NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19091 | 2edd | 11097 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -6.729 -1.861 36.683 2 HA2 GLY 1 1HA GLY 1 -8.064 -2.420 34.670 3 HA3 GLY 1 2HA GLY 1 -6.391 -2.084 34.249 4 H SER 2 H SER 2 -6.314 -3.385 32.450 5 HA SER 2 HA SER 2 -6.762 -6.262 32.888 6 HB2 SER 2 1HB SER 2 -8.013 -4.925 31.033 7 HB3 SER 2 2HB SER 2 -6.479 -5.018 30.168 8 HG SER 2 HG SER 2 -6.718 -7.129 29.928 9 H SER 3 H SER 3 -5.335 -7.586 31.250 10 HA SER 3 HA SER 3 -2.596 -7.001 31.976 11 HB2 SER 3 1HB SER 3 -3.982 -9.341 30.690 12 HB3 SER 3 2HB SER 3 -2.222 -9.224 30.689 13 HG SER 3 HG SER 3 -3.971 -9.382 32.906 14 H GLY 4 H GLY 4 -3.441 -5.028 30.318 15 HA2 GLY 4 1HA GLY 4 -2.794 -3.878 28.439 16 HA3 GLY 4 2HA GLY 4 -1.511 -5.066 28.265 17 H SER 5 H SER 5 -3.525 -3.702 26.391 18 HA SER 5 HA SER 5 -3.835 -5.924 24.634 19 HB2 SER 5 1HB SER 5 -5.738 -6.460 26.022 20 HB3 SER 5 2HB SER 5 -6.319 -4.797 25.944 21 HG SER 5 HG SER 5 -6.009 -5.687 23.460 22 H SER 6 H SER 6 -3.831 -5.216 22.590 23 HA SER 6 HA SER 6 -3.621 -3.744 20.858 24 HB2 SER 6 1HB SER 6 -6.082 -3.900 21.037 25 HB3 SER 6 2HB SER 6 -6.079 -2.532 22.149 26 HG SER 6 HG SER 6 -6.217 -2.431 19.548 27 H GLY 7 H GLY 7 -1.890 -3.108 22.876 28 HA2 GLY 7 1HA GLY 7 -2.024 -0.157 22.973 29 HA3 GLY 7 2HA GLY 7 -1.279 -1.139 24.225 30 H PHE 8 H PHE 8 -1.018 -0.291 20.791 31 HA PHE 8 HA PHE 8 1.869 -0.140 21.077 32 HB2 PHE 8 1HB PHE 8 0.499 -2.044 19.177 33 HB3 PHE 8 2HB PHE 8 2.166 -1.520 18.965 34 HD1 PHE 8 2HD PHE 8 3.654 -1.795 21.152 35 HD2 PHE 8 1HD PHE 8 0.130 -4.016 20.280 36 HE1 PHE 8 2HE PHE 8 4.408 -3.579 22.669 37 HE2 PHE 8 1HE PHE 8 0.877 -5.803 21.797 38 HZ PHE 8 HZ PHE 8 3.019 -5.587 22.993 39 HA PRO 9 HA PRO 9 1.066 3.353 18.488 40 HB2 PRO 9 1HB PRO 9 3.651 3.997 17.964 41 HB3 PRO 9 2HB PRO 9 2.875 4.325 19.518 42 HG2 PRO 9 1HG PRO 9 4.691 2.074 18.745 43 HG3 PRO 9 2HG PRO 9 4.682 3.045 20.228 44 HD2 PRO 9 1HD PRO 9 3.600 0.566 20.103 45 HD3 PRO 9 2HD PRO 9 2.951 1.839 21.157 46 H THR 10 H THR 10 0.651 3.561 16.373 47 HA THR 10 HA THR 10 1.779 1.578 14.538 48 HB THR 10 HB THR 10 -0.526 3.490 14.111 49 HG1 THR 10 1HG THR 10 -1.269 2.000 15.523 50 HG21 THR 10 3HG2 THR 10 0.872 1.550 12.375 51 HG22 THR 10 1HG2 THR 10 -0.028 3.006 11.952 52 HG23 THR 10 2HG2 THR 10 -0.890 1.512 12.320 53 H SER 11 H SER 11 0.905 5.035 14.341 54 HA SER 11 HA SER 11 3.448 5.538 12.969 55 HB2 SER 11 1HB SER 11 1.764 5.262 11.207 56 HB3 SER 11 2HB SER 11 0.745 6.479 11.976 57 HG SER 11 HG SER 11 2.342 7.039 10.152 58 H VAL 12 H VAL 12 4.427 7.389 13.559 59 HA VAL 12 HA VAL 12 3.846 8.741 15.856 60 HB VAL 12 HB VAL 12 5.103 10.727 14.683 61 HG11 VAL 12 1HG1 VAL 12 5.871 8.517 16.141 62 HG12 VAL 12 2HG1 VAL 12 6.946 8.478 14.743 63 HG13 VAL 12 3HG1 VAL 12 6.879 9.914 15.765 64 HG21 VAL 12 3HG2 VAL 12 4.606 9.372 12.438 65 HG22 VAL 12 1HG2 VAL 12 6.037 10.382 12.643 66 HG23 VAL 12 2HG2 VAL 12 6.150 8.636 12.865 67 HA PRO 13 HA PRO 13 0.127 10.934 14.678 68 HB2 PRO 13 1HB PRO 13 -0.332 11.982 17.140 69 HB3 PRO 13 2HB PRO 13 -0.718 10.309 16.721 70 HG2 PRO 13 1HG PRO 13 1.658 11.397 18.182 71 HG3 PRO 13 2HG PRO 13 0.685 9.958 18.542 72 HD2 PRO 13 1HD PRO 13 3.082 9.820 17.290 73 HD3 PRO 13 2HD PRO 13 1.764 8.678 16.958 74 H ASP 14 H ASP 14 -0.555 13.160 14.610 75 HA ASP 14 HA ASP 14 -0.228 15.371 14.186 76 HB2 ASP 14 1HB ASP 14 0.202 15.393 16.640 77 HB3 ASP 14 2HB ASP 14 1.917 15.169 16.309 78 H LEU 15 H LEU 15 0.874 13.895 12.290 79 HA LEU 15 HA LEU 15 3.587 13.977 11.810 80 HB2 LEU 15 1HB LEU 15 1.305 14.259 9.864 81 HB3 LEU 15 2HB LEU 15 2.980 13.985 9.389 82 HG LEU 15 HG LEU 15 1.571 12.061 11.206 83 HD11 LEU 15 1HD1 LEU 15 0.046 11.903 9.518 84 HD12 LEU 15 2HD1 LEU 15 1.279 10.802 8.907 85 HD13 LEU 15 3HD1 LEU 15 1.183 12.449 8.285 86 HD21 LEU 15 3HD2 LEU 15 4.095 12.214 9.749 87 HD22 LEU 15 1HD2 LEU 15 3.228 10.698 9.501 88 HD23 LEU 15 2HD2 LEU 15 3.641 11.220 11.135 89 H SER 16 H SER 16 4.949 15.628 11.812 90 HA SER 16 HA SER 16 3.967 18.289 11.053 91 HB2 SER 16 1HB SER 16 5.220 17.704 13.301 92 HB3 SER 16 2HB SER 16 6.657 17.854 12.290 93 HG SER 16 HG SER 16 6.418 19.900 12.752 94 H THR 17 H THR 17 4.152 17.107 8.815 95 HA THR 17 HA THR 17 6.835 17.667 7.727 96 HB THR 17 HB THR 17 6.288 16.062 5.906 97 HG1 THR 17 1HG THR 17 3.922 16.240 6.392 98 HG21 THR 17 3HG2 THR 17 5.947 14.195 8.037 99 HG22 THR 17 1HG2 THR 17 6.999 15.498 8.590 100 HG23 THR 17 2HG2 THR 17 7.413 14.587 7.138 101 HA PRO 18 HA PRO 18 5.053 20.756 5.154 102 HB2 PRO 18 1HB PRO 18 6.780 20.684 3.061 103 HB3 PRO 18 2HB PRO 18 7.206 21.368 4.634 104 HG2 PRO 18 1HG PRO 18 7.841 18.668 3.508 105 HG3 PRO 18 2HG PRO 18 8.887 19.776 4.416 106 HD2 PRO 18 1HD PRO 18 7.683 17.638 5.564 107 HD3 PRO 18 2HD PRO 18 8.003 19.144 6.449 108 H MET 19 H MET 19 4.784 17.548 4.537 109 HA MET 19 HA MET 19 3.207 18.038 2.103 110 HB2 MET 19 1HB MET 19 5.145 15.800 2.650 111 HB3 MET 19 2HB MET 19 3.863 15.642 1.456 112 HG2 MET 19 1HG MET 19 6.027 17.734 1.441 113 HG3 MET 19 2HG MET 19 5.987 16.282 0.444 114 HE1 MET 19 3HE MET 19 2.695 16.784 -1.492 115 HE2 MET 19 1HE MET 19 4.291 16.371 -2.120 116 HE3 MET 19 2HE MET 19 3.727 15.658 -0.609 117 H LEU 20 H LEU 20 1.652 16.161 1.696 118 HA LEU 20 HA LEU 20 0.720 14.917 4.174 119 HB2 LEU 20 1HB LEU 20 -0.427 17.186 3.562 120 HB3 LEU 20 2HB LEU 20 -1.285 16.205 2.375 121 HG LEU 20 HG LEU 20 -2.614 16.502 4.388 122 HD11 LEU 20 