NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
490029 | 2kqf | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -9.803 -11.517 -12.936 2 H2 GLY 1 2HT GLY 1 -8.984 -10.604 -14.099 3 H3 GLY 1 3HT GLY 1 -10.673 -10.627 -14.078 4 HA2 GLY 1 1HA GLY 1 -10.656 -9.563 -11.889 5 HA3 GLY 1 2HA GLY 1 -8.905 -9.453 -12.012 6 H GLY 2 H GLY 2 -8.142 -7.583 -12.751 7 HA2 GLY 2 2HA GLY 2 -9.678 -6.105 -14.761 8 HA3 GLY 2 1HA GLY 2 -9.277 -5.285 -13.259 9 H SER 3 H SER 3 -8.428 -4.286 -15.671 10 HA SER 3 HA SER 3 -5.532 -4.778 -15.527 11 HB2 SER 3 2HB SER 3 -7.089 -4.075 -18.024 12 HB3 SER 3 1HB SER 3 -5.368 -4.446 -17.921 13 HG SER 3 HG SER 3 -6.209 -6.532 -16.956 14 H MET 4 H MET 4 -4.207 -3.012 -15.712 15 HA MET 4 HA MET 4 -3.510 -0.880 -15.483 16 HB2 MET 4 2HB MET 4 -6.119 -0.237 -16.859 17 HB3 MET 4 1HB MET 4 -4.856 0.942 -16.529 18 HG2 MET 4 2HG MET 4 -3.312 -0.585 -17.861 19 HG3 MET 4 1HG MET 4 -4.777 -1.405 -18.396 20 HE1 MET 4 3HE MET 4 -3.963 2.438 -17.739 21 HE2 MET 4 1HE MET 4 -3.567 2.923 -19.387 22 HE3 MET 4 2HE MET 4 -2.562 1.740 -18.552 23 H ARG 5 H ARG 5 -3.572 -1.016 -13.235 24 HA ARG 5 HA ARG 5 -5.897 -0.320 -11.737 25 HB2 ARG 5 2HB ARG 5 -2.984 -0.566 -10.971 26 HB3 ARG 5 1HB ARG 5 -4.244 -0.143 -9.819 27 HG2 ARG 5 2HG ARG 5 -4.028 -2.412 -9.502 28 HG3 ARG 5 1HG ARG 5 -5.381 -2.322 -10.629 29 HD2 ARG 5 2HD ARG 5 -3.744 -2.671 -12.489 30 HD3 ARG 5 1HD ARG 5 -2.508 -2.965 -11.268 31 HE ARG 5 HE ARG 5 -4.540 -4.688 -10.648 32 HH11 ARG 5 1HH1 ARG 5 -2.535 -4.112 -13.466 33 HH12 ARG 5 2HH1 ARG 5 -2.630 -5.756 -14.016 34 HH21 ARG 5 1HH2 ARG 5 -4.666 -6.840 -11.374 35 HH22 ARG 5 2HH2 ARG 5 -3.841 -7.302 -12.831 36 HA PRO 6 HA PRO 6 -5.278 4.075 -12.135 37 HB2 PRO 6 2HB PRO 6 -7.432 4.596 -10.333 38 HB3 PRO 6 1HB PRO 6 -7.493 4.546 -12.096 39 HG2 PRO 6 2HG PRO 6 -8.760 2.723 -10.449 40 HG3 PRO 6 1HG PRO 6 -8.311 2.415 -12.129 41 HD2 PRO 6 2HD PRO 6 -6.880 1.684 -9.602 42 HD3 PRO 6 1HD PRO 6 -7.214 0.698 -11.042 43 HA PRO 7 HA PRO 7 -2.966 4.772 -8.283 44 HB2 PRO 7 2HB PRO 7 -1.834 7.040 -9.704 45 HB3 PRO 7 1HB PRO 7 -1.019 5.636 -9.026 46 HG2 PRO 7 2HG PRO 7 -1.259 6.037 -11.683 47 HG3 PRO 7 1HG PRO 7 -1.236 4.416 -10.964 48 HD2 PRO 7 2HD PRO 7 -3.573 6.022 -11.947 49 HD3 PRO 7 1HD PRO 7 -3.259 4.279 -12.099 50 H ILE 8 H ILE 8 -3.753 5.846 -6.654 51 HA ILE 8 HA ILE 8 -5.371 8.226 -7.076 52 HB ILE 8 HB ILE 8 -4.858 6.986 -4.404 53 HG12 ILE 8 2HG1 ILE 8 -6.940 5.965 -6.317 54 HG13 ILE 8 1HG1 ILE 8 -5.376 5.213 -6.145 55 HG21 ILE 8 1HG2 ILE 8 -6.176 9.043 -4.598 56 HG22 ILE 8 2HG2 ILE 8 -7.132 7.691 -3.991 57 HG23 ILE 8 3HG2 ILE 8 -7.293 8.197 -5.670 58 HD11 ILE 8 3HD1 ILE 8 -6.580 5.571 -3.580 59 HD12 ILE 8 1HD1 ILE 8 -6.035 4.091 -4.367 60 HD13 ILE 8 2HD1 ILE 8 -7.663 4.699 -4.664 61 H ILE 9 H ILE 9 -4.317 10.088 -7.074 62 HA ILE 9 HA ILE 9 -1.699 10.320 -5.927 63 HB ILE 9 HB ILE 9 -3.258 12.697 -6.847 64 HG12 ILE 9 2HG1 ILE 9 -3.608 10.866 -8.520 65 HG13 ILE 9 1HG1 ILE 9 -2.755 12.263 -9.159 66 HG21 ILE 9 1HG2 ILE 9 -1.080 13.120 -5.942 67 HG22 ILE 9 2HG2 ILE 9 -0.998 13.356 -7.689 68 HG23 ILE 9 3HG2 ILE 9 -0.359 11.877 -6.965 69 HD11 ILE 9 3HD1 ILE 9 -1.734 10.284 -10.002 70 HD12 ILE 9 1HD1 ILE 9 -1.576 9.613 -8.377 71 HD13 ILE 9 2HD1 ILE 9 -0.629 11.025 -8.844 72 H ILE 10 H ILE 10 -1.675 10.252 -3.736 73 HA ILE 10 HA ILE 10 -3.560 11.766 -2.135 74 HB ILE 10 HB ILE 10 -0.951 10.500 -1.213 75 HG12 ILE 10 2HG1 ILE 10 -3.439 9.151 -0.494 76 HG13 ILE 10 1HG1 ILE 10 -3.053 9.054 -2.185 77 HG21 ILE 10 1HG2 ILE 10 -2.311 10.396 0.975 78 HG22 ILE 10 2HG2 ILE 10 -3.320 11.630 0.223 79 HG23 ILE 10 3HG2 ILE 10 -1.604 11.936 0.488 80 HD11 ILE 10 3HD1 ILE 10 -0.852 8.165 -1.624 81 HD12 ILE 10 1HD1 ILE 10 -2.169 7.159 -1.018 82 HD13 ILE 10 2HD1 ILE 10 -1.301 8.231 0.080 83 H HIS 11 H HIS 11 -2.595 13.399 -0.523 84 HA HIS 11 HA HIS 11 -0.208 14.742 -1.491 85 HB2 HIS 11 2HB HIS 11 -2.054 15.844 -2.706 86 HB3 HIS 11 1HB HIS 11 -2.882 16.149 -1.183 87 HD2 HIS 11 2HD HIS 11 0.580 17.201 -2.786 88 HE1 HIS 11 1HE HIS 11 -0.908 20.300 -0.317 89 HE2 HIS 11 2HE HIS 11 0.874 19.663 -2.001 90 H ARG 12 H ARG 12 0.999 14.868 0.244 91 HA ARG 12 HA ARG 12 0.029 14.595 2.885 92 HB2 ARG 12 2HB ARG 12 2.306 13.955 2.087 93 HB3 ARG 12 1HB ARG 12 2.696 15.663 1.952 94 HG2 ARG 12 2HG ARG 12 2.463 15.957 4.324 95 HG3 ARG 12 1HG ARG 12 1.902 14.291 4.506 96 HD2 ARG 12 2HD ARG 12 4.037 13.469 3.696 97 HD3 ARG 12 1HD ARG 12 4.600 15.121 3.465 98 HE ARG 12 HE ARG 12 3.836 14.128 6.140 99 HH11 ARG 12 1HH1 ARG 12 6.224 15.577 4.008 100 HH12 ARG 12 2HH1 ARG 12 7.331 15.922 5.296 101 HH21 ARG 12 1HH2 ARG 12 5.281 14.621 7.821 102 HH22 ARG 12 2HH2 ARG 12 6.796 15.385 7.460 103 H ALA 13 H ALA 13 -1.392 16.141 3.509 104 HA ALA 13 HA ALA 13 -1.009 18.923 2.978 105 HB1 ALA 13 1HB ALA 13 -3.245 18.129 3.130 106 HB2 ALA 13 2HB ALA 13 -2.974 19.187 4.515 107 HB3 ALA 13 3HB ALA 13 -2.956 17.436 4.726 108 H GLY 14 H GLY 14 1.293 18.385 4.051 109 HA2 GLY 14 2HA GLY 14 2.757 19.175 5.631 110 HA3 GLY 14 1HA GLY 14 1.410 20.020 6.375 111 H LYS 15 H LYS 15 0.902 16.662 6.019 112 HA LYS 15 HA LYS 15 1.964 16.109 8.679 113 HB2 LYS 15 2HB LYS 15 -0.315 14.859 9.083 114 HB3 LYS 15 1HB LYS 15 -0.145 16.569 9.444 115 HG2 LYS 15 2HG LYS 15 -1.464 17.215 7.681 116 HG3 LYS 15 1HG LYS 15 -1.121 15.754 6.753 117 HD2 LYS 15 2HD LYS 15 -3.352 15.523 7.464 118 HD3 LYS 15 1HD LYS 15 -2.412 14.496 8.545 119 HE2 LYS 15 2HE LYS 15 -2.427 16.288 10.228 120 HE3 LYS 15 1HE LYS 15 -3.410 17.277 9.148 121 HZ1 LYS 15 3HZ LYS 15 -5.109 15.514 9.225 122 HZ2 LYS 15 1HZ LYS 15 -4.813 16.201 10.741 123 HZ3 LYS 15 2HZ LYS 15 -4.178 14.683 10.367 124 H LYS 16 H LYS 16 -0.310 14.228 6.672 125 HA LYS 16 HA LYS 16 1.785 12.419 5.856 126 HB2 LYS 16 2HB LYS 16 0.427 10.472 6.908 127 HB3 LYS 16 1HB LYS 16 1.530 11.387 7.915 128 HG2 LYS 16 2HG LYS 16 -0.473 12.773 8.613 129 HG3 LYS 16 1HG LYS 16 -1.462 11.534 7.835 130 HD2 LYS 16 2HD LYS 16 -0.650 9.851 9.302 131 HD3 LYS 16 1HD LYS 16 0.596 10.921 9.942 132 HE2 LYS 16 2HE LYS 16 -1.148 12.352 10.902 133 HE3 LYS 16 1HE LYS 16 -2.382 11.260 10.282 134 HZ1 LYS 16 3HZ LYS 16 -1.402 11.087 12.727 135 HZ2 LYS 16 1HZ LYS 16 -0.308 10.067 11.938 136 HZ3 LYS 16 2HZ LYS 16 -1.969 9.744 11.875 137 H TYR 17 H TYR 17 0.622 10.361 4.845 138 HA TYR 17 HA TYR 17 -1.241 11.454 2.892 139 HB2 TYR 17 2HB TYR 17 -0.055 8.680 2.930 140 HB3 TYR 17 1HB TYR 17 -0.784 9.521 1.556 141 HD1 TYR 17 1HD TYR 17 2.195 9.267 3.685 142 HD2 TYR 17 2HD TYR 17 0.409 11.265 0.391 143 HE1 TYR 17 1HE TYR 17 4.378 10.191 3.079 144 HE2 TYR 17 2HE TYR 17 2.604 12.201 -0.234 145 HH TYR 17 HH TYR 17 4.758 12.490 0.444 146 H GLY 18 H GLY 18 -1.536 10.238 5.821 147 HA2 GLY 18 2HA GLY 18 -3.217 9.340 7.044 148 HA3 GLY 18 1HA GLY 18 -4.251 9.984 5.805 149 H PHE 19 H PHE 19 -1.992 7.264 5.701 150 HA PHE 19 HA PHE 19 -4.109 5.363 5.928 151 HB2 PHE 19 2HB PHE 19 -4.172 4.422 3.787 152 HB3 PHE 19 1HB PHE 19 -4.285 6.131 3.535 153 HD1 PHE 19 2HD PHE 19 -2.067 7.361 2.943 154 HD2 PHE 19 1HD PHE 19 -2.617 3.152 2.691 155 HE1 PHE 19 2HE PHE 19 -0.137 7.197 1.413 156 HE2 PHE 19 1HE PHE 19 -0.695 2.982 1.168 157 HZ PHE 19 HZ PHE 19 0.543 5.007 0.526 158 H THR 20 H THR 20 -3.560 3.336 6.145 159 HA THR 20 HA THR 20 -0.805 2.860 7.040 160 HB THR 20 HB THR 20 -3.280 1.164 7.384 161 HG1 THR 20 1HG THR 20 -2.998 3.439 8.365 162 HG21 THR 20 3HG2 THR 20 -1.146 -0.076 7.646 163 HG22 THR 20 1HG2 THR 20 -2.067 0.031 9.148 164 HG23 THR 20 2HG2 THR 20 -0.664 1.073 8.894 165 H LEU 21 H LEU 21 0.651 1.819 5.748 166 HA LEU 21 HA LEU 21 -0.341 0.109 3.601 167 HB2 LEU 21 2HB LEU 21 1.722 1.878 3.556 168 HB3 LEU 21 1HB LEU 21 2.588 0.419 3.953 169 HG LEU 21 HG LEU 21 2.444 -0.368 1.869 170 HD11 LEU 21 1HD1 LEU 21 -0.380 0.675 1.710 171 HD12 LEU 21 2HD1 LEU 21 0.111 -0.982 2.064 172 HD13 LEU 21 3HD1 LEU 21 0.422 -0.292 0.473 173 HD21 LEU 21 3HD2 LEU 21 2.311 1.294 0.156 174 HD22 LEU 21 1HD2 LEU 21 3.091 1.994 1.572 175 HD23 LEU 21 2HD2 LEU 21 1.407 2.375 1.216 176 H ARG 22 H ARG 22 -1.077 -1.627 4.873 177 HA ARG 22 HA ARG 22 0.581 -2.996 6.752 178 HB2 ARG 22 2HB ARG 22 -2.081 -3.008 6.178 179 HB3 ARG 22 1HB ARG 22 -1.587 -4.512 5.419 180 HG2 ARG 22 2HG ARG 22 -2.277 -5.042 7.612 181 HG3 ARG 22 1HG ARG 22 -0.514 -5.144 7.598 182 HD2 ARG 22 2HD ARG 22 -0.348 -2.956 8.615 183 HD3 ARG 22 1HD ARG 22 -2.100 -2.759 8.539 184 HE ARG 22 HE ARG 22 -1.442 -5.098 9.977 185 HH11 ARG 22 1HH1 ARG 22 -1.420 -1.607 10.288 186 HH12 ARG 22 2HH1 ARG 22 -1.557 -1.637 12.013 187 HH21 ARG 22 1HH2 ARG 22 -1.623 -5.133 12.243 188 HH22 ARG 22 2HH2 ARG 22 -1.635 -3.634 13.127 189 H ALA 23 H ALA 23 2.238 -4.324 6.296 190 HA ALA 23 HA ALA 23 2.671 -5.304 3.598 191 HB1 ALA 23 1HB ALA 23 4.346 -5.760 6.059 192 HB2 ALA 23 2HB ALA 23 4.504 -4.355 5.002 193 HB3 ALA 23 3HB ALA 23 4.839 -5.972 4.378 194 H ILE 24 H ILE 24 2.380 -7.407 2.926 195 HA ILE 24 HA ILE 24 2.208 -9.514 4.911 196 HB ILE 24 HB ILE 24 0.015 -10.293 3.650 197 HG12 ILE 24 2HG1 ILE 24 -0.339 -7.292 3.706 198 HG13 ILE 24 1HG1 ILE 24 0.007 -8.205 2.238 199 HG21 ILE 24 1HG2 ILE 24 0.088 -8.352 5.952 200 HG22 ILE 24 2HG2 ILE 24 0.240 -10.107 6.043 201 HG23 ILE 24 3HG2 ILE 24 -1.284 -9.379 5.533 202 HD11 ILE 24 3HD1 ILE 24 -2.063 -9.470 2.554 203 HD12 ILE 24 1HD1 ILE 24 -2.363 -7.737 2.431 204 HD13 ILE 24 2HD1 ILE 24 -2.411 -8.531 4.006 205 H ARG 25 H ARG 25 3.740 -10.785 4.060 206 HA ARG 25 HA ARG 25 3.916 -11.334 1.244 207 HB2 ARG 25 2HB ARG 25 5.226 -12.688 3.619 208 HB3 ARG 25 1HB ARG 25 5.615 -13.027 1.943 209 HG2 ARG 25 2HG ARG 25 6.434 -10.788 1.629 210 HG3 ARG 25 1HG ARG 25 5.970 -10.364 3.279 211 HD2 ARG 25 2HD ARG 25 7.904 -12.564 2.592 212 HD3 ARG 25 1HD ARG 25 8.385 -10.918 2.965 213 HE ARG 25 HE ARG 25 6.822 -12.501 4.897 214 HH11 ARG 25 1HH1 ARG 25 9.709 -10.678 4.083 215 HH12 ARG 25 2HH1 ARG 25 10.312 -10.667 5.707 216 HH21 ARG 25 1HH2 ARG 25 7.600 -12.504 7.016 217 HH22 ARG 25 2HH2 ARG 25 9.107 -11.717 7.393 218 H VAL 26 H VAL 26 2.170 -12.356 0.420 219 HA VAL 26 HA VAL 26 0.739 -14.332 1.932 220 HB VAL 26 HB VAL 26 -0.536 -14.638 -0.263 221 HG11 VAL 26 1HG1 VAL 26 -1.688 -12.410 0.035 222 HG12 VAL 26 2HG1 VAL 26 -0.444 -12.021 1.221 223 HG13 VAL 26 3HG1 VAL 26 -1.525 -13.387 1.494 224 HG21 VAL 26 3HG2 VAL 26 -0.333 -12.892 -1.911 225 HG22 VAL 26 1HG2 VAL 26 1.220 -13.704 -1.721 226 HG23 VAL 26 2HG2 VAL 26 0.954 -12.124 -0.983 227 H TYR 27 H TYR 27 1.705 -16.210 2.277 228 HA TYR 27 HA TYR 27 3.358 -17.496 0.311 229 HB2 TYR 27 2HB TYR 27 2.367 -18.236 3.047 230 HB3 TYR 27 1HB TYR 27 3.071 -19.468 2.014 231 HD1 TYR 27 2HD TYR 27 3.782 -16.218 3.670 232 HD2 TYR 27 1HD TYR 27 5.400 -19.697 1.833 233 HE1 TYR 27 2HE TYR 27 6.024 -15.584 4.455 234 HE2 TYR 27 1HE TYR 27 7.645 -19.076 2.617 235 HH TYR 27 HH TYR 27 8.877 -17.125 3.347 236 H MET 28 H MET 28 2.877 -19.480 -0.750 237 HA MET 28 HA MET 28 0.054 -19.728 -1.402 238 HB2 MET 28 2HB MET 28 2.358 -21.275 -2.579 239 HB3 MET 28 1HB MET 28 0.754 -21.096 -3.237 240 HG2 MET 28 2HG MET 28 2.808 -18.997 -2.971 241 HG3 MET 28 1HG MET 28 2.272 -19.756 -4.450 242 HE1 MET 28 3HE MET 28 0.914 -16.131 -4.879 243 HE2 MET 28 1HE MET 28 1.895 -17.420 -5.574 244 HE3 MET 28 2HE MET 28 2.432 -16.594 -4.111 245 H GLY 29 H GLY 29 2.001 -20.990 0.904 246 HA2 GLY 29 2HA GLY 29 0.375 -22.721 2.097 247 HA3 GLY 29 1HA GLY 29 1.000 -23.716 0.789 248 H ASP 30 H ASP 30 2.366 -25.101 1.715 249 HA ASP 30 HA ASP 30 4.064 -24.305 3.920 250 HB2 ASP 30 2HB ASP 30 2.983 -26.564 3.775 251 HB3 ASP 30 1HB ASP 30 4.022 -26.922 2.399 252 H SER 31 H SER 31 4.237 -24.396 0.527 253 HA SER 31 HA SER 31 7.026 -24.838 0.227 254 HB2 SER 31 2HB SER 31 6.346 -23.547 -2.047 255 HB3 SER 31 1HB SER 31 6.022 -25.257 -1.772 256 HG SER 31 HG SER 31 4.173 -24.028 -2.500 257 H ASP 32 H ASP 32 8.485 -23.181 -0.759 258 HA ASP 32 HA ASP 32 8.576 -20.874 0.954 259 HB2 ASP 32 2HB ASP 32 10.540 -22.320 0.110 260 HB3 ASP 32 1HB ASP 32 10.419 -21.378 -1.370 261 H VAL 33 H VAL 33 6.931 -21.391 -1.865 262 HA VAL 33 HA VAL 33 7.506 -18.897 -3.157 263 HB VAL 33 HB VAL 33 6.847 -20.639 -4.613 264 HG11 VAL 33 1HG1 VAL 33 5.647 -22.085 -3.117 265 HG12 VAL 33 2HG1 VAL 33 4.624 -21.716 -4.504 266 HG13 VAL 33 3HG1 VAL 33 4.345 -20.907 -2.962 267 HG21 VAL 33 3HG2 VAL 33 6.075 -18.487 -5.317 268 HG22 VAL 33 1HG2 VAL 33 4.623 -18.631 -4.325 269 HG23 VAL 33 2HG2 VAL 33 4.844 -19.683 -5.724 270 H TYR 34 H TYR 34 6.673 -17.033 -2.800 271 HA TYR 34 HA TYR 34 4.013 -16.640 -1.771 272 HB2 TYR 34 2HB TYR 34 4.657 -15.406 0.225 273 HB3 TYR 34 1HB TYR 34 5.311 -17.037 0.310 274 HD1 TYR 34 1HD TYR 34 6.149 -13.478 -0.128 275 HD2 TYR 34 2HD TYR 34 7.680 -17.421 0.283 276 HE1 TYR 34 1HE TYR 34 8.389 -12.559 0.301 277 HE2 TYR 34 2HE TYR 34 9.918 -16.513 0.705 278 HH TYR 34 HH TYR 34 11.200 -14.579 0.396 279 H THR 35 H THR 35 3.323 -14.442 -1.938 280 HA THR 35 HA THR 35 5.129 -12.792 -3.586 281 HB THR 35 HB THR 35 2.471 -11.818 -3.770 282 HG1 THR 35 1HG THR 35 1.270 -13.565 -4.004 283 HG21 THR 35 3HG2 THR 35 4.217 -13.315 -5.726 284 HG22 THR 35 1HG2 THR 35 4.161 -11.568 -5.490 285 HG23 THR 35 2HG2 THR 35 2.764 -12.413 -6.157 286 H VAL 36 H VAL 36 5.706 -10.845 -2.825 287 HA VAL 36 HA VAL 36 4.806 -10.077 -0.184 288 HB VAL 36 HB VAL 36 6.652 -8.448 -1.908 289 HG11 VAL 36 1HG1 VAL 36 7.548 -7.689 0.187 290 HG12 VAL 36 2HG1 VAL 36 6.556 -8.845 1.076 291 HG13 VAL 36 3HG1 VAL 36 5.794 -7.507 0.218 292 HG21 VAL 36 3HG2 VAL 36 7.506 -10.724 -1.974 293 HG22 VAL 36 1HG2 VAL 36 7.403 -10.831 -0.217 294 HG23 VAL 36 2HG2 VAL 36 8.537 -9.709 -0.966 295 H HIS 37 H HIS 37 2.745 -9.311 -0.266 296 HA HIS 37 HA HIS 37 2.205 -7.084 -2.112 297 HB2 HIS 37 2HB HIS 37 0.281 -8.982 -0.753 298 HB3 HIS 37 1HB HIS 37 -0.213 -7.571 -1.673 299 HD2 HIS 37 2HD HIS 37 -0.881 -10.752 -2.499 300 HE1 HIS 37 1HE HIS 37 1.593 -9.745 -5.779 301 HE2 HIS 37 2HE HIS 37 -0.316 -11.213 -4.989 302 H HIS 38 H HIS 38 0.342 -5.684 -1.146 303 HA HIS 38 HA HIS 38 0.613 -5.163 1.697 304 HB2 HIS 38 2HB HIS 38 1.290 -3.057 -0.381 305 HB3 HIS 38 1HB HIS 38 1.136 -2.768 1.347 306 HD2 HIS 38 2HD HIS 38 3.768 -3.587 -1.201 307 HE1 HIS 38 1HE HIS 38 5.390 -4.598 2.566 308 HE2 HIS 38 2HE HIS 38 5.829 -4.531 0.077 309 H MET 39 H MET 39 -1.091 -3.777 2.463 310 HA MET 39 HA MET 39 -3.173 -3.044 0.548 311 HB2 MET 39 2HB MET 39 -3.597 -5.017 2.807 312 HB3 MET 39 1HB MET 39 -4.917 -4.159 2.028 313 HG2 MET 39 2HG MET 39 -3.851 -5.183 -0.148 314 HG3 MET 39 1HG MET 39 -3.193 -6.347 0.995 315 HE1 MET 39 3HE MET 39 -5.210 -6.899 3.135 316 HE2 MET 39 1HE MET 39 -4.586 -8.229 2.159 317 HE3 MET 39 2HE MET 39 -6.320 -8.082 2.443 318 H VAL 40 H VAL 40 -4.438 -1.337 1.256 319 HA VAL 40 HA VAL 40 -3.376 0.123 3.469 320 HB VAL 40 HB VAL 40 -4.105 1.459 1.662 321 HG11 VAL 40 1HG1 VAL 40 -5.622 0.151 0.475 322 HG12 VAL 40 2HG1 VAL 40 -6.576 1.515 1.059 323 HG13 VAL 40 3HG1 VAL 40 -6.682 -0.047 1.869 324 HG21 VAL 40 3HG2 VAL 40 -5.484 3.041 2.740 325 HG22 VAL 40 1HG2 VAL 40 -4.588 2.227 4.024 326 HG23 VAL 40 2HG2 VAL 40 -6.272 1.802 3.717 327 H TRP 41 H TRP 41 -3.683 -0.627 5.359 328 HA TRP 41 HA TRP 41 -5.888 -2.178 6.227 329 HB2 TRP 41 2HB TRP 41 -3.431 -1.985 7.098 330 HB3 TRP 41 1HB TRP 41 -4.081 -0.699 8.094 331 HD1 TRP 41 HD TRP 41 -4.344 -1.630 10.427 332 HE1 TRP 41 1HE TRP 41 -5.354 -3.744 11.474 333 HE3 TRP 41 3HE TRP 41 -5.529 -4.146 6.139 334 HZ2 TRP 41 2HZ TRP 41 -6.519 -6.173 10.585 335 HZ3 TRP 41 3HZ TRP 41 -6.590 -6.353 6.323 336 HH2 TRP 41 HH TRP 41 -7.075 -7.345 8.500 337 H HIS 42 H HIS 42 -4.996 1.167 6.527 338 HA HIS 42 HA HIS 42 -7.711 1.895 7.220 339 HB2 HIS 42 2HB HIS 42 -6.209 1.244 9.306 340 HB3 HIS 42 1HB HIS 42 -5.641 2.887 9.114 341 HD2 HIS 42 2HD HIS 42 -7.547 4.888 9.613 342 HE1 HIS 42 1HE HIS 42 -10.266 2.222 11.456 343 HE2 HIS 42 2HE HIS 42 -9.560 4.644 11.231 344 H VAL 43 H VAL 43 -8.149 3.719 6.206 345 HA VAL 43 HA VAL 43 -5.943 5.609 5.783 346 HB VAL 43 HB VAL 43 -6.431 4.669 3.638 347 HG11 VAL 43 1HG1 VAL 43 -8.579 3.751 3.959 348 HG12 VAL 43 2HG1 VAL 43 -8.676 4.903 2.629 349 HG13 VAL 43 3HG1 VAL 43 -9.281 5.345 4.226 350 HG21 VAL 43 3HG2 VAL 43 -5.980 7.059 3.683 351 HG22 VAL 43 1HG2 VAL 43 -7.709 7.383 3.846 352 HG23 VAL 43 2HG2 VAL 43 -7.094 6.635 2.374 353 H GLU 44 H GLU 44 -6.204 7.497 6.569 354 HA GLU 44 HA GLU 44 -8.361 8.189 8.228 355 HB2 GLU 44 2HB GLU 44 -5.862 9.449 7.260 356 HB3 GLU 44 1HB GLU 44 -7.091 10.515 7.906 357 HG2 GLU 44 2HG GLU 44 -7.091 9.257 9.998 358 HG3 GLU 44 1HG GLU 44 -5.862 8.177 9.340 359 H ASP 45 H ASP 45 -10.320 8.639 7.471 360 HA ASP 45 HA ASP 45 -10.707 9.943 4.927 361 HB2 ASP 45 2HB ASP 45 -13.131 9.723 5.472 362 HB3 ASP 45 1HB ASP 45 -12.265 8.195 5.534 363 H GLY 46 H GLY 46 -9.217 11.590 6.378 364 HA2 GLY 46 2HA GLY 46 -11.110 13.722 7.121 365 HA3 GLY 46 1HA GLY 46 -9.698 13.385 8.105 366 H GLY 47 H GLY 47 -9.107 13.020 4.740 367 HA2 GLY 47 2HA GLY 47 -8.804 15.495 3.719 368 HA3 GLY 47 1HA GLY 47 -7.467 15.410 4.845 369 HA PRO 48 HA PRO 48 -4.744 13.494 2.003 370 HB2 PRO 48 2HB PRO 48 -4.574 11.090 3.745 371 HB3 PRO 48 1HB PRO 48 -3.284 12.105 3.092 372 HG2 PRO 48 2HG PRO 48 -3.944 12.362 5.609 373 HG3 PRO 48 1HG PRO 48 -3.748 13.833 4.631 374 HD2 PRO 48 2HD PRO 48 -6.283 12.407 5.396 375 HD3 PRO 48 1HD PRO 48 -5.890 14.135 5.507 376 H ALA 49 H ALA 49 -4.435 10.408 2.217 377 HA ALA 49 HA ALA 49 -5.162 9.656 -0.246 378 HB1 ALA 49 1HB ALA 49 -4.268 7.718 0.332 379 HB2 ALA 49 2HB ALA 49 -5.494 7.411 1.570 380 HB3 ALA 49 3HB ALA 49 -4.075 8.391 1.957 381 H SER 50 H SER 50 -7.395 9.554 2.516 382 HA SER 50 HA SER 50 -9.358 7.981 1.250 383 HB2 SER 50 2HB SER 50 -9.233 9.759 3.597 384 HB3 SER 50 1HB SER 50 -10.832 9.494 2.914 385 HG SER 50 HG SER 50 -10.016 7.146 2.965 386 H GLU 51 H GLU 51 -9.213 11.524 1.636 387 HA GLU 51 HA GLU 51 -11.477 12.044 0.023 388 HB2 GLU 51 2HB GLU 51 -9.142 13.831 0.711 389 HB3 GLU 51 1HB GLU 51 -10.636 14.371 -0.042 390 HG2 GLU 51 2HG GLU 51 -10.715 12.931 2.571 391 HG3 GLU 51 1HG GLU 51 -10.313 14.647 2.506 392 H ALA 52 H ALA 52 -8.132 11.502 -0.662 393 HA ALA 52 HA ALA 52 -8.031 12.534 -3.277 394 HB1 ALA 52 1HB ALA 52 -6.427 10.140 -2.514 395 HB2 ALA 52 2HB ALA 52 -6.166 11.656 -1.651 396 HB3 ALA 52 3HB ALA 52 -5.943 11.586 -3.402 397 H GLY 53 H GLY 53 -9.294 9.571 -1.955 398 HA2 GLY 53 2HA GLY 53 -11.088 8.663 -3.493 399 HA3 GLY 53 1HA GLY 53 -9.796 8.568 -4.674 400 H LEU 54 H LEU 54 -8.273 7.866 -1.893 401 HA LEU 54 HA LEU 54 -8.154 5.088 -2.513 402 HB2 LEU 54 2HB LEU 54 -6.381 6.673 -1.371 403 HB3 LEU 54 1HB LEU 54 -7.142 6.098 0.092 404 HG LEU 54 HG LEU 54 -5.887 4.339 -2.017 405 HD11 LEU 54 1HD1 LEU 54 -4.153 5.519 -0.888 406 HD12 LEU 54 2HD1 LEU 54 -4.223 3.890 -0.212 407 HD13 LEU 54 3HD1 LEU 54 -4.914 5.247 0.679 408 HD21 LEU 54 3HD2 LEU 54 -6.784 3.579 0.734 409 HD22 LEU 54 1HD2 LEU 54 -6.275 2.522 -0.583 410 HD23 LEU 54 2HD2 LEU 54 -7.799 3.402 -0.694 411 H ARG 55 H ARG 55 -9.648 3.717 -2.064 412 HA ARG 55 HA ARG 55 -11.386 4.112 0.238 413 HB2 ARG 55 2HB ARG 55 -12.666 2.185 -0.714 414 HB3 ARG 55 1HB ARG 55 -12.563 3.577 -1.779 415 HG2 ARG 55 2HG ARG 55 -11.972 2.124 -3.355 416 HG3 ARG 55 1HG ARG 55 -10.404 2.068 -2.548 417 HD2 ARG 55 2HD ARG 55 -11.343 -0.174 -2.960 418 HD3 ARG 55 1HD ARG 55 -11.091 0.153 -1.248 419 HE ARG 55 HE ARG 55 -13.631 0.817 -1.461 420 HH11 ARG 55 1HH1 ARG 55 -12.002 -1.914 -2.930 421 HH12 ARG 55 2HH1 ARG 55 -13.386 -2.954 -2.820 422 HH21 ARG 55 1HH2 ARG 55 -15.457 -0.527 -1.355 423 HH22 ARG 55 2HH2 ARG 55 -15.359 -2.160 -1.935 424 H GLN 56 H GLN 56 -10.930 3.211 2.106 425 HA GLN 56 HA GLN 56 -8.798 1.614 2.730 426 HB2 GLN 56 2HB GLN 56 -10.341 2.819 4.295 427 HB3 GLN 56 1HB GLN 56 -11.444 1.479 4.144 428 HG2 GLN 56 2HG GLN 56 -10.046 0.083 5.255 429 HG3 GLN 56 1HG GLN 56 -8.625 1.068 4.984 430 HE21 GLN 56 1HE2 GLN 56 -9.952 -0.025 7.452 431 HE22 GLN 56 2HE2 GLN 56 -10.130 1.353 8.483 432 H GLY 57 H GLY 57 -8.350 -0.541 2.906 433 HA2 GLY 57 2HA GLY 57 -8.807 -2.846 2.891 434 HA3 GLY 57 1HA GLY 57 -10.427 -2.497 2.309 435 H ASP 58 H ASP 58 -8.009 -0.848 0.602 436 HA ASP 58 HA ASP 58 -8.389 -2.600 -1.710 437 HB2 ASP 58 2HB ASP 58 -8.489 0.086 -1.542 438 HB3 ASP 58 1HB ASP 58 -6.794 -0.127 -1.975 439 H LEU 59 H LEU 59 -6.672 -3.327 -2.972 440 HA LEU 59 HA LEU 59 -4.227 -3.820 -1.438 441 HB2 LEU 59 2HB LEU 59 -5.151 -5.864 -2.169 442 HB3 LEU 59 1HB LEU 59 -5.542 -5.221 -3.750 443 HG LEU 59 HG LEU 59 -2.915 -5.016 -3.952 444 HD11 LEU 59 1HD1 LEU 59 -2.368 -5.732 -1.716 445 HD12 LEU 59 2HD1 LEU 59 -1.828 -6.961 -2.862 446 HD13 LEU 59 3HD1 LEU 59 -3.300 -7.214 -1.923 447 HD21 LEU 59 3HD2 LEU 59 -4.231 -6.293 -5.479 448 HD22 LEU 59 1HD2 LEU 59 -4.521 -7.540 -4.267 449 HD23 LEU 59 2HD2 LEU 59 -2.902 -7.311 -4.924 450 H ILE 60 H ILE 60 -2.349 -2.948 -2.025 451 HA ILE 60 HA ILE 60 -2.367 -1.075 -4.243 452 HB ILE 60 HB ILE 60 -0.270 -1.618 -2.129 453 HG12 ILE 60 2HG1 ILE 60 -0.922 0.812 -1.540 454 HG13 ILE 60 1HG1 ILE 60 -2.356 0.523 -2.515 455 HG21 ILE 60 1HG2 ILE 60 0.850 0.404 -2.979 456 HG22 ILE 60 2HG2 ILE 60 -0.313 0.481 -4.305 457 HG23 ILE 60 3HG2 ILE 60 0.801 -0.882 -4.183 458 HD11 ILE 60 3HD1 ILE 60 -1.556 -1.094 -0.106 459 HD12 ILE 60 1HD1 ILE 60 -3.048 -1.246 -1.034 460 HD13 ILE 60 2HD1 ILE 60 -2.733 0.220 -0.104 461 H THR 61 H THR 61 -1.595 -1.524 -6.167 462 HA THR 61 HA THR 61 -0.047 -3.982 -6.527 463 HB THR 61 HB THR 61 -0.699 -3.843 -8.875 464 HG1 THR 61 1HG THR 61 -0.861 -1.739 -9.406 465 HG21 THR 61 3HG2 THR 61 -3.121 -3.255 -7.176 466 HG22 THR 61 1HG2 THR 61 -2.277 -4.807 -7.164 467 HG23 THR 61 2HG2 THR 61 -3.046 -4.233 -8.644 468 H HIS 62 H HIS 62 0.006 -0.518 -7.144 469 HA HIS 62 HA HIS 62 2.891 -0.642 -7.629 470 HB2 HIS 62 2HB HIS 62 0.981 0.879 -9.420 471 HB3 HIS 62 1HB HIS 62 2.727 0.855 -9.561 472 HD2 HIS 62 2HD HIS 62 3.792 -1.566 -10.597 473 HE1 HIS 62 1HE HIS 62 0.027 -2.905 -11.990 474 HE2 HIS 62 2HE HIS 62 2.509 -3.402 -11.914 475 H VAL 63 H VAL 63 3.909 1.488 -7.472 476 HA VAL 63 HA VAL 63 2.303 3.577 -6.246 477 HB VAL 63 HB VAL 63 3.165 2.304 -4.350 478 HG11 VAL 63 1HG1 VAL 63 5.533 2.148 -3.860 479 HG12 VAL 63 2HG1 VAL 63 5.918 2.958 -5.379 480 HG13 VAL 63 3HG1 VAL 63 5.167 1.362 -5.396 481 HG21 VAL 63 3HG2 VAL 63 4.167 5.074 -4.854 482 HG22 VAL 63 1HG2 VAL 63 4.558 4.253 -3.340 483 HG23 VAL 63 2HG2 VAL 63 2.873 4.525 -3.788 484 H ASN 64 H ASN 64 2.656 5.328 -7.390 485 HA ASN 64 HA ASN 64 3.645 6.941 -8.651 486 HB2 ASN 64 2HB ASN 64 5.496 6.303 -6.575 487 HB3 ASN 64 1HB ASN 64 6.404 6.634 -8.045 488 HD21 ASN 64 1HD2 ASN 64 7.236 8.536 -7.208 489 HD22 ASN 64 2HD2 ASN 64 6.275 9.961 -7.011 490 H GLY 65 H GLY 65 3.531 4.121 -9.631 491 HA2 GLY 65 2HA GLY 65 4.003 3.226 -11.725 492 HA3 GLY 65 1HA GLY 65 5.147 4.532 -11.988 493 H GLU 66 H GLU 66 5.040 2.282 -9.309 494 HA GLU 66 HA GLU 66 7.315 0.809 -10.251 495 HB2 GLU 66 2HB GLU 66 7.782 2.985 -8.781 496 HB3 GLU 66 1HB GLU 66 7.471 1.848 -7.482 497 HG2 GLU 66 2HG GLU 66 9.863 2.043 -8.010 498 HG3 GLU 66 1HG GLU 66 9.244 0.407 -8.228 499 HA PRO 67 HA PRO 67 4.413 -2.233 -8.586 500 HB2 PRO 67 2HB PRO 67 6.489 -4.168 -8.786 501 HB3 PRO 67 1HB PRO 67 5.131 -3.930 -9.883 502 HG2 PRO 67 2HG PRO 67 7.926 -3.027 -10.128 503 HG3 PRO 67 1HG PRO 67 6.723 -3.335 -11.392 504 HD2 PRO 67 2HD PRO 67 7.481 -0.848 -10.671 505 HD3 PRO 67 1HD PRO 67 5.856 -1.193 -11.256 506 H VAL 68 H VAL 68 4.061 -2.657 -6.609 507 HA VAL 68 HA VAL 68 6.104 -2.236 -4.593 508 HB VAL 68 HB VAL 68 4.312 -2.384 -2.943 509 HG11 VAL 68 1HG1 VAL 68 4.683 -0.219 -3.902 510 HG12 VAL 68 2HG1 VAL 68 2.950 -0.448 -3.679 511 HG13 VAL 68 3HG1 VAL 68 3.663 -0.605 -5.286 512 HG21 VAL 68 3HG2 VAL 68 2.954 -4.085 -3.993 513 HG22 VAL 68 1HG2 VAL 68 2.522 -2.973 -5.291 514 HG23 VAL 68 2HG2 VAL 68 1.978 -2.659 -3.640 515 H HIS 69 H HIS 69 4.756 -4.602 -6.344 516 HA HIS 69 HA HIS 69 4.568 -6.823 -4.737 517 HB2 HIS 69 2HB HIS 69 4.991 -6.212 -7.623 518 HB3 HIS 69 1HB HIS 69 5.126 -7.855 -7.079 519 HD2 HIS 69 2HD HIS 69 2.416 -5.543 -5.562 520 HE1 HIS 69 1HE HIS 69 0.533 -8.392 -8.065 521 HE2 HIS 69 2HE HIS 69 0.185 -6.698 -6.214 522 H GLY 70 H GLY 70 6.272 -7.063 -3.310 523 HA2 GLY 70 2HA GLY 70 8.264 -8.540 -3.207 524 HA3 GLY 70 1HA GLY 70 8.903 -7.603 -4.551 525 H LEU 71 H LEU 71 7.534 -5.233 -3.026 526 HA LEU 71 HA LEU 71 9.962 -4.371 -1.754 527 HB2 LEU 71 2HB LEU 71 7.226 -3.097 -1.854 528 HB3 LEU 71 1HB LEU 71 8.659 -2.331 -1.203 529 HG LEU 71 HG LEU 71 8.112 -3.042 -4.077 530 HD11 LEU 71 1HD1 LEU 71 8.359 -0.650 -4.430 531 HD12 LEU 71 2HD1 LEU 71 8.683 -0.414 -2.713 532 HD13 LEU 71 3HD1 LEU 71 7.096 -0.972 -3.241 533 HD21 LEU 71 3HD2 LEU 71 10.409 -3.597 -3.685 534 HD22 LEU 71 1HD2 LEU 71 10.671 -2.093 -2.801 535 HD23 LEU 71 2HD2 LEU 71 10.348 -2.053 -4.534 536 H VAL 72 H VAL 72 10.362 -4.078 0.412 537 HA VAL 72 HA VAL 72 8.841 -5.741 2.197 538 HB VAL 72 HB VAL 72 11.453 -5.088 2.106 539 HG11 VAL 72 1HG1 VAL 72 10.424 -3.395 4.375 540 HG12 VAL 72 2HG1 VAL 72 11.007 -2.761 2.837 541 HG13 VAL 72 3HG1 VAL 72 12.104 -3.641 3.900 542 HG21 VAL 72 3HG2 VAL 72 10.357 -6.936 3.346 543 HG22 VAL 72 1HG2 VAL 72 10.042 -5.813 4.667 544 HG23 VAL 72 2HG2 VAL 72 11.700 -6.199 4.215 545 H HIS 73 H HIS 73 8.323 -4.851 4.429 546 HA HIS 73 HA HIS 73 6.132 -3.286 4.483 547 HB2 HIS 73 2HB HIS 73 7.386 -4.622 6.350 548 HB3 HIS 73 1HB HIS 73 8.091 -3.068 6.735 549 HD1 HIS 73 1HD HIS 73 5.391 -5.116 7.771 550 HD2 HIS 73 2HD HIS 73 5.840 -1.047 7.052 551 HE1 HIS 73 1HE HIS 73 3.543 -3.960 9.047 552 H THR 74 H THR 74 9.430 -2.099 5.026 553 HA THR 74 HA THR 74 8.473 0.619 5.273 554 HB THR 74 HB THR 74 10.640 1.165 6.039 555 HG1 THR 74 1HG THR 74 12.284 -0.670 5.860 556 HG21 THR 74 3HG2 THR 74 9.458 -0.103 7.683 557 HG22 THR 74 1HG2 THR 74 11.120 -0.696 7.686 558 HG23 THR 74 2HG2 THR 74 9.851 -1.627 6.881 559 H GLU 75 H GLU 75 9.614 -1.355 2.719 560 HA GLU 75 HA GLU 75 10.970 0.635 1.213 561 HB2 GLU 75 2HB GLU 75 9.923 -2.086 0.674 562 HB3 GLU 75 1HB GLU 75 10.245 -1.040 -0.697 563 HG2 GLU 75 2HG GLU 75 12.550 -0.706 0.172 564 HG3 GLU 75 1HG GLU 75 12.203 -1.919 1.401 565 H VAL 76 H VAL 76 7.613 -0.538 1.216 566 HA VAL 76 HA VAL 76 6.768 1.038 -0.974 567 HB VAL 76 HB VAL 76 4.457 0.751 -0.010 568 HG11 VAL 76 1HG1 VAL 76 5.429 -0.755 -1.651 569 HG12 VAL 76 2HG1 VAL 76 4.372 -1.611 -0.530 570 HG13 VAL 76 3HG1 VAL 76 6.122 -1.722 -0.350 571 HG21 VAL 76 3HG2 VAL 76 6.018 -0.200 2.272 572 HG22 VAL 76 1HG2 VAL 76 4.727 -1.299 1.781 573 HG23 VAL 76 2HG2 VAL 76 4.344 0.376 2.206 574 H VAL 77 H VAL 77 6.631 1.558 2.496 575 HA VAL 77 HA VAL 77 5.491 4.059 2.604 576 HB VAL 77 HB VAL 77 7.649 2.877 4.327 577 HG11 VAL 77 1HG1 VAL 77 6.204 5.444 4.522 578 HG12 VAL 77 2HG1 VAL 77 7.827 5.014 5.062 579 HG13 VAL 77 3HG1 VAL 77 6.424 4.531 6.014 580 HG21 VAL 77 3HG2 VAL 77 5.963 2.048 5.719 581 HG22 VAL 77 1HG2 VAL 77 5.400 1.703 4.084 582 HG23 VAL 77 2HG2 VAL 77 4.733 3.070 4.978 583 H GLU 78 H GLU 78 8.922 3.217 2.323 584 HA GLU 78 HA GLU 78 9.911 5.835 2.192 585 HB2 GLU 78 2HB GLU 78 10.966 3.183 1.328 586 HB3 GLU 78 1HB GLU 78 11.819 4.652 0.860 587 HG2 GLU 78 2HG GLU 78 11.526 5.199 3.420 588 HG3 GLU 78 1HG GLU 78 11.438 3.447 3.520 589 H LEU 79 H LEU 79 8.952 3.597 -0.365 590 HA LEU 79 HA LEU 79 9.628 5.084 -2.603 591 HB2 LEU 79 2HB LEU 79 8.121 2.787 -2.076 592 HB3 LEU 79 1HB LEU 79 7.014 3.852 -2.914 593 HG LEU 79 HG LEU 79 8.019 2.441 -4.549 594 HD11 LEU 79 1HD1 LEU 79 7.757 4.796 -5.189 595 HD12 LEU 79 2HD1 LEU 79 9.099 4.016 -6.026 596 HD13 LEU 79 3HD1 LEU 79 9.416 5.106 -4.678 597 HD21 LEU 79 3HD2 LEU 79 10.425 2.235 -4.840 598 HD22 LEU 79 1HD2 LEU 79 9.950 1.735 -3.216 599 HD23 LEU 79 2HD2 LEU 79 10.699 3.310 -3.469 600 H ILE 80 H ILE 80 6.813 5.323 -0.513 601 HA ILE 80 HA ILE 80 5.458 7.291 -2.049 602 HB ILE 80 HB ILE 80 5.151 6.197 0.731 603 HG12 ILE 80 2HG1 ILE 80 3.035 6.240 -1.379 604 HG13 ILE 80 1HG1 ILE 80 4.395 5.139 -1.582 605 HG21 ILE 80 1HG2 ILE 80 3.822 8.575 -0.483 606 HG22 ILE 80 2HG2 ILE 80 4.471 8.365 1.142 607 HG23 ILE 80 3HG2 ILE 80 2.965 7.569 0.684 608 HD11 ILE 80 3HD1 ILE 80 2.543 4.017 -0.533 609 HD12 ILE 80 1HD1 ILE 80 2.494 5.233 0.740 610 HD13 ILE 80 2HD1 ILE 80 3.884 4.158 0.604 611 H LEU 81 H LEU 81 7.369 7.436 0.967 612 HA LEU 81 HA LEU 81 7.232 10.205 1.366 613 HB2 LEU 81 2HB LEU 81 9.601 8.455 2.037 614 HB3 LEU 81 1HB LEU 81 9.147 9.964 2.806 615 HG LEU 81 HG LEU 81 7.516 7.431 2.938 616 HD11 LEU 81 1HD1 LEU 81 9.670 7.194 4.081 617 HD12 LEU 81 2HD1 LEU 81 8.321 7.230 5.217 618 HD13 LEU 81 3HD1 LEU 81 9.332 8.659 5.006 619 HD21 LEU 81 3HD2 LEU 81 6.135 9.363 3.203 620 HD22 LEU 81 1HD2 LEU 81 7.285 10.096 4.319 621 HD23 LEU 81 2HD2 LEU 81 6.393 8.651 4.796 622 H LYS 82 H LYS 82 9.352 8.251 -0.588 623 HA LYS 82 HA LYS 82 11.300 10.095 -1.315 624 HB2 LYS 82 2HB LYS 82 11.168 7.586 -1.700 625 HB3 LYS 82 1HB LYS 82 10.234 8.009 -3.109 626 HG2 LYS 82 2HG LYS 82 12.215 9.500 -3.747 627 HG3 LYS 82 1HG LYS 82 13.108 8.546 -2.559 628 HD2 LYS 82 2HD LYS 82 11.535 7.335 -4.819 629 HD3 LYS 82 1HD LYS 82 13.252 7.734 -4.940 630 HE2 LYS 82 2HE LYS 82 13.458 6.312 -2.772 631 HE3 LYS 82 1HE LYS 82 11.894 5.660 -3.262 632 HZ1 LYS 82 3HZ LYS 82 14.370 5.636 -4.903 633 HZ2 LYS 82 1HZ LYS 82 12.873 5.002 -5.368 634 HZ3 LYS 82 2HZ LYS 82 13.720 4.310 -4.082 635 H SER 83 H SER 83 8.190 9.372 -2.723 636 HA SER 83 HA SER 83 8.337 10.802 -5.085 637 HB2 SER 83 2HB SER 83 6.498 9.283 -4.532 638 HB3 SER 83 1HB SER 83 5.932 10.401 -3.293 639 HG SER 83 HG SER 83 4.983 11.535 -4.773 640 H GLY 84 H GLY 84 7.632 11.985 -1.831 641 HA2 GLY 84 2HA GLY 84 8.530 14.322 -1.561 642 HA3 GLY 84 1HA GLY 84 7.549 14.709 -2.961 643 H ASN 85 H ASN 85 5.934 15.957 -2.294 644 HA ASN 85 HA ASN 85 4.719 15.452 0.309 645 HB2 ASN 85 2HB ASN 85 3.442 17.550 -0.171 646 HB3 ASN 85 1HB ASN 85 5.185 17.747 -0.090 647 HD21 ASN 85 1HD2 ASN 85 5.047 19.664 -1.253 648 HD22 ASN 85 2HD2 ASN 85 4.776 19.676 -2.960 649 H LYS 86 H LYS 86 4.353 13.953 -2.363 650 HA LYS 86 HA LYS 86 1.640 13.221 -1.883 651 HB2 LYS 86 2HB LYS 86 0.899 13.671 -4.171 652 HB3 LYS 86 1HB LYS 86 1.183 15.122 -3.265 653 HG2 LYS 86 2HG LYS 86 3.158 15.603 -4.467 654 HG3 LYS 86 1HG LYS 86 3.207 13.980 -5.159 655 HD2 LYS 86 2HD LYS 86 1.126 14.456 -6.381 656 HD3 LYS 86 1HD LYS 86 1.129 16.092 -5.718 657 HE2 LYS 86 2HE LYS 86 2.016 16.091 -7.972 658 HE3 LYS 86 1HE LYS 86 3.272 16.525 -6.816 659 HZ1 LYS 86 3HZ LYS 86 2.927 13.779 -7.878 660 HZ2 LYS 86 1HZ LYS 86 4.245 14.394 -7.013 661 HZ3 LYS 86 2HZ LYS 86 3.944 14.922 -8.591 662 H VAL 87 H VAL 87 0.964 11.665 -3.752 663 HA VAL 87 HA VAL 87 3.031 10.265 -5.129 664 HB VAL 87 HB VAL 87 3.596 9.644 -2.794 665 HG11 VAL 87 1HG1 VAL 87 0.984 8.146 -2.874 666 HG12 VAL 87 2HG1 VAL 87 1.335 9.560 -1.880 667 HG13 VAL 87 3HG1 VAL 87 2.197 8.050 -1.598 668 HG21 VAL 87 3HG2 VAL 87 4.396 8.204 -4.486 669 HG22 VAL 87 1HG2 VAL 87 2.804 7.477 -4.718 670 HG23 VAL 87 2HG2 VAL 87 3.707 7.168 -3.235 671 H ALA 88 H ALA 88 2.324 8.672 -6.471 672 HA ALA 88 HA ALA 88 -0.569 8.450 -6.861 673 HB1 ALA 88 1HB ALA 88 0.735 9.031 -8.807 674 HB2 ALA 88 2HB ALA 88 0.036 7.425 -9.024 675 HB3 ALA 88 3HB ALA 88 1.740 7.598 -8.598 676 H ILE 89 H ILE 89 -1.285 6.967 -5.366 677 HA ILE 89 HA ILE 89 0.089 4.409 -5.156 678 HB ILE 89 HB ILE 89 -0.627 5.350 -3.068 679 HG12 ILE 89 2HG1 ILE 89 -2.583 3.128 -3.578 680 HG13 ILE 89 1HG1 ILE 89 -0.846 2.838 -3.558 681 HG21 ILE 89 1HG2 ILE 89 -2.443 6.754 -3.819 682 HG22 ILE 89 2HG2 ILE 89 -2.990 5.697 -2.519 683 HG23 ILE 89 3HG2 ILE 89 -3.422 5.334 -4.189 684 HD11 ILE 89 3HD1 ILE 89 -2.220 4.210 -1.281 685 HD12 ILE 89 1HD1 ILE 89 -0.672 3.367 -1.300 686 HD13 ILE 89 2HD1 ILE 89 -2.174 2.450 -1.405 687 H SER 90 H SER 90 -0.344 2.837 -6.577 688 HA SER 90 HA SER 90 -2.858 2.868 -8.040 689 HB2 SER 90 2HB SER 90 -0.305 2.256 -8.764 690 HB3 SER 90 1HB SER 90 -0.965 0.649 -8.479 691 HG SER 90 HG SER 90 -1.487 1.037 -10.538 692 H THR 91 H THR 91 -4.560 1.981 -7.090 693 HA THR 91 HA THR 91 -4.195 -0.464 -5.491 694 HB THR 91 HB THR 91 -6.449 0.104 -4.542 695 HG1 THR 91 1HG THR 91 -7.517 1.761 -5.321 696 HG21 THR 91 3HG2 THR 91 -4.387 2.291 -4.231 697 HG22 THR 91 1HG2 THR 91 -4.327 0.727 -3.416 698 HG23 THR 91 2HG2 THR 91 -5.642 1.850 -3.070 699 H THR 92 H THR 92 -6.125 -2.006 -5.604 700 HA THR 92 HA THR 92 -6.728 -2.317 -8.468 701 HB THR 92 HB THR 92 -5.592 -4.234 -7.709 702 HG1 THR 92 1HG THR 92 -8.308 -5.033 -7.502 703 HG21 THR 92 3HG2 THR 92 -6.281 -5.555 -5.762 704 HG22 THR 92 1HG2 THR 92 -7.529 -4.364 -5.401 705 HG23 THR 92 2HG2 THR 92 -5.827 -3.911 -5.306 706 HA PRO 93 HA PRO 93 -10.926 -0.958 -7.351 707 HB2 PRO 93 2HB PRO 93 -11.267 -1.705 -10.207 708 HB3 PRO 93 1HB PRO 93 -11.806 -0.256 -9.351 709 HG2 PRO 93 2HG PRO 93 -9.690 -0.196 -10.986 710 HG3 PRO 93 1HG PRO 93 -9.718 0.746 -9.491 711 HD2 PRO 93 2HD PRO 93 -8.234 -1.721 -10.124 712 HD3 PRO 93 1HD PRO 93 -7.797 -0.397 -9.045 713 H LEU 94 H LEU 94 -13.100 -1.937 -7.890 714 HA LEU 94 HA LEU 94 -13.196 -4.593 -6.972 715 HB2 LEU 94 2HB LEU 94 -15.569 -3.676 -8.403 716 HB3 LEU 94 1HB LEU 94 -15.401 -4.188 -6.757 717 HG LEU 94 HG LEU 94 -14.236 -1.791 -6.563 718 HD11 LEU 94 1HD1 LEU 94 -14.480 -0.913 -8.639 719 HD12 LEU 94 2HD1 LEU 94 -16.031 -0.419 -7.940 720 HD13 LEU 94 3HD1 LEU 94 -15.935 -1.859 -8.958 721 HD21 LEU 94 3HD2 LEU 94 -16.055 -2.628 -5.159 722 HD22 LEU 94 1HD2 LEU 94 -17.203 -2.339 -6.467 723 HD23 LEU 94 2HD2 LEU 94 -16.378 -0.983 -5.701 724 H GLU 95 H GLU 95 -14.356 -6.352 -8.115 725 HA GLU 95 HA GLU 95 -14.417 -6.390 -10.963 726 HB2 GLU 95 2HB GLU 95 -12.644 -7.878 -11.446 727 HB3 GLU 95 1HB GLU 95 -11.944 -6.625 -10.439 728 HG2 GLU 95 2HG GLU 95 -12.889 -9.232 -9.304 729 HG3 GLU 95 1HG GLU 95 -11.276 -9.040 -9.981 730 H ASN 96 H ASN 96 -15.126 -8.496 -11.794 731 HA ASN 96 HA ASN 96 -17.006 -9.672 -9.944 732 HB2 ASN 96 2HB ASN 96 -17.735 -11.016 -11.949 733 HB3 ASN 96 1HB ASN 96 -17.866 -9.271 -12.142 734 HD21 ASN 96 1HD2 ASN 96 -16.575 -8.226 -13.605 735 HD22 ASN 96 2HD2 ASN 96 -15.618 -9.062 -14.778 736 H1 SER 101 1HT SER 101 -0.413 -17.557 3.367 737 H2 SER 101 2HT SER 101 -1.353 -17.902 2.002 738 H3 SER 101 3HT SER 101 -2.067 -17.853 3.532 739 HA SER 101 HA SER 101 -0.848 -15.556 2.131 740 HB2 SER 101 2HB SER 101 -3.767 -16.012 2.750 741 HB3 SER 101 1HB SER 101 -3.060 -14.801 1.678 742 HG SER 101 HG SER 101 -3.988 -16.715 0.634 743 H TRP 102 H TRP 102 -0.784 -13.642 3.282 744 HA TRP 102 HA TRP 102 -0.787 -12.197 5.035 745 HB2 TRP 102 2HB TRP 102 -3.185 -12.931 5.277 746 HB3 TRP 102 1HB TRP 102 -2.641 -14.121 6.452 747 HD1 TRP 102 HD TRP 102 -1.763 -13.180 8.818 748 HE1 TRP 102 1HE TRP 102 -2.259 -10.983 10.057 749 HE3 TRP 102 3HE TRP 102 -3.676 -10.481 4.923 750 HZ2 TRP 102 2HZ TRP 102 -3.324 -8.438 9.456 751 HZ3 TRP 102 3HZ TRP 102 -4.415 -8.173 5.345 752 HH2 TRP 102 HH TRP 102 -4.243 -7.176 7.564 753 H GLU 103 H GLU 103 1.108 -12.059 6.080 754 HA GLU 103 HA GLU 103 1.770 -13.950 8.168 755 HB2 GLU 103 2HB GLU 103 2.613 -15.182 6.296 756 HB3 GLU 103 1HB GLU 103 3.378 -13.755 5.620 757 HG2 GLU 103 2HG GLU 103 4.242 -14.777 8.289 758 HG3 GLU 103 1HG GLU 103 4.800 -15.568 6.820 759 H SER 104 H SER 104 3.015 -11.290 6.168 760 HA SER 104 HA SER 104 4.885 -10.462 8.165 761 HB2 SER 104 2HB SER 104 4.146 -8.698 5.891 762 HB3 SER 104 1HB SER 104 5.736 -9.084 6.555 763 HG SER 104 HG SER 104 5.267 -11.299 5.710 764 H HIS 105 H HIS 105 1.906 -10.314 8.815 765 HA HIS 105 HA HIS 105 1.261 -7.554 8.991 766 HB2 HIS 105 2HB HIS 105 -0.497 -8.262 10.571 767 HB3 HIS 105 1HB HIS 105 -0.493 -9.228 9.102 768 HD2 HIS 105 2HD HIS 105 -0.540 -9.704 12.837 769 HE1 HIS 105 1HE HIS 105 0.740 -13.371 11.161 770 HE2 HIS 105 2HE HIS 105 -0.287 -12.261 13.192 771 H LYS 106 H LYS 106 3.144 -9.720 10.892 772 HA LYS 106 HA LYS 106 3.572 -7.612 12.893 773 HB2 LYS 106 2HB LYS 106 4.729 -9.734 14.066 774 HB3 LYS 106 1HB LYS 106 3.039 -9.323 14.288 775 HG2 LYS 106 2HG LYS 106 3.179 -11.664 13.897 776 HG3 LYS 106 1HG LYS 106 2.477 -10.923 12.460 777 HD2 LYS 106 2HD LYS 106 4.068 -12.572 11.767 778 HD3 LYS 106 1HD LYS 106 4.733 -10.981 11.411 779 HE2 LYS 106 2HE LYS 106 6.070 -11.105 13.476 780 HE3 LYS 106 1HE LYS 106 5.430 -12.720 13.773 781 HZ1 LYS 106 3HZ LYS 106 7.667 -12.618 12.678 782 HZ2 LYS 106 1HZ LYS 106 6.900 -12.006 11.298 783 HZ3 LYS 106 2HZ LYS 106 6.512 -13.551 11.868 784 H SER 107 H SER 107 4.967 -9.397 10.355 785 HA SER 107 HA SER 107 7.705 -8.981 11.141 786 HB2 SER 107 2HB SER 107 6.816 -9.719 8.364 787 HB3 SER 107 1HB SER 107 8.283 -10.197 9.218 788 HG SER 107 HG SER 107 6.505 -11.819 9.013 789 H GLY 108 H GLY 108 7.897 -6.779 11.391 790 HA2 GLY 108 2HA GLY 108 8.986 -5.030 9.969 791 HA3 GLY 108 1HA GLY 108 7.567 -5.168 8.938 792 H GLY 109 H GLY 109 6.165 -5.621 11.712 793 HA2 GLY 109 2HA GLY 109 5.422 -4.248 13.471 794 HA3 GLY 109 1HA GLY 109 6.183 -2.871 12.690 795 H GLU 110 H GLU 110 4.493 -1.504 12.634 796 HA GLU 110 HA GLU 110 2.287 -2.184 10.811 797 HB2 GLU 110 2HB GLU 110 1.905 -0.840 13.510 798 HB3 GLU 110 1HB GLU 110 0.651 -1.148 12.319 799 HG2 GLU 110 2HG GLU 110 0.891 -3.531 12.625 800 HG3 GLU 110 1HG GLU 110 2.224 -3.274 13.751 801 H THR 111 H THR 111 4.463 -0.777 10.083 802 HA THR 111 HA THR 111 4.378 2.002 10.540 803 HB THR 111 HB THR 111 5.482 0.674 8.070 804 HG1 THR 111 1HG THR 111 6.656 -0.418 9.477 805 HG21 THR 111 3HG2 THR 111 5.511 3.100 8.014 806 HG22 THR 111 1HG2 THR 111 7.152 2.490 8.218 807 HG23 THR 111 2HG2 THR 111 6.280 3.152 9.601 808 H ARG 112 H ARG 112 3.326 3.630 9.546 809 HA ARG 112 HA ARG 112 1.624 2.955 7.256 810 HB2 ARG 112 2HB ARG 112 -0.150 4.429 8.257 811 HB3 ARG 112 1HB ARG 112 0.125 2.913 9.107 812 HG2 ARG 112 2HG ARG 112 1.040 3.943 10.934 813 HG3 ARG 112 1HG ARG 112 1.583 5.345 10.010 814 HD2 ARG 112 2HD ARG 112 -1.297 4.704 10.633 815 HD3 ARG 112 1HD ARG 112 -0.300 5.841 11.540 816 HE ARG 112 HE ARG 112 -0.230 6.546 8.818 817 HH11 ARG 112 1HH1 ARG 112 -2.434 6.539 11.539 818 HH12 ARG 112 2HH1 ARG 112 -3.369 7.874 10.943 819 HH21 ARG 112 1HH2 ARG 112 -1.431 8.282 8.041 820 HH22 ARG 112 2HH2 ARG 112 -2.811 8.876 8.945 821 H LEU 113 H LEU 113 0.675 5.022 6.302 822 HA LEU 113 HA LEU 113 2.870 6.942 5.991 823 HB2 LEU 113 2HB LEU 113 0.615 6.066 4.206 824 HB3 LEU 113 1HB LEU 113 1.467 7.562 3.909 825 HG LEU 113 HG LEU 113 2.444 5.977 2.476 826 HD11 LEU 113 1HD1 LEU 113 4.288 6.041 4.842 827 HD12 LEU 113 2HD1 LEU 113 4.018 7.412 3.765 828 HD13 LEU 113 3HD1 LEU 113 4.715 5.918 3.136 829 HD21 LEU 113 3HD2 LEU 113 1.541 3.969 3.531 830 HD22 LEU 113 1HD2 LEU 113 2.716 4.124 4.838 831 HD23 LEU 113 2HD2 LEU 113 3.263 3.803 3.191 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -9.333 -12.247 -12.346 2 H2 GLY 1 2HT GLY 1 -9.091 -11.243 -13.687 3 H3 GLY 1 3HT GLY 1 -10.627 -11.366 -12.991 4 HA2 GLY 1 1HA GLY 1 -9.920 -10.275 -11.013 5 HA3 GLY 1 2HA GLY 1 -8.256 -10.295 -11.579 6 H GLY 2 H GLY 2 -7.557 -8.437 -12.358 7 HA2 GLY 2 2HA GLY 2 -9.246 -6.854 -14.103 8 HA3 GLY 2 1HA GLY 2 -8.819 -6.089 -12.578 9 H SER 3 H SER 3 -8.075 -4.919 -14.916 10 HA SER 3 HA SER 3 -5.161 -5.234 -14.805 11 HB2 SER 3 2HB SER 3 -6.621 -4.701 -17.393 12 HB3 SER 3 1HB SER 3 -4.926 -5.134 -17.171 13 HG SER 3 HG SER 3 -5.715 -7.057 -17.614 14 H MET 4 H MET 4 -3.984 -3.327 -15.390 15 HA MET 4 HA MET 4 -3.513 -1.121 -15.245 16 HB2 MET 4 2HB MET 4 -6.185 -1.001 -16.617 17 HB3 MET 4 1HB MET 4 -5.275 0.454 -16.244 18 HG2 MET 4 2HG MET 4 -3.402 -0.384 -17.575 19 HG3 MET 4 1HG MET 4 -4.336 -1.825 -17.967 20 HE1 MET 4 3HE MET 4 -5.701 1.877 -17.668 21 HE2 MET 4 1HE MET 4 -5.455 2.440 -19.320 22 HE3 MET 4 2HE MET 4 -4.067 2.050 -18.307 23 H ARG 5 H ARG 5 -3.538 -1.303 -12.937 24 HA ARG 5 HA ARG 5 -5.872 -0.616 -11.450 25 HB2 ARG 5 2HB ARG 5 -2.961 -0.785 -10.676 26 HB3 ARG 5 1HB ARG 5 -4.233 -0.373 -9.534 27 HG2 ARG 5 2HG ARG 5 -3.999 -2.630 -9.171 28 HG3 ARG 5 1HG ARG 5 -5.310 -2.601 -10.354 29 HD2 ARG 5 2HD ARG 5 -3.484 -2.829 -12.116 30 HD3 ARG 5 1HD ARG 5 -2.413 -3.258 -10.786 31 HE ARG 5 HE ARG 5 -4.747 -4.848 -10.706 32 HH11 ARG 5 1HH1 ARG 5 -1.829 -4.384 -12.579 33 HH12 ARG 5 2HH1 ARG 5 -1.733 -6.042 -13.083 34 HH21 ARG 5 1HH2 ARG 5 -4.631 -7.041 -11.375 35 HH22 ARG 5 2HH2 ARG 5 -3.331 -7.547 -12.411 36 HA PRO 6 HA PRO 6 -5.376 3.772 -12.055 37 HB2 PRO 6 2HB PRO 6 -7.553 4.247 -10.232 38 HB3 PRO 6 1HB PRO 6 -7.586 4.271 -11.996 39 HG2 PRO 6 2HG PRO 6 -8.878 2.381 -10.483 40 HG3 PRO 6 1HG PRO 6 -8.317 2.096 -12.133 41 HD2 PRO 6 2HD PRO 6 -7.021 1.395 -9.526 42 HD3 PRO 6 1HD PRO 6 -7.260 0.391 -10.968 43 HA PRO 7 HA PRO 7 -3.071 4.623 -8.242 44 HB2 PRO 7 2HB PRO 7 -2.008 6.881 -9.731 45 HB3 PRO 7 1HB PRO 7 -1.158 5.516 -9.017 46 HG2 PRO 7 2HG PRO 7 -1.416 5.831 -11.683 47 HG3 PRO 7 1HG PRO 7 -1.355 4.234 -10.916 48 HD2 PRO 7 2HD PRO 7 -3.729 5.761 -11.931 49 HD3 PRO 7 1HD PRO 7 -3.377 4.022 -12.037 50 H ILE 8 H ILE 8 -3.974 5.667 -6.657 51 HA ILE 8 HA ILE 8 -5.608 8.014 -7.170 52 HB ILE 8 HB ILE 8 -5.146 6.766 -4.482 53 HG12 ILE 8 2HG1 ILE 8 -7.155 5.820 -6.523 54 HG13 ILE 8 1HG1 ILE 8 -5.643 5.012 -6.193 55 HG21 ILE 8 1HG2 ILE 8 -7.617 7.948 -5.702 56 HG22 ILE 8 2HG2 ILE 8 -6.447 8.892 -4.779 57 HG23 ILE 8 3HG2 ILE 8 -7.329 7.574 -4.007 58 HD11 ILE 8 3HD1 ILE 8 -7.405 3.896 -5.036 59 HD12 ILE 8 1HD1 ILE 8 -7.904 5.408 -4.279 60 HD13 ILE 8 2HD1 ILE 8 -6.347 4.689 -3.869 61 H ILE 9 H ILE 9 -4.556 9.873 -7.216 62 HA ILE 9 HA ILE 9 -1.960 10.144 -6.041 63 HB ILE 9 HB ILE 9 -3.485 12.484 -7.083 64 HG12 ILE 9 2HG1 ILE 9 -3.903 10.677 -8.709 65 HG13 ILE 9 1HG1 ILE 9 -2.863 11.930 -9.376 66 HG21 ILE 9 1HG2 ILE 9 -1.304 12.928 -6.198 67 HG22 ILE 9 2HG2 ILE 9 -1.207 13.053 -7.955 68 HG23 ILE 9 3HG2 ILE 9 -0.601 11.612 -7.138 69 HD11 ILE 9 3HD1 ILE 9 -2.073 9.758 -10.038 70 HD12 ILE 9 1HD1 ILE 9 -1.997 9.233 -8.357 71 HD13 ILE 9 2HD1 ILE 9 -0.910 10.495 -8.938 72 H ILE 10 H ILE 10 -1.946 10.184 -3.861 73 HA ILE 10 HA ILE 10 -3.828 11.762 -2.335 74 HB ILE 10 HB ILE 10 -1.183 10.608 -1.378 75 HG12 ILE 10 2HG1 ILE 10 -3.628 9.227 -0.576 76 HG13 ILE 10 1HG1 ILE 10 -3.249 9.057 -2.270 77 HG21 ILE 10 1HG2 ILE 10 -2.370 10.622 0.839 78 HG22 ILE 10 2HG2 ILE 10 -3.627 11.595 0.077 79 HG23 ILE 10 3HG2 ILE 10 -1.976 12.208 0.180 80 HD11 ILE 10 3HD1 ILE 10 -1.060 8.203 -1.714 81 HD12 ILE 10 1HD1 ILE 10 -2.320 7.260 -0.916 82 HD13 ILE 10 2HD1 ILE 10 -1.399 8.455 -0.001 83 H HIS 11 H HIS 11 -2.952 13.530 -0.884 84 HA HIS 11 HA HIS 11 -0.587 14.863 -1.928 85 HB2 HIS 11 2HB HIS 11 -2.694 15.754 -3.093 86 HB3 HIS 11 1HB HIS 11 -3.179 16.380 -1.519 87 HD2 HIS 11 2HD HIS 11 -0.238 16.894 -4.084 88 HE1 HIS 11 1HE HIS 11 -0.682 20.355 -1.695 89 HE2 HIS 11 2HE HIS 11 0.694 19.244 -3.505 90 H ARG 12 H ARG 12 0.629 15.111 -0.204 91 HA ARG 12 HA ARG 12 -0.295 14.872 2.440 92 HB2 ARG 12 2HB ARG 12 2.030 14.439 1.562 93 HB3 ARG 12 1HB ARG 12 2.268 16.180 1.554 94 HG2 ARG 12 2HG ARG 12 1.971 16.281 3.932 95 HG3 ARG 12 1HG ARG 12 1.568 14.562 3.988 96 HD2 ARG 12 2HD ARG 12 3.770 13.981 3.224 97 HD3 ARG 12 1HD ARG 12 4.182 15.681 3.011 98 HE ARG 12 HE ARG 12 3.485 14.637 5.676 99 HH11 ARG 12 1HH1 ARG 12 5.831 16.114 3.526 100 HH12 ARG 12 2HH1 ARG 12 6.912 16.547 4.809 101 HH21 ARG 12 1HH2 ARG 12 4.911 15.195 7.352 102 HH22 ARG 12 2HH2 ARG 12 6.393 16.020 6.988 103 H ALA 13 H ALA 13 -1.520 16.253 3.465 104 HA ALA 13 HA ALA 13 -1.601 19.050 2.758 105 HB1 ALA 13 1HB ALA 13 -3.405 19.137 4.462 106 HB2 ALA 13 2HB ALA 13 -3.113 17.431 4.801 107 HB3 ALA 13 3HB ALA 13 -3.678 17.929 3.206 108 H GLY 14 H GLY 14 0.919 18.426 3.711 109 HA2 GLY 14 2HA GLY 14 2.460 19.442 5.102 110 HA3 GLY 14 1HA GLY 14 1.133 20.266 5.906 111 H LYS 15 H LYS 15 0.436 17.036 5.844 112 HA LYS 15 HA LYS 15 1.745 16.561 8.431 113 HB2 LYS 15 2HB LYS 15 -0.516 15.145 8.761 114 HB3 LYS 15 1HB LYS 15 -0.337 16.810 9.292 115 HG2 LYS 15 2HG LYS 15 -1.474 17.626 7.351 116 HG3 LYS 15 1HG LYS 15 -1.489 16.016 6.627 117 HD2 LYS 15 2HD LYS 15 -3.668 16.655 7.606 118 HD3 LYS 15 1HD LYS 15 -2.978 15.214 8.348 119 HE2 LYS 15 2HE LYS 15 -2.376 16.368 10.299 120 HE3 LYS 15 1HE LYS 15 -2.568 17.941 9.528 121 HZ1 LYS 15 3HZ LYS 15 -4.397 17.440 11.030 122 HZ2 LYS 15 1HZ LYS 15 -4.773 16.049 10.146 123 HZ3 LYS 15 2HZ LYS 15 -4.948 17.575 9.439 124 H LYS 16 H LYS 16 -0.484 14.504 6.606 125 HA LYS 16 HA LYS 16 1.624 12.805 5.641 126 HB2 LYS 16 2HB LYS 16 0.784 10.800 6.875 127 HB3 LYS 16 1HB LYS 16 1.565 11.993 7.898 128 HG2 LYS 16 2HG LYS 16 -0.639 12.829 8.587 129 HG3 LYS 16 1HG LYS 16 -1.401 11.597 7.582 130 HD2 LYS 16 2HD LYS 16 -0.406 9.841 8.912 131 HD3 LYS 16 1HD LYS 16 0.484 11.028 9.866 132 HE2 LYS 16 2HE LYS 16 -2.523 10.939 9.707 133 HE3 LYS 16 1HE LYS 16 -1.591 10.104 10.949 134 HZ1 LYS 16 3HZ LYS 16 -0.790 12.141 11.785 135 HZ2 LYS 16 1HZ LYS 16 -2.454 12.352 11.575 136 HZ3 LYS 16 2HZ LYS 16 -1.369 13.015 10.462 137 H TYR 17 H TYR 17 0.458 10.614 4.898 138 HA TYR 17 HA TYR 17 -1.680 11.478 3.117 139 HB2 TYR 17 2HB TYR 17 -0.281 8.801 3.116 140 HB3 TYR 17 1HB TYR 17 -1.176 9.551 1.792 141 HD1 TYR 17 1HD TYR 17 1.976 9.701 3.742 142 HD2 TYR 17 2HD TYR 17 -0.155 11.167 0.373 143 HE1 TYR 17 1HE TYR 17 4.034 10.748 2.905 144 HE2 TYR 17 2HE TYR 17 1.895 12.224 -0.476 145 HH TYR 17 HH TYR 17 4.745 11.501 0.180 146 H GLY 18 H GLY 18 -1.421 10.353 6.084 147 HA2 GLY 18 2HA GLY 18 -2.825 9.555 7.649 148 HA3 GLY 18 1HA GLY 18 -4.110 9.765 6.492 149 H PHE 19 H PHE 19 -2.607 7.761 4.757 150 HA PHE 19 HA PHE 19 -4.084 5.550 5.864 151 HB2 PHE 19 2HB PHE 19 -4.045 4.512 3.794 152 HB3 PHE 19 1HB PHE 19 -4.201 6.193 3.449 153 HD1 PHE 19 2HD PHE 19 -2.035 7.470 2.845 154 HD2 PHE 19 1HD PHE 19 -2.401 3.236 2.806 155 HE1 PHE 19 2HE PHE 19 -0.073 7.317 1.362 156 HE2 PHE 19 1HE PHE 19 -0.446 3.075 1.326 157 HZ PHE 19 HZ PHE 19 0.720 5.116 0.602 158 H THR 20 H THR 20 -3.462 3.666 6.379 159 HA THR 20 HA THR 20 -0.696 3.420 7.292 160 HB THR 20 HB THR 20 -3.110 1.676 7.873 161 HG1 THR 20 1HG THR 20 -3.107 3.917 8.668 162 HG21 THR 20 3HG2 THR 20 -0.573 1.747 9.500 163 HG22 THR 20 1HG2 THR 20 -0.774 0.626 8.152 164 HG23 THR 20 2HG2 THR 20 -1.872 0.552 9.534 165 H LEU 21 H LEU 21 0.755 2.394 5.960 166 HA LEU 21 HA LEU 21 -0.225 0.500 3.988 167 HB2 LEU 21 2HB LEU 21 1.784 2.276 3.757 168 HB3 LEU 21 1HB LEU 21 2.704 0.922 4.348 169 HG LEU 21 HG LEU 21 2.689 -0.075 2.360 170 HD11 LEU 21 1HD1 LEU 21 0.721 -0.444 0.991 171 HD12 LEU 21 2HD1 LEU 21 -0.207 0.672 1.990 172 HD13 LEU 21 3HD1 LEU 21 0.383 -0.844 2.673 173 HD21 LEU 21 3HD2 LEU 21 1.393 2.445 1.375 174 HD22 LEU 21 1HD2 LEU 21 2.428 1.348 0.461 175 HD23 LEU 21 2HD2 LEU 21 3.095 2.293 1.795 176 H ARG 22 H ARG 22 -0.936 -1.162 5.356 177 HA ARG 22 HA ARG 22 0.660 -2.384 7.350 178 HB2 ARG 22 2HB ARG 22 -1.946 -2.536 6.702 179 HB3 ARG 22 1HB ARG 22 -1.392 -3.999 5.917 180 HG2 ARG 22 2HG ARG 22 -2.139 -4.634 8.056 181 HG3 ARG 22 1HG ARG 22 -0.374 -4.668 8.113 182 HD2 ARG 22 2HD ARG 22 -0.251 -2.755 9.418 183 HD3 ARG 22 1HD ARG 22 -1.860 -2.205 8.945 184 HE ARG 22 HE ARG 22 -2.488 -4.402 10.282 185 HH11 ARG 22 1HH1 ARG 22 -0.063 -2.019 11.101 186 HH12 ARG 22 2HH1 ARG 22 -0.348 -2.146 12.814 187 HH21 ARG 22 1HH2 ARG 22 -2.830 -4.595 12.533 188 HH22 ARG 22 2HH2 ARG 22 -1.916 -3.604 13.629 189 H ALA 23 H ALA 23 2.099 -4.053 7.232 190 HA ALA 23 HA ALA 23 2.938 -4.911 4.566 191 HB1 ALA 23 1HB ALA 23 4.177 -5.279 7.290 192 HB2 ALA 23 2HB ALA 23 4.714 -4.204 5.999 193 HB3 ALA 23 3HB ALA 23 4.847 -5.951 5.805 194 H ILE 24 H ILE 24 2.597 -6.919 3.739 195 HA ILE 24 HA ILE 24 1.695 -9.032 5.564 196 HB ILE 24 HB ILE 24 -0.029 -9.740 3.959 197 HG12 ILE 24 2HG1 ILE 24 0.239 -7.085 2.580 198 HG13 ILE 24 1HG1 ILE 24 1.141 -8.493 2.020 199 HG21 ILE 24 1HG2 ILE 24 -0.341 -6.917 4.955 200 HG22 ILE 24 2HG2 ILE 24 -0.686 -8.397 5.853 201 HG23 ILE 24 3HG2 ILE 24 -1.662 -7.969 4.446 202 HD11 ILE 24 3HD1 ILE 24 -1.003 -8.076 0.826 203 HD12 ILE 24 1HD1 ILE 24 -1.847 -8.437 2.331 204 HD13 ILE 24 2HD1 ILE 24 -0.866 -9.677 1.552 205 H ARG 25 H ARG 25 1.661 -11.189 4.444 206 HA ARG 25 HA ARG 25 3.578 -11.403 2.247 207 HB2 ARG 25 2HB ARG 25 3.865 -12.640 4.971 208 HB3 ARG 25 1HB ARG 25 4.548 -13.427 3.556 209 HG2 ARG 25 2HG ARG 25 5.859 -11.397 3.089 210 HG3 ARG 25 1HG ARG 25 5.217 -10.670 4.564 211 