1HD1 LEU 20 -1.561 13.714 3.960 123 HD12 LEU 20 2HD1 LEU 20 -2.969 14.459 3.206 124 HD13 LEU 20 3HD1 LEU 20 -2.983 14.096 4.931 125 HD21 LEU 20 3HD2 LEU 20 -0.623 16.752 5.907 126 HD22 LEU 20 1HD2 LEU 20 -0.477 14.995 5.879 127 HD23 LEU 20 2HD2 LEU 20 -1.932 15.748 6.532 128 HA PRO 21 HA PRO 21 0.612 11.701 1.014 129 HB2 PRO 21 1HB PRO 21 0.462 9.656 2.793 130 HB3 PRO 21 2HB PRO 21 1.980 10.464 2.384 131 HG2 PRO 21 1HG PRO 21 0.195 10.871 4.753 132 HG3 PRO 21 2HG PRO 21 1.964 10.772 4.689 133 HD2 PRO 21 1HD PRO 21 0.642 13.129 4.855 134 HD3 PRO 21 2HD PRO 21 2.187 12.960 3.998 135 HA PRO 22 HA PRO 22 -3.651 10.659 0.743 136 HB2 PRO 22 1HB PRO 22 -3.608 8.067 -0.063 137 HB3 PRO 22 2HB PRO 22 -3.149 9.409 -1.119 138 HG2 PRO 22 1HG PRO 22 -1.403 7.545 0.443 139 HG3 PRO 22 2HG PRO 22 -1.208 8.133 -1.219 140 HD2 PRO 22 1HD PRO 22 0.168 9.177 0.866 141 HD3 PRO 22 2HD PRO 22 -0.323 10.148 -0.536 142 H VAL 23 H VAL 23 -5.265 8.789 1.332 143 HA VAL 23 HA VAL 23 -4.565 7.492 3.853 144 HB VAL 23 HB VAL 23 -6.422 8.359 5.077 145 HG11 VAL 23 1HG1 VAL 23 -5.772 10.613 5.388 146 HG12 VAL 23 2HG1 VAL 23 -4.321 9.750 4.874 147 HG13 VAL 23 3HG1 VAL 23 -5.204 10.755 3.724 148 HG21 VAL 23 3HG2 VAL 23 -7.197 9.719 2.503 149 HG22 VAL 23 1HG2 VAL 23 -8.106 8.502 3.400 150 HG23 VAL 23 2HG2 VAL 23 -7.901 10.121 4.070 151 H GLY 24 H GLY 24 -6.773 6.354 4.654 152 HA2 GLY 24 1HA GLY 24 -8.035 4.471 4.227 153 HA3 GLY 24 2HA GLY 24 -8.754 5.495 2.992 154 H VAL 25 H VAL 25 -5.442 4.265 3.090 155 HA VAL 25 HA VAL 25 -5.512 3.425 0.391 156 HB VAL 25 HB VAL 25 -3.559 2.556 2.525 157 HG11 VAL 25 1HG1 VAL 25 -3.726 2.201 -0.393 158 HG12 VAL 25 2HG1 VAL 25 -2.149 2.690 0.229 159 HG13 VAL 25 3HG1 VAL 25 -2.917 1.219 0.827 160 HG21 VAL 25 3HG2 VAL 25 -2.259 4.455 2.073 161 HG22 VAL 25 1HG2 VAL 25 -3.176 4.842 0.617 162 HG23 VAL 25 2HG2 VAL 25 -3.906 5.070 2.206 163 H GLN 26 H GLN 26 -6.619 1.753 -0.368 164 HA GLN 26 HA GLN 26 -6.870 -0.651 1.314 165 HB2 GLN 26 1HB GLN 26 -9.042 0.240 0.939 166 HB3 GLN 26 2HB GLN 26 -8.715 0.510 -0.768 167 HG2 GLN 26 1HG GLN 26 -10.143 -1.367 -0.617 168 HG3 GLN 26 2HG GLN 26 -8.541 -1.968 -1.039 169 HE21 GLN 26 1HE2 GLN 26 -10.098 -3.828 -0.139 170 HE22 GLN 26 2HE2 GLN 26 -9.773 -4.243 1.507 171 H ALA 27 H ALA 27 -6.527 -2.675 0.401 172 HA ALA 27 HA ALA 27 -5.242 -2.657 -2.253 173 HB1 ALA 27 3HB ALA 27 -3.554 -3.019 -0.592 174 HB2 ALA 27 1HB ALA 27 -4.517 -4.277 0.183 175 HB3 ALA 27 2HB ALA 27 -3.845 -4.545 -1.426 176 H VAL 28 H VAL 28 -6.824 -3.421 -3.551 177 HA VAL 28 HA VAL 28 -8.398 -5.732 -2.706 178 HB VAL 28 HB VAL 28 -8.657 -4.142 -5.259 179 HG11 VAL 28 1HG1 VAL 28 -9.926 -6.518 -4.238 180 HG12 VAL 28 2HG1 VAL 28 -11.109 -5.233 -4.489 181 HG13 VAL 28 3HG1 VAL 28 -10.078 -5.757 -5.821 182 HG21 VAL 28 3HG2 VAL 28 -9.076 -3.143 -2.750 183 HG22 VAL 28 1HG2 VAL 28 -9.869 -2.570 -4.217 184 HG23 VAL 28 2HG2 VAL 28 -10.677 -3.745 -3.180 185 H ALA 29 H ALA 29 -8.223 -7.727 -3.576 186 HA ALA 29 HA ALA 29 -5.992 -8.176 -5.420 187 HB1 ALA 29 3HB ALA 29 -6.060 -10.485 -4.706 188 HB2 ALA 29 1HB ALA 29 -6.019 -9.425 -3.296 189 HB3 ALA 29 2HB ALA 29 -7.534 -10.186 -3.785 190 H LEU 30 H LEU 30 -6.469 -8.307 -7.507 191 HA LEU 30 HA LEU 30 -9.146 -8.912 -8.402 192 HB2 LEU 30 1HB LEU 30 -6.728 -8.599 -10.152 193 HB3 LEU 30 2HB LEU 30 -8.418 -8.304 -10.555 194 HG LEU 30 HG LEU 30 -7.032 -6.619 -8.503 195 HD11 LEU 30 1HD1 LEU 30 -5.526 -6.399 -10.291 196 HD12 LEU 30 2HD1 LEU 30 -6.612 -5.017 -10.429 197 HD13 LEU 30 3HD1 LEU 30 -6.818 -6.409 -11.491 198 HD21 LEU 30 3HD2 LEU 30 -9.590 -6.694 -9.144 199 HD22 LEU 30 1HD2 LEU 30 -9.048 -5.661 -10.467 200 HD23 LEU 30 2HD2 LEU 30 -8.774 -5.169 -8.796 201 H THR 31 H THR 31 -5.923 -10.340 -8.931 202 HA THR 31 HA THR 31 -7.160 -12.981 -9.073 203 HB THR 31 HB THR 31 -6.869 -11.927 -11.428 204 HG1 THR 31 1HG THR 31 -6.255 -14.037 -12.211 205 HG21 THR 31 3HG2 THR 31 -4.256 -11.646 -10.533 206 HG22 THR 31 1HG2 THR 31 -4.816 -11.489 -12.198 207 HG23 THR 31 2HG2 THR 31 -4.193 -13.034 -11.620 208 H HIS 32 H HIS 32 -5.287 -14.669 -9.410 209 HA HIS 32 HA HIS 32 -3.728 -14.750 -7.168 210 HB2 HIS 32 1HB HIS 32 -2.279 -16.379 -8.419 211 HB3 HIS 32 2HB HIS 32 -4.004 -16.724 -8.502 212 HD1 HIS 32 1HD HIS 32 -5.195 -16.158 -10.803 213 HD2 HIS 32 2HD HIS 32 -1.045 -15.964 -10.840 214 HE1 HIS 32 1HE HIS 32 -4.543 -16.164 -13.232 215 HE2 HIS 32 2HE HIS 32 -2.025 -16.133 -13.228 216 H ASP 33 H ASP 33 -2.867 -13.387 -10.315 217 HA ASP 33 HA ASP 33 -0.475 -12.204 -9.061 218 HB2 ASP 33 1HB ASP 33 -0.930 -13.167 -11.882 219 HB3 ASP 33 2HB ASP 33 0.387 -12.074 -11.466 220 H ALA 34 H ALA 34 -2.978 -10.988 -8.839 221 HA ALA 34 HA ALA 34 -2.421 -8.463 -10.152 222 HB1 ALA 34 3HB ALA 34 -5.091 -9.807 -10.550 223 HB2 ALA 34 1HB ALA 34 -4.615 -8.213 -11.137 224 HB3 ALA 34 2HB ALA 34 -3.835 -9.659 -11.779 225 H VAL 35 H VAL 35 -2.871 -6.803 -8.839 226 HA VAL 35 HA VAL 35 -4.906 -7.100 -6.761 227 HB VAL 35 HB VAL 35 -1.990 -6.626 -6.256 228 HG11 VAL 35 1HG1 VAL 35 -2.678 -5.854 -3.951 229 HG12 VAL 35 2HG1 VAL 35 -2.924 -4.693 -5.257 230 HG13 VAL 35 3HG1 VAL 35 -4.292 -5.601 -4.612 231 HG21 VAL 35 3HG2 VAL 35 -3.267 -8.002 -4.164 232 HG22 VAL 35 1HG2 VAL 35 -3.924 -8.656 -5.665 233 HG23 VAL 35 2HG2 VAL 35 -2.182 -8.663 -5.388 234 H ARG 36 H ARG 36 -6.214 -5.427 -7.055 235 HA ARG 36 HA ARG 36 -5.231 -2.960 -8.222 236 HB2 ARG 36 1HB ARG 36 -7.328 -3.751 -9.065 237 HB3 ARG 36 2HB ARG 36 -7.988 -3.906 -7.442 238 HG2 ARG 36 1HG ARG 36 -8.943 -1.970 -8.430 239 HG3 ARG 36 2HG ARG 36 -7.790 -1.428 -7.209 240 HD2 ARG 36 1HD ARG 36 -7.181 -0.055 -8.922 241 HD3 ARG 36 2HD ARG 36 -6.148 -1.437 -9.285 242 HE ARG 36 HE ARG 36 -7.403 -1.853 -11.167 243 HH11 ARG 36 1HH1 ARG 36 -9.019 0.494 -9.167 244 HH12 ARG 36 2HH1 ARG 36 -10.200 0.898 -10.369 245 HH21 ARG 36 1HH2 ARG 36 -8.952 -1.329 -12.758 246 HH22 ARG 36 2HH2 ARG 36 -10.161 -0.140 -12.411 247 H VAL 37 H VAL 37 -4.217 -1.606 -6.883 248 HA VAL 37 HA VAL 37 -5.118 -1.341 -4.117 249 HB VAL 37 HB VAL 37 -2.722 -0.087 -5.464 250 HG11 VAL 37 1HG1 VAL 37 -2.061 0.722 -3.417 251 HG12 VAL 37 2HG1 VAL 37 -3.813 0.890 -3.291 252 HG13 VAL 37 3HG1 VAL 37 -2.999 -0.472 -2.520 253 HG21 VAL 37 3HG2 VAL 37 -1.918 -2.012 -3.589 254 HG22 VAL 37 1HG2 VAL 37 -3.184 -2.770 -4.554 255 HG23 VAL 37 2HG2 VAL 37 -1.763 -2.089 -5.344 256 H SER 38 H SER 38 -6.802 0.002 -3.905 257 HA SER 38 HA SER 38 -6.723 2.570 -5.345 258 HB2 SER 38 1HB SER 38 -9.098 2.627 -5.300 259 HB3 SER 38 2HB SER 38 -8.675 0.977 -5.758 260 HG SER 38 HG SER 38 -9.604 1.937 -3.270 261 H TRP 39 H TRP 39 -6.977 4.473 -4.239 262 HA TRP 39 HA TRP 39 -7.413 4.369 -1.350 263 HB2 TRP 39 1HB TRP 39 -5.473 5.851 -0.941 264 HB3 TRP 39 2HB TRP 39 -4.994 4.280 -1.577 265 HD1 TRP 39 HD TRP 39 -4.976 7.981 -2.423 266 HE1 TRP 39 1HE TRP 39 -3.563 8.352 -4.542 267 HE3 TRP 39 3HE TRP 39 -4.277 3.106 -3.795 268 HZ2 TRP 39 2HZ TRP 39 -2.318 6.785 -6.532 269 HZ3 TRP 39 3HZ TRP 39 -2.964 2.628 -5.820 270 HH2 TRP 39 HH TRP 39 -2.006 4.430 -7.159 271 H ALA 40 H ALA 40 -7.218 6.847 -0.559 272 HA ALA 40 HA ALA 40 -8.865 8.417 -2.435 273 HB1 ALA 40 3HB ALA 40 -9.343 7.651 0.314 274 HB2 ALA 40 1HB ALA 40 -9.406 9.401 0.101 275 HB3 ALA 40 2HB ALA 40 -10.444 8.356 -0.869 276 H ASP 41 H ASP 41 -8.708 10.762 -2.195 277 HA ASP 41 HA ASP 41 -5.965 11.557 -1.512 278 HB2 ASP 41 1HB ASP 41 -6.352 13.495 -2.974 279 HB3 ASP 41 2HB ASP 41 -6.639 11.981 -3.827 280 H ASN 42 H ASN 42 -5.615 12.733 0.245 281 HA ASN 42 HA ASN 42 -7.896 13.937 1.621 282 HB2 ASN 42 1HB ASN 42 -6.006 12.399 2.663 283 HB3 ASN 42 2HB ASN 42 -5.146 13.931 2.786 284 HD21 ASN 42 1HD2 ASN 42 -8.018 12.179 3.751 285 HD22 ASN 42 2HD2 ASN 42 -8.373 13.145 5.138 286 H SER 43 H SER 43 -4.547 14.827 0.774 287 HA SER 43 HA SER 43 -4.467 17.441 1.459 288 HB2 SER 43 1HB SER 43 -2.756 15.959 0.135 289 HB3 SER 43 2HB SER 43 -3.488 16.713 -1.281 290 HG SER 43 HG SER 43 -2.490 18.503 -0.820 291 H VAL 44 H VAL 44 -6.150 16.079 -1.314 292 HA VAL 44 HA VAL 44 -7.144 18.751 -2.024 293 HB VAL 44 HB VAL 44 -7.335 16.189 -3.613 294 HG11 VAL 44 1HG1 VAL 44 -8.150 19.024 -4.166 295 HG12 VAL 44 2HG1 VAL 44 -7.824 17.881 -5.471 296 HG13 VAL 44 3HG1 VAL 44 -9.108 17.551 -4.307 297 HG21 VAL 44 3HG2 VAL 44 -5.711 17.780 -5.057 298 HG22 VAL 44 1HG2 VAL 44 -5.261 18.277 -3.425 299 HG23 VAL 44 2HG2 VAL 44 -5.128 16.583 -3.899 300 HA PRO 45 HA PRO 45 -10.875 17.427 0.098 301 HB2 PRO 45 1HB PRO 45 -12.099 19.845 -0.058 302 HB3 PRO 45 2HB PRO 45 -10.854 19.475 1.140 303 HG2 PRO 45 1HG PRO 45 -10.606 20.941 -1.458 304 HG3 PRO 45 2HG PRO 45 -9.894 21.331 0.119 305 HD2 PRO 45 1HD PRO 45 -8.489 20.125 -1.857 306 HD3 PRO 45 2HD PRO 45 -8.183 19.808 -0.137 307 H LYS 46 H LYS 46 -13.316 18.130 -0.474 308 HA LYS 46 HA LYS 46 -14.110 16.762 -2.692 309 HB2 LYS 46 1HB LYS 46 -16.214 18.172 -2.603 310 HB3 LYS 46 2HB LYS 46 -15.759 17.373 -1.104 311 HG2 LYS 46 1HG LYS 46 -14.555 19.650 -0.619 312 HG3 LYS 46 2HG LYS 46 -15.710 20.264 -1.804 313 HD2 LYS 46 1HD LYS 46 -16.570 18.583 0.533 314 HD3 LYS 46 2HD LYS 46 -16.396 20.335 0.657 315 HE2 LYS 46 1HE LYS 46 -18.642 20.069 0.135 316 HE3 LYS 46 2HE LYS 46 -17.910 20.401 -1.434 317 HZ1 LYS 46 3HZ LYS 46 -19.039 17.905 -0.401 318 HZ2 LYS 46 1HZ LYS 46 -17.743 17.799 -1.482 319 HZ3 LYS 46 2HZ LYS 46 -19.165 18.590 -1.943 320 H ASN 47 H ASN 47 -13.918 20.325 -2.544 321 HA ASN 47 HA ASN 47 -13.420 20.311 -5.449 322 HB2 ASN 47 1HB ASN 47 -15.187 22.059 -3.777 323 HB3 ASN 47 2HB ASN 47 -14.453 22.720 -5.235 324 HD21 ASN 47 1HD2 ASN 47 -14.616 21.018 -7.125 325 HD22 ASN 47 2HD2 ASN 47 -16.214 20.417 -7.387 326 H GLN 48 H GLN 48 -11.567 21.202 -6.080 327 HA GLN 48 HA GLN 48 -10.416 23.504 -4.920 328 HB2 GLN 48 1HB GLN 48 -9.891 21.860 -3.125 329 HB3 GLN 48 2HB GLN 48 -8.976 20.921 -4.297 330 HG2 GLN 48 1HG GLN 48 -8.336 23.793 -3.727 331 HG3 GLN 48 2HG GLN 48 -7.684 22.477 -2.752 332 HE21 GLN 48 1HE2 GLN 48 -7.024 20.576 -4.455 333 HE22 GLN 48 2HE2 GLN 48 -5.867 21.124 -5.615 334 H LYS 49 H LYS 49 -8.948 24.400 -6.278 335 HA LYS 49 HA LYS 49 -7.852 22.720 -8.427 336 HB2 LYS 49 1HB LYS 49 -9.349 25.315 -8.685 337 HB3 LYS 49 2HB LYS 49 -8.200 24.803 -9.915 338 HG2 LYS 49 1HG LYS 49 -10.304 22.882 -9.074 339 HG3 LYS 49 2HG LYS 49 -10.766 24.244 -10.097 340 HD2 LYS 49 1HD LYS 49 -9.309 23.571 -11.825 341 HD3 LYS 49 2HD LYS 49 -8.452 22.445 -10.769 342 HE2 LYS 49 1HE LYS 49 -9.833 21.107 -12.128 343 HE3 LYS 49 2HE LYS 49 -10.650 21.191 -10.568 344 HZ1 LYS 49 3HZ LYS 49 -12.228 22.680 -11.403 345 HZ2 LYS 49 1HZ LYS 49 -12.061 21.522 -12.624 346 HZ3 LYS 49 2HZ LYS 49 -11.318 23.032 -12.785 347 H THR 50 H THR 50 -5.725 22.746 -8.110 348 HA THR 50 HA THR 50 -4.445 25.314 -7.429 349 HB THR 50 HB THR 50 -4.238 23.539 -5.677 350 HG1 THR 50 1HG THR 50 -1.755 24.210 -6.905 351 HG21 THR 50 3HG2 THR 50 -3.088 21.552 -6.024 352 HG22 THR 50 1HG2 THR 50 -2.298 22.145 -7.484 353 HG23 THR 50 2HG2 