HD2 ARG 25 2HD ARG 25 6.206 -12.458 5.888 212 HD3 ARG 25 1HD ARG 25 6.811 -13.225 4.422 213 HE ARG 25 HE ARG 25 7.758 -10.561 4.612 214 HH11 ARG 25 1HH1 ARG 25 8.208 -13.762 5.930 215 HH12 ARG 25 2HH1 ARG 25 9.860 -13.493 6.381 216 HH21 ARG 25 1HH2 ARG 25 9.940 -10.184 5.214 217 HH22 ARG 25 2HH2 ARG 25 10.849 -11.445 5.981 218 H VAL 26 H VAL 26 1.938 -12.046 0.899 219 HA VAL 26 HA VAL 26 0.105 -14.146 1.630 220 HB VAL 26 HB VAL 26 -0.458 -13.972 -0.898 221 HG11 VAL 26 1HG1 VAL 26 -1.648 -11.729 -0.430 222 HG12 VAL 26 2HG1 VAL 26 -0.949 -11.872 1.187 223 HG13 VAL 26 3HG1 VAL 26 -2.042 -13.119 0.584 224 HG21 VAL 26 3HG2 VAL 26 0.173 -11.926 -1.980 225 HG22 VAL 26 1HG2 VAL 26 1.633 -12.782 -1.486 226 HG23 VAL 26 2HG2 VAL 26 1.064 -11.395 -0.555 227 H TYR 27 H TYR 27 0.452 -16.255 1.427 228 HA TYR 27 HA TYR 27 2.844 -17.196 0.119 229 HB2 TYR 27 2HB TYR 27 0.656 -18.580 1.662 230 HB3 TYR 27 1HB TYR 27 1.967 -19.458 0.878 231 HD1 TYR 27 2HD TYR 27 1.096 -17.145 3.583 232 HD2 TYR 27 1HD TYR 27 4.217 -19.372 1.750 233 HE1 TYR 27 2HE TYR 27 2.516 -16.766 5.549 234 HE2 TYR 27 1HE TYR 27 5.649 -18.998 3.714 235 HH TYR 27 HH TYR 27 5.786 -17.233 5.583 236 H MET 28 H MET 28 2.935 -18.575 -1.650 237 HA MET 28 HA MET 28 0.449 -18.722 -3.222 238 HB2 MET 28 2HB MET 28 3.219 -18.121 -4.242 239 HB3 MET 28 1HB MET 28 1.824 -18.393 -5.262 240 HG2 MET 28 2HG MET 28 0.776 -16.465 -4.236 241 HG3 MET 28 1HG MET 28 2.221 -16.178 -3.288 242 HE1 MET 28 3HE MET 28 0.522 -16.148 -6.732 243 HE2 MET 28 1HE MET 28 1.827 -17.267 -7.125 244 HE3 MET 28 2HE MET 28 1.801 -15.657 -7.842 245 H GLY 29 H GLY 29 1.178 -20.775 -1.566 246 HA2 GLY 29 2HA GLY 29 0.910 -23.028 -2.954 247 HA3 GLY 29 1HA GLY 29 2.627 -22.727 -3.157 248 H ASP 30 H ASP 30 2.691 -24.864 -2.117 249 HA ASP 30 HA ASP 30 2.120 -24.988 0.721 250 HB2 ASP 30 2HB ASP 30 1.723 -26.982 -0.586 251 HB3 ASP 30 1HB ASP 30 3.370 -26.959 -1.202 252 H SER 31 H SER 31 4.897 -24.627 -1.400 253 HA SER 31 HA SER 31 6.880 -25.003 0.619 254 HB2 SER 31 2HB SER 31 7.277 -23.416 -1.913 255 HB3 SER 31 1HB SER 31 8.452 -24.401 -1.038 256 HG SER 31 HG SER 31 6.585 -26.075 -1.628 257 H ASP 32 H ASP 32 8.578 -23.004 0.721 258 HA ASP 32 HA ASP 32 7.196 -20.991 2.234 259 HB2 ASP 32 2HB ASP 32 9.610 -22.068 2.532 260 HB3 ASP 32 1HB ASP 32 10.078 -20.685 1.550 261 H VAL 33 H VAL 33 6.616 -21.072 -0.611 262 HA VAL 33 HA VAL 33 7.845 -18.691 -1.700 263 HB VAL 33 HB VAL 33 7.523 -20.341 -3.333 264 HG11 VAL 33 1HG1 VAL 33 5.397 -21.427 -3.829 265 HG12 VAL 33 2HG1 VAL 33 4.630 -20.535 -2.516 266 HG13 VAL 33 3HG1 VAL 33 5.885 -21.721 -2.160 267 HG21 VAL 33 3HG2 VAL 33 6.060 -19.285 -4.958 268 HG22 VAL 33 1HG2 VAL 33 6.971 -18.073 -4.055 269 HG23 VAL 33 2HG2 VAL 33 5.277 -18.366 -3.671 270 H TYR 34 H TYR 34 7.114 -16.771 -1.355 271 HA TYR 34 HA TYR 34 4.271 -16.254 -1.142 272 HB2 TYR 34 2HB TYR 34 4.522 -14.966 0.974 273 HB3 TYR 34 1HB TYR 34 4.803 -16.689 1.182 274 HD1 TYR 34 1HD TYR 34 6.374 -13.366 1.154 275 HD2 TYR 34 2HD TYR 34 6.983 -17.529 1.779 276 HE1 TYR 34 1HE TYR 34 8.542 -12.884 2.212 277 HE2 TYR 34 2HE TYR 34 9.148 -17.059 2.837 278 HH TYR 34 HH TYR 34 10.848 -15.309 2.849 279 H THR 35 H THR 35 3.709 -14.100 -1.529 280 HA THR 35 HA THR 35 5.887 -12.524 -2.724 281 HB THR 35 HB THR 35 3.462 -11.311 -3.385 282 HG1 THR 35 1HG THR 35 2.981 -13.839 -4.310 283 HG21 THR 35 3HG2 THR 35 3.979 -12.042 -5.635 284 HG22 THR 35 1HG2 THR 35 5.050 -13.297 -5.012 285 HG23 THR 35 2HG2 THR 35 5.469 -11.597 -4.804 286 H VAL 36 H VAL 36 6.489 -10.667 -1.785 287 HA VAL 36 HA VAL 36 5.186 -9.876 0.663 288 HB VAL 36 HB VAL 36 7.457 -8.422 -0.692 289 HG11 VAL 36 1HG1 VAL 36 7.963 -7.659 1.564 290 HG12 VAL 36 2HG1 VAL 36 6.610 -8.594 2.200 291 HG13 VAL 36 3HG1 VAL 36 6.311 -7.231 1.123 292 HG21 VAL 36 3HG2 VAL 36 8.043 -10.788 -0.425 293 HG22 VAL 36 1HG2 VAL 36 7.630 -10.693 1.286 294 HG23 VAL 36 2HG2 VAL 36 8.984 -9.758 0.653 295 H HIS 37 H HIS 37 3.210 -9.041 0.178 296 HA HIS 37 HA HIS 37 3.122 -6.692 -1.590 297 HB2 HIS 37 2HB HIS 37 0.899 -8.522 -0.652 298 HB3 HIS 37 1HB HIS 37 0.648 -7.066 -1.605 299 HD2 HIS 37 2HD HIS 37 -0.162 -10.055 -2.704 300 HE1 HIS 37 1HE HIS 37 3.079 -9.395 -5.338 301 HE2 HIS 37 2HE HIS 37 1.100 -10.884 -4.810 302 H HIS 38 H HIS 38 0.960 -5.381 -0.729 303 HA HIS 38 HA HIS 38 1.035 -5.038 2.151 304 HB2 HIS 38 2HB HIS 38 1.822 -2.793 0.269 305 HB3 HIS 38 1HB HIS 38 1.511 -2.602 1.988 306 HD2 HIS 38 2HD HIS 38 4.353 -3.301 -0.380 307 HE1 HIS 38 1HE HIS 38 5.684 -4.456 3.463 308 HE2 HIS 38 2HE HIS 38 6.307 -4.295 1.013 309 H MET 39 H MET 39 -0.646 -3.457 2.844 310 HA MET 39 HA MET 39 -2.709 -2.861 0.865 311 HB2 MET 39 2HB MET 39 -3.143 -4.739 3.192 312 HB3 MET 39 1HB MET 39 -4.459 -3.920 2.373 313 HG2 MET 39 2HG MET 39 -3.639 -5.010 0.251 314 HG3 MET 39 1HG MET 39 -2.608 -6.002 1.273 315 HE1 MET 39 3HE MET 39 -5.214 -7.970 3.419 316 HE2 MET 39 1HE MET 39 -4.541 -6.402 3.863 317 HE3 MET 39 2HE MET 39 -3.509 -7.629 3.130 318 H VAL 40 H VAL 40 -4.086 -1.203 1.510 319 HA VAL 40 HA VAL 40 -3.104 0.404 3.663 320 HB VAL 40 HB VAL 40 -3.881 1.612 1.770 321 HG11 VAL 40 1HG1 VAL 40 -6.523 0.217 2.134 322 HG12 VAL 40 2HG1 VAL 40 -5.386 -0.006 0.803 323 HG13 VAL 40 3HG1 VAL 40 -6.218 1.535 1.005 324 HG21 VAL 40 3HG2 VAL 40 -4.391 2.486 4.090 325 HG22 VAL 40 1HG2 VAL 40 -6.055 1.977 3.813 326 HG23 VAL 40 2HG2 VAL 40 -5.321 3.193 2.765 327 H TRP 41 H TRP 41 -3.428 -0.248 5.608 328 HA TRP 41 HA TRP 41 -5.574 -1.882 6.489 329 HB2 TRP 41 2HB TRP 41 -3.154 -1.463 7.426 330 HB3 TRP 41 1HB TRP 41 -3.963 -0.230 8.371 331 HD1 TRP 41 HD TRP 41 -4.416 -1.110 10.688 332 HE1 TRP 41 1HE TRP 41 -5.222 -3.324 11.696 333 HE3 TRP 41 3HE TRP 41 -4.779 -3.864 6.397 334 HZ2 TRP 41 2HZ TRP 41 -5.951 -5.906 10.789 335 HZ3 TRP 41 3HZ TRP 41 -5.547 -6.196 6.552 336 HH2 TRP 41 HH TRP 41 -6.117 -7.194 8.703 337 H HIS 42 H HIS 42 -4.838 1.522 6.751 338 HA HIS 42 HA HIS 42 -7.610 2.154 7.270 339 HB2 HIS 42 2HB HIS 42 -6.184 1.584 9.463 340 HB3 HIS 42 1HB HIS 42 -5.750 3.272 9.290 341 HD2 HIS 42 2HD HIS 42 -7.952 5.080 9.447 342 HE1 HIS 42 1HE HIS 42 -10.426 2.252 11.382 343 HE2 HIS 42 2HE HIS 42 -10.226 4.658 10.614 344 H VAL 43 H VAL 43 -8.047 3.996 6.290 345 HA VAL 43 HA VAL 43 -5.832 5.865 5.835 346 HB VAL 43 HB VAL 43 -6.273 4.922 3.721 347 HG11 VAL 43 1HG1 VAL 43 -8.357 3.848 4.127 348 HG12 VAL 43 2HG1 VAL 43 -8.532 4.907 2.727 349 HG13 VAL 43 3HG1 VAL 43 -9.171 5.401 4.295 350 HG21 VAL 43 3HG2 VAL 43 -5.984 7.282 3.556 351 HG22 VAL 43 1HG2 VAL 43 -7.673 7.564 3.977 352 HG23 VAL 43 2HG2 VAL 43 -7.268 6.811 2.436 353 H GLU 44 H GLU 44 -6.104 7.845 6.478 354 HA GLU 44 HA GLU 44 -8.252 8.574 8.118 355 HB2 GLU 44 2HB GLU 44 -5.981 10.116 6.896 356 HB3 GLU 44 1HB GLU 44 -7.153 10.847 7.961 357 HG2 GLU 44 2HG GLU 44 -6.550 8.955 9.590 358 HG3 GLU 44 1HG GLU 44 -5.118 8.764 8.581 359 H ASP 45 H ASP 45 -10.204 9.036 7.502 360 HA ASP 45 HA ASP 45 -10.796 9.991 4.840 361 HB2 ASP 45 2HB ASP 45 -13.138 9.682 5.488 362 HB3 ASP 45 1HB ASP 45 -12.191 8.245 5.863 363 H GLY 46 H GLY 46 -9.325 11.801 6.518 364 HA2 GLY 46 2HA GLY 46 -11.349 13.932 6.784 365 HA3 GLY 46 1HA GLY 46 -10.027 13.749 7.921 366 H GLY 47 H GLY 47 -9.201 13.176 4.602 367 HA2 GLY 47 2HA GLY 47 -8.857 15.630 3.527 368 HA3 GLY 47 1HA GLY 47 -7.557 15.552 4.695 369 HA PRO 48 HA PRO 48 -4.829 13.466 1.974 370 HB2 PRO 48 2HB PRO 48 -4.761 11.037 3.673 371 HB3 PRO 48 1HB PRO 48 -3.448 12.072 3.122 372 HG2 PRO 48 2HG PRO 48 -4.237 12.233 5.616 373 HG3 PRO 48 1HG PRO 48 -3.933 13.728 4.698 374 HD2 PRO 48 2HD PRO 48 -6.552 12.378 5.281 375 HD3 PRO 48 1HD PRO 48 -6.087 14.077 5.472 376 H ALA 49 H ALA 49 -4.587 10.417 2.122 377 HA ALA 49 HA ALA 49 -5.363 9.720 -0.351 378 HB1 ALA 49 1HB ALA 49 -4.536 7.712 0.148 379 HB2 ALA 49 2HB ALA 49 -5.582 7.495 1.556 380 HB3 ALA 49 3HB ALA 49 -4.111 8.459 1.692 381 H SER 50 H SER 50 -7.555 9.620 2.445 382 HA SER 50 HA SER 50 -9.504 7.994 1.228 383 HB2 SER 50 2HB SER 50 -9.416 9.860 3.530 384 HB3 SER 50 1HB SER 50 -10.998 9.427 2.897 385 HG SER 50 HG SER 50 -10.534 7.268 3.271 386 H GLU 51 H GLU 51 -9.325 11.544 1.505 387 HA GLU 51 HA GLU 51 -11.657 12.037 -0.010 388 HB2 GLU 51 2HB GLU 51 -9.267 13.814 0.494 389 HB3 GLU 51 1HB GLU 51 -10.794 14.348 -0.196 390 HG2 GLU 51 2HG GLU 51 -11.294 12.964 2.242 391 HG3 GLU 51 1HG GLU 51 -10.068 14.203 2.510 392 H ALA 52 H ALA 52 -8.351 11.484 -0.785 393 HA ALA 52 HA ALA 52 -8.365 12.347 -3.460 394 HB1 ALA 52 1HB ALA 52 -6.699 10.321 -1.990 395 HB2 ALA 52 2HB ALA 52 -6.271 11.976 -2.422 396 HB3 ALA 52 3HB ALA 52 -6.418 10.748 -3.680 397 H GLY 53 H GLY 53 -9.453 9.409 -1.887 398 HA2 GLY 53 2HA GLY 53 -11.318 8.382 -3.259 399 HA3 GLY 53 1HA GLY 53 -10.117 8.289 -4.530 400 H LEU 54 H LEU 54 -8.355 7.697 -1.867 401 HA LEU 54 HA LEU 54 -8.143 4.928 -2.433 402 HB2 LEU 54 2HB LEU 54 -6.471 6.656 -1.306 403 HB3 LEU 54 1HB LEU 54 -7.141 5.974 0.155 404 HG LEU 54 HG LEU 54 -5.735 4.460 -2.038 405 HD11 LEU 54 1HD1 LEU 54 -4.147 5.684 -0.741 406 HD12 LEU 54 2HD1 LEU 54 -4.087 3.999 -0.219 407 HD13 LEU 54 3HD1 LEU 54 -4.925 5.198 0.765 408 HD21 LEU 54 3HD2 LEU 54 -5.935 2.518 -0.638 409 HD22 LEU 54 1HD2 LEU 54 -7.528 3.165 -1.032 410 HD23 LEU 54 2HD2 LEU 54 -6.831 3.454 0.561 411 H ARG 55 H ARG 55 -9.444 3.402 -1.875 412 HA ARG 55 HA ARG 55 -11.244 3.773 0.383 413 HB2 ARG 55 2HB ARG 55 -12.350 1.699 -0.431 414 HB3 ARG 55 1HB ARG 55 -12.322 2.990 -1.618 415 HG2 ARG 55 2HG ARG 55 -11.681 1.344 -3.000 416 HG3 ARG 55 1HG ARG 55 -10.087 1.660 -2.318 417 HD2 ARG 55 2HD ARG 55 -10.480 -0.708 -2.282 418 HD3 ARG 55 1HD ARG 55 -10.514 -0.106 -0.627 419 HE ARG 55 HE ARG 55 -13.126 -0.169 -1.732 420 HH11 ARG 55 1HH1 ARG 55 -10.633 -2.251 -0.419 421 HH12 ARG 55 2HH1 ARG 55 -11.746 -3.471 0.102 422 HH21 ARG 55 1HH2 ARG 55 -14.590 -1.786 -1.052 423 HH22 ARG 55 2HH2 ARG 55 -13.992 -3.217 -0.276 424 H GLN 56 H GLN 56 -10.755 3.024 2.314 425 HA GLN 56 HA GLN 56 -8.517 1.600 3.031 426 HB2 GLN 56 2HB GLN 56 -10.058 2.787 4.573 427 HB3 GLN 56 1HB GLN 56 -11.187 1.473 4.426 428 HG2 GLN 56 2HG GLN 56 -9.635 0.013 5.442 429 HG3 GLN 56 1HG GLN 56 -8.396 1.242 5.477 430 HE21 GLN 56 1HE2 GLN 56 -9.663 -0.313 7.637 431 HE22 GLN 56 2HE2 GLN 56 -10.270 0.866 8.748 432 H GLY 57 H GLY 57 -7.965 -0.543 3.245 433 HA2 GLY 57 2HA GLY 57 -8.303 -2.863 3.273 434 HA3 GLY 57 1HA GLY 57 -9.966 -2.608 2.763 435 H ASP 58 H ASP 58 -7.658 -0.892 0.959 436 HA ASP 58 HA ASP 58 -8.074 -2.638 -1.350 437 HB2 ASP 58 2HB ASP 58 -8.197 0.043 -1.167 438 HB3 ASP 58 1HB ASP 58 -6.499 -0.141 -1.596 439 H LEU 59 H LEU 59 -6.333 -3.295 -2.679 440 HA LEU 59 HA LEU 59 -3.869 -3.748 -1.154 441 HB2 LEU 59 2HB LEU 59 -4.753 -5.821 -1.855 442 HB3 LEU 59 1HB LEU 59 -5.155 -5.211 -3.446 443 HG LEU 59 HG LEU 59 -2.526 -4.927 -3.621 444 HD11 LEU 59 1HD1 LEU 59 -2.073 -5.624 -1.332 445 HD12 LEU 59 2HD1 LEU 59 -1.358 -6.747 -2.490 446 HD13 LEU 59 3HD1 LEU 59 -2.843 -7.180 -1.643 447 HD21 LEU 59 3HD2 LEU 59 -4.031 -7.516 -3.948 448 HD22 LEU 59 1HD2 LEU 59 -2.440 -7.183 -4.630 449 HD23 LEU 59 2HD2 LEU 59 -3.836 -6.239 -5.147 450 H ILE 60 H ILE 60 -2.036 -2.802 -1.744 451 HA ILE 60 HA ILE 60 -2.107 -0.991 -4.004 452 HB ILE 60 HB ILE 60 0.052 -1.464 -1.935 453 HG12 ILE 60 2HG1 ILE 60 -0.659 0.948 -1.327 454 HG13 ILE 60 1HG1 ILE 60 -2.118 0.603 -2.245 455 HG21 ILE 60 1HG2 ILE 60 1.037 -0.700 -4.014 456 HG22 ILE 60 2HG2 ILE 60 1.078 0.593 -2.815 457 HG23 ILE 60 3HG2 ILE 60 -0.124 0.628 -4.107 458 HD11 ILE 60 3HD1 ILE 60 -1.169 -0.968 0.138 459 HD12 ILE 60 1HD1 ILE 60 -2.681 -1.194 -0.742 460 HD13 ILE 60 2HD1 ILE 60 -2.404 0.292 0.168 461 H THR 61 H THR 61 -1.353 -1.474 -5.936 462 HA THR 61 HA THR 61 0.290 -3.886 -6.240 463 HB THR 61 HB THR 61 -0.389 -3.871 -8.584 464 HG1 THR 61 1HG THR 61 -0.661 -1.796 -9.195 465 HG21 THR 61 3HG2 THR 61 -2.794 -3.361 -6.828 466 HG22 THR 61 1HG2 THR 61 -1.903 -4.884 -6.889 467 HG23 THR 61 2HG2 THR 61 -2.752 -4.301 -8.322 468 H HIS 62 H HIS 62 0.137 -0.464 -7.050 469 HA HIS 62 HA HIS 62 3.024 -0.473 -7.565 470 HB2 HIS 62 2HB HIS 62 0.980 0.881 -9.338 471 HB3 HIS 62 1HB HIS 62 2.720 0.983 -9.519 472 HD2 HIS 62 2HD HIS 62 3.947 -1.470 -10.374 473 HE1 HIS 62 1HE HIS 62 0.293 -3.023 -11.831 474 HE2 HIS 62 2HE HIS 62 2.815 -3.188 -11.954 475 H VAL 63 H VAL 63 4.006 1.600 -7.333 476 HA VAL 63 HA VAL 63 2.363 3.706 -6.170 477 HB VAL 63 HB VAL 63 3.242 2.491 -4.250 478 HG11 VAL 63 1HG1 VAL 63 5.217 1.495 -5.283 479 HG12 VAL 63 2HG1 VAL 63 5.616 2.330 -3.781 480 HG13 VAL 63 3HG1 VAL 63 5.986 3.082 -5.332 481 HG21 VAL 63 3HG2 VAL 63 4.430 4.366 -3.141 482 HG22 VAL 63 1HG2 VAL 63 2.968 4.863 -3.993 483 HG23 VAL 63 2HG2 VAL 63 4.550 5.166 -4.709 484 H ASN 64 H ASN 64 2.640 5.328 -7.525 485 HA ASN 64 HA ASN 64 3.608 6.921 -8.842 486 HB2 ASN 64 2HB ASN 64 5.539 6.382 -6.758 487 HB3 ASN 64 1HB ASN 64 6.342 6.828 -8.259 488 HD21 ASN 64 1HD2 ASN 64 7.036 8.782 -7.512 489 HD22 ASN 64 2HD2 ASN 64 5.972 10.106 -7.184 490 H GLY 65 H GLY 65 3.456 4.157 -9.734 491 HA2 GLY 65 2HA GLY 65 4.025 3.060 -11.689 492 HA3 GLY 65 1HA GLY 65 5.122 4.386 -12.052 493 H GLU 66 H GLU 66 5.003 2.288 -9.256 494 HA GLU 66 HA GLU 66 7.437 0.932 -9.993 495 HB2 GLU 66 2HB GLU 66 7.677 3.163 -8.600 496 HB3 GLU 66 1HB GLU 66 7.242 2.112 -7.267 497 HG2 GLU 66 2HG GLU 66 9.688 2.407 -7.580 498 HG3 GLU 66 1HG GLU 66 9.139 0.734 -7.607 499 HA PRO 67 HA PRO 67 4.524 -2.180 -8.395 500 HB2 PRO 67 2HB PRO 67 6.550 -4.129 -8.659 501 HB3 PRO 67 1HB PRO 67 5.236 -3.808 -9.794 502 HG2 PRO 67 2HG PRO 67 8.064 -2.914 -9.867 503 HG3 PRO 67 1HG PRO 67 6.948 -3.242 -11.204 504 HD2 PRO 67 2HD PRO 67 7.597 -0.742 -10.477 505 HD3 PRO 67 1HD PRO 67 5.991 -1.134 -11.091 506 H VAL 68 H VAL 68 4.235 -2.600 -6.401 507 HA VAL 68 HA VAL 68 6.344 -2.180 -4.442 508 HB VAL 68 HB VAL 68 4.584 -2.290 -2.749 509 HG11 VAL 68 1HG1 VAL 68 3.928 -0.499 -5.084 510 HG12 VAL 68 2HG1 VAL 68 4.989 -0.131 -3.723 511 HG13 VAL 68 3HG1 VAL 68 3.255 -0.319 -3.463 512 HG21 VAL 68 3HG2 VAL 68 3.161 -3.956 -3.796 513 HG22 VAL 68 1HG2 VAL 68 2.717 -2.802 -5.054 514 HG23 VAL 68 2HG2 VAL 68 2.237 -2.512 -3.380 515 H HIS 69 H HIS 69 4.979 -4.549 -6.156 516 HA HIS 69 HA HIS 69 4.694 -6.745 -4.553 517 HB2 HIS 69 2HB HIS 69 5.337 -6.205 -7.419 518 HB3 HIS 69 1HB HIS 69 5.296 -7.833 -6.824 519 HD2 HIS 69 2HD HIS 69 2.662 -5.359 -5.477 520 HE1 HIS 69 1HE HIS 69 0.770 -8.017 -8.175 521 HE2 HIS 69 2HE HIS 69 0.407 -6.335 -6.318 522 H GLY 70 H GLY 70 6.330 -6.975 -3.015 523 HA2 GLY 70 2HA GLY 70 8.240 -8.480 -2.714 524 HA3 GLY 70 1HA GLY 70 8.959 -7.738 -4.135 525 H LEU 71 H LEU 71 7.663 -5.161 -2.769 526 HA LEU 71 HA LEU 71 10.159 -4.291 -1.639 527 HB2 LEU 71 2HB LEU 71 7.454 -2.951 -1.728 528 HB3 LEU 71 1HB LEU 71 8.906 -2.191 -1.119 529 HG LEU 71 HG LEU 71 8.252 -2.929 -3.957 530 HD11 LEU 71 1HD1 LEU 71 8.362 -0.637 -4.379 531 HD12 LEU 71 2HD1 LEU 71 9.233 -0.308 -2.882 532 HD13 LEU 71 3HD1 LEU 71 7.523 -0.737 -2.827 533 HD21 LEU 71 3HD2 LEU 71 10.921 -2.126 -2.809 534 HD22 LEU 71 1HD2 LEU 71 10.523 -2.112 -4.526 535 HD23 LEU 71 2HD2 LEU 71 10.529 -3.634 -3.637 536 H VAL 72 H VAL 72 10.611 -3.816 0.498 537 HA VAL 72 HA VAL 72 9.119 -5.333 2.435 538 HB VAL 72 HB VAL 72 11.714 -4.776 2.302 539 HG11 VAL 72 1HG1 VAL 72 10.848 -2.701 4.291 540 HG12 VAL 72 2HG1 VAL 72 11.233 -2.313 2.616 541 HG13 VAL 72 3HG1 VAL 72 12.467 -3.015 3.661 542 HG21 VAL 72 3HG2 VAL 72 11.960 -5.528 4.517 543 HG22 VAL 72 1HG2 VAL 72 10.475 -6.263 3.914 544 HG23 VAL 72 2HG2 VAL 72 10.396 -4.872 4.995 545 H HIS 73 H HIS 73 8.458 -4.245 4.545 546 HA HIS 73 HA HIS 73 6.369 -2.526 4.234 547 HB2 HIS 73 2HB HIS 73 6.880 -3.705 6.346 548 HB3 HIS 73 1HB HIS 73 8.215 -2.614 6.627 549 HD1 HIS 73 1HD HIS 73 4.418 -2.589 6.504 550 HD2 HIS 73 2HD HIS 73 7.604 -0.219 7.726 551 HE1 HIS 73 1HE HIS 73 3.415 -0.643 7.754 552 H THR 74 H THR 74 9.618 -1.596 5.189 553 HA THR 74 HA THR 74 9.007 1.166 5.298 554 HB THR 74 HB THR 74 11.285 1.441 5.925 555 HG1 THR 74 1HG THR 74 12.755 -0.394 5.637 556 HG21 THR 74 3HG2 THR 74 10.192 0.417 7.716 557 HG22 THR 74 1HG2 THR 74 11.582 -0.638 7.469 558 HG23 THR 74 2HG2 THR 74 9.990 -1.116 6.854 559 H GLU 75 H GLU 75 9.911 -0.914 2.704 560 HA GLU 75 HA GLU 75 11.202 1.052 1.106 561 HB2 GLU 75 2HB GLU 75 10.151 -1.689 0.651 562 HB3 GLU 75 1HB GLU 75 10.435 -0.663 -0.743 563 HG2 GLU 75 2HG GLU 75 12.761 -0.312 0.057 564 HG3 GLU 75 1HG GLU 75 12.449 -1.497 1.321 565 H VAL 76 H VAL 76 7.851 -0.164 1.279 566 HA VAL 76 HA VAL 76 6.930 1.396 -0.898 567 HB VAL 76 HB VAL 76 4.649 1.140 0.077 568 HG11 VAL 76 1HG1 VAL 76 6.256 -1.388 -0.166 569 HG12 VAL 76 2HG1 VAL 76 5.567 -0.462 -1.499 570 HG13 VAL 76 3HG1 VAL 76 4.505 -1.251 -0.334 571 HG21 VAL 76 3HG2 VAL 76 6.153 0.250 2.404 572 HG22 VAL 76 1HG2 VAL 76 4.858 -0.850 1.933 573 HG23 VAL 76 2HG2 VAL 76 4.488 0.845 2.285 574 H VAL 77 H VAL 77 6.869 1.932 2.591 575 HA VAL 77 HA VAL 77 5.733 4.436 2.708 576 HB VAL 77 HB VAL 77 8.001 3.434 4.402 577 HG11 VAL 77 1HG1 VAL 77 7.481 5.018 5.993 578 HG12 VAL 77 2HG1 VAL 77 5.847 5.246 5.370 579 HG13 VAL 77 3HG1 VAL 77 7.222 5.910 4.490 580 HG21 VAL 77 3HG2 VAL 77 6.353 1.760 4.513 581 HG22 VAL 77 1HG2 VAL 77 5.042 2.938 4.564 582 HG23 VAL 77 2HG2 VAL 77 6.110 2.744 5.955 583 H GLU 78 H GLU 78 9.142 3.575 2.234 584 HA GLU 78 HA GLU 78 10.132 6.198 2.087 585 HB2 GLU 78 2HB GLU 78 11.136 3.551 1.124 586 HB3 GLU 78 1HB GLU 78 11.965 5.029 0.648 587 HG2 GLU 78 2HG GLU 78 11.951 5.568 3.161 588 HG3 GLU 78 1HG GLU 78 11.626 3.849 3.358 589 H LEU 79 H LEU 79 9.026 3.956 -0.415 590 HA LEU 79 HA LEU 79 9.589 5.459 -2.681 591 HB2 LEU 79 2HB LEU 79 8.129 3.135 -2.078 592 HB3 LEU 79 1HB LEU 79 7.010 4.182 -2.924 593 HG LEU 79 HG LEU 79 7.999 2.778 -4.559 594 HD11 LEU 79 1HD1 LEU 79 9.518 5.372 -4.730 595 HD12 LEU 79 2HD1 LEU 79 7.813 5.191 -5.143 596 HD13 LEU 79 3HD1 LEU 79 9.040 4.316 -6.058 597 HD21 LEU 79 3HD2 LEU 79 9.911 2.039 -3.203 598 HD22 LEU 79 1HD2 LEU 79 10.701 3.588 -3.495 599 HD23 LEU 79 2HD2 LEU 79 10.388 2.489 -4.840 600 H ILE 80 H ILE 80 6.819 5.609 -0.512 601 HA ILE 80 HA ILE 80 5.356 7.518 -1.994 602 HB ILE 80 HB ILE 80 5.223 6.553 0.854 603 HG12 ILE 80 2HG1 ILE 80 3.061 6.301 -1.188 604 HG13 ILE 80 1HG1 ILE 80 4.493 5.293 -1.361 605 HG21 ILE 80 1HG2 ILE 80 4.411 8.723 1.093 606 HG22 ILE 80 2HG2 ILE 80 2.960 7.757 0.820 607 HG23 ILE 80 3HG2 ILE 80 3.647 8.712 -0.494 608 HD11 ILE 80 3HD1 ILE 80 2.738 4.123 -0.187 609 HD12 ILE 80 1HD1 ILE 80 2.673 5.402 1.024 610 HD13 ILE 80 2HD1 ILE 80 4.115 4.400 0.879 611 H LEU 81 H LEU 81 7.366 7.822 0.945 612 HA LEU 81 HA LEU 81 7.160 10.607 1.209 613 HB2 LEU 81 2HB LEU 81 9.538 8.910 1.973 614 HB3 LEU 81 1HB LEU 81 9.108 10.477 2.633 615 HG LEU 81 HG LEU 81 7.506 7.946 2.976 616 HD11 LEU 81 1HD1 LEU 81 9.610 7.877 4.192 617 HD12 LEU 81 2HD1 LEU 81 8.248 8.056 5.300 618 HD13 LEU 81 3HD1 LEU 81 9.257 9.448 4.910 619 HD21 LEU 81 3HD2 LEU 81 7.117 10.766 3.927 620 HD22 LEU 81 1HD2 LEU 81 6.370 9.388 4.739 621 HD23 LEU 81 2HD2 LEU 81 5.985 9.735 3.054 622 H LYS 82 H LYS 82 9.299 8.590 -0.665 623 HA LYS 82 HA LYS 82 11.210 10.411 -1.513 624 HB2 LYS 82 2HB LYS 82 11.032 7.876 -1.792 625 HB3 LYS 82 1HB LYS 82 10.118 8.268 -3.221 626 HG2 LYS 82 2HG LYS 82 12.109 9.658 -3.948 627 HG3 LYS 82 1HG LYS 82 12.992 8.823 -2.667 628 HD2 LYS 82 2HD LYS 82 11.493 7.461 -4.897 629 HD3 LYS 82 1HD LYS 82 13.237 7.745 -4.885 630 HE2 LYS 82 2HE LYS 82 13.147 6.498 -2.600 631 HE3 LYS 82 1HE LYS 82 11.600 5.898 -3.193 632 HZ1 LYS 82 3HZ LYS 82 14.286 5.481 -4.361 633 HZ2 LYS 82 1HZ LYS 82 12.869 5.182 -5.236 634 HZ3 LYS 82 2HZ LYS 82 13.187 4.314 -3.822 635 H SER 83 H SER 83 8.088 9.591 -2.892 636 HA SER 83 HA SER 83 8.203 11.006 -5.257 637 HB2 SER 83 2HB SER 83 6.389 9.457 -4.687 638 HB3 SER 83 1HB SER 83 5.792 10.592 -3.479 639 HG SER 83 HG SER 83 4.745 11.536 -5.011 640 H GLY 84 H GLY 84 7.471 12.235 -2.013 641 HA2 GLY 84 2HA GLY 84 8.332 14.584 -1.785 642 HA3 GLY 84 1HA GLY 84 7.379 14.934 -3.208 643 H ASN 85 H ASN 85 5.597 15.974 -2.791 644 HA ASN 85 HA ASN 85 4.418 15.778 -0.116 645 HB2 ASN 85 2HB ASN 85 3.179 17.824 -0.748 646 HB3 ASN 85 1HB ASN 85 4.921 18.031 -0.824 647 HD21 ASN 85 1HD2 ASN 85 5.908 18.324 -2.820 648 HD22 ASN 85 2HD2 ASN 85 5.004 18.699 -4.246 649 H LYS 86 H LYS 86 4.109 14.143 -2.775 650 HA LYS 86 HA LYS 86 1.424 13.340 -2.223 651 HB2 LYS 86 2HB LYS 86 0.656 13.653 -4.531 652 HB3 LYS 86 1HB LYS 86 0.874 15.150 -3.681 653 HG2 LYS 86 2HG LYS 86 2.697 15.762 -4.969 654 HG3 LYS 86 1HG LYS 86 3.045 14.095 -5.435 655 HD2 LYS 86 2HD LYS 86 1.073 14.042 -6.846 656 HD3 LYS 86 1HD LYS 86 0.628 15.667 -6.325 657 HE2 LYS 86 2HE LYS 86 1.638 15.872 -8.463 658 HE3 LYS 86 1HE LYS 86 2.804 16.466 -7.284 659 HZ1 LYS 86 3HZ LYS 86 2.870 13.689 -8.309 660 HZ2 LYS 86 1HZ LYS 86 4.089 14.535 -7.495 661 HZ3 LYS 86 2HZ LYS 86 3.683 14.959 -9.079 662 H VAL 87 H VAL 87 0.776 11.674 -3.962 663 HA VAL 87 HA VAL 87 2.881 10.292 -5.302 664 HB VAL 87 HB VAL 87 3.471 9.777 -2.945 665 HG11 VAL 87 1HG1 VAL 87 1.266 9.675 -1.958 666 HG12 VAL 87 2HG1 VAL 87 2.106 8.144 -1.709 667 HG13 VAL 87 3HG1 VAL 87 0.861 8.274 -2.951 668 HG21 VAL 87 3HG2 VAL 87 2.727 7.515 -4.774 669 HG22 VAL 87 1HG2 VAL 87 3.630 7.283 -3.276 670 HG23 VAL 87 2HG2 VAL 87 4.303 8.282 -4.562 671 H ALA 88 H ALA 88 2.221 8.608 -6.563 672 HA ALA 88 HA ALA 88 -0.671 8.358 -6.952 673 HB1 ALA 88 1HB ALA 88 0.685 8.876 -8.909 674 HB2 ALA 88 2HB ALA 88 -0.093 7.300 -9.082 675 HB3 ALA 88 3HB ALA 88 1.616 7.402 -8.660 676 H ILE 89 H ILE 89 -1.337 6.944 -5.351 677 HA ILE 89 HA ILE 89 0.051 4.405 -5.075 678 HB ILE 89 HB ILE 89 -0.652 5.384 -3.011 679 HG12 ILE 89 2HG1 ILE 89 -2.649 3.192 -3.460 680 HG13 ILE 89 1HG1 ILE 89 -0.921 2.864 -3.459 681 HG21 ILE 89 1HG2 ILE 89 -2.452 6.801 -3.762 682 HG22 ILE 89 2HG2 ILE 89 -3.022 5.757 -2.460 683 HG23 ILE 89 3HG2 ILE 89 -3.446 5.393 -4.132 684 HD11 ILE 89 3HD1 ILE 89 -2.171 2.512 -1.287 685 HD12 ILE 89 1HD1 ILE 89 -2.280 4.269 -1.191 686 HD13 ILE 89 2HD1 ILE 89 -0.701 3.485 -1.210 687 H SER 90 H SER 90 -0.357 2.840 -6.496 688 HA SER 90 HA SER 90 -2.918 2.783 -7.876 689 HB2 SER 90 2HB SER 90 -0.406 2.355 -8.757 690 HB3 SER 90 1HB SER 90 -0.876 0.698 -8.386 691 HG SER 90 HG SER 90 -2.833 2.025 -9.723 692 H THR 91 H THR 91 -4.517 1.857 -6.764 693 HA THR 91 HA THR 91 -3.940 -0.598 -5.266 694 HB THR 91 HB THR 91 -6.079 -0.233 -4.127 695 HG1 THR 91 1HG THR 91 -7.468 1.193 -4.809 696 HG21 THR 91 3HG2 THR 91 -4.299 2.203 -4.108 697 HG22 THR 91 1HG2 THR 91 -4.053 0.728 -3.174 698 HG23 THR 91 2HG2 THR 91 -5.450 1.753 -2.849 699 H THR 92 H THR 92 -5.928 -2.171 -5.272 700 HA THR 92 HA THR 92 -6.481 -2.589 -8.135 701 HB THR 92 HB THR 92 -5.252 -4.410 -7.158 702 HG1 THR 92 1HG THR 92 -7.789 -5.575 -7.298 703 HG21 THR 92 3HG2 THR 92 -7.534 -4.767 -5.219 704 HG22 THR 92 1HG2 THR 92 -5.955 -4.093 -4.816 705 HG23 THR 92 2HG2 THR 92 -6.091 -5.771 -5.343 706 HA PRO 93 HA PRO 93 -10.749 -1.328 -7.218 707 HB2 PRO 93 2HB PRO 93 -10.933 -2.237 -10.051 708 HB3 PRO 93 1HB PRO 93 -11.592 -0.784 -9.290 709 HG2 PRO 93 2HG PRO 93 -9.416 -0.653 -10.816 710 HG3 PRO 93 1HG PRO 93 -9.551 0.317 -9.344 711 HD2 PRO 93 2HD PRO 93 -7.940 -2.106 -9.858 712 HD3 PRO 93 1HD PRO 93 -7.589 -0.728 -8.812 713 H LEU 94 H LEU 94 -12.868 -2.417 -7.710 714 HA LEU 94 HA LEU 94 -12.869 -5.046 -6.692 715 HB2 LEU 94 2HB LEU 94 -15.333 -4.537 -7.999 716 HB3 LEU 94 1HB LEU 94 -14.995 -4.521 -6.295 717 HG LEU 94 HG LEU 94 -14.193 -2.094 -6.700 718 HD11 LEU 94 1HD1 LEU 94 -14.160 -1.800 -8.968 719 HD12 LEU 94 2HD1 LEU 94 -15.773 -1.186 -8.584 720 HD13 LEU 94 3HD1 LEU 94 -15.576 -2.819 -9.219 721 HD21 LEU 94 3HD2 LEU 94 -16.164 -2.750 -5.395 722 HD22 LEU 94 1HD2 LEU 94 -17.113 -2.813 -6.878 723 HD23 LEU 94 2HD2 LEU 94 -16.447 -1.278 -6.325 724 H GLU 95 H GLU 95 -14.070 -6.862 -7.771 725 HA GLU 95 HA GLU 95 -13.973 -6.987 -10.648 726 HB2 GLU 95 2HB GLU 95 -12.393 -8.782 -10.836 727 HB3 GLU 95 1HB GLU 95 -11.617 -7.483 -9.946 728 HG2 GLU 95 2HG GLU 95 -12.906 -9.834 -8.598 729 HG3 GLU 95 1HG GLU 95 -11.226 -9.835 -9.122 730 H ASN 96 H ASN 96 -14.826 -9.080 -11.432 731 HA ASN 96 HA ASN 96 -17.091 -9.849 -9.861 732 HB2 ASN 96 2HB ASN 96 -17.737 -11.211 -11.753 733 HB3 ASN 96 1HB ASN 96 -17.185 -9.648 -12.339 734 HD21 ASN 96 1HD2 ASN 96 -15.203 -9.512 -13.427 735 HD22 ASN 96 2HD2 ASN 96 -14.436 -10.912 -14.093 736 H1 SER 101 1HT SER 101 -4.467 -15.565 0.659 737 H2 SER 101 2HT SER 101 -4.581 -16.922 -0.341 738 H3 SER 101 3HT SER 101 -3.152 -16.027 -0.296 739 HA SER 101 HA SER 101 -4.293 -17.528 1.975 740 HB2 SER 101 2HB SER 101 -1.826 -18.229 0.377 741 HB3 SER 101 1HB SER 101 -2.664 -19.220 1.573 742 HG SER 101 HG SER 101 -3.811 -19.962 -0.014 743 H TRP 102 H TRP 102 -3.957 -15.815 3.397 744 HA TRP 102 HA TRP 102 -1.147 -15.403 4.094 745 HB2 TRP 102 2HB TRP 102 -1.604 -13.390 2.913 746 HB3 TRP 102 1HB TRP 102 -3.203 -13.241 3.628 747 HD1 TRP 102 HD TRP 102 0.408 -13.394 5.083 748 HE1 TRP 102 1HE TRP 102 0.595 -11.583 6.902 749 HE3 TRP 102 3HE TRP 102 -4.318 -11.458 4.792 750 HZ2 TRP 102 2HZ TRP 102 -1.039 -9.589 8.052 751 HZ3 TRP 102 3HZ TRP 102 -4.920 -9.595 6.283 752 HH2 TRP 102 HH TRP 102 -3.315 -8.682 7.877 753 H GLU 103 H GLU 103 -0.800 -15.762 6.176 754 HA GLU 103 HA GLU 103 -3.022 -16.302 7.920 755 HB2 GLU 103 2HB GLU 103 -0.033 -16.419 8.309 756 HB3 GLU 103 1HB GLU 103 -1.165 -16.717 9.620 757 HG2 GLU 103 2HG GLU 103 -0.670 -18.837 8.871 758 HG3 GLU 103 1HG GLU 103 -2.182 -18.475 8.044 759 H SER 104 H SER 104 -0.153 -14.594 8.990 760 HA SER 104 HA SER 104 -1.688 -12.184 9.528 761 HB2 SER 104 2HB SER 104 -0.129 -13.536 11.734 762 HB3 SER 104 1HB SER 104 -1.197 -12.139 11.865 763 HG SER 104 HG SER 104 -2.184 -14.101 12.574 764 H HIS 105 H HIS 105 0.184 -10.892 11.114 765 HA HIS 105 HA HIS 105 1.997 -9.966 9.191 766 HB2 HIS 105 2HB HIS 105 1.554 -9.491 12.085 767 HB3 HIS 105 1HB HIS 105 3.123 -9.037 11.431 768 HD2 HIS 105 2HD HIS 105 3.116 -6.969 9.578 769 HE1 HIS 105 1HE HIS 105 -0.916 -5.902 10.278 770 HE2 HIS 105 2HE HIS 105 1.316 -5.117 9.350 771 H LYS 106 H LYS 106 3.812 -10.783 8.483 772 HA LYS 106 HA LYS 106 5.471 -12.385 10.307 773 HB2 LYS 106 2HB LYS 106 4.861 -13.017 7.410 774 HB3 LYS 106 1HB LYS 106 6.054 -13.858 8.389 775 HG2 LYS 106 2HG LYS 106 4.219 -14.520 9.937 776 HG3 LYS 106 1HG LYS 106 3.074 -13.817 8.793 777 HD2 LYS 106 2HD LYS 106 3.865 -15.351 7.059 778 HD3 LYS 106 1HD LYS 106 5.012 -16.052 8.202 779 HE2 LYS 106 2HE LYS 106 3.078 -16.658 9.654 780 HE3 LYS 106 1HE LYS 106 2.007 -16.116 8.364 781 HZ1 LYS 106 3HZ LYS 106 3.278 -18.602 8.649 782 HZ2 LYS 106 1HZ LYS 106 3.865 -17.865 7.241 783 HZ3 LYS 106 2HZ LYS 106 2.194 -18.103 7.443 784 H SER 107 H SER 107 5.251 -9.620 8.889 785 HA SER 107 HA SER 107 8.009 -9.519 7.885 786 HB2 SER 107 2HB SER 107 6.121 -7.311 7.272 787 HB3 SER 107 1HB SER 107 7.357 -8.047 6.255 788 HG SER 107 HG SER 107 5.127 -8.479 5.630 789 H GLY 108 H GLY 108 9.291 -7.708 8.525 790 HA2 GLY 108 2HA GLY 108 8.623 -6.777 11.198 791 HA3 GLY 108 1HA GLY 108 10.165 -6.584 10.382 792 H GLY 109 H GLY 109 8.105 -4.769 11.796 793 HA2 GLY 109 2HA GLY 109 8.153 -2.400 11.583 794 HA3 GLY 109 1HA GLY 109 8.392 -2.590 9.853 795 H GLU 110 H GLU 110 6.340 -1.232 11.730 796 HA GLU 110 HA GLU 110 4.101 -1.666 9.961 797 HB2 GLU 110 2HB GLU 110 4.130 -2.795 12.649 798 HB3 GLU 110 1HB GLU 110 2.775 -1.716 12.380 799 HG2 GLU 110 2HG GLU 110 3.503 -4.150 10.776 800 HG3 GLU 110 1HG GLU 110 2.106 -3.945 11.833 801 H THR 111 H THR 111 4.892 0.505 9.536 802 HA THR 111 HA THR 111 3.939 2.458 11.513 803 HB THR 111 HB THR 111 6.375 2.586 10.720 804 HG1 THR 111 1HG THR 111 5.816 4.437 11.639 805 HG21 THR 111 3HG2 THR 111 6.755 3.759 8.586 806 HG22 THR 111 1HG2 THR 111 5.035 3.619 8.217 807 HG23 THR 111 2HG2 THR 111 6.031 2.169 8.344 808 H ARG 112 H ARG 112 3.247 4.565 10.181 809 HA ARG 112 HA ARG 112 1.569 3.706 7.943 810 HB2 ARG 112 2HB ARG 112 -0.050 3.687 9.570 811 HB3 ARG 112 1HB ARG 112 0.725 4.946 10.520 812 HG2 ARG 112 2HG ARG 112 -0.107 6.076 8.040 813 HG3 ARG 112 1HG ARG 112 -1.455 5.179 8.738 814 HD2 ARG 112 2HD ARG 112 -1.591 7.396 9.571 815 HD3 ARG 112 1HD ARG 112 -1.015 6.380 10.892 816 HE ARG 112 HE ARG 112 0.795 8.046 9.245 817 HH11 ARG 112 1HH1 ARG 112 -0.317 6.874 12.375 818 HH12 ARG 112 2HH1 ARG 112 0.938 7.682 13.255 819 HH21 ARG 112 1HH2 ARG 112 2.426 9.117 10.426 820 HH22 ARG 112 2HH2 ARG 112 2.500 8.950 12.151 821 H LEU 113 H LEU 113 1.012 5.368 6.468 822 HA LEU 113 HA LEU 113 3.098 7.332 6.184 823 HB2 LEU 113 2HB LEU 113 0.781 6.416 4.519 824 HB3 LEU 113 1HB LEU 113 1.583 7.916 4.124 825 HG LEU 113 HG LEU 113 2.499 6.236 2.722 826 HD11 LEU 113 1HD1 LEU 113 4.835 6.274 3.288 827 HD12 LEU 113 2HD1 LEU 113 4.454 6.705 4.954 828 HD13 LEU 113 3HD1 LEU 113 4.101 7.835 3.649 829 HD21 LEU 113 3HD2 LEU 113 3.476 4.179 3.538 830 HD22 LEU 113 1HD2 LEU 113 1.790 4.296 4.038 831 HD23 LEU 113 2HD2 LEU 113 3.077 4.623 5.199 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -9.810 -12.261 -13.048 2 H2 GLY 1 2HT GLY 1 -8.980 -11.219 -14.084 3 H3 GLY 1 3HT GLY 1 -10.669 -11.175 -14.015 4 HA2 GLY 1 1HA GLY 1 -10.546 -10.454 -11.690 5 HA3 GLY 1 2HA GLY 1 -8.798 -10.399 -11.855 6 H GLY 2 H GLY 2 -7.855 -8.821 -13.229 7 HA2 GLY 2 2HA GLY 2 -9.375 -6.911 -14.662 8 HA3 GLY 2 1HA GLY 2 -8.979 -6.289 -13.065 9 H SER 3 H SER 3 -7.952 -4.766 -14.833 10 HA SER 3 HA SER 3 -5.111 -5.260 -14.691 11 HB2 SER 3 2HB SER 3 -6.503 -5.017 -17.370 12 HB3 SER 3 1HB SER 3 -4.761 -4.876 -17.140 13 HG SER 3 HG SER 3 -5.764 -7.125 -15.975 14 H MET 4 H MET 4 -3.862 -3.387 -15.173 15 HA MET 4 HA MET 4 -3.367 -1.190 -15.047 16 HB2 MET 4 2HB MET 4 -5.941 -0.979 -16.595 17 HB3 MET 4 1HB MET 4 -4.907 0.403 -16.255 18 HG2 MET 4 2HG MET 4 -3.071 -0.666 -17.446 19 HG3 MET 4 1HG MET 4 -4.097 -2.060 -17.774 20 HE1 MET 4 3HE MET 4 -5.211 1.769 -17.878 21 HE2 MET 4 1HE MET 4 -4.757 2.150 -19.538 22 HE3 MET 4 2HE MET 4 -3.515 1.732 -18.359 23 H ARG 5 H ARG 5 -3.592 -1.369 -12.754 24 HA ARG 5 HA ARG 5 -6.002 -0.588 -11.453 25 HB2 ARG 5 2HB ARG 5 -3.156 -0.779 -10.455 26 HB3 ARG 5 1HB ARG 5 -4.520 -0.378 -9.424 27 HG2 ARG 5 2HG ARG 5 -4.298 -2.625 -9.036 28 HG3 ARG 5 1HG ARG 5 -5.503 -2.623 -10.328 29 HD2 ARG 5 2HD ARG 5 -3.601 -2.909 -11.942 30 HD3 ARG 5 1HD ARG 5 -2.546 -3.160 -10.553 31 HE ARG 5 HE ARG 5 -4.435 -4.992 -10.117 32 HH11 ARG 5 1HH1 ARG 5 -2.660 -4.169 -13.018 33 HH12 ARG 5 2HH1 ARG 5 -2.736 -5.774 -13.670 34 HH21 ARG 5 1HH2 ARG 5 -4.519 -7.110 -10.968 35 HH22 ARG 5 2HH2 ARG 5 -3.786 -7.447 -12.506 36 HA PRO 6 HA PRO 6 -5.333 3.773 -12.022 37 HB2 PRO 6 2HB PRO 6 -7.508 4.358 -10.238 38 HB3 PRO 6 1HB PRO 6 -7.528 4.341 -12.001 39 HG2 PRO 6 2HG PRO 6 -8.897 2.535 -10.453 40 HG3 PRO 6 1HG PRO 6 -8.336 2.193 -12.095 41 HD2 PRO 6 2HD PRO 6 -7.075 1.507 -9.463 42 HD3 PRO 6 1HD PRO 6 -7.348 0.482 -10.886 43 HA PRO 7 HA PRO 7 -2.999 4.557 -8.198 44 HB2 PRO 7 2HB PRO 7 -1.891 6.770 -9.742 45 HB3 PRO 7 1HB PRO 7 -1.062 5.430 -8.956 46 HG2 PRO 7 2HG PRO 7 -1.258 5.611 -11.627 47 HG3 PRO 7 1HG PRO 7 -1.288 4.049 -10.788 48 HD2 PRO 7 2HD PRO 7 -3.570 5.634 -11.922 49 HD3 PRO 7 1HD PRO 7 -3.288 3.878 -11.958 50 H ILE 8 H ILE 8 -3.849 5.661 -6.605 51 HA ILE 8 HA ILE 8 -5.412 8.053 -7.143 52 HB ILE 8 HB ILE 8 -4.985 6.799 -4.450 53 HG12 ILE 8 2HG1 ILE 8 -7.032 5.931 -6.485 54 HG13 ILE 8 1HG1 ILE 8 -5.550 5.069 -6.160 55 HG21 ILE 8 1HG2 ILE 8 -7.208 7.637 -4.036 56 HG22 ILE 8 2HG2 ILE 8 -7.342 8.168 -5.709 57 HG23 ILE 8 3HG2 ILE 8 -6.180 8.942 -4.630 58 HD11 ILE 8 3HD1 ILE 8 -7.271 3.973 -4.983 59 HD12 ILE 8 1HD1 ILE 8 -7.846 5.495 -4.301 60 HD13 ILE 8 2HD1 ILE 8 -6.290 4.836 -3.803 61 H ILE 9 H ILE 9 -4.400 9.927 -7.092 62 HA ILE 9 HA ILE 9 -1.762 10.161 -5.985 63 HB ILE 9 HB ILE 9 -3.340 12.522 -6.919 64 HG12 ILE 9 2HG1 ILE 9 -3.690 10.700 -8.590 65 HG13 ILE 9 1HG1 ILE 9 -2.797 12.073 -9.230 66 HG21 ILE 9 1HG2 ILE 9 -1.130 12.888 -5.977 67 HG22 ILE 9 2HG2 ILE 9 -1.135 13.272 -7.698 68 HG23 ILE 9 3HG2 ILE 9 -0.425 11.755 -7.132 69 HD11 ILE 9 3HD1 ILE 9 -1.836 10.015 -10.016 70 HD12 ILE 9 1HD1 ILE 9 -1.643 9.439 -8.361 71 HD13 ILE 9 2HD1 ILE 9 -0.706 10.821 -8.927 72 H ILE 10 H ILE 10 -1.646 10.189 -3.799 73 HA ILE 10 HA ILE 10 -3.529 11.732 -2.222 74 HB ILE 10 HB ILE 10 -0.864 10.602 -1.288 75 HG12 ILE 10 2HG1 ILE 10 -3.295 9.226 -0.426 76 HG13 ILE 10 1HG1 ILE 10 -2.939 9.035 -2.113 77 HG21 ILE 10 1HG2 ILE 10 -2.218 10.595 0.917 78 HG22 ILE 10 2HG2 ILE 10 -3.250 11.760 0.091 79 HG23 ILE 10 3HG2 ILE 10 -1.539 12.113 0.330 80 HD11 ILE 10 3HD1 ILE 10 -0.628 8.348 -1.442 81 HD12 ILE 10 1HD1 ILE 10 -1.934 7.236 -1.030 82 HD13 ILE 10 2HD1 ILE 10 -1.254 8.287 0.207 83 H HIS 11 H HIS 11 -2.729 13.560 -0.863 84 HA HIS 11 HA HIS 11 -0.325 14.851 -1.867 85 HB2 HIS 11 2HB HIS 11 -2.204 15.785 -3.198 86 HB3 HIS 11 1HB HIS 11 -3.017 16.255 -1.710 87 HD2 HIS 11 2HD HIS 11 0.463 17.092 -3.400 88 HE1 HIS 11 1HE HIS 11 -1.040 20.480 -1.357 89 HE2 HIS 11 2HE HIS 11 0.941 19.519 -2.613 90 H ARG 12 H ARG 12 0.850 15.156 -0.137 91 HA ARG 12 HA ARG 12 -0.101 15.013 2.510 92 HB2 ARG 12 2HB ARG 12 2.218 14.522 1.697 93 HB3 ARG 12 1HB ARG 12 2.472 16.251 1.531 94 HG2 ARG 12 2HG ARG 12 2.238 16.576 3.890 95 HG3 ARG 12 1HG ARG 12 1.780 14.885 4.118 96 HD2 ARG 12 2HD ARG 12 3.953 14.162 3.349 97 HD3 ARG 12 1HD ARG 12 4.416 15.828 3.018 98 HE ARG 12 HE ARG 12 3.673 15.171 5.763 99 HH11 ARG 12 1HH1 ARG 12 6.233 15.765 3.438 100 HH12 ARG 12 2HH1 ARG 12 7.436 16.056 4.653 101 HH21 ARG 12 1HH2 ARG 12 5.267 15.551 7.355 102 HH22 ARG 12 2HH2 ARG 12 6.886 15.942 6.872 103 H ALA 13 H ALA 13 -1.655 16.473 3.015 104 HA ALA 13 HA ALA 13 -1.428 19.269 2.396 105 HB1 ALA 13 1HB ALA 13 -3.524 19.460 3.709 106 HB2 ALA 13 2HB ALA 13 -3.394 17.744 4.099 107 HB3 ALA 13 3HB ALA 13 -3.609 18.254 2.425 108 H GLY 14 H GLY 14 0.828 18.901 3.662 109 HA2 GLY 14 2HA GLY 14 2.078 19.869 5.338 110 HA3 GLY 14 1HA GLY 14 0.596 20.542 5.996 111 H LYS 15 H LYS 15 0.283 17.233 5.592 112 HA LYS 15 HA LYS 15 1.264 16.688 8.297 113 HB2 LYS 15 2HB LYS 15 -0.878 15.159 8.441 114 HB3 LYS 15 1HB LYS 15 -0.943 16.857 8.882 115 HG2 LYS 15 2HG LYS 15 -1.986 17.436 6.824 116 HG3 LYS 15 1HG LYS 15 -1.696 15.831 6.154 117 HD2 LYS 15 2HD LYS 15 -3.975 15.866 6.795 118 HD3 LYS 15 1HD LYS 15 -3.139 14.931 8.034 119 HE2 LYS 15 2HE LYS 15 -3.047 16.970 9.444 120 HE3 LYS 15 1HE LYS 15 -3.993 17.818 8.223 121 HZ1 LYS 15 3HZ LYS 15 -5.459 17.072 9.918 122 HZ2 LYS 15 1HZ LYS 15 -4.854 15.495 9.858 123 HZ3 LYS 15 2HZ LYS 15 -5.744 16.111 8.559 124 H LYS 16 H LYS 16 -0.639 14.529 6.257 125 HA LYS 16 HA LYS 16 1.690 13.059 5.379 126 HB2 LYS 16 2HB LYS 16 0.773 10.927 6.451 127 HB3 LYS 16 1HB LYS 16 1.572 12.067 7.519 128 HG2 LYS 16 2HG LYS 16 -0.731 12.969 8.061 129 HG3 LYS 16 1HG LYS 16 -1.365 11.544 7.234 130 HD2 LYS 16 2HD LYS 16 -0.363 10.078 8.795 131 HD3 LYS 16 1HD LYS 16 0.632 11.367 9.473 132 HE2 LYS 16 2HE LYS 16 -1.393 12.475 10.302 133 HE3 LYS 16 1HE LYS 16 -2.370 11.159 9.654 134 HZ1 LYS 16 3HZ LYS 16 -0.237 10.805 11.689 135 HZ2 LYS 16 1HZ LYS 16 -1.340 9.637 11.160 136 HZ3 LYS 16 2HZ LYS 16 -1.876 10.964 12.058 137 H TYR 17 H TYR 17 0.610 10.721 4.593 138 HA TYR 17 HA TYR 17 -1.270 11.591 2.556 139 HB2 TYR 17 2HB TYR 17 0.010 8.864 2.756 140 HB3 TYR 17 1HB TYR 17 -0.721 9.621 1.324 141 HD1 TYR 17 2HD TYR 17 0.392 11.453 0.194 142 HD2 TYR 17 1HD TYR 17 2.276 9.475 3.441 143 HE1 TYR 17 2HE TYR 17 2.532 12.494 -0.429 144 HE2 TYR 17 1HE TYR 17 4.421 10.502 2.837 145 HH TYR 17 HH TYR 17 5.283 11.558 0.225 146 H GLY 18 H GLY 18 -1.496 10.588 5.564 147 HA2 GLY 18 2HA GLY 18 -3.143 9.770 6.879 148 HA3 GLY 18 1HA GLY 18 -4.210 10.315 5.620 149 H PHE 19 H PHE 19 -1.928 7.621 5.676 150 HA PHE 19 HA PHE 19 -4.021 5.720 6.086 151 HB2 PHE 19 2HB PHE 19 -4.127 4.635 4.017 152 HB3 PHE 19 1HB PHE 19 -4.240 6.319 3.644 153 HD1 PHE 19 2HD PHE 19 -1.967 7.486 3.013 154 HD2 PHE 19 1HD PHE 19 -2.659 3.293 2.906 155 HE1 PHE 19 2HE PHE 19 -0.062 7.207 1.468 156 HE2 PHE 19 1HE PHE 19 -0.758 3.007 1.375 157 HZ PHE 19 HZ PHE 19 0.542 4.966 0.652 158 H THR 20 H THR 20 -3.432 3.688 6.379 159 HA THR 20 HA THR 20 -0.641 3.307 7.214 160 HB THR 20 HB THR 20 -3.090 1.616 7.758 161 HG1 THR 20 1HG THR 20 -2.442 3.988 8.692 162 HG21 THR 20 3HG2 THR 20 -0.484 1.607 9.268 163 HG22 THR 20 1HG2 THR 20 -0.836 0.479 7.958 164 HG23 THR 20 2HG2 THR 20 -1.834 0.480 9.415 165 H LEU 21 H LEU 21 0.737 2.349 5.785 166 HA LEU 21 HA LEU 21 -0.310 0.501 3.800 167 HB2 LEU 21 2HB LEU 21 1.667 2.303 3.519 168 HB3 LEU 21 1HB LEU 21 2.626 0.948 4.043 169 HG LEU 21 HG LEU 21 2.496 -0.056 2.054 170 HD11 LEU 21 1HD1 LEU 21 0.194 -0.767 2.388 171 HD12 LEU 21 2HD1 LEU 21 0.454 -0.268 0.717 172 HD13 LEU 21 3HD1 LEU 21 -0.385 0.805 1.835 173 HD21 LEU 21 3HD2 LEU 21 1.268 2.525 1.132 174 HD22 LEU 21 1HD2 LEU 21 2.258 1.411 0.190 175 HD23 LEU 21 2HD2 LEU 21 2.973 2.319 1.524 176 H ARG 22 H ARG 22 -0.949 -1.164 5.212 177 HA ARG 22 HA ARG 22 0.817 -2.451 7.033 178 HB2 ARG 22 2HB ARG 22 -1.860 -2.535 6.596 179 HB3 ARG 22 1HB ARG 22 -1.374 -4.039 5.833 180 HG2 ARG 22 2HG ARG 22 -1.926 -4.596 8.037 181 HG3 ARG 22 1HG ARG 22 -0.163 -4.583 7.983 182 HD2 ARG 22 2HD ARG 22 -0.081 -2.439 9.043 183 HD3 ARG 22 1HD ARG 22 -1.832 -2.251 8.914 184 HE ARG 22 HE ARG 22 -1.569 -4.521 10.352 185 HH11 ARG 22 1HH1 ARG 22 -0.281 -1.285 10.743 186 HH12 ARG 22 2HH1 ARG 22 -0.136 -1.419 12.465 187 HH21 ARG 22 1HH2 ARG 22 -1.376 -4.694 12.605 188 HH22 ARG 22 2HH2 ARG 22 -0.722 -3.369 13.524 189 H ALA 23 H ALA 23 2.336 -3.983 6.654 190 HA ALA 23 HA ALA 23 2.705 -4.924 3.913 191 HB1 ALA 23 1HB ALA 23 4.504 -5.128 6.329 192 HB2 ALA 23 2HB ALA 23 4.657 -3.978 4.998 193 HB3 ALA 23 3HB ALA 23 4.908 -5.698 4.708 194 H ILE 24 H ILE 24 2.469 -7.032 3.302 195 HA ILE 24 HA ILE 24 2.281 -9.097 5.341 196 HB ILE 24 HB ILE 24 0.171 -9.967 4.080 197 HG12 ILE 24 2HG1 ILE 24 -0.256 -6.996 3.749 198 HG13 ILE 24 1HG1 ILE 24 0.270 -8.041 2.431 199 HG21 ILE 24 1HG2 ILE 24 0.083 -7.764 6.128 200 HG22 ILE 24 2HG2 ILE 24 0.210 -9.497 6.436 201 HG23 ILE 24 3HG2 ILE 24 -1.266 -8.831 5.737 202 HD11 ILE 24 3HD1 ILE 24 -1.792 -9.394 2.797 203 HD12 ILE 24 1HD1 ILE 24 -2.077 -7.746 2.246 204 HD13 ILE 24 2HD1 ILE 24 -2.326 -8.163 3.941 205 H ARG 25 H ARG 25 3.398 -10.782 4.682 206 HA ARG 25 HA ARG 25 3.947 -11.098 1.830 207 HB2 ARG 25 2HB ARG 25 5.193 -12.508 4.199 208 HB3 ARG 25 1HB ARG 25 5.722 -12.637 2.531 209 HG2 ARG 25 2HG ARG 25 6.230 -10.220 2.551 210 HG3 ARG 25 1HG ARG 25 5.839 -10.202 4.273 211 HD2 ARG 25 2HD ARG 25 7.944 -11.931 2.990 212 HD3 ARG 25 1HD ARG 25 8.252 -10.425 3.841 213 HE ARG 25 HE ARG 25 6.829 -12.043 5.584 214 HH11 ARG 25 1HH1 ARG 25 9.929 -12.052 3.967 215 HH12 ARG 25 2HH1 ARG 25 10.700 -13.038 5.169 216 HH21 ARG 25 1HH2 ARG 25 7.858 -13.353 7.184 217 HH22 ARG 25 2HH2 ARG 25 9.529 -13.769 6.992 218 H VAL 26 H VAL 26 2.258 -12.131 0.938 219 HA VAL 26 HA VAL 26 0.842 -14.217 2.298 220 HB VAL 26 HB VAL 26 -0.197 -14.525 -0.057 221 HG11 VAL 26 1HG1 VAL 26 -1.357 -12.144 0.351 222 HG12 VAL 26 2HG1 VAL 26 -0.535 -12.332 1.901 223 HG13 VAL 26 3HG1 VAL 26 -1.683 -13.555 1.359 224 HG21 VAL 26 3HG2 VAL 26 1.619 -13.285 -1.215 225 HG22 VAL 26 1HG2 VAL 26 1.053 -11.812 -0.433 226 HG23 VAL 26 2HG2 VAL 26 0.003 -12.669 -1.560 227 H TYR 27 H TYR 27 1.720 -16.129 2.593 228 HA TYR 27 HA TYR 27 3.669 -17.226 0.781 229 HB2 TYR 27 2HB TYR 27 2.373 -18.234 3.306 230 HB3 TYR 27 1HB TYR 27 3.430 -19.256 2.341 231 HD1 TYR 27 2HD TYR 27 3.318 -16.047 4.213 232 HD2 TYR 27 1HD TYR 27 5.762 -19.128 2.593 233 HE1 TYR 27 2HE TYR 27 5.268 -15.097 5.367 234 HE2 TYR 27 1HE TYR 27 7.720 -18.189 3.750 235 HH TYR 27 HH TYR 27 8.504 -16.241 4.780 236 H MET 28 H MET 28 2.816 -17.720 -1.149 237 HA MET 28 HA MET 28 0.605 -19.657 -1.177 238 HB2 MET 28 2HB MET 28 1.019 -17.331 -3.045 239 HB3 MET 28 1HB MET 28 -0.128 -18.618 -3.337 240 HG2 MET 28 2HG MET 28 -1.213 -18.010 -1.240 241 HG3 MET 28 1HG MET 28 -0.129 -16.641 -1.094 242 HE1 MET 28 3HE MET 28 0.076 -15.737 -4.229 243 HE2 MET 28 1HE MET 28 -0.020 -14.678 -2.822 244 HE3 MET 28 2HE MET 28 -1.137 -14.458 -4.168 245 H GLY 29 H GLY 29 1.075 -21.488 -2.189 246 HA2 GLY 29 2HA GLY 29 1.986 -22.339 -4.401 247 HA3 GLY 29 1HA GLY 29 3.476 -21.545 -3.901 248 H ASP 30 H ASP 30 3.568 -24.208 -4.468 249 HA ASP 30 HA ASP 30 3.120 -25.844 -2.188 250 HB2 ASP 30 2HB ASP 30 4.342 -27.575 -3.363 251 HB3 ASP 30 1HB ASP 30 3.259 -26.767 -4.481 252 H SER 31 H SER 31 6.017 -24.291 -3.507 253 HA SER 31 HA SER 31 7.708 -25.201 -1.380 254 HB2 SER 31 2HB SER 31 8.494 -22.866 -3.041 255 HB3 SER 31 1HB SER 31 9.412 -24.314 -2.625 256 HG SER 31 HG SER 31 7.746 -25.388 -4.083 257 H ASP 32 H ASP 32 9.136 -23.213 -0.414 258 HA ASP 32 HA ASP 32 7.323 -21.817 1.333 259 HB2 ASP 32 2HB ASP 32 9.897 -22.757 1.578 260 HB3 ASP 32 1HB ASP 32 10.152 -21.024 1.422 261 H VAL 33 H VAL 33 7.137 -21.087 -1.439 262 HA VAL 33 HA VAL 33 8.401 -18.533 -1.779 263 HB VAL 33 HB VAL 33 8.133 -19.864 -3.755 264 HG11 VAL 33 1HG1 VAL 33 6.288 -21.275 -3.112 265 HG12 VAL 33 2HG1 VAL 33 5.898 -20.478 -4.637 266 HG13 VAL 33 3HG1 VAL 33 5.183 -19.903 -3.130 267 HG21 VAL 33 3HG2 VAL 33 6.847 -18.340 -5.212 268 HG22 VAL 33 1HG2 VAL 33 7.934 -17.485 -4.117 269 HG23 VAL 33 2HG2 VAL 33 6.205 -17.546 -3.774 270 H TYR 34 H TYR 34 7.486 -16.589 -1.592 271 HA TYR 34 HA TYR 34 4.656 -16.345 -0.928 272 HB2 TYR 34 2HB TYR 34 5.207 -14.913 1.045 273 HB3 TYR 34 1HB TYR 34 5.680 -16.598 1.251 274 HD1 TYR 34 2HD TYR 34 8.041 -17.238 1.248 275 HD2 TYR 34 1HD TYR 34 6.873 -13.163 0.886 276 HE1 TYR 34 2HE TYR 34 10.335 -16.538 1.781 277 HE2 TYR 34 1HE TYR 34 9.169 -12.453 1.412 278 HH TYR 34 HH TYR 34 11.741 -14.233 1.157 279 H THR 35 H THR 35 3.833 -14.196 -1.218 280 HA THR 35 HA THR 35 5.668 -12.512 -2.793 281 HB THR 35 HB THR 35 3.015 -11.608 -3.148 282 HG1 THR 35 1HG THR 35 3.327 -14.435 -3.386 283 HG21 THR 35 3HG2 THR 35 3.434 -12.205 -5.485 284 HG22 THR 35 1HG2 THR 35 4.824 -13.170 -4.992 285 HG23 THR 35 2HG2 THR 35 4.840 -11.422 -4.764 286 H VAL 36 H VAL 36 6.235 -10.630 -1.975 287 HA VAL 36 HA VAL 36 5.119 -9.771 0.549 288 HB VAL 36 HB VAL 36 7.196 -8.296 -1.069 289 HG11 VAL 36 1HG1 VAL 36 7.918 -7.649 1.290 290 HG12 VAL 36 2HG1 VAL 36 6.360 -8.288 1.818 291 HG13 VAL 36 3HG1 VAL 36 6.422 -6.940 0.684 292 HG21 VAL 36 3HG2 VAL 36 7.967 -10.587 -0.812 293 HG22 VAL 36 1HG2 VAL 36 7.638 -10.524 0.920 294 HG23 VAL 36 2HG2 VAL 36 8.903 -9.510 0.223 295 H HIS 37 H HIS 37 3.131 -8.911 0.333 296 HA HIS 37 HA HIS 37 2.787 -6.757 -1.649 297 HB2 HIS 37 2HB HIS 37 0.732 -8.611 -0.427 298 HB3 HIS 37 1HB HIS 37 0.326 -7.201 -1.395 299 HD2 HIS 37 2HD HIS 37 0.030 -10.611 -2.060 300 HE1 HIS 37 1HE HIS 37 2.163 -9.287 -5.465 301 HE2 HIS 37 2HE HIS 37 0.957 -11.243 -4.399 302 H HIS 38 H HIS 38 0.767 -5.377 -0.822 303 HA HIS 38 HA HIS 38 0.934 -4.785 2.014 304 HB2 HIS 38 2HB HIS 38 1.576 -2.670 -0.067 305 HB3 HIS 38 1HB HIS 38 1.443 -2.407 1.667 306 HD2 HIS 38 2HD HIS 38 4.018 -3.275 -0.951 307 HE1 HIS 38 1HE HIS 38 5.744 -4.141 2.803 308 HE2 HIS 38 2HE HIS 38 6.109 -4.171 0.303 309 H MET 39 H MET 39 -0.808 -3.403 2.697 310 HA MET 39 HA MET 39 -2.864 -2.780 0.724 311 HB2 MET 39 2HB MET 39 -3.329 -4.669 3.049 312 HB3 MET 39 1HB MET 39 -4.619 -3.915 2.125 313 HG2 MET 39 2HG MET 39 -3.265 -5.047 0.121 314 HG3 MET 39 1HG MET 39 -2.828 -6.148 1.421 315 HE1 MET 39 3HE MET 39 -6.322 -7.444 2.617 316 HE2 MET 39 1HE MET 39 -5.418 -6.077 3.263 317 HE3 MET 39 2HE MET 39 -4.574 -7.560 2.825 318 H VAL 40 H VAL 40 -4.266 -1.176 1.404 319 HA VAL 40 HA VAL 40 -3.311 0.441 3.551 320 HB VAL 40 HB VAL 40 -4.176 1.600 1.653 321 HG11 VAL 40 1HG1 VAL 40 -6.554 1.475 1.000 322 HG12 VAL 40 2HG1 VAL 40 -6.765 0.140 2.132 323 HG13 VAL 40 3HG1 VAL 40 -5.685 -0.040 0.750 324 HG21 VAL 40 3HG2 VAL 40 -4.635 2.440 4.029 325 HG22 VAL 40 1HG2 VAL 40 -6.310 1.982 3.723 326 HG23 VAL 40 2HG2 VAL 40 -5.526 3.188 2.702 327 H TRP 41 H TRP 41 -3.551 -0.260 5.485 328 HA TRP 41 HA TRP 41 -5.665 -1.918 6.411 329 HB2 TRP 41 2HB TRP 41 -3.196 -1.522 7.254 330 HB3 TRP 41 1HB TRP 41 -3.977 -0.333 8.277 331 HD1 TRP 41 HD TRP 41 -4.065 -1.398 10.574 332 HE1 TRP 41 1HE TRP 41 -4.908 -3.620 11.539 333 HE3 TRP 41 3HE TRP 41 -5.209 -3.787 6.202 334 HZ2 TRP 41 2HZ TRP 41 -5.948 -6.076 10.563 335 HZ3 TRP 41 3HZ TRP 41 -6.131 -6.061 6.309 336 HH2 TRP 41 HH TRP 41 -6.492 -7.182 8.448 337 H HIS 42 H HIS 42 -4.888 1.461 6.711 338 HA HIS 42 HA HIS 42 -7.648 2.113 7.321 339 HB2 HIS 42 2HB HIS 42 -6.145 1.588 9.464 340 HB3 HIS 42 1HB HIS 42 -5.638 3.244 9.205 341 HD2 HIS 42 2HD HIS 42 -7.856 5.130 9.240 342 HE1 HIS 42 1HE HIS 42 -10.123 2.575 11.732 343 HE2 HIS 42 2HE HIS 42 -9.993 4.876 10.684 344 H VAL 43 H VAL 43 -8.137 4.012 6.416 345 HA VAL 43 HA VAL 43 -5.919 5.850 5.889 346 HB VAL 43 HB VAL 43 -6.372 4.801 3.796 347 HG11 VAL 43 1HG1 VAL 43 -8.517 3.894 4.076 348 HG12 VAL 43 2HG1 VAL 43 -8.616 5.034 2.734 349 HG13 VAL 43 3HG1 VAL 43 -9.230 5.487 4.325 350 HG21 VAL 43 3HG2 VAL 43 -5.923 7.208 3.753 351 HG22 VAL 43 1HG2 VAL 43 -7.663 7.514 3.803 352 HG23 VAL 43 2HG2 VAL 43 -6.960 6.691 2.413 353 H GLU 44 H GLU 44 -6.191 7.775 6.569 354 HA GLU 44 HA GLU 44 -8.382 8.535 8.159 355 HB2 GLU 44 2HB GLU 44 -5.940 9.917 7.110 356 HB3 GLU 44 1HB GLU 44 -7.133 10.765 8.067 357 HG2 GLU 44 2HG GLU 44 -6.751 9.422 9.951 358 HG3 GLU 44 1HG GLU 44 -5.860 8.229 9.010 359 H ASP 45 H ASP 45 -10.280 9.126 7.462 360 HA ASP 45 HA ASP 45 -10.688 10.204 4.812 361 HB2 ASP 45 2HB ASP 45 -13.093 10.110 5.445 362 HB3 ASP 45 1HB ASP 45 -12.271 8.568 5.652 363 H GLY 46 H GLY 46 -9.108 11.936 6.209 364 HA2 GLY 46 2HA GLY 46 -10.965 14.130 6.873 365 HA3 GLY 46 1HA GLY 46 -9.415 13.915 7.661 366 H GLY 47 H GLY 47 -8.810 13.164 4.507 367 HA2 GLY 47 2HA GLY 47 -8.934 15.457 3.045 368 HA3 GLY 47 1HA GLY 47 -7.569 15.729 4.105 369 HA PRO 48 HA PRO 48 -4.685 13.506 1.645 370 HB2 PRO 48 2HB PRO 48 -4.614 11.228 3.557 371 HB3 PRO 48 1HB PRO 48 -3.286 12.180 2.883 372 HG2 PRO 48 2HG PRO 48 -4.033 12.627 5.351 373 HG3 PRO 48 1HG PRO 48 -3.772 14.021 4.275 374 HD2 PRO 48 2HD PRO 48 -6.354 12.706 5.066 375 HD3 PRO 48 1HD PRO 48 -5.929 14.428 5.028 376 H ALA 49 H ALA 49 -4.408 10.441 2.052 377 HA ALA 49 HA ALA 49 -5.140 9.562 -0.385 378 HB1 ALA 49 1HB ALA 49 -4.188 7.687 0.296 379 HB2 ALA 49 2HB ALA 49 -5.444 7.393 1.502 380 HB3 ALA 49 3HB ALA 49 -4.057 8.408 1.907 381 H SER 50 H SER 50 -7.318 9.522 2.436 382 HA SER 50 HA SER 50 -9.295 7.895 1.305 383 HB2 SER 50 2HB SER 50 -9.102 9.756 3.558 384 HB3 SER 50 1HB SER 50 -10.726 9.558 2.910 385 HG SER 50 HG SER 50 -9.810 8.012 4.616 386 H GLU 51 H GLU 51 -9.304 11.457 1.534 387 HA GLU 51 HA GLU 51 -11.611 11.803 -0.055 388 HB2 GLU 51 2HB GLU 51 -9.393 13.795 0.377 389 HB3 GLU 51 1HB GLU 51 -11.062 14.147 -0.059 390 HG2 GLU 51 2HG GLU 51 -11.396 12.735 2.219 391 HG3 GLU 51 1HG GLU 51 -9.871 13.551 2.546 392 H ALA 52 H ALA 52 -8.265 11.437 -0.761 393 HA ALA 52 HA ALA 52 -8.200 12.435 -3.385 394 HB1 ALA 52 1HB ALA 52 -6.242 11.778 -1.911 395 HB2 ALA 52 2HB ALA 52 -6.132 11.316 -3.613 396 HB3 ALA 52 3HB ALA 52 -6.566 10.114 -2.395 397 H GLY 53 H GLY 53 -9.334 9.435 -2.014 398 HA2 GLY 53 2HA GLY 53 -11.157 8.524 -3.561 399 HA3 GLY 53 1HA GLY 53 -9.835 8.380 -4.705 400 H LEU 54 H LEU 54 -8.282 7.755 -1.973 401 HA LEU 54 HA LEU 54 -8.216 4.959 -2.453 402 HB2 LEU 54 2HB LEU 54 -6.465 6.620 -1.327 403 HB3 LEU 54 1HB LEU 54 -7.205 6.002 0.131 404 HG LEU 54 HG LEU 54 -5.829 4.381 -2.010 405 HD11 LEU 54 1HD1 LEU 54 -4.237 5.557 -0.655 406 HD12 LEU 54 2HD1 LEU 54 -4.252 3.861 -0.170 407 HD13 LEU 54 3HD1 LEU 54 -5.070 5.069 0.820 408 HD21 LEU 54 3HD2 LEU 54 -6.987 3.435 0.584 409 HD22 LEU 54 1HD2 LEU 54 -6.201 2.462 -0.658 410 HD23 LEU 54 2HD2 LEU 54 -7.751 3.233 -0.990 411 H ARG 55 H ARG 55 -9.600 3.525 -1.863 412 HA ARG 55 HA ARG 55 -11.418 4.061 0.354 413 HB2 ARG 55 2HB ARG 55 -12.658 2.076 -0.444 414 HB3 ARG 55 1HB ARG 55 -12.477 3.298 -1.689 415 HG2 ARG 55 2HG ARG 55 -11.832 1.622 -3.003 416 HG3 ARG 55 1HG ARG 55 -10.303 1.686 -2.124 417 HD2 ARG 55 2HD ARG 55 -11.046 -0.583 -2.131 418 HD3 ARG 55 1HD ARG 55 -11.263 0.045 -0.500 419 HE ARG 55 