THR 50 -4.008 21.716 -7.519 354 H SER 51 H SER 51 -2.415 25.785 -8.399 355 HA SER 51 HA SER 51 -2.141 24.597 -11.058 356 HB2 SER 51 1HB SER 51 -2.326 27.069 -10.853 357 HB3 SER 51 2HB SER 51 -0.825 27.079 -9.927 358 HG SER 51 HG SER 51 0.228 26.222 -11.757 359 H GLU 52 H GLU 52 -1.222 23.241 -8.617 360 HA GLU 52 HA GLU 52 1.679 23.200 -9.113 361 HB2 GLU 52 1HB GLU 52 0.034 22.563 -6.681 362 HB3 GLU 52 2HB GLU 52 1.660 21.920 -6.859 363 HG2 GLU 52 1HG GLU 52 1.383 24.074 -5.540 364 HG3 GLU 52 2HG GLU 52 2.639 24.032 -6.776 365 H VAL 53 H VAL 53 2.748 21.203 -9.325 366 HA VAL 53 HA VAL 53 1.091 19.126 -10.505 367 HB VAL 53 HB VAL 53 3.253 19.962 -11.546 368 HG11 VAL 53 1HG1 VAL 53 4.476 18.224 -9.405 369 HG12 VAL 53 2HG1 VAL 53 5.333 19.005 -10.735 370 HG13 VAL 53 3HG1 VAL 53 4.578 19.983 -9.476 371 HG21 VAL 53 3HG2 VAL 53 3.593 17.946 -12.611 372 HG22 VAL 53 1HG2 VAL 53 3.404 17.010 -11.128 373 HG23 VAL 53 2HG2 VAL 53 1.989 17.706 -11.918 374 H ARG 54 H ARG 54 1.831 16.800 -10.044 375 HA ARG 54 HA ARG 54 2.952 16.123 -7.548 376 HB2 ARG 54 1HB ARG 54 0.733 15.186 -6.601 377 HB3 ARG 54 2HB ARG 54 1.078 16.899 -6.405 378 HG2 ARG 54 1HG ARG 54 -1.073 17.032 -7.112 379 HG3 ARG 54 2HG ARG 54 -0.261 17.061 -8.678 380 HD2 ARG 54 1HD ARG 54 -1.804 15.436 -9.092 381 HD3 ARG 54 2HD ARG 54 -0.504 14.438 -8.442 382 HE ARG 54 HE ARG 54 -1.792 14.011 -6.587 383 HH11 ARG 54 1HH1 ARG 54 -3.213 16.599 -8.432 384 HH12 ARG 54 2HH1 ARG 54 -4.689 16.611 -7.524 385 HH21 ARG 54 1HH2 ARG 54 -3.731 14.016 -5.385 386 HH22 ARG 54 2HH2 ARG 54 -4.982 15.142 -5.791 387 H LEU 55 H LEU 55 3.289 13.928 -7.360 388 HA LEU 55 HA LEU 55 2.046 12.197 -9.381 389 HB2 LEU 55 1HB LEU 55 4.144 12.675 -10.336 390 HB3 LEU 55 2HB LEU 55 4.970 12.526 -8.787 391 HG LEU 55 HG LEU 55 4.035 10.015 -9.056 392 HD11 LEU 55 1HD1 LEU 55 3.256 9.649 -11.104 393 HD12 LEU 55 2HD1 LEU 55 4.909 9.848 -11.682 394 HD13 LEU 55 3HD1 LEU 55 3.807 11.224 -11.673 395 HD21 LEU 55 3HD2 LEU 55 6.285 9.434 -9.861 396 HD22 LEU 55 1HD2 LEU 55 6.328 10.625 -8.561 397 HD23 LEU 55 2HD2 LEU 55 6.579 11.133 -10.231 398 H TYR 56 H TYR 56 1.419 10.247 -8.651 399 HA TYR 56 HA TYR 56 1.985 9.627 -5.841 400 HB2 TYR 56 1HB TYR 56 -0.254 8.961 -7.712 401 HB3 TYR 56 2HB TYR 56 0.064 7.899 -6.345 402 HD1 TYR 56 1HD TYR 56 0.284 11.613 -6.574 403 HD2 TYR 56 2HD TYR 56 -1.695 8.256 -4.864 404 HE1 TYR 56 1HE TYR 56 -0.997 13.120 -5.112 405 HE2 TYR 56 2HE TYR 56 -2.982 9.755 -3.399 406 HH TYR 56 HH TYR 56 -3.510 12.756 -3.844 407 H THR 57 H THR 57 3.305 8.021 -5.318 408 HA THR 57 HA THR 57 4.079 6.106 -7.414 409 HB THR 57 HB THR 57 5.606 6.669 -4.873 410 HG1 THR 57 1HG THR 57 5.782 8.577 -5.896 411 HG21 THR 57 3HG2 THR 57 5.933 4.554 -6.361 412 HG22 THR 57 1HG2 THR 57 7.344 5.454 -5.807 413 HG23 THR 57 2HG2 THR 57 6.749 5.673 -7.453 414 H VAL 58 H VAL 58 4.245 3.895 -6.931 415 HA VAL 58 HA VAL 58 2.953 3.039 -4.426 416 HB VAL 58 HB VAL 58 2.523 1.645 -7.064 417 HG11 VAL 58 1HG1 VAL 58 2.227 0.428 -4.862 418 HG12 VAL 58 2HG1 VAL 58 0.867 1.511 -4.556 419 HG13 VAL 58 3HG1 VAL 58 0.837 0.427 -5.947 420 HG21 VAL 58 3HG2 VAL 58 0.172 2.976 -6.120 421 HG22 VAL 58 1HG2 VAL 58 1.478 4.147 -6.304 422 HG23 VAL 58 2HG2 VAL 58 0.996 3.141 -7.670 423 H ARG 59 H ARG 59 4.088 1.596 -3.307 424 HA ARG 59 HA ARG 59 6.104 -0.015 -4.726 425 HB2 ARG 59 1HB ARG 59 7.636 0.243 -2.887 426 HB3 ARG 59 2HB ARG 59 7.130 1.841 -3.419 427 HG2 ARG 59 1HG ARG 59 5.808 2.184 -1.532 428 HG3 ARG 59 2HG ARG 59 5.766 0.465 -1.137 429 HD2 ARG 59 1HD ARG 59 7.244 1.868 0.332 430 HD3 ARG 59 2HD ARG 59 8.031 0.485 -0.427 431 HE ARG 59 HE ARG 59 8.277 2.990 -1.855 432 HH11 ARG 59 1HH1 ARG 59 9.672 0.808 0.471 433 HH12 ARG 59 2HH1 ARG 59 11.280 1.425 0.281 434 HH21 ARG 59 1HH2 ARG 59 10.389 3.811 -2.115 435 HH22 ARG 59 2HH2 ARG 59 11.686 3.133 -1.190 436 H TRP 60 H TRP 60 6.465 -2.106 -3.952 437 HA TRP 60 HA TRP 60 5.009 -3.104 -1.675 438 HB2 TRP 60 1HB TRP 60 3.719 -4.783 -2.948 439 HB3 TRP 60 2HB TRP 60 3.234 -3.136 -3.344 440 HD1 TRP 60 HD TRP 60 4.780 -6.248 -4.869 441 HE1 TRP 60 1HE TRP 60 4.990 -5.923 -7.414 442 HE3 TRP 60 3HE TRP 60 3.596 -1.282 -5.154 443 HZ2 TRP 60 2HZ TRP 60 4.693 -3.838 -9.293 444 HZ3 TRP 60 3HZ TRP 60 3.582 -0.198 -7.363 445 HH2 TRP 60 HH TRP 60 4.121 -1.451 -9.388 446 H ARG 61 H ARG 61 5.772 -5.081 -0.947 447 HA ARG 61 HA ARG 61 7.692 -6.551 -2.560 448 HB2 ARG 61 1HB ARG 61 9.452 -6.454 -0.863 449 HB3 ARG 61 2HB ARG 61 9.074 -4.848 -1.470 450 HG2 ARG 61 1HG ARG 61 9.152 -4.382 0.745 451 HG3 ARG 61 2HG ARG 61 7.453 -4.845 0.625 452 HD2 ARG 61 1HD ARG 61 8.095 -7.154 1.275 453 HD3 ARG 61 2HD ARG 61 9.747 -6.587 1.516 454 HE ARG 61 HE ARG 61 9.087 -5.544 3.468 455 HH11 ARG 61 1HH1 ARG 61 6.310 -6.723 1.730 456 HH12 ARG 61 2HH1 ARG 61 5.216 -6.474 3.050 457 HH21 ARG 61 1HH2 ARG 61 7.656 -5.212 5.212 458 HH22 ARG 61 2HH2 ARG 61 5.982 -5.613 5.030 459 H THR 62 H THR 62 8.210 -8.637 -1.689 460 HA THR 62 HA THR 62 6.089 -10.075 -0.699 461 HB THR 62 HB THR 62 8.054 -11.641 0.204 462 HG1 THR 62 1HG THR 62 9.404 -10.153 -1.797 463 HG21 THR 62 3HG2 THR 62 7.834 -11.255 -2.764 464 HG22 THR 62 1HG2 THR 62 6.470 -11.858 -1.825 465 HG23 THR 62 2HG2 THR 62 7.988 -12.754 -1.848 466 H SER 63 H SER 63 5.067 -10.047 1.182 467 HA SER 63 HA SER 63 6.147 -8.713 3.471 468 HB2 SER 63 1HB SER 63 3.718 -8.715 2.887 469 HB3 SER 63 2HB SER 63 3.658 -10.429 3.299 470 HG SER 63 HG SER 63 3.110 -8.712 4.967 471 H PHE 64 H PHE 64 7.500 -9.561 4.892 472 HA PHE 64 HA PHE 64 8.478 -11.028 6.340 473 HB2 PHE 64 1HB PHE 64 6.413 -13.088 5.582 474 HB3 PHE 64 2HB PHE 64 7.317 -12.954 7.087 475 HD1 PHE 64 2HD PHE 64 6.908 -10.750 8.440 476 HD2 PHE 64 1HD PHE 64 4.252 -12.308 5.502 477 HE1 PHE 64 2HE PHE 64 5.060 -9.469 9.436 478 HE2 PHE 64 1HE PHE 64 2.399 -11.028 6.493 479 HZ PHE 64 HZ PHE 64 2.801 -9.607 8.464 480 H SER 65 H SER 65 9.625 -10.760 3.932 481 HA SER 65 HA SER 65 10.518 -13.495 3.313 482 HB2 SER 65 1HB SER 65 9.168 -12.849 1.440 483 HB3 SER 65 2HB SER 65 9.928 -11.260 1.364 484 HG SER 65 HG SER 65 11.711 -13.329 1.190 485 H ALA 66 H ALA 66 12.620 -13.767 3.624 486 HA ALA 66 HA ALA 66 14.361 -11.870 4.593 487 HB1 ALA 66 3HB ALA 66 15.043 -14.068 4.884 488 HB2 ALA 66 1HB ALA 66 14.808 -14.473 3.183 489 HB3 ALA 66 2HB ALA 66 16.173 -13.467 3.670 490 H SER 67 H SER 67 14.695 -13.233 1.314 491 HA SER 67 HA SER 67 16.085 -10.829 0.464 492 HB2 SER 67 1HB SER 67 16.781 -13.219 -0.146 493 HB3 SER 67 2HB SER 67 15.420 -13.209 -1.267 494 HG SER 67 HG SER 67 17.524 -12.536 -2.132 495 H ALA 68 H ALA 68 14.118 -9.506 0.753 496 HA ALA 68 HA ALA 68 12.221 -9.787 -1.480 497 HB1 ALA 68 3HB ALA 68 10.979 -9.782 0.495 498 HB2 ALA 68 1HB ALA 68 11.975 -8.525 1.229 499 HB3 ALA 68 2HB ALA 68 10.864 -8.118 -0.080 500 H LYS 69 H LYS 69 11.691 -7.987 -2.754 501 HA LYS 69 HA LYS 69 13.596 -5.743 -2.585 502 HB2 LYS 69 1HB LYS 69 13.724 -5.651 -4.965 503 HB3 LYS 69 2HB LYS 69 13.994 -7.326 -4.501 504 HG2 LYS 69 1HG LYS 69 12.541 -7.662 -6.204 505 HG3 LYS 69 2HG LYS 69 11.375 -7.463 -4.893 506 HD2 LYS 69 1HD LYS 69 11.223 -5.048 -5.479 507 HD3 LYS 69 2HD LYS 69 12.266 -5.363 -6.868 508 HE2 LYS 69 1HE LYS 69 9.639 -6.758 -6.379 509 HE3 LYS 69 2HE LYS 69 9.816 -5.318 -7.381 510 HZ1 LYS 69 3HZ LYS 69 11.365 -7.791 -7.880 511 HZ2 LYS 69 1HZ LYS 69 11.127 -6.480 -8.922 512 HZ3 LYS 69 2HZ LYS 69 9.844 -7.524 -8.569 513 H TYR 70 H TYR 70 12.782 -3.723 -2.676 514 HA TYR 70 HA TYR 70 9.898 -3.439 -2.587 515 HB2 TYR 70 1HB TYR 70 12.235 -1.782 -1.831 516 HB3 TYR 70 2HB TYR 70 10.794 -0.907 -2.337 517 HD1 TYR 70 1HD TYR 70 8.642 -1.280 -1.101 518 HD2 TYR 70 2HD TYR 70 12.358 -2.806 0.300 519 HE1 TYR 70 1HE TYR 70 7.670 -1.573 1.139 520 HE2 TYR 70 2HE TYR 70 11.397 -3.105 2.543 521 HH TYR 70 HH TYR 70 9.470 -2.052 3.875 522 H LYS 71 H LYS 71 8.724 -3.045 -4.329 523 HA LYS 71 HA LYS 71 9.995 -2.116 -6.772 524 HB2 LYS 71 1HB LYS 71 8.160 -3.991 -6.466 525 HB3 LYS 71 2HB LYS 71 7.057 -2.624 -6.561 526 HG2 LYS 71 1HG LYS 71 7.506 -2.232 -8.757 527 HG3 LYS 71 2HG LYS 71 9.154 -2.856 -8.647 528 HD2 LYS 71 1HD LYS 71 8.043 -5.146 -8.287 529 HD3 LYS 71 2HD LYS 71 6.576 -4.376 -8.896 530 HE2 LYS 71 1HE LYS 71 7.479 -5.258 -10.826 531 HE3 LYS 71 2HE LYS 71 8.117 -3.615 -10.852 532 HZ1 LYS 71 3HZ LYS 71 9.983 -4.989 -9.447 533 HZ2 LYS 71 1HZ LYS 71 10.089 -4.593 -11.088 534 HZ3 LYS 71 2HZ LYS 71 9.512 -6.112 -10.621 535 H SER 72 H SER 72 8.767 -0.475 -8.107 536 HA SER 72 HA SER 72 7.242 1.494 -6.650 537 HB2 SER 72 1HB SER 72 8.823 3.352 -7.120 538 HB3 SER 72 2HB SER 72 9.494 2.162 -6.003 539 HG SER 72 HG SER 72 9.970 1.988 -8.778 540 H GLU 73 H GLU 73 5.796 2.376 -7.977 541 HA GLU 73 HA GLU 73 6.412 2.523 -10.848 542 HB2 GLU 73 1HB GLU 73 4.111 1.186 -9.507 543 HB3 GLU 73 2HB GLU 73 3.804 2.026 -11.021 544 HG2 GLU 73 1HG GLU 73 5.553 -0.344 -10.508 545 HG3 GLU 73 2HG GLU 73 4.231 -0.165 -11.659 546 H ASP 74 H ASP 74 5.300 4.158 -12.008 547 HA ASP 74 HA ASP 74 4.359 6.346 -10.284 548 HB2 ASP 74 1HB ASP 74 5.085 7.878 -11.952 549 HB3 ASP 74 2HB ASP 74 6.379 6.695 -11.780 550 H THR 75 H THR 75 2.304 6.966 -10.368 551 HA THR 75 HA THR 75 0.731 6.523 -12.784 552 HB THR 75 HB THR 75 0.387 4.489 -11.414 553 HG1 THR 75 1HG THR 75 -1.369 5.814 -12.640 554 HG21 THR 75 3HG2 THR 75 -1.270 5.794 -9.404 555 HG22 THR 75 1HG2 THR 75 0.435 6.222 -9.267 556 HG23 THR 75 2HG2 THR 75 -0.057 4.528 -9.218 557 H THR 76 H THR 76 -0.498 8.237 -13.204 558 HA THR 76 HA THR 76 -0.698 10.358 -11.240 559 HB THR 76 HB THR 76 -1.887 11.571 -13.137 560 HG1 THR 76 1HG THR 76 -0.843 9.458 -14.726 561 HG21 THR 76 3HG2 THR 76 0.142 12.172 -14.188 562 HG22 THR 76 1HG2 THR 76 0.858 10.589 -13.890 563 HG23 THR 76 2HG2 THR 76 0.587 11.701 -12.548 564 H SER 77 H SER 77 -2.221 7.795 -10.958 565 HA SER 77 HA SER 77 -4.901 8.994 -10.720 566 HB2 SER 77 1HB SER 77 -4.174 6.193 -11.592 567 HB3 SER 77 2HB SER 77 -5.801 6.657 -11.094 568 HG SER 77 HG SER 77 -4.998 6.793 -13.468 569 H LEU 78 H LEU 78 -6.287 7.675 -9.140 570 HA LEU 78 HA LEU 78 -4.703 7.307 -6.710 571 HB2 LEU 78 1HB LEU 78 -7.691 7.502 -7.056 572 HB3 LEU 78 2HB LEU 78 -6.821 7.479 -5.524 573 HG LEU 78 HG LEU 78 -6.491 9.655 -7.582 574 HD11 LEU 78 1HD1 LEU 78 -8.312 10.714 -6.853 575 HD12 LEU 78 2HD1 LEU 78 -7.966 10.331 -5.167 576 HD13 LEU 78 3HD1 LEU 78 -8.806 9.159 -6.182 577 HD21 LEU 78 3HD2 LEU 78 -5.358 10.842 -5.908 578 HD22 LEU 78 1HD2 LEU 78 -4.722 9.201 -5.798 579 HD23 LEU 78 2HD2 LEU 78 -5.923 9.760 -4.634 580 H SER 79 H SER 79 -4.962 5.301 -8.925 581 HA SER 79 HA SER 79 -5.397 3.010 -7.226 582 HB2 SER 79 1HB SER 79 -7.026 1.950 -8.811 583 HB3 SER 79 2HB SER 79 -7.677 3.341 -7.945 584 HG SER 79 HG SER 79 -6.464 3.801 -10.414 585 H TYR 80 H TYR 80 -3.998 1.451 -7.742 586 HA TYR 80 HA TYR 80 -2.869 1.424 -10.461 587 HB2 TYR 80 1HB TYR 80 -1.182 2.423 -9.093 588 HB3 TYR 80 2HB TYR 80 -1.399 1.215 -7.831 589 HD1 TYR 80 1HD TYR 80 