HE ARG 55 -13.641 0.367 -1.992 420 HH11 ARG 55 1HH1 ARG 55 -11.721 -2.105 -0.413 421 HH12 ARG 55 2HH1 ARG 55 -13.086 -3.136 -0.112 422 HH21 ARG 55 1HH2 ARG 55 -15.429 -0.999 -1.598 423 HH22 ARG 55 2HH2 ARG 55 -15.187 -2.508 -0.777 424 H GLN 56 H GLN 56 -10.932 3.317 2.336 425 HA GLN 56 HA GLN 56 -8.790 1.756 3.023 426 HB2 GLN 56 2HB GLN 56 -10.272 2.996 4.592 427 HB3 GLN 56 1HB GLN 56 -11.434 1.704 4.458 428 HG2 GLN 56 2HG GLN 56 -10.072 0.245 5.550 429 HG3 GLN 56 1HG GLN 56 -8.625 1.191 5.290 430 HE21 GLN 56 1HE2 GLN 56 -9.847 0.110 7.749 431 HE22 GLN 56 2HE2 GLN 56 -10.050 1.469 8.797 432 H GLY 57 H GLY 57 -8.305 -0.363 3.083 433 HA2 GLY 57 2HA GLY 57 -8.671 -2.671 2.997 434 HA3 GLY 57 1HA GLY 57 -10.375 -2.366 2.680 435 H ASP 58 H ASP 58 -7.271 -1.636 1.128 436 HA ASP 58 HA ASP 58 -8.169 -2.933 -1.334 437 HB2 ASP 58 2HB ASP 58 -8.503 -0.271 -1.212 438 HB3 ASP 58 1HB ASP 58 -6.810 -0.320 -1.701 439 H LEU 59 H LEU 59 -6.494 -3.635 -2.642 440 HA LEU 59 HA LEU 59 -3.970 -3.926 -1.211 441 HB2 LEU 59 2HB LEU 59 -4.792 -6.011 -1.931 442 HB3 LEU 59 1HB LEU 59 -5.235 -5.388 -3.506 443 HG LEU 59 HG LEU 59 -2.679 -5.062 -3.844 444 HD11 LEU 59 1HD1 LEU 59 -1.996 -5.466 -1.559 445 HD12 LEU 59 2HD1 LEU 59 -1.317 -6.697 -2.626 446 HD13 LEU 59 3HD1 LEU 59 -2.706 -7.081 -1.608 447 HD21 LEU 59 3HD2 LEU 59 -3.960 -7.789 -3.790 448 HD22 LEU 59 1HD2 LEU 59 -2.466 -7.388 -4.637 449 HD23 LEU 59 2HD2 LEU 59 -3.985 -6.636 -5.124 450 H ILE 60 H ILE 60 -2.141 -2.991 -1.822 451 HA ILE 60 HA ILE 60 -2.241 -1.149 -4.070 452 HB ILE 60 HB ILE 60 -0.165 -1.547 -1.904 453 HG12 ILE 60 2HG1 ILE 60 -0.874 0.895 -1.451 454 HG13 ILE 60 1HG1 ILE 60 -2.281 0.529 -2.438 455 HG21 ILE 60 1HG2 ILE 60 0.944 0.444 -2.812 456 HG22 ILE 60 2HG2 ILE 60 -0.194 0.457 -4.161 457 HG23 ILE 60 3HG2 ILE 60 0.934 -0.885 -3.969 458 HD11 ILE 60 3HD1 ILE 60 -2.703 0.332 -0.032 459 HD12 ILE 60 1HD1 ILE 60 -1.493 -0.948 0.058 460 HD13 ILE 60 2HD1 ILE 60 -2.961 -1.188 -0.892 461 H THR 61 H THR 61 -1.411 -1.608 -5.974 462 HA THR 61 HA THR 61 0.215 -4.032 -6.235 463 HB THR 61 HB THR 61 -0.479 -4.112 -8.533 464 HG1 THR 61 1HG THR 61 -0.513 -2.035 -9.245 465 HG21 THR 61 3HG2 THR 61 -2.829 -3.285 -6.817 466 HG22 THR 61 1HG2 THR 61 -2.125 -4.904 -6.886 467 HG23 THR 61 2HG2 THR 61 -2.915 -4.224 -8.311 468 H HIS 62 H HIS 62 0.120 -0.618 -7.077 469 HA HIS 62 HA HIS 62 3.020 -0.658 -7.507 470 HB2 HIS 62 2HB HIS 62 1.004 0.613 -9.372 471 HB3 HIS 62 1HB HIS 62 2.736 0.870 -9.453 472 HD2 HIS 62 2HD HIS 62 4.220 -1.247 -10.505 473 HE1 HIS 62 1HE HIS 62 0.834 -3.467 -11.731 474 HE2 HIS 62 2HE HIS 62 3.327 -3.137 -12.044 475 H VAL 63 H VAL 63 4.003 1.445 -7.291 476 HA VAL 63 HA VAL 63 2.313 3.538 -6.172 477 HB VAL 63 HB VAL 63 3.114 2.324 -4.225 478 HG11 VAL 63 1HG1 VAL 63 5.143 1.340 -5.179 479 HG12 VAL 63 2HG1 VAL 63 5.464 2.152 -3.648 480 HG13 VAL 63 3HG1 VAL 63 5.910 2.927 -5.169 481 HG21 VAL 63 3HG2 VAL 63 2.861 4.507 -3.610 482 HG22 VAL 63 1HG2 VAL 63 4.063 5.088 -4.764 483 HG23 VAL 63 2HG2 VAL 63 4.580 4.306 -3.270 484 H ASN 64 H ASN 64 2.634 5.158 -7.490 485 HA ASN 64 HA ASN 64 3.633 6.765 -8.756 486 HB2 ASN 64 2HB ASN 64 5.043 6.662 -6.446 487 HB3 ASN 64 1HB ASN 64 6.320 6.341 -7.614 488 HD21 ASN 64 1HD2 ASN 64 7.304 8.300 -7.133 489 HD22 ASN 64 2HD2 ASN 64 6.665 9.813 -7.664 490 H GLY 65 H GLY 65 3.596 4.061 -9.745 491 HA2 GLY 65 2HA GLY 65 4.322 3.052 -11.694 492 HA3 GLY 65 1HA GLY 65 5.453 4.374 -11.900 493 H GLU 66 H GLU 66 5.164 2.194 -9.191 494 HA GLU 66 HA GLU 66 7.563 0.763 -9.876 495 HB2 GLU 66 2HB GLU 66 7.963 2.948 -8.553 496 HB3 GLU 66 1HB GLU 66 7.292 2.070 -7.195 497 HG2 GLU 66 2HG GLU 66 9.802 2.092 -7.355 498 HG3 GLU 66 1HG GLU 66 9.044 0.514 -7.173 499 HA PRO 67 HA PRO 67 4.510 -2.239 -8.338 500 HB2 PRO 67 2HB PRO 67 6.475 -4.261 -8.525 501 HB3 PRO 67 1HB PRO 67 5.214 -3.901 -9.704 502 HG2 PRO 67 2HG PRO 67 8.068 -3.122 -9.691 503 HG3 PRO 67 1HG PRO 67 6.980 -3.400 -11.063 504 HD2 PRO 67 2HD PRO 67 7.730 -0.932 -10.287 505 HD3 PRO 67 1HD PRO 67 6.144 -1.245 -10.991 506 H VAL 68 H VAL 68 4.150 -2.678 -6.347 507 HA VAL 68 HA VAL 68 6.194 -2.234 -4.339 508 HB VAL 68 HB VAL 68 4.433 -2.335 -2.685 509 HG11 VAL 68 1HG1 VAL 68 3.662 -0.713 -5.107 510 HG12 VAL 68 2HG1 VAL 68 4.691 -0.208 -3.768 511 HG13 VAL 68 3HG1 VAL 68 2.975 -0.498 -3.498 512 HG21 VAL 68 3HG2 VAL 68 3.129 -4.153 -3.648 513 HG22 VAL 68 1HG2 VAL 68 2.596 -3.089 -4.950 514 HG23 VAL 68 2HG2 VAL 68 2.106 -2.762 -3.287 515 H HIS 69 H HIS 69 4.876 -4.624 -6.073 516 HA HIS 69 HA HIS 69 4.723 -6.857 -4.492 517 HB2 HIS 69 2HB HIS 69 5.295 -6.272 -7.375 518 HB3 HIS 69 1HB HIS 69 5.275 -7.898 -6.779 519 HD2 HIS 69 2HD HIS 69 2.638 -5.389 -5.476 520 HE1 HIS 69 1HE HIS 69 0.740 -8.132 -8.088 521 HE2 HIS 69 2HE HIS 69 0.384 -6.401 -6.269 522 H GLY 70 H GLY 70 6.410 -7.113 -3.038 523 HA2 GLY 70 2HA GLY 70 8.424 -8.485 -2.836 524 HA3 GLY 70 1HA GLY 70 9.042 -7.673 -4.266 525 H LEU 71 H LEU 71 7.701 -5.178 -2.877 526 HA LEU 71 HA LEU 71 10.161 -4.213 -1.740 527 HB2 LEU 71 2HB LEU 71 7.399 -3.013 -1.947 528 HB3 LEU 71 1HB LEU 71 8.737 -2.189 -1.181 529 HG LEU 71 HG LEU 71 8.414 -2.873 -4.092 530 HD11 LEU 71 1HD1 LEU 71 8.783 -0.414 -4.303 531 HD12 LEU 71 2HD1 LEU 71 8.724 -0.304 -2.542 532 HD13 LEU 71 3HD1 LEU 71 7.311 -0.852 -3.439 533 HD21 LEU 71 3HD2 LEU 71 10.692 -3.397 -3.586 534 HD22 LEU 71 1HD2 LEU 71 10.875 -1.921 -2.639 535 HD23 LEU 71 2HD2 LEU 71 10.657 -1.828 -4.387 536 H VAL 72 H VAL 72 10.612 -3.846 0.420 537 HA VAL 72 HA VAL 72 9.105 -5.398 2.304 538 HB VAL 72 HB VAL 72 11.700 -4.693 2.206 539 HG11 VAL 72 1HG1 VAL 72 10.708 -2.901 4.397 540 HG12 VAL 72 2HG1 VAL 72 11.011 -2.303 2.767 541 HG13 VAL 72 3HG1 VAL 72 12.326 -3.014 3.701 542 HG21 VAL 72 3HG2 VAL 72 11.888 -5.459 4.530 543 HG22 VAL 72 1HG2 VAL 72 10.796 -6.463 3.576 544 HG23 VAL 72 2HG2 VAL 72 10.145 -5.284 4.713 545 H HIS 73 H HIS 73 8.368 -4.389 4.411 546 HA HIS 73 HA HIS 73 6.235 -2.744 4.177 547 HB2 HIS 73 2HB HIS 73 6.867 -3.942 6.247 548 HB3 HIS 73 1HB HIS 73 8.138 -2.774 6.525 549 HD1 HIS 73 1HD HIS 73 4.338 -2.881 6.303 550 HD2 HIS 73 2HD HIS 73 7.401 -0.568 7.877 551 HE1 HIS 73 1HE HIS 73 3.233 -1.128 7.739 552 H THR 74 H THR 74 9.425 -1.653 5.161 553 HA THR 74 HA THR 74 8.664 1.083 5.251 554 HB THR 74 HB THR 74 10.885 1.473 5.994 555 HG1 THR 74 1HG THR 74 12.447 0.445 4.996 556 HG21 THR 74 3HG2 THR 74 9.682 0.369 7.692 557 HG22 THR 74 1HG2 THR 74 11.201 -0.522 7.597 558 HG23 THR 74 2HG2 THR 74 9.739 -1.185 6.849 559 H GLU 75 H GLU 75 9.717 -0.945 2.695 560 HA GLU 75 HA GLU 75 11.078 1.040 1.188 561 HB2 GLU 75 2HB GLU 75 10.044 -1.693 0.628 562 HB3 GLU 75 1HB GLU 75 10.440 -0.644 -0.722 563 HG2 GLU 75 2HG GLU 75 12.696 -0.320 0.254 564 HG3 GLU 75 1HG GLU 75 12.284 -1.516 1.480 565 H VAL 76 H VAL 76 7.717 -0.156 1.197 566 HA VAL 76 HA VAL 76 6.916 1.443 -1.000 567 HB VAL 76 HB VAL 76 4.589 1.163 -0.141 568 HG11 VAL 76 1HG1 VAL 76 6.189 -1.370 -0.308 569 HG12 VAL 76 2HG1 VAL 76 5.659 -0.403 -1.685 570 HG13 VAL 76 3HG1 VAL 76 4.469 -1.184 -0.646 571 HG21 VAL 76 3HG2 VAL 76 5.999 0.197 2.238 572 HG22 VAL 76 1HG2 VAL 76 4.676 -0.835 1.695 573 HG23 VAL 76 2HG2 VAL 76 4.365 0.865 2.080 574 H VAL 77 H VAL 77 6.708 1.890 2.481 575 HA VAL 77 HA VAL 77 5.636 4.402 2.682 576 HB VAL 77 HB VAL 77 7.899 3.305 4.331 577 HG11 VAL 77 1HG1 VAL 77 7.048 4.732 6.124 578 HG12 VAL 77 2HG1 VAL 77 5.842 5.384 5.015 579 HG13 VAL 77 3HG1 VAL 77 7.555 5.673 4.720 580 HG21 VAL 77 3HG2 VAL 77 6.182 1.672 4.375 581 HG22 VAL 77 1HG2 VAL 77 4.930 2.899 4.581 582 HG23 VAL 77 2HG2 VAL 77 6.067 2.566 5.890 583 H GLU 78 H GLU 78 9.055 3.521 2.283 584 HA GLU 78 HA GLU 78 10.046 6.142 2.158 585 HB2 GLU 78 2HB GLU 78 11.085 3.493 1.246 586 HB3 GLU 78 1HB GLU 78 11.945 4.975 0.842 587 HG2 GLU 78 2HG GLU 78 11.693 5.469 3.380 588 HG3 GLU 78 1HG GLU 78 11.474 3.728 3.487 589 H LEU 79 H LEU 79 9.059 3.886 -0.383 590 HA LEU 79 HA LEU 79 9.682 5.369 -2.636 591 HB2 LEU 79 2HB LEU 79 8.236 3.051 -2.079 592 HB3 LEU 79 1HB LEU 79 7.071 4.100 -2.866 593 HG LEU 79 HG LEU 79 8.098 2.671 -4.508 594 HD11 LEU 79 1HD1 LEU 79 7.565 4.977 -5.164 595 HD12 LEU 79 2HD1 LEU 79 8.920 4.313 -6.075 596 HD13 LEU 79 3HD1 LEU 79 9.214 5.457 -4.764 597 HD21 LEU 79 3HD2 LEU 79 10.740 3.821 -3.621 598 HD22 LEU 79 1HD2 LEU 79 10.484 2.671 -4.935 599 HD23 LEU 79 2HD2 LEU 79 10.161 2.193 -3.268 600 H ILE 80 H ILE 80 6.843 5.538 -0.551 601 HA ILE 80 HA ILE 80 5.443 7.467 -2.059 602 HB ILE 80 HB ILE 80 5.260 6.523 0.792 603 HG12 ILE 80 2HG1 ILE 80 3.123 6.330 -1.289 604 HG13 ILE 80 1HG1 ILE 80 4.509 5.252 -1.384 605 HG21 ILE 80 1HG2 ILE 80 3.822 8.764 -0.542 606 HG22 ILE 80 2HG2 ILE 80 4.479 8.665 1.089 607 HG23 ILE 80 3HG2 ILE 80 3.005 7.789 0.677 608 HD11 ILE 80 3HD1 ILE 80 2.720 4.156 -0.231 609 HD12 ILE 80 1HD1 ILE 80 2.572 5.504 0.896 610 HD13 ILE 80 2HD1 ILE 80 4.019 4.495 0.914 611 H LEU 81 H LEU 81 7.500 7.727 0.839 612 HA LEU 81 HA LEU 81 7.361 10.518 1.128 613 HB2 LEU 81 2HB LEU 81 9.677 8.711 1.843 614 HB3 LEU 81 1HB LEU 81 9.381 10.318 2.481 615 HG LEU 81 HG LEU 81 7.512 7.989 2.907 616 HD11 LEU 81 1HD1 LEU 81 8.447 7.890 5.176 617 HD12 LEU 81 2HD1 LEU 81 9.666 9.077 4.714 618 HD13 LEU 81 3HD1 LEU 81 9.645 7.491 3.945 619 HD21 LEU 81 3HD2 LEU 81 7.723 10.699 4.205 620 HD22 LEU 81 1HD2 LEU 81 6.617 9.414 4.692 621 HD23 LEU 81 2HD2 LEU 81 6.457 10.162 3.103 622 H LYS 82 H LYS 82 9.495 8.466 -0.740 623 HA LYS 82 HA LYS 82 11.385 10.305 -1.613 624 HB2 LYS 82 2HB LYS 82 11.266 7.753 -1.818 625 HB3 LYS 82 1HB LYS 82 10.399 8.094 -3.286 626 HG2 LYS 82 2HG LYS 82 12.453 9.614 -3.818 627 HG3 LYS 82 1HG LYS 82 13.252 8.551 -2.661 628 HD2 LYS 82 2HD LYS 82 11.726 7.603 -5.077 629 HD3 LYS 82 1HD LYS 82 13.476 7.805 -5.022 630 HE2 LYS 82 2HE LYS 82 13.523 6.199 -3.110 631 HE3 LYS 82 1HE LYS 82 11.806 5.915 -3.376 632 HZ1 LYS 82 3HZ LYS 82 13.123 4.226 -4.461 633 HZ2 LYS 82 1HZ LYS 82 13.977 5.399 -5.330 634 HZ3 LYS 82 2HZ LYS 82 12.329 5.161 -5.627 635 H SER 83 H SER 83 8.290 9.401 -3.008 636 HA SER 83 HA SER 83 8.420 10.698 -5.433 637 HB2 SER 83 2HB SER 83 6.591 9.209 -4.853 638 HB3 SER 83 1HB SER 83 6.036 10.329 -3.610 639 HG SER 83 HG SER 83 4.984 11.361 -5.079 640 H GLY 84 H GLY 84 7.844 12.091 -2.252 641 HA2 GLY 84 2HA GLY 84 8.673 14.479 -2.238 642 HA3 GLY 84 1HA GLY 84 7.541 14.718 -3.556 643 H ASN 85 H ASN 85 5.892 15.876 -2.863 644 HA ASN 85 HA ASN 85 4.937 15.491 -0.116 645 HB2 ASN 85 2HB ASN 85 3.687 17.593 -0.473 646 HB3 ASN 85 1HB ASN 85 5.420 17.790 -0.699 647 HD21 ASN 85 1HD2 ASN 85 6.214 18.294 -2.699 648 HD22 ASN 85 2HD2 ASN 85 5.203 18.762 -4.020 649 H LYS 86 H LYS 86 4.413 14.027 -2.815 650 HA LYS 86 HA LYS 86 1.767 13.210 -2.139 651 HB2 LYS 86 2HB LYS 86 0.887 13.642 -4.422 652 HB3 LYS 86 1HB LYS 86 1.051 15.051 -3.423 653 HG2 LYS 86 2HG LYS 86 2.918 15.818 -4.652 654 HG3 LYS 86 1HG LYS 86 3.103 14.261 -5.465 655 HD2 LYS 86 2HD LYS 86 0.909 14.593 -6.541 656 HD3 LYS 86 1HD LYS 86 0.794 16.178 -5.779 657 HE2 LYS 86 2HE LYS 86 1.537 16.358 -8.087 658 HE3 LYS 86 1HE LYS 86 2.790 16.904 -6.973 659 HZ1 LYS 86 3HZ LYS 86 4.075 15.040 -7.383 660 HZ2 LYS 86 1HZ LYS 86 3.435 15.375 -8.910 661 HZ3 LYS 86 2HZ LYS 86 2.777 14.132 -7.973 662 H VAL 87 H VAL 87 0.989 11.609 -3.879 663 HA VAL 87 HA VAL 87 3.016 10.276 -5.408 664 HB VAL 87 HB VAL 87 3.716 9.701 -3.087 665 HG11 VAL 87 1HG1 VAL 87 1.136 8.145 -3.029 666 HG12 VAL 87 2HG1 VAL 87 1.501 9.579 -2.069 667 HG13 VAL 87 3HG1 VAL 87 2.406 8.087 -1.810 668 HG21 VAL 87 3HG2 VAL 87 2.889 7.485 -4.945 669 HG22 VAL 87 1HG2 VAL 87 3.875 7.220 -3.506 670 HG23 VAL 87 2HG2 VAL 87 4.470 8.259 -4.801 671 H ALA 88 H ALA 88 2.285 8.552 -6.622 672 HA ALA 88 HA ALA 88 -0.617 8.318 -6.901 673 HB1 ALA 88 1HB ALA 88 0.575 8.807 -8.922 674 HB2 ALA 88 2HB ALA 88 -0.052 7.160 -9.027 675 HB3 ALA 88 3HB ALA 88 1.652 7.436 -8.668 676 H ILE 89 H ILE 89 -1.311 6.883 -5.346 677 HA ILE 89 HA ILE 89 0.083 4.337 -5.070 678 HB ILE 89 HB ILE 89 -0.579 5.293 -2.990 679 HG12 ILE 89 2HG1 ILE 89 -2.611 3.128 -3.500 680 HG13 ILE 89 1HG1 ILE 89 -0.886 2.802 -3.376 681 HG21 ILE 89 1HG2 ILE 89 -2.338 6.775 -3.676 682 HG22 ILE 89 2HG2 ILE 89 -2.948 5.708 -2.411 683 HG23 ILE 89 3HG2 ILE 89 -3.374 5.412 -4.095 684 HD11 ILE 89 3HD1 ILE 89 -2.257 2.467 -1.285 685 HD12 ILE 89 1HD1 ILE 89 -2.419 4.221 -1.226 686 HD13 ILE 89 2HD1 ILE 89 -0.822 3.480 -1.123 687 H SER 90 H SER 90 -0.369 2.733 -6.445 688 HA SER 90 HA SER 90 -2.922 2.716 -7.844 689 HB2 SER 90 2HB SER 90 -0.482 2.239 -8.768 690 HB3 SER 90 1HB SER 90 -0.868 0.598 -8.254 691 HG SER 90 HG SER 90 -2.715 2.046 -9.804 692 H THR 91 H THR 91 -4.550 1.902 -6.682 693 HA THR 91 HA THR 91 -4.131 -0.570 -5.160 694 HB THR 91 HB THR 91 -6.378 -0.049 -4.182 695 HG1 THR 91 1HG THR 91 -7.509 1.368 -5.254 696 HG21 THR 91 3HG2 THR 91 -4.424 2.239 -3.921 697 HG22 THR 91 1HG2 THR 91 -4.254 0.680 -3.105 698 HG23 THR 91 2HG2 THR 91 -5.627 1.724 -2.737 699 H THR 92 H THR 92 -6.012 -2.168 -5.279 700 HA THR 92 HA THR 92 -6.655 -2.445 -8.138 701 HB THR 92 HB THR 92 -5.490 -4.359 -7.457 702 HG1 THR 92 1HG THR 92 -8.239 -5.072 -7.204 703 HG21 THR 92 3HG2 THR 92 -7.319 -4.564 -5.070 704 HG22 THR 92 1HG2 THR 92 -5.635 -4.042 -5.039 705 HG23 THR 92 2HG2 THR 92 -6.038 -5.699 -5.490 706 HA PRO 93 HA PRO 93 -10.828 -1.100 -6.950 707 HB2 PRO 93 2HB PRO 93 -11.177 -1.857 -9.812 708 HB3 PRO 93 1HB PRO 93 -11.736 -0.415 -8.955 709 HG2 PRO 93 2HG PRO 93 -9.630 -0.306 -10.580 710 HG3 PRO 93 1HG PRO 93 -9.646 0.597 -9.061 711 HD2 PRO 93 2HD PRO 93 -8.192 -1.874 -9.763 712 HD3 PRO 93 1HD PRO 93 -7.713 -0.559 -8.686 713 H LEU 94 H LEU 94 -13.006 -2.079 -7.465 714 HA LEU 94 HA LEU 94 -13.105 -4.715 -6.502 715 HB2 LEU 94 2HB LEU 94 -15.517 -3.918 -7.873 716 HB3 LEU 94 1HB LEU 94 -15.263 -4.228 -6.184 717 HG LEU 94 HG LEU 94 -14.164 -1.813 -6.269 718 HD11 LEU 94 1HD1 LEU 94 -14.370 -1.198 -8.459 719 HD12 LEU 94 2HD1 LEU 94 -15.879 -0.554 -7.800 720 HD13 LEU 94 3HD1 LEU 94 -15.877 -2.092 -8.661 721 HD21 LEU 94 3HD2 LEU 94 -15.958 -2.402 -4.777 722 HD22 LEU 94 1HD2 LEU 94 -17.107 -2.449 -6.116 723 HD23 LEU 94 2HD2 LEU 94 -16.391 -0.915 -5.622 724 H GLU 95 H GLU 95 -14.349 -6.474 -7.588 725 HA GLU 95 HA GLU 95 -14.378 -6.577 -10.444 726 HB2 GLU 95 2HB GLU 95 -12.725 -8.301 -10.776 727 HB3 GLU 95 1HB GLU 95 -11.954 -6.956 -9.950 728 HG2 GLU 95 2HG GLU 95 -13.017 -9.308 -8.432 729 HG3 GLU 95 1HG GLU 95 -11.420 -9.339 -9.173 730 H ASN 96 H ASN 96 -14.869 -8.956 -11.111 731 HA ASN 96 HA ASN 96 -17.117 -9.778 -9.521 732 HB2 ASN 96 2HB ASN 96 -17.389 -11.532 -11.317 733 HB3 ASN 96 1HB ASN 96 -17.438 -9.867 -11.886 734 HD21 ASN 96 1HD2 ASN 96 -15.760 -9.080 -13.147 735 HD22 ASN 96 2HD2 ASN 96 -14.593 -10.122 -13.889 736 H1 SER 101 1HT SER 101 -1.787 -18.594 4.690 737 H2 SER 101 2HT SER 101 -1.800 -19.337 3.168 738 H3 SER 101 3HT SER 101 -2.968 -18.179 3.550 739 HA SER 101 HA SER 101 -0.135 -17.827 2.907 740 HB2 SER 101 2HB SER 101 -2.446 -16.072 2.116 741 HB3 SER 101 1HB SER 101 -0.921 -16.344 1.273 742 HG SER 101 HG SER 101 -3.095 -17.470 0.649 743 H TRP 102 H TRP 102 -2.858 -16.103 4.456 744 HA TRP 102 HA TRP 102 -0.858 -14.463 5.860 745 HB2 TRP 102 2HB TRP 102 -2.236 -13.149 4.276 746 HB3 TRP 102 1HB TRP 102 -3.688 -13.681 5.118 747 HD1 TRP 102 HD TRP 102 -0.793 -12.823 7.368 748 HE1 TRP 102 1HE TRP 102 -1.257 -10.597 8.569 749 HE3 TRP 102 3HE TRP 102 -4.885 -11.288 4.696 750 HZ2 TRP 102 2HZ TRP 102 -3.086 -8.474 8.397 751 HZ3 TRP 102 3HZ TRP 102 -5.920 -9.131 5.292 752 HH2 TRP 102 HH TRP 102 -5.038 -7.762 7.098 753 H GLU 103 H GLU 103 -0.684 -15.880 7.580 754 HA GLU 103 HA GLU 103 -3.078 -16.493 9.124 755 HB2 GLU 103 2HB GLU 103 -0.209 -17.401 9.363 756 HB3 GLU 103 1HB GLU 103 -1.447 -17.825 10.535 757 HG2 GLU 103 2HG GLU 103 -1.189 -19.654 9.036 758 HG3 GLU 103 1HG GLU 103 -2.739 -18.889 8.693 759 H SER 104 H SER 104 -0.098 -14.664 9.327 760 HA SER 104 HA SER 104 -1.202 -13.023 11.432 761 HB2 SER 104 2HB SER 104 1.399 -14.512 11.860 762 HB3 SER 104 1HB SER 104 0.683 -13.337 12.963 763 HG SER 104 HG SER 104 -1.170 -15.143 12.458 764 H HIS 105 H HIS 105 0.984 -11.568 12.138 765 HA HIS 105 HA HIS 105 1.461 -9.988 9.821 766 HB2 HIS 105 2HB HIS 105 2.932 -9.823 12.457 767 HB3 HIS 105 1HB HIS 105 2.745 -8.546 11.262 768 HD2 HIS 105 2HD HIS 105 0.764 -6.835 11.832 769 HE1 HIS 105 1HE HIS 105 -1.404 -9.357 14.446 770 HE2 HIS 105 2HE HIS 105 -1.136 -6.987 13.596 771 H LYS 106 H LYS 106 2.346 -11.889 8.615 772 HA LYS 106 HA LYS 106 5.055 -12.693 9.204 773 HB2 LYS 106 2HB LYS 106 3.285 -13.228 6.806 774 HB3 LYS 106 1HB LYS 106 4.868 -13.947 7.063 775 HG2 LYS 106 2HG LYS 106 4.075 -15.104 9.021 776 HG3 LYS 106 1HG LYS 106 2.508 -14.303 8.896 777 HD2 LYS 106 2HD LYS 106 1.824 -15.605 7.161 778 HD3 LYS 106 1HD LYS 106 3.456 -15.787 6.514 779 HE2 LYS 106 2HE LYS 106 3.997 -17.334 8.339 780 HE3 LYS 106 1HE LYS 106 2.359 -17.160 8.962 781 HZ1 LYS 106 3HZ LYS 106 1.476 -18.188 7.021 782 HZ2 LYS 106 1HZ LYS 106 2.717 -19.181 7.606 783 HZ3 LYS 106 2HZ LYS 106 2.990 -18.199 6.258 784 H SER 107 H SER 107 5.483 -10.203 9.156 785 HA SER 107 HA SER 107 6.901 -9.676 6.697 786 HB2 SER 107 2HB SER 107 5.750 -7.331 6.631 787 HB3 SER 107 1HB SER 107 4.911 -8.714 5.926 788 HG SER 107 HG SER 107 3.445 -7.699 7.239 789 H GLY 108 H GLY 108 5.628 -7.638 9.315 790 HA2 GLY 108 2HA GLY 108 7.009 -7.106 11.254 791 HA3 GLY 108 1HA GLY 108 8.408 -7.182 10.193 792 H GLY 109 H GLY 109 6.263 -5.152 11.710 793 HA2 GLY 109 2HA GLY 109 6.983 -2.778 11.587 794 HA3 GLY 109 1HA GLY 109 6.922 -2.963 9.842 795 H GLU 110 H GLU 110 5.464 -1.318 12.009 796 HA GLU 110 HA GLU 110 2.762 -1.741 10.899 797 HB2 GLU 110 2HB GLU 110 3.578 -1.020 13.713 798 HB3 GLU 110 1HB GLU 110 1.964 -0.706 13.098 799 HG2 GLU 110 2HG GLU 110 1.764 -3.143 12.600 800 HG3 GLU 110 1HG GLU 110 3.295 -3.378 13.443 801 H THR 111 H THR 111 5.166 0.042 10.294 802 HA THR 111 HA THR 111 4.618 2.707 10.952 803 HB THR 111 HB THR 111 5.828 1.975 8.305 804 HG1 THR 111 1HG THR 111 7.101 0.650 9.373 805 HG21 THR 111 3HG2 THR 111 5.596 4.357 9.090 806 HG22 THR 111 1HG2 THR 111 7.245 3.858 8.710 807 HG23 THR 111 2HG2 THR 111 6.720 3.965 10.390 808 H ARG 112 H ARG 112 3.609 4.366 9.748 809 HA ARG 112 HA ARG 112 1.842 3.480 7.586 810 HB2 ARG 112 2HB ARG 112 0.052 4.961 8.621 811 HB3 ARG 112 1HB ARG 112 0.383 3.441 9.442 812 HG2 ARG 112 2HG ARG 112 0.646 4.594 11.317 813 HG3 ARG 112 1HG ARG 112 2.104 5.293 10.617 814 HD2 ARG 112 2HD ARG 112 0.857 7.155 11.224 815 HD3 ARG 112 1HD ARG 112 0.510 6.972 9.505 816 HE ARG 112 HE ARG 112 -1.318 5.817 11.487 817 HH11 ARG 112 1HH1 ARG 112 -0.690 8.060 8.851 818 HH12 ARG 112 2HH1 ARG 112 -2.360 8.580 8.758 819 HH21 ARG 112 1HH2 ARG 112 -3.494 6.486 11.315 820 HH22 ARG 112 2HH2 ARG 112 -3.927 7.685 10.136 821 H LEU 113 H LEU 113 0.769 5.445 6.553 822 HA LEU 113 HA LEU 113 2.836 7.491 6.157 823 HB2 LEU 113 2HB LEU 113 0.608 6.461 4.406 824 HB3 LEU 113 1HB LEU 113 1.453 7.946 4.046 825 HG LEU 113 HG LEU 113 2.433 6.298 2.676 826 HD11 LEU 113 1HD1 LEU 113 4.060 7.754 3.738 827 HD12 LEU 113 2HD1 LEU 113 4.726 6.148 3.445 828 HD13 LEU 113 3HD1 LEU 113 4.225 6.611 5.069 829 HD21 LEU 113 3HD2 LEU 113 2.756 4.548 5.104 830 HD22 LEU 113 1HD2 LEU 113 3.222 4.153 3.448 831 HD23 LEU 113 2HD2 LEU 113 1.518 4.354 3.863 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -10.809 -11.243 -13.188 2 H2 GLY 1 2HT GLY 1 -9.856 -12.028 -12.037 3 H3 GLY 1 3HT GLY 1 -9.181 -11.576 -13.518 4 HA2 GLY 1 1HA GLY 1 -10.142 -9.759 -11.389 5 HA3 GLY 1 2HA GLY 1 -8.466 -10.049 -11.821 6 H GLY 2 H GLY 2 -8.335 -7.734 -12.128 7 HA2 GLY 2 2HA GLY 2 -9.504 -6.883 -14.704 8 HA3 GLY 2 1HA GLY 2 -9.267 -5.792 -13.345 9 H SER 3 H SER 3 -8.051 -4.452 -14.769 10 HA SER 3 HA SER 3 -5.239 -5.059 -14.703 11 HB2 SER 3 2HB SER 3 -6.114 -6.137 -16.844 12 HB3 SER 3 1HB SER 3 -6.475 -4.507 -17.409 13 HG SER 3 HG SER 3 -3.954 -5.644 -16.796 14 H MET 4 H MET 4 -3.962 -3.158 -15.454 15 HA MET 4 HA MET 4 -3.445 -0.963 -15.251 16 HB2 MET 4 2HB MET 4 -5.993 -0.958 -16.784 17 HB3 MET 4 1HB MET 4 -5.412 0.582 -16.169 18 HG2 MET 4 2HG MET 4 -3.328 0.317 -17.350 19 HG3 MET 4 1HG MET 4 -3.808 -1.288 -17.894 20 HE1 MET 4 3HE MET 4 -6.299 1.715 -17.628 21 HE2 MET 4 1HE MET 4 -6.091 2.508 -19.190 22 HE3 MET 4 2HE MET 4 -4.784 2.535 -18.007 23 H ARG 5 H ARG 5 -3.487 -1.166 -12.942 24 HA ARG 5 HA ARG 5 -5.810 -0.472 -11.443 25 HB2 ARG 5 2HB ARG 5 -2.896 -0.689 -10.692 26 HB3 ARG 5 1HB ARG 5 -4.143 -0.239 -9.537 27 HG2 ARG 5 2HG ARG 5 -3.947 -2.501 -9.170 28 HG3 ARG 5 1HG ARG 5 -5.287 -2.440 -10.319 29 HD2 ARG 5 2HD ARG 5 -3.512 -2.725 -12.127 30 HD3 ARG 5 1HD ARG 5 -2.421 -3.180 -10.820 31 HE ARG 5 HE ARG 5 -4.561 -4.803 -10.444 32 HH11 ARG 5 1HH1 ARG 5 -2.507 -4.080 -13.180 33 HH12 ARG 5 2HH1 ARG 5 -2.714 -5.638 -13.917 34 HH21 ARG 5 1HH2 ARG 5 -4.846 -6.867 -11.410 35 HH22 ARG 5 2HH2 ARG 5 -4.031 -7.240 -12.895 36 HA PRO 6 HA PRO 6 -5.276 3.906 -11.924 37 HB2 PRO 6 2HB PRO 6 -7.374 4.427 -10.059 38 HB3 PRO 6 1HB PRO 6 -7.491 4.351 -11.819 39 HG2 PRO 6 2HG PRO 6 -8.679 2.541 -10.102 40 HG3 PRO 6 1HG PRO 6 -8.284 2.207 -11.790 41 HD2 PRO 6 2HD PRO 6 -6.765 1.536 -9.301 42 HD3 PRO 6 1HD PRO 6 -7.126 0.528 -10.716 43 HA PRO 7 HA PRO 7 -2.851 4.647 -8.158 44 HB2 PRO 7 2HB PRO 7 -1.759 6.868 -9.685 45 HB3 PRO 7 1HB PRO 7 -0.931 5.500 -8.948 46 HG2 PRO 7 2HG PRO 7 -1.194 5.773 -11.617 47 HG3 PRO 7 1HG PRO 7 -1.170 4.187 -10.826 48 HD2 PRO 7 2HD PRO 7 -3.509 5.757 -11.854 49 HD3 PRO 7 1HD PRO 7 -3.212 4.007 -11.924 50 H ILE 8 H ILE 8 -3.825 5.643 -6.613 51 HA ILE 8 HA ILE 8 -5.385 8.035 -7.073 52 HB ILE 8 HB ILE 8 -4.947 6.721 -4.410 53 HG12 ILE 8 2HG1 ILE 8 -6.988 5.904 -6.477 54 HG13 ILE 8 1HG1 ILE 8 -5.503 5.035 -6.172 55 HG21 ILE 8 1HG2 ILE 8 -7.176 7.538 -3.973 56 HG22 ILE 8 2HG2 ILE 8 -7.311 8.108 -5.634 57 HG23 ILE 8 3HG2 ILE 8 -6.157 8.864 -4.536 58 HD11 ILE 8 3HD1 ILE 8 -6.256 4.736 -3.820 59 HD12 ILE 8 1HD1 ILE 8 -7.228 3.906 -5.035 60 HD13 ILE 8 2HD1 ILE 8 -7.811 5.406 -4.315 61 H ILE 9 H ILE 9 -4.332 9.880 -7.107 62 HA ILE 9 HA ILE 9 -1.751 10.187 -5.923 63 HB ILE 9 HB ILE 9 -3.350 12.509 -6.916 64 HG12 ILE 9 2HG1 ILE 9 -3.608 10.585 -8.544 65 HG13 ILE 9 1HG1 ILE 9 -2.857 12.030 -9.206 66 HG21 ILE 9 1HG2 ILE 9 -1.199 13.012 -6.002 67 HG22 ILE 9 2HG2 ILE 9 -1.090 13.178 -7.754 68 HG23 ILE 9 3HG2 ILE 9 -0.435 11.744 -6.961 69 HD11 ILE 9 3HD1 ILE 9 -1.729 10.072 -10.012 70 HD12 ILE 9 1HD1 ILE 9 -1.460 9.502 -8.366 71 HD13 ILE 9 2HD1 ILE 9 -0.654 10.962 -8.935 72 H ILE 10 H ILE 10 -1.745 10.173 -3.721 73 HA ILE 10 HA ILE 10 -3.669 11.717 -2.203 74 HB ILE 10 HB ILE 10 -1.030 10.600 -1.194 75 HG12 ILE 10 2HG1 ILE 10 -3.467 9.195 -0.414 76 HG13 ILE 10 1HG1 ILE 10 -3.063 9.019 -2.091 77 HG21 ILE 10 1HG2 ILE 10 -2.459 10.567 0.973 78 HG22 ILE 10 2HG2 ILE 10 -3.452 11.749 0.121 79 HG23 ILE 10 3HG2 ILE 10 -1.747 12.085 0.420 80 HD11 ILE 10 3HD1 ILE 10 -0.762 8.352 -1.352 81 HD12 ILE 10 1HD1 ILE 10 -2.069 7.218 -1.001 82 HD13 ILE 10 2HD1 ILE 10 -1.447 8.265 0.271 83 H HIS 11 H HIS 11 -2.956 13.547 -0.843 84 HA HIS 11 HA HIS 11 -0.541 14.865 -1.819 85 HB2 HIS 11 2HB HIS 11 -2.493 15.844 -3.021 86 HB3 HIS 11 1HB HIS 11 -3.221 16.252 -1.470 87 HD2 HIS 11 2HD HIS 11 0.421 17.010 -2.822 88 HE1 HIS 11 1HE HIS 11 -1.387 20.547 -1.379 89 HE2 HIS 11 2HE HIS 11 0.642 19.578 -2.544 90 H ARG 12 H ARG 12 0.677 14.960 -0.093 91 HA ARG 12 HA ARG 12 -0.261 14.764 2.554 92 HB2 ARG 12 2HB ARG 12 1.981 14.072 1.798 93 HB3 ARG 12 1HB ARG 12 2.403 15.757 1.546 94 HG2 ARG 12 2HG ARG 12 2.234 16.207 3.893 95 HG3 ARG 12 1HG ARG 12 1.622 14.578 4.198 96 HD2 ARG 12 2HD ARG 12 3.694 13.620 3.422 97 HD3 ARG 12 1HD ARG 12 4.312 15.217 3.016 98 HE ARG 12 HE ARG 12 3.688 14.400 5.790 99 HH11 ARG 12 1HH1 ARG 12 5.757 16.018 3.459 100 HH12 ARG 12 2HH1 ARG 12 6.940 16.474 4.643 101 HH21 ARG 12 1HH2 ARG 12 5.234 15.018 7.336 102 HH22 ARG 12 2HH2 ARG 12 6.639 15.911 6.851 103 H ALA 13 H ALA 13 -1.625 16.292 3.228 104 HA ALA 13 HA ALA 13 -1.228 19.087 2.712 105 HB1 ALA 13 1HB ALA 13 -3.219 19.364 4.183 106 HB2 ALA 13 2HB ALA 13 -3.189 17.625 4.485 107 HB3 ALA 13 3HB ALA 13 -3.480 18.233 2.855 108 H GLY 14 H GLY 14 1.072 18.461 3.774 109 HA2 GLY 14 2HA GLY 14 2.489 19.364 5.380 110 HA3 GLY 14 1HA GLY 14 1.081 19.874 6.296 111 H LYS 15 H LYS 15 -0.233 17.485 6.659 112 HA LYS 15 HA LYS 15 1.387 16.324 8.724 113 HB2 LYS 15 2HB LYS 15 -0.801 14.769 8.777 114 HB3 LYS 15 1HB LYS 15 -0.710 16.341 9.546 115 HG2 LYS 15 2HG LYS 15 -1.833 17.379 7.699 116 HG3 LYS 15 1HG LYS 15 -1.801 15.870 6.785 117 HD2 LYS 15 2HD LYS 15 -3.997 16.188 7.749 118 HD3 LYS 15 1HD LYS 15 -3.199 14.818 8.523 119 HE2 LYS 15 2HE LYS 15 -2.572 16.282 10.409 120 HE3 LYS 15 1HE LYS 15 -3.412 17.622 9.630 121 HZ1 LYS 15 3HZ LYS 15 -4.731 15.086 10.420 122 HZ2 LYS 15 1HZ LYS 15 -5.478 16.502 9.878 123 HZ3 LYS 15 2HZ LYS 15 -4.711 16.473 11.385 124 H LYS 16 H LYS 16 -0.666 14.347 6.610 125 HA LYS 16 HA LYS 16 1.608 12.939 5.515 126 HB2 LYS 16 2HB LYS 16 0.713 10.736 6.497 127 HB3 LYS 16 1HB LYS 16 1.650 11.783 7.543 128 HG2 LYS 16 2HG LYS 16 -0.646 12.715 8.275 129 HG3 LYS 16 1HG LYS 16 -1.282 11.227 7.572 130 HD2 LYS 16 2HD LYS 16 0.033 9.886 9.058 131 HD3 LYS 16 1HD LYS 16 0.912 11.303 9.641 132 HE2 LYS 16 2HE LYS 16 -1.207 12.190 10.550 133 HE3 LYS 16 1HE LYS 16 -2.021 10.713 10.035 134 HZ1 LYS 16 3HZ LYS 16 -1.523 10.342 12.252 135 HZ2 LYS 16 1HZ LYS 16 0.001 11.064 12.153 136 HZ3 LYS 16 2HZ LYS 16 -0.262 9.549 11.457 137 H TYR 17 H TYR 17 0.542 10.659 4.614 138 HA TYR 17 HA TYR 17 -1.433 11.591 2.692 139 HB2 TYR 17 2HB TYR 17 -0.163 8.853 2.805 140 HB3 TYR 17 1HB TYR 17 -0.934 9.632 1.405 141 HD1 TYR 17 2HD TYR 17 0.182 11.415 0.232 142 HD2 TYR 17 1HD TYR 17 2.106 9.439 3.454 143 HE1 TYR 17 2HE TYR 17 2.327 12.389 -0.467 144 HE2 TYR 17 1HE TYR 17 4.261 10.410 2.774 145 HH TYR 17 HH TYR 17 5.250 11.306 0.526 146 H GLY 18 H GLY 18 -1.559 10.500 5.680 147 HA2 GLY 18 2HA GLY 18 -3.121 9.563 7.018 148 HA3 GLY 18 1HA GLY 18 -4.250 10.154 5.835 149 H PHE 19 H PHE 19 -1.925 7.489 5.768 150 HA PHE 19 HA PHE 19 -4.008 5.558 6.055 151 HB2 PHE 19 2HB PHE 19 -4.080 4.554 3.946 152 HB3 PHE 19 1HB PHE 19 -4.204 6.254 3.638 153 HD1 PHE 19 2HD PHE 19 -2.050 7.477 2.926 154 HD2 PHE 19 1HD PHE 19 -2.470 3.246 2.953 155 HE1 PHE 19 2HE PHE 19 -0.131 7.274 1.391 156 HE2 PHE 19 1HE PHE 19 -0.561 3.038 1.421 157 HZ PHE 19 HZ PHE 19 0.612 5.053 0.636 158 H THR 20 H THR 20 -3.449 3.525 6.248 159 HA THR 20 HA THR 20 -0.706 3.050 7.176 160 HB THR 20 HB THR 20 -3.226 1.418 7.549 161 HG1 THR 20 1HG THR 20 -3.036 3.643 8.491 162 HG21 THR 20 3HG2 THR 20 -0.676 1.272 9.152 163 HG22 THR 20 1HG2 THR 20 -1.057 0.173 7.825 164 HG23 THR 20 2HG2 THR 20 -2.084 0.209 9.259 165 H LEU 21 H LEU 21 0.733 2.032 5.861 166 HA LEU 21 HA LEU 21 -0.297 0.267 3.769 167 HB2 LEU 21 2HB LEU 21 1.671 2.096 3.537 168 HB3 LEU 21 1HB LEU 21 2.634 0.731 4.024 169 HG LEU 21 HG LEU 21 2.434 -0.293 2.023 170 HD11 LEU 21 1HD1 LEU 21 0.118 -0.860 2.226 171 HD12 LEU 21 2HD1 LEU 21 0.396 -0.208 0.614 172 HD13 LEU 21 3HD1 LEU 21 -0.368 0.792 1.850 173 HD21 LEU 21 3HD2 LEU 21 2.379 1.241 0.196 174 HD22 LEU 21 1HD2 LEU 21 3.129 2.053 1.569 175 HD23 LEU 21 2HD2 LEU 21 1.457 2.412 1.139 176 H ARG 22 H ARG 22 -0.926 -1.414 5.207 177 HA ARG 22 HA ARG 22 0.824 -2.702 7.028 178 HB2 ARG 22 2HB ARG 22 -1.801 -2.791 6.661 179 HB3 ARG 22 1HB ARG 22 -1.398 -4.186 5.677 180 HG2 ARG 22 2HG ARG 22 -1.724 -5.228 7.655 181 HG3 ARG 22 1HG ARG 22 -0.016 -4.829 7.846 182 HD2 ARG 22 2HD ARG 22 -0.448 -3.105 9.323 183 HD3 ARG 22 1HD ARG 22 -2.102 -2.881 8.744 184 HE ARG 22 HE ARG 22 -2.092 -5.386 9.832 185 HH11 ARG 22 1HH1 ARG 22 -1.178 -2.225 11.041 186 HH12 ARG 22 2HH1 ARG 22 -1.726 -2.565 12.654 187 HH21 ARG 22 1HH2 ARG 22 -2.775 -5.830 11.961 188 HH22 ARG 22 2HH2 ARG 22 -2.619 -4.602 13.180 189 H ALA 23 H ALA 23 2.125 -4.492 6.795 190 HA ALA 23 HA ALA 23 2.752 -5.281 4.034 191 HB1 ALA 23 1HB ALA 23 4.409 -5.638 6.531 192 HB2 ALA 23 2HB ALA 23 4.600 -4.336 5.353 193 HB3 ALA 23 3HB ALA 23 4.910 -6.005 4.878 194 H ILE 24 H ILE 24 2.351 -7.288 3.322 195 HA ILE 24 HA ILE 24 2.082 -9.459 5.274 196 HB ILE 24 HB ILE 24 0.110 -10.308 3.838 197 HG12 ILE 24 2HG1 ILE 24 -0.425 -7.387 3.415 198 HG13 ILE 24 1HG1 ILE 24 0.497 -8.296 2.222 199 HG21 ILE 24 1HG2 ILE 24 -1.493 -9.152 5.289 200 HG22 ILE 24 2HG2 ILE 24 -0.240 -7.996 5.741 201 HG23 ILE 24 3HG2 ILE 24 -0.072 -9.695 6.183 202 HD11 ILE 24 3HD1 ILE 24 -1.368 -9.830 1.935 203 HD12 ILE 24 1HD1 ILE 24 -1.858 -8.162 1.635 204 HD13 ILE 24 2HD1 ILE 24 -2.286 -8.948 3.154 205 H ARG 25 H ARG 25 1.955 -11.610 4.163 206 HA ARG 25 HA ARG 25 3.348 -11.619 1.592 207 HB2 ARG 25 2HB ARG 25 4.693 -13.612 2.620 208 HB3 ARG 25 1HB ARG 25 5.207 -11.957 2.894 209 HG2 ARG 25 2HG ARG 25 3.537 -12.348 4.999 210 HG3 ARG 25 1HG ARG 25 4.209 -13.963 4.781 211 HD2 ARG 25 2HD ARG 25 5.537 -12.677 6.359 212 HD3 ARG 25 1HD ARG 25 6.467 -13.043 4.909 213 HE ARG 25 HE ARG 25 6.708 -10.813 4.580 214 HH11 ARG 25 1HH1 ARG 25 3.891 -11.269 6.636 215 HH12 ARG 25 2HH1 ARG 25 3.597 -9.570 6.822 216 HH21 ARG 25 1HH2 ARG 25 6.349 -8.576 4.880 217 HH22 ARG 25 2HH2 ARG 25 5.002 -8.040 5.832 218 H VAL 26 H VAL 26 2.093 -12.659 0.290 219 HA VAL 26 HA VAL 26 0.222 -14.650 1.259 220 HB VAL 26 HB VAL 26 -0.509 -14.727 -1.163 221 HG11 VAL 26 1HG1 VAL 26 -1.223 -12.113 -0.915 222 HG12 VAL 26 2HG1 VAL 26 -0.779 -12.507 0.747 223 HG13 VAL 26 3HG1 VAL 26 -2.018 -13.448 -0.085 224 HG21 VAL 26 3HG2 VAL 26 1.354 -13.946 -2.358 225 HG22 VAL 26 1HG2 VAL 26 1.505 -12.512 -1.343 226 HG23 VAL 26 2HG2 VAL 26 0.156 -12.657 -2.469 227 H TYR 27 H TYR 27 0.789 -16.708 1.455 228 HA TYR 27 HA TYR 27 3.063 -17.768 0.038 229 HB2 TYR 27 2HB TYR 27 1.144 -18.867 2.070 230 HB3 TYR 27 1HB TYR 27 2.199 -19.953 1.173 231 HD1 TYR 27 2HD TYR 27 2.322 -16.875 3.285 232 HD2 TYR 27 1HD TYR 27 4.326 -20.383 1.961 233 HE1 TYR 27 2HE TYR 27 4.147 -16.423 4.872 234 HE2 TYR 27 1HE TYR 27 6.156 -19.943 3.544 235 HH TYR 27 HH TYR 27 7.136 -18.042 4.760 236 H MET 28 H MET 28 2.817 -18.154 -2.059 237 HA MET 28 HA MET 28 0.260 -18.901 -3.163 238 HB2 MET 28 2HB MET 28 2.637 -17.708 -4.144 239 HB3 MET 28 1HB MET 28 2.332 -19.138 -5.100 240 HG2 MET 28 2HG MET 28 1.360 -17.147 -6.063 241 HG3 MET 28 1HG MET 28 0.152 -18.335 -5.622 242 HE1 MET 28 3HE MET 28 -1.877 -15.114 -4.975 243 HE2 MET 28 1HE MET 28 -1.943 -16.766 -5.589 244 HE3 MET 28 2HE MET 28 -0.860 -15.590 -6.334 245 H GLY 29 H GLY 29 2.542 -20.649 -1.615 246 HA2 GLY 29 2HA GLY 29 1.549 -23.109 -2.759 247 HA3 GLY 29 1HA GLY 29 3.261 -22.818 -3.032 248 H ASP 30 H ASP 30 2.367 -25.015 -1.636 249 HA ASP 30 HA ASP 30 2.556 -24.497 1.201 250 HB2 ASP 30 2HB ASP 30 1.125 -26.318 0.252 251 HB3 ASP 30 1HB ASP 30 2.588 -27.144 -0.270 252 H SER 31 H SER 31 4.667 -23.373 0.579 253 HA SER 31 HA SER 31 6.849 -24.957 1.513 254 HB2 SER 31 2HB SER 31 6.969 -23.912 -1.332 255 HB3 SER 31 1HB SER 31 8.315 -24.632 -0.458 256 HG SER 31 HG SER 31 6.210 -26.289 -0.367 257 H ASP 32 H ASP 32 8.914 -23.193 0.562 258 HA ASP 32 HA ASP 32 8.409 -20.955 2.300 259 HB2 ASP 32 2HB ASP 32 10.697 -20.543 2.218 260 HB3 ASP 32 1HB ASP 32 10.623 -22.282 1.963 261 H VAL 33 H VAL 33 7.301 -21.418 -0.643 262 HA VAL 33 HA VAL 33 8.096 -18.964 -1.915 263 HB VAL 33 HB VAL 33 7.710 -20.708 -3.434 264 HG11 VAL 33 1HG1 VAL 33 5.010 -21.119 -2.158 265 HG12 VAL 33 2HG1 VAL 33 6.397 -22.200 -2.047 266 HG13 VAL 33 3HG1 VAL 33 5.593 -21.956 -3.596 267 HG21 VAL 33 3HG2 VAL 33 5.294 -18.911 -3.489 268 HG22 VAL 33 1HG2 VAL 33 5.874 -19.888 -4.840 269 HG23 VAL 33 2HG2 VAL 33 6.869 -18.574 -4.209 270 H TYR 34 H TYR 34 7.211 -17.093 -1.644 271 HA TYR 34 HA TYR 34 4.395 -16.730 -1.191 272 HB2 TYR 34 2HB TYR 34 4.647 -15.457 0.922 273 HB3 TYR 34 1HB TYR 34 5.097 -17.147 1.118 274 HD1 TYR 34 1HD TYR 34 6.349 -13.692 0.996 275 HD2 TYR 34 2HD TYR 34 7.381 -17.777 1.583 276 HE1 TYR 34 1HE TYR 34 8.531 -13.006 1.896 277 HE2 TYR 34 2HE TYR 34 9.563 -17.101 2.487 278 HH TYR 34 HH TYR 34 11.078 -14.779 2.056 279 H THR 35 H THR 35 3.728 -14.550 -1.525 280 HA THR 35 HA THR 35 5.868 -12.886 -2.702 281 HB THR 35 HB THR 35 3.227 -12.008 -3.433 282 HG1 THR 35 1HG THR 35 3.750 -14.742 -3.574 283 HG21 THR 35 3HG2 THR 35 5.284 -11.400 -4.602 284 HG22 THR 35 1HG2 THR 35 4.146 -12.188 -5.694 285 HG23 THR 35 2HG2 THR 35 5.527 -13.086 -5.064 286 H VAL 36 H VAL 36 6.236 -10.956 -1.847 287 HA VAL 36 HA VAL 36 4.740 -10.181 0.504 288 HB VAL 36 HB VAL 36 7.151 -8.860 -0.757 289 HG11 VAL 36 1HG1 VAL 36 7.359 -7.621 1.287 290 HG12 VAL 36 2HG1 VAL 36 6.004 -8.491 2.006 291 HG13 VAL 36 3HG1 VAL 36 5.726 -7.382 0.662 292 HG21 VAL 36 3HG2 VAL 36 8.428 -9.937 1.024 293 HG22 VAL 36 1HG2 VAL 36 7.619 -11.140 0.019 294 HG23 VAL 36 2HG2 VAL 36 6.965 -10.729 1.605 295 H HIS 37 H HIS 37 3.041 -8.957 0.400 296 HA HIS 37 HA HIS 37 2.892 -6.858 -1.654 297 HB2 HIS 37 2HB HIS 37 0.699 -8.712 -0.705 298 HB3 HIS 37 1HB HIS 37 0.362 -7.201 -1.539 299 HD2 HIS 37 2HD HIS 37 1.302 -10.817 -2.280 300 HE1 HIS 37 1HE HIS 37 1.477 -8.671 -5.917 301 HE2 HIS 37 2HE HIS 37 1.285 -10.967 -4.868 302 H HIS 38 H HIS 38 0.845 -5.413 -0.902 303 HA HIS 38 HA HIS 38 0.913 -4.923 1.967 304 HB2 HIS 38 2HB HIS 38 1.705 -2.816 -0.067 305 HB3 HIS 38 1HB HIS 38 1.447 -2.523 1.648 306 HD2 HIS 38 2HD HIS 38 4.215 -3.441 -0.744 307 HE1 HIS 38 1HE HIS 38 5.629 -4.339 3.134 308 HE2 HIS 38 2HE HIS 38 6.190 -4.371 0.665 309 H MET 39 H MET 39 -0.797 -3.489 2.644 310 HA MET 39 HA MET 39 -2.812 -2.801 0.656 311 HB2 MET 39 2HB MET 39 -3.403 -4.665 2.972 312 HB3 MET 39 1HB MET 39 -4.618 -3.943 1.928 313 HG2 MET 39 2HG MET 39 -3.212 -5.127 0.046 314 HG3 MET 39 1HG MET 39 -2.705 -6.151 1.388 315 HE1 MET 39 3HE MET 39 -5.402 -6.064 3.205 316 HE2 MET 39 1HE MET 39 -4.411 -7.495 2.924 317 HE3 MET 39 2HE MET 39 -6.151 -7.561 2.650 318 H VAL 40 H VAL 40 -4.235 -1.204 1.369 319 HA VAL 40 HA VAL 40 -3.261 0.371 3.545 320 HB VAL 40 HB VAL 40 -4.085 1.603 1.692 321 HG11 VAL 40 1HG1 VAL 40 -5.573 -0.106 0.764 322 HG12 VAL 40 2HG1 VAL 40 -6.353 1.473 0.859 323 HG13 VAL 40 3HG1 VAL 40 -6.739 0.226 2.044 324 HG21 VAL 40 3HG2 VAL 40 -4.647 2.313 4.110 325 HG22 VAL 40 1HG2 VAL 40 -6.308 1.928 3.669 326 HG23 VAL 40 2HG2 VAL 40 -5.424 3.164 2.772 327 H TRP 41 H TRP 41 -3.522 -0.420 5.462 328 HA TRP 41 HA TRP 41 -5.704 -2.035 6.306 329 HB2 TRP 41 2HB TRP 41 -3.235 -1.753 7.196 330 HB3 TRP 41 1HB TRP 41 -3.997 -0.576 8.251 331 HD1 TRP 41 HD TRP 41 -4.297 -1.670 10.509 332 HE1 TRP 41 1HE TRP 41 -5.190 -3.918 11.361 333 HE3 TRP 41 3HE TRP 41 -5.126 -3.967 6.018 334 HZ2 TRP 41 2HZ TRP 41 -6.140 -6.355 10.272 335 HZ3 TRP 41 3HZ TRP 41 -6.032 -6.254 6.013 336 HH2 TRP 41 HH TRP 41 -6.527 -7.420 8.098 337 H HIS 42 H HIS 42 -4.824 1.311 6.725 338 HA HIS 42 HA HIS 42 -7.588 1.986 7.308 339 HB2 HIS 42 2HB HIS 42 -6.051 1.419 9.440 340 HB3 HIS 42 1HB HIS 42 -5.647 3.111 9.238 341 HD2 HIS 42 2HD HIS 42 -7.925 4.874 9.378 342 HE1 HIS 42 1HE HIS 42 -10.206 2.042 11.540 343 HE2 HIS 42 2HE HIS 42 -10.145 4.407 10.640 344 H VAL 43 H VAL 43 -8.063 3.871 6.403 345 HA VAL 43 HA VAL 43 -5.864 5.753 5.925 346 HB VAL 43 HB VAL 43 -6.348 4.782 3.806 347 HG11 VAL 43 1HG1 VAL 43 -8.458 3.817 4.115 348 HG12 VAL 43 2HG1 VAL 43 -8.625 4.990 2.811 349 HG13 VAL 43 3HG1 VAL 43 -9.206 5.379 4.432 350 HG21 VAL 43 3HG2 VAL 43 -5.927 7.167 3.762 351 HG22 VAL 43 1HG2 VAL 43 -7.651 7.488 3.990 352 HG23 VAL 43 2HG2 VAL 43 -7.094 6.718 2.505 353 H GLU 44 H GLU 44 -6.131 7.676 6.626 354 HA GLU 44 HA GLU 44 -8.304 8.385 8.291 355 HB2 GLU 44 2HB GLU 44 -5.708 9.454 7.561 356 HB3 GLU 44 1HB GLU 44 -6.913 10.716 7.750 357 HG2 GLU 44 2HG GLU 44 -7.475 9.681 9.978 358 HG3 GLU 44 1HG GLU 44 -6.042 8.673 9.769 359 H ASP 45 H ASP 45 -10.211 8.957 7.627 360 HA ASP 45 HA ASP 45 -10.687 10.084 5.018 361 HB2 ASP 45 2HB ASP 45 -13.084 10.026 5.739 362 HB3 ASP 45 1HB ASP 45 -12.275 8.467 5.856 363 H GLY 46 H GLY 46 -9.068 11.754 6.568 364 HA2 GLY 46 2HA GLY 46 -10.883 13.946 7.324 365 HA3 GLY 46 1HA GLY 46 -9.241 13.755 7.912 366 H GLY 47 H GLY 47 -8.827 13.030 4.788 367 HA2 GLY 47 2HA GLY 47 -9.215 15.211 3.226 368 HA3 GLY 47 1HA GLY 47 -7.869 15.699 4.231 369 HA PRO 48 HA PRO 48 -4.814 13.504 1.877 370 HB2 PRO 48 2HB PRO 48 -4.725 11.167 3.714 371 HB3 PRO 48 1HB PRO 48 -3.407 12.168 3.096 372 HG2 PRO 48 2HG PRO 48 -4.209 12.506 5.563 373 HG3 PRO 48 1HG PRO 48 -3.956 13.945 4.546 374 HD2 PRO 48 2HD PRO 48 -6.525 12.548 5.233 375 HD3 PRO 48 1HD PRO 48 -6.135 14.276 5.275 376 H ALA 49 H ALA 49 -4.536 10.404 2.224 377 HA ALA 49 HA ALA 49 -5.228 9.591 -0.255 378 HB1 ALA 49 1HB ALA 49 -4.241 7.732 0.407 379 HB2 ALA 49 2HB ALA 49 -5.549 7.361 1.534 380 HB3 ALA 49 3HB ALA 49 -4.203 8.380 2.054 381 H SER 50 H SER 50 -7.420 9.497 2.536 382 HA SER 50 HA SER 50 -9.411 7.910 1.414 383 HB2 SER 50 2HB SER 50 -9.398 10.071 3.481 384 HB3 SER 50 1HB SER 50 -10.913 9.353 2.961 385 HG SER 50 HG SER 50 -10.021 7.302 3.532 386 H GLU 51 H GLU 51 -9.426 11.466 1.616 387 HA GLU 51 HA GLU 51 -11.637 11.803 -0.098 388 HB2 GLU 51 2HB GLU 51 -9.464 13.709 0.746 389 HB3 GLU 51 1HB GLU 51 -10.881 14.185 -0.185 390 HG2 GLU 51 2HG GLU 51 -11.120 12.772 2.440 391 HG3 GLU 51 1HG GLU 51 -10.946 14.520 2.340 392 H ALA 52 H ALA 52 -8.306 11.294 -0.689 393 HA ALA 52 HA ALA 52 -8.150 12.380 -3.296 394 HB1 ALA 52 1HB ALA 52 -6.315 11.506 -1.594 395 HB2 ALA 52 2HB ALA 52 -6.023 11.553 -3.335 396 HB3 ALA 52 3HB ALA 52 -6.484 10.037 -2.558 397 H GLY 53 H GLY 53 -9.426 9.435 -1.991 398 HA2 GLY 53 2HA GLY 53 -11.142 8.477 -3.580 399 HA3 GLY 53 1HA GLY 53 -9.803 8.380 -4.709 400 H LEU 54 H LEU 54 -8.293 7.755 -1.954 401 HA LEU 54 HA LEU 54 -8.141 4.958 -2.451 402 HB2 LEU 54 2HB LEU 54 -6.427 6.656 -1.352 403 HB3 LEU 54 1HB LEU 54 -7.156 6.064 0.120 404 HG LEU 54 HG LEU 54 -5.756 4.403 -1.974 405 HD11 LEU 54 1HD1 LEU 54 -4.167 5.635 -0.679 406 HD12 LEU 54 2HD1 LEU 54 -4.175 3.968 -0.096 407 HD13 LEU 54 3HD1 LEU 54 -5.003 5.227 0.818 408 HD21 LEU 54 3HD2 LEU 54 -7.746 3.411 -0.701 409 HD22 LEU 54 1HD2 LEU 54 -6.660 3.423 0.685 410 HD23 LEU 54 2HD2 LEU 54 -6.232 2.507 -0.763 411 H ARG 55 H ARG 55 -9.490 3.491 -1.864 412 HA ARG 55 HA ARG 55 -11.267 3.983 0.400 413 HB2 ARG 55 2HB ARG 55 -12.478 1.945 -0.455 414 HB3 ARG 55 1HB ARG 55 -12.477 3.331 -1.534 415 HG2 ARG 55 2HG ARG 55 -11.803 1.952 -3.130 416 HG3 ARG 55 1HG ARG 55 -10.248 1.873 -2.302 417 HD2 ARG 55 2HD ARG 55 -11.133 -0.358 -2.756 418 HD3 ARG 55 1HD ARG 55 -11.010 -0.056 -1.023 419 HE ARG 55 HE ARG 55 -13.575 0.652 -1.676 420 HH11 ARG 55 1HH1 ARG 55 -11.645 -2.236 -2.062 421 HH12 ARG 55 2HH1 ARG 55 -12.991 -3.317 -1.918 422 HH21 ARG 55 1HH2 ARG 55 -15.359 -0.764 -1.479 423 HH22 ARG 55 2HH2 ARG 55 -15.115 -2.479 -1.598 424 H GLN 56 H GLN 56 -10.788 3.143 2.319 425 HA GLN 56 HA GLN 56 -8.608 1.603 2.955 426 HB2 GLN 56 2HB GLN 56 -10.075 2.816 4.554 427 HB3 GLN 56 1HB GLN 56 -11.252 1.539 4.401 428 HG2 GLN 56 2HG GLN 56 -9.804 0.020 5.398 429 HG3 GLN 56 1HG GLN 56 -8.440 1.109 5.318 430 HE21 GLN 56 1HE2 GLN 56 -9.776 -0.273 7.588 431 HE22 GLN 56 2HE2 GLN 56 -10.146 0.985 8.712 432 H GLY 57 H GLY 57 -8.137 -0.552 3.177 433 HA2 GLY 57 2HA GLY 57 -8.594 -2.858 3.254 434 HA3 GLY 57 1HA GLY 57 -10.210 -2.538 2.643 435 H ASP 58 H ASP 58 -7.989 -0.844 0.801 436 HA ASP 58 HA ASP 58 -8.261 -2.771 -1.370 437 HB2 ASP 58 2HB ASP 58 -8.492 -0.099 -1.388 438 HB3 ASP 58 1HB ASP 58 -6.784 -0.245 -1.799 439 H LEU 59 H LEU 59 -6.479 -3.384 -2.689 440 HA LEU 59 HA LEU 59 -4.034 -3.778 -1.112 441 HB2 LEU 59 2HB LEU 59 -4.779 -5.873 -1.774 442 HB3 LEU 59 1HB LEU 59 -5.350 -5.296 -3.326 443 HG LEU 59 HG LEU 59 -2.762 -4.923 -3.761 444 HD11 LEU 59 1HD1 LEU 59 -2.008 -5.546 -1.552 445 HD12 LEU 59 2HD1 LEU 59 -1.441 -6.727 -2.735 446 HD13 LEU 59 3HD1 LEU 59 -2.809 -7.111 -1.691 447 HD21 LEU 59 3HD2 LEU 59 -2.673 -7.205 -4.717 448 HD22 LEU 59 1HD2 LEU 59 -4.142 -6.322 -5.133 449 HD23 LEU 59 2HD2 LEU 59 -4.185 -7.570 -3.890 450 H ILE 60 H ILE 60 -2.120 -2.971 -1.764 451 HA ILE 60 HA ILE 60 -2.186 -1.127 -4.021 452 HB ILE 60 HB ILE 60 -0.125 -1.533 -1.847 453 HG12 ILE 60 2HG1 ILE 60 -0.810 0.905 -1.390 454 HG13 ILE 60 1HG1 ILE 60 -2.207 0.572 -2.404 455 HG21 ILE 60 1HG2 ILE 60 -0.128 0.467 -4.109 456 HG22 ILE 60 2HG2 ILE 60 0.977 -0.899 -3.932 457 HG23 ILE 60 3HG2 ILE 60 1.020 0.424 -2.769 458 HD11 ILE 60 3HD1 ILE 60 -1.506 -0.991 0.068 459 HD12 ILE 60 1HD1 ILE 60 -2.982 -1.103 -0.893 460 HD13 ILE 60 2HD1 ILE 60 -2.636 0.365 0.021 461 H THR 61 H THR 61 -1.418 -1.666 -5.925 462 HA THR 61 HA THR 61 0.241 -4.071 -6.146 463 HB THR 61 HB THR 61 -0.422 -4.188 -8.446 464 HG1 THR 61 1HG THR 61 -0.417 -2.106 -9.176 465 HG21 THR 61 3HG2 THR 61 -2.832 -3.324 -6.833 466 HG22 THR 61 1HG2 THR 61 -2.098 -4.930 -6.788 467 HG23 THR 61 2HG2 THR 61 -2.841 -4.345 -8.276 468 H HIS 62 H HIS 62 0.105 -0.672 -7.026 469 HA HIS 62 HA HIS 62 3.004 -0.683 -7.465 470 HB2 HIS 62 2HB HIS 62 0.928 0.480 -9.329 471 HB3 HIS 62 1HB HIS 62 2.626 0.916 -9.388 472 HD2 HIS 62 2HD HIS 62 4.169 -0.706 -10.888 473 HE1 HIS 62 1HE HIS 62 1.316 -3.784 -11.431 474 HE2 HIS 62 2HE HIS 62 3.520 -2.825 -12.230 475 H VAL 63 H VAL 63 3.979 1.396 -7.222 476 HA VAL 63 HA VAL 63 2.303 3.492 -6.075 477 HB VAL 63 HB VAL 63 3.135 2.304 -4.143 478 HG11 VAL 63 1HG1 VAL 63 5.079 1.223 -5.141 479 HG12 VAL 63 2HG1 VAL 63 5.505 2.060 -3.648 480 HG13 VAL 63 3HG1 VAL 63 5.914 2.776 -5.206 481 HG21 VAL 63 3HG2 VAL 63 3.582 4.175 -2.987 482 HG22 VAL 63 1HG2 VAL 63 3.332 4.981 -4.535 483 HG23 VAL 63 2HG2 VAL 63 4.967 4.591 -3.997 484 H ASN 64 H ASN 64 2.594 5.169 -7.353 485 HA ASN 64 HA ASN 64 3.570 6.772 -8.656 486 HB2 ASN 64 2HB ASN 64 5.393 6.269 -6.511 487 HB3 ASN 64 1HB ASN 64 6.318 6.580 -7.974 488 HD21 ASN 64 1HD2 ASN 64 7.080 8.556 -7.372 489 HD22 ASN 64 2HD2 ASN 64 6.073 9.944 -7.152 490 H GLY 65 H GLY 65 3.459 4.003 -9.599 491 HA2 GLY 65 2HA GLY 65 4.063 2.965 -11.578 492 HA3 GLY 65 1HA GLY 65 5.158 4.301 -11.889 493 H GLU 66 H GLU 66 5.029 2.135 -9.143 494 HA GLU 66 HA GLU 66 7.470 0.803 -9.892 495 HB2 GLU 66 2HB GLU 66 7.687 3.024 -8.458 496 HB3 GLU 66 1HB GLU 66 7.298 1.929 -7.145 497 HG2 GLU 66 2HG GLU 66 9.753 2.339 -7.595 498 HG3 GLU 66 1HG GLU 66 9.236 0.660 -7.459 499 HA PRO 67 HA PRO 67 4.603 -2.363 -8.345 500 HB2 PRO 67 2HB PRO 67 6.677 -4.271 -8.596 501 HB3 PRO 67 1HB PRO 67 5.363 -3.977 -9.737 502 HG2 PRO 67 2HG PRO 67 8.171 -3.034 -9.797 503 HG3 PRO 67 1HG PRO 67 7.058 -3.356 -11.140 504 HD2 PRO 67 2HD PRO 67 7.685 -0.861 -10.357 505 HD3 PRO 67 1HD PRO 67 6.096 -1.257 -11.008 506 H VAL 68 H VAL 68 4.299 -2.873 -6.371 507 HA VAL 68 HA VAL 68 6.334 -2.330 -4.364 508 HB VAL 68 HB VAL 68 4.573 -2.541 -2.708 509 HG11 VAL 68 1HG1 VAL 68 3.023 -0.759 -3.518 510 HG12 VAL 68 2HG1 VAL 68 3.777 -0.897 -5.107 511 HG13 VAL 68 3HG1 VAL 68 4.733 -0.379 -3.717 512 HG21 VAL 68 3HG2 VAL 68 3.341 -4.393 -3.696 513 HG22 VAL 68 1HG2 VAL 68 2.779 -3.339 -4.995 514 HG23 VAL 68 2HG2 VAL 68 2.264 -3.044 -3.336 515 H HIS 69 H HIS 69 5.287 -4.731 -6.189 516 HA HIS 69 HA HIS 69 5.098 -7.017 -4.708 517 HB2 HIS 69 2HB HIS 69 6.039 -6.375 -7.492 518 HB3 HIS 69 1HB HIS 69 5.831 -7.994 -6.915 519 HD2 HIS 69 2HD HIS 69 3.119 -5.584 -5.724 520 HE1 HIS 69 1HE HIS 69 1.564 -7.788 -8.991 521 HE2 HIS 69 2HE HIS 69 0.986 -6.378 -6.964 522 H GLY 70 H GLY 70 6.593 -7.396 -3.123 523 HA2 GLY 70 2HA GLY 70 8.600 -8.636 -2.663 524 HA3 GLY 70 1HA GLY 70 9.351 -7.864 -4.051 525 H LEU 71 H LEU 71 7.787 -5.394 -2.699 526 HA LEU 71 HA LEU 71 10.182 -4.354 -1.470 527 HB2 LEU 71 2HB LEU 71 7.400 -3.205 -1.716 528 HB3 LEU 71 1HB LEU 71 8.755 -2.352 -1.012 529 HG LEU 71 HG LEU 71 8.350 -3.126 -3.888 530 HD11 LEU 71 1HD1 LEU 71 7.343 -1.021 -2.891 531 HD12 LEU 71 2HD1 LEU 71 8.381 -0.801 -4.300 532 HD13 LEU 71 3HD1 LEU 71 8.997 -0.445 -2.686 533 HD21 LEU 71 3HD2 LEU 71 10.857 -2.092 -2.573 534 HD22 LEU 71 1HD2 LEU 71 10.576 -2.148 -4.313 535 HD23 LEU 71 2HD2 LEU 71 10.650 -3.645 -3.384 536 H VAL 72 H VAL 72 10.561 -3.986 0.678 537 HA VAL 72 HA VAL 72 8.958 -5.486 2.546 538 HB VAL 72 HB VAL 72 11.542 -5.082 2.593 539 HG11 VAL 72 1HG1 VAL 72 10.843 -2.820 4.418 540 HG12 VAL 72 2HG1 VAL 72 11.086 -2.532 2.697 541 HG13 VAL 72 3HG1 VAL 72 12.389 -3.221 3.665 542 HG21 VAL 72 3HG2 VAL 72 11.618 -5.735 4.824 543 HG22 VAL 72 1HG2 VAL 72 10.017 -6.255 4.298 544 HG23 VAL 72 2HG2 VAL 72 10.200 -4.783 5.252 545 H HIS 73 H HIS 73 8.328 -4.316 4.668 546 HA HIS 73 HA HIS 73 6.246 -2.593 4.265 547 HB2 HIS 73 2HB HIS 73 6.957 -3.820 6.416 548 HB3 HIS 73 1HB HIS 73 7.945 -2.413 6.740 549 HD1 HIS 73 1HD HIS 73 4.478 -3.618 6.978 550 HD2 HIS 73 2HD HIS 73 6.483 0.009 7.084 551 HE1 HIS 73 1HE HIS 73 2.848 -1.944 7.915 552 H THR 74 H THR 74 9.482 -1.682 5.322 553 HA THR 74 HA THR 74 8.923 1.089 5.384 554 HB THR 74 HB THR 74 11.210 1.350 5.966 555 HG1 THR 74 1HG THR 74 12.563 -0.700 5.699 556 HG21 THR 74 3HG2 THR 74 10.133 0.335 7.781 557 HG22 THR 74 1HG2 THR 74 11.546 -0.692 7.531 558 HG23 THR 74 2HG2 THR 74 9.961 -1.213 6.940 559 H GLU 75 H GLU 75 9.861 -1.050 2.833 560 HA GLU 75 HA GLU 75 11.135 0.879 1.200 561 HB2 GLU 75 2HB GLU 75 10.078 -1.867 0.784 562 HB3 GLU 75 1HB GLU 75 10.425 -0.869 -0.620 563 HG2 GLU 75 2HG GLU 75 12.715 -0.514 0.284 564 HG3 GLU 75 1HG GLU 75 12.343 -1.691 1.540 565 H VAL 76 H VAL 76 7.773 -0.321 1.346 566 HA VAL 76 HA VAL 76 6.923 1.235 -0.869 567 HB VAL 76 HB VAL 76 4.610 0.978 0.065 568 HG11 VAL 76 1HG1 VAL 76 6.251 -1.507 -0.294 569 HG12 VAL 76 2HG1 VAL 76 5.514 -0.542 -1.573 570 HG13 VAL 76 3HG1 VAL 76 4.494 -1.411 -0.426 571 HG21 VAL 76 3HG2 VAL 76 6.080 0.052 2.383 572 HG22 VAL 76 1HG2 VAL 76 4.853 -1.098 1.849 573 HG23 VAL 76 2HG2 VAL 76 4.388 0.565 2.246 574 H VAL 77 H VAL 77 6.852 1.762 2.614 575 HA VAL 77 HA VAL 77 5.665 4.259 2.701 576 HB VAL 77 HB VAL 77 7.890 3.279 4.461 577 HG11 VAL 77 1HG1 VAL 77 7.424 5.688 4.677 578 HG12 VAL 77 2HG1 VAL 77 7.027 4.785 6.138 579 HG13 VAL 77 3HG1 VAL 77 5.744 5.302 5.046 580 HG21 VAL 77 3HG2 VAL 77 6.285 1.613 4.626 581 HG22 VAL 77 1HG2 VAL 77 4.944 2.752 4.475 582 HG23 VAL 77 2HG2 VAL 77 5.889 2.690 5.965 583 H GLU 78 H GLU 78 9.110 3.438 2.360 584 HA GLU 78 HA GLU 78 10.060 6.067 2.135 585 HB2 GLU 78 2HB GLU 78 11.131 3.402 1.268 586 HB3 GLU 78 1HB GLU 78 11.968 4.884 0.833 587 HG2 GLU 78 2HG GLU 78 11.962 5.471 3.269 588 HG3 GLU 78 1HG GLU 78 11.400 3.833 3.576 589 H LEU 79 H LEU 79 9.027 3.736 -0.308 590 HA LEU 79 HA LEU 79 9.604 5.150 -2.620 591 HB2 LEU 79 2HB LEU 79 8.143 2.860 -1.952 592 HB3 LEU 79 1HB LEU 79 6.988 3.892 -2.771 593 HG LEU 79 HG LEU 79 7.954 2.412 -4.388 594 HD11 LEU 79 1HD1 LEU 79 7.554 4.727 -5.108 595 HD12 LEU 79 2HD1 LEU 79 8.878 3.964 -5.987 596 HD13 LEU 79 3HD1 LEU 79 9.224 5.126 -4.707 597 HD21 LEU 79 3HD2 LEU 79 9.975 1.822 -3.171 598 HD22 LEU 79 1HD2 LEU 79 10.636 3.430 -3.463 599 HD23 LEU 79 2HD2 LEU 79 10.358 2.332 -4.815 600 H ILE 80 H ILE 80 6.836 5.408 -0.460 601 HA ILE 80 HA ILE 80 5.395 7.299 -1.975 602 HB ILE 80 HB ILE 80 5.298 6.443 0.906 603 HG12 ILE 80 2HG1 ILE 80 3.116 6.180 -1.124 604 HG13 ILE 80 1HG1 ILE 80 4.490 5.082 -1.188 605 HG21 ILE 80 1HG2 ILE 80 4.563 8.641 1.077 606 HG22 ILE 80 2HG2 ILE 80 3.078 7.707 0.893 607 HG23 ILE 80 3HG2 ILE 80 3.747 8.586 -0.482 608 HD11 ILE 80 3HD1 ILE 80 2.586 4.161 0.046 609 HD12 ILE 80 1HD1 ILE 80 2.709 5.489 1.199 610 HD13 ILE 80 2HD1 ILE 80 4.026 4.324 1.053 611 H LEU 81 H LEU 81 7.461 7.641 0.918 612 HA LEU 81 HA LEU 81 7.341 10.435 1.121 613 HB2 LEU 81 2HB LEU 81 9.608 8.598 1.902 614 HB3 LEU 81 1HB LEU 81 9.396 10.247 2.458 615 HG LEU 81 HG LEU 81 7.424 8.034 3.011 616 HD11 LEU 81 1HD1 LEU 81 9.577 7.535 4.049 617 HD12 LEU 81 2HD1 LEU 81 8.362 7.962 5.253 618 HD13 LEU 81 3HD1 LEU 81 9.592 9.136 4.788 619 HD21 LEU 81 3HD2 LEU 81 7.752 10.827 4.094 620 HD22 LEU 81 1HD2 LEU 81 6.664 9.615 4.769 621 HD23 LEU 81 2HD2 LEU 81 6.413 10.208 3.128 622 H LYS 82 H LYS 82 9.396 8.320 -0.742 623 HA LYS 82 HA LYS 82 11.358 10.045 -1.656 624 HB2 LYS 82 2HB LYS 82 11.129 7.546 -1.936 625 HB3 LYS 82 1HB LYS 82 10.095 7.927 -3.284 626 HG2 LYS 82 2HG LYS 82 12.026 9.277 -4.218 627 HG3 LYS 82 1HG LYS 82 13.018 8.460 -3.003 628 HD2 LYS 82 2HD LYS 82 11.292 7.032 -5.018 629 HD3 LYS 82 1HD LYS 82 13.012 7.361 -5.253 630 HE2 LYS 82 2HE LYS 82 13.498 6.092 -3.187 631 HE3 LYS 82 1HE LYS 82 11.783 5.719 -3.039 632 HZ1 LYS 82 3HZ LYS 82 13.637 4.839 -5.174 633 HZ2 LYS 82 1HZ LYS 82 11.959 4.651 -5.271 634 HZ3 LYS 82 2HZ LYS 82 12.831 3.873 -4.047 635 H SER 83 H SER 83 8.156 9.415 -2.898 636 HA SER 83 HA SER 83 8.281 10.799 -5.294 637 HB2 SER 83 2HB SER 83 6.407 9.350 -4.620 638 HB3 SER 83 1HB SER 83 5.911 10.552 -3.430 639 HG SER 83 HG SER 83 4.928 11.579 -4.952 640 H GLY 84 H GLY 84 7.443 12.066 -2.056 641 HA2 GLY 84 2HA GLY 84 8.551 14.372 -1.835 642 HA3 GLY 84 1HA GLY 84 7.546 14.778 -3.207 643 H ASN 85 H ASN 85 5.742 15.762 -2.759 644 HA ASN 85 HA ASN 85 4.693 15.637 -0.016 645 HB2 ASN 85 2HB ASN 85 3.444 17.712 -0.686 646 HB3 ASN 85 1HB ASN 85 5.193 17.882 -0.659 647 HD21 ASN 85 1HD2 ASN 85 6.312 18.061 -2.606 648 HD22 ASN 85 2HD2 ASN 85 5.517 18.510 -4.075 649 H LYS 86 H LYS 86 4.267 14.023 -2.655 650 HA LYS 86 HA LYS 86 1.558 13.301 -2.066 651 HB2 LYS 86 2HB LYS 86 0.848 13.607 -4.441 652 HB3 LYS 86 1HB LYS 86 0.981 15.079 -3.524 653 HG2 LYS 86 2HG LYS 86 2.792 15.816 -4.730 654 HG3 LYS 86 1HG LYS 86 3.301 14.183 -5.154 655 HD2 LYS 86 2HD LYS 86 1.295 14.015 -6.623 656 HD3 LYS 86 1HD LYS 86 0.969 15.716 -6.293 657 HE2 LYS 86 2HE LYS 86 2.166 15.372 -8.423 658 HE3 LYS 86 1HE LYS 86 3.079 16.354 -7.279 659 HZ1 LYS 86 3HZ LYS 86 4.397 14.411 -6.712 660 HZ2 LYS 86 1HZ LYS 86 4.480 14.711 -8.374 661 HZ3 LYS 86 2HZ LYS 86 3.510 13.458 -7.790 662 H VAL 87 H VAL 87 0.859 11.605 -3.754 663 HA VAL 87 HA VAL 87 2.936 10.207 -5.137 664 HB VAL 87 HB VAL 87 3.554 9.674 -2.801 665 HG11 VAL 87 1HG1 VAL 87 1.420 9.608 -1.727 666 HG12 VAL 87 2HG1 VAL 87 2.157 8.013 -1.582 667 HG13 VAL 87 3HG1 VAL 87 0.881 8.292 -2.767 668 HG21 VAL 87 3HG2 VAL 87 4.326 8.160 -4.431 669 HG22 VAL 87 1HG2 VAL 87 2.731 7.434 -4.625 670 HG23 VAL 87 2HG2 VAL 87 3.646 7.168 -3.141 671 H ALA 88 H ALA 88 2.249 8.578 -6.419 672 HA ALA 88 HA ALA 88 -0.633 8.311 -6.799 673 HB1 ALA 88 1HB ALA 88 1.670 7.343 -8.473 674 HB2 ALA 88 2HB ALA 88 0.744 8.819 -8.736 675 HB3 ALA 88 3HB ALA 88 -0.031 7.243 -8.914 676 H ILE 89 H ILE 89 -1.368 6.886 -5.256 677 HA ILE 89 HA ILE 89 0.010 4.343 -4.937 678 HB ILE 89 HB ILE 89 -0.743 5.367 -2.889 679 HG12 ILE 89 2HG1 ILE 89 -2.649 3.088 -3.319 680 HG13 ILE 89 1HG1 ILE 89 -0.908 2.828 -3.308 681 HG21 ILE 89 1HG2 ILE 89 -2.614 6.672 -3.772 682 HG22 ILE 89 2HG2 ILE 89 -3.082 5.734 -2.357 683 HG23 ILE 89 3HG2 ILE 89 -3.552 5.191 -3.966 684 HD11 ILE 89 3HD1 ILE 89 -2.169 2.473 -1.131 685 HD12 ILE 89 1HD1 ILE 89 -2.313 4.228 -1.065 686 HD13 ILE 89 2HD1 ILE 89 -0.718 3.472 -1.068 687 H SER 90 H SER 90 -0.372 2.782 -6.356 688 HA SER 90 HA SER 90 -2.880 2.730 -7.831 689 HB2 SER 90 2HB SER 90 -0.275 2.174 -8.501 690 HB3 SER 90 1HB SER 90 -0.954 0.562 -8.302 691 HG SER 90 HG SER 90 -2.601 2.233 -9.701 692 H THR 91 H THR 91 -4.544 1.856 -6.748 693 HA THR 91 HA THR 91 -4.089 -0.581 -5.180 694 HB THR 91 HB THR 91 -6.351 -0.139 -4.236 695 HG1 THR 91 1HG THR 91 -7.574 1.226 -5.278 696 HG21 THR 91 3HG2 THR 91 -4.474 2.218 -4.050 697 HG22 THR 91 1HG2 THR 91 -4.333 0.723 -3.122 698 HG23 THR 91 2HG2 THR 91 -5.724 1.782 -2.883 699 H THR 92 H THR 92 -6.125 -2.110 -5.251 700 HA THR 92 HA THR 92 -6.599 -2.594 -8.118 701 HB THR 92 HB THR 92 -5.360 -4.391 -7.168 702 HG1 THR 92 1HG THR 92 -8.111 -5.070 -7.485 703 HG21 THR 92 3HG2 THR 92 -7.517 -4.631 -5.072 704 HG22 THR 92 1HG2 THR 92 -5.881 -4.026 -4.813 705 HG23 THR 92 2HG2 THR 92 -6.136 -5.710 -5.267 706 HA PRO 93 HA PRO 93 -10.823 -1.228 -7.055 707 HB2 PRO 93 2HB PRO 93 -11.041 -1.981 -9.930 708 HB3 PRO 93 1HB PRO 93 -11.669 -0.560 -9.084 709 HG2 PRO 93 2HG PRO 93 -9.492 -0.393 -10.617 710 HG3 PRO 93 1HG PRO 93 -9.610 0.515 -9.107 711 HD2 PRO 93 2HD PRO 93 -8.020 -1.888 -9.735 712 HD3 PRO 93 1HD PRO 93 -7.678 -0.578 -8.600 713 H LEU 94 H LEU 94 -12.931 -2.232 -7.360 714 HA LEU 94 HA LEU 94 -12.965 -4.934 -6.594 715 HB2 LEU 94 2HB LEU 94 -15.512 -4.252 -7.599 716 HB3 LEU 94 1HB LEU 94 -15.002 -4.316 -5.937 717 HG LEU 94 HG LEU 94 -14.179 -1.907 -6.281 718 HD11 LEU 94 1HD1 LEU 94 -14.242 -1.503 -8.531 719 HD12 LEU 94 2HD1 LEU 94 -15.801 -0.837 -8.031 720 HD13 LEU 94 3HD1 LEU 94 -15.719 -2.442 -8.758 721 HD21 LEU 94 3HD2 LEU 94 -16.076 -2.474 -4.889 722 HD22 LEU 94 1HD2 LEU 94 -17.119 -2.561 -6.308 723 HD23 LEU 94 2HD2 LEU 94 -16.416 -1.018 -5.824 724 H GLU 95 H GLU 95 -14.060 -6.708 -7.701 725 HA GLU 95 HA GLU 95 -14.458 -6.572 -10.534 726 HB2 GLU 95 2HB GLU 95 -12.696 -7.958 -11.269 727 HB3 GLU 95 1HB GLU 95 -11.935 -6.778 -10.215 728 HG2 GLU 95 2HG GLU 95 -12.723 -9.536 -9.324 729 HG3 GLU 95 1HG GLU 95 -11.136 -9.129 -9.958 730 H ASN 96 H ASN 96 -15.006 -8.780 -11.404 731 HA ASN 96 HA ASN 96 -16.883 -10.032 -9.628 732 HB2 ASN 96 2HB ASN 96 -17.431 -11.440 -11.615 733 HB3 ASN 96 1HB ASN 96 -17.525 -9.713 -11.936 734 HD21 ASN 96 1HD2 ASN 96 -16.155 -8.789 -13.385 735 HD22 ASN 96 2HD2 ASN 96 -15.066 -9.697 -14.380 736 H1 SER 101 1HT SER 101 -4.256 -17.666 1.338 737 H2 SER 101 2HT SER 101 -2.574 -17.770 1.221 738 H3 SER 101 3HT SER 101 -3.519 -17.746 -0.179 739 HA SER 101 HA SER 101 -2.410 -15.621 0.283 740 HB2 SER 101 2HB SER 101 -5.308 -15.057 0.581 741 HB3 SER 101 1HB SER 101 -4.170 -14.488 -0.641 742 HG SER 101 HG SER 101 -4.849 -16.026 -1.897 743 H TRP 102 H TRP 102 -2.192 -13.814 1.605 744 HA TRP 102 HA TRP 102 -2.149 -12.553 3.479 745 HB2 TRP 102 2HB TRP 102 -4.575 -12.646 3.492 746 HB3 TRP 102 1HB TRP 102 -4.545 -14.209 4.299 747 HD1 TRP 102 HD TRP 102 -4.194 -14.227 6.909 748 HE1 TRP 102 1HE TRP 102 -4.170 -12.381 8.701 749 HE3 TRP 102 3HE TRP 102 -3.892 -10.147 3.853 750 HZ2 TRP 102 2HZ TRP 102 -4.048 -9.569 8.799 751 HZ3 TRP 102 3HZ TRP 102 -3.828 -7.917 4.880 752 HH2 TRP 102 HH TRP 102 -3.907 -7.632 7.298 753 H GLU 103 H GLU 103 -1.269 -12.570 5.578 754 HA GLU 103 HA GLU 103 -0.799 -15.035 6.967 755 HB2 GLU 103 2HB GLU 103 1.072 -14.355 4.998 756 HB3 GLU 103 1HB GLU 103 1.806 -13.832 6.507 757 HG2 GLU 103 2HG GLU 103 0.673 -16.586 6.129 758 HG3 GLU 103 1HG GLU 103 2.337 -16.175 5.731 759 H SER 104 H SER 104 0.743 -14.572 8.863 760 HA SER 104 HA SER 104 -0.291 -12.349 10.300 761 HB2 SER 104 2HB SER 104 1.541 -13.131 11.979 762 HB3 SER 104 1HB SER 104 0.192 -14.210 11.635 763 HG SER 104 HG SER 104 1.513 -15.353 10.202 764 H HIS 105 H HIS 105 1.237 -10.854 11.522 765 HA HIS 105 HA HIS 105 2.715 -9.366 9.589 766 HB2 HIS 105 2HB HIS 105 1.501 -8.779 12.014 767 HB3 HIS 105 1HB HIS 105 3.221 -8.616 12.358 768 HD2 HIS 105 2HD HIS 105 4.560 -6.808 10.509 769 HE1 HIS 105 1HE HIS 105 0.966 -4.683 9.841 770 HE2 HIS 105 2HE HIS 105 3.497 -4.546 9.819 771 H LYS 106 H LYS 106 4.736 -9.632 9.027 772 HA LYS 106 HA LYS 106 6.563 -11.055 10.843 773 HB2 LYS 106 2HB LYS 106 5.862 -11.505 8.073 774 HB3 LYS 106 1HB LYS 106 7.585 -11.197 8.225 775 HG2 LYS 106 2HG LYS 106 7.364 -13.515 8.392 776 HG3 LYS 106 1HG LYS 106 7.584 -12.961 10.050 777 HD2 LYS 106 2HD LYS 106 5.176 -13.089 10.420 778 HD3 LYS 106 1HD LYS 106 4.940 -13.610 8.751 779 HE2 LYS 106 2HE LYS 106 6.366 -15.584 9.215 780 HE3 LYS 106 1HE LYS 106 6.454 -15.089 10.902 781 HZ1 LYS 106 3HZ LYS 106 4.025 -15.906 9.401 782 HZ2 LYS 106 1HZ LYS 106 3.995 -15.255 10.968 783 HZ3 LYS 106 2HZ LYS 106 4.767 -16.732 10.680 784 H SER 107 H SER 107 8.836 -10.518 9.142 785 HA SER 107 HA SER 107 9.903 -8.252 10.244 786 HB2 SER 107 2HB SER 107 10.657 -9.148 7.469 787 HB3 SER 107 1HB SER 107 11.702 -8.546 8.759 788 HG SER 107 HG SER 107 11.282 -11.028 8.197 789 H GLY 108 H GLY 108 9.850 -6.126 9.880 790 HA2 GLY 108 2HA GLY 108 9.735 -4.455 7.949 791 HA3 GLY 108 1HA GLY 108 8.160 -5.181 7.661 792 H GLY 109 H GLY 109 7.328 -5.528 10.300 793 HA2 GLY 109 2HA GLY 109 6.545 -4.407 12.167 794 HA3 GLY 109 1HA GLY 109 7.532 -3.026 11.712 795 H GLU 110 H GLU 110 5.872 -1.577 12.141 796 HA GLU 110 HA GLU 110 3.847 -1.390 10.027 797 HB2 GLU 110 2HB GLU 110 3.350 -1.892 12.867 798 HB3 GLU 110 1HB GLU 110 2.516 -0.463 12.271 799 HG2 GLU 110 2HG GLU 110 2.364 -3.105 10.865 800 HG3 GLU 110 1HG GLU 110 1.270 -2.663 12.175 801 H THR 111 H THR 111 4.349 0.473 9.094 802 HA THR 111 HA THR 111 4.775 2.844 10.781 803 HB THR 111 HB THR 111 6.296 2.313 8.219 804 HG1 THR 111 1HG THR 111 6.701 1.275 10.631 805 HG21 THR 111 3HG2 THR 111 7.659 4.208 8.927 806 HG22 THR 111 1HG2 THR 111 6.675 4.390 10.379 807 HG23 THR 111 2HG2 THR 111 5.966 4.685 8.791 808 H ARG 112 H ARG 112 2.651 3.445 10.439 809 HA ARG 112 HA ARG 112 1.605 3.701 7.767 810 HB2 ARG 112 2HB ARG 112 -0.417 3.799 8.764 811 HB3 ARG 112 1HB ARG 112 0.451 3.210 10.164 812 HG2 ARG 112 2HG ARG 112 -0.478 4.942 11.218 813 HG3 ARG 112 1HG ARG 112 0.753 5.913 10.407 814 HD2 ARG 112 2HD ARG 112 -0.720 6.755 8.879 815 HD3 ARG 112 1HD ARG 112 -1.748 5.323 8.918 816 HE ARG 112 HE ARG 112 -2.265 6.270 11.305 817 HH11 ARG 112 1HH1 ARG 112 -1.834 8.087 8.329 818 HH12 ARG 112 2HH1 ARG 112 -2.973 9.323 8.800 819 HH21 ARG 112 1HH2 ARG 112 -3.743 7.899 11.899 820 HH22 ARG 112 2HH2 ARG 112 -4.030 9.236 10.817 821 H LEU 113 H LEU 113 0.971 5.654 6.772 822 HA LEU 113 HA LEU 113 2.077 8.098 7.937 823 HB2 LEU 113 2HB LEU 113 2.631 8.666 5.410 824 HB3 LEU 113 1HB LEU 113 3.785 7.875 6.460 825 HG LEU 113 HG LEU 113 3.226 5.702 5.451 826 HD11 LEU 113 1HD1 LEU 113 0.889 6.172 4.864 827 HD12 LEU 113 2HD1 LEU 113 1.809 5.552 3.495 828 HD13 LEU 113 3HD1 LEU 113 1.439 7.273 3.603 829 HD21 LEU 113 3HD2 LEU 113 3.837 7.765 3.347 830 HD22 LEU 113 1HD2 LEU 113 4.305 6.063 3.350 831 HD23 LEU 113 2HD2 LEU 113 5.005 7.172 4.529 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -11.034 -10.791 -13.256 2 H2 GLY 1 2HT GLY 1 -10.148 -11.803 -12.234 3 H3 GLY 1 3HT GLY 1 -9.411 -11.120 -13.592 4 HA2 GLY 1 1HA GLY 1 -10.331 -9.725 -11.153 5 HA3 GLY 1 2HA GLY 1 -8.674 -9.916 -11.701 6 H GLY 2 H GLY 2 -7.928 -8.685 -13.450 7 HA2 GLY 2 2HA GLY 2 -9.228 -7.086 -15.194 8 HA3 GLY 2 1HA GLY 2 -9.248 -6.138 -13.714 9 H SER 3 H SER 3 -8.007 -4.752 -15.356 10 HA SER 3 HA SER 3 -5.187 -5.050 -14.718 11 HB2 SER 3 2HB SER 3 -6.172 -4.825 -17.577 12 HB3 SER 3 1HB SER 3 -4.486 -4.721 -17.072 13 HG SER 3 HG SER 3 -5.790 -6.949 -16.129 14 H MET 4 H MET 4 -3.957 -3.068 -15.533 15 HA MET 4 HA MET 4 -3.611 -0.838 -15.444 16 HB2 MET 4 2HB MET 4 -6.092 -1.124 -16.981 17 HB3 MET 4 1HB MET 4 -5.900 0.452 -16.225 18 HG2 MET 4 2HG MET 4 -3.693 0.665 -17.285 19 HG3 MET 4 1HG MET 4 -3.944 -0.888 -18.079 20 HE1 MET 4 3HE MET 4 -5.421 2.695 -17.588 21 HE2 MET 4 1HE MET 4 -6.887 1.717 -17.539 22 HE3 MET 4 2HE MET 4 -6.598 2.803 -18.898 23 H ARG 5 H ARG 5 -3.545 -1.076 -13.117 24 HA ARG 5 HA ARG 5 -5.845 -0.438 -11.539 25 HB2 ARG 5 2HB ARG 5 -2.903 -0.571 -10.863 26 HB3 ARG 5 1HB ARG 5 -4.153 -0.219 -9.678 27 HG2 ARG 5 2HG ARG 5 -3.871 -2.470 -9.364 28 HG3 ARG 5 1HG ARG 5 -5.191 -2.458 -10.535 29 HD2 ARG 5 2HD ARG 5 -3.601 -2.820 -12.345 30 HD3 ARG 5 1HD ARG 5 -2.268 -2.797 -11.193 31 HE ARG 5 HE ARG 5 -4.016 -4.776 -10.349 32 HH11 ARG 5 1HH1 ARG 5 -2.046 -4.096 -13.160 33 HH12 ARG 5 2HH1 ARG 5 -1.782 -5.769 -13.539 34 HH21 ARG 5 1HH2 ARG 5 -3.659 -6.990 -10.839 35 HH22 ARG 5 2HH2 ARG 5 -2.695 -7.412 -12.223 36 HA PRO 6 HA PRO 6 -5.312 3.979 -12.001 37 HB2 PRO 6 2HB PRO 6 -7.455 4.492 -10.195 38 HB3 PRO 6 1HB PRO 6 -7.537 4.395 -11.956 39 HG2 PRO 6 2HG PRO 6 -8.736 2.592 -10.230 40 HG3 PRO 6 1HG PRO 6 -8.333 2.255 -11.915 41 HD2 PRO 6 2HD PRO 6 -6.823 1.592 -9.418 42 HD3 PRO 6 1HD PRO 6 -7.174 0.583 -10.835 43 HA PRO 7 HA PRO 7 -2.973 4.667 -8.145 44 HB2 PRO 7 2HB PRO 7 -1.807 6.870 -9.652 45 HB3 PRO 7 1HB PRO 7 -1.014 5.504 -8.873 46 HG2 PRO 7 2HG PRO 7 -1.179 5.722 -11.548 47 HG3 PRO 7 1HG PRO 7 -1.250 4.150 -10.732 48 HD2 PRO 7 2HD PRO 7 -3.493 5.806 -11.850 49 HD3 PRO 7 1HD PRO 7 -3.247 4.047 -11.923 50 H ILE 8 H ILE 8 -3.906 5.705 -6.588 51 HA ILE 8 HA ILE 8 -5.393 8.135 -7.050 52 HB ILE 8 HB ILE 8 -4.913 6.960 -4.344 53 HG12 ILE 8 2HG1 ILE 8 -7.184 5.922 -5.877 54 HG13 ILE 8 1HG1 ILE 8 -5.640 5.355 -6.400 55 HG21 ILE 8 1HG2 ILE 8 -7.438 7.929 -5.586 56 HG22 ILE 8 2HG2 ILE 8 -6.266 9.056 -4.903 57 HG23 ILE 8 3HG2 ILE 8 -7.027 7.837 -3.876 58 HD11 ILE 8 3HD1 ILE 8 -6.812 3.903 -4.740 59 HD12 ILE 8 1HD1 ILE 8 -6.551 5.189 -3.565 60 HD13 ILE 8 2HD1 ILE 8 -5.170 4.377 -4.301 61 H ILE 9 H ILE 9 -4.280 9.966 -7.113 62 HA ILE 9 HA ILE 9 -1.664 10.190 -5.965 63 HB ILE 9 HB ILE 9 -3.213 12.558 -6.939 64 HG12 ILE 9 2HG1 ILE 9 -3.519 10.652 -8.576 65 HG13 ILE 9 1HG1 ILE 9 -2.747 12.088 -9.230 66 HG21 ILE 9 1HG2 ILE 9 -1.029 12.978 -6.014 67 HG22 ILE 9 2HG2 ILE 9 -0.970 13.232 -7.758 68 HG23 ILE 9 3HG2 ILE 9 -0.307 11.755 -7.060 69 HD11 ILE 9 3HD1 ILE 9 -1.627 10.162 -10.073 70 HD12 ILE 9 1HD1 ILE 9 -1.412 9.515 -8.448 71 HD13 ILE 9 2HD1 ILE 9 -0.552 10.977 -8.934 72 H ILE 10 H ILE 10 -1.656 10.184 -3.744 73 HA ILE 10 HA ILE 10 -3.555 11.767 -2.236 74 HB ILE 10 HB ILE 10 -0.933 10.626 -1.206 75 HG12 ILE 10 2HG1 ILE 10 -3.397 9.243 -0.450 76 HG13 ILE 10 1HG1 ILE 10 -2.958 9.048 -2.115 77 HG21 ILE 10 1HG2 ILE 10 -2.379 10.609 0.945 78 HG22 ILE 10 2HG2 ILE 10 -3.358 11.794 0.079 79 HG23 ILE 10 3HG2 ILE 10 -1.653 12.120 0.393 80 HD11 ILE 10 3HD1 ILE 10 -0.665 8.405 -1.305 81 HD12 ILE 10 1HD1 ILE 10 -1.978 7.258 -1.025 82 HD13 ILE 10 2HD1 ILE 10 -1.412 8.288 0.288 83 H HIS 11 H HIS 11 -2.744 13.544 -0.808 84 HA HIS 11 HA HIS 11 -0.353 14.875 -1.807 85 HB2 HIS 11 2HB HIS 11 -2.293 15.808 -3.069 86 HB3 HIS 11 1HB HIS 11 -3.060 16.235 -1.545 87 HD2 HIS 11 2HD HIS 11 0.586 17.046 -2.851 88 HE1 HIS 11 1HE HIS 11 -1.349 20.574 -1.551 89 HE2 HIS 11 2HE HIS 11 0.793 19.608 -2.499 90 H ARG 12 H ARG 12 0.844 15.103 -0.066 91 HA ARG 12 HA ARG 12 -0.135 14.868 2.570 92 HB2 ARG 12 2HB ARG 12 2.252 14.511 1.596 93 HB3 ARG 12 1HB ARG 12 2.463 16.222 1.939 94 HG2 ARG 12 2HG ARG 12 2.176 15.904 4.251 95 HG3 ARG 12 1HG ARG 12 1.540 14.272 4.023 96 HD2 ARG 12 2HD ARG 12 3.686 13.512 3.223 97 HD3 ARG 12 1HD ARG 12 4.332 15.143 3.334 98 HE ARG 12 HE ARG 12 3.376 14.391 5.865 99 HH11 ARG 12 1HH1 ARG 12 5.966 13.590 3.635 100 HH12 ARG 12 2HH1 ARG 12 7.026 13.018 4.885 101 HH21 ARG 12 1HH2 ARG 12 4.779 13.628 7.501 102 HH22 ARG 12 2HH2 ARG 12 6.363 13.055 7.075 103 H ALA 13 H ALA 13 -1.614 16.289 3.237 104 HA ALA 13 HA ALA 13 -1.444 19.101 2.697 105 HB1 ALA 13 1HB ALA 13 -3.473 19.248 4.066 106 HB2 ALA 13 2HB ALA 13 -3.286 17.556 4.523 107 HB3 ALA 13 3HB ALA 13 -3.601 17.986 2.843 108 H GLY 14 H GLY 14 0.899 18.539 3.870 109 HA2 GLY 14 2HA GLY 14 2.277 19.451 5.474 110 HA3 GLY 14 1HA GLY 14 0.871 20.246 6.163 111 H LYS 15 H LYS 15 0.459 16.893 5.837 112 HA LYS 15 HA LYS 15 1.451 16.402 8.543 113 HB2 LYS 15 2HB LYS 15 -0.823 14.949 8.664 114 HB3 LYS 15 1HB LYS 15 -0.678 16.585 9.285 115 HG2 LYS 15 2HG LYS 15 -1.847 17.505 7.501 116 HG3 LYS 15 1HG LYS 15 -1.553 16.110 6.462 117 HD2 LYS 15 2HD LYS 15 -3.893 16.255 7.263 118 HD3 LYS 15 1HD LYS 15 -3.082 14.769 7.754 119 HE2 LYS 15 2HE LYS 15 -2.631 15.783 9.959 120 HE3 LYS 15 1HE LYS 15 -3.532 17.214 9.463 121 HZ1 LYS 15 3HZ LYS 15 -5.507 15.865 9.238 122 HZ2 LYS 15 1HZ LYS 15 -4.873 15.685 10.795 123 HZ3 LYS 15 2HZ LYS 15 -4.653 14.465 9.645 124 H LYS 16 H LYS 16 -0.595 14.371 6.488 125 HA LYS 16 HA LYS 16 1.619 12.710 5.671 126 HB2 LYS 16 2HB LYS 16 0.403 10.664 6.708 127 HB3 LYS 16 1HB LYS 16 1.435 11.645 7.730 128 HG2 LYS 16 2HG LYS 16 -0.912 12.895 8.123 129 HG3 LYS 16 1HG LYS 16 -1.483 11.257 7.804 130 HD2 LYS 16 2HD LYS 16 0.062 10.416 9.547 131 HD3 LYS 16 1HD LYS 16 0.529 12.082 9.898 132 HE2 LYS 16 2HE LYS 16 -1.919 12.540 10.337 133 HE3 LYS 16 1HE LYS 16 -2.166 10.795 10.268 134 HZ1 LYS 16 3HZ LYS 16 -1.877 11.576 12.536 135 HZ2 LYS 16 1HZ LYS 16 -0.356 12.210 12.151 136 HZ3 LYS 16 2HZ LYS 16 -0.619 10.539 12.096 137 H TYR 17 H TYR 17 0.516 10.550 4.693 138 HA TYR 17 HA TYR 17 -1.343 11.592 2.717 139 HB2 TYR 17 2HB TYR 17 -0.118 8.830 2.764 140 HB3 TYR 17 1HB TYR 17 -0.845 9.670 1.374 141 HD1 TYR 17 1HD TYR 17 2.110 9.487 3.572 142 HD2 TYR 17 2HD TYR 17 0.341 11.422 0.237 143 HE1 TYR 17 1HE TYR 17 4.278 10.489 3.022 144 HE2 TYR 17 2HE TYR 17 2.514 12.433 -0.341 145 HH TYR 17 HH TYR 17 4.675 12.614 0.207 146 H GLY 18 H GLY 18 -1.687 10.505 5.643 147 HA2 GLY 18 2HA GLY 18 -3.390 9.675 6.876 148 HA3 GLY 18 1HA GLY 18 -4.402 10.183 5.557 149 H PHE 19 H PHE 19 -2.062 7.534 5.734 150 HA PHE 19 HA PHE 19 -4.126 5.593 6.064 151 HB2 PHE 19 2HB PHE 19 -4.169 4.531 3.978 152 HB3 PHE 19 1HB PHE 19 -4.308 6.217 3.627 153 HD1 PHE 19 2HD PHE 19 -2.074 7.446 3.020 154 HD2 PHE 19 1HD PHE 19 -2.618 3.232 2.921 155 HE1 PHE 19 2HE PHE 19 -0.129 7.228 1.514 156 HE2 PHE 19 1HE PHE 19 -0.685 3.006 1.424 157 HZ PHE 19 HZ PHE 19 0.560 5.006 0.718 158 H THR 20 H THR 20 -3.530 3.559 6.347 159 HA THR 20 HA THR 20 -0.754 3.173 7.229 160 HB THR 20 HB THR 20 -3.260 1.558 7.718 161 HG1 THR 20 1HG THR 20 -3.206 3.608 8.768 162 HG21 THR 20 3HG2 THR 20 -0.617 1.271 9.144 163 HG22 THR 20 1HG2 THR 20 -1.109 0.231 7.807 164 HG23 THR 20 2HG2 THR 20 -2.050 0.249 9.301 165 H LEU 21 H LEU 21 0.678 2.128 5.918 166 HA LEU 21 HA LEU 21 -0.331 0.376 3.817 167 HB2 LEU 21 2HB LEU 21 1.744 2.141 3.773 168 HB3 LEU 21 1HB LEU 21 2.600 0.673 4.152 169 HG LEU 21 HG LEU 21 2.444 -0.089 2.058 170 HD11 LEU 21 1HD1 LEU 21 0.411 0.009 0.675 171 HD12 LEU 21 2HD1 LEU 21 -0.381 0.950 1.936 172 HD13 LEU 21 3HD1 LEU 21 0.116 -0.712 2.255 173 HD21 LEU 21 3HD2 LEU 21 2.257 1.601 0.355 174 HD22 LEU 21 1HD2 LEU 21 3.107 2.248 1.760 175 HD23 LEU 21 2HD2 LEU 21 1.421 2.675 1.479 176 H ARG 22 H ARG 22 -1.069 -1.351 5.091 177 HA ARG 22 HA ARG 22 0.543 -2.727 6.998 178 HB2 ARG 22 2HB ARG 22 -2.067 -2.722 6.502 179 HB3 ARG 22 1HB ARG 22 -1.651 -4.120 5.530 180 HG2 ARG 22 2HG ARG 22 -2.245 -5.033 7.570 181 HG3 ARG 22 1HG ARG 22 -0.483 -4.987 7.640 182 HD2 ARG 22 2HD ARG 22 -0.482 -3.132 9.088 183 HD3 ARG 22 1HD ARG 22 -2.175 -2.759 8.745 184 HE ARG 22 HE ARG 22 -2.324 -5.219 9.840 185 HH11 ARG 22 1HH1 ARG 22 -0.766 -2.267 10.909 186 HH12 ARG 22 2HH1 ARG 22 -0.911 -2.654 12.597 187 HH21 ARG 22 1HH2 ARG 22 -2.552 -5.709 12.042 188 HH22 ARG 22 2HH2 ARG 22 -1.963 -4.598 13.239 189 H ALA 23 H ALA 23 1.762 -4.617 6.776 190 HA ALA 23 HA ALA 23 2.397 -5.413 4.006 191 HB1 ALA 23 1HB ALA 23 4.056 -5.671 6.516 192 HB2 ALA 23 2HB ALA 23 4.323 -4.527 5.196 193 HB3 ALA 23 3HB ALA 23 4.528 -6.256 4.920 194 H ILE 24 H ILE 24 2.425 -7.597 3.444 195 HA ILE 24 HA ILE 24 1.800 -9.593 5.473 196 HB ILE 24 HB ILE 24 0.024 -10.517 3.777 197 HG12 ILE 24 2HG1 ILE 24 -0.265 -7.549 3.301 198 HG13 ILE 24 1HG1 ILE 24 0.451 -8.660 2.137 199 HG21 ILE 24 1HG2 ILE 24 -0.439 -9.961 6.092 200 HG22 ILE 24 2HG2 ILE 24 -1.752 -9.418 5.049 201 HG23 ILE 24 3HG2 ILE 24 -0.583 -8.253 5.670 202 HD11 ILE 24 3HD1 ILE 24 -1.873 -8.179 1.602 203 HD12 ILE 24 1HD1 ILE 24 -2.369 -8.780 3.184 204 HD13 ILE 24 2HD1 ILE 24 -1.654 -9.881 2.008 205 H ARG 25 H ARG 25 2.517 -11.619 4.982 206 HA ARG 25 HA ARG 25 3.980 -11.907 2.439 207 HB2 ARG 25 2HB ARG 25 4.303 -13.710 4.833 208 HB3 ARG 25 1HB ARG 25 5.413 -13.469 3.493 209 HG2 ARG 25 2HG ARG 25 5.507 -11.024 4.436 210 HG3 ARG 25 1HG ARG 25 4.973 -11.819 5.920 211 HD2 ARG 25 2HD ARG 25 7.461 -12.353 4.316 212 HD3 ARG 25 1HD ARG 25 7.341 -11.768 5.969 213 HE ARG 25 HE ARG 25 6.257 -14.421 5.428 214 HH11 ARG 25 1HH1 ARG 25 8.858 -12.473 6.735 215 HH12 ARG 25 2HH1 ARG 25 9.589 -13.795 7.588 216 HH21 ARG 25 1HH2 ARG 25 7.208 -16.170 6.558 217 HH22 ARG 25 2HH2 ARG 25 8.658 -15.900 7.478 218 H VAL 26 H VAL 26 2.339 -12.617 1.119 219 HA VAL 26 HA VAL 26 0.593 -14.762 1.941 220 HB VAL 26 HB VAL 26 -0.225 -14.637 -0.447 221 HG11 VAL 26 1HG1 VAL 26 -1.207 -12.287 -0.079 222 HG12 VAL 26 2HG1 VAL 26 -0.311 -12.311 1.440 223 HG13 VAL 26 3HG1 VAL 26 -1.547 -13.529 1.127 224 HG21 VAL 26 3HG2 VAL 26 1.866 -13.650 -1.365 225 HG22 VAL 26 1HG2 VAL 26 1.445 -12.143 -0.547 226 HG23 VAL 26 2HG2 VAL 26 0.395 -12.785 -1.811 227 H TYR 27 H TYR 27 1.211 -16.808 1.948 228 HA TYR 27 HA TYR 27 3.462 -17.695 0.345 229 HB2 TYR 27 2HB TYR 27 1.737 -19.014 2.430 230 HB3 TYR 27 1HB TYR 27 2.870 -19.944 1.460 231 HD1 TYR 27 2HD TYR 27 3.085 -16.617 3.150 232 HD2 TYR 27 1HD TYR 27 4.710 -20.525 2.729 233 HE1 TYR 27 2HE TYR 27 4.883 -16.031 4.714 234 HE2 TYR 27 1HE TYR 27 6.511 -19.953 4.303 235 HH TYR 27 HH TYR 27 7.552 -18.240 5.371 236 H MET 28 H MET 28 3.286 -18.513 -1.608 237 HA MET 28 HA MET 28 0.656 -19.048 -2.706 238 HB2 MET 28 2HB MET 28 3.392 -19.081 -3.980 239 HB3 MET 28 1HB MET 28 1.893 -19.333 -4.835 240 HG2 MET 28 2HG MET 28 2.597 -16.885 -3.350 241 HG3 MET 28 1HG MET 28 2.796 -17.084 -5.074 242 HE1 MET 28 3HE MET 28 0.684 -15.468 -2.521 243 HE2 MET 28 1HE MET 28 0.199 -17.115 -2.124 244 HE3 MET 28 2HE MET 28 -0.977 -15.990 -2.802 245 H GLY 29 H GLY 29 -0.042 -20.933 -1.792 246 HA2 GLY 29 2HA GLY 29 -0.375 -23.237 -2.189 247 HA3 GLY 29 1HA GLY 29 1.273 -23.350 -2.789 248 H ASP 30 H ASP 30 1.859 -25.062 -1.496 249 HA ASP 30 HA ASP 30 1.703 -24.685 1.406 250 HB2 ASP 30 2HB ASP 30 0.872 -26.826 0.446 251 HB3 ASP 30 1HB ASP 30 2.494 -27.157 -0.154 252 H SER 31 H SER 31 3.848 -24.389 -1.175 253 HA SER 31 HA SER 31 6.262 -25.078 0.155 254 HB2 SER 31 2HB SER 31 6.287 -23.132 -2.092 255 HB3 SER 31 1HB SER 31 7.290 -24.555 -1.826 256 HG SER 31 HG SER 31 5.257 -24.377 -3.430 257 H ASP 32 H ASP 32 8.049 -23.373 0.368 258 HA ASP 32 HA ASP 32 7.098 -21.398 2.233 259 HB2 ASP 32 2HB ASP 32 9.311 -21.149 2.918 260 HB3 ASP 32 1HB ASP 32 9.216 -22.837 2.437 261 H VAL 33 H VAL 33 6.935 -21.187 -0.931 262 HA VAL 33 HA VAL 33 8.266 -18.688 -1.389 263 HB VAL 33 HB VAL 33 8.048 -20.120 -3.292 264 HG11 VAL 33 1HG1 VAL 33 5.915 -20.792 -4.240 265 HG12 VAL 33 2HG1 VAL 33 5.059 -19.970 -2.937 266 HG13 VAL 33 3HG1 VAL 33 6.065 -21.371 -2.584 267 HG21 VAL 33 3HG2 VAL 33 6.125 -17.828 -3.633 268 HG22 VAL 33 1HG2 VAL 33 7.048 -18.629 -4.904 269 HG23 VAL 33 2HG2 VAL 33 7.882 -17.688 -3.667 270 H TYR 34 H TYR 34 7.490 -16.738 -1.127 271 HA TYR 34 HA TYR 34 4.613 -16.324 -0.842 272 HB2 TYR 34 2HB TYR 34 4.911 -14.987 1.203 273 HB3 TYR 34 1HB TYR 34 5.396 -16.660 1.447 274 HD1 TYR 34 2HD TYR 34 7.788 -17.233 1.701 275 HD2 TYR 34 1HD TYR 34 6.512 -13.189 1.345 276 HE1 TYR 34 2HE TYR 34 9.976 -16.473 2.531 277 HE2 TYR 34 1HE TYR 34 8.697 -12.423 2.170 278 HH TYR 34 HH TYR 34 11.374 -14.155 2.199 279 H THR 35 H THR 35 3.904 -14.242 -1.367 280 HA THR 35 HA THR 35 5.992 -12.571 -2.613 281 HB THR 35 HB THR 35 3.233 -11.844 -3.231 282 HG1 THR 35 1HG THR 35 4.124 -14.479 -3.575 283 HG21 THR 35 3HG2 THR 35 4.108 -11.817 -5.518 284 HG22 THR 35 1HG2 THR 35 5.598 -12.580 -4.960 285 HG23 THR 35 2HG2 THR 35 5.182 -10.955 -4.417 286 H VAL 36 H VAL 36 6.291 -10.538 -1.909 287 HA VAL 36 HA VAL 36 4.920 -9.789 0.533 288 HB VAL 36 HB VAL 36 7.036 -8.151 -0.851 289 HG11 VAL 36 1HG1 VAL 36 7.469 -7.355 1.433 290 HG12 VAL 36 2HG1 VAL 36 6.162 -8.377 2.031 291 HG13 VAL 36 3HG1 VAL 36 5.805 -7.041 0.937 292 HG21 VAL 36 3HG2 VAL 36 7.880 -10.434 -0.567 293 HG22 VAL 36 1HG2 VAL 36 7.457 -10.374 1.143 294 HG23 VAL 36 2HG2 VAL 36 8.700 -9.298 0.506 295 H HIS 37 H HIS 37 3.008 -8.860 0.343 296 HA HIS 37 HA HIS 37 2.675 -6.745 -1.685 297 HB2 HIS 37 2HB HIS 37 0.601 -8.644 -0.556 298 HB3 HIS 37 1HB HIS 37 0.205 -7.220 -1.504 299 HD2 HIS 37 2HD HIS 37 0.866 -10.863 -2.013 300 HE1 HIS 37 1HE HIS 37 1.555 -8.990 -5.743 301 HE2 HIS 37 2HE HIS 37 1.030 -11.179 -4.582 302 H HIS 38 H HIS 38 0.691 -5.320 -0.895 303 HA HIS 38 HA HIS 38 0.772 -4.847 1.971 304 HB2 HIS 38 2HB HIS 38 1.569 -2.722 -0.040 305 HB3 HIS 38 1HB HIS 38 1.302 -2.445 1.677 306 HD2 HIS 38 2HD HIS 38 4.100 -3.263 -0.693 307 HE1 HIS 38 1HE HIS 38 5.441 -4.339 3.165 308 HE2 HIS 38 2HE HIS 38 6.049 -4.256 0.710 309 H MET 39 H MET 39 -0.928 -3.465 2.673 310 HA MET 39 HA MET 39 -2.955 -2.741 0.702 311 HB2 MET 39 2HB MET 39 -3.505 -4.622 3.010 312 HB3 MET 39 1HB MET 39 -4.743 -3.872 2.019 313 HG2 MET 39 2HG MET 39 -3.337 -5.046 0.090 314 HG3 MET 39 1HG MET 39 -2.930 -6.126 1.420 315 HE1 MET 39 3HE MET 39 -6.440 -7.407 2.548 316 HE2 MET 39 1HE MET 39 -5.466 -6.097 3.211 317 HE3 MET 39 2HE MET 39 -4.698 -7.609 2.731 318 H VAL 40 H VAL 40 -4.323 -1.127 1.407 319 HA VAL 40 HA VAL 40 -3.333 0.429 3.583 320 HB VAL 40 HB VAL 40 -4.162 1.633 1.699 321 HG11 VAL 40 1HG1 VAL 40 -6.776 0.211 2.158 322 HG12 VAL 40 2HG1 VAL 40 -5.698 0.042 0.772 323 HG13 VAL 40 3HG1 VAL 40 -6.549 1.561 1.048 324 HG21 VAL 40 3HG2 VAL 40 -6.295 2.055 3.766 325 HG22 VAL 40 1HG2 VAL 40 -5.444 3.249 2.785 326 HG23 VAL 40 2HG2 VAL 40 -4.607 2.428 4.105 327 H TRP 41 H TRP 41 -3.602 -0.343 5.506 328 HA TRP 41 HA TRP 41 -5.771 -1.965 6.364 329 HB2 TRP 41 2HB TRP 41 -3.310 -1.668 7.250 330 HB3 TRP 41 1HB TRP 41 -4.068 -0.481 8.297 331 HD1 TRP 41 HD TRP 41 -4.310 -1.579 10.568 332 HE1 TRP 41 1HE TRP 41 -5.227 -3.811 11.443 333 HE3 TRP 41 3HE TRP 41 -5.295 -3.856 6.099 334 HZ2 TRP 41 2HZ TRP 41 -6.247 -6.229 10.367 335 HZ3 TRP 41 3HZ TRP 41 -6.249 -6.122 6.110 336 HH2 TRP 41 HH TRP 41 -6.713 -7.281 8.204 337 H HIS 42 H HIS 42 -4.922 1.380 6.766 338 HA HIS 42 HA HIS 42 -7.669 2.051 7.435 339 HB2 HIS 42 2HB HIS 42 -6.213 1.469 9.537 340 HB3 HIS 42 1HB HIS 42 -5.533 3.060 9.272 341 HD2 HIS 42 2HD HIS 42 -7.358 5.210 9.552 342 HE1 HIS 42 1HE HIS 42 -10.154 2.865 11.694 343 HE2 HIS 42 2HE HIS 42 -9.348 5.222 11.215 344 H VAL 43 H VAL 43 -8.137 3.836 6.374 345 HA VAL 43 HA VAL 43 -5.965 5.738 5.877 346 HB VAL 43 HB VAL 43 -6.420 4.695 3.780 347 HG11 VAL 43 1HG1 VAL 43 -8.545 3.742 4.136 348 HG12 VAL 43 2HG1 VAL 43 -8.665 4.829 2.752 349 HG13 VAL 43 3HG1 VAL 43 -9.288 5.329 4.325 350 HG21 VAL 43 3HG2 VAL 43 -6.029 7.100 3.720 351 HG22 VAL 43 1HG2 VAL 43 -7.769 7.382 3.849 352 HG23 VAL 43 2HG2 VAL 43 -7.113 6.584 2.420 353 H GLU 44 H GLU 44 -6.258 7.646 6.594 354 HA GLU 44 HA GLU 44 -8.487 8.382 8.149 355 HB2 GLU 44 2HB GLU 44 -6.074 9.874 7.134 356 HB3 GLU 44 1HB GLU 44 -7.261 10.582 8.202 357 HG2 GLU 44 2HG GLU 44 -6.765 8.974 9.920 358 HG3 GLU 44 1HG GLU 44 -5.670 8.120 8.836 359 H ASP 45 H ASP 45 -10.342 9.162 7.485 360 HA ASP 45 HA ASP 45 -10.669 10.126 4.772 361 HB2 ASP 45 2HB ASP 45 -13.080 10.168 5.317 362 HB3 ASP 45 1HB ASP 45 -12.350 8.601 5.646 363 H GLY 46 H GLY 46 -9.176 11.667 6.821 364 HA2 GLY 46 2HA GLY 46 -10.820 13.974 7.364 365 HA3 GLY 46 1HA GLY 46 -9.121 13.785 7.757 366 H GLY 47 H GLY 47 -8.631 12.996 4.836 367 HA2 GLY 47 2HA GLY 47 -9.340 15.036 3.125 368 HA3 GLY 47 1HA GLY 47 -7.953 15.633 4.007 369 HA PRO 48 HA PRO 48 -4.895 13.461 1.652 370 HB2 PRO 48 2HB PRO 48 -4.757 11.179 3.570 371 HB3 PRO 48 1HB PRO 48 -3.448 12.128 2.851 372 HG2 PRO 48 2HG PRO 48 -4.147 12.605 5.322 373 HG3 PRO 48 1HG PRO 48 -3.920 13.982 4.223 374 HD2 PRO 48 2HD PRO 48 -6.467 12.683 5.126 375 HD3 PRO 48 1HD PRO 48 -6.061 14.404 4.999 376 H ALA 49 H ALA 49 -4.565 10.380 2.084 377 HA ALA 49 HA ALA 49 -5.244 9.507 -0.376 378 HB1 ALA 49 1HB ALA 49 -4.181 7.713 0.328 379 HB2 ALA 49 2HB ALA 49 -5.509 7.289 1.415 380 HB3 ALA 49 3HB ALA 49 -4.216 8.355 1.977 381 H SER 50 H SER 50 -7.454 9.431 2.414 382 HA SER 50 HA SER 50 -9.369 7.735 1.266 383 HB2 SER 50 2HB SER 50 -9.234 9.559 3.536 384 HB3 SER 50 1HB SER 50 -10.847 9.403 2.852 385 HG SER 50 HG SER 50 -10.523 7.085 3.008 386 H GLU 51 H GLU 51 -9.522 11.286 1.509 387 HA GLU 51 HA GLU 51 -11.826 11.549 -0.087 388 HB2 GLU 51 2HB GLU 51 -9.647 13.524 0.568 389 HB3 GLU 51 1HB GLU 51 -11.115 13.944 -0.303 390 HG2 GLU 51 2HG GLU 51 -11.346 12.584 2.328 391 HG3 GLU 51 1HG GLU 51 -10.938 14.297 2.279 392 H ALA 52 H ALA 52 -8.453 11.396 -0.830 393 HA ALA 52 HA ALA 52 -8.476 12.313 -3.468 394 HB1 ALA 52 1HB ALA 52 -6.413 10.892 -3.691 395 HB2 ALA 52 2HB ALA 52 -6.722 10.326 -2.047 396 HB3 ALA 52 3HB ALA 52 -6.404 12.034 -2.348 397 H GLY 53 H GLY 53 -9.437 9.258 -2.063 398 HA2 GLY 53 2HA GLY 53 -11.180 8.232 -3.642 399 HA3 GLY 53 1HA GLY 53 -9.826 8.151 -4.754 400 H LEU 54 H LEU 54 -8.249 7.618 -2.046 401 HA LEU 54 HA LEU 54 -8.093 4.819 -2.476 402 HB2 LEU 54 2HB LEU 54 -6.380 6.551 -1.410 403 HB3 LEU 54 1HB LEU 54 -7.085 5.950 0.074 404 HG LEU 54 HG LEU 54 -5.659 4.347 -2.039 405 HD11 LEU 54 1HD1 LEU 54 -4.143 5.573 -0.613 406 HD12 LEU 54 2HD1 LEU 54 -4.099 3.860 -0.190 407 HD13 LEU 54 3HD1 LEU 54 -4.986 4.995 0.825 408 HD21 LEU 54 3HD2 LEU 54 -6.948 3.399 0.491 409 HD22 LEU 54 1HD2 LEU 54 -5.979 2.426 -0.617 410 HD23 LEU 54 2HD2 LEU 54 -7.524 3.093 -1.145 411 H ARG 55 H ARG 55 -9.452 3.381 -1.872 412 HA ARG 55 HA ARG 55 -11.246 3.904 0.370 413 HB2 ARG 55 2HB ARG 55 -12.524 1.968 -0.435 414 HB3 ARG 55 1HB ARG 55 -12.298 3.164 -1.701 415 HG2 ARG 55 2HG ARG 55 -11.680 1.447 -2.974 416 HG3 ARG 55 1HG ARG 55 -10.161 1.496 -2.081 417 HD2 ARG 55 2HD ARG 55 -10.858 -0.743 -1.972 418 HD3 ARG 55 1HD ARG 55 -11.280 -0.054 -0.403 419 HE ARG 55 HE ARG 55 -13.256 -0.331 -2.575 420 HH11 ARG 55 1HH1 ARG 55 -12.306 -0.796 0.774 421 HH12 ARG 55 2HH1 ARG 55 -13.843 -1.455 1.240 422 HH21 ARG 55 1HH2 ARG 55 -15.271 -1.158 -1.954 423 HH22 ARG 55 2HH2 ARG 55 -15.532 -1.660 -0.314 424 H GLN 56 H GLN 56 -10.881 3.044 2.316 425 HA GLN 56 HA GLN 56 -8.674 1.578 3.041 426 HB2 GLN 56 2HB GLN 56 -10.308 2.738 4.548 427 HB3 GLN 56 1HB GLN 56 -11.357 1.357 4.387 428 HG2 GLN 56 2HG GLN 56 -9.848 0.003 5.489 429 HG3 GLN 56 1HG GLN 56 -8.548 1.171 5.384 430 HE21 GLN 56 1HE2 GLN 56 -9.766 -0.183 7.697 431 HE22 GLN 56 2HE2 GLN 56 -10.289 1.083 8.756 432 H GLY 57 H GLY 57 -8.146 -0.555 3.241 433 HA2 GLY 57 2HA GLY 57 -8.476 -2.869 3.206 434 HA3 GLY 57 1HA GLY 57 -10.128 -2.606 2.675 435 H ASP 58 H ASP 58 -7.966 -0.803 0.850 436 HA ASP 58 HA ASP 58 -8.305 -2.566 -1.442 437 HB2 ASP 58 2HB ASP 58 -8.427 0.114 -1.246 438 HB3 ASP 58 1HB ASP 58 -6.732 -0.064 -1.681 439 H LEU 59 H LEU 59 -6.623 -3.355 -2.695 440 HA LEU 59 HA LEU 59 -4.141 -3.794 -1.213 441 HB2 LEU 59 2HB LEU 59 -5.065 -5.845 -1.926 442 HB3 LEU 59 1HB LEU 59 -5.463 -5.208 -3.510 443 HG LEU 59 HG LEU 59 -2.895 -5.012 -3.826 444 HD11 LEU 59 1HD1 LEU 59 -2.233 -5.454 -1.541 445 HD12 LEU 59 2HD1 LEU 59 -1.629 -6.729 -2.600 446 HD13 LEU 59 3HD1 LEU 59 -3.039 -7.023 -1.584 447 HD21 LEU 59 3HD2 LEU 59 -2.801 -7.354 -4.602 448 HD22 LEU 59 1HD2 LEU 59 -4.258 -6.509 -5.120 449 HD23 LEU 59 2HD2 LEU 59 -4.334 -7.656 -3.783 450 H ILE 60 H ILE 60 -2.271 -2.914 -1.813 451 HA ILE 60 HA ILE 60 -2.299 -1.077 -4.064 452 HB ILE 60 HB ILE 60 -0.230 -1.557 -1.912 453 HG12 ILE 60 2HG1 ILE 60 -0.861 0.892 -1.424 454 HG13 ILE 60 1HG1 ILE 60 -2.274 0.592 -2.421 455 HG21 ILE 60 1HG2 ILE 60 0.923 0.425 -2.805 456 HG22 ILE 60 2HG2 ILE 60 -0.215 0.465 -4.153 457 HG23 ILE 60 3HG2 ILE 60 0.888 -0.901 -3.969 458 HD11 ILE 60 3HD1 ILE 60 -1.555 -0.902 0.086 459 HD12 ILE 60 1HD1 ILE 60 -2.991 -1.163 -0.903 460 HD13 ILE 60 2HD1 ILE 60 -2.772 0.368 -0.052 461 H THR 61 H THR 61 -1.463 -1.521 -5.977 462 HA THR 61 HA THR 61 0.127 -3.971 -6.268 463 HB THR 61 HB THR 61 -0.509 -3.965 -8.601 464 HG1 THR 61 1HG THR 61 -0.625 -1.875 -9.234 465 HG21 THR 61 3HG2 THR 61 -2.939 -3.304 -6.929 466 HG22 THR 61 1HG2 THR 61 -2.128 -4.870 -6.949 467 HG23 THR 61 2HG2 THR 61 -2.903 -4.263 -8.413 468 H HIS 62 H HIS 62 0.085 -0.530 -7.002 469 HA HIS 62 HA HIS 62 2.977 -0.609 -7.471 470 HB2 HIS 62 2HB HIS 62 0.964 0.711 -9.303 471 HB3 HIS 62 1HB HIS 62 2.699 0.958 -9.394 472 HD2 HIS 62 2HD HIS 62 4.151 -1.139 -10.516 473 HE1 HIS 62 1HE HIS 62 0.736 -3.361 -11.661 474 HE2 HIS 62 2HE HIS 62 3.230 -3.052 -12.009 475 H VAL 63 H VAL 63 3.986 1.487 -7.263 476 HA VAL 63 HA VAL 63 2.342 3.574 -6.069 477 HB VAL 63 HB VAL 63 3.196 2.366 -4.156 478 HG11 VAL 63 1HG1 VAL 63 5.151 1.322 -5.176 479 HG12 VAL 63 2HG1 VAL 63 5.564 2.150 -3.675 480 HG13 VAL 63 3HG1 VAL 63 5.959 2.890 -5.227 481 HG21 VAL 63 3HG2 VAL 63 4.540 4.248 -3.113 482 HG22 VAL 63 1HG2 VAL 63 2.964 4.675 -3.784 483 HG23 VAL 63 2HG2 VAL 63 4.434 5.048 -4.682 484 H ASN 64 H ASN 64 2.619 5.230 -7.347 485 HA ASN 64 HA ASN 64 3.565 6.877 -8.601 486 HB2 ASN 64 2HB ASN 64 5.200 6.563 -6.397 487 HB3 ASN 64 1HB ASN 64 6.325 6.497 -7.748 488 HD21 ASN 64 1HD2 ASN 64 7.204 8.482 -7.039 489 HD22 ASN 64 2HD2 ASN 64 6.389 9.982 -7.325 490 H GLY 65 H GLY 65 3.569 4.079 -9.534 491 HA2 GLY 65 2HA GLY 65 4.140 3.159 -11.586 492 HA3 GLY 65 1HA GLY 65 5.253 4.493 -11.830 493 H GLU 66 H GLU 66 5.104 2.224 -9.167 494 HA GLU 66 HA GLU 66 7.430 0.801 -10.038 495 HB2 GLU 66 2HB GLU 66 7.809 2.994 -8.534 496 HB3 GLU 66 1HB GLU 66 7.529 1.818 -7.262 497 HG2 GLU 66 2HG GLU 66 9.917 2.125 -7.789 498 HG3 GLU 66 1HG GLU 66 9.360 0.468 -8.009 499 HA PRO 67 HA PRO 67 4.535 -2.257 -8.412 500 HB2 PRO 67 2HB PRO 67 6.560 -4.226 -8.609 501 HB3 PRO 67 1HB PRO 67 5.258 -3.916 -9.761 502 HG2 PRO 67 2HG PRO 67 8.089 -3.071 -9.837 503 HG3 PRO 67 1HG PRO 67 6.964 -3.362 -11.172 504 HD2 PRO 67 2HD PRO 67 7.695 -0.883 -10.397 505 HD3 PRO 67 1HD PRO 67 6.106 -1.215 -11.077 506 H VAL 68 H VAL 68 4.192 -2.810 -6.454 507 HA VAL 68 HA VAL 68 6.191 -2.272 -4.410 508 HB VAL 68 HB VAL 68 4.379 -2.509 -2.783 509 HG11 VAL 68 1HG1 VAL 68 3.693 -0.747 -5.134 510 HG12 VAL 68 2HG1 VAL 68 4.691 -0.322 -3.741 511 HG13 VAL 68 3HG1 VAL 68 2.965 -0.613 -3.532 512 HG21 VAL 68 3HG2 VAL 68 3.110 -4.263 -3.917 513 HG22 VAL 68 1HG2 VAL 68 2.620 -3.108 -5.156 514 HG23 VAL 68 2HG2 VAL 68 2.079 -2.897 -3.490 515 H HIS 69 H HIS 69 5.128 -4.684 -6.235 516 HA HIS 69 HA HIS 69 4.917 -6.942 -4.695 517 HB2 HIS 69 2HB HIS 69 5.747 -6.331 -7.510 518 HB3 HIS 69 1HB HIS 69 5.671 -7.954 -6.918 519 HD2 HIS 69 2HD HIS 69 2.930 -5.406 -5.940 520 HE1 HIS 69 1HE HIS 69 1.275 -8.231 -8.624 521 HE2 HIS 69 2HE HIS 69 0.756 -6.437 -6.908 522 H GLY 70 H GLY 70 6.481 -7.109 -3.084 523 HA2 GLY 70 2HA GLY 70 8.491 -8.443 -2.693 524 HA3 GLY 70 1HA GLY 70 9.215 -7.637 -4.076 525 H LEU 71 H LEU 71 7.703 -5.158 -2.812 526 HA LEU 71 HA LEU 71 10.045 -4.131 -1.503 527 HB2 LEU 71 2HB LEU 71 7.261 -3.002 -1.830 528 HB3 LEU 71 1HB LEU 71 8.566 -2.146 -1.038 529 HG LEU 71 HG LEU 71 8.349 -2.878 -3.952 530 HD11 LEU 71 1HD1 LEU 71 8.523 -0.448 -4.248 531 HD12 LEU 71 2HD1 LEU 71 8.580 -0.244 -2.495 532 HD13 LEU 71 3HD1 LEU 71 7.131 -0.891 -3.259 533 HD21 LEU 71 3HD2 LEU 71 10.633 -3.295 -3.331 534 HD22 LEU 71 1HD2 LEU 71 10.715 -1.774 -2.443 535 HD23 LEU 71 2HD2 LEU 71 10.555 -1.763 -4.200 536 H VAL 72 H VAL 72 10.398 -3.862 0.661 537 HA VAL 72 HA VAL 72 8.752 -5.417 2.435 538 HB VAL 72 HB VAL 72 11.357 -4.982 2.480 539 HG11 VAL 72 1HG1 VAL 72 10.530 -2.932 4.503 540 HG12 VAL 72 2HG1 VAL 72 10.945 -2.494 2.848 541 HG13 VAL 72 3HG1 VAL 72 12.142 -3.282 3.877 542 HG21 VAL 72 3HG2 VAL 72 9.956 -6.446 3.981 543 HG22 VAL 72 1HG2 VAL 72 9.888 -5.086 5.102 544 HG23 VAL 72 2HG2 VAL 72 11.441 -5.813 4.690 545 H HIS 73 H HIS 73 8.056 -4.425 4.569 546 HA HIS 73 HA HIS 73 5.978 -2.698 4.337 547 HB2 HIS 73 2HB HIS 73 6.721 -4.066 6.348 548 HB3 HIS 73 1HB HIS 73 7.777 -2.736 6.746 549 HD1 HIS 73 1HD HIS 73 4.056 -3.436 6.375 550 HD2 HIS 73 2HD HIS 73 6.656 -0.704 8.108 551 HE1 HIS 73 1HE HIS 73 2.649 -1.966 7.863 552 H THR 74 H THR 74 9.272 -1.812 5.178 553 HA THR 74 HA THR 74 8.623 0.961 5.473 554 HB THR 74 HB THR 74 10.889 1.228 6.153 555 HG1 THR 74 1HG THR 74 12.463 -0.307 5.699 556 HG21 THR 74 3HG2 THR 74 9.696 0.153 7.864 557 HG22 THR 74 1HG2 THR 74 11.149 -0.834 7.686 558 HG23 THR 74 2HG2 THR 74 9.617 -1.375 6.980 559 H GLU 75 H GLU 75 9.658 -1.042 2.863 560 HA GLU 75 HA GLU 75 10.996 0.970 1.375 561 HB2 GLU 75 2HB GLU 75 9.980 -1.765 0.793 562 HB3 GLU 75 1HB GLU 75 10.373 -0.698 -0.547 563 HG2 GLU 75 2HG GLU 75 12.628 -0.401 0.350 564 HG3 GLU 75 1HG GLU 75 12.233 -1.496 1.673 565 H VAL 76 H VAL 76 7.641 -0.218 1.420 566 HA VAL 76 HA VAL 76 6.819 1.343 -0.799 567 HB VAL 76 HB VAL 76 4.497 1.130 0.189 568 HG11 VAL 76 1HG1 VAL 76 6.063 -1.390 -0.272 569 HG12 VAL 76 2HG1 VAL 76 5.385 -0.350 -1.525 570 HG13 VAL 76 3HG1 VAL 76 4.316 -1.210 -0.419 571 HG21 VAL 76 3HG2 VAL 76 6.041 0.041 2.413 572 HG22 VAL 76 1HG2 VAL 76 4.718 -1.000 1.885 573 HG23 VAL 76 2HG2 VAL 76 4.383 0.665 2.379 574 H VAL 77 H VAL 77 6.690 1.876 2.680 575 HA VAL 77 HA VAL 77 5.586 4.394 2.785 576 HB VAL 77 HB VAL 77 7.788 3.288 4.500 577 HG11 VAL 77 1HG1 VAL 77 7.242 5.816 4.562 578 HG12 VAL 77 2HG1 VAL 77 7.381 4.929 6.079 579 HG13 VAL 77 3HG1 VAL 77 5.790 5.301 5.417 580 HG21 VAL 77 3HG2 VAL 77 6.291 2.055 5.633 581 HG22 VAL 77 1HG2 VAL 77 5.307 2.217 4.175 582 HG23 VAL 77 2HG2 VAL 77 5.052 3.307 5.539 583 H GLU 78 H GLU 78 8.990 3.476 2.413 584 HA GLU 78 HA GLU 78 10.000 6.099 2.245 585 HB2 GLU 78 2HB GLU 78 11.041 3.413 1.472 586 HB3 GLU 78 1HB GLU 78 11.897 4.858 0.948 587 HG2 GLU 78 2HG GLU 78 11.694 5.534 3.450 588 HG3 GLU 78 1HG GLU 78 11.467 3.803 3.677 589 H LEU 79 H LEU 79 9.022 3.773 -0.228 590 HA LEU 79 HA LEU 79 9.663 5.193 -2.517 591 HB2 LEU 79 2HB LEU 79 8.166 2.904 -1.907 592 HB3 LEU 79 1HB LEU 79 7.054 3.946 -2.770 593 HG LEU 79 HG LEU 79 8.054 2.499 -4.377 594 HD11 LEU 79 1HD1 LEU 79 9.158 4.036 -5.881 595 HD12 LEU 79 2HD1 LEU 79 9.456 5.159 -4.554 596 HD13 LEU 79 3HD1 LEU 79 7.804 4.832 -5.077 597 HD21 LEU 79 3HD2 LEU 79 10.463 2.287 -4.667 598 HD22 LEU 79 1HD2 LEU 79 9.981 1.801 -3.042 599 HD23 LEU 79 2HD2 LEU 79 10.735 3.373 -3.303 600 H ILE 80 H ILE 80 6.808 5.441 -0.452 601 HA ILE 80 HA ILE 80 5.444 7.357 -2.016 602 HB ILE 80 HB ILE 80 5.227 6.415 0.824 603 HG12 ILE 80 2HG1 ILE 80 3.067 6.392 -1.240 604 HG13 ILE 80 1HG1 ILE 80 4.388 5.239 -1.370 605 HG21 ILE 80 1HG2 ILE 80 4.599 8.623 1.138 606 HG22 ILE 80 2HG2 ILE 80 3.069 7.800 0.824 607 HG23 ILE 80 3HG2 ILE 80 3.850 8.734 -0.453 608 HD11 ILE 80 3HD1 ILE 80 2.566 4.214 -0.230 609 HD12 ILE 80 1HD1 ILE 80 2.477 5.551 0.916 610 HD13 ILE 80 2HD1 ILE 80 3.877 4.480 0.922 611 H LEU 81 H LEU 81 7.387 7.659 0.950 612 HA LEU 81 HA LEU 81 7.289 10.453 1.152 613 HB2 LEU 81 2HB LEU 81 9.461 8.559 2.062 614 HB3 LEU 81 1HB LEU 81 9.301 10.225 2.573 615 HG LEU 81 HG LEU 81 7.269 8.067 3.118 616 HD11 LEU 81 1HD1 LEU 81 9.334 7.670 4.342 617 HD12 LEU 81 2HD1 LEU 81 8.048 8.201 5.428 618 HD13 LEU 81 3HD1 LEU 81 9.311 9.329 4.940 619 HD21 LEU 81 3HD2 LEU 81 6.182 10.174 3.021 620 HD22 LEU 81 1HD2 LEU 81 7.469 10.951 3.938 621 HD23 LEU 81 2HD2 LEU 81 6.405 9.788 4.728 622 H LYS 82 H LYS 82 9.331 8.334 -0.706 623 HA LYS 82 HA LYS 82 11.371 10.073 -1.465 624 HB2 LYS 82 2HB LYS 82 11.117 7.553 -1.795 625 HB3 LYS 82 1HB LYS 82 10.237 7.998 -3.231 626 HG2 LYS 82 2HG LYS 82 12.382 9.424 -3.731 627 HG3 LYS 82 1HG LYS 82 13.128 8.240 -2.654 628 HD2 LYS 82 2HD LYS 82 11.435 7.478 -5.026 629 HD3 LYS 82 1HD LYS 82 13.185 7.681 -5.117 630 HE2 LYS 82 2HE LYS 82 12.061 5.901 -3.011 631 HE3 LYS 82 1HE LYS 82 12.106 5.320 -4.675 632 HZ1 LYS 82 3HZ LYS 82 14.420 6.251 -3.071 633 HZ2 LYS 82 1HZ LYS 82 14.497 5.820 -4.706 634 HZ3 LYS 82 2HZ LYS 82 14.095 4.661 -3.542 635 H SER 83 H SER 83 8.220 9.466 -2.834 636 HA SER 83 HA SER 83 8.446 10.834 -5.234 637 HB2 SER 83 2HB SER 83 6.542 9.394 -4.643 638 HB3 SER 83 1HB SER 83 6.009 10.586 -3.458 639 HG SER 83 HG SER 83 5.078 11.633 -4.998 640 H GLY 84 H GLY 84 7.223 12.114 -2.114 641 HA2 GLY 84 2HA GLY 84 8.373 14.391 -1.726 642 HA3 GLY 84 1HA GLY 84 7.584 14.809 -3.238 643 H ASN 85 H ASN 85 6.085 16.238 -2.701 644 HA ASN 85 HA ASN 85 4.632 16.160 -0.243 645 HB2 ASN 85 2HB ASN 85 3.392 18.074 -1.159 646 HB3 ASN 85 1HB ASN 85 5.129 18.283 -1.321 647 HD21 ASN 85 1HD2 ASN 85 6.064 18.246 -3.354 648 HD22 ASN 85 2HD2 ASN 85 5.131 18.379 -4.805 649 H LYS 86 H LYS 86 4.304 14.310 -2.927 650 HA LYS 86 HA LYS 86 1.687 13.425 -2.168 651 HB2 LYS 86 2HB LYS 86 0.833 13.684 -4.489 652 HB3 LYS 86 1HB LYS 86 0.974 15.166 -3.595 653 HG2 LYS 86 2HG LYS 86 2.871 15.846 -4.813 654 HG3 LYS 86 1HG LYS 86 3.096 14.234 -5.495 655 HD2 LYS 86 2HD LYS 86 0.969 14.481 -6.715 656 HD3 LYS 86 1HD LYS 86 0.812 16.119 -6.075 657 HE2 LYS 86 2HE LYS 86 1.710 16.151 -8.335 658 HE3 LYS 86 1HE LYS 86 2.897 16.752 -7.179 659 HZ1 LYS 86 3HZ LYS 86 4.068 14.703 -7.279 660 HZ2 LYS 86 1HZ LYS 86 3.801 15.205 -8.872 661 HZ3 LYS 86 2HZ LYS 86 2.859 13.969 -8.207 662 H VAL 87 H VAL 87 0.972 11.697 -3.835 663 HA VAL 87 HA VAL 87 3.051 10.312 -5.245 664 HB VAL 87 HB VAL 87 3.715 9.805 -2.924 665 HG11 VAL 87 1HG1 VAL 87 1.020 8.472 -2.780 666 HG12 VAL 87 2HG1 VAL 87 1.598 9.828 -1.811 667 HG13 VAL 87 3HG1 VAL 87 2.314 8.229 -1.607 668 HG21 VAL 87 3HG2 VAL 87 4.416 8.232 -4.529 669 HG22 VAL 87 1HG2 VAL 87 2.805 7.525 -4.652 670 HG23 VAL 87 2HG2 VAL 87 3.762 7.291 -3.189 671 H ALA 88 H ALA 88 2.340 8.586 -6.459 672 HA ALA 88 HA ALA 88 -0.560 8.364 -6.779 673 HB1 ALA 88 1HB ALA 88 0.715 8.845 -8.778 674 HB2 ALA 88 2HB ALA 88 -0.022 7.245 -8.901 675 HB3 ALA 88 3HB ALA 88 1.692 7.401 -8.527 676 H ILE 89 H ILE 89 -1.267 6.946 -5.217 677 HA ILE 89 HA ILE 89 0.101 4.389 -4.937 678 HB ILE 89 HB ILE 89 -0.583 5.349 -2.860 679 HG12 ILE 89 2HG1 ILE 89 -2.669 3.244 -3.283 680 HG13 ILE 89 1HG1 ILE 89 -0.958 2.836 -3.376 681 HG21 ILE 89 1HG2 ILE 89 -2.336 6.835 -3.569 682 HG22 ILE 89 2HG2 ILE 89 -2.952 5.771 -2.305 683 HG23 ILE 89 3HG2 ILE 89 -3.367 5.470 -3.993 684 HD11 ILE 89 3HD1 ILE 89 -2.146 2.530 -1.139 685 HD12 ILE 89 1HD1 ILE 89 -2.097 4.288 -1.021 686 HD13 ILE 89 2HD1 ILE 89 -0.595 3.370 -1.135 687 H SER 90 H SER 90 -0.340 2.827 -6.360 688 HA SER 90 HA SER 90 -2.888 2.846 -7.767 689 HB2 SER 90 2HB SER 90 -0.376 2.350 -8.623 690 HB3 SER 90 1HB SER 90 -0.918 0.705 -8.298 691 HG SER 90 HG SER 90 -1.636 1.000 -10.298 692 H THR 91 H THR 91 -4.546 1.872 -6.867 693 HA THR 91 HA THR 91 -4.092 -0.574 -5.300 694 HB THR 91 HB THR 91 -6.308 -0.101 -4.283 695 HG1 THR 91 1HG THR 91 -7.514 1.408 -5.119 696 HG21 THR 91 3HG2 THR 91 -4.324 2.169 -4.070 697 HG22 THR 91 1HG2 THR 91 -4.246 0.641 -3.187 698 HG23 THR 91 2HG2 THR 91 -5.570 1.765 -2.887 699 H THR 92 H THR 92 -6.182 -2.048 -5.361 700 HA THR 92 HA THR 92 -6.738 -2.390 -8.235 701 HB THR 92 HB THR 92 -5.586 -4.292 -7.419 702 HG1 THR 92 1HG THR 92 -8.143 -5.388 -7.271 703 HG21 THR 92 3HG2 THR 92 -6.310 -5.626 -5.525 704 HG22 THR 92 1HG2 THR 92 -7.667 -4.536 -5.250 705 HG23 THR 92 2HG2 THR 92 -6.016 -3.961 -5.019 706 HA PRO 93 HA PRO 93 -10.916 -0.975 -7.154 707 HB2 PRO 93 2HB PRO 93 -11.213 -1.667 -10.026 708 HB3 PRO 93 1HB PRO 93 -11.744 -0.222 -9.160 709 HG2 PRO 93 2HG PRO 93 -9.601 -0.149 -10.734 710 HG3 PRO 93 1HG PRO 93 -9.620 0.725 -9.199 711 HD2 PRO 93 2HD PRO 93 -8.236 -1.789 -9.910 712 HD3 PRO 93 1HD PRO 93 -7.729 -0.500 -8.813 713 H LEU 94 H LEU 94 -13.115 -1.893 -7.721 714 HA LEU 94 HA LEU 94 -13.298 -4.544 -6.817 715 HB2 LEU 94 2HB LEU 94 -15.715 -3.918 -8.090 716 HB3 LEU 94 1HB LEU 94 -15.356 -3.814 -6.392 717 HG LEU 94 HG LEU 94 -14.495 -1.452 -6.895 718 HD11 LEU 94 1HD1 LEU 94 -14.340 -1.177 -9.133 719 HD12 LEU 94 2HD1 LEU 94 -16.015 -0.649 -8.929 720 HD13 LEU 94 3HD1 LEU 94 -15.665 -2.294 -9.461 721 HD21 LEU 94 3HD2 LEU 94 -16.795 -0.540 -6.805 722 HD22 LEU 94 1HD2 LEU 94 -16.513 -1.834 -5.639 723 HD23 LEU 94 2HD2 LEU 94 -17.416 -2.159 -7.119 724 H GLU 95 H GLU 95 -14.351 -6.351 -7.926 725 HA GLU 95 HA GLU 95 -14.394 -6.357 -10.802 726 HB2 GLU 95 2HB GLU 95 -12.667 -7.895 -11.225 727 HB3 GLU 95 1HB GLU 95 -11.959 -6.725 -10.126 728 HG2 GLU 95 2HG GLU 95 -13.078 -9.373 -9.245 729 HG3 GLU 95 1HG GLU 95 -11.394 -9.120 -9.677 730 H ASN 96 H ASN 96 -15.225 -8.338 -11.677 731 HA ASN 96 HA ASN 96 -17.269 -9.455 -9.985 732 HB2 ASN 96 2HB ASN 96 -17.925 -10.716 -12.042 733 HB3 ASN 96 1HB ASN 96 -17.863 -8.972 -12.271 734 HD21 ASN 96 1HD2 ASN 96 -16.430 -8.113 -13.683 735 HD22 ASN 96 2HD2 ASN 96 -15.413 -9.058 -14.716 736 H1 SER 101 1HT SER 101 -3.874 -17.074 2.078 737 H2 SER 101 2HT SER 101 -2.275 -16.846 1.579 738 H3 SER 101 3HT SER 101 -3.442 -17.381 0.475 739 HA SER 101 HA SER 101 -2.915 -15.050 0.150 740 HB2 SER 101 2HB SER 101 -5.714 -15.416 1.240 741 HB3 SER 101 1HB SER 101 -5.194 -14.298 -0.020 742 HG SER 101 HG SER 101 -5.687 -15.851 -1.340 743 H TRP 102 H TRP 102 -2.627 -15.942 3.195 744 HA TRP 102 HA TRP 102 -1.903 -13.467 4.242 745 HB2 TRP 102 2HB TRP 102 -4.405 -13.108 4.191 746 HB3 TRP 102 1HB TRP 102 -4.557 -14.421 5.351 747 HD1 TRP 102 HD TRP 102 -2.854 -13.894 7.680 748 HE1 TRP 102 1HE TRP 102 -2.828 -11.708 9.035 749 HE3 TRP 102 3HE TRP 102 -4.862 -10.745 4.183 750 HZ2 TRP 102 2HZ TRP 102 -3.574 -9.019 8.677 751 HZ3 TRP 102 3HZ TRP 102 -5.179 -8.378 4.784 752 HH2 TRP 102 HH TRP 102 -4.549 -7.537 6.981 753 H GLU 103 H GLU 103 -0.205 -14.909 4.703 754 HA GLU 103 HA GLU 103 -0.803 -16.915 6.753 755 HB2 GLU 103 2HB GLU 103 1.415 -16.684 4.732 756 HB3 GLU 103 1HB GLU 103 1.505 -17.795 6.088 757 HG2 GLU 103 2HG GLU 103 0.748 -18.946 4.095 758 HG3 GLU 103 1HG GLU 103 -0.524 -18.920 5.310 759 H SER 104 H SER 104 2.204 -15.156 5.982 760 HA SER 104 HA SER 104 2.499 -14.669 8.856 761 HB2 SER 104 2HB SER 104 4.697 -14.058 6.941 762 HB3 SER 104 1HB SER 104 4.777 -14.727 8.570 763 HG SER 104 HG SER 104 3.718 -16.645 7.529 764 H HIS 105 H HIS 105 2.863 -12.643 9.702 765 HA HIS 105 HA HIS 105 2.234 -10.405 7.894 766 HB2 HIS 105 2HB HIS 105 0.843 -11.079 10.058 767 HB3 HIS 105 1HB HIS 105 2.082 -10.117 10.858 768 HD2 HIS 105 2HD HIS 105 2.017 -7.387 10.344 769 HE1 HIS 105 1HE HIS 105 -1.646 -7.524 8.236 770 HE2 HIS 105 2HE HIS 105 0.218 -6.027 9.071 771 H LYS 106 H LYS 106 4.678 -11.810 9.745 772 HA LYS 106 HA LYS 106 6.108 -9.512 10.570 773 HB2 LYS 106 2HB LYS 106 6.478 -11.735 11.548 774 HB3 LYS 106 1HB LYS 106 7.120 -12.306 10.013 775 HG2 LYS 106 2HG LYS 106 8.925 -10.603 10.210 776 HG3 LYS 106 1HG LYS 106 8.317 -10.219 11.821 777 HD2 LYS 106 2HD LYS 106 8.804 -12.414 12.609 778 HD3 LYS 106 1HD LYS 106 9.161 -12.981 10.978 779 HE2 LYS 106 2HE LYS 106 11.087 -11.480 10.878 780 HE3 LYS 106 1HE LYS 106 10.726 -10.907 12.503 781 HZ1 LYS 106 3HZ LYS 106 11.344 -12.913 13.437 782 HZ2 LYS 106 1HZ LYS 106 12.487 -12.722 12.205 783 HZ3 LYS 106 2HZ LYS 106 11.183 -13.775 11.992 784 H SER 107 H SER 107 6.421 -8.045 8.980 785 HA SER 107 HA SER 107 8.504 -8.625 7.070 786 HB2 SER 107 2HB SER 107 6.802 -7.433 5.319 787 HB3 SER 107 1HB SER 107 7.006 -9.181 5.445 788 HG SER 107 HG SER 107 5.262 -8.663 7.260 789 H GLY 108 H GLY 108 7.943 -6.892 9.401 790 HA2 GLY 108 2HA GLY 108 9.368 -4.713 9.073 791 HA3 GLY 108 1HA GLY 108 7.909 -4.213 8.230 792 H GLY 109 H GLY 109 6.121 -3.610 9.389 793 HA2 GLY 109 2HA GLY 109 5.703 -4.222 12.116 794 HA3 GLY 109 1HA GLY 109 6.463 -2.641 11.979 795 H GLU 110 H GLU 110 4.945 -1.160 12.300 796 HA GLU 110 HA GLU 110 2.479 -1.345 10.699 797 HB2 GLU 110 2HB GLU 110 2.686 -0.409 13.571 798 HB3 GLU 110 1HB GLU 110 1.232 -0.353 12.585 799 HG2 GLU 110 2HG GLU 110 1.286 -2.806 12.412 800 HG3 GLU 110 1HG GLU 110 2.699 -2.828 13.467 801 H THR 111 H THR 111 4.874 -0.011 10.062 802 HA THR 111 HA THR 111 4.762 2.768 10.696 803 HB THR 111 HB THR 111 6.144 1.523 8.317 804 HG1 THR 111 1HG THR 111 6.683 1.356 11.054 805 HG21 THR 111 3HG2 THR 111 7.728 3.360 8.617 806 HG22 THR 111 1HG2 THR 111 6.806 3.941 10.004 807 HG23 THR 111 2HG2 THR 111 6.092 3.980 8.394 808 H ARG 112 H ARG 112 2.844 3.692 10.161 809 HA ARG 112 HA ARG 112 1.705 3.245 7.523 810 HB2 ARG 112 2HB ARG 112 -0.149 4.692 8.405 811 HB3 ARG 112 1HB ARG 112 0.119 3.199 9.296 812 HG2 ARG 112 2HG ARG 112 0.796 4.279 11.166 813 HG3 ARG 112 1HG ARG 112 1.542 5.602 10.266 814 HD2 ARG 112 2HD ARG 112 -1.432 5.202 10.522 815 HD3 ARG 112 1HD ARG 112 -0.481 6.246 11.579 816 HE ARG 112 HE ARG 112 0.140 7.096 9.059 817 HH11 ARG 112 1HH1 ARG 112 -2.862 6.685 10.822 818 HH12 ARG 112 2HH1 ARG 112 -3.647 8.000 10.011 819 HH21 ARG 112 1HH2 ARG 112 -0.896 8.788 7.990 820 HH22 ARG 112 2HH2 ARG 112 -2.543 9.209 8.420 821 H LEU 113 H LEU 113 0.694 5.296 6.522 822 HA LEU 113 HA LEU 113 2.848 7.262 6.230 823 HB2 LEU 113 2HB LEU 113 0.612 6.349 4.435 824 HB3 LEU 113 1HB LEU 113 1.441 7.858 4.139 825 HG LEU 113 HG LEU 113 2.433 6.274 2.698 826 HD11 LEU 113 1HD1 LEU 113 4.727 6.134 3.441 827 HD12 LEU 113 2HD1 LEU 113 4.231 6.508 5.090 828 HD13 LEU 113 3HD1 LEU 113 4.038 7.714 3.818 829 HD21 LEU 113 3HD2 LEU 113 1.587 4.244 3.727 830 HD22 LEU 113 1HD2 LEU 113 2.715 4.438 5.070 831 HD23 LEU 113 2HD2 