0.074 1.912 -11.111 590 HD2 TYR 80 2HD TYR 80 -0.440 -1.006 -8.057 591 HE1 TYR 80 1HE TYR 80 1.862 0.554 -12.116 592 HE2 TYR 80 2HE TYR 80 1.347 -2.371 -9.053 593 HH TYR 80 HH TYR 80 2.708 -1.636 -12.157 594 H THR 81 H THR 81 -2.379 -0.576 -11.323 595 HA THR 81 HA THR 81 -3.508 -2.864 -9.862 596 HB THR 81 HB THR 81 -2.891 -2.834 -12.809 597 HG1 THR 81 1HG THR 81 -4.939 -2.040 -13.175 598 HG21 THR 81 3HG2 THR 81 -5.098 -4.360 -12.455 599 HG22 THR 81 1HG2 THR 81 -4.284 -4.608 -10.911 600 HG23 THR 81 2HG2 THR 81 -3.451 -4.989 -12.418 601 H ALA 82 H ALA 82 -2.016 -4.037 -8.852 602 HA ALA 82 HA ALA 82 0.721 -4.123 -9.764 603 HB1 ALA 82 3HB ALA 82 -0.598 -4.506 -7.307 604 HB2 ALA 82 1HB ALA 82 0.197 -6.031 -7.700 605 HB3 ALA 82 2HB ALA 82 1.136 -4.540 -7.625 606 H THR 83 H THR 83 0.995 -5.280 -11.595 607 HA THR 83 HA THR 83 -0.206 -7.956 -11.756 608 HB THR 83 HB THR 83 0.190 -7.899 -14.127 609 HG1 THR 83 1HG THR 83 1.322 -6.212 -15.095 610 HG21 THR 83 3HG2 THR 83 -1.015 -5.729 -14.731 611 HG22 THR 83 1HG2 THR 83 -1.002 -5.375 -13.004 612 HG23 THR 83 2HG2 THR 83 -1.833 -6.810 -13.604 613 H GLY 84 H GLY 84 1.087 -9.742 -12.495 614 HA2 GLY 84 1HA GLY 84 3.011 -11.008 -12.664 615 HA3 GLY 84 2HA GLY 84 3.939 -9.516 -12.662 616 H LEU 85 H LEU 85 1.758 -11.024 -10.282 617 HA LEU 85 HA LEU 85 3.904 -10.725 -8.290 618 HB2 LEU 85 1HB LEU 85 1.077 -11.193 -7.494 619 HB3 LEU 85 2HB LEU 85 2.345 -10.290 -6.668 620 HG LEU 85 HG LEU 85 1.187 -9.225 -9.210 621 HD11 LEU 85 1HD1 LEU 85 -0.235 -9.596 -6.683 622 HD12 LEU 85 2HD1 LEU 85 -0.853 -9.230 -8.294 623 HD13 LEU 85 3HD1 LEU 85 -0.233 -7.934 -7.272 624 HD21 LEU 85 3HD2 LEU 85 3.174 -8.368 -7.560 625 HD22 LEU 85 1HD2 LEU 85 1.785 -7.482 -6.930 626 HD23 LEU 85 2HD2 LEU 85 2.233 -7.327 -8.629 627 H LYS 86 H LYS 86 3.211 -12.352 -6.322 628 HA LYS 86 HA LYS 86 3.387 -15.009 -7.550 629 HB2 LYS 86 1HB LYS 86 5.116 -14.053 -5.863 630 HB3 LYS 86 2HB LYS 86 3.901 -14.427 -4.648 631 HG2 LYS 86 1HG LYS 86 4.038 -16.724 -5.048 632 HG3 LYS 86 2HG LYS 86 4.848 -16.495 -6.599 633 HD2 LYS 86 1HD LYS 86 6.634 -17.095 -5.297 634 HD3 LYS 86 2HD LYS 86 6.676 -15.343 -5.087 635 HE2 LYS 86 1HE LYS 86 5.723 -15.463 -2.954 636 HE3 LYS 86 2HE LYS 86 5.137 -17.106 -3.210 637 HZ1 LYS 86 3HZ LYS 86 7.785 -16.179 -2.425 638 HZ2 LYS 86 1HZ LYS 86 7.731 -17.512 -3.466 639 HZ3 LYS 86 2HZ LYS 86 6.947 -17.576 -1.968 640 HA PRO 87 HA PRO 87 -0.726 -15.946 -6.233 641 HB2 PRO 87 1HB PRO 87 -0.597 -18.641 -6.536 642 HB3 PRO 87 2HB PRO 87 -0.727 -17.526 -7.901 643 HG2 PRO 87 1HG PRO 87 1.697 -18.888 -6.793 644 HG3 PRO 87 2HG PRO 87 1.220 -18.655 -8.485 645 HD2 PRO 87 1HD PRO 87 3.069 -17.098 -7.266 646 HD3 PRO 87 2HD PRO 87 1.991 -16.484 -8.535 647 H ASN 88 H ASN 88 -1.800 -16.709 -4.428 648 HA ASN 88 HA ASN 88 -2.071 -17.254 -2.235 649 HB2 ASN 88 1HB ASN 88 -1.197 -19.469 -3.395 650 HB3 ASN 88 2HB ASN 88 0.206 -19.184 -2.368 651 HD21 ASN 88 1HD2 ASN 88 -3.319 -19.425 -2.273 652 HD22 ASN 88 2HD2 ASN 88 -3.403 -20.127 -0.696 653 H THR 89 H THR 89 -0.099 -15.183 -2.986 654 HA THR 89 HA THR 89 1.407 -15.168 -0.460 655 HB THR 89 HB THR 89 2.533 -14.058 -3.031 656 HG1 THR 89 1HG THR 89 2.652 -16.645 -1.935 657 HG21 THR 89 3HG2 THR 89 3.322 -13.217 -0.765 658 HG22 THR 89 1HG2 THR 89 4.567 -13.848 -1.841 659 HG23 THR 89 2HG2 THR 89 3.976 -14.834 -0.504 660 H MET 90 H MET 90 1.386 -13.277 0.645 661 HA MET 90 HA MET 90 -0.101 -11.052 -0.580 662 HB2 MET 90 1HB MET 90 -1.258 -11.901 1.339 663 HB3 MET 90 2HB MET 90 0.212 -11.882 2.305 664 HG2 MET 90 1HG MET 90 0.250 -9.433 2.172 665 HG3 MET 90 2HG MET 90 -1.249 -9.474 1.247 666 HE1 MET 90 3HE MET 90 0.279 -9.776 4.970 667 HE2 MET 90 1HE MET 90 -0.875 -10.962 5.582 668 HE3 MET 90 2HE MET 90 0.184 -11.377 4.234 669 H TYR 91 H TYR 91 0.599 -8.900 -0.192 670 HA TYR 91 HA TYR 91 3.327 -8.591 0.835 671 HB2 TYR 91 1HB TYR 91 2.730 -6.976 -1.557 672 HB3 TYR 91 2HB TYR 91 4.214 -7.801 -1.094 673 HD1 TYR 91 1HD TYR 91 3.872 -10.513 -1.112 674 HD2 TYR 91 2HD TYR 91 1.778 -7.699 -3.519 675 HE1 TYR 91 1HE TYR 91 3.411 -12.277 -2.763 676 HE2 TYR 91 2HE TYR 91 1.310 -9.455 -5.176 677 HH TYR 91 HH TYR 91 1.418 -12.563 -4.642 678 H GLU 92 H GLU 92 3.884 -6.144 0.881 679 HA GLU 92 HA GLU 92 1.590 -4.787 2.109 680 HB2 GLU 92 1HB GLU 92 3.198 -4.715 3.729 681 HB3 GLU 92 2HB GLU 92 4.520 -4.755 2.572 682 HG2 GLU 92 1HG GLU 92 4.493 -2.479 2.252 683 HG3 GLU 92 2HG GLU 92 2.814 -2.320 2.763 684 H PHE 93 H PHE 93 0.670 -3.111 1.135 685 HA PHE 93 HA PHE 93 2.120 -1.815 -1.075 686 HB2 PHE 93 1HB PHE 93 -0.850 -2.162 -0.628 687 HB3 PHE 93 2HB PHE 93 -0.154 -1.187 -1.919 688 HD1 PHE 93 2HD PHE 93 0.069 -4.638 -0.522 689 HD2 PHE 93 1HD PHE 93 0.121 -2.156 -3.979 690 HE1 PHE 93 2HE PHE 93 0.208 -6.637 -1.950 691 HE2 PHE 93 1HE PHE 93 0.259 -4.151 -5.413 692 HZ PHE 93 HZ PHE 93 0.303 -6.395 -4.399 693 H SER 94 H SER 94 2.056 0.434 -1.281 694 HA SER 94 HA SER 94 0.735 2.032 0.738 695 HB2 SER 94 1HB SER 94 3.126 1.183 1.528 696 HB3 SER 94 2HB SER 94 3.672 2.525 0.523 697 HG SER 94 HG SER 94 2.056 2.576 2.830 698 H VAL 95 H VAL 95 0.608 4.233 0.202 699 HA VAL 95 HA VAL 95 1.527 4.896 -2.520 700 HB VAL 95 HB VAL 95 -1.015 5.859 -1.200 701 HG11 VAL 95 1HG1 VAL 95 -0.087 7.490 -2.737 702 HG12 VAL 95 2HG1 VAL 95 0.058 6.258 -3.992 703 HG13 VAL 95 3HG1 VAL 95 -1.536 6.760 -3.428 704 HG21 VAL 95 3HG2 VAL 95 -0.977 4.110 -3.614 705 HG22 VAL 95 1HG2 VAL 95 -0.758 3.378 -2.024 706 HG23 VAL 95 2HG2 VAL 95 -2.221 4.298 -2.377 707 H MET 96 H MET 96 2.089 7.080 -2.927 708 HA MET 96 HA MET 96 2.261 8.903 -0.670 709 HB2 MET 96 1HB MET 96 4.693 9.300 -1.065 710 HB3 MET 96 2HB MET 96 4.330 7.709 -0.410 711 HG2 MET 96 1HG MET 96 4.719 6.657 -2.481 712 HG3 MET 96 2HG MET 96 4.713 8.192 -3.346 713 HE1 MET 96 3HE MET 96 6.608 10.128 -1.700 714 HE2 MET 96 1HE MET 96 8.102 9.767 -2.567 715 HE3 MET 96 2HE MET 96 6.573 9.852 -3.442 716 H VAL 97 H VAL 97 3.729 10.901 -1.617 717 HA VAL 97 HA VAL 97 2.948 11.461 -4.371 718 HB VAL 97 HB VAL 97 1.047 12.267 -3.057 719 HG11 VAL 97 1HG1 VAL 97 1.199 13.791 -1.304 720 HG12 VAL 97 2HG1 VAL 97 2.544 12.689 -1.003 721 HG13 VAL 97 3HG1 VAL 97 2.842 14.267 -1.732 722 HG21 VAL 97 3HG2 VAL 97 2.772 14.487 -4.153 723 HG22 VAL 97 1HG2 VAL 97 1.659 13.476 -5.075 724 HG23 VAL 97 2HG2 VAL 97 1.037 14.590 -3.857 725 H THR 98 H THR 98 4.128 13.143 -5.346 726 HA THR 98 HA THR 98 6.398 14.168 -3.775 727 HB THR 98 HB THR 98 6.477 13.051 -6.581 728 HG1 THR 98 1HG THR 98 6.757 11.794 -4.420 729 HG21 THR 98 3HG2 THR 98 8.259 14.305 -7.044 730 HG22 THR 98 1HG2 THR 98 9.047 13.805 -5.548 731 HG23 THR 98 2HG2 THR 98 7.972 15.203 -5.553 732 H LYS 99 H LYS 99 5.567 16.212 -3.511 733 HA LYS 99 HA LYS 99 5.169 17.766 -5.985 734 HB2 LYS 99 1HB LYS 99 3.057 17.587 -4.843 735 HB3 LYS 99 2HB LYS 99 3.790 18.047 -3.312 736 HG2 LYS 99 1HG LYS 99 4.342 20.264 -4.377 737 HG3 LYS 99 2HG LYS 99 3.309 19.774 -5.722 738 HD2 LYS 99 1HD LYS 99 2.350 19.770 -2.872 739 HD3 LYS 99 2HD LYS 99 2.237 21.198 -3.904 740 HE2 LYS 99 1HE LYS 99 0.937 19.882 -5.532 741 HE3 LYS 99 2HE LYS 99 1.013 18.494 -4.449 742 HZ1 LYS 99 3HZ LYS 99 -0.065 21.041 -3.455 743 HZ2 LYS 99 1HZ LYS 99 -0.416 19.462 -2.960 744 HZ3 LYS 99 2HZ LYS 99 -1.042 20.050 -4.417 745 H ASN 100 H ASN 100 5.903 19.943 -5.974 746 HA ASN 100 HA ASN 100 7.284 21.681 -5.453 747 HB2 ASN 100 1HB ASN 100 6.226 21.326 -3.130 748 HB3 ASN 100 2HB ASN 100 7.725 20.496 -2.720 749 HD21 ASN 100 1HD2 ASN 100 9.490 21.659 -2.231 750 HD22 ASN 100 2HD2 ASN 100 9.562 23.385 -2.253 751 H ARG 101 H ARG 101 8.220 19.184 -6.589 752 HA ARG 101 HA ARG 101 10.171 18.214 -7.240 753 HB2 ARG 101 1HB ARG 101 11.280 20.708 -5.954 754 HB3 ARG 101 2HB ARG 101 12.291 19.528 -6.778 755 HG2 ARG 101 1HG ARG 101 11.387 20.019 -8.860 756 HG3 ARG 101 2HG ARG 101 9.949 20.770 -8.164 757 HD2 ARG 101 1HD ARG 101 11.274 22.642 -7.377 758 HD3 ARG 101 2HD ARG 101 12.748 21.876 -7.967 759 HE ARG 101 HE ARG 101 10.768 23.283 -9.530 760 HH11 ARG 101 1HH1 ARG 101 13.418 21.025 -9.557 761 HH12 ARG 101 2HH1 ARG 101 13.799 21.292 -11.226 762 HH21 ARG 101 1HH2 ARG 101 11.260 23.643 -11.728 763 HH22 ARG 101 2HH2 ARG 101 12.571 22.782 -12.460 764 H ARG 102 H ARG 102 8.971 17.697 -4.563 765 HA ARG 102 HA ARG 102 11.254 16.254 -3.455 766 HB2 ARG 102 1HB ARG 102 10.947 17.022 -1.232 767 HB3 ARG 102 2HB ARG 102 10.991 18.460 -2.243 768 HG2 ARG 102 1HG ARG 102 8.720 18.862 -1.992 769 HG3 ARG 102 2HG ARG 102 8.382 17.201 -1.501 770 HD2 ARG 102 1HD ARG 102 10.008 19.148 0.127 771 HD3 ARG 102 2HD ARG 102 8.279 18.880 0.349 772 HE ARG 102 HE ARG 102 9.372 16.391 0.527 773 HH11 ARG 102 1HH1 ARG 102 9.909 19.425 2.147 774 HH12 ARG 102 2HH1 ARG 102 10.405 18.691 3.637 775 HH21 ARG 102 1HH2 ARG 102 10.023 15.412 2.482 776 HH22 ARG 102 2HH2 ARG 102 10.470 16.408 3.825 777 H SER 103 H SER 103 10.639 14.509 -2.028 778 HA SER 103 HA SER 103 7.945 13.509 -2.646 779 HB2 SER 103 1HB SER 103 9.124 11.296 -1.785 780 HB3 SER 103 2HB SER 103 9.354 11.864 -3.438 781 HG SER 103 HG SER 103 11.095 12.762 -1.433 782 H SER 104 H SER 104 6.621 12.683 -1.042 783 HA SER 104 HA SER 104 7.318 13.538 1.677 784 HB2 SER 104 1HB SER 104 4.985 13.657 2.138 785 HB3 SER 104 2HB SER 104 5.197 14.370 0.538 786 HG SER 104 HG SER 104 4.450 11.672 1.011 787 H THR 105 H THR 105 5.814 12.073 3.283 788 HA THR 105 HA THR 105 7.093 9.489 3.200 789 HB THR 105 HB THR 105 6.812 10.795 5.318 790 HG1 THR 105 1HG THR 105 7.181 8.547 5.411 791 HG21 THR 105 3HG2 THR 105 4.770 11.146 6.324 792 HG22 THR 105 1HG2 THR 105 3.997 9.813 5.467 793 HG23 THR 105 2HG2 THR 105 4.334 11.326 4.625 794 H TRP 106 H TRP 106 5.901 7.475 3.518 795 HA TRP 106 HA TRP 106 3.685 7.301 1.684 796 HB2 TRP 106 1HB TRP 106 5.043 5.175 3.354 797 HB3 TRP 106 2HB TRP 106 3.833 4.866 2.112 798 HD1 TRP 106 HD TRP 106 7.456 6.122 2.488 799 HE1 TRP 106 1HE TRP 106 8.668 5.773 0.245 800 HE3 TRP 106 3HE TRP 106 3.493 4.564 -0.341 801 HZ2 TRP 106 2HZ TRP 106 8.028 4.947 -2.378 802 HZ3 TRP 106 3HZ TRP 106 3.877 4.015 -2.708 803 HH2 TRP 106 HH TRP 106 6.099 4.204 -3.704 804 H SER 107 H SER 107 1.635 6.341 2.183 805 HA SER 107 HA SER 107 0.668 7.161 4.803 806 HB2 SER 107 1HB SER 107 -0.661 7.899 2.936 807 HB3 SER 107 2HB SER 107 -0.764 6.260 2.296 808 HG SER 107 HG SER 107 -2.429 5.965 3.525 809 H MET 108 H MET 108 -1.227 5.645 5.611 810 HA MET 108 HA MET 108 -0.172 3.436 6.792 811 HB2 MET 108 1HB MET 108 -2.507 2.592 7.029 812 HB3 MET 108 2HB MET 108 -2.316 4.282 7.475 813 HG2 MET 108 1HG MET 108 -3.448 5.041 5.605 814 HG3 MET 108 2HG MET 108 -3.188 3.540 4.718 815 HE1 MET 108 3HE MET 108 -4.038 1.467 5.193 816 HE2 MET 108 1HE MET 108 -5.376 1.018 6.251 817 HE3 MET 108 2HE MET 108 -5.703 1.704 4.659 818 H THR 109 H THR 109 0.069 1.280 6.350 819 HA THR 109 HA THR 109 0.174 0.558 3.555 820 HB THR 109 HB THR 109 1.024 -0.812 6.092 821 HG1 THR 109 1HG THR 109 2.392 0.754 5.016 822 HG21 THR 109 