LEU 113 3.323 4.123 3.447 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -10.150 -12.028 -12.021 2 H2 GLY 1 2HT GLY 1 -9.375 -11.722 -13.494 3 H3 GLY 1 3HT GLY 1 -10.985 -11.264 -13.277 4 HA2 GLY 1 1HA GLY 1 -10.316 -9.696 -11.551 5 HA3 GLY 1 2HA GLY 1 -8.645 -10.139 -11.858 6 H GLY 2 H GLY 2 -8.631 -7.714 -12.188 7 HA2 GLY 2 2HA GLY 2 -9.175 -7.157 -15.035 8 HA3 GLY 2 1HA GLY 2 -9.503 -5.969 -13.781 9 H SER 3 H SER 3 -7.963 -5.008 -15.619 10 HA SER 3 HA SER 3 -5.252 -5.127 -14.482 11 HB2 SER 3 2HB SER 3 -5.874 -4.731 -17.417 12 HB3 SER 3 1HB SER 3 -4.288 -4.970 -16.683 13 HG SER 3 HG SER 3 -6.231 -6.934 -16.269 14 H MET 4 H MET 4 -4.001 -3.100 -15.565 15 HA MET 4 HA MET 4 -3.702 -0.857 -15.477 16 HB2 MET 4 2HB MET 4 -6.300 -1.183 -16.844 17 HB3 MET 4 1HB MET 4 -5.977 0.419 -16.200 18 HG2 MET 4 2HG MET 4 -3.972 0.601 -17.494 19 HG3 MET 4 1HG MET 4 -4.119 -1.069 -18.034 20 HE1 MET 4 3HE MET 4 -6.789 1.833 -17.685 21 HE2 MET 4 1HE MET 4 -6.821 2.427 -19.346 22 HE3 MET 4 2HE MET 4 -5.356 2.591 -18.379 23 H ARG 5 H ARG 5 -3.595 -1.160 -13.130 24 HA ARG 5 HA ARG 5 -5.868 -0.493 -11.531 25 HB2 ARG 5 2HB ARG 5 -2.932 -0.682 -10.844 26 HB3 ARG 5 1HB ARG 5 -4.196 -0.376 -9.661 27 HG2 ARG 5 2HG ARG 5 -3.925 -2.640 -9.431 28 HG3 ARG 5 1HG ARG 5 -5.217 -2.584 -10.631 29 HD2 ARG 5 2HD ARG 5 -3.485 -2.769 -12.408 30 HD3 ARG 5 1HD ARG 5 -2.276 -2.995 -11.148 31 HE ARG 5 HE ARG 5 -4.381 -4.871 -10.856 32 HH11 ARG 5 1HH1 ARG 5 -1.602 -4.149 -12.865 33 HH12 ARG 5 2HH1 ARG 5 -1.308 -5.809 -13.281 34 HH21 ARG 5 1HH2 ARG 5 -4.015 -7.057 -11.430 35 HH22 ARG 5 2HH2 ARG 5 -2.679 -7.461 -12.461 36 HA PRO 6 HA PRO 6 -5.291 3.906 -11.987 37 HB2 PRO 6 2HB PRO 6 -7.395 4.385 -10.101 38 HB3 PRO 6 1HB PRO 6 -7.500 4.390 -11.862 39 HG2 PRO 6 2HG PRO 6 -8.738 2.522 -10.270 40 HG3 PRO 6 1HG PRO 6 -8.265 2.234 -11.947 41 HD2 PRO 6 2HD PRO 6 -6.832 1.515 -9.418 42 HD3 PRO 6 1HD PRO 6 -7.173 0.519 -10.848 43 HA PRO 7 HA PRO 7 -2.938 4.668 -8.188 44 HB2 PRO 7 2HB PRO 7 -1.794 6.911 -9.604 45 HB3 PRO 7 1HB PRO 7 -1.004 5.464 -8.991 46 HG2 PRO 7 2HG PRO 7 -1.327 5.968 -11.637 47 HG3 PRO 7 1HG PRO 7 -1.282 4.325 -10.970 48 HD2 PRO 7 2HD PRO 7 -3.650 5.974 -11.796 49 HD3 PRO 7 1HD PRO 7 -3.347 4.238 -12.033 50 H ILE 8 H ILE 8 -3.854 5.675 -6.612 51 HA ILE 8 HA ILE 8 -5.420 8.077 -7.007 52 HB ILE 8 HB ILE 8 -4.832 6.834 -4.342 53 HG12 ILE 8 2HG1 ILE 8 -7.087 5.856 -6.045 54 HG13 ILE 8 1HG1 ILE 8 -5.503 5.163 -6.228 55 HG21 ILE 8 1HG2 ILE 8 -6.133 8.913 -4.487 56 HG22 ILE 8 2HG2 ILE 8 -7.085 7.567 -3.856 57 HG23 ILE 8 3HG2 ILE 8 -7.290 8.082 -5.528 58 HD11 ILE 8 3HD1 ILE 8 -6.749 5.332 -3.542 59 HD12 ILE 8 1HD1 ILE 8 -5.516 4.220 -4.126 60 HD13 ILE 8 2HD1 ILE 8 -7.189 4.037 -4.654 61 H ILE 9 H ILE 9 -4.362 9.928 -7.068 62 HA ILE 9 HA ILE 9 -1.727 10.167 -5.973 63 HB ILE 9 HB ILE 9 -3.290 12.520 -6.947 64 HG12 ILE 9 2HG1 ILE 9 -3.661 10.696 -8.591 65 HG13 ILE 9 1HG1 ILE 9 -2.714 12.023 -9.248 66 HG21 ILE 9 1HG2 ILE 9 -1.102 12.942 -6.034 67 HG22 ILE 9 2HG2 ILE 9 -1.056 13.191 -7.779 68 HG23 ILE 9 3HG2 ILE 9 -0.385 11.714 -7.080 69 HD11 ILE 9 3HD1 ILE 9 -1.795 9.944 -9.985 70 HD12 ILE 9 1HD1 ILE 9 -1.687 9.355 -8.326 71 HD13 ILE 9 2HD1 ILE 9 -0.670 10.695 -8.855 72 H ILE 10 H ILE 10 -1.698 10.141 -3.763 73 HA ILE 10 HA ILE 10 -3.543 11.742 -2.220 74 HB ILE 10 HB ILE 10 -0.918 10.557 -1.247 75 HG12 ILE 10 2HG1 ILE 10 -3.318 9.196 -0.351 76 HG13 ILE 10 1HG1 ILE 10 -3.077 9.046 -2.064 77 HG21 ILE 10 1HG2 ILE 10 -2.317 10.557 0.931 78 HG22 ILE 10 2HG2 ILE 10 -3.290 11.767 0.096 79 HG23 ILE 10 3HG2 ILE 10 -1.572 12.054 0.373 80 HD11 ILE 10 3HD1 ILE 10 -0.992 8.019 -1.796 81 HD12 ILE 10 1HD1 ILE 10 -2.090 7.251 -0.648 82 HD13 ILE 10 2HD1 ILE 10 -0.941 8.467 -0.093 83 H HIS 11 H HIS 11 -2.734 13.525 -0.846 84 HA HIS 11 HA HIS 11 -0.326 14.836 -1.846 85 HB2 HIS 11 2HB HIS 11 -2.240 15.829 -3.064 86 HB3 HIS 11 1HB HIS 11 -3.032 16.178 -1.532 87 HD2 HIS 11 2HD HIS 11 0.511 17.163 -3.014 88 HE1 HIS 11 1HE HIS 11 -1.287 20.495 -1.129 89 HE2 HIS 11 2HE HIS 11 0.814 19.621 -2.243 90 H ARG 12 H ARG 12 0.895 14.974 -0.102 91 HA ARG 12 HA ARG 12 -0.062 14.709 2.533 92 HB2 ARG 12 2HB ARG 12 2.257 14.201 1.695 93 HB3 ARG 12 1HB ARG 12 2.558 15.933 1.692 94 HG2 ARG 12 2HG ARG 12 2.189 16.031 4.080 95 HG3 ARG 12 1HG ARG 12 1.789 14.309 4.105 96 HD2 ARG 12 2HD ARG 12 4.005 13.743 3.372 97 HD3 ARG 12 1HD ARG 12 4.419 15.446 3.198 98 HE ARG 12 HE ARG 12 3.763 14.216 5.809 99 HH11 ARG 12 1HH1 ARG 12 5.778 16.298 3.834 100 HH12 ARG 12 2HH1 ARG 12 6.753 16.817 5.171 101 HH21 ARG 12 1HH2 ARG 12 5.039 14.914 7.561 102 HH22 ARG 12 2HH2 ARG 12 6.331 16.044 7.284 103 H ALA 13 H ALA 13 -1.456 16.137 3.294 104 HA ALA 13 HA ALA 13 -1.298 18.948 2.758 105 HB1 ALA 13 1HB ALA 13 -3.253 19.096 4.240 106 HB2 ALA 13 2HB ALA 13 -3.053 17.396 4.656 107 HB3 ALA 13 3HB ALA 13 -3.451 17.856 3.002 108 H GLY 14 H GLY 14 1.095 18.295 3.852 109 HA2 GLY 14 2HA GLY 14 2.534 19.276 5.373 110 HA3 GLY 14 1HA GLY 14 1.147 19.983 6.184 111 H LYS 15 H LYS 15 0.345 16.847 6.011 112 HA LYS 15 HA LYS 15 1.729 16.203 8.526 113 HB2 LYS 15 2HB LYS 15 -0.477 14.752 8.850 114 HB3 LYS 15 1HB LYS 15 -0.376 16.428 9.360 115 HG2 LYS 15 2HG LYS 15 -1.588 17.173 7.468 116 HG3 LYS 15 1HG LYS 15 -1.468 15.596 6.689 117 HD2 LYS 15 2HD LYS 15 -3.691 15.902 7.622 118 HD3 LYS 15 1HD LYS 15 -2.840 14.619 8.481 119 HE2 LYS 15 2HE LYS 15 -2.388 16.063 10.336 120 HE3 LYS 15 1HE LYS 15 -2.983 17.468 9.458 121 HZ1 LYS 15 3HZ LYS 15 -5.196 16.391 9.430 122 HZ2 LYS 15 1HZ LYS 15 -4.650 16.761 10.983 123 HZ3 LYS 15 2HZ LYS 15 -4.589 15.164 10.426 124 H LYS 16 H LYS 16 -0.417 14.226 6.492 125 HA LYS 16 HA LYS 16 1.776 12.587 5.575 126 HB2 LYS 16 2HB LYS 16 0.525 10.523 6.568 127 HB3 LYS 16 1HB LYS 16 1.621 11.441 7.585 128 HG2 LYS 16 2HG LYS 16 -0.196 12.571 8.651 129 HG3 LYS 16 1HG LYS 16 -1.352 11.872 7.517 130 HD2 LYS 16 2HD LYS 16 -1.111 9.720 8.434 131 HD3 LYS 16 1HD LYS 16 0.368 10.166 9.291 132 HE2 LYS 16 2HE LYS 16 -0.826 11.490 10.843 133 HE3 LYS 16 1HE LYS 16 -2.300 11.421 9.877 134 HZ1 LYS 16 3HZ LYS 16 -2.766 9.308 10.560 135 HZ2 LYS 16 1HZ LYS 16 -1.995 9.893 11.949 136 HZ3 LYS 16 2HZ LYS 16 -1.145 8.913 10.866 137 H TYR 17 H TYR 17 0.553 10.413 4.669 138 HA TYR 17 HA TYR 17 -1.298 11.512 2.708 139 HB2 TYR 17 2HB TYR 17 -0.099 8.740 2.716 140 HB3 TYR 17 1HB TYR 17 -0.842 9.593 1.345 141 HD1 TYR 17 1HD TYR 17 2.131 9.381 3.513 142 HD2 TYR 17 2HD TYR 17 0.352 11.331 0.184 143 HE1 TYR 17 1HE TYR 17 4.302 10.370 2.950 144 HE2 TYR 17 2HE TYR 17 2.531 12.327 -0.401 145 HH TYR 17 HH TYR 17 4.667 12.653 0.273 146 H GLY 18 H GLY 18 -1.572 10.432 5.640 147 HA2 GLY 18 2HA GLY 18 -3.241 9.626 6.932 148 HA3 GLY 18 1HA GLY 18 -4.292 10.146 5.647 149 H PHE 19 H PHE 19 -1.969 7.479 5.710 150 HA PHE 19 HA PHE 19 -4.042 5.556 6.115 151 HB2 PHE 19 2HB PHE 19 -4.152 4.495 4.033 152 HB3 PHE 19 1HB PHE 19 -4.288 6.182 3.691 153 HD1 PHE 19 2HD PHE 19 -2.091 7.390 2.969 154 HD2 PHE 19 1HD PHE 19 -2.638 3.175 2.962 155 HE1 PHE 19 2HE PHE 19 -0.213 7.144 1.382 156 HE2 PHE 19 1HE PHE 19 -0.774 2.921 1.385 157 HZ PHE 19 HZ PHE 19 0.441 4.910 0.591 158 H THR 20 H THR 20 -3.461 3.556 6.455 159 HA THR 20 HA THR 20 -0.664 3.149 7.260 160 HB THR 20 HB THR 20 -3.150 1.526 7.845 161 HG1 THR 20 1HG THR 20 -2.582 3.838 8.757 162 HG21 THR 20 3HG2 THR 20 -0.561 1.371 9.359 163 HG22 THR 20 1HG2 THR 20 -0.875 0.343 7.963 164 HG23 THR 20 2HG2 THR 20 -1.927 0.249 9.377 165 H LEU 21 H LEU 21 0.698 2.134 5.837 166 HA LEU 21 HA LEU 21 -0.397 0.294 3.859 167 HB2 LEU 21 2HB LEU 21 1.574 2.128 3.592 168 HB3 LEU 21 1HB LEU 21 2.533 0.731 3.988 169 HG LEU 21 HG LEU 21 2.261 -0.189 1.966 170 HD11 LEU 21 1HD1 LEU 21 0.150 -0.155 0.676 171 HD12 LEU 21 2HD1 LEU 21 -0.580 0.818 1.952 172 HD13 LEU 21 3HD1 LEU 21 -0.041 -0.826 2.296 173 HD21 LEU 21 3HD2 LEU 21 1.177 2.522 1.260 174 HD22 LEU 21 1HD2 LEU 21 2.008 1.397 0.188 175 HD23 LEU 21 2HD2 LEU 21 2.879 2.153 1.523 176 H ARG 22 H ARG 22 -0.957 -1.419 5.306 177 HA ARG 22 HA ARG 22 1.036 -2.706 6.921 178 HB2 ARG 22 2HB ARG 22 -1.773 -2.852 6.632 179 HB3 ARG 22 1HB ARG 22 -1.149 -4.460 6.296 180 HG2 ARG 22 2HG ARG 22 -1.718 -4.188 8.648 181 HG3 ARG 22 1HG ARG 22 0.009 -4.480 8.430 182 HD2 ARG 22 2HD ARG 22 0.550 -2.229 8.852 183 HD3 ARG 22 1HD ARG 22 -1.125 -1.707 8.657 184 HE ARG 22 HE ARG 22 -1.228 -3.422 10.760 185 HH11 ARG 22 1HH1 ARG 22 0.739 -0.609 10.059 186 HH12 ARG 22 2HH1 ARG 22 0.858 -0.127 11.721 187 HH21 ARG 22 1HH2 ARG 22 -1.060 -2.799 12.939 188 HH22 ARG 22 2HH2 ARG 22 -0.159 -1.375 13.357 189 H ALA 23 H ALA 23 2.119 -4.623 6.544 190 HA ALA 23 HA ALA 23 2.372 -5.396 3.733 191 HB1 ALA 23 1HB ALA 23 4.189 -6.241 5.968 192 HB2 ALA 23 2HB ALA 23 4.375 -4.688 5.144 193 HB3 ALA 23 3HB ALA 23 4.525 -6.197 4.237 194 H ILE 24 H ILE 24 2.184 -7.529 3.063 195 HA ILE 24 HA ILE 24 1.543 -9.572 5.043 196 HB ILE 24 HB ILE 24 -0.367 -10.368 3.618 197 HG12 ILE 24 2HG1 ILE 24 -0.407 -7.561 2.524 198 HG13 ILE 24 1HG1 ILE 24 0.290 -8.914 1.642 199 HG21 ILE 24 1HG2 ILE 24 -0.797 -9.318 5.735 200 HG22 ILE 24 2HG2 ILE 24 -1.997 -8.770 4.564 201 HG23 ILE 24 3HG2 ILE 24 -0.654 -7.716 5.008 202 HD11 ILE 24 3HD1 ILE 24 -1.850 -10.039 1.613 203 HD12 ILE 24 1HD1 ILE 24 -2.002 -8.416 0.937 204 HD13 ILE 24 2HD1 ILE 24 -2.564 -8.747 2.577 205 H ARG 25 H ARG 25 2.196 -11.603 4.436 206 HA ARG 25 HA ARG 25 3.541 -11.765 1.814 207 HB2 ARG 25 2HB ARG 25 4.113 -13.531 4.188 208 HB3 ARG 25 1HB ARG 25 5.077 -13.329 2.735 209 HG2 ARG 25 2HG ARG 25 5.524 -10.984 3.419 210 HG3 ARG 25 1HG ARG 25 4.674 -11.314 4.932 211 HD2 ARG 25 2HD ARG 25 6.381 -13.382 4.923 212 HD3 ARG 25 1HD ARG 25 7.335 -12.216 4.007 213 HE ARG 25 HE ARG 25 6.330 -10.947 6.293 214 HH11 ARG 25 1HH1 ARG 25 8.676 -13.396 5.383 215 HH12 ARG 25 2HH1 ARG 25 9.650 -13.154 6.797 216 HH21 ARG 25 1HH2 ARG 25 7.591 -10.685 8.180 217 HH22 ARG 25 2HH2 ARG 25 9.026 -11.638 8.390 218 H VAL 26 H VAL 26 2.085 -12.665 0.473 219 HA VAL 26 HA VAL 26 0.417 -14.864 1.354 220 HB VAL 26 HB VAL 26 -0.305 -14.867 -1.104 221 HG11 VAL 26 1HG1 VAL 26 -1.770 -12.922 -0.768 222 HG12 VAL 26 2HG1 VAL 26 -0.755 -12.394 0.572 223 HG13 VAL 26 3HG1 VAL 26 -1.657 -13.905 0.692 224 HG21 VAL 26 3HG2 VAL 26 0.118 -12.826 -2.358 225 HG22 VAL 26 1HG2 VAL 26 1.623 -13.674 -2.003 226 HG23 VAL 26 2HG2 VAL 26 1.175 -12.246 -1.072 227 H TYR 27 H TYR 27 1.169 -16.881 1.402 228 HA TYR 27 HA TYR 27 3.520 -17.607 -0.112 229 HB2 TYR 27 2HB TYR 27 1.789 -18.968 1.910 230 HB3 TYR 27 1HB TYR 27 2.846 -19.945 0.898 231 HD1 TYR 27 2HD TYR 27 3.127 -16.761 2.864 232 HD2 TYR 27 1HD TYR 27 4.840 -20.524 1.871 233 HE1 TYR 27 2HE TYR 27 4.996 -16.309 4.398 234 HE2 TYR 27 1HE TYR 27 6.708 -20.086 3.407 235 HH TYR 27 HH TYR 27 7.840 -18.189 4.440 236 H MET 28 H MET 28 3.629 -19.179 -1.735 237 HA MET 28 HA MET 28 1.214 -19.344 -3.349 238 HB2 MET 28 2HB MET 28 3.979 -20.375 -3.968 239 HB3 MET 28 1HB MET 28 2.664 -20.189 -5.105 240 HG2 MET 28 2HG MET 28 2.753 -17.791 -4.697 241 HG3 MET 28 1HG MET 28 4.152 -18.024 -3.670 242 HE1 MET 28 3HE MET 28 5.603 -16.313 -5.089 243 HE2 MET 28 1HE MET 28 4.185 -15.995 -6.088 244 HE3 MET 28 2HE MET 28 5.732 -16.373 -6.848 245 H GLY 29 H GLY 29 0.418 -20.674 -1.406 246 HA2 GLY 29 2HA GLY 29 -0.486 -22.716 -0.827 247 HA3 GLY 29 1HA GLY 29 0.320 -23.423 -2.223 248 H ASP 30 H ASP 30 1.405 -25.133 -1.430 249 HA ASP 30 HA ASP 30 2.851 -24.847 1.084 250 HB2 ASP 30 2HB ASP 30 1.570 -26.935 0.665 251 HB3 ASP 30 1HB ASP 30 2.619 -27.276 -0.711 252 H SER 31 H SER 31 4.404 -23.364 0.428 253 HA SER 31 HA SER 31 6.761 -24.534 -0.691 254 HB2 SER 31 2HB SER 31 6.950 -22.761 -2.494 255 HB3 SER 31 1HB SER 31 5.749 -24.013 -2.799 256 HG SER 31 HG SER 31 4.234 -22.551 -2.733 257 H ASP 32 H ASP 32 8.586 -22.967 -0.625 258 HA ASP 32 HA ASP 32 8.362 -21.337 1.746 259 HB2 ASP 32 2HB ASP 32 10.343 -22.753 1.360 260 HB3 ASP 32 1HB ASP 32 10.721 -21.815 -0.079 261 H VAL 33 H VAL 33 8.071 -20.893 -1.574 262 HA VAL 33 HA VAL 33 8.932 -18.163 -1.656 263 HB VAL 33 HB VAL 33 9.176 -19.556 -3.647 264 HG11 VAL 33 1HG1 VAL 33 7.163 -20.125 -4.996 265 HG12 VAL 33 2HG1 VAL 33 6.169 -19.680 -3.609 266 HG13 VAL 33 3HG1 VAL 33 7.302 -21.025 -3.486 267 HG21 VAL 33 3HG2 VAL 33 8.075 -18.010 -5.290 268 HG22 VAL 33 1HG2 VAL 33 9.064 -17.223 -4.061 269 HG23 VAL 33 2HG2 VAL 33 7.307 -17.216 -3.917 270 H TYR 34 H TYR 34 7.727 -16.399 -1.641 271 HA TYR 34 HA TYR 34 4.831 -16.536 -1.592 272 HB2 TYR 34 2HB TYR 34 4.683 -15.270 0.534 273 HB3 TYR 34 1HB TYR 34 5.382 -16.869 0.765 274 HD1 TYR 34 1HD TYR 34 6.063 -13.261 0.739 275 HD2 TYR 34 2HD TYR 34 7.687 -17.130 1.443 276 HE1 TYR 34 1HE TYR 34 8.002 -12.238 1.850 277 HE2 TYR 34 2HE TYR 34 9.626 -16.111 2.561 278 HH TYR 34 HH TYR 34 10.818 -13.791 2.417 279 H THR 35 H THR 35 3.849 -14.432 -1.851 280 HA THR 35 HA THR 35 5.714 -12.519 -3.078 281 HB THR 35 HB THR 35 2.928 -11.878 -3.450 282 HG1 THR 35 1HG THR 35 2.300 -13.725 -4.549 283 HG21 THR 35 3HG2 THR 35 5.121 -12.668 -5.362 284 HG22 THR 35 1HG2 THR 35 4.724 -11.028 -4.852 285 HG23 THR 35 2HG2 THR 35 3.577 -11.953 -5.822 286 H VAL 36 H VAL 36 6.051 -10.607 -2.175 287 HA VAL 36 HA VAL 36 4.730 -10.003 0.341 288 HB VAL 36 HB VAL 36 6.812 -8.236 -0.904 289 HG11 VAL 36 1HG1 VAL 36 5.641 -7.494 1.122 290 HG12 VAL 36 2HG1 VAL 36 7.358 -7.765 1.420 291 HG13 VAL 36 3HG1 VAL 36 6.172 -8.955 1.958 292 HG21 VAL 36 3HG2 VAL 36 7.773 -10.439 -1.084 293 HG22 VAL 36 1HG2 VAL 36 7.320 -10.815 0.577 294 HG23 VAL 36 2HG2 VAL 36 8.543 -9.588 0.254 295 H HIS 37 H HIS 37 2.819 -9.046 0.183 296 HA HIS 37 HA HIS 37 2.508 -6.876 -1.783 297 HB2 HIS 37 2HB HIS 37 0.411 -8.689 -0.564 298 HB3 HIS 37 1HB HIS 37 0.039 -7.276 -1.539 299 HD2 HIS 37 2HD HIS 37 -0.309 -10.686 -2.179 300 HE1 HIS 37 1HE HIS 37 1.864 -9.429 -5.578 301 HE2 HIS 37 2HE HIS 37 0.602 -11.346 -4.512 302 H HIS 38 H HIS 38 0.548 -5.424 -0.942 303 HA HIS 38 HA HIS 38 0.738 -4.872 1.906 304 HB2 HIS 38 2HB HIS 38 1.499 -2.808 -0.187 305 HB3 HIS 38 1HB HIS 38 1.276 -2.478 1.525 306 HD2 HIS 38 2HD HIS 38 4.004 -3.363 -0.884 307 HE1 HIS 38 1HE HIS 38 5.431 -4.367 2.962 308 HE2 HIS 38 2HE HIS 38 5.968 -4.368 0.492 309 H MET 39 H MET 39 -0.956 -3.482 2.621 310 HA MET 39 HA MET 39 -3.008 -2.765 0.673 311 HB2 MET 39 2HB MET 39 -3.647 -4.528 3.046 312 HB3 MET 39 1HB MET 39 -4.787 -3.926 1.858 313 HG2 MET 39 2HG MET 39 -3.606 -5.264 0.136 314 HG3 MET 39 1HG MET 39 -2.603 -5.941 1.412 315 HE1 MET 39 3HE MET 39 -5.320 -7.765 3.612 316 HE2 MET 39 1HE MET 39 -5.053 -6.027 3.745 317 HE3 MET 39 2HE MET 39 -3.680 -7.119 3.562 318 H VAL 40 H VAL 40 -4.388 -1.160 1.408 319 HA VAL 40 HA VAL 40 -3.345 0.416 3.546 320 HB VAL 40 HB VAL 40 -4.261 1.627 1.712 321 HG11 VAL 40 1HG1 VAL 40 -6.708 1.506 1.186 322 HG12 VAL 40 2HG1 VAL 40 -6.774 0.049 2.177 323 HG13 VAL 40 3HG1 VAL 40 -5.760 0.091 0.731 324 HG21 VAL 40 3HG2 VAL 40 -4.703 2.369 4.143 325 HG22 VAL 40 1HG2 VAL 40 -6.383 1.967 3.793 326 HG23 VAL 40 2HG2 VAL 40 -5.553 3.191 2.831 327 H TRP 41 H TRP 41 -3.527 -0.327 5.473 328 HA TRP 41 HA TRP 41 -5.594 -2.013 6.438 329 HB2 TRP 41 2HB TRP 41 -3.073 -1.471 7.202 330 HB3 TRP 41 1HB TRP 41 -3.951 -0.472 8.353 331 HD1 TRP 41 HD TRP 41 -4.359 -1.670 10.523 332 HE1 TRP 41 1HE TRP 41 -4.770 -4.101 11.258 333 HE3 TRP 41 3HE TRP 41 -4.189 -3.927 5.944 334 HZ2 TRP 41 2HZ TRP 41 -5.000 -6.652 10.033 335 HZ3 TRP 41 3HZ TRP 41 -4.509 -6.361 5.812 336 HH2 TRP 41 HH TRP 41 -4.903 -7.689 7.820 337 H HIS 42 H HIS 42 -4.884 1.393 6.755 338 HA HIS 42 HA HIS 42 -7.639 1.990 7.373 339 HB2 HIS 42 2HB HIS 42 -6.185 1.449 9.539 340 HB3 HIS 42 1HB HIS 42 -5.693 3.117 9.322 341 HD2 HIS 42 2HD HIS 42 -7.923 4.975 9.312 342 HE1 HIS 42 1HE HIS 42 -10.269 2.365 11.673 343 HE2 HIS 42 2HE HIS 42 -10.114 4.685 10.665 344 H VAL 43 H VAL 43 -8.132 3.839 6.419 345 HA VAL 43 HA VAL 43 -5.949 5.729 5.931 346 HB VAL 43 HB VAL 43 -6.381 4.690 3.830 347 HG11 VAL 43 1HG1 VAL 43 -8.551 3.769 4.237 348 HG12 VAL 43 2HG1 VAL 43 -8.581 4.746 2.770 349 HG13 VAL 43 3HG1 VAL 43 -9.260 5.382 4.267 350 HG21 VAL 43 3HG2 VAL 43 -5.974 7.091 3.763 351 HG22 VAL 43 1HG2 VAL 43 -7.712 7.385 3.889 352 HG23 VAL 43 2HG2 VAL 43 -7.063 6.583 2.462 353 H GLU 44 H GLU 44 -6.245 7.649 6.597 354 HA GLU 44 HA GLU 44 -8.505 8.388 8.135 355 HB2 GLU 44 2HB GLU 44 -5.895 9.567 7.375 356 HB3 GLU 44 1HB GLU 44 -7.143 10.669 7.915 357 HG2 GLU 44 2HG GLU 44 -7.205 9.785 10.043 358 HG3 GLU 44 1HG GLU 44 -6.546 8.237 9.519 359 H ASP 45 H ASP 45 -10.314 9.273 7.512 360 HA ASP 45 HA ASP 45 -10.666 10.214 4.795 361 HB2 ASP 45 2HB ASP 45 -13.051 10.348 5.409 362 HB3 ASP 45 1HB ASP 45 -12.370 8.767 5.772 363 H GLY 46 H GLY 46 -9.123 11.705 6.941 364 HA2 GLY 46 2HA GLY 46 -10.674 14.079 7.434 365 HA3 GLY 46 1HA GLY 46 -8.995 13.819 7.870 366 H GLY 47 H GLY 47 -8.571 13.051 4.870 367 HA2 GLY 47 2HA GLY 47 -9.129 15.190 3.244 368 HA3 GLY 47 1HA GLY 47 -7.730 15.695 4.164 369 HA PRO 48 HA PRO 48 -4.819 13.422 1.707 370 HB2 PRO 48 2HB PRO 48 -4.659 11.121 3.587 371 HB3 PRO 48 1HB PRO 48 -3.365 12.097 2.887 372 HG2 PRO 48 2HG PRO 48 -4.042 12.497 5.382 373 HG3 PRO 48 1HG PRO 48 -3.830 13.909 4.322 374 HD2 PRO 48 2HD PRO 48 -6.377 12.552 5.165 375 HD3 PRO 48 1HD PRO 48 -5.971 14.279 5.152 376 H ALA 49 H ALA 49 -4.467 10.391 2.051 377 HA ALA 49 HA ALA 49 -5.222 9.479 -0.333 378 HB1 ALA 49 1HB ALA 49 -4.210 7.665 0.383 379 HB2 ALA 49 2HB ALA 49 -5.533 7.292 1.493 380 HB3 ALA 49 3HB ALA 49 -4.209 8.334 2.022 381 H SER 50 H SER 50 -7.440 9.437 2.472 382 HA SER 50 HA SER 50 -9.380 7.794 1.238 383 HB2 SER 50 2HB SER 50 -9.228 9.491 3.613 384 HB3 SER 50 1HB SER 50 -10.844 9.364 2.926 385 HG SER 50 HG SER 50 -9.984 6.942 2.875 386 H GLU 51 H GLU 51 -9.430 11.323 1.675 387 HA GLU 51 HA GLU 51 -11.717 11.739 0.077 388 HB2 GLU 51 2HB GLU 51 -9.530 13.720 0.710 389 HB3 GLU 51 1HB GLU 51 -11.177 14.097 0.216 390 HG2 GLU 51 2HG GLU 51 -11.495 12.472 2.423 391 HG3 GLU 51 1HG GLU 51 -10.117 13.489 2.836 392 H ALA 52 H ALA 52 -8.429 11.249 -0.645 393 HA ALA 52 HA ALA 52 -8.374 12.432 -3.232 394 HB1 ALA 52 1HB ALA 52 -6.582 10.164 -2.532 395 HB2 ALA 52 2HB ALA 52 -6.441 11.667 -1.621 396 HB3 ALA 52 3HB ALA 52 -6.216 11.671 -3.372 397 H GLY 53 H GLY 53 -9.469 9.393 -1.954 398 HA2 GLY 53 2HA GLY 53 -11.167 8.440 -3.611 399 HA3 GLY 53 1HA GLY 53 -9.783 8.344 -4.681 400 H LEU 54 H LEU 54 -8.286 7.701 -1.966 401 HA LEU 54 HA LEU 54 -8.227 4.900 -2.443 402 HB2 LEU 54 2HB LEU 54 -6.431 6.542 -1.400 403 HB3 LEU 54 1HB LEU 54 -7.157 6.014 0.099 404 HG LEU 54 HG LEU 54 -5.872 4.246 -1.979 405 HD11 LEU 54 1HD1 LEU 54 -4.201 5.446 -0.749 406 HD12 LEU 54 2HD1 LEU 54 -4.260 3.791 -0.137 407 HD13 LEU 54 3HD1 LEU 54 -5.012 5.097 0.779 408 HD21 LEU 54 3HD2 LEU 54 -6.980 3.492 0.698 409 HD22 LEU 54 1HD2 LEU 54 -6.234 2.422 -0.487 410 HD23 LEU 54 2HD2 LEU 54 -7.778 3.195 -0.843 411 H ARG 55 H ARG 55 -9.660 3.519 -1.866 412 HA ARG 55 HA ARG 55 -11.356 4.025 0.458 413 HB2 ARG 55 2HB ARG 55 -12.643 2.026 -0.379 414 HB3 ARG 55 1HB ARG 55 -12.626 3.409 -1.459 415 HG2 ARG 55 2HG ARG 55 -12.147 1.892 -3.026 416 HG3 ARG 55 1HG ARG 55 -10.505 2.001 -2.393 417 HD2 ARG 55 2HD ARG 55 -11.209 -0.324 -2.609 418 HD3 ARG 55 1HD ARG 55 -10.936 0.101 -0.922 419 HE ARG 55 HE ARG 55 -13.415 0.330 -0.757 420 HH11 ARG 55 1HH1 ARG 55 -12.026 -1.654 -3.295 421 HH12 ARG 55 2HH1 ARG 55 -13.391 -2.721 -3.372 422 HH21 ARG 55 1HH2 ARG 55 -15.220 -1.072 -0.883 423 HH22 ARG 55 2HH2 ARG 55 -15.190 -2.400 -2.003 424 H GLN 56 H GLN 56 -10.899 3.129 2.355 425 HA GLN 56 HA GLN 56 -8.725 1.589 2.972 426 HB2 GLN 56 2HB GLN 56 -10.308 2.745 4.546 427 HB3 GLN 56 1HB GLN 56 -11.352 1.356 4.410 428 HG2 GLN 56 2HG GLN 56 -9.852 0.021 5.490 429 HG3 GLN 56 1HG GLN 56 -8.503 1.108 5.242 430 HE21 GLN 56 1HE2 GLN 56 -9.754 -0.113 7.687 431 HE22 GLN 56 2HE2 GLN 56 -10.062 1.233 8.732 432 H GLY 57 H GLY 57 -8.249 -0.577 3.240 433 HA2 GLY 57 2HA GLY 57 -8.631 -2.884 3.196 434 HA3 GLY 57 1HA GLY 57 -10.267 -2.583 2.624 435 H ASP 58 H ASP 58 -8.145 -0.764 0.812 436 HA ASP 58 HA ASP 58 -8.414 -2.559 -1.456 437 HB2 ASP 58 2HB ASP 58 -8.598 0.113 -1.305 438 HB3 ASP 58 1HB ASP 58 -6.888 -0.025 -1.700 439 H LEU 59 H LEU 59 -6.742 -3.468 -2.598 440 HA LEU 59 HA LEU 59 -4.250 -3.782 -1.105 441 HB2 LEU 59 2HB LEU 59 -5.033 -5.877 -1.748 442 HB3 LEU 59 1HB LEU 59 -5.601 -5.303 -3.302 443 HG LEU 59 HG LEU 59 -3.045 -4.969 -3.792 444 HD11 LEU 59 1HD1 LEU 59 -2.231 -5.468 -1.571 445 HD12 LEU 59 2HD1 LEU 59 -1.665 -6.690 -2.711 446 HD13 LEU 59 3HD1 LEU 59 -3.000 -7.056 -1.618 447 HD21 LEU 59 3HD2 LEU 59 -4.470 -7.619 -3.767 448 HD22 LEU 59 1HD2 LEU 59 -2.949 -7.322 -4.608 449 HD23 LEU 59 2HD2 LEU 59 -4.403 -6.442 -5.079 450 H ILE 60 H ILE 60 -2.330 -3.009 -1.788 451 HA ILE 60 HA ILE 60 -2.406 -1.173 -4.050 452 HB ILE 60 HB ILE 60 -0.329 -1.582 -1.891 453 HG12 ILE 60 2HG1 ILE 60 -0.969 0.863 -1.439 454 HG13 ILE 60 1HG1 ILE 60 -2.373 0.562 -2.451 455 HG21 ILE 60 1HG2 ILE 60 0.834 0.354 -2.841 456 HG22 ILE 60 2HG2 ILE 60 -0.326 0.396 -4.171 457 HG23 ILE 60 3HG2 ILE 60 0.759 -0.982 -3.990 458 HD11 ILE 60 3HD1 ILE 60 -1.697 -0.972 0.047 459 HD12 ILE 60 1HD1 ILE 60 -3.163 -1.117 -0.923 460 HD13 ILE 60 2HD1 ILE 60 -2.836 0.377 -0.040 461 H THR 61 H THR 61 -1.596 -1.674 -5.954 462 HA THR 61 HA THR 61 0.015 -4.113 -6.199 463 HB THR 61 HB THR 61 -0.617 -4.131 -8.543 464 HG1 THR 61 1HG THR 61 -0.767 -2.045 -9.182 465 HG21 THR 61 3HG2 THR 61 -3.051 -3.482 -6.872 466 HG22 THR 61 1HG2 THR 61 -2.218 -5.038 -6.862 467 HG23 THR 61 2HG2 THR 61 -3.001 -4.470 -8.337 468 H HIS 62 H HIS 62 -0.027 -0.684 -6.971 469 HA HIS 62 HA HIS 62 2.860 -0.776 -7.476 470 HB2 HIS 62 2HB HIS 62 0.869 0.598 -9.291 471 HB3 HIS 62 1HB HIS 62 2.612 0.702 -9.430 472 HD2 HIS 62 2HD HIS 62 3.870 -1.637 -10.389 473 HE1 HIS 62 1HE HIS 62 0.253 -3.369 -11.729 474 HE2 HIS 62 2HE HIS 62 2.777 -3.381 -11.967 475 H VAL 63 H VAL 63 3.897 1.285 -7.261 476 HA VAL 63 HA VAL 63 2.303 3.475 -6.200 477 HB VAL 63 HB VAL 63 3.001 2.210 -4.209 478 HG11 VAL 63 1HG1 VAL 63 5.057 1.211 -5.090 479 HG12 VAL 63 2HG1 VAL 63 5.331 2.037 -3.556 480 HG13 VAL 63 3HG1 VAL 63 5.830 2.797 -5.066 481 HG21 VAL 63 3HG2 VAL 63 4.457 4.197 -3.237 482 HG22 VAL 63 1HG2 VAL 63 2.743 4.393 -3.614 483 HG23 VAL 63 2HG2 VAL 63 3.965 4.964 -4.749 484 H ASN 64 H ASN 64 2.875 5.273 -7.191 485 HA ASN 64 HA ASN 64 4.021 6.777 -8.471 486 HB2 ASN 64 2HB ASN 64 5.495 6.493 -6.294 487 HB3 ASN 64 1HB ASN 64 6.631 5.753 -7.416 488 HD21 ASN 64 1HD2 ASN 64 7.107 8.101 -5.956 489 HD22 ASN 64 2HD2 ASN 64 7.273 9.415 -7.070 490 H GLY 65 H GLY 65 3.593 4.020 -9.480 491 HA2 GLY 65 2HA GLY 65 4.007 2.963 -11.495 492 HA3 GLY 65 1HA GLY 65 5.187 4.212 -11.852 493 H GLU 66 H GLU 66 5.057 2.022 -9.121 494 HA GLU 66 HA GLU 66 7.315 0.505 -10.052 495 HB2 GLU 66 2HB GLU 66 7.871 2.673 -8.677 496 HB3 GLU 66 1HB GLU 66 7.408 1.679 -7.311 497 HG2 GLU 66 2HG GLU 66 9.820 1.649 -7.663 498 HG3 GLU 66 1HG GLU 66 9.103 0.049 -7.850 499 HA PRO 67 HA PRO 67 4.318 -2.508 -8.427 500 HB2 PRO 67 2HB PRO 67 6.785 -4.120 -8.772 501 HB3 PRO 67 1HB PRO 67 5.148 -4.435 -9.349 502 HG2 PRO 67 2HG PRO 67 7.226 -3.479 -10.903 503 HG3 PRO 67 1HG PRO 67 5.507 -3.340 -11.294 504 HD2 PRO 67 2HD PRO 67 7.342 -1.250 -10.563 505 HD3 PRO 67 1HD PRO 67 5.665 -1.106 -11.070 506 H VAL 68 H VAL 68 3.994 -2.926 -6.423 507 HA VAL 68 HA VAL 68 6.045 -2.412 -4.433 508 HB VAL 68 HB VAL 68 4.271 -2.599 -2.769 509 HG11 VAL 68 1HG1 VAL 68 3.534 -0.889 -5.143 510 HG12 VAL 68 2HG1 VAL 68 4.551 -0.431 -3.777 511 HG13 VAL 68 3HG1 VAL 68 2.830 -0.722 -3.534 512 HG21 VAL 68 3HG2 VAL 68 2.968 -4.372 -3.805 513 HG22 VAL 68 1HG2 VAL 68 2.469 -3.270 -5.088 514 HG23 VAL 68 2HG2 VAL 68 1.948 -2.984 -3.427 515 H HIS 69 H HIS 69 4.824 -4.834 -6.161 516 HA HIS 69 HA HIS 69 4.635 -7.065 -4.607 517 HB2 HIS 69 2HB HIS 69 5.348 -6.437 -7.442 518 HB3 HIS 69 1HB HIS 69 5.357 -8.074 -6.875 519 HD2 HIS 69 2HD HIS 69 2.570 -5.736 -5.585 520 HE1 HIS 69 1HE HIS 69 0.898 -8.438 -8.384 521 HE2 HIS 69 2HE HIS 69 0.395 -6.826 -6.501 522 H GLY 70 H GLY 70 6.215 -7.331 -3.055 523 HA2 GLY 70 2HA GLY 70 8.212 -8.705 -2.736 524 HA3 GLY 70 1HA GLY 70 8.930 -7.861 -4.099 525 H LEU 71 H LEU 71 7.520 -5.381 -2.766 526 HA LEU 71 HA LEU 71 9.904 -4.474 -1.451 527 HB2 LEU 71 2HB LEU 71 7.170 -3.213 -1.683 528 HB3 LEU 71 1HB LEU 71 8.563 -2.424 -0.973 529 HG LEU 71 HG LEU 71 8.159 -3.184 -3.866 530 HD11 LEU 71 1HD1 LEU 71 7.059 -1.138 -3.185 531 HD12 LEU 71 2HD1 LEU 71 8.450 -0.761 -4.201 532 HD13 LEU 71 3HD1 LEU 71 8.550 -0.545 -2.451 533 HD21 LEU 71 3HD2 LEU 71 10.454 -3.685 -3.360 534 HD22 LEU 71 1HD2 LEU 71 10.642 -2.165 -2.484 535 HD23 LEU 71 2HD2 LEU 71 10.397 -2.153 -4.230 536 H VAL 72 H VAL 72 10.210 -4.031 0.734 537 HA VAL 72 HA VAL 72 8.641 -5.647 2.532 538 HB VAL 72 HB VAL 72 11.249 -4.951 2.523 539 HG11 VAL 72 1HG1 VAL 72 10.571 -2.591 3.175 540 HG12 VAL 72 2HG1 VAL 72 11.830 -3.361 4.137 541 HG13 VAL 72 3HG1 VAL 72 10.184 -3.257 4.760 542 HG21 VAL 72 3HG2 VAL 72 9.684 -5.617 5.010 543 HG22 VAL 72 1HG2 VAL 72 11.402 -5.900 4.739 544 HG23 VAL 72 2HG2 VAL 72 10.205 -6.774 3.785 545 H HIS 73 H HIS 73 7.956 -4.634 4.687 546 HA HIS 73 HA HIS 73 5.787 -3.006 4.424 547 HB2 HIS 73 2HB HIS 73 6.799 -4.296 6.490 548 HB3 HIS 73 1HB HIS 73 7.459 -2.726 6.888 549 HD1 HIS 73 1HD HIS 73 4.574 -4.727 7.532 550 HD2 HIS 73 2HD HIS 73 5.288 -0.680 6.962 551 HE1 HIS 73 1HE HIS 73 2.596 -3.518 8.529 552 H THR 74 H THR 74 9.023 -1.940 5.353 553 HA THR 74 HA THR 74 8.224 0.815 5.437 554 HB THR 74 HB THR 74 10.415 1.256 6.248 555 HG1 THR 74 1HG THR 74 11.550 -1.203 6.053 556 HG21 THR 74 3HG2 THR 74 9.002 0.110 7.846 557 HG22 THR 74 1HG2 THR 74 10.657 -0.481 8.023 558 HG23 THR 74 2HG2 THR 74 9.453 -1.462 7.174 559 H GLU 75 H GLU 75 9.309 -1.259 2.964 560 HA GLU 75 HA GLU 75 10.834 0.617 1.476 561 HB2 GLU 75 2HB GLU 75 9.650 -2.055 0.926 562 HB3 GLU 75 1HB GLU 75 10.142 -1.054 -0.430 563 HG2 GLU 75 2HG GLU 75 12.382 -0.831 0.791 564 HG3 GLU 75 1HG GLU 75 11.830 -2.201 1.752 565 H VAL 76 H VAL 76 7.421 -0.399 1.366 566 HA VAL 76 HA VAL 76 6.770 1.190 -0.887 567 HB VAL 76 HB VAL 76 4.396 1.070 0.002 568 HG11 VAL 76 1HG1 VAL 76 5.842 -1.537 -0.349 569 HG12 VAL 76 2HG1 VAL 76 5.387 -0.449 -1.661 570 HG13 VAL 76 3HG1 VAL 76 4.138 -1.215 -0.678 571 HG21 VAL 76 3HG2 VAL 76 4.196 0.629 2.195 572 HG22 VAL 76 1HG2 VAL 76 5.812 -0.090 2.281 573 HG23 VAL 76 2HG2 VAL 76 4.452 -1.054 1.707 574 H VAL 77 H VAL 77 6.545 1.726 2.570 575 HA VAL 77 HA VAL 77 5.514 4.260 2.695 576 HB VAL 77 HB VAL 77 7.667 3.037 4.393 577 HG11 VAL 77 1HG1 VAL 77 6.030 5.513 4.796 578 HG12 VAL 77 2HG1 VAL 77 7.783 5.340 4.845 579 HG13 VAL 77 3HG1 VAL 77 6.793 4.658 6.136 580 HG21 VAL 77 3HG2 VAL 77 6.010 2.179 5.766 581 HG22 VAL 77 1HG2 VAL 77 5.346 1.937 4.153 582 HG23 VAL 77 2HG2 VAL 77 4.785 3.284 5.143 583 H GLU 78 H GLU 78 8.919 3.320 2.395 584 HA GLU 78 HA GLU 78 10.010 5.884 2.219 585 HB2 GLU 78 2HB GLU 78 10.916 3.204 1.214 586 HB3 GLU 78 1HB GLU 78 11.866 4.656 0.920 587 HG2 GLU 78 2HG GLU 78 11.897 5.051 3.368 588 HG3 GLU 78 1HG GLU 78 11.098 3.495 3.584 589 H LEU 79 H LEU 79 8.908 3.696 -0.335 590 HA LEU 79 HA LEU 79 9.588 5.189 -2.573 591 HB2 LEU 79 2HB LEU 79 8.040 2.908 -2.024 592 HB3 LEU 79 1HB LEU 79 6.968 3.998 -2.880 593 HG LEU 79 HG LEU 79 8.038 2.458 -4.427 594 HD11 LEU 79 1HD1 LEU 79 7.527 4.750 -5.181 595 HD12 LEU 79 2HD1 LEU 79 8.895 4.035 -6.031 596 HD13 LEU 79 3HD1 LEU 79 9.174 5.230 -4.764 597 HD21 LEU 79 3HD2 LEU 79 10.075 2.086 -3.048 598 HD22 LEU 79 1HD2 LEU 79 10.669 3.660 -3.579 599 HD23 LEU 79 2HD2 LEU 79 10.407 2.373 -4.755 600 H ILE 80 H ILE 80 6.775 5.419 -0.473 601 HA ILE 80 HA ILE 80 5.453 7.427 -1.990 602 HB ILE 80 HB ILE 80 5.096 6.312 0.776 603 HG12 ILE 80 2HG1 ILE 80 3.018 6.322 -1.361 604 HG13 ILE 80 1HG1 ILE 80 4.399 5.247 -1.562 605 HG21 ILE 80 1HG2 ILE 80 2.894 7.653 0.661 606 HG22 ILE 80 2HG2 ILE 80 3.774 8.667 -0.484 607 HG23 ILE 80 3HG2 ILE 80 4.376 8.467 1.158 608 HD11 ILE 80 3HD1 ILE 80 2.581 4.069 -0.537 609 HD12 ILE 80 1HD1 ILE 80 2.464 5.284 0.733 610 HD13 ILE 80 2HD1 ILE 80 3.891 4.253 0.630 611 H LEU 81 H LEU 81 7.325 7.476 1.051 612 HA LEU 81 HA LEU 81 7.156 10.215 1.550 613 HB2 LEU 81 2HB LEU 81 9.418 8.328 2.199 614 HB3 LEU 81 1HB LEU 81 9.200 9.921 2.897 615 HG LEU 81 HG LEU 81 7.265 7.628 3.233 616 HD11 LEU 81 1HD1 LEU 81 9.394 7.182 4.345 617 HD12 LEU 81 2HD1 LEU 81 8.116 7.502 5.517 618 HD13 LEU 81 3HD1 LEU 81 9.307 8.749 5.147 619 HD21 LEU 81 3HD2 LEU 81 7.411 10.383 4.437 620 HD22 LEU 81 1HD2 LEU 81 6.356 9.099 5.027 621 HD23 LEU 81 2HD2 LEU 81 6.143 9.738 3.397 622 H LYS 82 H LYS 82 9.472 8.380 -0.370 623 HA LYS 82 HA LYS 82 11.293 10.394 -0.981 624 HB2 LYS 82 2HB LYS 82 11.342 7.861 -1.401 625 HB3 LYS 82 1HB LYS 82 10.551 8.285 -2.891 626 HG2 LYS 82 2HG LYS 82 12.532 9.967 -3.137 627 HG3 LYS 82 1HG LYS 82 13.323 8.846 -2.029 628 HD2 LYS 82 2HD LYS 82 11.947 7.921 -4.530 629 HD3 LYS 82 1HD LYS 82 13.635 8.433 -4.528 630 HE2 LYS 82 2HE LYS 82 13.938 6.740 -2.623 631 HE3 LYS 82 1HE LYS 82 12.373 6.102 -3.118 632 HZ1 LYS 82 3HZ LYS 82 13.312 5.818 -5.372 633 HZ2 LYS 82 1HZ LYS 82 14.089 4.873 -4.206 634 HZ3 LYS 82 2HZ LYS 82 14.825 6.281 -4.779 635 H SER 83 H SER 83 8.299 9.472 -2.535 636 HA SER 83 HA SER 83 8.433 10.856 -4.906 637 HB2 SER 83 2HB SER 83 6.597 9.302 -4.084 638 HB3 SER 83 1HB SER 83 5.920 10.693 -3.239 639 HG SER 83 HG SER 83 5.201 11.449 -5.068 640 H GLY 84 H GLY 84 7.336 12.152 -1.754 641 HA2 GLY 84 2HA GLY 84 8.248 14.462 -1.381 642 HA3 GLY 84 1HA GLY 84 7.602 14.833 -2.964 643 H ASN 85 H ASN 85 6.034 16.212 -2.676 644 HA ASN 85 HA ASN 85 4.414 16.311 -0.327 645 HB2 ASN 85 2HB ASN 85 3.266 18.156 -1.435 646 HB3 ASN 85 1HB ASN 85 5.009 18.333 -1.583 647 HD21 ASN 85 1HD2 ASN 85 5.983 18.090 -3.584 648 HD22 ASN 85 2HD2 ASN 85 5.076 18.110 -5.055 649 H LYS 86 H LYS 86 4.261 14.339 -3.001 650 HA LYS 86 HA LYS 86 1.639 13.426 -2.294 651 HB2 LYS 86 2HB LYS 86 0.765 13.658 -4.566 652 HB3 LYS 86 1HB LYS 86 0.995 15.185 -3.781 653 HG2 LYS 86 2HG LYS 86 2.871 15.709 -5.103 654 HG3 LYS 86 1HG LYS 86 3.024 14.043 -5.670 655 HD2 LYS 86 2HD LYS 86 0.947 14.250 -6.911 656 HD3 LYS 86 1HD LYS 86 0.710 15.883 -6.287 657 HE2 LYS 86 2HE LYS 86 1.572 16.099 -8.489 658 HE3 LYS 86 1HE LYS 86 2.880 16.509 -7.382 659 HZ1 LYS 86 3HZ LYS 86 3.852 14.360 -7.725 660 HZ2 LYS 86 1HZ LYS 86 3.567 15.063 -9.236 661 HZ3 LYS 86 2HZ LYS 86 2.540 13.851 -8.662 662 H VAL 87 H VAL 87 0.970 11.687 -3.949 663 HA VAL 87 HA VAL 87 3.070 10.306 -5.319 664 HB VAL 87 HB VAL 87 3.710 9.857 -2.972 665 HG11 VAL 87 1HG1 VAL 87 1.029 8.503 -2.878 666 HG12 VAL 87 2HG1 VAL 87 1.634 9.798 -1.842 667 HG13 VAL 87 3HG1 VAL 87 2.318 8.178 -1.722 668 HG21 VAL 87 3HG2 VAL 87 4.565 8.281 -4.433 669 HG22 VAL 87 1HG2 VAL 87 2.974 7.606 -4.796 670 HG23 VAL 87 2HG2 VAL 87 3.728 7.297 -3.234 671 H ALA 88 H ALA 88 2.386 8.591 -6.531 672 HA ALA 88 HA ALA 88 -0.501 8.303 -6.870 673 HB1 ALA 88 1HB ALA 88 0.774 8.795 -8.857 674 HB2 ALA 88 2HB ALA 88 0.089 7.173 -8.978 675 HB3 ALA 88 3HB ALA 88 1.796 7.385 -8.584 676 H ILE 89 H ILE 89 -1.238 6.876 -5.350 677 HA ILE 89 HA ILE 89 0.138 4.313 -5.066 678 HB ILE 89 HB ILE 89 -0.493 5.257 -2.969 679 HG12 ILE 89 2HG1 ILE 89 -2.612 3.182 -3.462 680 HG13 ILE 89 1HG1 ILE 89 -0.900 2.771 -3.418 681 HG21 ILE 89 1HG2 ILE 89 -2.233 6.778 -3.737 682 HG22 ILE 89 2HG2 ILE 89 -2.783 5.817 -2.363 683 HG23 ILE 89 3HG2 ILE 89 -3.319 5.413 -3.994 684 HD11 ILE 89 3HD1 ILE 89 -2.211 2.469 -1.280 685 HD12 ILE 89 1HD1 ILE 89 -2.262 4.226 -1.181 686 HD13 ILE 89 2HD1 ILE 89 -0.711 3.386 -1.160 687 H SER 90 H SER 90 -0.369 2.726 -6.444 688 HA SER 90 HA SER 90 -2.958 2.789 -7.800 689 HB2 SER 90 2HB SER 90 -0.471 2.295 -8.738 690 HB3 SER 90 1HB SER 90 -1.002 0.648 -8.409 691 HG SER 90 HG SER 90 -2.791 2.319 -9.751 692 H THR 91 H THR 91 -4.598 1.780 -6.854 693 HA THR 91 HA THR 91 -4.054 -0.669 -5.323 694 HB THR 91 HB THR 91 -6.187 -0.280 -4.184 695 HG1 THR 91 1HG THR 91 -7.542 1.227 -4.796 696 HG21 THR 91 3HG2 THR 91 -4.361 2.125 -4.158 697 HG22 THR 91 1HG2 THR 91 -4.175 0.656 -3.196 698 HG23 THR 91 2HG2 THR 91 -5.551 1.724 -2.914 699 H THR 92 H THR 92 -6.224 -2.101 -5.296 700 HA THR 92 HA THR 92 -6.731 -2.599 -8.151 701 HB THR 92 HB THR 92 -5.631 -4.467 -7.181 702 HG1 THR 92 1HG THR 92 -8.286 -4.696 -7.912 703 HG21 THR 92 3HG2 THR 92 -6.508 -5.681 -5.235 704 HG22 THR 92 1HG2 THR 92 -7.757 -4.453 -5.041 705 HG23 THR 92 2HG2 THR 92 -6.059 -4.025 -4.828 706 HA PRO 93 HA PRO 93 -10.924 -1.045 -7.196 707 HB2 PRO 93 2HB PRO 93 -11.124 -1.835 -10.059 708 HB3 PRO 93 1HB PRO 93 -11.705 -0.372 -9.254 709 HG2 PRO 93 2HG PRO 93 -9.503 -0.318 -10.755 710 HG3 PRO 93 1HG PRO 93 -9.600 0.607 -9.251 711 HD2 PRO 93 2HD PRO 93 -8.119 -1.884 -9.832 712 HD3 PRO 93 1HD PRO 93 -7.713 -0.568 -8.727 713 H LEU 94 H LEU 94 -13.076 -1.986 -7.633 714 HA LEU 94 HA LEU 94 -13.235 -4.663 -6.789 715 HB2 LEU 94 2HB LEU 94 -15.682 -3.911 -8.011 716 HB3 LEU 94 1HB LEU 94 -15.308 -4.011 -6.316 717 HG LEU 94 HG LEU 94 -14.340 -1.628 -6.604 718 HD11 LEU 94 1HD1 LEU 94 -14.317 -1.279 -8.876 719 HD12 LEU 94 2HD1 LEU 94 -15.818 -0.483 -8.396 720 HD13 LEU 94 3HD1 LEU 94 -15.862 -2.094 -9.109 721 HD21 LEU 94 3HD2 LEU 94 -16.285 -2.090 -5.266 722 HD22 LEU 94 1HD2 LEU 94 -17.291 -2.222 -6.709 723 HD23 LEU 94 2HD2 LEU 94 -16.589 -0.668 -6.263 724 H GLU 95 H GLU 95 -14.272 -6.451 -7.929 725 HA GLU 95 HA GLU 95 -14.449 -6.377 -10.791 726 HB2 GLU 95 2HB GLU 95 -12.649 -7.795 -11.352 727 HB3 GLU 95 1HB GLU 95 -11.960 -6.595 -10.271 728 HG2 GLU 95 2HG GLU 95 -12.890 -9.267 -9.270 729 HG3 GLU 95 1HG GLU 95 -11.284 -9.036 -9.954 730 H ASN 96 H ASN 96 -15.077 -8.466 -11.698 731 HA ASN 96 HA ASN 96 -16.868 -9.851 -9.906 732 HB2 ASN 96 2HB ASN 96 -17.877 -10.788 -11.806 733 HB3 ASN 96 1HB ASN 96 -17.379 -9.193 -12.349 734 HD21 ASN 96 1HD2 ASN 96 -15.681 -9.003 -13.808 735 HD22 ASN 96 2HD2 ASN 96 -15.112 -10.350 -14.737 736 H1 SER 101 1HT SER 101 -5.513 -16.561 3.153 737 H2 SER 101 2HT SER 101 -6.859 -15.857 3.895 738 H3 SER 101 3HT SER 101 -5.364 -15.853 4.679 739 HA SER 101 HA SER 101 -5.931 -14.477 2.126 740 HB2 SER 101 2HB SER 101 -5.565 -13.205 4.842 741 HB3 SER 101 1HB SER 101 -6.089 -12.430 3.347 742 HG SER 101 HG SER 101 -8.044 -13.381 3.515 743 H TRP 102 H TRP 102 -3.764 -14.648 4.967 744 HA TRP 102 HA TRP 102 -1.466 -14.603 3.192 745 HB2 TRP 102 2HB TRP 102 -0.352 -12.794 4.479 746 HB3 TRP 102 1HB TRP 102 -1.775 -12.226 3.616 747 HD1 TRP 102 HD TRP 102 -0.607 -13.057 7.200 748 HE1 TRP 102 1HE TRP 102 -2.096 -11.769 8.859 749 HE3 TRP 102 3HE TRP 102 -3.968 -11.076 3.902 750 HZ2 TRP 102 2HZ TRP 102 -4.379 -10.120 8.771 751 HZ3 TRP 102 3HZ TRP 102 -5.770 -9.652 4.781 752 HH2 TRP 102 HH TRP 102 -5.976 -9.189 7.159 753 H GLU 103 H GLU 103 0.383 -15.519 4.141 754 HA GLU 103 HA GLU 103 -0.230 -17.136 6.485 755 HB2 GLU 103 2HB GLU 103 1.959 -17.213 4.422 756 HB3 GLU 103 1HB GLU 103 2.054 -18.166 5.894 757 HG2 GLU 103 2HG GLU 103 1.209 -19.516 4.082 758 HG3 GLU 103 1HG GLU 103 -0.046 -19.283 5.297 759 H SER 104 H SER 104 1.638 -14.376 5.601 760 HA SER 104 HA SER 104 2.586 -14.171 8.366 761 HB2 SER 104 2HB SER 104 4.361 -13.291 6.108 762 HB3 SER 104 1HB SER 104 4.795 -13.674 7.772 763 HG SER 104 HG SER 104 4.129 -15.899 7.190 764 H HIS 105 H HIS 105 2.776 -12.054 9.137 765 HA HIS 105 HA HIS 105 1.492 -10.018 7.431 766 HB2 HIS 105 2HB HIS 105 0.084 -10.745 9.309 767 HB3 HIS 105 1HB HIS 105 1.367 -10.337 10.439 768 HD2 HIS 105 2HD HIS 105 -1.391 -8.631 8.317 769 HE1 HIS 105 1HE HIS 105 0.363 -5.753 10.874 770 HE2 HIS 105 2HE HIS 105 -1.660 -6.321 9.460 771 H LYS 106 H LYS 106 3.234 -9.896 10.519 772 HA LYS 106 HA LYS 106 4.473 -7.458 10.114 773 HB2 LYS 106 2HB LYS 106 5.040 -9.808 11.874 774 HB3 LYS 106 1HB LYS 106 6.189 -8.480 11.820 775 HG2 LYS 106 2HG LYS 106 4.537 -6.930 12.585 776 HG3 LYS 106 1HG LYS 106 3.263 -8.143 12.441 777 HD2 LYS 106 2HD LYS 106 4.143 -9.411 14.245 778 HD3 LYS 106 1HD LYS 106 5.647 -8.489 14.246 779 HE2 LYS 106 2HE LYS 106 4.266 -7.804 16.105 780 HE3 LYS 106 1HE LYS 106 4.400 -6.488 14.940 781 HZ1 LYS 106 3HZ LYS 106 2.121 -8.279 14.641 782 HZ2 LYS 106 1HZ LYS 106 2.216 -6.600 14.424 783 HZ3 LYS 106 2HZ LYS 106 2.104 -7.252 15.981 784 H SER 107 H SER 107 5.814 -6.892 8.569 785 HA SER 107 HA SER 107 8.080 -8.628 7.923 786 HB2 SER 107 2HB SER 107 6.494 -7.254 5.746 787 HB3 SER 107 1HB SER 107 7.724 -8.507 5.574 788 HG SER 107 HG SER 107 5.141 -8.814 6.748 789 H GLY 108 H GLY 108 8.822 -6.839 9.459 790 HA2 GLY 108 2HA GLY 108 10.642 -5.248 9.130 791 HA3 GLY 108 1HA GLY 108 9.689 -4.519 7.843 792 H GLY 109 H GLY 109 7.742 -5.449 10.392 793 HA2 GLY 109 2HA GLY 109 7.366 -4.208 12.457 794 HA3 GLY 109 1HA GLY 109 7.883 -2.763 11.600 795 H GLU 110 H GLU 110 5.915 -1.774 12.251 796 HA GLU 110 HA GLU 110 3.664 -2.445 10.478 797 HB2 GLU 110 2HB GLU 110 3.359 -1.641 13.386 798 HB3 GLU 110 1HB GLU 110 2.068 -2.051 12.268 799 HG2 GLU 110 2HG GLU 110 3.031 -4.345 12.108 800 HG3 GLU 110 1HG GLU 110 4.155 -3.899 13.389 801 H THR 111 H THR 111 5.164 -0.672 9.523 802 HA THR 111 HA THR 111 4.941 1.981 10.542 803 HB THR 111 HB THR 111 5.578 1.555 7.675 804 HG1 THR 111 1HG THR 111 7.692 0.877 9.300 805 HG21 THR 111 3HG2 THR 111 6.962 2.990 9.947 806 HG22 THR 111 1HG2 THR 111 5.937 3.728 8.718 807 HG23 THR 111 2HG2 THR 111 7.487 3.016 8.262 808 H ARG 112 H ARG 112 4.186 3.717 8.819 809 HA ARG 112 HA ARG 112 1.918 3.030 7.224 810 HB2 ARG 112 2HB ARG 112 0.324 4.484 8.510 811 HB3 ARG 112 1HB ARG 112 0.738 2.968 9.292 812 HG2 ARG 112 2HG ARG 112 2.518 4.369 10.536 813 HG3 ARG 112 1HG ARG 112 1.545 5.748 10.025 814 HD2 ARG 112 2HD ARG 112 -0.433 4.359 10.983 815 HD3 ARG 112 1HD ARG 112 0.829 3.489 11.849 816 HE ARG 112 HE ARG 112 1.337 6.128 12.354 817 HH11 ARG 112 1HH1 ARG 112 -1.379 3.967 12.797 818 HH12 ARG 112 2HH1 ARG 112 -2.017 4.835 14.156 819 HH21 ARG 112 1HH2 ARG 112 0.493 7.286 14.144 820 HH22 ARG 112 2HH2 ARG 112 -0.951 6.723 14.920 821 H LEU 113 H LEU 113 0.829 5.153 6.443 822 HA LEU 113 HA LEU 113 2.986 7.087 5.948 823 HB2 LEU 113 2HB LEU 113 0.648 6.179 4.293 824 HB3 LEU 113 1HB LEU 113 1.442 7.704 3.968 825 HG LEU 113 HG LEU 113 2.374 6.149 2.458 826 HD11 LEU 113 1HD1 LEU 113 4.008 7.611 3.546 827 HD12 LEU 113 2HD1 LEU 113 4.703 6.066 3.057 828 HD13 LEU 113 3HD1 LEU 113 4.305 6.358 4.749 829 HD21 LEU 113 3HD2 LEU 113 3.315 4.005 3.119 830 HD22 LEU 113 1HD2 LEU 113 1.606 4.109 3.541 831 HD23 LEU 113 2HD2 LEU 113 2.837 4.302 4.789 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -9.818 -11.983 -12.197 2 H2 GLY 1 2HT GLY 1 -9.359 -11.245 -13.647 3 H3 GLY 1 3HT GLY 1 -10.974 -11.212 -13.158 4 HA2 GLY 1 1HA GLY 1 -10.466 -9.816 -11.300 5 HA3 GLY 1 2HA GLY 1 -8.754 -9.931 -11.678 6 H GLY 2 H GLY 2 -7.927 -8.275 -12.750 7 HA2 GLY 2 2HA GLY 2 -9.179 -7.081 -15.001 8 HA3 GLY 2 1HA GLY 2 -9.357 -6.057 -13.583 9 H SER 3 H SER 3 -8.050 -4.802 -15.378 10 HA SER 3 HA SER 3 -5.262 -4.937 -14.505 11 HB2 SER 3 2HB SER 3 -5.981 -5.918 -16.952 12 HB3 SER 3 1HB SER 3 -5.617 -4.238 -17.349 13 HG SER 3 HG SER 3 -3.930 -6.192 -16.185 14 H MET 4 H MET 4 -4.154 -2.888 -15.730 15 HA MET 4 HA MET 4 -3.905 -0.636 -15.628 16 HB2 MET 4 2HB MET 4 -5.649 -0.939 -17.477 17 HB3 MET 4 1HB MET 4 -6.837 -0.433 -16.286 18 HG2 MET 4 2HG MET 4 -5.544 1.674 -15.988 19 HG3 MET 4 1HG MET 4 -4.509 1.167 -17.322 20 HE1 MET 4 3HE MET 4 -8.477 0.950 -16.782 21 HE2 MET 4 1HE MET 4 -8.911 2.451 -17.598 22 HE3 MET 4 2HE MET 4 -7.897 2.493 -16.157 23 H ARG 5 H ARG 5 -3.693 -1.051 -13.267 24 HA ARG 5 HA ARG 5 -5.866 -0.441 -11.526 25 HB2 ARG 5 2HB ARG 5 -2.886 -0.607 -11.059 26 HB3 ARG 5 1HB ARG 5 -4.043 -0.272 -9.779 27 HG2 ARG 5 2HG ARG 5 -3.716 -2.540 -9.564 28 HG3 ARG 5 1HG ARG 5 -5.174 -2.471 -10.559 29 HD2 ARG 5 2HD ARG 5 -3.732 -2.713 -12.569 30 HD3 ARG 5 1HD ARG 5 -2.346 -2.933 -11.503 31 HE ARG 5 HE ARG 5 -4.275 -4.794 -10.758 32 HH11 ARG 5 1HH1 ARG 5 -2.316 -4.068 -13.559 33 HH12 ARG 5 2HH1 ARG 5 -2.181 -5.724 -14.054 34 HH21 ARG 5 1HH2 ARG 5 -4.129 -6.978 -11.423 35 HH22 ARG 5 2HH2 ARG 5 -3.235 -7.375 -12.856 36 HA PRO 6 HA PRO 6 -5.395 3.971 -11.961 37 HB2 PRO 6 2HB PRO 6 -7.496 4.420 -10.083 38 HB3 PRO 6 1HB PRO 6 -7.614 4.392 -11.843 39 HG2 PRO 6 2HG PRO 6 -8.788 2.522 -10.183 40 HG3 PRO 6 1HG PRO 6 -8.381 2.240 -11.878 41 HD2 PRO 6 2HD PRO 6 -6.856 1.517 -9.402 42 HD3 PRO 6 1HD PRO 6 -7.217 0.536 -10.838 43 HA PRO 7 HA PRO 7 -2.963 4.616 -8.161 44 HB2 PRO 7 2HB PRO 7 -1.835 6.849 -9.643 45 HB3 PRO 7 1HB PRO 7 -1.022 5.458 -8.933 46 HG2 PRO 7 2HG PRO 7 -1.282 5.784 -11.595 47 HG3 PRO 7 1HG PRO 7 -1.273 4.184 -10.831 48 HD2 PRO 7 2HD PRO 7 -3.596 5.791 -11.840 49 HD3 PRO 7 1HD PRO 7 -3.311 4.040 -11.939 50 H ILE 8 H ILE 8 -3.814 5.660 -6.567 51 HA ILE 8 HA ILE 8 -5.406 8.040 -6.998 52 HB ILE 8 HB ILE 8 -4.822 6.844 -4.315 53 HG12 ILE 8 2HG1 ILE 8 -7.042 5.829 -6.044 54 HG13 ILE 8 1HG1 ILE 8 -5.455 5.123 -6.148 55 HG21 ILE 8 1HG2 ILE 8 -6.169 8.947 -4.654 56 HG22 ILE 8 2HG2 ILE 8 -6.977 7.654 -3.767 57 HG23 ILE 8 3HG2 ILE 8 -7.365 7.932 -5.460 58 HD11 ILE 8 3HD1 ILE 8 -6.849 5.380 -3.535 59 HD12 ILE 8 1HD1 ILE 8 -5.530 4.302 -3.986 60 HD13 ILE 8 2HD1 ILE 8 -7.154 4.019 -4.614 61 H ILE 9 H ILE 9 -4.300 9.873 -7.161 62 HA ILE 9 HA ILE 9 -1.695 10.147 -6.022 63 HB ILE 9 HB ILE 9 -3.266 12.482 -7.030 64 HG12 ILE 9 2HG1 ILE 9 -3.527 10.572 -8.648 65 HG13 ILE 9 1HG1 ILE 9 -2.734 11.991 -9.312 66 HG21 ILE 9 1HG2 ILE 9 -1.091 12.912 -6.063 67 HG22 ILE 9 2HG2 ILE 9 -1.038 13.201 -7.801 68 HG23 ILE 9 3HG2 ILE 9 -0.350 11.719 -7.132 69 HD11 ILE 9 3HD1 ILE 9 -1.593 10.067 -10.098 70 HD12 ILE 9 1HD1 ILE 9 -1.462 9.406 -8.468 71 HD13 ILE 9 2HD1 ILE 9 -0.555 10.853 -8.909 72 H ILE 10 H ILE 10 -1.685 10.135 -3.821 73 HA ILE 10 HA ILE 10 -3.551 11.712 -2.284 74 HB ILE 10 HB ILE 10 -0.884 10.611 -1.322 75 HG12 ILE 10 2HG1 ILE 10 -3.258 9.209 -0.405 76 HG13 ILE 10 1HG1 ILE 10 -2.974 9.018 -2.105 77 HG21 ILE 10 1HG2 ILE 10 -2.275 10.603 0.871 78 HG22 ILE 10 2HG2 ILE 10 -3.269 11.788 0.026 79 HG23 ILE 10 3HG2 ILE 10 -1.555 12.106 0.295 80 HD11 ILE 10 3HD1 ILE 10 -0.732 8.222 -1.670 81 HD12 ILE 10 1HD1 ILE 10 -1.944 7.248 -0.836 82 HD13 ILE 10 2HD1 ILE 10 -1.011 8.449 0.055 83 H HIS 11 H HIS 11 -2.805 13.537 -0.950 84 HA HIS 11 HA HIS 11 -0.397 14.855 -1.931 85 HB2 HIS 11 2HB HIS 11 -2.237 15.862 -3.211 86 HB3 HIS 11 1HB HIS 11 -3.130 16.167 -1.725 87 HD2 HIS 11 2HD HIS 11 0.587 17.154 -2.661 88 HE1 HIS 11 1HE HIS 11 -1.552 20.546 -1.318 89 HE2 HIS 11 2HE HIS 11 0.744 19.619 -1.863 90 H ARG 12 H ARG 12 0.791 14.965 -0.170 91 HA ARG 12 HA ARG 12 -0.226 14.797 2.451 92 HB2 ARG 12 2HB ARG 12 2.061 14.138 1.766 93 HB3 ARG 12 1HB ARG 12 2.455 15.835 1.523 94 HG2 ARG 12 2HG ARG 12 2.177 16.293 3.855 95 HG3 ARG 12 1HG ARG 12 1.597 14.651 4.148 96 HD2 ARG 12 2HD ARG 12 3.741 13.754 3.466 97 HD3 ARG 12 1HD ARG 12 4.319 15.377 3.105 98 HE ARG 12 HE ARG 12 3.442 14.785 5.843 99 HH11 ARG 12 1HH1 ARG 12 6.078 15.409 3.608 100 HH12 ARG 12 2HH1 ARG 12 7.208 15.807 4.863 101 HH21 ARG 12 1HH2 ARG 12 4.938 15.297 7.487 102 HH22 ARG 12 2HH2 ARG 12 6.562 15.739 7.065 103 H ALA 13 H ALA 13 -1.587 16.322 3.162 104 HA ALA 13 HA ALA 13 -1.273 19.107 2.531 105 HB1 ALA 13 1HB ALA 13 -3.271 19.430 3.845 106 HB2 ALA 13 2HB ALA 13 -3.119 17.816 4.540 107 HB3 ALA 13 3HB ALA 13 -3.482 18.007 2.825 108 H GLY 14 H GLY 14 1.067 18.422 3.635 109 HA2 GLY 14 2HA GLY 14 2.518 19.383 5.170 110 HA3 GLY 14 1HA GLY 14 1.133 20.010 6.052 111 H LYS 15 H LYS 15 -0.222 17.535 6.380 112 HA LYS 15 HA LYS 15 1.309 16.505 8.597 113 HB2 LYS 15 2HB LYS 15 -0.886 14.993 8.690 114 HB3 LYS 15 1HB LYS 15 -0.836 16.634 9.317 115 HG2 LYS 15 2HG LYS 15 -1.876 17.481 7.311 116 HG3 LYS 15 1HG LYS 15 -1.822 15.880 6.570 117 HD2 LYS 15 2HD LYS 15 -4.044 16.287 7.401 118 HD3 LYS 15 1HD LYS 15 -3.277 15.047 8.391 119 HE2 LYS 15 2HE LYS 15 -2.768 16.698 10.102 120 HE3 LYS 15 1HE LYS 15 -3.476 17.967 9.107 121 HZ1 LYS 15 3HZ LYS 15 -4.942 15.634 10.210 122 HZ2 LYS 15 1HZ LYS 15 -5.619 16.882 9.289 123 HZ3 LYS 15 2HZ LYS 15 -4.998 17.205 10.828 124 H LYS 16 H LYS 16 -0.707 14.453 6.525 125 HA LYS 16 HA LYS 16 1.602 12.983 5.571 126 HB2 LYS 16 2HB LYS 16 0.572 10.831 6.568 127 HB3 LYS 16 1HB LYS 16 1.534 11.864 7.608 128 HG2 LYS 16 2HG LYS 16 -0.589 12.887 8.431 129 HG3 LYS 16 1HG LYS 16 -1.462 11.667 7.503 130 HD2 LYS 16 2HD LYS 16 -0.949 10.011 8.946 131 HD3 LYS 16 1HD LYS 16 0.660 10.652 9.270 132 HE2 LYS 16 2HE LYS 16 -0.623 10.798 11.285 133 HE3 LYS 16 1HE LYS 16 -0.391 12.426 10.657 134 HZ1 LYS 16 3HZ LYS 16 -2.714 11.673 11.463 135 HZ2 LYS 16 1HZ LYS 16 -2.828 10.939 9.942 136 HZ3 LYS 16 2HZ LYS 16 -2.585 12.611 10.062 137 H TYR 17 H TYR 17 0.549 10.693 4.673 138 HA TYR 17 HA TYR 17 -1.367 11.622 2.682 139 HB2 TYR 17 2HB TYR 17 -0.044 8.910 2.806 140 HB3 TYR 17 1HB TYR 17 -0.829 9.664 1.400 141 HD1 TYR 17 1HD TYR 17 2.167 9.691 3.560 142 HD2 TYR 17 2HD TYR 17 0.311 11.352 0.117 143 HE1 TYR 17 1HE TYR 17 4.312 10.674 2.889 144 HE2 TYR 17 2HE TYR 17 2.455 12.344 -0.570 145 HH TYR 17 HH TYR 17 4.576 12.796 0.086 146 H GLY 18 H GLY 18 -1.549 10.484 5.660 147 HA2 GLY 18 2HA GLY 18 -3.156 9.550 6.956 148 HA3 GLY 18 1HA GLY 18 -4.249 10.124 5.731 149 H PHE 19 H PHE 19 -1.911 7.468 5.737 150 HA PHE 19 HA PHE 19 -3.976 5.523 6.027 151 HB2 PHE 19 2HB PHE 19 -4.036 4.503 3.926 152 HB3 PHE 19 1HB PHE 19 -4.179 6.196 3.613 153 HD1 PHE 19 2HD PHE 19 -1.952 7.435 3.006 154 HD2 PHE 19 1HD PHE 19 -2.514 3.226 2.810 155 HE1 PHE 19 2HE PHE 19 -0.044 7.251 1.451 156 HE2 PHE 19 1HE PHE 19 -0.616 3.033 1.262 157 HZ PHE 19 HZ PHE 19 0.620 5.051 0.578 158 H THR 20 H THR 20 -3.395 3.538 6.373 159 HA THR 20 HA THR 20 -0.622 3.127 7.227 160 HB THR 20 HB THR 20 -3.124 1.492 7.698 161 HG1 THR 20 1HG THR 20 -2.855 3.663 8.696 162 HG21 THR 20 3HG2 THR 20 -1.931 0.152 9.241 163 HG22 THR 20 1HG2 THR 20 -0.518 1.215 9.187 164 HG23 THR 20 2HG2 THR 20 -0.923 0.214 7.793 165 H LEU 21 H LEU 21 0.815 2.151 5.876 166 HA LEU 21 HA LEU 21 -0.171 0.356 3.804 167 HB2 LEU 21 2HB LEU 21 1.836 2.189 3.695 168 HB3 LEU 21 1HB LEU 21 2.753 0.758 4.071 169 HG LEU 21 HG LEU 21 2.567 -0.041 1.993 170 HD11 LEU 21 1HD1 LEU 21 0.495 0.002 0.651 171 HD12 LEU 21 2HD1 LEU 21 -0.290 0.919 1.934 172 HD13 LEU 21 3HD1 LEU 21 0.265 -0.728 2.239 173 HD21 LEU 21 3HD2 LEU 21 2.365 1.620 0.290 174 HD22 LEU 21 1HD2 LEU 21 3.143 2.343 1.699 175 HD23 LEU 21 2HD2 LEU 21 1.444 2.673 1.365 176 H ARG 22 H ARG 22 -0.840 -1.328 5.173 177 HA ARG 22 HA ARG 22 0.907 -2.655 6.995 178 HB2 ARG 22 2HB ARG 22 -1.746 -2.668 6.654 179 HB3 ARG 22 1HB ARG 22 -1.363 -4.114 5.740 180 HG2 ARG 22 2HG ARG 22 -1.796 -4.938 7.847 181 HG3 ARG 22 1HG ARG 22 -0.036 -4.809 7.842 182 HD2 ARG 22 2HD ARG 22 -0.084 -2.826 9.125 183 HD3 ARG 22 1HD ARG 22 -1.819 -2.619 8.872 184 HE ARG 22 HE ARG 22 -1.387 -5.065 10.175 185 HH11 ARG 22 1HH1 ARG 22 -1.107 -1.631 10.796 186 HH12 ARG 22 2HH1 ARG 22 -1.370 -1.789 12.506 187 HH21 ARG 22 1HH2 ARG 22 -1.786 -5.271 12.408 188 HH22 ARG 22 2HH2 ARG 22 -1.785 -3.853 13.411 189 H ALA 23 H ALA 23 2.495 -4.075 6.524 190 HA ALA 23 HA ALA 23 2.865 -5.041 3.832 191 HB1 ALA 23 1HB ALA 23 4.436 -5.705 6.324 192 HB2 ALA 23 2HB ALA 23 4.777 -4.350 5.247 193 HB3 ALA 23 3HB ALA 23 4.927 -6.007 4.658 194 H ILE 24 H ILE 24 2.575 -7.147 3.100 195 HA ILE 24 HA ILE 24 1.701 -9.142 5.058 196 HB ILE 24 HB ILE 24 -0.100 -9.853 3.389 197 HG12 ILE 24 2HG1 ILE 24 0.038 -6.952 2.566 198 HG13 ILE 24 1HG1 ILE 24 0.756 -8.244 1.609 199 HG21 ILE 24 1HG2 ILE 24 -0.613 -8.965 5.572 200 HG22 ILE 24 2HG2 ILE 24 -1.732 -8.292 4.384 201 HG23 ILE 24 3HG2 ILE 24 -0.394 -7.314 4.986 202 HD11 ILE 24 3HD1 ILE 24 -1.338 -9.184 1.124 203 HD12 ILE 24 1HD1 ILE 24 -1.541 -7.444 0.924 204 HD13 ILE 24 2HD1 ILE 24 -2.142 -8.240 2.378 205 H ARG 25 H ARG 25 2.222 -11.207 4.586 206 HA ARG 25 HA ARG 25 3.865 -11.614 2.184 207 HB2 ARG 25 2HB ARG 25 3.823 -13.315 4.677 208 HB3 ARG 25 1HB ARG 25 4.990 -13.384 3.370 209 HG2 ARG 25 2HG ARG 25 5.624 -11.021 3.994 210 HG3 ARG 25 1HG ARG 25 4.673 -11.274 5.460 211 HD2 ARG 25 2HD ARG 25 7.024 -12.918 4.538 212 HD3 ARG 25 1HD ARG 25 7.002 -11.778 5.876 213 HE ARG 25 HE ARG 25 5.065 -13.899 6.109 214 HH11 ARG 25 1HH1 ARG 25 8.365 -12.931 6.765 215 HH12 ARG 25 2HH1 ARG 25 8.571 -14.065 8.062 216 HH21 ARG 25 1HH2 ARG 25 5.335 -15.396 7.798 217 HH22 ARG 25 2HH2 ARG 25 6.843 -15.473 8.653 218 H VAL 26 H VAL 26 2.299 -12.204 0.709 219 HA VAL 26 HA VAL 26 0.382 -14.263 1.368 220 HB VAL 26 HB VAL 26 -0.107 -14.129 -1.159 221 HG11 VAL 26 1HG1 VAL 26 -1.394 -12.016 -0.846 222 HG12 VAL 26 2HG1 VAL 26 -0.556 -11.794 0.690 223 HG13 VAL 26 3HG1 VAL 26 -1.604 -13.191 0.454 224 HG21 VAL 26 3HG2 VAL 26 0.617 -12.179 -2.328 225 HG22 VAL 26 1HG2 VAL 26 2.046 -13.001 -1.705 226 HG23 VAL 26 2HG2 VAL 26 1.437 -11.559 -0.894 227 H TYR 27 H TYR 27 1.280 -16.211 1.703 228 HA TYR 27 HA TYR 27 3.444 -17.170 0.039 229 HB2 TYR 27 2HB TYR 27 1.977 -18.210 2.429 230 HB3 TYR 27 1HB TYR 27 2.875 -19.342 1.425 231 HD1 TYR 27 2HD TYR 27 3.181 -16.370 3.601 232 HD2 TYR 27 1HD TYR 27 5.245 -19.428 1.488 233 HE1 TYR 27 2HE TYR 27 5.255 -15.785 4.788 234 HE2 TYR 27 1HE TYR 27 7.321 -18.851 2.666 235 HH TYR 27 HH TYR 27 8.328 -17.088 3.874 236 H MET 28 H MET 28 3.284 -19.210 -1.139 237 HA MET 28 HA MET 28 0.707 -19.375 -2.506 238 HB2 MET 28 2HB MET 28 3.384 -20.596 -3.189 239 HB3 MET 28 1HB MET 28 1.945 -20.723 -4.167 240 HG2 MET 28 2HG MET 28 3.362 -18.225 -3.479 241 HG3 MET 28 1HG MET 28 3.452 -19.060 -5.013 242 HE1 MET 28 3HE MET 28 0.530 -19.951 -5.635 243 HE2 MET 28 1HE MET 28 1.570 -19.116 -6.788 244 HE3 MET 28 2HE MET 28 -0.079 -18.550 -6.516 245 H GLY 29 H GLY 29 0.245 -20.309 -0.146 246 HA2 GLY 29 2HA GLY 29 -0.637 -22.115 0.961 247 HA3 GLY 29 1HA GLY 29 -0.467 -23.027 -0.533 248 H ASP 30 H ASP 30 0.652 -24.824 -0.181 249 HA ASP 30 HA ASP 30 2.610 -24.982 1.944 250 HB2 ASP 30 2HB ASP 30 1.017 -26.854 1.359 251 HB3 ASP 30 1HB ASP 30 1.936 -27.083 -0.124 252 H SER 31 H SER 31 3.861 -23.249 0.871 253 HA SER 31 HA SER 31 6.104 -24.374 -0.516 254 HB2 SER 31 2HB SER 31 4.419 -22.268 -1.911 255 HB3 SER 31 1HB SER 31 5.988 -22.850 -2.458 256 HG SER 31 HG SER 31 4.358 -24.939 -2.037 257 H ASP 32 H ASP 32 7.910 -22.993 -0.438 258 HA ASP 32 HA ASP 32 7.810 -21.081 1.705 259 HB2 ASP 32 2HB ASP 32 9.706 -22.684 1.357 260 HB3 ASP 32 1HB ASP 32 10.157 -21.759 -0.070 261 H VAL 33 H VAL 33 7.348 -20.895 -1.604 262 HA VAL 33 HA VAL 33 8.454 -18.296 -2.034 263 HB VAL 33 HB VAL 33 8.304 -19.747 -3.935 264 HG11 VAL 33 1HG1 VAL 33 5.311 -19.738 -3.629 265 HG12 VAL 33 2HG1 VAL 33 6.364 -21.071 -3.166 266 HG13 VAL 33 3HG1 VAL 33 6.253 -20.585 -4.856 267 HG21 VAL 33 3HG2 VAL 33 7.248 -18.313 -5.541 268 HG22 VAL 33 1HG2 VAL 33 7.991 -17.315 -4.292 269 HG23 VAL 33 2HG2 VAL 33 6.247 -17.576 -4.290 270 H TYR 34 H TYR 34 7.564 -16.414 -1.806 271 HA TYR 34 HA TYR 34 4.693 -16.078 -1.563 272 HB2 TYR 34 2HB TYR 34 4.752 -14.993 0.587 273 HB3 TYR 34 1HB TYR 34 5.492 -16.580 0.755 274 HD1 TYR 34 2HD TYR 34 8.046 -16.711 0.772 275 HD2 TYR 34 1HD TYR 34 5.918 -13.049 1.225 276 HE1 TYR 34 2HE TYR 34 10.044 -15.668 1.766 277 HE2 TYR 34 1HE TYR 34 7.905 -12.009 2.226 278 HH TYR 34 HH TYR 34 10.961 -13.295 2.012 279 H THR 35 H THR 35 4.003 -13.956 -1.939 280 HA THR 35 HA THR 35 6.097 -12.248 -3.078 281 HB THR 35 HB THR 35 3.516 -11.181 -3.592 282 HG1 THR 35 1HG THR 35 3.661 -13.833 -4.578 283 HG21 THR 35 3HG2 THR 35 5.448 -12.653 -5.386 284 HG22 THR 35 1HG2 THR 35 5.495 -10.931 -5.011 285 HG23 THR 35 2HG2 THR 35 4.141 -11.598 -5.925 286 H VAL 36 H VAL 36 6.622 -10.389 -2.120 287 HA VAL 36 HA VAL 36 5.344 -9.722 0.381 288 HB VAL 36 HB VAL 36 7.503 -8.094 -0.937 289 HG11 VAL 36 1HG1 VAL 36 8.100 -7.578 1.382 290 HG12 VAL 36 2HG1 VAL 36 6.772 -8.592 1.944 291 HG13 VAL 36 3HG1 VAL 36 6.434 -7.126 1.023 292 HG21 VAL 36 3HG2 VAL 36 8.450 -10.238 -1.013 293 HG22 VAL 36 1HG2 VAL 36 7.751 -10.696 0.542 294 HG23 VAL 36 2HG2 VAL 36 9.071 -9.526 0.476 295 H HIS 37 H HIS 37 3.353 -8.922 0.005 296 HA HIS 37 HA HIS 37 3.116 -6.578 -1.758 297 HB2 HIS 37 2HB HIS 37 1.023 -8.563 -0.841 298 HB3 HIS 37 1HB HIS 37 0.646 -7.078 -1.701 299 HD2 HIS 37 2HD HIS 37 0.121 -10.178 -2.880 300 HE1 HIS 37 1HE HIS 37 3.026 -8.928 -5.686 301 HE2 HIS 37 2HE HIS 37 1.318 -10.709 -5.115 302 H HIS 38 H HIS 38 0.900 -5.395 -0.866 303 HA HIS 38 HA HIS 38 1.045 -5.034 2.010 304 HB2 HIS 38 2HB HIS 38 1.540 -2.725 0.104 305 HB3 HIS 38 1HB HIS 38 1.366 -2.594 1.849 306 HD2 HIS 38 2HD HIS 38 4.034 -3.195 -0.789 307 HE1 HIS 38 1HE HIS 38 5.769 -4.019 2.971 308 HE2 HIS 38 2HE HIS 38 6.150 -4.019 0.471 309 H MET 39 H MET 39 -0.663 -3.451 2.715 310 HA MET 39 HA MET 39 -2.852 -3.029 0.844 311 HB2 MET 39 2HB MET 39 -3.097 -5.392 1.797 312 HB3 MET 39 1HB MET 39 -3.340 -4.634 3.360 313 HG2 MET 39 2HG MET 39 -5.255 -3.383 2.373 314 HG3 MET 39 1HG MET 39 -5.062 -4.354 0.915 315 HE1 MET 39 3HE MET 39 -5.942 -7.938 2.113 316 HE2 MET 39 1HE MET 39 -4.356 -7.201 1.890 317 HE3 MET 39 2HE MET 39 -5.641 -6.897 0.720 318 H VAL 40 H VAL 40 -4.084 -1.286 1.433 319 HA VAL 40 HA VAL 40 -3.128 0.307 3.597 320 HB VAL 40 HB VAL 40 -3.923 1.517 1.708 321 HG11 VAL 40 1HG1 VAL 40 -6.154 1.390 0.829 322 HG12 VAL 40 2HG1 VAL 40 -6.621 0.234 2.075 323 HG13 VAL 40 3HG1 VAL 40 -5.442 -0.223 0.843 324 HG21 VAL 40 3HG2 VAL 40 -4.469 2.307 4.088 325 HG22 VAL 40 1HG2 VAL 40 -6.138 1.900 3.687 326 HG23 VAL 40 2HG2 VAL 40 -5.272 3.106 2.735 327 H TRP 41 H TRP 41 -3.420 -0.406 5.516 328 HA TRP 41 HA TRP 41 -5.576 -2.033 6.369 329 HB2 TRP 41 2HB TRP 41 -3.106 -1.641 7.276 330 HB3 TRP 41 1HB TRP 41 -3.960 -0.544 8.349 331 HD1 TRP 41 HD TRP 41 -4.195 -1.763 10.554 332 HE1 TRP 41 1HE TRP 41 -5.034 -4.073 11.293 333 HE3 TRP 41 3HE TRP 41 -4.939 -3.842 5.954 334 HZ2 TRP 41 2HZ TRP 41 -5.928 -6.484 10.063 335 HZ3 TRP 41 3HZ TRP 41 -5.791 -6.139 5.805 336 HH2 TRP 41 HH TRP 41 -6.288 -7.430 7.833 337 H HIS 42 H HIS 42 -4.761 1.333 6.786 338 HA HIS 42 HA HIS 42 -7.550 1.956 7.308 339 HB2 HIS 42 2HB HIS 42 -6.079 1.446 9.486 340 HB3 HIS 42 1HB HIS 42 -5.645 3.130 9.257 341 HD2 HIS 42 2HD HIS 42 -7.946 4.905 9.231 342 HE1 HIS 42 1HE HIS 42 -10.247 2.184 11.507 343 HE2 HIS 42 2HE HIS 42 -9.984 4.601 10.808 344 H VAL 43 H VAL 43 -8.035 3.784 6.333 345 HA VAL 43 HA VAL 43 -5.867 5.686 5.839 346 HB VAL 43 HB VAL 43 -6.245 4.567 3.757 347 HG11 VAL 43 1HG1 VAL 43 -8.414 3.651 4.084 348 HG12 VAL 43 2HG1 VAL 43 -8.448 4.668 2.643 349 HG13 VAL 43 3HG1 VAL 43 -9.133 5.258 4.157 350 HG21 VAL 43 3HG2 VAL 43 -5.849 6.988 3.678 351 HG22 VAL 43 1HG2 VAL 43 -7.595 7.252 3.681 352 HG23 VAL 43 2HG2 VAL 43 -6.838 6.417 2.327 353 H GLU 44 H GLU 44 -6.199 7.598 6.505 354 HA GLU 44 HA GLU 44 -8.487 8.341 7.966 355 HB2 GLU 44 2HB GLU 44 -6.166 10.002 7.012 356 HB3 GLU 44 1HB GLU 44 -7.273 10.403 8.304 357 HG2 GLU 44 2HG GLU 44 -6.509 8.346 9.499 358 HG3 GLU 44 1HG GLU 44 -5.273 8.178 8.252 359 H ASP 45 H ASP 45 -10.318 9.088 7.210 360 HA ASP 45 HA ASP 45 -10.508 10.170 4.526 361 HB2 ASP 45 2HB ASP 45 -12.955 10.134 4.953 362 HB3 ASP 45 1HB ASP 45 -12.193 8.566 5.177 363 H GLY 46 H GLY 46 -9.090 11.691 6.494 364 HA2 GLY 46 2HA GLY 46 -10.861 13.921 7.114 365 HA3 GLY 46 1HA GLY 46 -9.195 13.739 7.639 366 H GLY 47 H GLY 47 -8.484 13.069 4.720 367 HA2 GLY 47 2HA GLY 47 -9.068 15.247 3.100 368 HA3 GLY 47 1HA GLY 47 -7.686 15.707 4.067 369 HA PRO 48 HA PRO 48 -4.732 13.488 1.645 370 HB2 PRO 48 2HB PRO 48 -4.591 11.209 3.556 371 HB3 PRO 48 1HB PRO 48 -3.294 12.191 2.872 372 HG2 PRO 48 2HG PRO 48 -4.015 12.629 5.341 373 HG3 PRO 48 1HG PRO 48 -3.828 14.029 4.260 374 HD2 PRO 48 2HD PRO 48 -6.346 12.596 5.062 375 HD3 PRO 48 1HD PRO 48 -5.990 14.334 5.066 376 H ALA 49 H ALA 49 -4.373 10.444 2.043 377 HA ALA 49 HA ALA 49 -5.081 9.525 -0.372 378 HB1 ALA 49 1HB ALA 49 -4.091 7.691 0.348 379 HB2 ALA 49 2HB ALA 49 -5.377 7.363 1.513 380 HB3 ALA 49 3HB ALA 49 -4.027 8.409 1.962 381 H SER 50 H SER 50 -7.276 9.372 2.449 382 HA SER 50 HA SER 50 -9.184 7.729 1.172 383 HB2 SER 50 2HB SER 50 -9.067 9.379 3.587 384 HB3 SER 50 1HB SER 50 -10.679 9.184 2.909 385 HG SER 50 HG SER 50 -9.561 6.815 2.836 386 H GLU 51 H GLU 51 -9.275 11.240 1.706 387 HA GLU 51 HA GLU 51 -11.601 11.686 0.185 388 HB2 GLU 51 2HB GLU 51 -9.361 13.553 0.935 389 HB3 GLU 51 1HB GLU 51 -10.870 14.061 0.190 390 HG2 GLU 51 2HG GLU 51 -11.283 12.406 2.530 391 HG3 GLU 51 1HG GLU 51 -10.376 13.873 2.886 392 H ALA 52 H ALA 52 -8.310 11.272 -0.646 393 HA ALA 52 HA ALA 52 -8.373 12.447 -3.231 394 HB1 ALA 52 1HB ALA 52 -6.544 10.546 -1.822 395 HB2 ALA 52 2HB ALA 52 -6.235 12.198 -2.361 396 HB3 ALA 52 3HB ALA 52 -6.330 10.887 -3.539 397 H GLY 53 H GLY 53 -9.401 9.409 -1.915 398 HA2 GLY 53 2HA GLY 53 -11.149 8.454 -3.530 399 HA3 GLY 53 1HA GLY 53 -9.778 8.320 -4.612 400 H LEU 54 H LEU 54 -8.262 7.738 -1.903 401 HA LEU 54 HA LEU 54 -8.225 4.930 -2.314 402 HB2 LEU 54 2HB LEU 54 -6.440 6.625 -1.283 403 HB3 LEU 54 1HB LEU 54 -7.126 6.023 0.206 404 HG LEU 54 HG LEU 54 -5.893 4.329 -1.962 405 HD11 LEU 54 1HD1 LEU 54 -4.172 5.565 -0.852 406 HD12 LEU 54 2HD1 LEU 54 -4.149 3.910 -0.236 407 HD13 LEU 54 3HD1 LEU 54 -4.866 5.201 0.727 408 HD21 LEU 54 3HD2 LEU 54 -6.539 3.408 0.789 409 HD22 LEU 54 1HD2 LEU 54 -6.312 2.472 -0.690 410 HD23 LEU 54 2HD2 LEU 54 -7.781 3.420 -0.462 411 H ARG 55 H ARG 55 -9.619 3.550 -1.689 412 HA ARG 55 HA ARG 55 -11.265 4.065 0.673 413 HB2 ARG 55 2HB ARG 55 -12.577 2.050 -0.177 414 HB3 ARG 55 1HB ARG 55 -12.663 3.514 -1.144 415 HG2 ARG 55 2HG ARG 55 -12.247 2.147 -2.861 416 HG3 ARG 55 1HG ARG 55 -10.576 2.214 -2.310 417 HD2 ARG 55 2HD ARG 55 -11.318 -0.089 -2.685 418 HD3 ARG 55 1HD ARG 55 -10.881 0.207 -1.002 419 HE ARG 55 HE ARG 55 -13.678 0.574 -1.475 420 HH11 ARG 55 1HH1 ARG 55 -11.208 -1.838 -0.944 421 HH12 ARG 55 2HH1 ARG 55 -12.299 -2.997 -0.260 422 HH21 ARG 55 1HH2 ARG 55 -15.121 -0.941 -0.547 423 HH22 ARG 55 2HH2 ARG 55 -14.527 -2.488 -0.035 424 H GLN 56 H GLN 56 -10.854 3.062 2.523 425 HA GLN 56 HA GLN 56 -8.654 1.498 3.055 426 HB2 GLN 56 2HB GLN 56 -10.169 2.637 4.702 427 HB3 GLN 56 1HB GLN 56 -11.272 1.300 4.535 428 HG2 GLN 56 2HG GLN 56 -9.655 -0.160 5.435 429 HG3 GLN 56 1HG GLN 56 -8.433 1.092 5.468 430 HE21 GLN 56 1HE2 GLN 56 -9.552 -0.554 7.631 431 HE22 GLN 56 2HE2 GLN 56 -10.171 0.568 8.797 432 H GLY 57 H GLY 57 -8.201 -0.672 3.181 433 HA2 GLY 57 2HA GLY 57 -8.590 -2.971 3.016 434 HA3 GLY 57 1HA GLY 57 -10.267 -2.634 2.614 435 H ASP 58 H ASP 58 -7.417 -1.323 1.008 436 HA ASP 58 HA ASP 58 -8.159 -2.825 -1.424 437 HB2 ASP 58 2HB ASP 58 -8.414 -0.161 -1.236 438 HB3 ASP 58 1HB ASP 58 -6.716 -0.250 -1.705 439 H LEU 59 H LEU 59 -6.534 -3.687 -2.629 440 HA LEU 59 HA LEU 59 -4.003 -4.020 -1.229 441 HB2 LEU 59 2HB LEU 59 -4.950 -6.062 -1.963 442 HB3 LEU 59 1HB LEU 59 -5.310 -5.419 -3.551 443 HG LEU 59 HG LEU 59 -2.743 -5.224 -3.812 444 HD11 LEU 59 1HD1 LEU 59 -2.290 -5.697 -1.409 445 HD12 LEU 59 2HD1 LEU 59 -1.430 -6.761 -2.523 446 HD13 LEU 59 3HD1 LEU 59 -2.862 -7.344 -1.674 447 HD21 LEU 59 3HD2 LEU 59 -4.230 -7.841 -3.804 448 HD22 LEU 59 1HD2 LEU 59 -2.630 -7.624 -4.511 449 HD23 LEU 59 2HD2 LEU 59 -4.007 -6.731 -5.157 450 H ILE 60 H ILE 60 -2.185 -3.036 -1.823 451 HA ILE 60 HA ILE 60 -2.271 -1.208 -4.074 452 HB ILE 60 HB ILE 60 -0.141 -1.650 -1.970 453 HG12 ILE 60 2HG1 ILE 60 -0.866 0.780 -1.439 454 HG13 ILE 60 1HG1 ILE 60 -2.310 0.401 -2.368 455 HG21 ILE 60 1HG2 ILE 60 0.922 0.373 -2.872 456 HG22 ILE 60 2HG2 ILE 60 -0.271 0.414 -4.172 457 HG23 ILE 60 3HG2 ILE 60 0.874 -0.925 -4.065 458 HD11 ILE 60 3HD1 ILE 60 -2.938 -1.296 -0.820 459 HD12 ILE 60 1HD1 ILE 60 -2.546 0.161 0.093 460 HD13 ILE 60 2HD1 ILE 60 -1.394 -1.173 0.023 461 H THR 61 H THR 61 -1.439 -1.613 -5.991 462 HA THR 61 HA THR 61 0.160 -4.042 -6.325 463 HB THR 61 HB THR 61 -0.513 -4.004 -8.649 464 HG1 THR 61 1HG THR 61 -0.647 -1.916 -9.270 465 HG21 THR 61 3HG2 THR 61 -2.906 -3.335 -6.930 466 HG22 THR 61 1HG2 THR 61 -2.114 -4.912 -6.977 467 HG23 THR 61 2HG2 THR 61 -2.907 -4.281 -8.422 468 H HIS 62 H HIS 62 0.092 -0.594 -7.100 469 HA HIS 62 HA HIS 62 2.992 -0.684 -7.568 470 HB2 HIS 62 2HB HIS 62 1.021 0.770 -9.351 471 HB3 HIS 62 1HB HIS 62 2.769 0.789 -9.512 472 HD2 HIS 62 2HD HIS 62 3.884 -1.699 -10.379 473 HE1 HIS 62 1HE HIS 62 0.185 -3.085 -11.893 474 HE2 HIS 62 2HE HIS 62 2.704 -3.334 -12.008 475 H VAL 63 H VAL 63 4.016 1.417 -7.387 476 HA VAL 63 HA VAL 63 2.406 3.533 -6.210 477 HB VAL 63 HB VAL 63 3.241 2.284 -4.281 478 HG11 VAL 63 1HG1 VAL 63 5.260 1.337 -5.289 479 HG12 VAL 63 2HG1 VAL 63 5.590 2.130 -3.749 480 HG13 VAL 63 3HG1 VAL 63 6.009 2.933 -5.263 481 HG21 VAL 63 3HG2 VAL 63 4.619 4.249 -3.284 482 HG22 VAL 63 1HG2 VAL 63 2.939 4.508 -3.753 483 HG23 VAL 63 2HG2 VAL 63 4.241 5.049 -4.812 484 H ASN 64 H ASN 64 2.774 5.255 -7.365 485 HA ASN 64 HA ASN 64 3.761 6.828 -8.680 486 HB2 ASN 64 2HB ASN 64 5.519 6.349 -6.508 487 HB3 ASN 64 1HB ASN 64 6.512 6.551 -7.948 488 HD21 ASN 64 1HD2 ASN 64 7.320 8.530 -7.354 489 HD22 ASN 64 2HD2 ASN 64 6.356 9.961 -7.285 490 H GLY 65 H GLY 65 3.616 4.106 -9.701 491 HA2 GLY 65 2HA GLY 65 4.189 3.150 -11.731 492 HA3 GLY 65 1HA GLY 65 5.351 4.441 -11.960 493 H GLU 66 H GLU 66 5.142 2.233 -9.262 494 HA GLU 66 HA GLU 66 7.404 0.706 -10.141 495 HB2 GLU 66 2HB GLU 66 7.904 2.899 -8.726 496 HB3 GLU 66 1HB GLU 66 7.526 1.823 -7.394 497 HG2 GLU 66 2HG GLU 66 9.947 1.973 -7.930 498 HG3 GLU 66 1HG GLU 66 9.290 0.340 -7.964 499 HA PRO 67 HA PRO 67 4.426 -2.224 -8.383 500 HB2 PRO 67 2HB PRO 67 6.413 -4.241 -8.626 501 HB3 PRO 67 1HB PRO 67 5.040 -3.956 -9.695 502 HG2 PRO 67 2HG PRO 67 7.864 -3.170 -10.006 503 HG3 PRO 67 1HG PRO 67 6.628 -3.446 -11.245 504 HD2 PRO 67 2HD PRO 67 7.494 -0.982 -10.564 505 HD3 PRO 67 1HD PRO 67 5.849 -1.273 -11.121 506 H VAL 68 H VAL 68 4.171 -2.828 -6.422 507 HA VAL 68 HA VAL 68 6.221 -2.216 -4.457 508 HB VAL 68 HB VAL 68 4.466 -2.470 -2.777 509 HG11 VAL 68 1HG1 VAL 68 3.730 -0.757 -5.150 510 HG12 VAL 68 2HG1 VAL 68 4.659 -0.290 -3.723 511 HG13 VAL 68 3HG1 VAL 68 2.939 -0.648 -3.575 512 HG21 VAL 68 3HG2 VAL 68 3.209 -4.278 -3.801 513 HG22 VAL 68 1HG2 VAL 68 2.680 -3.200 -5.092 514 HG23 VAL 68 2HG2 VAL 68 2.149 -2.917 -3.434 515 H HIS 69 H HIS 69 5.198 -4.665 -6.228 516 HA HIS 69 HA HIS 69 5.079 -6.934 -4.720 517 HB2 HIS 69 2HB HIS 69 6.003 -6.308 -7.512 518 HB3 HIS 69 1HB HIS 69 5.817 -7.921 -6.914 519 HD2 HIS 69 2HD HIS 69 3.073 -5.453 -5.862 520 HE1 HIS 69 1HE HIS 69 1.569 -7.871 -8.993 521 HE2 HIS 69 2HE HIS 69 0.957 -6.324 -7.085 522 H GLY 70 H GLY 70 6.648 -7.086 -3.101 523 HA2 GLY 70 2HA GLY 70 8.699 -8.372 -2.745 524 HA3 GLY 70 1HA GLY 70 9.395 -7.512 -4.111 525 H LEU 71 H LEU 71 7.814 -5.108 -2.813 526 HA LEU 71 HA LEU 71 10.133 -4.035 -1.499 527 HB2 LEU 71 2HB LEU 71 7.325 -2.963 -1.818 528 HB3 LEU 71 1HB LEU 71 8.623 -2.074 -1.049 529 HG LEU 71 HG LEU 71 8.393 -2.852 -3.950 530 HD11 LEU 71 1HD1 LEU 71 8.655 -0.184 -2.566 531 HD12 LEU 71 2HD1 LEU 71 7.170 -0.856 -3.238 532 HD13 LEU 71 3HD1 LEU 71 8.513 -0.446 -4.305 533 HD21 LEU 71 3HD2 LEU 71 10.674 -3.238 -3.413 534 HD22 LEU 71 1HD2 LEU 71 10.764 -1.764 -2.448 535 HD23 LEU 71 2HD2 LEU 71 10.586 -1.663 -4.198 536 H VAL 72 H VAL 72 10.492 -3.767 0.654 537 HA VAL 72 HA VAL 72 8.912 -5.365 2.446 538 HB VAL 72 HB VAL 72 11.525 -4.773 2.419 539 HG11 VAL 72 1HG1 VAL 72 12.216 -3.150 3.936 540 HG12 VAL 72 2HG1 VAL 72 10.615 -3.004 4.660 541 HG13 VAL 72 3HG1 VAL 72 10.914 -2.359 3.048 542 HG21 VAL 72 3HG2 VAL 72 10.318 -6.496 3.759 543 HG22 VAL 72 1HG2 VAL 72 10.046 -5.267 4.994 544 HG23 VAL 72 2HG2 VAL 72 11.689 -5.753 4.585 545 H HIS 73 H HIS 73 8.312 -4.384 4.639 546 HA HIS 73 HA HIS 73 6.153 -2.767 4.549 547 HB2 HIS 73 2HB HIS 73 7.351 -4.048 6.512 548 HB3 HIS 73 1HB HIS 73 8.026 -2.472 6.857 549 HD1 HIS 73 1HD HIS 73 5.322 -4.508 7.863 550 HD2 HIS 73 2HD HIS 73 5.767 -0.462 7.028 551 HE1 HIS 73 1HE HIS 73 3.409 -3.327 9.025 552 H THR 74 H THR 74 9.445 -1.661 5.193 553 HA THR 74 HA THR 74 8.614 1.093 5.333 554 HB THR 74 HB THR 74 10.866 1.540 5.998 555 HG1 THR 74 1HG THR 74 12.327 0.432 4.903 556 HG21 THR 74 3HG2 THR 74 9.513 0.479 7.697 557 HG22 THR 74 1HG2 THR 74 11.157 -0.154 7.813 558 HG23 THR 74 2HG2 THR 74 9.887 -1.122 7.051 559 H GLU 75 H GLU 75 9.636 -0.978 2.804 560 HA GLU 75 HA GLU 75 11.058 0.938 1.260 561 HB2 GLU 75 2HB GLU 75 9.881 -1.748 0.721 562 HB3 GLU 75 1HB GLU 75 10.386 -0.740 -0.623 563 HG2 GLU 75 2HG GLU 75 12.618 -0.537 0.617 564 HG3 GLU 75 1HG GLU 75 12.055 -1.912 1.561 565 H VAL 76 H VAL 76 7.678 -0.171 1.265 566 HA VAL 76 HA VAL 76 6.892 1.401 -0.952 567 HB VAL 76 HB VAL 76 4.561 1.215 0.043 568 HG11 VAL 76 1HG1 VAL 76 5.509 -0.270 -1.675 569 HG12 VAL 76 2HG1 VAL 76 4.334 -1.074 -0.633 570 HG13 VAL 76 3HG1 VAL 76 6.060 -1.349 -0.396 571 HG21 VAL 76 3HG2 VAL 76 6.111 0.152 2.263 572 HG22 VAL 76 1HG2 VAL 76 4.823 -0.934 1.740 573 HG23 VAL 76 2HG2 VAL 76 4.435 0.725 2.222 574 H VAL 77 H VAL 77 6.774 1.940 2.511 575 HA VAL 77 HA VAL 77 5.673 4.458 2.631 576 HB VAL 77 HB VAL 77 7.849 3.270 4.327 577 HG11 VAL 77 1HG1 VAL 77 7.038 4.891 6.063 578 HG12 VAL 77 2HG1 VAL 77 6.154 5.706 4.774 579 HG13 VAL 77 3HG1 VAL 77 7.912 5.612 4.711 580 HG21 VAL 77 3HG2 VAL 77 6.197 2.427 5.731 581 HG22 VAL 77 1HG2 VAL 77 5.551 2.132 4.114 582 HG23 VAL 77 2HG2 VAL 77 4.961 3.495 5.067 583 H GLU 78 H GLU 78 9.082 3.550 2.275 584 HA GLU 78 HA GLU 78 10.157 6.122 2.106 585 HB2 GLU 78 2HB GLU 78 11.040 3.435 1.179 586 HB3 GLU 78 1HB GLU 78 11.893 4.849 0.573 587 HG2 GLU 78 2HG GLU 78 11.946 5.486 3.120 588 HG3 GLU 78 1HG GLU 78 11.749 3.746 3.305 589 H LEU 79 H LEU 79 9.133 3.920 -0.477 590 HA LEU 79 HA LEU 79 9.707 5.467 -2.695 591 HB2 LEU 79 2HB LEU 79 8.295 3.111 -2.188 592 HB3 LEU 79 1HB LEU 79 7.131 4.155 -2.978 593 HG LEU 79 HG LEU 79 8.222 2.752 -4.621 594 HD11 LEU 79 1HD1 LEU 79 7.615 5.019 -5.302 595 HD12 LEU 79 2HD1 LEU 79 9.046 4.444 -6.157 596 HD13 LEU 79 3HD1 LEU 79 9.214 5.591 -4.828 597 HD21 LEU 79 3HD2 LEU 79 10.290 2.320 -3.386 598 HD22 LEU 79 1HD2 LEU 79 10.811 3.980 -3.674 599 HD23 LEU 79 2HD2 LEU 79 10.619 2.870 -5.030 600 H ILE 80 H ILE 80 6.867 5.580 -0.599 601 HA ILE 80 HA ILE 80 5.451 7.501 -2.115 602 HB ILE 80 HB ILE 80 5.239 6.474 0.698 603 HG12 ILE 80 2HG1 ILE 80 3.092 6.393 -1.375 604 HG13 ILE 80 1HG1 ILE 80 4.477 5.322 -1.559 605 HG21 ILE 80 1HG2 ILE 80 2.994 7.770 0.631 606 HG22 ILE 80 2HG2 ILE 80 3.834 8.791 -0.540 607 HG23 ILE 80 3HG2 ILE 80 4.475 8.608 1.090 608 HD11 ILE 80 3HD1 ILE 80 2.647 4.202 -0.449 609 HD12 ILE 80 1HD1 ILE 80 2.624 5.443 0.802 610 HD13 ILE 80 2HD1 ILE 80 4.020 4.378 0.645 611 H LEU 81 H LEU 81 7.355 7.783 0.890 612 HA LEU 81 HA LEU 81 7.155 10.561 1.182 613 HB2 LEU 81 2HB LEU 81 9.457 8.776 1.981 614 HB3 LEU 81 1HB LEU 81 9.126 10.375 2.617 615 HG LEU 81 HG LEU 81 7.235 8.051 2.944 616 HD11 LEU 81 1HD1 LEU 81 9.340 7.514 4.036 617 HD12 LEU 81 2HD1 LEU 81 8.096 7.881 5.232 618 HD13 LEU 81 3HD1 LEU 81 9.333 9.078 4.851 619 HD21 LEU 81 3HD2 LEU 81 7.443 10.730 4.309 620 HD22 LEU 81 1HD2 LEU 81 6.293 9.456 4.720 621 HD23 LEU 81 2HD2 LEU 81 6.212 10.245 3.145 622 H LYS 82 H LYS 82 9.393 8.586 -0.638 623 HA LYS 82 HA LYS 82 11.297 10.483 -1.365 624 HB2 LYS 82 2HB LYS 82 11.258 7.945 -1.628 625 HB3 LYS 82 1HB LYS 82 10.423 8.291 -3.117 626 HG2 LYS 82 2HG LYS 82 12.392 9.795 -3.696 627 HG3 LYS 82 1HG LYS 82 13.225 8.966 -2.376 628 HD2 LYS 82 2HD LYS 82 11.878 7.547 -4.658 629 HD3 LYS 82 1HD LYS 82 13.594 7.968 -4.652 630 HE2 LYS 82 2HE LYS 82 13.732 6.708 -2.448 631 HE3 LYS 82 1HE LYS 82 12.126 6.091 -2.819 632 HZ1 LYS 82 3HZ LYS 82 13.845 4.550 -3.509 633 HZ2 LYS 82 1HZ LYS 82 14.546 5.732 -4.492 634 HZ3 LYS 82 2HZ LYS 82 13.008 5.136 -4.857 635 H SER 83 H SER 83 8.279 9.566 -2.863 636 HA SER 83 HA SER 83 8.448 10.872 -5.278 637 HB2 SER 83 2HB SER 83 6.599 9.402 -4.744 638 HB3 SER 83 1HB SER 83 6.032 10.508 -3.495 639 HG SER 83 HG SER 83 5.079 11.661 -4.959 640 H GLY 84 H GLY 84 7.311 12.256 -2.175 641 HA2 GLY 84 2HA GLY 84 8.316 14.614 -1.982 642 HA3 GLY 84 1HA GLY 84 7.418 14.906 -3.462 643 H ASN 85 H ASN 85 5.872 16.284 -2.884 644 HA ASN 85 HA ASN 85 4.538 16.118 -0.335 645 HB2 ASN 85 2HB ASN 85 3.243 18.055 -1.154 646 HB3 ASN 85 1HB ASN 85 4.977 18.299 -1.301 647 HD21 ASN 85 1HD2 ASN 85 5.884 18.520 -3.305 648 HD22 ASN 85 2HD2 ASN 85 4.957 18.656 -4.757 649 H LYS 86 H LYS 86 4.225 14.336 -2.999 650 HA LYS 86 HA LYS 86 1.593 13.436 -2.309 651 HB2 LYS 86 2HB LYS 86 0.784 13.684 -4.630 652 HB3 LYS 86 1HB LYS 86 0.953 15.191 -3.784 653 HG2 LYS 86 2HG LYS 86 2.633 15.922 -5.131 654 HG3 LYS 86 1HG LYS 86 3.249 14.296 -5.418 655 HD2 LYS 86 2HD LYS 86 1.333 13.846 -6.890 656 HD3 LYS 86 1HD LYS 86 0.760 15.494 -6.627 657 HE2 LYS 86 2HE LYS 86 1.960 15.329 -8.736 658 HE3 LYS 86 1HE LYS 86 2.822 16.368 -7.604 659 HZ1 LYS 86 3HZ LYS 86 4.347 14.590 -7.134 660 HZ2 LYS 86 1HZ LYS 86 4.285 14.833 -8.807 661 HZ3 LYS 86 2HZ LYS 86 3.481 13.520 -8.114 662 H VAL 87 H VAL 87 0.955 11.698 -3.996 663 HA VAL 87 HA VAL 87 3.083 10.334 -5.347 664 HB VAL 87 HB VAL 87 3.699 9.850 -3.004 665 HG11 VAL 87 1HG1 VAL 87 2.303 8.227 -1.737 666 HG12 VAL 87 2HG1 VAL 87 1.038 8.452 -2.943 667 HG13 VAL 87 3HG1 VAL 87 1.554 9.811 -1.945 668 HG21 VAL 87 3HG2 VAL 87 2.911 7.582 -4.798 669 HG22 VAL 87 1HG2 VAL 87 3.766 7.318 -3.278 670 HG23 VAL 87 2HG2 VAL 87 4.508 8.289 -4.550 671 H ALA 88 H ALA 88 2.424 8.594 -6.572 672 HA ALA 88 HA ALA 88 -0.471 8.328 -6.927 673 HB1 ALA 88 1HB ALA 88 0.784 8.841 -8.915 674 HB2 ALA 88 2HB ALA 88 0.110 7.213 -9.045 675 HB3 ALA 88 3HB ALA 88 1.819 7.435 -8.663 676 H ILE 89 H ILE 89 -1.101 6.905 -5.305 677 HA ILE 89 HA ILE 89 0.266 4.342 -5.102 678 HB ILE 89 HB ILE 89 -0.346 5.221 -2.983 679 HG12 ILE 89 2HG1 ILE 89 -2.493 3.182 -3.527 680 HG13 ILE 89 1HG1 ILE 89 -0.786 2.756 -3.463 681 HG21 ILE 89 1HG2 ILE 89 -2.026 6.812 -3.599 682 HG22 ILE 89 2HG2 ILE 89 -2.689 5.732 -2.371 683 HG23 ILE 89 3HG2 ILE 89 -3.136 5.524 -4.064 684 HD11 ILE 89 3HD1 ILE 89 -2.122 2.413 -1.356 685 HD12 ILE 89 1HD1 ILE 89 -2.187 4.168 -1.223 686 HD13 ILE 89 2HD1 ILE 89 -0.631 3.339 -1.191 687 H SER 90 H SER 90 -0.231 2.748 -6.470 688 HA SER 90 HA SER 90 -2.814 2.797 -7.818 689 HB2 SER 90 2HB SER 90 -0.327 2.282 -8.745 690 HB3 SER 90 1HB SER 90 -0.888 0.641 -8.426 691 HG SER 90 HG SER 90 -2.785 2.141 -9.666 692 H THR 91 H THR 91 -4.436 1.868 -6.836 693 HA THR 91 HA THR 91 -3.998 -0.553 -5.233 694 HB THR 91 HB THR 91 -6.338 -0.039 -4.402 695 HG1 THR 91 1HG THR 91 -7.374 1.478 -5.446 696 HG21 THR 91 3HG2 THR 91 -4.343 2.190 -3.992 697 HG22 THR 91 1HG2 THR 91 -4.264 0.626 -3.177 698 HG23 THR 91 2HG2 THR 91 -5.632 1.701 -2.892 699 H THR 92 H THR 92 -5.990 -2.127 -5.332 700 HA THR 92 HA THR 92 -6.545 -2.476 -8.211 701 HB THR 92 HB THR 92 -5.204 -4.289 -7.363 702 HG1 THR 92 1HG THR 92 -7.887 -4.820 -8.041 703 HG21 THR 92 3HG2 THR 92 -7.407 -4.831 -5.378 704 HG22 THR 92 1HG2 THR 92 -5.843 -4.110 -4.991 705 HG23 THR 92 2HG2 THR 92 -5.927 -5.766 -5.593 706 HA PRO 93 HA PRO 93 -10.766 -1.327 -7.001 707 HB2 PRO 93 2HB PRO 93 -11.103 -2.080 -9.863 708 HB3 PRO 93 1HB PRO 93 -11.714 -0.667 -8.992 709 HG2 PRO 93 2HG PRO 93 -9.611 -0.489 -10.646 710 HG3 PRO 93 1HG PRO 93 -9.686 0.456 -9.158 711 HD2 PRO 93 2HD PRO 93 -8.046 -1.906 -9.798 712 HD3 PRO 93 1HD PRO 93 -7.711 -0.572 -8.690 713 H LEU 94 H LEU 94 -12.881 -2.405 -7.375 714 HA LEU 94 HA LEU 94 -12.816 -5.084 -6.530 715 HB2 LEU 94 2HB LEU 94 -15.344 -4.344 -7.716 716 HB3 LEU 94 1HB LEU 94 -14.970 -4.709 -6.060 717 HG LEU 94 HG LEU 94 -13.995 -2.255 -6.089 718 HD11 LEU 94 1HD1 LEU 94 -14.309 -1.523 -8.220 719 HD12 LEU 94 2HD1 LEU 94 -15.846 -1.020 -7.503 720 HD13 LEU 94 3HD1 LEU 94 -15.754 -2.510 -8.441 721 HD21 LEU 94 3HD2 LEU 94 -15.735 -3.053 -4.585 722 HD22 LEU 94 1HD2 LEU 94 -16.926 -2.943 -5.882 723 HD23 LEU 94 2HD2 LEU 94 -16.170 -1.481 -5.253 724 H GLU 95 H GLU 95 -13.973 -6.877 -7.610 725 HA GLU 95 HA GLU 95 -14.104 -6.855 -10.484 726 HB2 GLU 95 2HB GLU 95 -12.403 -8.469 -10.926 727 HB3 GLU 95 1HB GLU 95 -11.660 -7.198 -9.969 728 HG2 GLU 95 2HG GLU 95 -12.673 -9.762 -8.775 729 HG3 GLU 95 1HG GLU 95 -11.032 -9.564 -9.376 730 H ASN 96 H ASN 96 -14.445 -9.298 -11.203 731 HA ASN 96 HA ASN 96 -16.767 -10.190 -9.781 732 HB2 ASN 96 2HB ASN 96 -17.104 -11.708 -11.568 733 HB3 ASN 96 1HB ASN 96 -16.415 -10.270 -12.312 734 HD21 ASN 96 1HD2 ASN 96 -14.326 -10.336 -13.118 735 HD22 ASN 96 2HD2 ASN 96 -13.494 -11.828 -13.397 736 H1 SER 101 1HT SER 101 -6.824 -15.514 2.897 737 H2 SER 101 2HT SER 101 -7.867 -14.245 3.299 738 H3 SER 101 3HT SER 101 -6.409 -14.434 4.129 739 HA SER 101 HA SER 101 -6.611 -13.874 1.238 740 HB2 SER 101 2HB SER 101 -5.854 -11.891 3.382 741 HB3 SER 101 1HB SER 101 -6.237 -11.572 1.691 742 HG SER 101 HG SER 101 -8.211 -11.305 2.318 743 H TRP 102 H TRP 102 -4.537 -13.478 4.127 744 HA TRP 102 HA TRP 102 -2.321 -14.579 2.555 745 HB2 TRP 102 2HB TRP 102 -0.793 -12.912 3.314 746 HB3 TRP 102 1HB TRP 102 -2.200 -12.064 2.685 747 HD1 TRP 102 HD TRP 102 -0.356 -12.795 5.948 748 HE1 TRP 102 1HE TRP 102 -1.199 -11.174 7.764 749 HE3 TRP 102 3HE TRP 102 -4.226 -10.650 3.385 750 HZ2 TRP 102 2HZ TRP 102 -3.226 -9.248 8.061 751 HZ3 TRP 102 3HZ TRP 102 -5.563 -8.919 4.520 752 HH2 TRP 102 HH TRP 102 -5.064 -8.241 6.797 753 H GLU 103 H GLU 103 -0.537 -15.352 3.932 754 HA GLU 103 HA GLU 103 -1.472 -17.066 5.938 755 HB2 GLU 103 2HB GLU 103 1.228 -16.225 4.966 756 HB3 GLU 103 1HB GLU 103 1.111 -17.179 6.435 757 HG2 GLU 103 2HG GLU 103 1.527 -18.523 4.409 758 HG3 GLU 103 1HG GLU 103 0.056 -18.977 5.267 759 H SER 104 H SER 104 1.019 -14.576 6.463 760 HA SER 104 HA SER 104 -0.412 -13.465 8.688 761 HB2 SER 104 2HB SER 104 1.755 -14.017 10.141 762 HB3 SER 104 1HB SER 104 0.364 -15.099 10.081 763 HG SER 104 HG SER 104 1.579 -16.543 9.178 764 H HIS 105 H HIS 105 0.957 -11.839 9.853 765 HA HIS 105 HA HIS 105 2.671 -10.439 7.916 766 HB2 HIS 105 2HB HIS 105 0.725 -9.137 8.396 767 HB3 HIS 105 1HB HIS 105 0.854 -9.448 10.120 768 HD2 HIS 105 2HD HIS 105 3.909 -8.089 8.084 769 HE1 HIS 105 1HE HIS 105 2.511 -5.107 10.736 770 HE2 HIS 105 2HE HIS 105 4.454 -5.870 9.307 771 H LYS 106 H LYS 106 4.727 -10.914 8.378 772 HA LYS 106 HA LYS 106 5.630 -10.549 11.152 773 HB2 LYS 106 2HB LYS 106 5.681 -12.970 9.630 774 HB3 LYS 106 1HB LYS 106 7.336 -12.429 9.864 775 HG2 LYS 106 2HG LYS 106 6.809 -13.890 11.649 776 HG3 LYS 106 1HG LYS 106 6.840 -12.256 12.310 777 HD2 LYS 106 2HD LYS 106 4.373 -12.176 12.101 778 HD3 LYS 106 1HD LYS 106 4.396 -13.855 11.559 779 HE2 LYS 106 2HE LYS 106 5.433 -14.512 13.679 780 HE3 LYS 106 1HE LYS 106 5.376 -12.838 14.224 781 HZ1 LYS 106 3HZ LYS 106 2.936 -12.941 13.982 782 HZ2 LYS 106 1HZ LYS 106 3.533 -14.025 15.134 783 HZ3 LYS 106 2HZ LYS 106 3.061 -14.587 13.615 784 H SER 107 H SER 107 5.626 -8.942 8.595 785 HA SER 107 HA SER 107 8.518 -8.427 8.489 786 HB2 SER 107 2HB SER 107 6.517 -8.121 6.237 787 HB3 SER 107 1HB SER 107 8.236 -7.737 6.146 788 HG SER 107 HG SER 107 8.708 -9.908 6.455 789 H GLY 108 H GLY 108 8.896 -6.616 9.568 790 HA2 GLY 108 2HA GLY 108 8.867 -4.327 9.953 791 HA3 GLY 108 1HA GLY 108 7.548 -4.183 8.802 792 H GLY 109 H GLY 109 7.524 -2.740 11.133 793 HA2 GLY 109 2HA GLY 109 5.963 -4.118 13.136 794 HA3 GLY 109 1HA GLY 109 6.389 -2.411 13.127 795 H GLU 110 H GLU 110 4.844 -0.999 12.673 796 HA GLU 110 HA GLU 110 2.564 -1.782 11.011 797 HB2 GLU 110 2HB GLU 110 2.324 -0.635 13.810 798 HB3 GLU 110 1HB GLU 110 0.992 -0.755 12.673 799 HG2 GLU 110 2HG GLU 110 1.401 -3.242 12.635 800 HG3 GLU 110 1HG GLU 110 2.504 -2.995 13.987 801 H THR 111 H THR 111 4.667 -0.260 10.267 802 HA THR 111 HA THR 111 4.470 2.508 10.734 803 HB THR 111 HB THR 111 5.513 1.239 8.199 804 HG1 THR 111 1HG THR 111 6.395 0.987 10.800 805 HG21 THR 111 3HG2 THR 111 6.354 3.712 9.723 806 HG22 THR 111 1HG2 THR 111 5.407 3.693 8.235 807 HG23 THR 111 2HG2 THR 111 7.074 3.121 8.226 808 H ARG 112 H ARG 112 3.574 4.164 9.463 809 HA ARG 112 HA ARG 112 1.744 3.382 7.338 810 HB2 ARG 112 2HB ARG 112 -0.092 4.714 8.328 811 HB3 ARG 112 1HB ARG 112 0.330 3.306 9.290 812 HG2 ARG 112 2HG ARG 112 1.864 5.071 10.529 813 HG3 ARG 112 1HG ARG 112 0.655 6.188 9.896 814 HD2 ARG 112 2HD ARG 112 -0.024 5.493 12.089 815 HD3 ARG 112 1HD ARG 112 -1.111 4.763 10.905 816 HE ARG 112 HE ARG 112 1.108 3.083 11.624 817 HH11 ARG 112 1HH1 ARG 112 -2.150 4.043 12.460 818 HH12 ARG 112 2HH1 ARG 112 -2.471 2.604 13.373 819 HH21 ARG 112 1HH2 ARG 112 0.688 1.192 12.800 820 HH22 ARG 112 2HH2 ARG 112 -0.854 0.983 13.579 821 H LEU 113 H LEU 113 0.776 5.370 6.304 822 HA LEU 113 HA LEU 113 2.896 7.380 6.026 823 HB2 LEU 113 2HB LEU 113 0.695 6.431 4.207 824 HB3 LEU 113 1HB LEU 113 1.548 7.928 3.906 825 HG LEU 113 HG LEU 113 2.557 6.316 2.517 826 HD11 LEU 113 1HD1 LEU 113 4.109 7.778 3.782 827 HD12 LEU 113 2HD1 LEU 113 4.816 6.256 3.242 828 HD13 LEU 113 3HD1 LEU 113 4.338 6.457 4.928 829 HD21 LEU 113 3HD2 LEU 113 1.649 4.322 3.590 830 HD22 LEU 113 1HD2 LEU 113 2.794 4.513 4.918 831 HD23 LEU 113 2HD2 LEU 113 3.379 4.164 3.291 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -9.823 -12.152 -11.596 2 H2 GLY 1 2HT GLY 1 -9.945 -11.486 -13.144 3 H3 GLY 1 3HT GLY 1 -11.013 -10.998 -11.931 4 HA2 GLY 1 1HA GLY 1 -9.169 -10.034 -10.676 5 HA3 GLY 1 2HA GLY 1 -8.087 -10.514 -11.977 6 H GLY 2 H GLY 2 -7.517 -8.261 -12.178 7 HA2 GLY 2 2HA GLY 2 -9.340 -6.893 -14.004 8 HA3 GLY 2 1HA GLY 2 -8.907 -6.038 -12.531 9 H SER 3 H SER 3 -8.312 -4.861 -14.876 10 HA SER 3 HA SER 3 -5.383 -5.042 -14.930 11 HB2 SER 3 2HB SER 3 -7.038 -4.619 -17.424 12 HB3 SER 3 1HB SER 3 -5.307 -4.928 -17.316 13 HG SER 3 HG SER 3 -5.769 -7.027 -16.614 14 H MET 4 H MET 4 -4.341 -3.074 -15.662 15 HA MET 4 HA MET 4 -3.984 -0.840 -15.636 16 HB2 MET 4 2HB MET 4 -6.875 -0.768 -16.505 17 HB3 MET 4 1HB MET 4 -5.832 0.644 -16.458 18 HG2 MET 4 2HG MET 4 -4.350 -0.383 -18.096 19 HG3 MET 4 1HG MET 4 -5.369 -1.819 -18.124 20 HE1 MET 4 3HE MET 4 -6.527 2.000 -18.000 21 HE2 MET 4 1HE MET 4 -6.581 2.333 -19.730 22 HE3 MET 4 2HE MET 4 -5.044 1.951 -18.953 23 H ARG 5 H ARG 5 -3.722 -1.150 -13.329 24 HA ARG 5 HA ARG 5 -5.858 -0.511 -11.546 25 HB2 ARG 5 2HB ARG 5 -2.882 -0.810 -11.181 26 HB3 ARG 5 1HB ARG 5 -3.932 -0.313 -9.863 27 HG2 ARG 5 2HG ARG 5 -3.723 -2.596 -9.540 28 HG3 ARG 5 1HG ARG 5 -5.256 -2.465 -10.400 29 HD2 ARG 5 2HD ARG 5 -4.101 -2.986 -12.507 30 HD3 ARG 5 1HD ARG 5 -2.584 -3.146 -11.624 31 HE ARG 5 HE ARG 5 -4.664 -4.856 -10.626 32 HH11 ARG 5 1HH1 ARG 5 -2.156 -4.551 -13.056 33 HH12 ARG 5 2HH1 ARG 5 -1.946 -6.264 -13.225 34 HH21 ARG 5 1HH2 ARG 5 -4.413 -7.107 -10.895 35 HH22 ARG 5 2HH2 ARG 5 -3.226 -7.708 -12.011 36 HA PRO 6 HA PRO 6 -5.276 3.906 -11.930 37 HB2 PRO 6 2HB PRO 6 -7.392 4.415 -10.122 38 HB3 PRO 6 1HB PRO 6 -7.506 4.276 -11.877 39 HG2 PRO 6 2HG PRO 6 -8.644 2.502 -10.056 40 HG3 PRO 6 1HG PRO 6 -8.341 2.162 -11.760 41 HD2 PRO 6 2HD PRO 6 -6.709 1.476 -9.350 42 HD3 PRO 6 1HD PRO 6 -7.121 0.483 -10.762 43 HA PRO 7 HA PRO 7 -2.945 4.647 -8.104 44 HB2 PRO 7 2HB PRO 7 -1.853 6.913 -9.552 45 HB3 PRO 7 1HB PRO 7 -1.024 5.510 -8.880 46 HG2 PRO 7 2HG PRO 7 -1.292 5.894 -11.536 47 HG3 PRO 7 1HG PRO 7 -1.285 4.277 -10.811 48 HD2 PRO 7 2HD PRO 7 -3.622 5.927 -11.729 49 HD3 PRO 7 1HD PRO 7 -3.320 4.187 -11.940 50 H ILE 8 H ILE 8 -3.847 5.653 -6.503 51 HA ILE 8 HA ILE 8 -5.426 8.042 -6.870 52 HB ILE 8 HB ILE 8 -4.774 6.838 -4.209 53 HG12 ILE 8 2HG1 ILE 8 -7.103 5.790 -5.656 54 HG13 ILE 8 1HG1 ILE 8 -5.571 5.244 -6.233 55 HG21 ILE 8 1HG2 ILE 8 -6.245 8.919 -4.766 56 HG22 ILE 8 2HG2 ILE 8 -6.775 7.750 -3.554 57 HG23 ILE 8 3HG2 ILE 8 -7.430 7.686 -5.189 58 HD11 ILE 8 3HD1 ILE 8 -5.017 4.250 -4.168 59 HD12 ILE 8 1HD1 ILE 8 -6.674 3.772 -4.539 60 HD13 ILE 8 2HD1 ILE 8 -6.367 5.051 -3.365 61 H ILE 9 H ILE 9 -4.338 9.897 -7.008 62 HA ILE 9 HA ILE 9 -1.706 10.183 -5.910 63 HB ILE 9 HB ILE 9 -3.289 12.510 -6.914 64 HG12 ILE 9 2HG1 ILE 9 -3.631 10.575 -8.501 65 HG13 ILE 9 1HG1 ILE 9 -2.845 11.982 -9.206 66 HG21 ILE 9 1HG2 ILE 9 -1.074 12.925 -6.031 67 HG22 ILE 9 2HG2 ILE 9 -1.073 13.183 -7.775 68 HG23 ILE 9 3HG2 ILE 9 -0.384 11.704 -7.102 69 HD11 ILE 9 3HD1 ILE 9 -1.789 9.976 -9.989 70 HD12 ILE 9 1HD1 ILE 9 -1.518 9.427 -8.335 71 HD13 ILE 9 2HD1 ILE 9 -0.674 10.852 -8.942 72 H ILE 10 H ILE 10 -1.740 10.147 -3.692 73 HA ILE 10 HA ILE 10 -3.598 11.759 -2.169 74 HB ILE 10 HB ILE 10 -0.989 10.569 -1.162 75 HG12 ILE 10 2HG1 ILE 10 -3.469 9.196 -0.440 76 HG13 ILE 10 1HG1 ILE 10 -3.019 9.031 -2.116 77 HG21 ILE 10 1HG2 ILE 10 -2.384 10.542 1.007 78 HG22 ILE 10 2HG2 ILE 10 -3.413 11.707 0.176 79 HG23 ILE 10 3HG2 ILE 10 -1.709 12.073 0.451 80 HD11 ILE 10 3HD1 ILE 10 -0.968 8.037 -1.580 81 HD12 ILE 10 1HD1 ILE 10 -2.180 7.268 -0.554 82 HD13 ILE 10 2HD1 ILE 10 -1.120 8.510 0.112 83 H HIS 11 H HIS 11 -2.783 13.526 -0.738 84 HA HIS 11 HA HIS 11 -0.358 14.816 -1.726 85 HB2 HIS 11 2HB HIS 11 -2.237 15.890 -2.910 86 HB3 HIS 11 1HB HIS 11 -3.033 16.211 -1.373 87 HD2 HIS 11 2HD HIS 11 0.223 17.354 -3.272 88 HE1 HIS 11 1HE HIS 11 -0.930 20.318 -0.481 89 HE2 HIS 11 2HE HIS 11 0.595 19.780 -2.433 90 H ARG 12 H ARG 12 0.885 14.978 -0.036 91 HA ARG 12 HA ARG 12 0.060 14.659 2.627 92 HB2 ARG 12 2HB ARG 12 2.366 14.328 1.599 93 HB3 ARG 12 1HB ARG 12 2.572 16.067 1.743 94 HG2 ARG 12 2HG ARG 12 2.425 15.967 4.115 95 HG3 ARG 12 1HG ARG 12 1.934 14.271 4.066 96 HD2 ARG 12 2HD ARG 12 4.064 13.607 3.233 97 HD3 ARG 12 1HD ARG 12 4.565 15.281 3.013 98 HE ARG 12 HE ARG 12 3.956 14.279 5.711 99 HH11 ARG 12 1HH1 ARG 12 6.248 15.579 3.400 100 HH12 ARG 12 2HH1 ARG 12 7.482 15.838 4.588 101 HH21 ARG 12 1HH2 ARG 12 5.573 14.637 7.272 102 HH22 ARG 12 2HH2 ARG 12 7.098 15.307 6.790 103 H ALA 13 H ALA 13 -1.312 16.009 3.571 104 HA ALA 13 HA ALA 13 -1.365 18.831 3.015 105 HB1 ALA 13 1HB ALA 13 -2.887 17.461 5.212 106 HB2 ALA 13 2HB ALA 13 -3.361 17.309 3.521 107 HB3 ALA 13 3HB ALA 13 -3.331 18.897 4.288 108 H GLY 14 H GLY 14 1.123 18.411 3.907 109 HA2 GLY 14 2HA GLY 14 2.637 19.281 5.403 110 HA3 GLY 14 1HA GLY 14 1.292 20.118 6.162 111 H LYS 15 H LYS 15 1.167 16.675 5.858 112 HA LYS 15 HA LYS 15 2.252 16.233 8.498 113 HB2 LYS 15 2HB LYS 15 0.032 14.959 9.083 114 HB3 LYS 15 1HB LYS 15 0.185 16.682 9.386 115 HG2 LYS 15 2HG LYS 15 -1.170 17.238 7.555 116 HG3 LYS 15 1HG LYS 15 -1.037 15.623 6.857 117 HD2 LYS 15 2HD LYS 15 -3.151 15.581 7.795 118 HD3 LYS 15 1HD LYS 15 -2.166 14.855 9.064 119 HE2 LYS 15 2HE LYS 15 -2.119 16.912 10.291 120 HE3 LYS 15 1HE LYS 15 -2.896 17.779 8.964 121 HZ1 LYS 15 3HZ LYS 15 -4.119 15.632 10.612 122 HZ2 LYS 15 1HZ LYS 15 -4.866 16.394 9.299 123 HZ3 LYS 15 2HZ LYS 15 -4.490 17.279 10.687 124 H LYS 16 H LYS 16 -0.111 14.286 6.682 125 HA LYS 16 HA LYS 16 1.919 12.491 5.720 126 HB2 LYS 16 2HB LYS 16 0.970 10.524 6.940 127 HB3 LYS 16 1HB LYS 16 1.817 11.665 7.966 128 HG2 LYS 16 2HG LYS 16 -0.433 12.651 8.530 129 HG3 LYS 16 1HG LYS 16 -1.146 11.257 7.717 130 HD2 LYS 16 2HD LYS 16 0.377 9.859 9.251 131 HD3 LYS 16 1HD LYS 16 0.531 11.334 10.200 132 HE2 LYS 16 2HE LYS 16 -2.070 9.984 9.496 133 HE3 LYS 16 1HE LYS 16 -1.241 9.842 11.043 134 HZ1 LYS 16 3HZ LYS 16 -3.042 11.808 10.221 135 HZ2 LYS 16 1HZ LYS 16 -1.540 12.562 10.444 136 HZ3 LYS 16 2HZ LYS 16 -2.235 11.681 11.706 137 H TYR 17 H TYR 17 0.687 10.379 4.888 138 HA TYR 17 HA TYR 17 -1.433 11.394 3.158 139 HB2 TYR 17 2HB TYR 17 -0.189 8.648 3.009 140 HB3 TYR 17 1HB TYR 17 -1.007 9.545 1.722 141 HD1 TYR 17 1HD TYR 17 2.101 9.330 3.717 142 HD2 TYR 17 2HD TYR 17 0.166 11.182 0.428 143 HE1 TYR 17 1HE TYR 17 4.254 10.247 2.983 144 HE2 TYR 17 2HE TYR 17 2.313 12.129 -0.315 145 HH TYR 17 HH TYR 17 4.499 12.541 0.359 146 H GLY 18 H GLY 18 -1.308 10.278 6.086 147 HA2 GLY 18 2HA GLY 18 -2.783 9.533 7.610 148 HA3 GLY 18 1HA GLY 18 -4.022 9.756 6.409 149 H PHE 19 H PHE 19 -2.584 7.701 4.734 150 HA PHE 19 HA PHE 19 -4.118 5.536 5.862 151 HB2 PHE 19 2HB PHE 19 -4.082 4.454 3.810 152 HB3 PHE 19 1HB PHE 19 -4.213 6.133 3.426 153 HD1 PHE 19 2HD PHE 19 -1.989 7.360 2.857 154 HD2 PHE 19 1HD PHE 19 -2.485 3.140 2.837 155 HE1 PHE 19 2HE PHE 19 -0.011 7.133 1.399 156 HE2 PHE 19 1HE PHE 19 -0.518 2.901 1.389 157 HZ PHE 19 HZ PHE 19 0.723 4.902 0.667 158 H THR 20 H THR 20 -3.519 3.570 6.265 159 HA THR 20 HA THR 20 -0.756 3.290 7.189 160 HB THR 20 HB THR 20 -3.222 1.630 7.779 161 HG1 THR 20 1HG THR 20 -3.038 3.856 8.646 162 HG21 THR 20 3HG2 THR 20 -0.593 1.516 9.253 163 HG22 THR 20 1HG2 THR 20 -1.014 0.400 7.953 164 HG23 THR 20 2HG2 THR 20 -1.987 0.443 9.425 165 H LEU 21 H LEU 21 0.656 2.305 5.776 166 HA LEU 21 HA LEU 21 -0.380 0.428 3.817 167 HB2 LEU 21 2HB LEU 21 1.598 2.183 3.506 168 HB3 LEU 21 1HB LEU 21 2.558 0.874 4.130 169 HG LEU 21 HG LEU 21 2.504 -0.240 2.191 170 HD11 LEU 21 1HD1 LEU 21 -0.369 0.584 1.804 171 HD12 LEU 21 2HD1 LEU 21 0.188 -0.942 2.491 172 HD13 LEU 21 3HD1 LEU 21 0.524 -0.561 0.802 173 HD21 LEU 21 3HD2 LEU 21 2.988 2.100 1.558 174 HD22 LEU 21 1HD2 LEU 21 1.295 2.286 1.109 175 HD23 LEU 21 2HD2 LEU 21 2.312 1.132 0.247 176 H ARG 22 H ARG 22 -1.053 -1.287 5.103 177 HA ARG 22 HA ARG 22 0.608 -2.569 7.024 178 HB2 ARG 22 2HB ARG 22 -2.009 -2.677 6.550 179 HB3 ARG 22 1HB ARG 22 -1.542 -4.073 5.597 180 HG2 ARG 22 2HG ARG 22 -2.085 -4.962 7.662 181 HG3 ARG 22 1HG ARG 22 -0.324 -4.860 7.703 182 HD2 ARG 22 2HD ARG 22 -0.349 -3.012 9.129 183 HD3 ARG 22 1HD ARG 22 -2.035 -2.634 8.756 184 HE ARG 22 HE ARG 22 -1.997 -5.158 9.919 185 HH11 ARG 22 1HH1 ARG 22 -1.216 -1.880 10.849 186 HH12 ARG 22 2HH1 ARG 22 -1.584 -2.131 12.529 187 HH21 ARG 22 1HH2 ARG 22 -2.520 -5.488 12.101 188 HH22 ARG 22 2HH2 ARG 22 -2.346 -4.184 13.232 189 H ALA 23 H ALA 23 1.796 -4.518 6.812 190 HA ALA 23 HA ALA 23 2.537 -5.192 4.046 191 HB1 ALA 23 1HB ALA 23 4.545 -6.275 5.203 192 HB2 ALA 23 2HB ALA 23 4.040 -5.381 6.636 193 HB3 ALA 23 3HB ALA 23 4.476 -4.513 5.164 194 H ILE 24 H ILE 24 2.700 -7.350 3.389 195 HA ILE 24 HA ILE 24 1.815 -9.440 5.223 196 HB ILE 24 HB ILE 24 0.322 -10.322 3.299 197 HG12 ILE 24 2HG1 ILE 24 -0.026 -7.397 2.694 198 HG13 ILE 24 1HG1 ILE 24 1.142 -8.369 1.805 199 HG21 ILE 24 1HG2 ILE 24 -0.531 -8.004 5.022 200 HG22 ILE 24 2HG2 ILE 24 -0.544 -9.709 5.467 201 HG23 ILE 24 3HG2 ILE 24 -1.627 -9.120 4.207 202 HD11 ILE 24 3HD1 ILE 24 -0.995 -8.170 0.637 203 HD12 ILE 24 1HD1 ILE 24 -1.802 -8.941 2.002 204 HD13 ILE 24 2HD1 ILE 24 -0.623 -9.844 1.051 205 H ARG 25 H ARG 25 1.858 -11.622 3.979 206 HA ARG 25 HA ARG 25 3.887 -11.715 1.886 207 HB2 ARG 25 2HB ARG 25 4.187 -13.053 4.582 208 HB3 ARG 25 1HB ARG 25 5.093 -13.544 3.161 209 HG2 ARG 25 2HG ARG 25 6.206 -11.440 3.050 210 HG3 ARG 25 1HG ARG 25 5.165 -10.769 4.309 211 HD2 ARG 25 2HD ARG 25 6.721 -11.389 5.771 212 HD3 ARG 25 1HD ARG 25 6.232 -13.050 5.460 213 HE ARG 25 HE ARG 25 8.000 -12.724 3.526 214 HH11 ARG 25 1HH1 ARG 25 8.186 -11.711 6.868 215 HH12 ARG 25 2HH1 ARG 25 9.913 -11.869 6.956 216 HH21 ARG 25 1HH2 ARG 25 10.275 -12.937 3.620 217 HH22 ARG 25 2HH2 ARG 25 11.099 -12.576 5.108 218 H VAL 26 H VAL 26 2.202 -12.466 0.573 219 HA VAL 26 HA VAL 26 0.602 -14.711 1.364 220 HB VAL 26 HB VAL 26 -0.141 -14.648 -1.088 221 HG11 VAL 26 1HG1 VAL 26 -1.483 -12.565 -0.694 222 HG12 VAL 26 2HG1 VAL 26 -0.533 -12.307 0.771 223 HG13 VAL 26 3HG1 VAL 26 -1.545 -13.743 0.618 224 HG21 VAL 26 3HG2 VAL 26 1.853 -13.415 -1.900 225 HG22 VAL 26 1HG2 VAL 26 1.277 -11.995 -1.026 226 HG23 VAL 26 2HG2 VAL 26 0.319 -12.667 -2.344 227 H TYR 27 H TYR 27 1.609 -16.564 1.619 228 HA TYR 27 HA TYR 27 3.712 -17.453 -0.138 229 HB2 TYR 27 2HB TYR 27 2.395 -18.537 2.328 230 HB3 TYR 27 1HB TYR 27 3.356 -19.611 1.320 231 HD1 TYR 27 2HD TYR 27 3.558 -16.346 3.120 232 HD2 TYR 27 1HD TYR 27 5.647 -19.745 1.648 233 HE1 TYR 27 2HE TYR 27 5.601 -15.577 4.253 234 HE2 TYR 27 1HE TYR 27 7.695 -18.982 2.773 235 HH TYR 27 HH TYR 27 8.683 -17.102 3.724 236 H MET 28 H MET 28 3.529 -18.883 -1.794 237 HA MET 28 HA MET 28 0.821 -19.669 -2.536 238 HB2 MET 28 2HB MET 28 3.453 -19.737 -4.005 239 HB3 MET 28 1HB MET 28 2.011 -20.489 -4.632 240 HG2 MET 28 2HG MET 28 2.355 -17.624 -4.006 241 HG3 MET 28 1HG MET 28 2.359 -18.331 -5.606 242 HE1 MET 28 3HE MET 28 0.687 -16.477 -6.226 243 HE2 MET 28 1HE MET 28 0.294 -15.840 -4.630 244 HE3 MET 28 2HE MET 28 -0.994 -16.395 -5.701 245 H GLY 29 H GLY 29 0.510 -21.202 -0.883 246 HA2 GLY 29 2HA GLY 29 0.296 -23.441 -0.316 247 HA3 GLY 29 1HA GLY 29 1.445 -23.843 -1.587 248 H ASP 30 H ASP 30 2.361 -25.313 0.028 249 HA ASP 30 HA ASP 30 3.809 -24.010 2.205 250 HB2 ASP 30 2HB ASP 30 2.577 -26.125 2.659 251 HB3 ASP 30 1HB ASP 30 3.639 -26.956 1.528 252 H SER 31 H SER 31 5.316 -22.867 0.972 253 HA SER 31 HA SER 31 7.705 -24.303 0.362 254 HB2 SER 31 2HB SER 31 7.537 -23.139 -2.086 255 HB3 SER 31 1HB SER 31 7.110 -24.821 -1.773 256 HG SER 31 HG SER 31 5.049 -23.143 -1.211 257 H ASP 32 H ASP 32 9.264 -22.633 -0.877 258 HA ASP 32 HA ASP 32 9.338 -20.318 0.834 259 HB2 ASP 32 2HB ASP 32 11.540 -20.028 0.151 260 HB3 ASP 32 1HB ASP 32 11.328 -21.769 0.015 261 H VAL 33 H VAL 33 7.817 -20.934 -2.043 262 HA VAL 33 HA VAL 33 8.260 -18.393 -3.304 263 HB VAL 33 HB VAL 33 7.769 -20.059 -4.855 264 HG11 VAL 33 1HG1 VAL 33 5.732 -21.476 -4.763 265 HG12 VAL 33 2HG1 VAL 33 5.395 -20.816 -3.162 266 HG13 VAL 33 3HG1 VAL 33 6.857 -21.766 -3.437 267 HG21 VAL 33 3HG2 VAL 33 6.593 -17.950 -5.281 268 HG22 VAL 33 1HG2 VAL 33 5.171 -18.588 -4.459 269 HG23 VAL 33 2HG2 VAL 33 5.734 -19.335 -5.954 270 H TYR 34 H TYR 34 7.400 -16.603 -2.729 271 HA TYR 34 HA TYR 34 4.634 -16.364 -2.023 272 HB2 TYR 34 2HB TYR 34 4.867 -15.514 0.190 273 HB3 TYR 34 1HB TYR 34 5.742 -17.036 0.143 274 HD1 TYR 34 2HD TYR 34 8.262 -16.981 0.011 275 HD2 TYR 34 1HD TYR 34 5.943 -13.500 0.793 276 HE1 TYR 34 2HE TYR 34 10.250 -15.872 0.937 277 HE2 TYR 34 1HE TYR 34 7.926 -12.387 1.726 278 HH TYR 34 HH TYR 34 11.036 -13.477 1.268 279 H THR 35 H THR 35 3.894 -14.220 -2.148 280 HA THR 35 HA THR 35 5.869 -12.389 -3.336 281 HB THR 35 HB THR 35 3.131 -11.539 -3.646 282 HG1 THR 35 1HG THR 35 3.828 -14.189 -4.397 283 HG21 THR 35 3HG2 THR 35 5.006 -10.734 -4.991 284 HG22 THR 35 1HG2 THR 35 3.776 -11.478 -6.014 285 HG23 THR 35 2HG2 THR 35 5.253 -12.360 -5.628 286 H VAL 36 H VAL 36 6.318 -10.535 -2.352 287 HA VAL 36 HA VAL 36 5.049 -9.997 0.203 288 HB VAL 36 HB VAL 36 7.205 -8.289 -1.011 289 HG11 VAL 36 1HG1 VAL 36 7.780 -7.907 1.343 290 HG12 VAL 36 2HG1 VAL 36 6.459 -8.969 1.831 291 HG13 VAL 36 3HG1 VAL 36 6.110 -7.456 0.996 292 HG21 VAL 36 3HG2 VAL 36 8.157 -10.440 -1.205 293 HG22 VAL 36 1HG2 VAL 36 7.500 -10.954 0.348 294 HG23 VAL 36 2HG2 VAL 36 8.803 -9.766 0.290 295 H HIS 37 H HIS 37 3.058 -9.212 -0.212 296 HA HIS 37 HA HIS 37 2.825 -6.843 -1.930 297 HB2 HIS 37 2HB HIS 37 0.731 -8.771 -0.902 298 HB3 HIS 37 1HB HIS 37 0.348 -7.290 -1.765 299 HD2 HIS 37 2HD HIS 37 0.054 -10.642 -2.703 300 HE1 HIS 37 1HE HIS 37 2.260 -9.054 -5.951 301 HE2 HIS 37 2HE HIS 37 0.686 -10.900 -5.208 302 H HIS 38 H HIS 38 0.694 -5.585 -0.975 303 HA HIS 38 HA HIS 38 0.896 -5.213 1.894 304 HB2 HIS 38 2HB HIS 38 1.572 -2.983 -0.050 305 HB3 HIS 38 1HB HIS 38 1.286 -2.757 1.672 306 HD2 HIS 38 2HD HIS 38 4.110 -3.451 -0.714 307 HE1 HIS 38 1HE HIS 38 5.494 -4.516 3.130 308 HE2 HIS 38 2HE HIS 38 6.083 -4.408 0.674 309 H MET 39 H MET 39 -0.746 -3.573 2.618 310 HA MET 39 HA MET 39 -2.930 -3.089 0.753 311 HB2 MET 39 2HB MET 39 -3.081 -5.047 3.030 312 HB3 MET 39 1HB MET 39 -4.504 -4.134 2.563 313 HG2 MET 39 2HG MET 39 -3.276 -5.316 0.255 314 HG3 MET 39 1HG MET 39 -3.585 -6.536 1.485 315 HE1 MET 39 3HE MET 39 -6.080 -6.844 2.627 316 HE2 MET 39 1HE MET 39 -7.469 -5.890 2.112 317 HE3 MET 39 2HE MET 39 -6.122 -5.109 2.935 318 H VAL 40 H VAL 40 -4.156 -1.344 1.363 319 HA VAL 40 HA VAL 40 -3.172 0.235 3.531 320 HB VAL 40 HB VAL 40 -3.878 1.511 1.690 321 HG11 VAL 40 1HG1 VAL 40 -6.712 0.693 1.690 322 HG12 VAL 40 2HG1 VAL 40 -5.558 -0.477 1.052 323 HG13 VAL 40 3HG1 VAL 40 -5.655 1.136 0.350 324 HG21 VAL 40 3HG2 VAL 40 -4.579 2.304 3.995 325 HG22 VAL 40 1HG2 VAL 40 -6.209 1.783 3.570 326 HG23 VAL 40 2HG2 VAL 40 -5.412 3.042 2.625 327 H TRP 41 H TRP 41 -3.531 -0.360 5.473 328 HA TRP 41 HA TRP 41 -5.680 -1.987 6.361 329 HB2 TRP 41 2HB TRP 41 -3.240 -1.535 7.285 330 HB3 TRP 41 1HB TRP 41 -4.080 -0.335 8.251 331 HD1 TRP 41 HD TRP 41 -4.547 -1.254 10.555 332 HE1 TRP 41 1HE TRP 41 -5.240 -3.520 11.542 333 HE3 TRP 41 3HE TRP 41 -4.744 -3.983 6.237 334 HZ2 TRP 41 2HZ TRP 41 -5.826 -6.130 10.597 335 HZ3 TRP 41 3HZ TRP 41 -5.386 -6.353 6.361 336 HH2 TRP 41 HH TRP 41 -5.915 -7.401 8.501 337 H HIS 42 H HIS 42 -4.899 1.413 6.744 338 HA HIS 42 HA HIS 42 -7.694 2.075 7.215 339 HB2 HIS 42 2HB HIS 42 -6.292 1.524 9.412 340 HB3 HIS 42 1HB HIS 42 -5.746 3.170 9.188 341 HD2 HIS 42 2HD HIS 42 -7.890 5.104 9.189 342 HE1 HIS 42 1HE HIS 42 -10.352 2.576 11.519 343 HE2 HIS 42 2HE HIS 42 -10.104 4.893 10.523 344 H VAL 43 H VAL 43 -8.143 4.026 6.352 345 HA VAL 43 HA VAL 43 -5.874 5.810 5.864 346 HB VAL 43 HB VAL 43 -6.336 4.853 3.749 347 HG11 VAL 43 1HG1 VAL 43 -8.485 3.916 4.091 348 HG12 VAL 43 2HG1 VAL 43 -8.574 5.012 2.713 349 HG13 VAL 43 3HG1 VAL 43 -9.208 5.513 4.281 350 HG21 VAL 43 3HG2 VAL 43 -5.889 7.198 3.613 351 HG22 VAL 43 1HG2 VAL 43 -7.571 7.586 3.975 352 HG23 VAL 43 2HG2 VAL 43 -7.157 6.806 2.451 353 H GLU 44 H GLU 44 -6.090 7.788 6.498 354 HA GLU 44 HA GLU 44 -8.262 8.603 8.082 355 HB2 GLU 44 2HB GLU 44 -5.933 10.120 6.925 356 HB3 GLU 44 1HB GLU 44 -7.045 10.761 8.110 357 HG2 GLU 44 2HG GLU 44 -6.373 8.580 9.424 358 HG3 GLU 44 1HG GLU 44 -4.934 8.715 8.416 359 H ASP 45 H ASP 45 -10.133 9.357 7.480 360 HA ASP 45 HA ASP 45 -10.610 10.265 4.764 361 HB2 ASP 45 2HB ASP 45 -12.999 10.282 5.489 362 HB3 ASP 45 1HB ASP 45 -12.215 8.719 5.686 363 H GLY 46 H GLY 46 -9.146 11.848 6.927 364 HA2 GLY 46 2HA GLY 46 -10.929 14.155 7.122 365 HA3 GLY 46 1HA GLY 46 -9.442 13.925 8.019 366 H GLY 47 H GLY 47 -8.815 13.156 4.796 367 HA2 GLY 47 2HA GLY 47 -8.749 15.496 3.416 368 HA3 GLY 47 1HA GLY 47 -7.397 15.653 4.514 369 HA PRO 48 HA PRO 48 -4.619 13.320 2.037 370 HB2 PRO 48 2HB PRO 48 -4.742 10.895 3.741 371 HB3 PRO 48 1HB PRO 48 -3.349 11.833 3.209 372 HG2 PRO 48 2HG PRO 48 -4.181 12.071 5.684 373 HG3 PRO 48 1HG PRO 48 -3.755 13.532 4.764 374 HD2 PRO 48 2HD PRO 48 -6.471 12.385 5.324 375 HD3 PRO 48 1HD PRO 48 -5.897 14.055 5.461 376 H ALA 49 H ALA 49 -4.488 10.294 2.151 377 HA ALA 49 HA ALA 49 -5.248 9.631 -0.333 378 HB1 ALA 49 1HB ALA 49 -4.446 7.623 0.166 379 HB2 ALA 49 2HB ALA 49 -5.550 7.391 1.527 380 HB3 ALA 49 3HB ALA 49 -4.072 8.331 1.739 381 H SER 50 H SER 50 -7.494 9.524 2.440 382 HA SER 50 HA SER 50 -9.445 7.949 1.156 383 HB2 SER 50 2HB SER 50 -9.365 9.788 3.481 384 HB3 SER 50 1HB SER 50 -10.947 9.397 2.818 385 HG SER 50 HG SER 50 -10.072 7.113 2.954 386 H GLU 51 H GLU 51 -9.251 11.477 1.534 387 HA GLU 51 HA GLU 51 -11.515 12.062 -0.041 388 HB2 GLU 51 2HB GLU 51 -9.126 13.745 0.694 389 HB3 GLU 51 1HB GLU 51 -10.564 14.364 -0.107 390 HG2 GLU 51 2HG GLU 51 -10.836 12.880 2.464 391 HG3 GLU 51 1HG GLU 51 -10.309 14.564 2.474 392 H ALA 52 H ALA 52 -8.272 11.308 -0.801 393 HA ALA 52 HA ALA 52 -8.199 12.420 -3.420 394 HB1 ALA 52 1HB ALA 52 -6.127 12.060 -2.348 395 HB2 ALA 52 2HB ALA 52 -6.206 10.872 -3.651 396 HB3 ALA 52 3HB ALA 52 -6.522 10.381 -1.985 397 H GLY 53 H GLY 53 -9.456 9.497 -2.047 398 HA2 GLY 53 2HA GLY 53 -11.156 8.488 -3.611 399 HA3 GLY 53 1HA GLY 53 -9.833 8.402 -4.755 400 H LEU 54 H LEU 54 -8.303 7.787 -2.000 401 HA LEU 54 HA LEU 54 -8.159 4.981 -2.479 402 HB2 LEU 54 2HB LEU 54 -6.347 6.546 -1.525 403 HB3 LEU 54 1HB LEU 54 -7.151 6.325 0.008 404 HG LEU 54 HG LEU 54 -6.116 4.023 -1.639 405 HD11 LEU 54 1HD1 LEU 54 -4.261 5.525 -1.048 406 HD12 LEU 54 2HD1 LEU 54 -4.177 3.985 -0.192 407 HD13 LEU 54 3HD1 LEU 54 -4.743 5.430 0.646 408 HD21 LEU 54 3HD2 LEU 54 -6.195 2.912 0.577 409 HD22 LEU 54 1HD2 LEU 54 -7.766 3.390 -0.065 410 HD23 LEU 54 2HD2 LEU 54 -7.003 4.348 1.202 411 H ARG 55 H ARG 55 -9.648 3.603 -1.946 412 HA ARG 55 HA ARG 55 -11.408 4.124 0.304 413 HB2 ARG 55 2HB ARG 55 -12.621 2.097 -0.471 414 HB3 ARG 55 1HB ARG 55 -12.485 3.331 -1.712 415 HG2 ARG 55 2HG ARG 55 -11.818 1.667 -3.042 416 HG3 ARG 55 1HG ARG 55 -10.277 1.782 -2.191 417 HD2 ARG 55 2HD ARG 55 -11.022 -0.525 -2.245 418 HD3 ARG 55 1HD ARG 55 -11.064 0.078 -0.590 419 HE ARG 55 HE ARG 55 -13.587 0.430 -1.810 420 HH11 ARG 55 1HH1 ARG 55 -11.524 -2.065 -0.490 421 HH12 ARG 55 2HH1 ARG 55 -12.842 -3.121 -0.088 422 HH21 ARG 55 1HH2 ARG 55 -15.334 -0.954 -1.261 423 HH22 ARG 55 2HH2 ARG 55 -15.001 -2.490 -0.527 424 H GLN 56 H GLN 56 -10.953 3.390 2.285 425 HA GLN 56 HA GLN 56 -8.801 1.880 3.049 426 HB2 GLN 56 2HB GLN 56 -10.286 3.097 4.582 427 HB3 GLN 56 1HB GLN 56 -11.493 1.855 4.387 428 HG2 GLN 56 2HG GLN 56 -10.255 0.347 5.533 429 HG3 GLN 56 1HG GLN 56 -8.747 1.198 5.307 430 HE21 GLN 56 1HE2 GLN 56 -10.212 0.215 7.726 431 HE22 GLN 56 2HE2 GLN 56 -10.293 1.594 8.763 432 H GLY 57 H GLY 57 -8.230 -0.193 3.041 433 HA2 GLY 57 2HA GLY 57 -8.499 -2.520 2.984 434 HA3 GLY 57 1HA GLY 57 -10.221 -2.289 2.706 435 H ASP 58 H ASP 58 -7.123 -1.668 1.103 436 HA ASP 58 HA ASP 58 -8.144 -2.857 -1.357 437 HB2 ASP 58 2HB ASP 58 -8.391 -0.203 -1.192 438 HB3 ASP 58 1HB ASP 58 -6.699 -0.273 -1.674 439 H LEU 59 H LEU 59 -6.519 -3.605 -2.725 440 HA LEU 59 HA LEU 59 -3.974 -4.022 -1.356 441 HB2 LEU 59 2HB LEU 59 -4.907 -6.047 -2.137 442 HB3 LEU 59 1HB LEU 59 -5.309 -5.356 -3.694 443 HG LEU 59 HG LEU 59 -2.723 -5.106 -3.957 444 HD11 LEU 59 1HD1 LEU 59 -2.225 -5.747 -1.632 445 HD12 LEU 59 2HD1 LEU 59 -1.449 -6.809 -2.811 446 HD13 LEU 59 3HD1 LEU 59 -2.891 -7.351 -1.952 447 HD21 LEU 59 3HD2 LEU 59 -4.188 -7.730 -4.151 448 HD22 LEU 59 1HD2 LEU 59 -2.619 -7.404 -4.888 449 HD23 LEU 59 2HD2 LEU 59 -4.042 -6.495 -5.401 450 H ILE 60 H ILE 60 -2.169 -3.034 -1.926 451 HA ILE 60 HA ILE 60 -2.247 -1.153 -4.135 452 HB ILE 60 HB ILE 60 -0.131 -1.656 -2.030 453 HG12 ILE 60 2HG1 ILE 60 -0.839 0.768 -1.446 454 HG13 ILE 60 1HG1 ILE 60 -2.282 0.415 -2.385 455 HG21 ILE 60 1HG2 ILE 60 0.959 0.372 -2.873 456 HG22 ILE 60 2HG2 ILE 60 -0.227 0.462 -4.177 457 HG23 ILE 60 3HG2 ILE 60 0.901 -0.893 -4.100 458 HD11 ILE 60 3HD1 ILE 60 -1.367 -1.193 -0.016 459 HD12 ILE 60 1HD1 ILE 60 -2.895 -1.340 -0.886 460 HD13 ILE 60 2HD1 ILE 60 -2.551 0.114 0.055 461 H THR 61 H THR 61 -1.450 -1.580 -6.066 462 HA THR 61 HA THR 61 0.200 -3.979 -6.396 463 HB THR 61 HB THR 61 -0.446 -3.925 -8.741 464 HG1 THR 61 1HG THR 61 -0.702 -1.857 -9.345 465 HG21 THR 61 3HG2 THR 61 -2.869 -3.429 -7.003 466 HG22 THR 61 1HG2 THR 61 -1.997 -4.961 -7.103 467 HG23 THR 61 2HG2 THR 61 -2.828 -4.327 -8.523 468 H HIS 62 H HIS 62 0.064 -0.534 -7.102 469 HA HIS 62 HA HIS 62 2.957 -0.545 -7.605 470 HB2 HIS 62 2HB HIS 62 0.922 0.886 -9.329 471 HB3 HIS 62 1HB HIS 62 2.663 1.010 -9.492 472 HD2 HIS 62 2HD HIS 62 3.905 -1.452 -10.358 473 HE1 HIS 62 1HE HIS 62 0.299 -2.852 -12.070 474 HE2 HIS 62 2HE HIS 62 2.772 -3.317 -11.761 475 H VAL 63 H VAL 63 3.975 1.470 -7.230 476 HA VAL 63 HA VAL 63 2.329 3.564 -6.031 477 HB VAL 63 HB VAL 63 3.161 2.317 -4.133 478 HG11 VAL 63 1HG1 VAL 63 5.092 1.245 -5.170 479 HG12 VAL 63 2HG1 VAL 63 5.529 2.043 -3.659 480 HG13 VAL 63 3HG1 VAL 63 5.935 2.794 -5.203 481 HG21 VAL 63 3HG2 VAL 63 4.827 4.256 -3.305 482 HG22 VAL 63 1HG2 VAL 63 3.075 4.443 -3.393 483 HG23 VAL 63 2HG2 VAL 63 4.092 5.052 -4.698 484 H ASN 64 H ASN 64 2.649 5.287 -7.214 485 HA ASN 64 HA ASN 64 3.612 6.893 -8.508 486 HB2 ASN 64 2HB ASN 64 5.264 6.543 -6.278 487 HB3 ASN 64 1HB ASN 64 6.358 6.599 -7.657 488 HD21 ASN 64 1HD2 ASN 64 7.215 8.586 -7.308 489 HD22 ASN 64 2HD2 ASN 64 6.302 10.055 -7.348 490 H GLY 65 H GLY 65 3.507 4.219 -9.537 491 HA2 GLY 65 2HA GLY 65 4.134 3.220 -11.517 492 HA3 GLY 65 1HA GLY 65 5.269 4.533 -11.762 493 H GLU 66 H GLU 66 5.091 2.303 -9.051 494 HA GLU 66 HA GLU 66 7.447 0.885 -9.920 495 HB2 GLU 66 2HB GLU 66 7.824 3.022 -8.422 496 HB3 GLU 66 1HB GLU 66 7.398 1.913 -7.133 497 HG2 GLU 66 2HG GLU 66 9.767 1.926 -7.312 498 HG3 GLU 66 1HG GLU 66 9.183 0.379 -7.922 499 HA PRO 67 HA PRO 67 4.559 -2.304 -8.442 500 HB2 PRO 67 2HB PRO 67 6.816 -4.077 -8.674 501 HB3 PRO 67 1HB PRO 67 5.362 -4.017 -9.669 502 HG2 PRO 67 2HG PRO 67 8.019 -2.949 -10.211 503 HG3 PRO 67 1HG PRO 67 6.668 -3.211 -11.326 504 HD2 PRO 67 2HD PRO 67 7.528 -0.751 -10.511 505 HD3 PRO 67 1HD PRO 67 5.884 -1.074 -11.051 506 H VAL 68 H VAL 68 4.218 -2.827 -6.483 507 HA VAL 68 HA VAL 68 6.201 -2.299 -4.424 508 HB VAL 68 HB VAL 68 4.371 -2.653 -2.820 509 HG11 VAL 68 1HG1 VAL 68 3.729 -0.769 -5.088 510 HG12 VAL 68 2HG1 VAL 68 4.703 -0.421 -3.657 511 HG13 VAL 68 3HG1 VAL 68 2.974 -0.720 -3.493 512 HG21 VAL 68 3HG2 VAL 68 2.664 -3.141 -5.254 513 HG22 VAL 68 1HG2 VAL 68 2.085 -3.009 -3.595 514 HG23 VAL 68 2HG2 VAL 68 3.133 -4.350 -4.059 515 H HIS 69 H HIS 69 5.165 -4.691 -6.288 516 HA HIS 69 HA HIS 69 4.983 -6.994 -4.847 517 HB2 HIS 69 2HB HIS 69 5.887 -6.252 -7.602 518 HB3 HIS 69 1HB HIS 69 5.840 -7.901 -7.079 519 HD2 HIS 69 2HD HIS 69 2.970 -5.520 -6.032 520 HE1 HIS 69 1HE HIS 69 1.528 -8.217 -8.960 521 HE2 HIS 69 2HE HIS 69 0.876 -6.548 -7.174 522 H GLY 70 H GLY 70 6.488 -7.279 -3.215 523 HA2 GLY 70 2HA GLY 70 8.489 -8.595 -2.808 524 HA3 GLY 70 1HA GLY 70 9.245 -7.759 -4.154 525 H LEU 71 H LEU 71 7.707 -5.318 -2.828 526 HA LEU 71 HA LEU 71 10.053 -4.349 -1.478 527 HB2 LEU 71 2HB LEU 71 7.294 -3.142 -1.726 528 HB3 LEU 71 1HB LEU 71 8.686 -2.324 -1.051 529 HG LEU 71 HG LEU 71 8.204 -3.096 -3.917 530 HD11 LEU 71 1HD1 LEU 71 7.229 -0.995 -3.084 531 HD12 LEU 71 2HD1 LEU 71 8.469 -0.724 -4.309 532 HD13 LEU 71 3HD1 LEU 71 8.838 -0.457 -2.605 533 HD21 LEU 71 3HD2 LEU 71 10.474 -3.692 -3.575 534 HD22 LEU 71 1HD2 LEU 71 10.775 -2.259 -2.594 535 HD23 LEU 71 2HD2 LEU 71 10.483 -2.096 -4.326 536 H VAL 72 H VAL 72 10.378 -4.085 0.694 537 HA VAL 72 HA VAL 72 8.684 -5.624 2.445 538 HB VAL 72 HB VAL 72 11.326 -5.142 2.498 539 HG11 VAL 72 1HG1 VAL 72 12.044 -3.540 4.011 540 HG12 VAL 72 2HG1 VAL 72 10.441 -3.343 4.719 541 HG13 VAL 72 3HG1 VAL 72 10.778 -2.705 3.112 542 HG21 VAL 72 3HG2 VAL 72 11.387 -6.086 4.700 543 HG22 VAL 72 1HG2 VAL 72 10.061 -6.821 3.803 544 HG23 VAL 72 2HG2 VAL 72 9.728 -5.582 5.011 545 H HIS 73 H HIS 73 8.059 -4.554 4.616 546 HA HIS 73 HA HIS 73 6.014 -2.791 4.365 547 HB2 HIS 73 2HB HIS 73 6.799 -4.076 6.428 548 HB3 HIS 73 1HB HIS 73 7.871 -2.734 6.731 549 HD1 HIS 73 1HD HIS 73 4.119 -3.297 6.316 550 HD2 HIS 73 2HD HIS 73 6.821 -0.764 8.181 551 HE1 HIS 73 1HE HIS 73 2.762 -1.823 7.850 552 H THR 74 H THR 74 9.281 -1.902 5.353 553 HA THR 74 HA THR 74 8.723 0.877 5.410 554 HB THR 74 HB THR 74 11.028 1.126 6.033 555 HG1 THR 74 1HG THR 74 12.207 -0.133 4.665 556 HG21 THR 74 3HG2 THR 74 9.731 0.227 7.803 557 HG22 THR 74 1HG2 THR 74 11.205 -0.741 7.762 558 HG23 THR 74 2HG2 THR 74 9.707 -1.384 7.069 559 H GLU 75 H GLU 75 9.679 -1.264 2.883 560 HA GLU 75 HA GLU 75 11.083 0.624 1.314 561 HB2 GLU 75 2HB GLU 75 9.883 -2.062 0.792 562 HB3 GLU 75 1HB GLU 75 10.445 -1.075 -0.545 563 HG2 GLU 75 2HG GLU 75 12.650 -0.905 0.680 564 HG3 GLU 75 1HG GLU 75 12.043 -2.175 1.738 565 H VAL 76 H VAL 76 7.680 -0.432 1.384 566 HA VAL 76 HA VAL 76 6.927 1.147 -0.849 567 HB VAL 76 HB VAL 76 4.595 0.959 0.021 568 HG11 VAL 76 1HG1 VAL 76 6.163 -1.589 -0.227 569 HG12 VAL 76 2HG1 VAL 76 5.511 -0.627 -1.554 570 HG13 VAL 76 3HG1 VAL 76 4.419 -1.431 -0.427 571 HG21 VAL 76 3HG2 VAL 76 5.971 -0.009 2.398 572 HG22 VAL 76 1HG2 VAL 76 4.679 -1.076 1.849 573 HG23 VAL 76 2HG2 VAL 76 4.325 0.621 2.217 574 H VAL 77 H VAL 77 6.723 1.681 2.630 575 HA VAL 77 HA VAL 77 5.634 4.199 2.721 576 HB VAL 77 HB VAL 77 7.874 3.228 4.476 577 HG11 VAL 77 1HG1 VAL 77 7.281 5.626 4.683 578 HG12 VAL 77 2HG1 VAL 77 7.011 4.699 6.160 579 HG13 VAL 77 3HG1 VAL 77 5.649 5.137 5.130 580 HG21 VAL 77 3HG2 VAL 77 6.129 1.541 4.384 581 HG22 VAL 77 1HG2 VAL 77 4.910 2.755 4.770 582 HG23 VAL 77 2HG2 VAL 77 6.139 2.325 5.963 583 H GLU 78 H GLU 78 9.048 3.306 2.354 584 HA GLU 78 HA GLU 78 10.020 5.947 2.178 585 HB2 GLU 78 2HB GLU 78 11.113 3.266 1.423 586 HB3 GLU 78 1HB GLU 78 11.981 4.735 0.991 587 HG2 GLU 78 2HG GLU 78 11.726 5.371 3.447 588 HG3 GLU 78 1HG GLU 78 11.324 3.673 3.699 589 H LEU 79 H LEU 79 9.080 3.582 -0.259 590 HA LEU 79 HA LEU 79 9.742 4.947 -2.575 591 HB2 LEU 79 2HB LEU 79 8.259 2.670 -1.911 592 HB3 LEU 79 1HB LEU 79 7.131 3.688 -2.782 593 HG LEU 79 HG LEU 79 8.122 2.200 -4.357 594 HD11 LEU 79 1HD1 LEU 79 7.823 4.559 -5.062 595 HD12 LEU 79 2HD1 LEU 79 9.087 3.705 -5.945 596 HD13 LEU 79 3HD1 LEU 79 9.521 4.848 -4.675 597 HD21 LEU 79 3HD2 LEU 79 10.135 1.751 -2.881 598 HD22 LEU 79 1HD2 LEU 79 10.858 3.189 -3.601 599 HD23 LEU 79 2HD2 LEU 79 10.430 1.813 -4.618 600 H ILE 80 H ILE 80 6.934 5.274 -0.481 601 HA ILE 80 HA ILE 80 5.560 7.153 -2.101 602 HB ILE 80 HB ILE 80 5.304 6.279 0.766 603 HG12 ILE 80 2HG1 ILE 80 3.171 6.105 -1.317 604 HG13 ILE 80 1HG1 ILE 80 4.547 5.012 -1.431 605 HG21 ILE 80 1HG2 ILE 80 3.801 8.448 -0.664 606 HG22 ILE 80 2HG2 ILE 80 4.654 8.540 0.876 607 HG23 ILE 80 3HG2 ILE 80 3.161 7.611 0.750 608 HD11 ILE 80 3HD1 ILE 80 2.721 3.961 -0.270 609 HD12 ILE 80 1HD1 ILE 80 2.667 5.280 0.894 610 HD13 ILE 80 2HD1 ILE 80 4.071 4.217 0.836 611 H LEU 81 H LEU 81 7.471 7.487 0.896 612 HA LEU 81 HA LEU 81 7.378 10.271 1.091 613 HB2 LEU 81 2HB LEU 81 9.586 8.389 1.944 614 HB3 LEU 81 1HB LEU 81 9.436 10.059 2.458 615 HG LEU 81 HG LEU 81 7.367 7.941 3.035 616 HD11 LEU 81 1HD1 LEU 81 9.384 7.318 4.168 617 HD12 LEU 81 2HD1 LEU 81 8.276 8.026 5.344 618 HD13 LEU 81 3HD1 LEU 81 9.631 8.972 4.729 619 HD21 LEU 81 3HD2 LEU 81 7.776 10.755 4.036 620 HD22 LEU 81 1HD2 LEU 81 6.631 9.603 4.727 621 HD23 LEU 81 2HD2 LEU 81 6.432 10.153 3.065 622 H LYS 82 H LYS 82 9.394 8.163 -0.814 623 HA LYS 82 HA LYS 82 11.404 9.885 -1.643 624 HB2 LYS 82 2HB LYS 82 11.077 7.380 -2.029 625 HB3 LYS 82 1HB LYS 82 10.156 7.885 -3.416 626 HG2 LYS 82 2HG LYS 82 12.285 9.278 -3.982 627 HG3 LYS 82 1HG LYS 82 13.068 8.098 -2.932 628 HD2 LYS 82 2HD LYS 82 11.318 7.340 -5.263 629 HD3 LYS 82 1HD LYS 82 13.070 7.527 -5.382 630 HE2 LYS 82 2HE LYS 82 13.352 5.802 -3.652 631 HE3 LYS 82 1HE LYS 82 11.602 5.603 -3.581 632 HZ1 LYS 82 3HZ LYS 82 13.264 5.130 -5.993 633 HZ2 LYS 82 1HZ LYS 82 11.603 4.860 -5.856 634 HZ3 LYS 82 2HZ LYS 82 12.690 3.920 -4.965 635 H SER 83 H SER 83 8.189 9.366 -2.922 636 HA SER 83 HA SER 83 8.383 10.863 -5.254 637 HB2 SER 83 2HB SER 83 6.475 9.394 -4.660 638 HB3 SER 83 1HB SER 83 5.956 10.587 -3.470 639 HG SER 83 HG SER 83 5.002 11.595 -5.019 640 H GLY 84 H GLY 84 7.155 11.973 -2.064 641 HA2 GLY 84 2HA GLY 84 8.324 14.175 -1.469 642 HA3 GLY 84 1HA GLY 84 7.657 14.722 -2.994 643 H ASN 85 H ASN 85 6.080 16.070 -2.626 644 HA ASN 85 HA ASN 85 4.555 16.084 -0.205 645 HB2 ASN 85 2HB ASN 85 3.399 18.002 -1.188 646 HB3 ASN 85 1HB ASN 85 5.144 18.162 -1.351 647 HD21 ASN 85 1HD2 ASN 85 6.085 17.973 -3.373 648 HD22 ASN 85 2HD2 ASN 85 5.161 18.102 -4.829 649 H LYS 86 H LYS 86 4.273 14.198 -2.875 650 HA LYS 86 HA LYS 86 1.625 13.364 -2.169 651 HB2 LYS 86 2HB LYS 86 0.741 13.628 -4.421 652 HB3 LYS 86 1HB LYS 86 1.056 15.158 -3.667 653 HG2 LYS 86 2HG LYS 86 3.093 15.404 -4.971 654 HG3 LYS 86 1HG LYS 86 2.824 13.817 -5.695 655 HD2 LYS 86 2HD LYS 86 0.607 14.717 -6.526 656 HD3 LYS 86 1HD LYS 86 1.177 16.314 -6.038 657 HE2 LYS 86 2HE LYS 86 1.677 16.114 -8.338 658 HE3 LYS 86 1HE LYS 86 3.204 15.894 -7.488 659 HZ1 LYS 86 3HZ LYS 86 2.910 13.481 -7.725 660 HZ2 LYS 86 1HZ LYS 86 2.984 14.261 -9.224 661 HZ3 LYS 86 2HZ LYS 86 1.496 13.741 -8.618 662 H VAL 87 H VAL 87 0.928 11.646 -3.830 663 HA VAL 87 HA VAL 87 3.019 10.227 -5.175 664 HB VAL 87 HB VAL 87 3.624 9.727 -2.841 665 HG11 VAL 87 1HG1 VAL 87 0.845 8.608 -2.749 666 HG12 VAL 87 2HG1 VAL 87 1.629 9.729 -1.635 667 HG13 VAL 87 3HG1 VAL 87 2.106 8.031 -1.660 668 HG21 VAL 87 3HG2 VAL 87 3.682 7.223 -3.092 669 HG22 VAL 87 1HG2 VAL 87 4.330 8.145 -4.449 670 HG23 VAL 87 2HG2 VAL 87 2.721 7.430 -4.556 671 H ALA 88 H ALA 88 2.322 8.569 -6.435 672 HA ALA 88 HA ALA 88 -0.573 8.320 -6.783 673 HB1 ALA 88 1HB ALA 88 0.722 8.867 -8.751 674 HB2 ALA 88 2HB ALA 88 0.001 7.266 -8.926 675 HB3 ALA 88 3HB ALA 88 1.710 7.425 -8.528 676 H ILE 89 H ILE 89 -1.178 6.894 -5.154 677 HA ILE 89 HA ILE 89 0.158 4.307 -5.004 678 HB ILE 89 HB ILE 89 -0.397 5.161 -2.868 679 HG12 ILE 89 2HG1 ILE 89 -2.601 3.184 -3.424 680 HG13 ILE 89 1HG1 ILE 89 -0.906 2.718 -3.352 681 HG21 ILE 89 1HG2 ILE 89 -3.249 5.469 -3.775 682 HG22 ILE 89 2HG2 ILE 89 -2.092 6.785 -3.581 683 HG23 ILE 89 3HG2 ILE 89 -2.608 5.850 -2.178 684 HD11 ILE 89 3HD1 ILE 89 -2.240 2.377 -1.253 685 HD12 ILE 89 1HD1 ILE 89 -2.304 4.134 -1.108 686 HD13 ILE 89 2HD1 ILE 89 -0.750 3.302 -1.071 687 H SER 90 H SER 90 -0.374 2.777 -6.416 688 HA SER 90 HA SER 90 -3.003 2.848 -7.677 689 HB2 SER 90 2HB SER 90 -0.631 2.495 -8.797 690 HB3 SER 90 1HB SER 90 -0.931 0.814 -8.369 691 HG SER 90 HG SER 90 -3.094 2.019 -9.529 692 H THR 91 H THR 91 -4.611 1.756 -6.801 693 HA THR 91 HA THR 91 -4.007 -0.711 -5.326 694 HB THR 91 HB THR 91 -6.131 -0.407 -4.159 695 HG1 THR 91 1HG THR 91 -7.571 0.989 -4.803 696 HG21 THR 91 3HG2 THR 91 -4.414 2.075 -4.105 697 HG22 THR 91 1HG2 THR 91 -4.139 0.594 -3.186 698 HG23 THR 91 2HG2 THR 91 -5.558 1.585 -2.853 699 H THR 92 H THR 92 -6.135 -2.195 -5.339 700 HA THR 92 HA THR 92 -6.646 -2.578 -8.211 701 HB THR 92 HB THR 92 -5.479 -4.445 -7.283 702 HG1 THR 92 1HG THR 92 -8.069 -4.700 -8.182 703 HG21 THR 92 3HG2 THR 92 -6.129 -4.100 -4.917 704 HG22 THR 92 1HG2 THR 92 -6.274 -5.776 -5.445 705 HG23 THR 92 2HG2 THR 92 -7.716 -4.775 -5.286 706 HA PRO 93 HA PRO 93 -10.864 -1.150 -7.273 707 HB2 PRO 93 2HB PRO 93 -11.035 -2.045 -10.112 708 HB3 PRO 93 1HB PRO 93 -11.675 -0.578 -9.361 709 HG2 PRO 93 2HG PRO 93 -9.468 -0.501 -10.853 710 HG3 PRO 93 1HG PRO 93 -9.599 0.471 -9.383 711 HD2 PRO 93 2HD PRO 93 -8.036 -1.980 -9.878 712 HD3 PRO 93 1HD PRO 93 -7.684 -0.627 -8.801 713 H LEU 94 H LEU 94 -13.006 -2.152 -7.697 714 HA LEU 94 HA LEU 94 -13.075 -4.824 -6.787 715 HB2 LEU 94 2HB LEU 94 -15.572 -4.170 -7.935 716 HB3 LEU 94 1HB LEU 94 -15.142 -4.202 -6.252 717 HG LEU 94 HG LEU 94 -14.288 -1.798 -6.630 718 HD11 LEU 94 1HD1 LEU 94 -14.315 -1.467 -8.901 719 HD12 LEU 94 2HD1 LEU 94 -15.875 -0.776 -8.435 720 HD13 LEU 94 3HD1 LEU 94 -15.795 -2.401 -9.113 721 HD21 LEU 94 3HD2 LEU 94 -16.242 -2.411 -5.280 722 HD22 LEU 94 1HD2 LEU 94 -17.235 -2.417 -6.737 723 HD23 LEU 94 2HD2 LEU 94 -16.504 -0.914 -6.174 724 H GLU 95 H GLU 95 -14.135 -6.630 -7.871 725 HA GLU 95 HA GLU 95 -14.354 -6.570 -10.741 726 HB2 GLU 95 2HB GLU 95 -12.657 -8.148 -11.263 727 HB3 GLU 95 1HB GLU 95 -11.892 -6.923 -10.264 728 HG2 GLU 95 2HG GLU 95 -12.939 -9.459 -9.071 729 HG3 GLU 95 1HG GLU 95 -11.352 -9.391 -9.831 730 H ASN 96 H ASN 96 -15.146 -8.634 -11.592 731 HA ASN 96 HA ASN 96 -17.129 -9.724 -9.824 732 HB2 ASN 96 2HB ASN 96 -17.985 -10.892 -11.746 733 HB3 ASN 96 1HB ASN 96 -17.565 -9.259 -12.243 734 HD21 ASN 96 1HD2 ASN 96 -15.960 -8.944 -13.733 735 HD22 ASN 96 2HD2 ASN 96 -15.199 -10.240 -14.589 736 H1 SER 101 1HT SER 101 2.069 -16.876 5.409 737 H2 SER 101 2HT SER 101 1.251 -15.647 6.240 738 H3 SER 101 3HT SER 101 2.248 -15.264 4.925 739 HA SER 101 HA SER 101 0.812 -16.252 3.385 740 HB2 SER 101 2HB SER 101 -0.851 -17.168 5.741 741 HB3 SER 101 1HB SER 101 -1.141 -17.534 4.041 742 HG SER 101 HG SER 101 0.210 -19.126 4.210 743 H TRP 102 H TRP 102 -1.750 -15.697 5.655 744 HA TRP 102 HA TRP 102 -1.896 -12.870 4.892 745 HB2 TRP 102 2HB TRP 102 -3.567 -14.909 3.841 746 HB3 TRP 102 1HB TRP 102 -4.545 -13.981 4.973 747 HD1 TRP 102 HD TRP 102 -3.854 -14.043 1.475 748 HE1 TRP 102 1HE TRP 102 -4.177 -11.747 0.360 749 HE3 TRP 102 3HE TRP 102 -3.860 -11.105 5.657 750 HZ2 TRP 102 2HZ TRP 102 -4.402 -9.052 1.149 751 HZ3 TRP 102 3HZ TRP 102 -4.128 -8.675 5.390 752 HH2 TRP 102 HH TRP 102 -4.392 -7.672 3.181 753 H GLU 103 H GLU 103 -1.052 -14.135 7.300 754 HA GLU 103 HA GLU 103 -3.174 -14.073 9.218 755 HB2 GLU 103 2HB GLU 103 -0.228 -13.877 9.829 756 HB3 GLU 103 1HB GLU 103 -1.505 -14.515 10.853 757 HG2 GLU 103 2HG GLU 103 -0.676 -16.489 10.152 758 HG3 GLU 103 1HG GLU 103 -1.742 -16.188 8.781 759 H SER 104 H SER 104 -0.204 -12.121 9.177 760 HA SER 104 HA SER 104 -1.687 -9.657 9.368 761 HB2 SER 104 2HB SER 104 0.015 -10.599 11.691 762 HB3 SER 104 1HB SER 104 -0.678 -8.986 11.533 763 HG SER 104 HG SER 104 -2.580 -10.873 11.191 764 H HIS 105 H HIS 105 0.456 -8.128 10.446 765 HA HIS 105 HA HIS 105 2.064 -7.854 8.109 766 HB2 HIS 105 2HB HIS 105 3.272 -6.118 9.617 767 HB3 HIS 105 1HB HIS 105 1.623 -5.802 9.103 768 HD2 HIS 105 2HD HIS 105 -0.338 -6.152 11.150 769 HE1 HIS 105 1HE HIS 105 2.535 -5.912 14.247 770 HE2 HIS 105 2HE HIS 105 0.064 -6.051 13.712 771 H LYS 106 H LYS 106 3.075 -9.903 8.010 772 HA LYS 106 HA LYS 106 5.078 -10.481 10.054 773 HB2 LYS 106 2HB LYS 106 3.905 -12.040 7.779 774 HB3 LYS 106 1HB LYS 106 5.424 -12.543 8.504 775 HG2 LYS 106 2HG LYS 106 4.275 -12.591 10.715 776 HG3 LYS 106 1HG LYS 106 2.756 -12.289 9.867 777 HD2 LYS 106 2HD LYS 106 2.916 -14.346 8.686 778 HD3 LYS 106 1HD LYS 106 4.577 -14.601 9.225 779 HE2 LYS 106 2HE LYS 106 3.790 -14.813 11.532 780 HE3 LYS 106 1HE LYS 106 2.134 -14.552 10.992 781 HZ1 LYS 106 3HZ LYS 106 2.281 -16.572 9.674 782 HZ2 LYS 106 1HZ LYS 106 2.593 -16.891 11.309 783 HZ3 LYS 106 2HZ LYS 106 3.871 -16.822 10.205 784 H SER 107 H SER 107 5.082 -8.387 7.754 785 HA SER 107 HA SER 107 7.856 -8.924 6.954 786 HB2 SER 107 2HB SER 107 6.820 -7.364 4.909 787 HB3 SER 107 1HB SER 107 7.108 -9.102 4.839 788 HG SER 107 HG SER 107 4.973 -8.717 4.283 789 H GLY 108 H GLY 108 6.502 -7.284 9.089 790 HA2 GLY 108 2HA GLY 108 8.213 -5.153 9.251 791 HA3 GLY 108 1HA GLY 108 6.841 -4.534 8.348 792 H GLY 109 H GLY 109 5.518 -3.419 9.598 793 HA2 GLY 109 2HA GLY 109 4.491 -4.579 12.036 794 HA3 GLY 109 1HA GLY 109 5.471 -3.140 12.280 795 H GLU 110 H GLU 110 4.162 -1.483 12.680 796 HA GLU 110 HA GLU 110 1.748 -1.206 11.008 797 HB2 GLU 110 2HB GLU 110 2.175 -0.175 13.821 798 HB3 GLU 110 1HB GLU 110 0.715 0.014 12.862 799 HG2 GLU 110 2HG GLU 110 0.692 -2.562 12.803 800 HG3 GLU 110 1HG GLU 110 1.815 -2.441 14.157 801 H THR 111 H THR 111 4.381 -0.215 10.326 802 HA THR 111 HA THR 111 4.492 2.585 10.895 803 HB THR 111 HB THR 111 5.875 1.120 8.638 804 HG1 THR 111 1HG THR 111 6.480 0.142 10.562 805 HG21 THR 111 3HG2 THR 111 6.615 3.674 10.079 806 HG22 THR 111 1HG2 THR 111 5.866 3.594 8.485 807 HG23 THR 111 2HG2 THR 111 7.481 2.935 8.732 808 H ARG 112 H ARG 112 2.595 3.526 10.326 809 HA ARG 112 HA ARG 112 1.455 3.142 7.705 810 HB2 ARG 112 2HB ARG 112 -0.297 4.627 8.458 811 HB3 ARG 112 1HB ARG 112 0.049 3.447 9.715 812 HG2 ARG 112 2HG ARG 112 1.491 5.188 10.805 813 HG3 ARG 112 1HG ARG 112 0.856 6.341 9.633 814 HD2 ARG 112 2HD ARG 112 -0.618 6.696 11.332 815 HD3 ARG 112 1HD ARG 112 -1.456 5.385 10.502 816 HE ARG 112 HE ARG 112 -0.768 3.893 12.198 817 HH11 ARG 112 1HH1 ARG 112 0.230 7.192 12.810 818 HH12 ARG 112 2HH1 ARG 112 0.511 6.932 14.500 819 HH21 ARG 112 1HH2 ARG 112 -0.382 3.540 14.435 820 HH22 ARG 112 2HH2 ARG 112 0.178 4.854 15.423 821 H LEU 113 H LEU 113 0.740 5.297 6.569 822 HA LEU 113 HA LEU 113 3.226 6.739 6.068 823 HB2 LEU 113 2HB LEU 113 0.779 6.124 4.512 824 HB3 LEU 113 1HB LEU 113 1.573 7.640 4.157 825 HG LEU 113 HG LEU 113 2.314 5.922 2.620 826 HD11 LEU 113 1HD1 LEU 113 4.448 6.685 4.599 827 HD12 LEU 113 2HD1 LEU 113 3.919 7.627 3.207 828 HD13 LEU 113 3HD1 LEU 113 4.731 6.079 2.969 829 HD21 LEU 113 3HD2 LEU 113 1.902 4.018 4.176 830 HD22 LEU 113 1HD2 LEU 113 3.401 4.439 5.005 831 HD23 LEU 113 2HD2 LEU 113 3.437 3.934 3.314 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -9.402 -11.547 -10.678 2 H2 GLY 1 2HT GLY 1 -8.561 -11.393 -12.136 3 H3 GLY 1 3HT GLY 1 -10.229 -11.125 -12.089 4 HA2 GLY 1 1HA GLY 1 -9.854 -9.221 -10.591 5 HA3 GLY 1 2HA GLY 1 -8.130 -9.463 -10.822 6 H GLY 2 H GLY 2 -8.362 -7.169 -11.580 7 HA2 GLY 2 2HA GLY 2 -9.254 -7.099 -14.393 8 HA3 GLY 2 1HA GLY 2 -9.221 -5.702 -13.327 9 H SER 3 H SER 3 -8.038 -4.878 -15.275 10 HA SER 3 HA SER 3 -5.163 -5.281 -14.859 11 HB2 SER 3 2HB SER 3 -6.451 -4.979 -17.588 12 HB3 SER 3 1HB SER 3 -4.738 -5.233 -17.252 13 HG SER 3 HG SER 3 -6.884 -7.032 -17.086 14 H MET 4 H MET 4 -3.879 -3.447 -15.340 15 HA MET 4 HA MET 4 -3.348 -1.246 -15.339 16 HB2 MET 4 2HB MET 4 -5.932 -1.075 -16.889 17 HB3 MET 4 1HB MET 4 -4.899 0.318 -16.600 18 HG2 MET 4 2HG MET 4 -3.133 -0.619 -17.869 19 HG3 MET 4 1HG MET 4 -3.928 -2.191 -17.940 20 HE1 MET 4 3HE MET 4 -5.531 1.438 -18.550 21 HE2 MET 4 1HE MET 4 -5.222 1.569 -20.280 22 HE3 MET 4 2HE MET 4 -3.872 1.480 -19.146 23 H ARG 5 H ARG 5 -3.580 -1.361 -13.038 24 HA ARG 5 HA ARG 5 -6.005 -0.574 -11.765 25 HB2 ARG 5 2HB ARG 5 -3.173 -0.782 -10.736 26 HB3 ARG 5 1HB ARG 5 -4.545 -0.364 -9.721 27 HG2 ARG 5 2HG ARG 5 -4.378 -2.609 -9.322 28 HG3 ARG 5 1HG ARG 5 -5.533 -2.601 -10.655 29 HD2 ARG 5 2HD ARG 5 -3.732 -3.052 -12.232 30 HD3 ARG 5 1HD ARG 5 -2.561 -3.023 -10.916 31 HE ARG 5 HE ARG 5 -4.686 -4.948 -10.597 32 HH11 ARG 5 1HH1 ARG 5 -1.480 -4.346 -11.867 33 HH12 ARG 5 2HH1 ARG 5 -1.020 -6.019 -11.867 34 HH21 ARG 5 1HH2 ARG 5 -4.086 -7.153 -10.572 35 HH22 ARG 5 2HH2 ARG 5 -2.504 -7.617 -11.116 36 HA PRO 6 HA PRO 6 -5.314 3.820 -12.006 37 HB2 PRO 6 2HB PRO 6 -7.449 4.393 -10.267 38 HB3 PRO 6 1HB PRO 6 -7.558 4.147 -12.010 39 HG2 PRO 6 2HG PRO 6 -8.671 2.473 -10.060 40 HG3 PRO 6 1HG PRO 6 -8.425 2.058 -11.756 41 HD2 PRO 6 2HD PRO 6 -6.726 1.457 -9.371 42 HD3 PRO 6 1HD PRO 6 -7.166 0.421 -10.743 43 HA PRO 7 HA PRO 7 -3.038 4.515 -8.120 44 HB2 PRO 7 2HB PRO 7 -1.821 6.716 -9.570 45 HB3 PRO 7 1HB PRO 7 -1.066 5.298 -8.849 46 HG2 PRO 7 2HG PRO 7 -1.248 5.655 -11.518 47 HG3 PRO 7 1HG PRO 7 -1.298 4.046 -10.772 48 HD2 PRO 7 2HD PRO 7 -3.557 5.737 -11.790 49 HD3 PRO 7 1HD PRO 7 -3.307 3.985 -11.945 50 H ILE 8 H ILE 8 -3.990 5.563 -6.568 51 HA ILE 8 HA ILE 8 -5.480 7.973 -7.024 52 HB ILE 8 HB ILE 8 -4.838 6.881 -4.319 53 HG12 ILE 8 2HG1 ILE 8 -7.215 5.798 -5.558 54 HG13 ILE 8 1HG1 ILE 8 -5.780 5.319 -6.396 55 HG21 ILE 8 1HG2 ILE 8 -6.187 8.975 -4.775 56 HG22 ILE 8 2HG2 ILE 8 -6.965 7.745 -3.778 57 HG23 ILE 8 3HG2 ILE 8 -7.396 7.900 -5.480 58 HD11 ILE 8 3HD1 ILE 8 -6.564 3.746 -4.617 59 HD12 ILE 8 1HD1 ILE 8 -6.126 4.987 -3.447 60 HD13 ILE 8 2HD1 ILE 8 -4.885 4.272 -4.475 61 H ILE 9 H ILE 9 -4.342 9.788 -7.269 62 HA ILE 9 HA ILE 9 -1.722 10.098 -6.164 63 HB ILE 9 HB ILE 9 -3.259 12.408 -7.257 64 HG12 ILE 9 2HG1 ILE 9 -3.737 10.487 -8.775 65 HG13 ILE 9 1HG1 ILE 9 -2.818 11.774 -9.542 66 HG21 ILE 9 1HG2 ILE 9 -1.046 12.865 -6.482 67 HG22 ILE 9 2HG2 ILE 9 -1.016 12.917 -8.243 68 HG23 ILE 9 3HG2 ILE 9 -0.384 11.505 -7.390 69 HD11 ILE 9 3HD1 ILE 9 -1.973 9.624 -10.207 70 HD12 ILE 9 1HD1 ILE 9 -1.725 9.169 -8.522 71 HD13 ILE 9 2HD1 ILE 9 -0.768 10.468 -9.234 72 H ILE 10 H ILE 10 -1.792 10.144 -3.943 73 HA ILE 10 HA ILE 10 -3.647 11.840 -2.516 74 HB ILE 10 HB ILE 10 -1.068 10.649 -1.438 75 HG12 ILE 10 2HG1 ILE 10 -3.583 9.381 -0.652 76 HG13 ILE 10 1HG1 ILE 10 -3.139 9.106 -2.315 77 HG21 ILE 10 1HG2 ILE 10 -2.256 10.827 0.742 78 HG22 ILE 10 2HG2 ILE 10 -3.542 11.704 -0.083 79 HG23 ILE 10 3HG2 ILE 10 -1.914 12.381 -0.019 80 HD11 ILE 10 3HD1 ILE 10 -1.110 8.094 -1.715 81 HD12 ILE 10 1HD1 ILE 10 -2.341 7.415 -0.651 82 HD13 ILE 10 2HD1 ILE 10 -1.253 8.667 -0.054 83 H HIS 11 H HIS 11 -2.893 13.681 -1.217 84 HA HIS 11 HA HIS 11 -0.415 14.907 -2.165 85 HB2 HIS 11 2HB HIS 11 -2.368 15.859 -3.440 86 HB3 HIS 11 1HB HIS 11 -3.044 16.403 -1.907 87 HD2 HIS 11 2HD HIS 11 0.198 17.072 -4.041 88 HE1 HIS 11 1HE HIS 11 -0.729 20.465 -1.687 89 HE2 HIS 11 2HE HIS 11 0.938 19.447 -3.308 90 H ARG 12 H ARG 12 0.753 15.098 -0.391 91 HA ARG 12 HA ARG 12 -0.289 14.942 2.212 92 HB2 ARG 12 2HB ARG 12 2.008 14.311 1.566 93 HB3 ARG 12 1HB ARG 12 2.387 16.011 1.324 94 HG2 ARG 12 2HG ARG 12 1.992 16.463 3.667 95 HG3 ARG 12 1HG ARG 12 1.525 14.779 3.926 96 HD2 ARG 12 2HD ARG 12 3.708 14.023 3.345 97 HD3 ARG 12 1HD ARG 12 4.199 15.649 2.880 98 HE ARG 12 HE ARG 12 3.361 15.196 5.649 99 HH11 ARG 12 1HH1 ARG 12 5.972 15.740 3.376 100 HH12 ARG 12 2HH1 ARG 12 7.075 16.297 4.592 101 HH21 ARG 12 1HH2 ARG 12 4.797 15.942 7.234 102 HH22 ARG 12 2HH2 ARG 12 6.408 16.406 6.788 103 H ALA 13 H ALA 13 -1.570 16.402 3.047 104 HA ALA 13 HA ALA 13 -1.333 19.215 2.452 105 HB1 ALA 13 1HB ALA 13 -3.272 19.405 4.028 106 HB2 ALA 13 2HB ALA 13 -3.185 17.656 4.256 107 HB3 ALA 13 3HB ALA 13 -3.548 18.323 2.664 108 H GLY 14 H GLY 14 1.013 18.575 3.467 109 HA2 GLY 14 2HA GLY 14 2.487 19.477 5.012 110 HA3 GLY 14 1HA GLY 14 1.114 20.043 5.952 111 H LYS 15 H LYS 15 -0.252 17.800 6.506 112 HA LYS 15 HA LYS 15 1.309 16.622 8.568 113 HB2 LYS 15 2HB LYS 15 -0.868 15.098 8.639 114 HB3 LYS 15 1HB LYS 15 -0.856 16.742 9.256 115 HG2 LYS 15 2HG LYS 15 -1.880 17.559 7.231 116 HG3 LYS 15 1HG LYS 15 -1.778 15.961 6.494 117 HD2 LYS 15 2HD LYS 15 -4.032 16.373 7.293 118 HD3 LYS 15 1HD LYS 15 -3.278 15.082 8.232 119 HE2 LYS 15 2HE LYS 15 -2.851 16.583 10.058 120 HE3 LYS 15 1HE LYS 15 -3.389 17.968 9.105 121 HZ1 LYS 15 3HZ LYS 15 -5.137 15.689 9.849 122 HZ2 LYS 15 1HZ LYS 15 -5.610 17.142 9.126 123 HZ3 LYS 15 2HZ LYS 15 -5.051 17.134 10.721 124 H LYS 16 H LYS 16 -0.694 14.543 6.559 125 HA LYS 16 HA LYS 16 1.545 13.159 5.412 126 HB2 LYS 16 2HB LYS 16 0.934 10.977 6.528 127 HB3 LYS 16 1HB LYS 16 1.724 12.158 7.550 128 HG2 LYS 16 2HG LYS 16 -0.606 12.823 8.320 129 HG3 LYS 16 1HG LYS 16 -1.158 11.339 7.541 130 HD2 LYS 16 2HD LYS 16 0.805 10.276 8.950 131 HD3 LYS 16 1HD LYS 16 0.549 11.703 9.952 132 HE2 LYS 16 2HE LYS 16 -1.581 9.711 9.188 133 HE3 LYS 16 1HE LYS 16 -0.746 9.771 10.738 134 HZ1 LYS 16 3HZ LYS 16 -3.013 10.881 10.577 135 HZ2 LYS 16 1HZ LYS 16 -2.232 12.100 9.702 136 HZ3 LYS 16 2HZ LYS 16 -1.761 11.779 11.290 137 H TYR 17 H TYR 17 0.456 10.770 4.749 138 HA TYR 17 HA TYR 17 -1.669 11.588 2.937 139 HB2 TYR 17 2HB TYR 17 -0.310 8.894 3.016 140 HB3 TYR 17 1HB TYR 17 -1.187 9.625 1.668 141 HD1 TYR 17 1HD TYR 17 1.952 9.773 3.631 142 HD2 TYR 17 2HD TYR 17 -0.142 11.217 0.230 143 HE1 TYR 17 1HE TYR 17 4.025 10.790 2.796 144 HE2 TYR 17 2HE TYR 17 1.926 12.233 -0.624 145 HH TYR 17 HH TYR 17 4.898 11.471 0.353 146 H GLY 18 H GLY 18 -1.459 10.513 5.936 147 HA2 GLY 18 2HA GLY 18 -2.894 9.762 7.494 148 HA3 GLY 18 1HA GLY 18 -4.162 10.033 6.334 149 H PHE 19 H PHE 19 -2.600 7.894 4.679 150 HA PHE 19 HA PHE 19 -4.253 5.782 5.760 151 HB2 PHE 19 2HB PHE 19 -4.160 4.660 3.723 152 HB3 PHE 19 1HB PHE 19 -4.301 6.335 3.326 153 HD1 PHE 19 2HD PHE 19 -2.048 7.571 2.827 154 HD2 PHE 19 1HD PHE 19 -2.574 3.356 2.745 155 HE1 PHE 19 2HE PHE 19 -0.047 7.351 1.404 156 HE2 PHE 19 1HE PHE 19 -0.578 3.122 1.330 157 HZ PHE 19 HZ PHE 19 0.690 5.125 0.657 158 H THR 20 H THR 20 -3.701 3.807 6.218 159 HA THR 20 HA THR 20 -1.012 3.500 7.315 160 HB THR 20 HB THR 20 -3.514 1.841 7.691 161 HG1 THR 20 1HG THR 20 -3.139 4.161 8.591 162 HG21 THR 20 3HG2 THR 20 -1.037 1.725 9.399 163 HG22 THR 20 1HG2 THR 20 -1.310 0.632 8.042 164 HG23 THR 20 2HG2 THR 20 -2.427 0.634 9.408 165 H LEU 21 H LEU 21 0.511 2.483 6.028 166 HA LEU 21 HA LEU 21 -0.389 0.538 4.056 167 HB2 LEU 21 2HB LEU 21 1.637 2.369 3.917 168 HB3 LEU 21 1HB LEU 21 2.518 0.941 4.370 169 HG LEU 21 HG LEU 21 2.358 0.048 2.328 170 HD11 LEU 21 1HD1 LEU 21 0.330 0.130 0.912 171 HD12 LEU 21 2HD1 LEU 21 -0.463 1.097 2.154 172 HD13 LEU 21 3HD1 LEU 21 0.032 -0.560 2.507 173 HD21 LEU 21 3HD2 LEU 21 1.381 2.800 1.627 174 HD22 LEU 21 1HD2 LEU 21 2.166 1.661 0.535 175 HD23 LEU 21 2HD2 LEU 21 3.062 2.342 1.895 176 H ARG 22 H ARG 22 -1.085 -1.076 5.534 177 HA ARG 22 HA ARG 22 0.687 -2.281 7.423 178 HB2 ARG 22 2HB ARG 22 -2.020 -2.403 6.906 179 HB3 ARG 22 1HB ARG 22 -1.464 -3.977 6.363 180 HG2 ARG 22 2HG ARG 22 -2.082 -4.270 8.600 181 HG3 ARG 22 1HG ARG 22 -0.319 -4.193 8.611 182 HD2 ARG 22 2HD ARG 22 -0.291 -2.076 9.558 183 HD3 ARG 22 1HD ARG 22 -1.934 -1.711 9.029 184 HE ARG 22 HE ARG 22 -1.882 -3.873 10.879 185 HH11 ARG 22 1HH1 ARG 22 -1.674 -0.385 10.698 186 HH12 ARG 22 2HH1 ARG 22 -2.358 -0.134 12.270 187 HH21 ARG 22 1HH2 ARG 22 -2.774 -3.544 12.959 188 HH22 ARG 22 2HH2 ARG 22 -2.978 -1.928 13.552 189 H ALA 23 H ALA 23 2.109 -3.947 7.143 190 HA ALA 23 HA ALA 23 2.441 -4.982 4.413 191 HB1 ALA 23 1HB ALA 23 4.407 -5.132 6.690 192 HB2 ALA 23 2HB ALA 23 4.366 -3.836 5.496 193 HB3 ALA 23 3HB ALA 23 4.705 -5.489 4.988 194 H ILE 24 H ILE 24 2.466 -7.141 3.970 195 HA ILE 24 HA ILE 24 2.238 -9.066 6.149 196 HB ILE 24 HB ILE 24 0.327 -10.175 4.798 197 HG12 ILE 24 2HG1 ILE 24 -0.642 -7.485 4.104 198 HG13 ILE 24 1HG1 ILE 24 0.709 -8.049 3.124 199 HG21 ILE 24 1HG2 ILE 24 -1.356 -8.956 6.095 200 HG22 ILE 24 2HG2 ILE 24 -0.167 -7.700 6.437 201 HG23 ILE 24 3HG2 ILE 24 0.074 -9.333 7.056 202 HD11 ILE 24 3HD1 ILE 24 -0.531 -10.007 2.476 203 HD12 ILE 24 1HD1 ILE 24 -1.480 -8.559 2.140 204 HD13 ILE 24 2HD1 ILE 24 -1.859 -9.556 3.545 205 H ARG 25 H ARG 25 1.701 -11.322 4.811 206 HA ARG 25 HA ARG 25 3.316 -11.472 2.408 207 HB2 ARG 25 2HB ARG 25 4.609 -13.435 3.428 208 HB3 ARG 25 1HB ARG 25 5.098 -11.809 3.867 209 HG2 ARG 25 2HG ARG 25 3.272 -12.426 5.817 210 HG3 ARG 25 1HG ARG 25 4.078 -13.969 5.528 211 HD2 ARG 25 2HD ARG 25 5.480 -11.360 6.092 212 HD3 ARG 25 1HD ARG 25 5.175 -12.620 7.282 213 HE ARG 25 HE ARG 25 6.636 -14.074 5.985 214 HH11 ARG 25 1HH1 ARG 25 6.822 -10.627 5.328 215 HH12 ARG 25 2HH1 ARG 25 8.426 -10.717 4.670 216 HH21 ARG 25 1HH2 ARG 25 8.757 -14.173 5.131 217 HH22 ARG 25 2HH2 ARG 25 9.520 -12.722 4.565 218 H VAL 26 H VAL 26 2.239 -12.626 1.059 219 HA VAL 26 HA VAL 26 0.173 -14.461 1.931 220 HB VAL 26 HB VAL 26 -0.222 -14.762 -0.541 221 HG11 VAL 26 1HG1 VAL 26 -0.295 -11.941 0.523 222 HG12 VAL 26 2HG1 VAL 26 -1.532 -13.175 0.757 223 HG13 VAL 26 3HG1 VAL 26 -1.217 -12.537 -0.856 224 HG21 VAL 26 3HG2 VAL 26 1.961 -14.263 -1.387 225 HG22 VAL 26 1HG2 VAL 26 1.891 -12.633 -0.719 226 HG23 VAL 26 2HG2 VAL 26 0.815 -13.092 -2.039 227 H TYR 27 H TYR 27 0.207 -16.399 -0.007 228 HA TYR 27 HA TYR 27 2.796 -17.642 -0.197 229 HB2 TYR 27 2HB TYR 27 1.004 -18.364 1.965 230 HB3 TYR 27 1HB TYR 27 1.249 -19.732 0.882 231 HD1 TYR 27 2HD TYR 27 2.916 -17.355 3.135 232 HD2 TYR 27 1HD TYR 27 3.380 -20.843 0.749 233 HE1 TYR 27 2HE TYR 27 5.088 -17.788 4.202 234 HE2 TYR 27 1HE TYR 27 5.556 -21.284 1.808 235 HH TYR 27 HH TYR 27 7.334 -20.011 2.981 236 H MET 28 H MET 28 2.862 -19.003 -1.955 237 HA MET 28 HA MET 28 0.278 -19.442 -3.308 238 HB2 MET 28 2HB MET 28 2.930 -18.850 -4.626 239 HB3 MET 28 1HB MET 28 1.410 -19.110 -5.436 240 HG2 MET 28 2HG MET 28 2.051 -16.880 -3.614 241 HG3 MET 28 1HG MET 28 1.984 -16.785 -5.358 242 HE1 MET 28 3HE MET 28 0.299 -14.799 -5.427 243 HE2 MET 28 1HE MET 28 0.417 -14.702 -3.669 244 HE3 MET 28 2HE MET 28 -1.166 -14.715 -4.445 245 H GLY 29 H GLY 29 -0.198 -21.527 -3.270 246 HA2 GLY 29 2HA GLY 29 -0.033 -23.751 -3.873 247 HA3 GLY 29 1HA GLY 29 1.576 -23.429 -4.493 248 H ASP 30 H ASP 30 2.201 -25.447 -3.618 249 HA ASP 30 HA ASP 30 2.273 -25.709 -0.714 250 HB2 ASP 30 2HB ASP 30 2.860 -27.539 -3.017 251 HB3 ASP 30 1HB ASP 30 3.534 -27.903 -1.434 252 H SER 31 H SER 31 4.243 -24.675 -3.297 253 HA SER 31 HA SER 31 6.784 -25.168 -2.119 254 HB2 SER 31 2HB SER 31 5.953 -23.189 -4.255 255 HB3 SER 31 1HB SER 31 7.617 -23.598 -3.849 256 HG SER 31 HG SER 31 6.752 -25.882 -4.282 257 H ASP 32 H ASP 32 8.268 -23.433 -1.391 258 HA ASP 32 HA ASP 32 6.933 -21.808 0.577 259 HB2 ASP 32 2HB ASP 32 9.337 -23.067 0.553 260 HB3 ASP 32 1HB ASP 32 9.826 -21.411 0.202 261 H VAL 33 H VAL 33 6.742 -21.140 -2.377 262 HA VAL 33 HA VAL 33 8.083 -18.602 -2.573 263 HB VAL 33 HB VAL 33 7.862 -19.813 -4.625 264 HG11 VAL 33 1HG1 VAL 33 4.960 -19.922 -3.927 265 HG12 VAL 33 2HG1 VAL 33 6.049 -21.234 -4.377 266 HG13 VAL 33 3HG1 VAL 33 5.502 -20.086 -5.597 267 HG21 VAL 33 3HG2 VAL 33 6.028 -17.424 -4.571 268 HG22 VAL 33 1HG2 VAL 33 6.675 -18.162 -6.037 269 HG23 VAL 33 2HG2 VAL 33 7.767 -17.423 -4.866 270 H TYR 34 H TYR 34 7.285 -16.702 -2.103 271 HA TYR 34 HA TYR 34 4.427 -16.303 -1.791 272 HB2 TYR 34 2HB TYR 34 4.618 -15.375 0.455 273 HB3 TYR 34 1HB TYR 34 5.164 -17.044 0.432 274 HD1 TYR 34 1HD TYR 34 6.190 -13.545 0.829 275 HD2 TYR 34 2HD TYR 34 7.482 -17.603 0.835 276 HE1 TYR 34 1HE TYR 34 8.287 -12.870 1.912 277 HE2 TYR 34 2HE TYR 34 9.583 -16.934 1.923 278 HH TYR 34 HH TYR 34 10.955 -15.053 2.296 279 H THR 35 H THR 35 3.822 -14.053 -1.693 280 HA THR 35 HA THR 35 5.950 -12.303 -2.732 281 HB THR 35 HB THR 35 3.476 -11.158 -3.385 282 HG1 THR 35 1HG THR 35 3.454 -13.753 -4.475 283 HG21 THR 35 3HG2 THR 35 5.496 -10.980 -4.720 284 HG22 THR 35 1HG2 THR 35 4.183 -11.629 -5.700 285 HG23 THR 35 2HG2 THR 35 5.436 -12.705 -5.083 286 H VAL 36 H VAL 36 6.396 -10.508 -1.629 287 HA VAL 36 HA VAL 36 4.946 -9.965 0.805 288 HB VAL 36 HB VAL 36 7.164 -8.276 -0.345 289 HG11 VAL 36 1HG1 VAL 36 5.951 -7.311 1.532 290 HG12 VAL 36 2HG1 VAL 36 7.592 -7.746 2.009 291 HG13 VAL 36 3HG1 VAL 36 6.234 -8.768 2.482 292 HG21 VAL 36 3HG2 VAL 36 8.023 -10.512 -0.335 293 HG22 VAL 36 1HG2 VAL 36 7.393 -10.800 1.286 294 HG23 VAL 36 2HG2 VAL 36 8.708 -9.649 1.042 295 H HIS 37 H HIS 37 3.006 -9.072 0.491 296 HA HIS 37 HA HIS 37 2.791 -6.784 -1.348 297 HB2 HIS 37 2HB HIS 37 0.623 -8.608 -0.269 298 HB3 HIS 37 1HB HIS 37 0.330 -7.190 -1.265 299 HD2 HIS 37 2HD HIS 37 1.092 -10.888 -1.611 300 HE1 HIS 37 1HE HIS 37 1.499 -9.146 -5.444 301 HE2 HIS 37 2HE HIS 37 1.557 -11.312 -4.124 302 H HIS 38 H HIS 38 0.687 -5.472 -0.507 303 HA HIS 38 HA HIS 38 0.836 -4.957 2.351 304 HB2 HIS 38 2HB HIS 38 1.413 -2.795 0.299 305 HB3 HIS 38 1HB HIS 38 1.209 -2.533 2.026 306 HD2 HIS 38 2HD HIS 38 3.913 -3.253 -0.496 307 HE1 HIS 38 1HE HIS 38 5.544 -4.061 3.314 308 HE2 HIS 38 2HE HIS 38 5.988 -4.094 0.827 309 H MET 39 H MET 39 -0.823 -3.209 2.904 310 HA MET 39 HA MET 39 -2.958 -2.879 0.982 311 HB2 MET 39 2HB MET 39 -2.982 -5.067 2.856 312 HB3 MET 39 1HB MET 39 -4.288 -3.951 3.233 313 HG2 MET 39 2HG MET 39 -5.091 -4.117 0.932 314 HG3 MET 39 1HG MET 39 -3.785 -5.241 0.559 315 HE1 MET 39 3HE MET 39 -3.589 -7.203 2.979 316 HE2 MET 39 1HE MET 39 -3.646 -7.654 1.274 317 HE3 MET 39 2HE MET 39 -4.710 -8.449 2.433 318 H VAL 40 H VAL 40 -4.171 -1.110 1.441 319 HA VAL 40 HA VAL 40 -3.301 0.560 3.586 320 HB VAL 40 HB VAL 40 -3.924 1.760 1.659 321 HG11 VAL 40 1HG1 VAL 40 -6.751 1.035 1.511 322 HG12 VAL 40 2HG1 VAL 40 -5.644 -0.277 1.116 323 HG13 VAL 40 3HG1 VAL 40 -5.557 1.242 0.229 324 HG21 VAL 40 3HG2 VAL 40 -4.784 2.545 3.965 325 HG22 VAL 40 1HG2 VAL 40 -6.379 2.143 3.331 326 HG23 VAL 40 2HG2 VAL 40 -5.385 3.348 2.512 327 H TRP 41 H TRP 41 -3.714 -0.116 5.486 328 HA TRP 41 HA TRP 41 -5.954 -1.655 6.282 329 HB2 TRP 41 2HB TRP 41 -3.499 -1.269 7.257 330 HB3 TRP 41 1HB TRP 41 -4.385 -0.161 8.294 331 HD1 TRP 41 HD TRP 41 -4.765 -1.318 10.493 332 HE1 TRP 41 1HE TRP 41 -5.559 -3.640 11.247 333 HE3 TRP 41 3HE TRP 41 -5.159 -3.545 5.918 334 HZ2 TRP 41 2HZ TRP 41 -6.277 -6.113 10.035 335 HZ3 TRP 41 3HZ TRP 41 -5.911 -5.880 5.799 336 HH2 TRP 41 HH TRP 41 -6.459 -7.133 7.819 337 H HIS 42 H HIS 42 -5.092 1.720 6.671 338 HA HIS 42 HA HIS 42 -7.872 2.413 7.130 339 HB2 HIS 42 2HB HIS 42 -6.503 1.816 9.334 340 HB3 HIS 42 1HB HIS 42 -5.963 3.470 9.153 341 HD2 HIS 42 2HD HIS 42 -8.324 5.289 8.844 342 HE1 HIS 42 1HE HIS 42 -10.482 2.862 11.554 343 HE2 HIS 42 2HE HIS 42 -10.486 5.034 10.249 344 H VAL 43 H VAL 43 -8.254 4.247 6.117 345 HA VAL 43 HA VAL 43 -5.992 6.066 5.711 346 HB VAL 43 HB VAL 43 -6.461 5.180 3.580 347 HG11 VAL 43 1HG1 VAL 43 -8.544 4.143 3.920 348 HG12 VAL 43 2HG1 VAL 43 -8.739 5.296 2.599 349 HG13 VAL 43 3HG1 VAL 43 -9.337 5.689 4.211 350 HG21 VAL 43 3HG2 VAL 43 -6.101 7.523 3.448 351 HG22 VAL 43 1HG2 VAL 43 -7.775 7.861 3.894 352 HG23 VAL 43 2HG2 VAL 43 -7.414 7.121 2.336 353 H GLU 44 H GLU 44 -6.189 8.023 6.373 354 HA GLU 44 HA GLU 44 -8.300 8.805 8.059 355 HB2 GLU 44 2HB GLU 44 -5.755 9.857 7.166 356 HB3 GLU 44 1HB GLU 44 -6.949 11.122 7.371 357 HG2 GLU 44 2HG GLU 44 -7.241 10.626 9.642 358 HG3 GLU 44 1HG GLU 44 -6.440 9.064 9.486 359 H ASP 45 H ASP 45 -10.249 9.356 7.466 360 HA ASP 45 HA ASP 45 -10.841 10.367 4.823 361 HB2 ASP 45 2HB ASP 45 -13.183 10.199 5.522 362 HB3 ASP 45 1HB ASP 45 -12.318 8.713 5.893 363 H GLY 46 H GLY 46 -9.201 12.123 6.273 364 HA2 GLY 46 2HA GLY 46 -11.074 14.351 6.765 365 HA3 GLY 46 1HA GLY 46 -9.614 14.121 7.707 366 H GLY 47 H GLY 47 -9.126 13.404 4.395 367 HA2 GLY 47 2HA GLY 47 -8.917 15.755 3.098 368 HA3 GLY 47 1HA GLY 47 -7.559 15.835 4.197 369 HA PRO 48 HA PRO 48 -4.851 13.592 1.592 370 HB2 PRO 48 2HB PRO 48 -4.774 11.237 3.399 371 HB3 PRO 48 1HB PRO 48 -3.459 12.227 2.764 372 HG2 PRO 48 2HG PRO 48 -4.183 12.522 5.262 373 HG3 PRO 48 1HG PRO 48 -3.895 13.968 4.265 374 HD2 PRO 48 2HD PRO 48 -6.507 12.666 4.983 375 HD3 PRO 48 1HD PRO 48 -6.030 14.370 5.072 376 H ALA 49 H ALA 49 -4.596 10.570 1.852 377 HA ALA 49 HA ALA 49 -5.391 9.747 -0.562 378 HB1 ALA 49 1HB ALA 49 -4.542 7.787 0.041 379 HB2 ALA 49 2HB ALA 49 -5.639 7.603 1.415 380 HB3 ALA 49 3HB ALA 49 -4.176 8.579 1.577 381 H SER 50 H SER 50 -7.578 9.804 2.241 382 HA SER 50 HA SER 50 -9.552 8.126 1.153 383 HB2 SER 50 2HB SER 50 -9.359 10.041 3.361 384 HB3 SER 50 1HB SER 50 -10.977 9.889 2.686 385 HG SER 50 HG SER 50 -10.530 7.514 2.878 386 H GLU 51 H GLU 51 -9.501 11.681 1.253 387 HA GLU 51 HA GLU 51 -11.763 12.008 -0.408 388 HB2 GLU 51 2HB GLU 51 -9.506 13.954 0.077 389 HB3 GLU 51 1HB GLU 51 -11.114 14.347 -0.518 390 HG2 GLU 51 2HG GLU 51 -11.502 12.957 1.874 391 HG3 GLU 51 1HG GLU 51 -10.181 14.085 2.173 392 H ALA 52 H ALA 52 -8.385 11.604 -1.009 393 HA ALA 52 HA ALA 52 -8.249 12.486 -3.666 394 HB1 ALA 52 1HB ALA 52 -6.275 12.054 -2.303 395 HB2 ALA 52 2HB ALA 52 -6.216 11.121 -3.801 396 HB3 ALA 52 3HB ALA 52 -6.654 10.333 -2.283 397 H GLY 53 H GLY 53 -9.459 9.531 -2.242 398 HA2 GLY 53 2HA GLY 53 -11.169 8.496 -3.796 399 HA3 GLY 53 1HA GLY 53 -9.843 8.418 -4.940 400 H LEU 54 H LEU 54 -8.242 7.835 -2.251 401 HA LEU 54 HA LEU 54 -8.052 5.038 -2.694 402 HB2 LEU 54 2HB LEU 54 -6.282 6.623 -1.732 403 HB3 LEU 54 1HB LEU 54 -7.124 6.456 -0.213 404 HG LEU 54 HG LEU 54 -6.009 4.109 -1.736 405 HD11 LEU 54 1HD1 LEU 54 -4.199 5.652 -1.134 406 HD12 LEU 54 2HD1 LEU 54 -4.133 4.152 -0.208 407 HD13 LEU 54 3HD1 LEU 54 -4.748 5.624 0.541 408 HD21 LEU 54 3HD2 LEU 54 -6.963 4.500 1.077 409 HD22 LEU 54 1HD2 LEU 54 -6.177 3.041 0.474 410 HD23 LEU 54 2HD2 LEU 54 -7.733 3.546 -0.189 411 H ARG 55 H ARG 55 -9.518 3.609 -2.159 412 HA ARG 55 HA ARG 55 -11.333 4.127 0.045 413 HB2 ARG 55 2HB ARG 55 -12.491 2.063 -0.724 414 HB3 ARG 55 1HB ARG 55 -12.372 3.301 -1.963 415 HG2 ARG 55 2HG ARG 55 -11.702 1.614 -3.270 416 HG3 ARG 55 1HG ARG 55 -10.144 1.835 -2.472 417 HD2 ARG 55 2HD ARG 55 -10.726 -0.502 -2.425 418 HD3 ARG 55 1HD ARG 55 -10.805 0.148 -0.791 419 HE ARG 55 HE ARG 55 -13.349 0.369 -1.578 420 HH11 ARG 55 1HH1 ARG 55 -11.103 -2.296 -1.840 421 HH12 ARG 55 2HH1 ARG 55 -12.322 -3.516 -1.675 422 HH21 ARG 55 1HH2 ARG 55 -14.972 -1.243 -1.362 423 HH22 ARG 55 2HH2 ARG 55 -14.519 -2.919 -1.410 424 H GLN 56 H GLN 56 -10.944 3.424 2.031 425 HA GLN 56 HA GLN 56 -8.786 1.953 2.885 426 HB2 GLN 56 2HB GLN 56 -10.342 3.239 4.318 427 HB3 GLN 56 1HB GLN 56 -11.510 1.954 4.164 428 HG2 GLN 56 2HG GLN 56 -10.213 0.524 5.390 429 HG3 GLN 56 1HG GLN 56 -8.764 1.489 5.225 430 HE21 GLN 56 1HE2 GLN 56 -10.264 0.468 7.606 431 HE22 GLN 56 2HE2 GLN 56 -10.543 1.869 8.579 432 H GLY 57 H GLY 57 -8.282 -0.170 3.147 433 HA2 GLY 57 2HA GLY 57 -8.592 -2.480 3.176 434 HA3 GLY 57 1HA GLY 57 -10.296 -2.225 2.827 435 H ASP 58 H ASP 58 -7.379 -1.230 1.099 436 HA ASP 58 HA ASP 58 -8.246 -2.810 -1.234 437 HB2 ASP 58 2HB ASP 58 -8.500 -0.162 -1.249 438 HB3 ASP 58 1HB ASP 58 -6.789 -0.250 -1.663 439 H LEU 59 H LEU 59 -6.608 -3.606 -2.539 440 HA LEU 59 HA LEU 59 -4.087 -3.994 -1.116 441 HB2 LEU 59 2HB LEU 59 -5.070 -6.034 -1.798 442 HB3 LEU 59 1HB LEU 59 -5.439 -5.418 -3.394 443 HG LEU 59 HG LEU 59 -2.931 -5.333 -3.795 444 HD11 LEU 59 1HD1 LEU 59 -2.277 -5.477 -1.422 445 HD12 LEU 59 2HD1 LEU 59 -1.532 -6.731 -2.414 446 HD13 LEU 59 3HD1 LEU 59 -2.899 -7.127 -1.373 447 HD21 LEU 59 3HD2 LEU 59 -4.304 -7.975 -3.337 448 HD22 LEU 59 1HD2 LEU 59 -2.816 -7.756 -4.257 449 HD23 LEU 59 2HD2 LEU 59 -4.313 -7.014 -4.816 450 H ILE 60 H ILE 60 -2.280 -3.000 -1.696 451 HA ILE 60 HA ILE 60 -2.329 -1.220 -3.981 452 HB ILE 60 HB ILE 60 -0.220 -1.684 -1.860 453 HG12 ILE 60 2HG1 ILE 60 -0.850 0.790 -1.407 454 HG13 ILE 60 1HG1 ILE 60 -2.300 0.439 -2.337 455 HG21 ILE 60 1HG2 ILE 60 0.926 0.277 -2.790 456 HG22 ILE 60 2HG2 ILE 60 -0.238 0.319 -4.116 457 HG23 ILE 60 3HG2 ILE 60 0.857 -1.053 -3.944 458 HD11 ILE 60 3HD1 ILE 60 -1.473 -1.136 0.078 459 HD12 ILE 60 1HD1 ILE 60 -3.028 -1.157 -0.752 460 HD13 ILE 60 2HD1 ILE 60 -2.527 0.278 0.147 461 H THR 61 H THR 61 -1.570 -1.700 -5.904 462 HA THR 61 HA THR 61 0.026 -4.130 -6.229 463 HB THR 61 HB THR 61 -0.602 -4.035 -8.580 464 HG1 THR 61 1HG THR 61 -0.747 -1.922 -9.112 465 HG21 THR 61 3HG2 THR 61 -3.002 -3.494 -6.821 466 HG22 THR 61 1HG2 THR 61 -2.200 -5.055 -7.000 467 HG23 THR 61 2HG2 THR 61 -3.017 -4.322 -8.380 468 H HIS 62 H HIS 62 0.001 -0.683 -6.938 469 HA HIS 62 HA HIS 62 2.898 -0.762 -7.378 470 HB2 HIS 62 2HB HIS 62 0.914 0.565 -9.240 471 HB3 HIS 62 1HB HIS 62 2.656 0.759 -9.328 472 HD2 HIS 62 2HD HIS 62 4.051 -1.382 -10.422 473 HE1 HIS 62 1HE HIS 62 0.591 -3.514 -11.586 474 HE2 HIS 62 2HE HIS 62 3.117 -3.428 -11.715 475 H VAL 63 H VAL 63 3.925 1.299 -7.108 476 HA VAL 63 HA VAL 63 2.266 3.452 -6.040 477 HB VAL 63 HB VAL 63 3.050 2.252 -4.068 478 HG11 VAL 63 1HG1 VAL 63 5.050 1.206 -5.015 479 HG12 VAL 63 2HG1 VAL 63 5.411 2.062 -3.515 480 HG13 VAL 63 3HG1 VAL 63 5.843 2.779 -5.067 481 HG21 VAL 63 3HG2 VAL 63 4.380 4.162 -3.027 482 HG22 VAL 63 1HG2 VAL 63 2.802 4.560 -3.713 483 HG23 VAL 63 2HG2 VAL 63 4.273 4.939 -4.607 484 H ASN 64 H ASN 64 2.658 5.149 -7.237 485 HA ASN 64 HA ASN 64 3.684 6.698 -8.549 486 HB2 ASN 64 2HB ASN 64 5.513 6.103 -6.435 487 HB3 ASN 64 1HB ASN 64 6.429 6.377 -7.913 488 HD21 ASN 64 1HD2 ASN 64 7.279 8.322 -7.290 489 HD22 ASN 64 2HD2 ASN 64 6.325 9.752 -7.089 490 H GLY 65 H GLY 65 3.383 3.982 -9.502 491 HA2 GLY 65 2HA GLY 65 3.892 2.864 -11.452 492 HA3 GLY 65 1HA GLY 65 5.012 4.160 -11.833 493 H GLU 66 H GLU 66 4.923 1.996 -9.069 494 HA GLU 66 HA GLU 66 7.269 0.586 -9.922 495 HB2 GLU 66 2HB GLU 66 7.495 2.832 -8.340 496 HB3 GLU 66 1HB GLU 66 7.482 1.525 -7.168 497 HG2 GLU 66 2HG GLU 66 9.754 2.063 -7.762 498 HG3 GLU 66 1HG GLU 66 9.344 0.454 -8.353 499 HA PRO 67 HA PRO 67 4.462 -2.470 -8.161 500 HB2 PRO 67 2HB PRO 67 6.502 -4.414 -8.346 501 HB3 PRO 67 1HB PRO 67 5.182 -4.150 -9.488 502 HG2 PRO 67 2HG PRO 67 8.005 -3.269 -9.623 503 HG3 PRO 67 1HG PRO 67 6.865 -3.610 -10.936 504 HD2 PRO 67 2HD PRO 67 7.572 -1.101 -10.230 505 HD3 PRO 67 1HD PRO 67 5.981 -1.473 -10.887 506 H VAL 68 H VAL 68 4.187 -3.036 -6.193 507 HA VAL 68 HA VAL 68 6.198 -2.371 -4.194 508 HB VAL 68 HB VAL 68 4.393 -2.614 -2.547 509 HG11 VAL 68 1HG1 VAL 68 2.972 -0.733 -3.332 510 HG12 VAL 68 2HG1 VAL 68 3.724 -0.876 -4.921 511 HG13 VAL 68 3HG1 VAL 68 4.702 -0.439 -3.520 512 HG21 VAL 68 3HG2 VAL 68 3.136 -4.383 -3.665 513 HG22 VAL 68 1HG2 VAL 68 2.639 -3.242 -4.914 514 HG23 VAL 68 2HG2 VAL 68 2.098 -3.018 -3.251 515 H HIS 69 H HIS 69 5.197 -4.867 -5.924 516 HA HIS 69 HA HIS 69 4.991 -7.077 -4.329 517 HB2 HIS 69 2HB HIS 69 5.919 -6.540 -7.129 518 HB3 HIS 69 1HB HIS 69 5.826 -8.143 -6.485 519 HD2 HIS 69 2HD HIS 69 3.017 -5.620 -5.644 520 HE1 HIS 69 1HE HIS 69 1.516 -8.493 -8.369 521 HE2 HIS 69 2HE HIS 69 0.902 -6.666 -6.723 522 H GLY 70 H GLY 70 6.519 -7.164 -2.661 523 HA2 GLY 70 2HA GLY 70 8.531 -8.499 -2.207 524 HA3 GLY 70 1HA GLY 70 9.280 -7.695 -3.579 525 H LEU 71 H LEU 71 7.655 -5.259 -2.321 526 HA LEU 71 HA LEU 71 9.967 -4.172 -0.992 527 HB2 LEU 71 2HB LEU 71 7.181 -3.044 -1.347 528 HB3 LEU 71 1HB LEU 71 8.532 -2.169 -0.661 529 HG LEU 71 HG LEU 71 8.171 -3.058 -3.514 530 HD11 LEU 71 1HD1 LEU 71 8.716 -0.335 -2.341 531 HD12 LEU 71 2HD1 LEU 71 7.106 -0.943 -2.720 532 HD13 LEU 71 3HD1 LEU 71 8.288 -0.720 -4.009 533 HD21 LEU 71 3HD2 LEU 71 10.461 -3.546 -2.977 534 HD22 LEU 71 1HD2 LEU 71 10.652 -1.988 -2.172 535 HD23 LEU 71 2HD2 LEU 71 10.413 -2.055 -3.917 536 H VAL 72 H VAL 72 10.246 -3.820 1.164 537 HA VAL 72 HA VAL 72 8.568 -5.338 2.957 538 HB VAL 72 HB VAL 72 11.188 -4.937 3.002 539 HG11 VAL 72 1HG1 VAL 72 10.923 -2.473 3.318 540 HG12 VAL 72 2HG1 VAL 72 11.942 -3.270 4.516 541 HG13 VAL 72 3HG1 VAL 72 10.291 -2.809 4.930 542 HG21 VAL 72 3HG2 VAL 72 11.254 -5.809 5.165 543 HG22 VAL 72 1HG2 VAL 72 9.702 -6.341 4.519 544 HG23 VAL 72 2HG2 VAL 72 9.771 -4.983 5.642 545 H HIS 73 H HIS 73 7.985 -4.240 5.113 546 HA HIS 73 HA HIS 73 5.905 -2.537 4.937 547 HB2 HIS 73 2HB HIS 73 7.063 -3.733 6.986 548 HB3 HIS 73 1HB HIS 73 7.770 -2.150 7.239 549 HD1 HIS 73 1HD HIS 73 4.874 -4.073 8.157 550 HD2 HIS 73 2HD HIS 73 5.669 -0.068 7.413 551 HE1 HIS 73 1HE HIS 73 2.988 -2.770 9.216 552 H THR 74 H THR 74 9.231 -1.523 5.518 553 HA THR 74 HA THR 74 8.513 1.250 5.581 554 HB THR 74 HB THR 74 10.824 1.625 6.126 555 HG1 THR 74 1HG THR 74 12.302 -0.178 6.020 556 HG21 THR 74 3HG2 THR 74 9.478 0.731 7.928 557 HG22 THR 74 1HG2 THR 74 11.087 0.011 8.011 558 HG23 THR 74 2HG2 THR 74 9.736 -0.917 7.348 559 H GLU 75 H GLU 75 9.558 -0.938 3.114 560 HA GLU 75 HA GLU 75 10.903 0.946 1.492 561 HB2 GLU 75 2HB GLU 75 9.808 -1.787 1.076 562 HB3 GLU 75 1HB GLU 75 10.254 -0.826 -0.321 563 HG2 GLU 75 2HG GLU 75 12.512 -0.561 0.560 564 HG3 GLU 75 1HG GLU 75 12.074 -1.522 1.968 565 H VAL 76 H VAL 76 7.525 -0.159 1.607 566 HA VAL 76 HA VAL 76 6.719 1.312 -0.682 567 HB VAL 76 HB VAL 76 4.399 1.188 0.336 568 HG11 VAL 76 1HG1 VAL 76 5.929 -1.366 -0.052 569 HG12 VAL 76 2HG1 VAL 76 5.232 -0.364 -1.324 570 HG13 VAL 76 3HG1 VAL 76 4.179 -1.176 -0.168 571 HG21 VAL 76 3HG2 VAL 76 5.934 0.217 2.604 572 HG22 VAL 76 1HG2 VAL 76 4.649 -0.892 2.121 573 HG23 VAL 76 2HG2 VAL 76 4.257 0.786 2.529 574 H VAL 77 H VAL 77 6.588 2.003 2.772 575 HA VAL 77 HA VAL 77 5.522 4.535 2.760 576 HB VAL 77 HB VAL 77 7.715 3.511 4.538 577 HG11 VAL 77 1HG1 VAL 77 7.459 5.902 4.760 578 HG12 VAL 77 2HG1 VAL 77 6.839 5.091 6.199 579 HG13 VAL 77 3HG1 VAL 77 5.721 5.713 4.985 580 HG21 VAL 77 3HG2 VAL 77 6.132 1.943 4.954 581 HG22 VAL 77 1HG2 VAL 77 4.803 2.988 4.450 582 HG23 VAL 77 2HG2 VAL 77 5.542 3.203 6.037 583 H GLU 78 H GLU 78 8.902 3.557 2.402 584 HA GLU 78 HA GLU 78 9.988 6.141 2.203 585 HB2 GLU 78 2HB GLU 78 10.936 3.434 1.323 586 HB3 GLU 78 1HB GLU 78 11.857 4.884 0.946 587 HG2 GLU 78 2HG GLU 78 11.777 5.409 3.411 588 HG3 GLU 78 1HG GLU 78 11.167 3.773 3.638 589 H LEU 79 H LEU 79 8.920 3.859 -0.294 590 HA LEU 79 HA LEU 79 9.576 5.306 -2.562 591 HB2 LEU 79 2HB LEU 79 8.048 3.038 -1.975 592 HB3 LEU 79 1HB LEU 79 6.940 4.113 -2.804 593 HG LEU 79 HG LEU 79 7.938 2.618 -4.405 594 HD11 LEU 79 1HD1 LEU 79 7.516 4.891 -5.171 595 HD12 LEU 79 2HD1 LEU 79 8.934 4.207 -5.966 596 HD13 LEU 79 3HD1 LEU 79 9.133 5.373 -4.659 597 HD21 LEU 79 3HD2 LEU 79 10.570 3.619 -3.341 598 HD22 LEU 79 1HD2 LEU 79 10.382 2.660 -4.808 599 HD23 LEU 79 2HD2 LEU 79 9.933 1.978 -3.246 600 H ILE 80 H ILE 80 6.755 5.582 -0.474 601 HA ILE 80 HA ILE 80 5.407 7.542 -2.002 602 HB ILE 80 HB ILE 80 5.189 6.622 0.855 603 HG12 ILE 80 2HG1 ILE 80 3.012 6.399 -1.163 604 HG13 ILE 80 1HG1 ILE 80 4.426 5.375 -1.384 605 HG21 ILE 80 1HG2 ILE 80 3.696 8.796 -0.557 606 HG22 ILE 80 2HG2 ILE 80 4.465 8.833 1.029 607 HG23 ILE 80 3HG2 ILE 80 2.986 7.905 0.787 608 HD11 ILE 80 3HD1 ILE 80 2.624 4.268 -0.152 609 HD12 ILE 80 1HD1 ILE 80 2.755 5.494 1.106 610 HD13 ILE 80 2HD1 ILE 80 4.106 4.405 0.794 611 H LEU 81 H LEU 81 7.393 7.769 0.958 612 HA LEU 81 HA LEU 81 7.305 10.557 1.224 613 HB2 LEU 81 2HB LEU 81 9.529 8.661 1.993 614 HB3 LEU 81 1HB LEU 81 9.356 10.307 2.572 615 HG LEU 81 HG LEU 81 7.309 8.150 3.072 616 HD11 LEU 81 1HD1 LEU 81 9.300 7.435 4.163 617 HD12 LEU 81 2HD1 LEU 81 8.257 8.153 5.389 618 HD13 LEU 81 3HD1 LEU 81 9.630 9.061 4.756 619 HD21 LEU 81 3HD2 LEU 81 7.737 10.908 4.206 620 HD22 LEU 81 1HD2 LEU 81 6.606 9.725 4.865 621 HD23 LEU 81 2HD2 LEU 81 6.376 10.350 3.233 622 H LYS 82 H LYS 82 9.445 8.462 -0.590 623 HA LYS 82 HA LYS 82 11.350 10.291 -1.471 624 HB2 LYS 82 2HB LYS 82 11.265 7.744 -1.630 625 HB3 LYS 82 1HB LYS 82 10.376 8.034 -3.095 626 HG2 LYS 82 2HG LYS 82 12.414 9.575 -3.672 627 HG3 LYS 82 1HG LYS 82 13.231 8.521 -2.517 628 HD2 LYS 82 2HD LYS 82 11.620 7.467 -4.825 629 HD3 LYS 82 1HD LYS 82 13.344 7.823 -4.951 630 HE2 LYS 82 2HE LYS 82 13.680 6.287 -2.980 631 HE3 LYS 82 1HE LYS 82 11.991 5.814 -3.162 632 HZ1 LYS 82 3HZ LYS 82 14.112 5.516 -5.220 633 HZ2 LYS 82 1HZ LYS 82 12.494 5.075 -5.415 634 HZ3 LYS 82 2HZ LYS 82 13.459 4.268 -4.288 635 H SER 83 H SER 83 8.227 9.417 -2.756 636 HA SER 83 HA SER 83 8.343 10.570 -5.259 637 HB2 SER 83 2HB SER 83 6.466 9.201 -4.543 638 HB3 SER 83 1HB SER 83 5.985 10.426 -3.368 639 HG SER 83 HG SER 83 4.867 11.272 -4.908 640 H GLY 84 H GLY 84 7.385 12.149 -2.193 641 HA2 GLY 84 2HA GLY 84 8.495 14.474 -2.173 642 HA3 GLY 84 1HA GLY 84 7.518 14.732 -3.604 643 H ASN 85 H ASN 85 5.848 15.957 -3.179 644 HA ASN 85 HA ASN 85 4.680 15.988 -0.505 645 HB2 ASN 85 2HB ASN 85 3.474 17.984 -1.284 646 HB3 ASN 85 1HB ASN 85 5.211 18.144 -1.503 647 HD21 ASN 85 1HD2 ASN 85 6.049 18.305 -3.546 648 HD22 ASN 85 2HD2 ASN 85 5.067 18.471 -4.962 649 H LYS 86 H LYS 86 4.288 14.119 -3.005 650 HA LYS 86 HA LYS 86 1.595 13.391 -2.360 651 HB2 LYS 86 2HB LYS 86 0.834 13.552 -4.688 652 HB3 LYS 86 1HB LYS 86 1.110 15.110 -3.970 653 HG2 LYS 86 2HG LYS 86 3.132 15.401 -5.196 654 HG3 LYS 86 1HG LYS 86 3.105 13.722 -5.733 655 HD2 LYS 86 2HD LYS 86 1.002 14.195 -6.956 656 HD3 LYS 86 1HD LYS 86 1.158 15.889 -6.498 657 HE2 LYS 86 2HE LYS 86 2.002 15.672 -8.708 658 HE3 LYS 86 1HE LYS 86 3.388 15.900 -7.641 659 HZ1 LYS 86 3HZ LYS 86 2.457 13.353 -8.849 660 HZ2 LYS 86 1HZ LYS 86 3.660 13.443 -7.663 661 HZ3 LYS 86 2HZ LYS 86 3.902 14.170 -9.166 662 H VAL 87 H VAL 87 0.945 11.627 -4.064 663 HA VAL 87 HA VAL 87 3.059 10.129 -5.265 664 HB VAL 87 HB VAL 87 3.585 9.711 -2.890 665 HG11 VAL 87 1HG1 VAL 87 0.900 8.352 -2.849 666 HG12 VAL 87 2HG1 VAL 87 1.406 9.745 -1.892 667 HG13 VAL 87 3HG1 VAL 87 2.136 8.168 -1.606 668 HG21 VAL 87 3HG2 VAL 87 2.826 7.443 -4.682 669 HG22 VAL 87 1HG2 VAL 87 3.566 7.159 -3.105 670 HG23 VAL 87 2HG2 VAL 87 4.427 8.097 -4.325 671 H ALA 88 H ALA 88 2.378 8.456 -6.511 672 HA ALA 88 HA ALA 88 -0.515 8.228 -6.913 673 HB1 ALA 88 1HB ALA 88 0.752 8.742 -8.882 674 HB2 ALA 88 2HB ALA 88 0.111 7.104 -9.026 675 HB3 ALA 88 3HB ALA 88 1.806 7.355 -8.612 676 H ILE 89 H ILE 89 -1.112 6.839 -5.242 677 HA ILE 89 HA ILE 89 0.184 4.238 -5.057 678 HB ILE 89 HB ILE 89 -0.341 5.115 -2.933 679 HG12 ILE 89 2HG1 ILE 89 -2.653 3.257 -3.414 680 HG13 ILE 89 1HG1 ILE 89 -0.987 2.691 -3.421 681 HG21 ILE 89 1HG2 ILE 89 -1.936 6.814 -3.619 682 HG22 ILE 89 2HG2 ILE 89 -2.548 5.875 -2.258 683 HG23 ILE 89 3HG2 ILE 89 -3.157 5.569 -3.884 684 HD11 ILE 89 3HD1 ILE 89 -2.217 2.413 -1.263 685 HD12 ILE 89 1HD1 ILE 89 -2.218 4.169 -1.118 686 HD13 ILE 89 2HD1 ILE 89 -0.690 3.289 -1.150 687 H SER 90 H SER 90 -0.408 2.620 -6.350 688 HA SER 90 HA SER 90 -3.033 2.728 -7.632 689 HB2 SER 90 2HB SER 90 -0.772 2.350 -8.846 690 HB3 SER 90 1HB SER 90 -0.895 0.706 -8.224 691 HG SER 90 HG SER 90 -2.993 0.636 -9.248 692 H THR 91 H THR 91 -4.662 1.687 -6.719 693 HA THR 91 HA THR 91 -4.092 -0.759 -5.186 694 HB THR 91 HB THR 91 -6.243 -0.386 -4.060 695 HG1 THR 91 1HG THR 91 -7.631 0.983 -4.847 696 HG21 THR 91 3HG2 THR 91 -4.469 2.053 -4.015 697 HG22 THR 91 1HG2 THR 91 -4.215 0.571 -3.090 698 HG23 THR 91 2HG2 THR 91 -5.622 1.584 -2.763 699 H THR 92 H THR 92 -6.183 -2.268 -5.216 700 HA THR 92 HA THR 92 -6.713 -2.651 -8.088 701 HB THR 92 HB THR 92 -5.628 -4.562 -7.207 702 HG1 THR 92 1HG THR 92 -8.425 -4.938 -7.544 703 HG21 THR 92 3HG2 THR 92 -7.750 -4.720 -5.069 704 HG22 THR 92 1HG2 THR 92 -6.098 -4.157 -4.820 705 HG23 THR 92 2HG2 THR 92 -6.398 -5.828 -5.295 706 HA PRO 93 HA PRO 93 -10.896 -1.119 -7.144 707 HB2 PRO 93 2HB PRO 93 -11.083 -1.889 -10.015 708 HB3 PRO 93 1HB PRO 93 -11.658 -0.428 -9.205 709 HG2 PRO 93 2HG PRO 93 -9.455 -0.374 -10.687 710 HG3 PRO 93 1HG PRO 93 -9.538 0.525 -9.167 711 HD2 PRO 93 2HD PRO 93 -8.121 -1.994 -9.789 712 HD3 PRO 93 1HD PRO 93 -7.662 -0.694 -8.686 713 H LEU 94 H LEU 94 -13.086 -2.045 -7.831 714 HA LEU 94 HA LEU 94 -13.337 -4.641 -6.804 715 HB2 LEU 94 2HB LEU 94 -15.637 -4.063 -8.335 716 HB3 LEU 94 1HB LEU 94 -15.445 -3.955 -6.610 717 HG LEU 94 HG LEU 94 -14.512 -1.600 -7.055 718 HD11 LEU 94 1HD1 LEU 94 -14.164 -1.600 -9.348 719 HD12 LEU 94 2HD1 LEU 94 -15.651 -0.671 -9.146 720 HD13 LEU 94 3HD1 LEU 94 -15.723 -2.353 -9.672 721 HD21 LEU 94 3HD2 LEU 94 -16.711 -2.167 -6.025 722 HD22 LEU 94 1HD2 LEU 94 -17.424 -2.116 -7.636 723 HD23 LEU 94 2HD2 LEU 94 -16.711 -0.662 -6.940 724 H GLU 95 H GLU 95 -14.205 -6.519 -7.827 725 HA GLU 95 HA GLU 95 -14.145 -6.768 -10.683 726 HB2 GLU 95 2HB GLU 95 -12.344 -8.306 -10.889 727 HB3 GLU 95 1HB GLU 95 -11.714 -6.943 -9.980 728 HG2 GLU 95 2HG GLU 95 -12.770 -9.357 -8.571 729 HG3 GLU 95 1HG GLU 95 -11.141 -9.345 -9.233 730 H ASN 96 H ASN 96 -14.799 -8.937 -11.357 731 HA ASN 96 HA ASN 96 -16.766 -10.002 -9.555 732 HB2 ASN 96 2HB ASN 96 -17.379 -11.500 -11.396 733 HB3 ASN 96 1HB ASN 96 -17.252 -9.843 -11.970 734 HD21 ASN 96 1HD2 ASN 96 -15.658 -9.296 -13.414 735 HD22 ASN 96 2HD2 ASN 96 -14.675 -10.475 -14.215 736 H1 SER 101 1HT SER 101 -1.757 -18.417 1.653 737 H2 SER 101 2HT SER 101 -2.799 -18.209 2.966 738 H3 SER 101 3HT SER 101 -1.134 -18.358 3.232 739 HA SER 101 HA SER 101 -0.707 -16.293 2.165 740 HB2 SER 101 2HB SER 101 -3.696 -16.278 1.693 741 HB3 SER 101 1HB SER 101 -2.641 -14.888 1.424 742 HG SER 101 HG SER 101 -3.084 -17.044 -0.154 743 H TRP 102 H TRP 102 -0.459 -14.574 3.525 744 HA TRP 102 HA TRP 102 -0.539 -13.326 5.407 745 HB2 TRP 102 2HB TRP 102 -3.059 -13.244 4.701 746 HB3 TRP 102 1HB TRP 102 -3.294 -14.342 6.056 747 HD1 TRP 102 HD TRP 102 -1.505 -13.105 8.257 748 HE1 TRP 102 1HE TRP 102 -2.010 -10.795 9.258 749 HE3 TRP 102 3HE TRP 102 -4.350 -11.184 4.464 750 HZ2 TRP 102 2HZ TRP 102 -3.421 -8.468 8.538 751 HZ3 TRP 102 3HZ TRP 102 -5.241 -8.900 4.713 752 HH2 TRP 102 HH TRP 102 -4.783 -7.577 6.702 753 H GLU 103 H GLU 103 0.774 -15.612 5.534 754 HA GLU 103 HA GLU 103 -0.046 -17.316 7.666 755 HB2 GLU 103 2HB GLU 103 2.380 -17.025 5.961 756 HB3 GLU 103 1HB GLU 103 2.531 -17.927 7.462 757 HG2 GLU 103 2HG GLU 103 2.092 -19.432 5.639 758 HG3 GLU 103 1HG GLU 103 0.715 -19.412 6.735 759 H SER 104 H SER 104 1.637 -14.312 7.502 760 HA SER 104 HA SER 104 1.670 -14.031 10.321 761 HB2 SER 104 2HB SER 104 4.133 -13.888 10.610 762 HB3 SER 104 1HB SER 104 3.590 -15.513 10.194 763 HG SER 104 HG SER 104 4.927 -15.385 8.589 764 H HIS 105 H HIS 105 3.107 -12.060 10.934 765 HA HIS 105 HA HIS 105 2.740 -9.966 8.892 766 HB2 HIS 105 2HB HIS 105 2.030 -10.132 11.706 767 HB3 HIS 105 1HB HIS 105 3.067 -8.747 11.393 768 HD2 HIS 105 2HD HIS 105 -0.335 -10.167 9.998 769 HE1 HIS 105 1HE HIS 105 -0.283 -5.950 9.714 770 HE2 HIS 105 2HE HIS 105 -1.731 -8.021 9.607 771 H LYS 106 H LYS 106 5.015 -11.771 9.284 772 HA LYS 106 HA LYS 106 7.122 -10.328 10.568 773 HB2 LYS 106 2HB LYS 106 7.182 -12.726 8.733 774 HB3 LYS 106 1HB LYS 106 8.566 -12.113 9.626 775 HG2 LYS 106 2HG LYS 106 7.496 -12.598 11.726 776 HG3 LYS 106 1HG LYS 106 6.017 -13.078 10.898 777 HD2 LYS 106 2HD LYS 106 7.175 -15.066 11.524 778 HD3 LYS 106 1HD LYS 106 7.330 -14.887 9.775 779 HE2 LYS 106 2HE LYS 106 9.571 -14.136 9.961 780 HE3 LYS 106 1HE LYS 106 9.427 -13.925 11.705 781 HZ1 LYS 106 3HZ LYS 106 9.319 -16.532 10.285 782 HZ2 LYS 106 1HZ LYS 106 9.232 -16.304 11.959 783 HZ3 LYS 106 2HZ LYS 106 10.657 -15.932 11.128 784 H SER 107 H SER 107 5.825 -8.794 8.500 785 HA SER 107 HA SER 107 8.048 -8.461 6.598 786 HB2 SER 107 2HB SER 107 5.220 -7.447 6.260 787 HB3 SER 107 1HB SER 107 6.487 -7.515 5.037 788 HG SER 107 HG SER 107 5.073 -9.236 4.747 789 H GLY 108 H GLY 108 7.092 -7.357 9.428 790 HA2 GLY 108 2HA GLY 108 8.554 -5.229 9.869 791 HA3 GLY 108 1HA GLY 108 7.310 -4.489 8.871 792 H GLY 109 H GLY 109 6.907 -3.165 10.792 793 HA2 GLY 109 2HA GLY 109 5.310 -4.624 12.799 794 HA3 GLY 109 1HA GLY 109 6.195 -3.144 13.135 795 H GLU 110 H GLU 110 5.348 -1.174 12.511 796 HA GLU 110 HA GLU 110 2.876 -1.024 11.021 797 HB2 GLU 110 2HB GLU 110 2.498 -1.532 13.621 798 HB3 GLU 110 1HB GLU 110 2.720 0.208 13.733 799 HG2 GLU 110 2HG GLU 110 0.735 -1.080 11.886 800 HG3 GLU 110 1HG GLU 110 0.350 -0.598 13.535 801 H THR 111 H THR 111 3.830 0.399 9.628 802 HA THR 111 HA THR 111 4.628 2.996 10.761 803 HB THR 111 HB THR 111 5.852 1.875 8.244 804 HG1 THR 111 1HG THR 111 6.210 0.675 10.405 805 HG21 THR 111 3HG2 THR 111 7.650 3.494 8.836 806 HG22 THR 111 1HG2 THR 111 6.650 4.054 10.175 807 HG23 THR 111 2HG2 THR 111 6.093 4.257 8.513 808 H ARG 112 H ARG 112 2.377 3.532 10.382 809 HA ARG 112 HA ARG 112 1.248 3.503 7.789 810 HB2 ARG 112 2HB ARG 112 -0.438 5.066 8.764 811 HB3 ARG 112 1HB ARG 112 -0.208 3.594 9.695 812 HG2 ARG 112 2HG ARG 112 1.529 5.188 10.966 813 HG3 ARG 112 1HG ARG 112 0.376 6.398 10.396 814 HD2 ARG 112 2HD ARG 112 -1.446 5.018 11.391 815 HD3 ARG 112 1HD ARG 112 -0.208 3.971 12.083 816 HE ARG 112 HE ARG 112 -0.500 6.836 12.738 817 HH11 ARG 112 1HH1 ARG 112 0.265 3.526 13.663 818 HH12 ARG 112 2HH1 ARG 112 0.560 3.942 15.325 819 HH21 ARG 112 1HH2 ARG 112 -0.106 7.360 14.922 820 HH22 ARG 112 2HH2 ARG 112 0.350 6.114 16.040 821 H LEU 113 H LEU 113 0.589 5.509 6.597 822 HA LEU 113 HA LEU 113 2.952 7.182 6.265 823 HB2 LEU 113 2HB LEU 113 0.560 6.527 4.595 824 HB3 LEU 113 1HB LEU 113 1.429 8.010 4.272 825 HG LEU 113 HG LEU 113 2.170 6.242 2.776 826 HD11 LEU 113 1HD1 LEU 113 3.813 7.879 3.357 827 HD12 LEU 113 2HD1 LEU 113 4.582 6.295 3.265 828 HD13 LEU 113 3HD1 LEU 113 4.218 7.009 4.835 829 HD21 LEU 113 3HD2 LEU 113 1.643 4.356 4.293 830 HD22 LEU 113 1HD2 LEU 113 3.085 4.754 5.226 831 HD23 LEU 113 2HD2 LEU 113 3.236 4.242 3.545 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -9.876 -11.779 -12.178 2 H2 GLY 1 2HT GLY 1 -9.335 -11.205 -13.672 3 H3 GLY 1 3HT GLY 1 -10.894 -10.830 -13.139 4 HA2 GLY 1 1HA GLY 1 -9.895 -9.612 -11.242 5 HA3 GLY 1 2HA GLY 1 -8.332 -9.880 -11.999 6 H GLY 2 H GLY 2 -7.634 -8.122 -13.009 7 HA2 GLY 2 2HA GLY 2 -9.187 -6.856 -15.041 8 HA3 GLY 2 1HA GLY 2 -9.077 -5.855 -13.600 9 H SER 3 H SER 3 -8.020 -4.473 -15.342 10 HA SER 3 HA SER 3 -5.142 -4.776 -15.041 11 HB2 SER 3 2HB SER 3 -6.461 -4.457 -17.750 12 HB3 SER 3 1HB SER 3 -4.727 -4.386 -17.444 13 HG SER 3 HG SER 3 -5.813 -6.632 -16.394 14 H MET 4 H MET 4 -3.973 -2.802 -15.546 15 HA MET 4 HA MET 4 -3.605 -0.571 -15.414 16 HB2 MET 4 2HB MET 4 -6.299 -0.542 -16.757 17 HB3 MET 4 1HB MET 4 -5.466 0.946 -16.340 18 HG2 MET 4 2HG MET 4 -3.645 0.428 -17.778 19 HG3 MET 4 1HG MET 4 -4.256 -1.203 -18.049 20 HE1 MET 4 3HE MET 4 -6.474 2.026 -17.862 21 HE2 MET 4 1HE MET 4 -6.457 2.570 -19.541 22 HE3 MET 4 2HE MET 4 -4.980 2.629 -18.580 23 H ARG 5 H ARG 5 -3.594 -0.853 -13.121 24 HA ARG 5 HA ARG 5 -5.936 -0.351 -11.569 25 HB2 ARG 5 2HB ARG 5 -3.002 -0.486 -10.876 26 HB3 ARG 5 1HB ARG 5 -4.241 -0.143 -9.679 27 HG2 ARG 5 2HG ARG 5 -3.939 -2.409 -9.428 28 HG3 ARG 5 1HG ARG 5 -5.317 -2.345 -10.526 29 HD2 ARG 5 2HD ARG 5 -3.892 -2.775 -12.419 30 HD3 ARG 5 1HD ARG 5 -2.452 -2.668 -11.407 31 HE ARG 5 HE ARG 5 -4.233 -4.675 -10.470 32 HH11 ARG 5 1HH1 ARG 5 -1.881 -4.027 -12.982 33 HH12 ARG 5 2HH1 ARG 5 -1.405 -5.684 -13.137 34 HH21 ARG 5 1HH2 ARG 5 -3.621 -6.852 -10.676 35 HH22 ARG 5 2HH2 ARG 5 -2.383 -7.300 -11.810 36 HA PRO 6 HA PRO 6 -5.583 4.092 -11.769 37 HB2 PRO 6 2HB PRO 6 -7.653 4.410 -9.829 38 HB3 PRO 6 1HB PRO 6 -7.815 4.439 -11.587 39 HG2 PRO 6 2HG PRO 6 -8.884 2.478 -9.960 40 HG3 PRO 6 1HG PRO 6 -8.521 2.266 -11.672 41 HD2 PRO 6 2HD PRO 6 -6.904 1.506 -9.271 42 HD3 PRO 6 1HD PRO 6 -7.271 0.568 -10.731 43 HA PRO 7 HA PRO 7 -3.125 4.673 -7.978 44 HB2 PRO 7 2HB PRO 7 -1.973 6.914 -9.414 45 HB3 PRO 7 1HB PRO 7 -1.184 5.482 -8.764 46 HG2 PRO 7 2HG PRO 7 -1.471 5.909 -11.416 47 HG3 PRO 7 1HG PRO 7 -1.489 4.282 -10.711 48 HD2 PRO 7 2HD PRO 7 -3.798 5.986 -11.594 49 HD3 PRO 7 1HD PRO 7 -3.544 4.239 -11.805 50 H ILE 8 H ILE 8 -4.050 5.677 -6.381 51 HA ILE 8 HA ILE 8 -5.563 8.087 -6.748 52 HB ILE 8 HB ILE 8 -4.870 6.951 -4.074 53 HG12 ILE 8 2HG1 ILE 8 -7.251 5.865 -5.314 54 HG13 ILE 8 1HG1 ILE 8 -5.809 5.395 -6.140 55 HG21 ILE 8 1HG2 ILE 8 -6.251 9.033 -4.451 56 HG22 ILE 8 2HG2 ILE 8 -7.018 7.764 -3.494 57 HG23 ILE 8 3HG2 ILE 8 -7.449 7.970 -5.189 58 HD11 ILE 8 3HD1 ILE 8 -6.289 5.007 -3.213 59 HD12 ILE 8 1HD1 ILE 8 -4.898 4.432 -4.130 60 HD13 ILE 8 2HD1 ILE 8 -6.502 3.763 -4.445 61 H ILE 9 H ILE 9 -4.463 9.933 -6.933 62 HA ILE 9 HA ILE 9 -1.807 10.207 -5.901 63 HB ILE 9 HB ILE 9 -3.407 12.549 -6.845 64 HG12 ILE 9 2HG1 ILE 9 -3.846 10.699 -8.458 65 HG13 ILE 9 1HG1 ILE 9 -2.954 12.041 -9.166 66 HG21 ILE 9 1HG2 ILE 9 -1.184 12.980 -6.034 67 HG22 ILE 9 2HG2 ILE 9 -1.206 13.205 -7.786 68 HG23 ILE 9 3HG2 ILE 9 -0.514 11.735 -7.090 69 HD11 ILE 9 3HD1 ILE 9 -2.098 9.890 -9.910 70 HD12 ILE 9 1HD1 ILE 9 -1.770 9.437 -8.238 71 HD13 ILE 9 2HD1 ILE 9 -0.889 10.773 -8.978 72 H ILE 10 H ILE 10 -1.721 10.208 -3.692 73 HA ILE 10 HA ILE 10 -3.584 11.743 -2.115 74 HB ILE 10 HB ILE 10 -0.886 10.677 -1.212 75 HG12 ILE 10 2HG1 ILE 10 -3.297 9.246 -0.357 76 HG13 ILE 10 1HG1 ILE 10 -2.903 9.055 -2.037 77 HG21 ILE 10 1HG2 ILE 10 -2.274 10.608 1.002 78 HG22 ILE 10 2HG2 ILE 10 -3.251 11.828 0.183 79 HG23 ILE 10 3HG2 ILE 10 -1.533 12.113 0.459 80 HD11 ILE 10 3HD1 ILE 10 -0.568 8.465 -1.256 81 HD12 ILE 10 1HD1 ILE 10 -1.855 7.287 -0.996 82 HD13 ILE 10 2HD1 ILE 10 -1.308 8.300 0.336 83 H HIS 11 H HIS 11 -2.755 13.534 -0.706 84 HA HIS 11 HA HIS 11 -0.465 14.949 -1.806 85 HB2 HIS 11 2HB HIS 11 -2.586 15.766 -2.941 86 HB3 HIS 11 1HB HIS 11 -3.137 16.317 -1.363 87 HD2 HIS 11 2HD HIS 11 0.019 17.019 -3.639 88 HE1 HIS 11 1HE HIS 11 -1.120 20.517 -1.550 89 HE2 HIS 11 2HE HIS 11 0.357 19.579 -3.383 90 H ARG 12 H ARG 12 0.773 15.024 -0.078 91 HA ARG 12 HA ARG 12 -0.118 14.830 2.577 92 HB2 ARG 12 2HB ARG 12 2.134 14.211 1.772 93 HB3 ARG 12 1HB ARG 12 2.493 15.911 1.522 94 HG2 ARG 12 2HG ARG 12 2.285 16.330 3.895 95 HG3 ARG 12 1HG ARG 12 1.850 14.640 4.170 96 HD2 ARG 12 2HD ARG 12 3.990 13.916 3.346 97 HD3 ARG 12 1HD ARG 12 4.430 15.567 2.937 98 HE ARG 12 HE ARG 12 4.111 14.530 5.679 99 HH11 ARG 12 1HH1 ARG 12 5.415 16.864 3.418 100 HH12 ARG 12 2HH1 ARG 12 6.428 17.630 4.597 101 HH21 ARG 12 1HH2 ARG 12 5.457 15.548 7.242 102 HH22 ARG 12 2HH2 ARG 12 6.464 16.879 6.760 103 H ALA 13 H ALA 13 -1.332 16.298 3.537 104 HA ALA 13 HA ALA 13 -1.178 19.104 2.898 105 HB1 ALA 13 1HB ALA 13 -3.039 19.366 4.386 106 HB2 ALA 13 2HB ALA 13 -2.768 17.768 5.085 107 HB3 ALA 13 3HB ALA 13 -3.312 17.918 3.415 108 H GLY 14 H GLY 14 1.278 18.354 3.776 109 HA2 GLY 14 2HA GLY 14 2.907 19.203 5.173 110 HA3 GLY 14 1HA GLY 14 1.652 20.068 6.044 111 H LYS 15 H LYS 15 0.654 16.953 5.944 112 HA LYS 15 HA LYS 15 2.009 16.311 8.472 113 HB2 LYS 15 2HB LYS 15 -0.233 14.932 8.812 114 HB3 LYS 15 1HB LYS 15 -0.092 16.612 9.295 115 HG2 LYS 15 2HG LYS 15 -1.317 17.359 7.417 116 HG3 LYS 15 1HG LYS 15 -1.191 15.790 6.623 117 HD2 LYS 15 2HD LYS 15 -3.415 16.041 7.524 118 HD3 LYS 15 1HD LYS 15 -2.553 14.804 8.441 119 HE2 LYS 15 2HE LYS 15 -2.033 16.514 10.160 120 HE3 LYS 15 1HE LYS 15 -3.021 17.668 9.265 121 HZ1 LYS 15 3HZ LYS 15 -4.943 16.264 9.611 122 HZ2 LYS 15 1HZ LYS 15 -4.230 16.629 11.100 123 HZ3 LYS 15 2HZ LYS 15 -4.003 15.106 10.409 124 H LYS 16 H LYS 16 -0.215 14.344 6.532 125 HA LYS 16 HA LYS 16 1.920 12.645 5.596 126 HB2 LYS 16 2HB LYS 16 0.712 10.617 6.672 127 HB3 LYS 16 1HB LYS 16 1.797 11.571 7.660 128 HG2 LYS 16 2HG LYS 16 -0.397 12.869 8.266 129 HG3 LYS 16 1HG LYS 16 -1.160 11.366 7.751 130 HD2 LYS 16 2HD LYS 16 0.179 10.117 9.360 131 HD3 LYS 16 1HD LYS 16 0.985 11.605 9.860 132 HE2 LYS 16 2HE LYS 16 -1.155 12.517 10.612 133 HE3 LYS 16 1HE LYS 16 -1.968 11.039 10.100 134 HZ1 LYS 16 3HZ LYS 16 -0.912 9.805 11.775 135 HZ2 LYS 16 1HZ LYS 16 -1.401 11.234 12.535 136 HZ3 LYS 16 2HZ LYS 16 0.217 11.023 12.098 137 H TYR 17 H TYR 17 0.715 10.510 4.682 138 HA TYR 17 HA TYR 17 -1.193 11.589 2.767 139 HB2 TYR 17 2HB TYR 17 0.009 8.817 2.761 140 HB3 TYR 17 1HB TYR 17 -0.733 9.684 1.396 141 HD1 TYR 17 1HD TYR 17 2.263 9.428 3.528 142 HD2 TYR 17 2HD TYR 17 0.439 11.449 0.275 143 HE1 TYR 17 1HE TYR 17 4.424 10.429 2.958 144 HE2 TYR 17 2HE TYR 17 2.598 12.471 -0.318 145 HH TYR 17 HH TYR 17 4.754 12.761 0.320 146 H GLY 18 H GLY 18 -1.443 10.488 5.703 147 HA2 GLY 18 2HA GLY 18 -3.095 9.644 6.993 148 HA3 GLY 18 1HA GLY 18 -4.156 10.181 5.727 149 H PHE 19 H PHE 19 -1.836 7.506 5.740 150 HA PHE 19 HA PHE 19 -3.920 5.586 6.129 151 HB2 PHE 19 2HB PHE 19 -4.050 4.543 4.036 152 HB3 PHE 19 1HB PHE 19 -4.169 6.236 3.702 153 HD1 PHE 19 2HD PHE 19 -1.852 7.411 3.121 154 HD2 PHE 19 1HD PHE 19 -2.643 3.242 2.820 155 HE1 PHE 19 2HE PHE 19 0.033 7.161 1.548 156 HE2 PHE 19 1HE PHE 19 -0.769 2.989 1.254 157 HZ PHE 19 HZ PHE 19 0.573 4.953 0.616 158 H THR 20 H THR 20 -3.351 3.574 6.423 159 HA THR 20 HA THR 20 -0.563 3.133 7.206 160 HB THR 20 HB THR 20 -3.064 1.512 7.737 161 HG1 THR 20 1HG THR 20 -3.003 2.464 9.735 162 HG21 THR 20 3HG2 THR 20 -0.383 1.174 9.074 163 HG22 THR 20 1HG2 THR 20 -0.893 0.194 7.700 164 HG23 THR 20 2HG2 THR 20 -1.805 0.137 9.210 165 H LEU 21 H LEU 21 0.810 2.185 5.776 166 HA LEU 21 HA LEU 21 -0.259 0.435 3.713 167 HB2 LEU 21 2HB LEU 21 1.735 2.229 3.527 168 HB3 LEU 21 1HB LEU 21 2.678 0.839 3.974 169 HG LEU 21 HG LEU 21 2.543 -0.052 1.935 170 HD11 LEU 21 1HD1 LEU 21 0.501 -0.193 0.590 171 HD12 LEU 21 2HD1 LEU 21 -0.336 0.828 1.758 172 HD13 LEU 21 3HD1 LEU 21 0.240 -0.770 2.235 173 HD21 LEU 21 3HD2 LEU 21 1.369 2.620 1.220 174 HD22 LEU 21 1HD2 LEU 21 2.231 1.525 0.138 175 HD23 LEU 21 2HD2 LEU 21 3.078 2.286 1.486 176 H ARG 22 H ARG 22 -0.903 -1.321 5.006 177 HA ARG 22 HA ARG 22 0.859 -2.692 6.780 178 HB2 ARG 22 2HB ARG 22 -1.797 -2.761 6.415 179 HB3 ARG 22 1HB ARG 22 -1.368 -4.150 5.438 180 HG2 ARG 22 2HG ARG 22 -1.808 -5.085 7.497 181 HG3 ARG 22 1HG ARG 22 -0.051 -4.925 7.510 182 HD2 ARG 22 2HD ARG 22 -0.174 -2.959 8.868 183 HD3 ARG 22 1HD ARG 22 -1.929 -2.884 8.695 184 HE ARG 22 HE ARG 22 -1.340 -5.351 9.824 185 HH11 ARG 22 1HH1 ARG 22 -1.027 -1.969 10.703 186 HH12 ARG 22 2HH1 ARG 22 -1.073 -2.284 12.408 187 HH21 ARG 22 1HH2 ARG 22 -1.422 -5.749 12.070 188 HH22 ARG 22 2HH2 ARG 22 -1.305 -4.417 13.178 189 H ALA 23 H ALA 23 2.151 -4.481 6.408 190 HA ALA 23 HA ALA 23 2.624 -5.170 3.585 191 HB1 ALA 23 1HB ALA 23 4.434 -5.525 5.976 192 HB2 ALA 23 2HB ALA 23 4.573 -4.268 4.746 193 HB3 ALA 23 3HB ALA 23 4.828 -5.958 4.312 194 H ILE 24 H ILE 24 2.465 -7.288 2.891 195 HA ILE 24 HA ILE 24 2.057 -9.365 4.913 196 HB ILE 24 HB ILE 24 0.153 -10.264 3.442 197 HG12 ILE 24 2HG1 ILE 24 -0.290 -7.366 2.787 198 HG13 ILE 24 1HG1 ILE 24 0.649 -8.393 1.708 199 HG21 ILE 24 1HG2 ILE 24 -0.160 -9.512 5.719 200 HG22 ILE 24 2HG2 ILE 24 -1.511 -8.988 4.714 201 HG23 ILE 24 3HG2 ILE 24 -0.257 -7.837 5.175 202 HD11 ILE 24 3HD1 ILE 24 -1.703 -8.199 1.044 203 HD12 ILE 24 1HD1 ILE 24 -2.179 -8.936 2.573 204 HD13 ILE 24 2HD1 ILE 24 -1.235 -9.861 1.404 205 H ARG 25 H ARG 25 2.599 -11.402 4.296 206 HA ARG 25 HA ARG 25 3.836 -11.664 1.635 207 HB2 ARG 25 2HB ARG 25 4.604 -12.933 4.270 208 HB3 ARG 25 1HB ARG 25 5.271 -13.425 2.719 209 HG2 ARG 25 2HG ARG 25 6.340 -11.333 2.412 210 HG3 ARG 25 1HG ARG 25 5.458 -10.612 3.759 211 HD2 ARG 25 2HD ARG 25 6.623 -12.048 5.325 212 HD3 ARG 25 1HD ARG 25 7.449 -12.866 4.000 213 HE ARG 25 HE ARG 25 8.238 -10.362 3.594 214 HH11 ARG 25 1HH1 ARG 25 8.045 -12.192 6.573 215 HH12 ARG 25 2HH1 ARG 25 9.364 -11.352 7.322 216 HH21 ARG 25 1HH2 ARG 25 9.980 -9.257 4.592 217 HH22 ARG 25 2HH2 ARG 25 10.448 -9.678 6.210 218 H VAL 26 H VAL 26 2.018 -12.450 0.627 219 HA VAL 26 HA VAL 26 0.469 -14.594 1.733 220 HB VAL 26 HB VAL 26 -0.554 -14.651 -0.605 221 HG11 VAL 26 1HG1 VAL 26 -1.678 -12.381 -0.222 222 HG12 VAL 26 2HG1 VAL 26 -0.634 -12.246 1.194 223 HG13 VAL 26 3HG1 VAL 26 -1.791 -13.573 1.075 224 HG21 VAL 26 3HG2 VAL 26 -0.158 -12.779 -2.056 225 HG22 VAL 26 1HG2 VAL 26 1.372 -13.603 -1.749 226 HG23 VAL 26 2HG2 VAL 26 1.001 -12.091 -0.917 227 H TYR 27 H TYR 27 1.028 -16.635 1.751 228 HA TYR 27 HA TYR 27 3.234 -17.604 0.187 229 HB2 TYR 27 2HB TYR 27 1.465 -18.744 2.309 230 HB3 TYR 27 1HB TYR 27 2.417 -19.838 1.312 231 HD1 TYR 27 2HD TYR 27 2.908 -16.657 3.224 232 HD2 TYR 27 1HD TYR 27 4.472 -20.454 2.126 233 HE1 TYR 27 2HE TYR 27 4.874 -16.252 4.642 234 HE2 TYR 27 1HE TYR 27 6.430 -20.061 3.552 235 HH TYR 27 HH TYR 27 7.620 -18.443 4.625 236 H MET 28 H MET 28 3.156 -19.464 -1.203 237 HA MET 28 HA MET 28 0.537 -19.996 -2.411 238 HB2 MET 28 2HB MET 28 3.031 -19.216 -3.903 239 HB3 MET 28 1HB MET 28 1.616 -19.889 -4.678 240 HG2 MET 28 2HG MET 28 0.344 -17.993 -3.887 241 HG3 MET 28 1HG MET 28 1.784 -17.317 -3.156 242 HE1 MET 28 3HE MET 28 4.022 -17.984 -5.320 243 HE2 MET 28 1HE MET 28 3.860 -16.421 -4.518 244 HE3 MET 28 2HE MET 28 3.993 -16.503 -6.274 245 H GLY 29 H GLY 29 0.731 -21.965 -1.182 246 HA2 GLY 29 2HA GLY 29 0.907 -24.295 -1.970 247 HA3 GLY 29 1HA GLY 29 2.536 -23.899 -2.494 248 H ASP 30 H ASP 30 3.244 -25.702 -1.230 249 HA ASP 30 HA ASP 30 3.028 -25.436 1.669 250 HB2 ASP 30 2HB ASP 30 4.051 -27.620 -0.138 251 HB3 ASP 30 1HB ASP 30 4.346 -27.643 1.598 252 H SER 31 H SER 31 5.206 -24.745 -0.857 253 HA SER 31 HA SER 31 7.627 -24.872 0.641 254 HB2 SER 31 2HB SER 31 7.716 -23.035 -1.594 255 HB3 SER 31 1HB SER 31 8.527 -24.587 -1.397 256 HG SER 31 HG SER 31 6.913 -25.592 -2.383 257 H ASP 32 H ASP 32 9.026 -22.809 0.765 258 HA ASP 32 HA ASP 32 7.594 -20.914 2.403 259 HB2 ASP 32 2HB ASP 32 9.901 -21.824 2.929 260 HB3 ASP 32 1HB ASP 32 10.508 -20.821 1.618 261 H VAL 33 H VAL 33 7.188 -21.069 -0.563 262 HA VAL 33 HA VAL 33 8.197 -18.565 -1.559 263 HB VAL 33 HB VAL 33 8.030 -20.280 -3.192 264 HG11 VAL 33 1HG1 VAL 33 5.960 -21.410 -3.779 265 HG12 VAL 33 2HG1 VAL 33 5.096 -20.513 -2.531 266 HG13 VAL 33 3HG1 VAL 33 6.342 -21.675 -2.079 267 HG21 VAL 33 3HG2 VAL 33 6.469 -19.266 -4.846 268 HG22 VAL 33 1HG2 VAL 33 7.535 -18.105 -4.056 269 HG23 VAL 33 2HG2 VAL 33 5.849 -18.235 -3.556 270 H TYR 34 H TYR 34 7.244 -16.712 -1.458 271 HA TYR 34 HA TYR 34 4.371 -16.498 -1.112 272 HB2 TYR 34 2HB TYR 34 4.645 -14.906 0.805 273 HB3 TYR 34 1HB TYR 34 5.067 -16.567 1.194 274 HD1 TYR 34 1HD TYR 34 6.573 -13.295 0.244 275 HD2 TYR 34 2HD TYR 34 7.146 -17.065 2.120 276 HE1 TYR 34 1HE TYR 34 8.767 -12.549 1.059 277 HE2 TYR 34 2HE TYR 34 9.340 -16.329 2.940 278 HH TYR 34 HH TYR 34 11.044 -14.712 2.439 279 H THR 35 H THR 35 3.576 -14.336 -1.482 280 HA THR 35 HA THR 35 5.471 -12.761 -3.094 281 HB THR 35 HB THR 35 2.808 -11.864 -3.499 282 HG1 THR 35 1HG THR 35 3.103 -14.636 -3.277 283 HG21 THR 35 3HG2 THR 35 4.714 -13.407 -5.261 284 HG22 THR 35 1HG2 THR 35 4.585 -11.653 -5.131 285 HG23 THR 35 2HG2 THR 35 3.260 -12.586 -5.827 286 H VAL 36 H VAL 36 6.044 -10.852 -2.335 287 HA VAL 36 HA VAL 36 4.902 -9.914 0.150 288 HB VAL 36 HB VAL 36 7.025 -8.449 -1.394 289 HG11 VAL 36 1HG1 VAL 36 7.728 -7.742 0.819 290 HG12 VAL 36 2HG1 VAL 36 6.488 -8.758 1.557 291 HG13 VAL 36 3HG1 VAL 36 6.022 -7.372 0.571 292 HG21 VAL 36 3HG2 VAL 36 7.806 -10.729 -1.321 293 HG22 VAL 36 1HG2 VAL 36 7.405 -10.850 0.392 294 HG23 VAL 36 2HG2 VAL 36 8.702 -9.778 -0.138 295 H HIS 37 H HIS 37 2.988 -8.967 -0.079 296 HA HIS 37 HA HIS 37 2.728 -6.821 -2.082 297 HB2 HIS 37 2HB HIS 37 0.569 -8.550 -0.849 298 HB3 HIS 37 1HB HIS 37 0.272 -7.191 -1.922 299 HD2 HIS 37 2HD HIS 37 -0.067 -10.681 -2.328 300 HE1 HIS 37 1HE HIS 37 2.089 -9.601 -5.807 301 HE2 HIS 37 2HE HIS 37 0.573 -11.342 -4.758 302 H HIS 38 H HIS 38 0.665 -5.422 -1.195 303 HA HIS 38 HA HIS 38 0.943 -4.864 1.646 304 HB2 HIS 38 2HB HIS 38 1.565 -2.805 -0.491 305 HB3 HIS 38 1HB HIS 38 1.294 -2.421 1.202 306 HD2 HIS 38 2HD HIS 38 4.110 -3.142 -1.114 307 HE1 HIS 38 1HE HIS 38 5.528 -4.081 2.750 308 HE2 HIS 38 2HE HIS 38 6.100 -4.043 0.289 309 H MET 39 H MET 39 -0.761 -3.526 2.439 310 HA MET 39 HA MET 39 -2.933 -2.897 0.599 311 HB2 MET 39 2HB MET 39 -3.331 -4.751 2.963 312 HB3 MET 39 1HB MET 39 -4.607 -4.113 1.939 313 HG2 MET 39 2HG MET 39 -3.366 -5.289 0.021 314 HG3 MET 39 1HG MET 39 -2.528 -6.167 1.297 315 HE1 MET 39 3HE MET 39 -3.841 -7.640 3.154 316 HE2 MET 39 1HE MET 39 -5.590 -7.865 3.143 317 HE3 MET 39 2HE MET 39 -4.907 -6.275 3.488 318 H VAL 40 H VAL 40 -4.210 -1.251 1.332 319 HA VAL 40 HA VAL 40 -3.185 0.277 3.510 320 HB VAL 40 HB VAL 40 -4.015 1.547 1.705 321 HG11 VAL 40 1HG1 VAL 40 -6.838 0.839 1.831 322 HG12 VAL 40 2HG1 VAL 40 -5.801 -0.484 1.299 323 HG13 VAL 40 3HG1 VAL 40 -5.778 1.052 0.436 324 HG21 VAL 40 3HG2 VAL 40 -5.455 3.062 2.769 325 HG22 VAL 40 1HG2 VAL 40 -4.576 2.278 4.083 326 HG23 VAL 40 2HG2 VAL 40 -6.232 1.791 3.715 327 H TRP 41 H TRP 41 -3.440 -0.430 5.447 328 HA TRP 41 HA TRP 41 -5.553 -2.106 6.337 329 HB2 TRP 41 2HB TRP 41 -3.075 -1.686 7.199 330 HB3 TRP 41 1HB TRP 41 -3.902 -0.563 8.265 331 HD1 TRP 41 HD TRP 41 -3.978 -1.724 10.517 332 HE1 TRP 41 1HE TRP 41 -4.753 -4.015 11.378 333 HE3 TRP 41 3HE TRP 41 -5.007 -3.970 6.037 334 HZ2 TRP 41 2HZ TRP 41 -5.701 -6.456 10.299 335 HZ3 TRP 41 3HZ TRP 41 -5.849 -6.278 6.043 336 HH2 TRP 41 HH TRP 41 -6.185 -7.493 8.131 337 H HIS 42 H HIS 42 -4.765 1.272 6.773 338 HA HIS 42 HA HIS 42 -7.544 1.907 7.332 339 HB2 HIS 42 2HB HIS 42 -5.989 1.364 9.476 340 HB3 HIS 42 1HB HIS 42 -5.649 3.070 9.282 341 HD2 HIS 42 2HD HIS 42 -8.068 4.707 9.308 342 HE1 HIS 42 1HE HIS 42 -10.096 1.863 11.692 343 HE2 HIS 42 2HE HIS 42 -10.024 4.283 10.956 344 H VAL 43 H VAL 43 -8.033 3.833 6.494 345 HA VAL 43 HA VAL 43 -5.814 5.684 6.010 346 HB VAL 43 HB VAL 43 -6.265 4.686 3.897 347 HG11 VAL 43 1HG1 VAL 43 -9.132 5.324 4.436 348 HG12 VAL 43 2HG1 VAL 43 -8.392 3.741 4.195 349 HG13 VAL 43 3HG1 VAL 43 -8.509 4.876 2.850 350 HG21 VAL 43 3HG2 VAL 43 -5.859 7.105 3.902 351 HG22 VAL 43 1HG2 VAL 43 -7.604 7.375 3.950 352 HG23 VAL 43 2HG2 VAL 43 -6.877 6.588 2.550 353 H GLU 44 H GLU 44 -6.103 7.661 6.607 354 HA GLU 44 HA GLU 44 -8.268 8.404 8.257 355 HB2 GLU 44 2HB GLU 44 -5.862 9.785 7.132 356 HB3 GLU 44 1HB GLU 44 -7.068 10.676 8.030 357 HG2 GLU 44 2HG GLU 44 -6.727 9.180 9.948 358 HG3 GLU 44 1HG GLU 44 -5.470 8.347 9.033 359 H ASP 45 H ASP 45 -10.191 8.977 7.596 360 HA ASP 45 HA ASP 45 -10.650 9.984 4.925 361 HB2 ASP 45 2HB ASP 45 -13.051 9.895 5.593 362 HB3 ASP 45 1HB ASP 45 -12.215 8.359 5.786 363 H GLY 46 H GLY 46 -9.090 11.652 6.595 364 HA2 GLY 46 2HA GLY 46 -10.891 13.856 7.282 365 HA3 GLY 46 1HA GLY 46 -9.225 13.693 7.801 366 H GLY 47 H GLY 47 -8.420 13.027 4.945 367 HA2 GLY 47 2HA GLY 47 -9.064 15.201 3.314 368 HA3 GLY 47 1HA GLY 47 -7.660 15.640 4.260 369 HA PRO 48 HA PRO 48 -4.739 13.481 1.751 370 HB2 PRO 48 2HB PRO 48 -4.582 11.185 3.645 371 HB3 PRO 48 1HB PRO 48 -3.282 12.137 2.923 372 HG2 PRO 48 2HG PRO 48 -3.936 12.581 5.407 373 HG3 PRO 48 1HG PRO 48 -3.742 13.980 4.326 374 HD2 PRO 48 2HD PRO 48 -6.267 12.622 5.220 375 HD3 PRO 48 1HD PRO 48 -5.878 14.350 5.168 376 H ALA 49 H ALA 49 -4.404 10.418 2.140 377 HA ALA 49 HA ALA 49 -5.136 9.532 -0.288 378 HB1 ALA 49 1HB ALA 49 -4.105 7.712 0.414 379 HB2 ALA 49 2HB ALA 49 -5.406 7.338 1.551 380 HB3 ALA 49 3HB ALA 49 -4.078 8.392 2.049 381 H SER 50 H SER 50 -7.299 9.416 2.549 382 HA SER 50 HA SER 50 -9.244 7.771 1.345 383 HB2 SER 50 2HB SER 50 -9.043 9.428 3.734 384 HB3 SER 50 1HB SER 50 -10.673 9.341 3.077 385 HG SER 50 HG SER 50 -9.826 6.905 2.969 386 H GLU 51 H GLU 51 -9.413 11.295 1.856 387 HA GLU 51 HA GLU 51 -11.742 11.653 0.311 388 HB2 GLU 51 2HB GLU 51 -9.609 13.678 0.998 389 HB3 GLU 51 1HB GLU 51 -11.232 14.045 0.425 390 HG2 GLU 51 2HG GLU 51 -11.253 12.318 2.753 391 HG3 GLU 51 1HG GLU 51 -10.422 13.839 3.054 392 H ALA 52 H ALA 52 -8.445 11.319 -0.529 393 HA ALA 52 HA ALA 52 -8.512 12.572 -3.080 394 HB1 ALA 52 1HB ALA 52 -6.384 12.310 -2.154 395 HB2 ALA 52 2HB ALA 52 -6.438 11.076 -3.418 396 HB3 ALA 52 3HB ALA 52 -6.678 10.623 -1.728 397 H GLY 53 H GLY 53 -9.524 9.473 -1.874 398 HA2 GLY 53 2HA GLY 53 -11.214 8.537 -3.573 399 HA3 GLY 53 1HA GLY 53 -9.803 8.455 -4.611 400 H LEU 54 H LEU 54 -8.312 7.807 -1.936 401 HA LEU 54 HA LEU 54 -8.272 4.990 -2.358 402 HB2 LEU 54 2HB LEU 54 -6.391 6.513 -1.467 403 HB3 LEU 54 1HB LEU 54 -7.169 6.342 0.085 404 HG LEU 54 HG LEU 54 -6.224 3.992 -1.547 405 HD11 LEU 54 1HD1 LEU 54 -4.323 5.423 -1.012 406 HD12 LEU 54 2HD1 LEU 54 -4.283 3.922 -0.086 407 HD13 LEU 54 3HD1 LEU 54 -4.799 5.422 0.686 408 HD21 LEU 54 3HD2 LEU 54 -6.340 2.862 0.632 409 HD22 LEU 54 1HD2 LEU 54 -7.901 3.466 0.078 410 HD23 LEU 54 2HD2 LEU 54 -7.012 4.336 1.326 411 H ARG 55 H ARG 55 -9.795 3.680 -1.761 412 HA ARG 55 HA ARG 55 -11.413 4.293 0.586 413 HB2 ARG 55 2HB ARG 55 -12.539 2.028 -0.342 414 HB3 ARG 55 1HB ARG 55 -12.984 3.627 -0.908 415 HG2 ARG 55 2HG ARG 55 -12.739 2.421 -2.861 416 HG3 ARG 55 1HG ARG 55 -11.193 3.250 -2.721 417 HD2 ARG 55 2HD ARG 55 -10.686 1.021 -3.314 418 HD3 ARG 55 1HD ARG 55 -10.325 1.159 -1.592 419 HE ARG 55 HE ARG 55 -12.723 0.196 -1.375 420 HH11 ARG 55 1HH1 ARG 55 -10.296 -0.728 -3.742 421 HH12 ARG 55 2HH1 ARG 55 -10.968 -2.316 -3.974 422 HH21 ARG 55 1HH2 ARG 55 -13.581 -1.885 -1.674 423 HH22 ARG 55 2HH2 ARG 55 -12.836 -2.969 -2.805 424 H GLN 56 H GLN 56 -10.977 3.388 2.484 425 HA GLN 56 HA GLN 56 -8.862 1.759 3.064 426 HB2 GLN 56 2HB GLN 56 -10.243 2.974 4.716 427 HB3 GLN 56 1HB GLN 56 -11.475 1.750 4.551 428 HG2 GLN 56 2HG GLN 56 -10.172 0.180 5.552 429 HG3 GLN 56 1HG GLN 56 -8.680 1.048 5.284 430 HE21 GLN 56 1HE2 GLN 56 -10.036 -0.054 7.726 431 HE22 GLN 56 2HE2 GLN 56 -10.065 1.275 8.832 432 H GLY 57 H GLY 57 -8.389 -0.335 3.038 433 HA2 GLY 57 2HA GLY 57 -8.794 -2.644 2.969 434 HA3 GLY 57 1HA GLY 57 -10.490 -2.310 2.638 435 H ASP 58 H ASP 58 -7.353 -1.673 1.121 436 HA ASP 58 HA ASP 58 -8.300 -2.873 -1.372 437 HB2 ASP 58 2HB ASP 58 -8.507 -0.237 -1.243 438 HB3 ASP 58 1HB ASP 58 -6.776 -0.308 -1.557 439 H LEU 59 H LEU 59 -6.561 -3.456 -2.781 440 HA LEU 59 HA LEU 59 -4.092 -4.007 -1.289 441 HB2 LEU 59 2HB LEU 59 -5.013 -6.050 -1.965 442 HB3 LEU 59 1HB LEU 59 -5.528 -5.416 -3.514 443 HG LEU 59 HG LEU 59 -3.061 -5.279 -4.125 444 HD11 LEU 59 1HD1 LEU 59 -2.163 -5.446 -1.861 445 HD12 LEU 59 2HD1 LEU 59 -1.556 -6.742 -2.895 446 HD13 LEU 59 3HD1 LEU 59 -2.826 -7.075 -1.715 447 HD21 LEU 59 3HD2 LEU 59 -4.391 -7.936 -3.620 448 HD22 LEU 59 1HD2 LEU 59 -2.954 -7.716 -4.621 449 HD23 LEU 59 2HD2 LEU 59 -4.478 -6.956 -5.084 450 H ILE 60 H ILE 60 -2.284 -3.015 -1.855 451 HA ILE 60 HA ILE 60 -2.311 -1.198 -4.106 452 HB ILE 60 HB ILE 60 -0.227 -1.720 -1.981 453 HG12 ILE 60 2HG1 ILE 60 -0.803 0.752 -1.506 454 HG13 ILE 60 1HG1 ILE 60 -2.228 0.470 -2.498 455 HG21 ILE 60 1HG2 ILE 60 1.013 0.167 -2.894 456 HG22 ILE 60 2HG2 ILE 60 -0.170 0.329 -4.195 457 HG23 ILE 60 3HG2 ILE 60 0.846 -1.109 -4.102 458 HD11 ILE 60 3HD1 ILE 60 -1.528 -1.044 0.005 459 HD12 ILE 60 1HD1 ILE 60 -2.988 -1.236 -0.965 460 HD13 ILE 60 2HD1 ILE 60 -2.693 0.278 -0.107 461 H THR 61 H THR 61 -1.612 -1.682 -6.045 462 HA THR 61 HA THR 61 -0.006 -4.107 -6.413 463 HB THR 61 HB THR 61 -0.712 -4.052 -8.732 464 HG1 THR 61 1HG THR 61 -0.830 -1.902 -9.240 465 HG21 THR 61 3HG2 THR 61 -3.068 -3.461 -6.934 466 HG22 THR 61 1HG2 THR 61 -2.266 -5.028 -7.075 467 HG23 THR 61 2HG2 THR 61 -3.111 -4.343 -8.463 468 H HIS 62 H HIS 62 -0.027 -0.644 -6.968 469 HA HIS 62 HA HIS 62 2.834 -0.711 -7.558 470 HB2 HIS 62 2HB HIS 62 0.817 0.661 -9.351 471 HB3 HIS 62 1HB HIS 62 2.555 0.846 -9.471 472 HD2 HIS 62 2HD HIS 62 3.918 -1.335 -10.588 473 HE1 HIS 62 1HE HIS 62 0.392 -3.323 -11.825 474 HE2 HIS 62 2HE HIS 62 2.894 -3.124 -12.164 475 H VAL 63 H VAL 63 3.809 1.424 -7.440 476 HA VAL 63 HA VAL 63 2.224 3.529 -6.230 477 HB VAL 63 HB VAL 63 3.046 2.293 -4.304 478 HG11 VAL 63 1HG1 VAL 63 5.002 1.234 -5.283 479 HG12 VAL 63 2HG1 VAL 63 5.422 2.092 -3.801 480 HG13 VAL 63 3HG1 VAL 63 5.815 2.797 -5.369 481 HG21 VAL 63 3HG2 VAL 63 4.511 4.202 -3.321 482 HG22 VAL 63 1HG2 VAL 63 2.841 4.536 -3.784 483 HG23 VAL 63 2HG2 VAL 63 4.163 5.010 -4.850 484 H ASN 64 H ASN 64 2.606 5.244 -7.440 485 HA ASN 64 HA ASN 64 3.626 6.791 -8.765 486 HB2 ASN 64 2HB ASN 64 5.519 6.158 -6.666 487 HB3 ASN 64 1HB ASN 64 6.350 6.616 -8.149 488 HD21 ASN 64 1HD2 ASN 64 7.080 8.542 -7.384 489 HD22 ASN 64 2HD2 ASN 64 6.046 9.880 -7.013 490 H GLY 65 H GLY 65 3.358 4.100 -9.744 491 HA2 GLY 65 2HA GLY 65 3.928 2.940 -11.653 492 HA3 GLY 65 1HA GLY 65 4.977 4.286 -12.070 493 H GLU 66 H GLU 66 4.999 2.129 -9.287 494 HA GLU 66 HA GLU 66 7.476 0.894 -10.121 495 HB2 GLU 66 2HB GLU 66 7.579 3.108 -8.585 496 HB3 GLU 66 1HB GLU 66 7.418 1.884 -7.339 497 HG2 GLU 66 2HG GLU 66 9.760 2.457 -7.807 498 HG3 GLU 66 1HG GLU 66 9.398 0.758 -8.104 499 HA PRO 67 HA PRO 67 4.733 -2.487 -8.779 500 HB2 PRO 67 2HB PRO 67 7.473 -3.652 -9.039 501 HB3 PRO 67 1HB PRO 67 5.924 -4.295 -9.591 502 HG2 PRO 67 2HG PRO 67 7.706 -3.014 -11.220 503 HG3 PRO 67 1HG PRO 67 5.960 -3.081 -11.517 504 HD2 PRO 67 2HD PRO 67 7.581 -0.801 -10.782 505 HD3 PRO 67 1HD PRO 67 5.888 -0.832 -11.260 506 H VAL 68 H VAL 68 4.277 -2.865 -6.793 507 HA VAL 68 HA VAL 68 6.172 -2.332 -4.656 508 HB VAL 68 HB VAL 68 4.284 -2.706 -3.117 509 HG11 VAL 68 1HG1 VAL 68 3.642 -0.812 -5.376 510 HG12 VAL 68 2HG1 VAL 68 4.670 -0.465 -3.986 511 HG13 VAL 68 3HG1 VAL 68 2.947 -0.756 -3.755 512 HG21 VAL 68 3HG2 VAL 68 3.099 -4.389 -4.421 513 HG22 VAL 68 1HG2 VAL 68 2.667 -3.164 -5.615 514 HG23 VAL 68 2HG2 VAL 68 2.033 -3.057 -3.973 515 H HIS 69 H HIS 69 5.172 -4.746 -6.536 516 HA HIS 69 HA HIS 69 4.991 -7.018 -5.016 517 HB2 HIS 69 2HB HIS 69 5.729 -6.298 -7.814 518 HB3 HIS 69 1HB HIS 69 5.882 -7.939 -7.281 519 HD2 HIS 69 2HD HIS 69 2.866 -6.013 -5.902 520 HE1 HIS 69 1HE HIS 69 1.508 -8.582 -8.987 521 HE2 HIS 69 2HE HIS 69 0.820 -7.203 -6.975 522 H GLY 70 H GLY 70 6.520 -7.267 -3.416 523 HA2 GLY 70 2HA GLY 70 8.559 -8.522 -3.010 524 HA3 GLY 70 1HA GLY 70 9.284 -7.683 -4.372 525 H LEU 71 H LEU 71 7.607 -5.319 -2.959 526 HA LEU 71 HA LEU 71 9.941 -4.220 -1.669 527 HB2 LEU 71 2HB LEU 71 7.127 -3.196 -2.014 528 HB3 LEU 71 1HB LEU 71 8.361 -2.313 -1.141 529 HG LEU 71 HG LEU 71 8.292 -2.949 -4.085 530 HD11 LEU 71 1HD1 LEU 71 8.337 -0.535 -4.331 531 HD12 LEU 71 2HD1 LEU 71 8.425 -0.336 -2.581 532 HD13 LEU 71 3HD1 LEU 71 6.976 -1.018 -3.319 533 HD21 LEU 71 3HD2 LEU 71 10.550 -3.276 -3.559 534 HD22 LEU 71 1HD2 LEU 71 10.554 -1.970 -2.374 535 HD23 LEU 71 2HD2 LEU 71 10.456 -1.599 -4.094 536 H VAL 72 H VAL 72 10.322 -4.014 0.491 537 HA VAL 72 HA VAL 72 8.667 -5.555 2.280 538 HB VAL 72 HB VAL 72 11.307 -5.113 2.263 539 HG11 VAL 72 1HG1 VAL 72 12.042 -3.549 3.899 540 HG12 VAL 72 2HG1 VAL 72 10.385 -3.158 4.358 541 HG13 VAL 72 3HG1 VAL 72 10.994 -2.691 2.770 542 HG21 VAL 72 3HG2 VAL 72 9.789 -5.469 4.842 543 HG22 VAL 72 1HG2 VAL 72 11.417 -6.032 4.473 544 HG23 VAL 72 2HG2 VAL 72 10.031 -6.739 3.644 545 H HIS 73 H HIS 73 8.100 -4.498 4.461 546 HA HIS 73 HA HIS 73 6.050 -2.739 4.272 547 HB2 HIS 73 2HB HIS 73 6.909 -4.040 6.322 548 HB3 HIS 73 1HB HIS 73 7.920 -2.647 6.626 549 HD1 HIS 73 1HD HIS 73 4.207 -3.450 6.306 550 HD2 HIS 73 2HD HIS 73 6.762 -0.638 7.976 551 HE1 HIS 73 1HE HIS 73 2.772 -1.959 7.751 552 H THR 74 H THR 74 9.339 -1.830 5.177 553 HA THR 74 HA THR 74 8.752 0.946 5.302 554 HB THR 74 HB THR 74 11.056 1.206 5.878 555 HG1 THR 74 1HG THR 74 12.371 0.071 4.623 556 HG21 THR 74 3HG2 THR 74 9.893 0.206 7.672 557 HG22 THR 74 1HG2 THR 74 11.348 -0.773 7.492 558 HG23 THR 74 2HG2 THR 74 9.805 -1.361 6.855 559 H GLU 75 H GLU 75 9.679 -1.130 2.699 560 HA GLU 75 HA GLU 75 11.026 0.821 1.150 561 HB2 GLU 75 2HB GLU 75 9.907 -1.883 0.627 562 HB3 GLU 75 1HB GLU 75 10.302 -0.847 -0.737 563 HG2 GLU 75 2HG GLU 75 12.582 -0.630 0.033 564 HG3 GLU 75 1HG GLU 75 12.209 -1.589 1.462 565 H VAL 76 H VAL 76 7.615 -0.241 1.244 566 HA VAL 76 HA VAL 76 6.849 1.398 -0.950 567 HB VAL 76 HB VAL 76 4.519 1.247 0.040 568 HG11 VAL 76 1HG1 VAL 76 6.014 -1.276 -0.583 569 HG12 VAL 76 2HG1 VAL 76 5.312 -0.157 -1.753 570 HG13 VAL 76 3HG1 VAL 76 4.264 -1.067 -0.664 571 HG21 VAL 76 3HG2 VAL 76 6.028 0.005 2.199 572 HG22 VAL 76 1HG2 VAL 76 4.673 -0.973 1.629 573 HG23 VAL 76 2HG2 VAL 76 4.389 0.680 2.200 574 H VAL 77 H VAL 77 6.767 1.868 2.539 575 HA VAL 77 HA VAL 77 5.701 4.395 2.715 576 HB VAL 77 HB VAL 77 7.983 3.320 4.347 577 HG11 VAL 77 1HG1 VAL 77 7.239 4.785 6.103 578 HG12 VAL 77 2HG1 VAL 77 5.898 5.340 5.106 579 HG13 VAL 77 3HG1 VAL 77 7.555 5.725 4.645 580 HG21 VAL 77 3HG2 VAL 77 6.417 1.658 4.619 581 HG22 VAL 77 1HG2 VAL 77 5.052 2.762 4.427 582 HG23 VAL 77 2HG2 VAL 77 5.980 2.755 5.927 583 H GLU 78 H GLU 78 9.099 3.479 2.243 584 HA GLU 78 HA GLU 78 10.123 6.084 2.042 585 HB2 GLU 78 2HB GLU 78 11.079 3.400 1.102 586 HB3 GLU 78 1HB GLU 78 11.980 4.865 0.728 587 HG2 GLU 78 2HG GLU 78 12.033 5.350 3.167 588 HG3 GLU 78 1HG GLU 78 11.325 3.758 3.438 589 H LEU 79 H LEU 79 9.038 3.796 -0.448 590 HA LEU 79 HA LEU 79 9.635 5.259 -2.725 591 HB2 LEU 79 2HB LEU 79 8.253 2.930 -2.185 592 HB3 LEU 79 1HB LEU 79 7.000 3.971 -2.831 593 HG LEU 79 HG LEU 79 7.970 2.589 -4.589 594 HD11 LEU 79 1HD1 LEU 79 8.770 5.481 -4.877 595 HD12 LEU 79 2HD1 LEU 79 7.166 4.819 -5.183 596 HD13 LEU 79 3HD1 LEU 79 8.529 4.332 -6.191 597 HD21 LEU 79 3HD2 LEU 79 10.389 3.134 -3.249 598 HD22 LEU 79 1HD2 LEU 79 10.530 3.828 -4.865 599 HD23 LEU 79 2HD2 LEU 79 10.135 2.121 -4.670 600 H ILE 80 H ILE 80 6.868 5.487 -0.556 601 HA ILE 80 HA ILE 80 5.457 7.430 -2.060 602 HB ILE 80 HB ILE 80 5.278 6.428 0.763 603 HG12 ILE 80 2HG1 ILE 80 3.123 6.346 -1.307 604 HG13 ILE 80 1HG1 ILE 80 4.479 5.233 -1.433 605 HG21 ILE 80 1HG2 ILE 80 3.759 8.671 -0.513 606 HG22 ILE 80 2HG2 ILE 80 4.617 8.659 1.027 607 HG23 ILE 80 3HG2 ILE 80 3.119 7.746 0.844 608 HD11 ILE 80 3HD1 ILE 80 2.639 4.185 -0.298 609 HD12 ILE 80 1HD1 ILE 80 2.587 5.494 0.881 610 HD13 ILE 80 2HD1 ILE 80 3.981 4.417 0.824 611 H LEU 81 H LEU 81 7.411 7.678 0.927 612 HA LEU 81 HA LEU 81 7.257 10.447 1.227 613 HB2 LEU 81 2HB LEU 81 9.501 8.582 1.988 614 HB3 LEU 81 1HB LEU 81 9.335 10.231 2.559 615 HG LEU 81 HG LEU 81 7.293 8.077 3.074 616 HD11 LEU 81 1HD1 LEU 81 9.350 7.453 4.166 617 HD12 LEU 81 2HD1 LEU 81 8.209 8.053 5.367 618 HD13 LEU 81 3HD1 LEU 81 9.534 9.078 4.821 619 HD21 LEU 81 3HD2 LEU 81 6.513 9.662 4.792 620 HD22 LEU 81 1HD2 LEU 81 6.383 10.305 3.156 621 HD23 LEU 81 2HD2 LEU 81 7.693 10.835 4.207 622 H LYS 82 H LYS 82 9.469 8.481 -0.655 623 HA LYS 82 HA LYS 82 11.336 10.388 -1.416 624 HB2 LYS 82 2HB LYS 82 11.262 7.853 -1.764 625 HB3 LYS 82 1HB LYS 82 10.396 8.255 -3.218 626 HG2 LYS 82 2HG LYS 82 12.459 9.866 -3.586 627 HG3 LYS 82 1HG LYS 82 13.244 8.656 -2.570 628 HD2 LYS 82 2HD LYS 82 11.663 7.987 -5.046 629 HD3 LYS 82 1HD LYS 82 13.411 8.241 -5.041 630 HE2 LYS 82 2HE LYS 82 13.520 6.440 -3.257 631 HE3 LYS 82 1HE LYS 82 11.836 6.085 -3.652 632 HZ1 LYS 82 3HZ LYS 82 14.150 5.939 -5.509 633 HZ2 LYS 82 1HZ LYS 82 12.538 5.684 -5.957 634 HZ3 LYS 82 2HZ LYS 82 13.290 4.630 -4.872 635 H SER 83 H SER 83 8.226 9.573 -2.793 636 HA SER 83 HA SER 83 8.369 10.945 -5.204 637 HB2 SER 83 2HB SER 83 6.554 9.388 -4.624 638 HB3 SER 83 1HB SER 83 5.930 10.550 -3.455 639 HG SER 83 HG SER 83 5.022 11.618 -5.013 640 H GLY 84 H GLY 84 7.490 12.202 -1.993 641 HA2 GLY 84 2HA GLY 84 8.308 14.560 -1.710 642 HA3 GLY 84 1HA GLY 84 7.465 14.892 -3.212 643 H ASN 85 H ASN 85 5.985 16.347 -2.501 644 HA ASN 85 HA ASN 85 4.530 15.976 -0.063 645 HB2 ASN 85 2HB ASN 85 3.175 17.934 -0.889 646 HB3 ASN 85 1HB ASN 85 4.893 18.220 -0.671 647 HD21 ASN 85 1HD2 ASN 85 4.417 20.066 -2.035 648 HD22 ASN 85 2HD2 ASN 85 4.455 19.864 -3.754 649 H LYS 86 H LYS 86 4.229 14.281 -2.764 650 HA LYS 86 HA LYS 86 1.607 13.402 -2.103 651 HB2 LYS 86 2HB LYS 86 0.768 13.703 -4.433 652 HB3 LYS 86 1HB LYS 86 0.832 15.148 -3.467 653 HG2 LYS 86 2HG LYS 86 2.595 16.030 -4.695 654 HG3 LYS 86 1HG LYS 86 3.054 14.453 -5.340 655 HD2 LYS 86 2HD LYS 86 1.036 14.372 -6.679 656 HD3 LYS 86 1HD LYS 86 0.496 15.904 -5.992 657 HE2 LYS 86 2HE LYS 86 1.422 16.279 -8.179 658 HE3 LYS 86 1HE LYS 86 2.468 17.002 -6.959 659 HZ1 LYS 86 3HZ LYS 86 3.509 15.642 -8.850 660 HZ2 LYS 86 1HZ LYS 86 3.009 14.290 -7.967 661 HZ3 LYS 86 2HZ LYS 86 4.080 15.402 -7.277 662 H VAL 87 H VAL 87 0.898 11.692 -3.734 663 HA VAL 87 HA VAL 87 2.976 10.360 -5.211 664 HB VAL 87 HB VAL 87 3.656 9.844 -2.890 665 HG11 VAL 87 1HG1 VAL 87 2.252 8.099 -1.694 666 HG12 VAL 87 2HG1 VAL 87 0.944 8.559 -2.781 667 HG13 VAL 87 3HG1 VAL 87 1.641 9.752 -1.686 668 HG21 VAL 87 3HG2 VAL 87 2.836 7.612 -4.714 669 HG22 VAL 87 1HG2 VAL 87 3.697 7.309 -3.205 670 HG23 VAL 87 2HG2 VAL 87 4.438 8.306 -4.457 671 H ALA 88 H ALA 88 2.280 8.647 -6.446 672 HA ALA 88 HA ALA 88 -0.627 8.380 -6.743 673 HB1 ALA 88 1HB ALA 88 0.566 8.952 -8.745 674 HB2 ALA 88 2HB ALA 88 -0.066 7.311 -8.896 675 HB3 ALA 88 3HB ALA 88 1.643 7.571 -8.544 676 H ILE 89 H ILE 89 -1.222 6.917 -5.159 677 HA ILE 89 HA ILE 89 0.174 4.361 -5.024 678 HB ILE 89 HB ILE 89 -0.385 5.130 -2.876 679 HG12 ILE 89 2HG1 ILE 89 -2.644 3.234 -3.501 680 HG13 ILE 89 1HG1 ILE 89 -0.964 2.721 -3.394 681 HG21 ILE 89 1HG2 ILE 89 -1.956 6.849 -3.359 682 HG22 ILE 89 2HG2 ILE 89 -2.709 5.737 -2.217 683 HG23 ILE 89 3HG2 ILE 89 -3.148 5.679 -3.923 684 HD11 ILE 89 3HD1 ILE 89 -2.339 2.369 -1.334 685 HD12 ILE 89 1HD1 ILE 89 -2.410 4.123 -1.163 686 HD13 ILE 89 2HD1 ILE 89 -0.855 3.291 -1.096 687 H SER 90 H SER 90 -0.365 2.740 -6.345 688 HA SER 90 HA SER 90 -2.961 2.809 -7.687 689 HB2 SER 90 2HB SER 90 -0.405 2.236 -8.553 690 HB3 SER 90 1HB SER 90 -1.133 0.640 -8.406 691 HG SER 90 HG SER 90 -2.909 2.224 -9.575 692 H THR 91 H THR 91 -4.591 1.781 -6.722 693 HA THR 91 HA THR 91 -4.019 -0.693 -5.242 694 HB THR 91 HB THR 91 -6.183 -0.370 -4.138 695 HG1 THR 91 1HG THR 91 -7.588 1.004 -4.875 696 HG21 THR 91 3HG2 THR 91 -4.367 2.034 -4.036 697 HG22 THR 91 1HG2 THR 91 -4.268 0.579 -3.044 698 HG23 THR 91 2HG2 THR 91 -5.631 1.682 -2.856 699 H THR 92 H THR 92 -6.291 -2.098 -5.283 700 HA THR 92 HA THR 92 -6.782 -2.418 -8.175 701 HB THR 92 HB THR 92 -5.506 -4.288 -7.478 702 HG1 THR 92 1HG THR 92 -8.049 -5.451 -7.343 703 HG21 THR 92 3HG2 THR 92 -7.469 -4.563 -5.211 704 HG22 THR 92 1HG2 THR 92 -5.742 -4.224 -5.106 705 HG23 THR 92 2HG2 THR 92 -6.298 -5.804 -5.655 706 HA PRO 93 HA PRO 93 -10.956 -1.216 -6.921 707 HB2 PRO 93 2HB PRO 93 -11.350 -1.723 -9.816 708 HB3 PRO 93 1HB PRO 93 -11.806 -0.322 -8.843 709 HG2 PRO 93 2HG PRO 93 -9.726 -0.259 -10.540 710 HG3 PRO 93 1HG PRO 93 -9.713 0.635 -9.018 711 HD2 PRO 93 2HD PRO 93 -8.276 -1.824 -9.761 712 HD3 PRO 93 1HD PRO 93 -7.820 -0.551 -8.623 713 H LEU 94 H LEU 94 -13.133 -2.156 -7.526 714 HA LEU 94 HA LEU 94 -13.220 -4.876 -6.816 715 HB2 LEU 94 2HB LEU 94 -15.691 -4.229 -7.938 716 HB3 LEU 94 1HB LEU 94 -15.265 -4.201 -6.253 717 HG LEU 94 HG LEU 94 -14.513 -1.801 -6.614 718 HD11 LEU 94 1HD1 LEU 94 -14.306 -1.529 -8.890 719 HD12 LEU 94 2HD1 LEU 94 -15.888 -0.809 -8.583 720 HD13 LEU 94 3HD1 LEU 94 -15.774 -2.445 -9.232 721 HD21 LEU 94 3HD2 LEU 94 -16.809 -0.953 -6.455 722 HD22 LEU 94 1HD2 LEU 94 -16.565 -2.377 -5.445 723 HD23 LEU 94 2HD2 LEU 94 -17.420 -2.522 -6.981 724 H GLU 95 H GLU 95 -14.359 -6.569 -8.032 725 HA GLU 95 HA GLU 95 -14.513 -6.390 -10.885 726 HB2 GLU 95 2HB GLU 95 -12.810 -7.916 -11.507 727 HB3 GLU 95 1HB GLU 95 -12.044 -6.748 -10.450 728 HG2 GLU 95 2HG GLU 95 -13.083 -9.283 -9.294 729 HG3 GLU 95 1HG GLU 95 -11.570 -9.299 -10.197 730 H ASN 96 H ASN 96 -15.429 -8.298 -11.828 731 HA ASN 96 HA ASN 96 -17.246 -9.611 -10.020 732 HB2 ASN 96 2HB ASN 96 -18.176 -10.673 -12.046 733 HB3 ASN 96 1HB ASN 96 -18.069 -8.927 -12.208 734 HD21 ASN 96 1HD2 ASN 96 -16.983 -8.091 -13.851 735 HD22 ASN 96 2HD2 ASN 96 -16.054 -8.997 -14.993 736 H1 SER 101 1HT SER 101 -4.859 -16.270 0.861 737 H2 SER 101 2HT SER 101 -5.734 -17.018 2.101 738 H3 SER 101 3HT SER 101 -5.213 -17.921 0.769 739 HA SER 101 HA SER 101 -3.883 -18.264 2.804 740 HB2 SER 101 2HB SER 101 -2.209 -17.030 0.631 741 HB3 SER 101 1HB SER 101 -1.887 -18.474 1.593 742 HG SER 101 HG SER 101 -2.572 -19.265 -0.312 743 H TRP 102 H TRP 102 -3.413 -17.236 4.617 744 HA TRP 102 HA TRP 102 -1.682 -15.027 4.763 745 HB2 TRP 102 2HB TRP 102 -3.726 -13.828 3.965 746 HB3 TRP 102 1HB TRP 102 -4.567 -14.373 5.410 747 HD1 TRP 102 HD TRP 102 -1.286 -13.580 6.682 748 HE1 TRP 102 1HE TRP 102 -1.173 -11.189 7.619 749 HE3 TRP 102 3HE TRP 102 -5.531 -11.691 4.572 750 HZ2 TRP 102 2HZ TRP 102 -2.685 -8.811 7.479 751 HZ3 TRP 102 3HZ TRP 102 -6.118 -9.347 5.014 752 HH2 TRP 102 HH TRP 102 -4.728 -7.939 6.438 753 H GLU 103 H GLU 103 -0.601 -15.576 6.519 754 HA GLU 103 HA GLU 103 -1.919 -16.997 8.677 755 HB2 GLU 103 2HB GLU 103 0.975 -16.197 8.294 756 HB3 GLU 103 1HB GLU 103 0.374 -17.170 9.630 757 HG2 GLU 103 2HG GLU 103 -0.452 -18.812 7.912 758 HG3 GLU 103 1HG GLU 103 0.455 -17.886 6.718 759 H SER 104 H SER 104 0.607 -14.590 9.106 760 HA SER 104 HA SER 104 -1.240 -12.836 10.546 761 HB2 SER 104 2HB SER 104 1.446 -13.606 11.696 762 HB3 SER 104 1HB SER 104 0.144 -12.719 12.484 763 HG SER 104 HG SER 104 -0.720 -15.132 11.607 764 H HIS 105 H HIS 105 0.761 -11.051 11.484 765 HA HIS 105 HA HIS 105 1.867 -10.107 8.925 766 HB2 HIS 105 2HB HIS 105 0.144 -8.588 9.691 767 HB3 HIS 105 1HB HIS 105 0.875 -8.498 11.288 768 HD2 HIS 105 2HD HIS 105 1.134 -5.721 10.944 769 HE1 HIS 105 1HE HIS 105 4.210 -6.065 8.063 770 HE2 HIS 105 2HE HIS 105 3.174 -4.568 9.823 771 H LYS 106 H LYS 106 3.879 -10.934 9.018 772 HA LYS 106 HA LYS 106 5.612 -9.878 11.145 773 HB2 LYS 106 2HB LYS 106 5.602 -12.678 10.015 774 HB3 LYS 106 1HB LYS 106 6.966 -12.011 10.904 775 HG2 LYS 106 2HG LYS 106 5.341 -11.574 12.794 776 HG3 LYS 106 1HG LYS 106 4.193 -12.578 11.905 777 HD2 LYS 106 2HD LYS 106 5.761 -14.443 11.969 778 HD3 LYS 106 1HD LYS 106 6.940 -13.437 12.818 779 HE2 LYS 106 2HE LYS 106 5.803 -14.838 14.414 780 HE3 LYS 106 1HE LYS 106 5.306 -13.169 14.663 781 HZ1 LYS 106 3HZ LYS 106 3.435 -14.698 14.757 782 HZ2 LYS 106 1HZ LYS 106 3.753 -15.214 13.178 783 HZ3 LYS 106 2HZ LYS 106 3.272 -13.619 13.466 784 H SER 107 H SER 107 4.862 -9.115 8.394 785 HA SER 107 HA SER 107 7.305 -9.492 6.864 786 HB2 SER 107 2HB SER 107 5.318 -7.652 5.763 787 HB3 SER 107 1HB SER 107 5.997 -9.124 5.067 788 HG SER 107 HG SER 107 3.605 -8.745 6.293 789 H GLY 108 H GLY 108 6.544 -7.587 9.330 790 HA2 GLY 108 2HA GLY 108 8.554 -5.866 9.403 791 HA3 GLY 108 1HA GLY 108 7.490 -5.049 8.266 792 H GLY 109 H GLY 109 7.599 -3.383 10.003 793 HA2 GLY 109 2HA GLY 109 6.079 -3.960 12.406 794 HA3 GLY 109 1HA GLY 109 6.846 -2.433 11.994 795 H GLU 110 H GLU 110 5.123 -1.106 12.362 796 HA GLU 110 HA GLU 110 2.868 -1.403 10.492 797 HB2 GLU 110 2HB GLU 110 2.721 -0.631 13.418 798 HB3 GLU 110 1HB GLU 110 1.378 -0.507 12.289 799 HG2 GLU 110 2HG GLU 110 1.242 -2.844 12.040 800 HG3 GLU 110 1HG GLU 110 2.800 -3.095 12.822 801 H THR 111 H THR 111 5.169 0.095 10.072 802 HA THR 111 HA THR 111 4.856 2.828 10.804 803 HB THR 111 HB THR 111 6.415 1.751 8.451 804 HG1 THR 111 1HG THR 111 6.950 1.701 11.227 805 HG21 THR 111 3HG2 THR 111 7.848 3.688 8.836 806 HG22 THR 111 1HG2 THR 111 6.853 4.170 10.212 807 HG23 THR 111 2HG2 THR 111 6.179 4.201 8.582 808 H ARG 112 H ARG 112 3.034 3.817 10.204 809 HA ARG 112 HA ARG 112 1.915 3.312 7.557 810 HB2 ARG 112 2HB ARG 112 -0.025 4.648 8.439 811 HB3 ARG 112 1HB ARG 112 0.307 3.149 9.299 812 HG2 ARG 112 2HG ARG 112 0.902 4.215 11.202 813 HG3 ARG 112 1HG ARG 112 1.599 5.590 10.345 814 HD2 ARG 112 2HD ARG 112 -1.359 5.056 10.545 815 HD3 ARG 112 1HD ARG 112 -0.473 6.111 11.649 816 HE ARG 112 HE ARG 112 0.114 7.010 9.099 817 HH11 ARG 112 1HH1 ARG 112 -2.765 6.612 11.056 818 HH12 ARG 112 2HH1 ARG 112 -3.587 7.952 10.329 819 HH21 ARG 112 1HH2 ARG 112 -0.967 8.749 8.135 820 HH22 ARG 112 2HH2 ARG 112 -2.576 9.178 8.678 821 H LEU 113 H LEU 113 0.920 5.213 6.460 822 HA LEU 113 HA LEU 113 2.915 7.335 6.239 823 HB2 LEU 113 2HB LEU 113 0.695 6.356 4.449 824 HB3 LEU 113 1HB LEU 113 1.518 7.868 4.150 825 HG LEU 113 HG LEU 113 2.507 6.274 2.706 826 HD11 LEU 113 1HD1 LEU 113 4.805 6.170 3.428 827 HD12 LEU 113 2HD1 LEU 113 4.323 6.530 5.085 828 HD13 LEU 113 3HD1 LEU 113 4.103 7.741 3.820 829 HD21 LEU 113 3HD2 LEU 113 3.395 4.137 3.439 830 HD22 LEU 113 1HD2 LEU 113 1.674 4.258 3.805 831 HD23 LEU 113 2HD2 LEU 113 2.866 4.465 5.089
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