3HG2 THR 109 1.883 -2.649 4.566 823 HG22 THR 109 1HG2 THR 109 0.787 -2.014 3.340 824 HG23 THR 109 2HG2 THR 109 0.144 -2.635 4.860 825 H ALA 110 H ALA 110 -0.843 -1.300 2.644 826 HA ALA 110 HA ALA 110 -3.273 -2.171 4.067 827 HB1 ALA 110 3HB ALA 110 -3.115 -0.694 1.650 828 HB2 ALA 110 1HB ALA 110 -3.723 -2.306 1.269 829 HB3 ALA 110 2HB ALA 110 -4.548 -1.313 2.470 830 H HIS 111 H HIS 111 -3.497 -4.305 4.252 831 HA HIS 111 HA HIS 111 -1.619 -6.034 2.835 832 HB2 HIS 111 1HB HIS 111 -3.369 -6.387 5.254 833 HB3 HIS 111 2HB HIS 111 -2.669 -7.782 4.437 834 HD1 HIS 111 1HD HIS 111 0.110 -6.361 3.824 835 HD2 HIS 111 2HD HIS 111 -1.788 -6.573 7.514 836 HE1 HIS 111 1HE HIS 111 1.932 -6.077 5.534 837 HE2 HIS 111 2HE HIS 111 0.772 -6.295 7.759 838 H ALA 112 H ALA 112 -2.228 -7.739 1.531 839 HA ALA 112 HA ALA 112 -4.930 -8.532 1.138 840 HB1 ALA 112 3HB ALA 112 -4.200 -6.206 -0.234 841 HB2 ALA 112 1HB ALA 112 -4.186 -7.495 -1.437 842 HB3 ALA 112 2HB ALA 112 -5.639 -7.193 -0.485 843 H THR 113 H THR 113 -4.532 -10.640 0.951 844 HA THR 113 HA THR 113 -2.175 -11.616 -0.412 845 HB THR 113 HB THR 113 -4.372 -13.414 0.547 846 HG1 THR 113 1HG THR 113 -3.815 -13.101 2.625 847 HG21 THR 113 3HG2 THR 113 -2.174 -14.615 1.335 848 HG22 THR 113 1HG2 THR 113 -1.417 -13.564 0.138 849 HG23 THR 113 2HG2 THR 113 -2.679 -14.694 -0.353 850 H THR 114 H THR 114 -2.201 -13.071 -2.186 851 HA THR 114 HA THR 114 -4.342 -12.502 -4.076 852 HB THR 114 HB THR 114 -2.845 -13.707 -5.709 853 HG1 THR 114 1HG THR 114 -0.722 -14.134 -5.013 854 HG21 THR 114 3HG2 THR 114 -2.863 -11.176 -5.157 855 HG22 THR 114 1HG2 THR 114 -1.519 -11.831 -6.092 856 HG23 THR 114 2HG2 THR 114 -1.318 -11.500 -4.372 857 H TYR 115 H TYR 115 -5.328 -14.194 -5.347 858 HA TYR 115 HA TYR 115 -6.184 -16.388 -3.733 859 HB2 TYR 115 1HB TYR 115 -6.688 -16.036 -6.687 860 HB3 TYR 115 2HB TYR 115 -7.664 -16.927 -5.526 861 HD1 TYR 115 2HD TYR 115 -8.978 -15.670 -3.809 862 HD2 TYR 115 1HD TYR 115 -6.993 -13.706 -7.019 863 HE1 TYR 115 2HE TYR 115 -10.365 -13.673 -3.437 864 HE2 TYR 115 1HE TYR 115 -8.374 -11.703 -6.656 865 HH TYR 115 HH TYR 115 -10.677 -11.216 -5.633 866 H GLU 116 H GLU 116 -5.872 -18.599 -4.074 867 HA GLU 116 HA GLU 116 -3.281 -19.385 -4.812 868 HB2 GLU 116 1HB GLU 116 -5.150 -20.547 -3.336 869 HB3 GLU 116 2HB GLU 116 -5.507 -21.372 -4.847 870 HG2 GLU 116 1HG GLU 116 -3.258 -22.229 -4.961 871 HG3 GLU 116 2HG GLU 116 -2.804 -21.313 -3.525 872 H ALA 117 H ALA 117 -2.408 -19.681 -6.743 873 HA ALA 117 HA ALA 117 -3.742 -19.336 -9.161 874 HB1 ALA 117 3HB ALA 117 -1.375 -19.031 -9.049 875 HB2 ALA 117 1HB ALA 117 -1.127 -20.711 -8.570 876 HB3 ALA 117 2HB ALA 117 -1.700 -20.332 -10.195 877 H SER 118 H SER 118 -3.638 -21.065 -10.968 878 HA SER 118 HA SER 118 -4.545 -22.953 -11.856 879 HB2 SER 118 1HB SER 118 -2.589 -23.892 -10.450 880 HB3 SER 118 2HB SER 118 -3.838 -24.409 -9.317 881 HG SER 118 HG SER 118 -3.242 -25.344 -11.864 882 H GLY 119 H GLY 119 -6.308 -21.224 -10.511 883 HA2 GLY 119 1HA GLY 119 -8.708 -21.779 -10.475 884 HA3 GLY 119 2HA GLY 119 -8.285 -23.164 -9.479 885 HA PRO 120 HA PRO 120 -8.476 -18.958 -7.011 886 HB2 PRO 120 1HB PRO 120 -10.940 -17.887 -7.400 887 HB3 PRO 120 2HB PRO 120 -9.530 -17.428 -8.363 888 HG2 PRO 120 1HG PRO 120 -11.737 -19.339 -9.026 889 HG3 PRO 120 2HG PRO 120 -10.971 -18.114 -10.055 890 HD2 PRO 120 1HD PRO 120 -10.335 -20.742 -10.199 891 HD3 PRO 120 2HD PRO 120 -9.153 -19.455 -10.514 892 H SER 121 H SER 121 -8.913 -19.420 -4.953 893 HA SER 121 HA SER 121 -10.242 -21.599 -4.010 894 HB2 SER 121 1HB SER 121 -9.967 -18.901 -2.666 895 HB3 SER 121 2HB SER 121 -10.448 -20.382 -1.837 896 HG SER 121 HG SER 121 -8.049 -19.591 -2.075 897 H SER 122 H SER 122 -12.292 -22.185 -3.529 898 HA SER 122 HA SER 122 -14.418 -20.197 -3.987 899 HB2 SER 122 1HB SER 122 -15.793 -22.060 -4.939 900 HB3 SER 122 2HB SER 122 -14.377 -21.660 -5.911 901 HG SER 122 HG SER 122 -15.032 -24.005 -4.866 902 H GLY 123 H GLY 123 -16.573 -21.008 -3.071 903 HA2 GLY 123 1HA GLY 123 -16.034 -22.122 -0.393 904 HA3 GLY 123 2HA GLY 123 -17.331 -20.996 -0.767 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -15.134 10.019 -0.528 2 HA2 GLY 1 1HA GLY 1 -14.253 8.923 -3.014 3 HA3 GLY 1 2HA GLY 1 -15.056 7.710 -2.028 4 H SER 2 H SER 2 -16.873 7.430 -3.240 5 HA SER 2 HA SER 2 -18.626 9.785 -3.509 6 HB2 SER 2 1HB SER 2 -19.581 8.696 -5.531 7 HB3 SER 2 2HB SER 2 -17.872 9.092 -5.714 8 HG SER 2 HG SER 2 -19.075 6.573 -5.306 9 H SER 3 H SER 3 -18.670 6.223 -3.398 10 HA SER 3 HA SER 3 -21.218 6.393 -1.926 11 HB2 SER 3 1HB SER 3 -21.486 3.967 -2.708 12 HB3 SER 3 2HB SER 3 -21.648 5.221 -3.938 13 HG SER 3 HG SER 3 -19.078 4.316 -3.587 14 H GLY 4 H GLY 4 -18.020 5.954 -1.442 15 HA2 GLY 4 1HA GLY 4 -18.191 3.724 0.417 16 HA3 GLY 4 2HA GLY 4 -16.747 4.641 0.015 17 H SER 5 H SER 5 -17.354 3.930 2.626 18 HA SER 5 HA SER 5 -18.412 6.361 3.870 19 HB2 SER 5 1HB SER 5 -17.965 3.552 4.810 20 HB3 SER 5 2HB SER 5 -18.028 4.855 5.995 21 HG SER 5 HG SER 5 -20.029 4.236 4.077 22 H SER 6 H SER 6 -17.239 7.031 5.936 23 HA SER 6 HA SER 6 -14.348 7.102 5.379 24 HB2 SER 6 1HB SER 6 -16.211 9.146 6.572 25 HB3 SER 6 2HB SER 6 -14.467 9.239 6.820 26 HG SER 6 HG SER 6 -15.965 9.625 4.503 27 H GLY 7 H GLY 7 -13.049 7.631 7.448 28 HA2 GLY 7 1HA GLY 7 -14.161 6.325 9.820 29 HA3 GLY 7 2HA GLY 7 -12.724 5.613 9.101 30 H PHE 8 H PHE 8 -11.491 8.085 8.337 31 HA PHE 8 HA PHE 8 -9.912 9.486 9.200 32 HB2 PHE 8 1HB PHE 8 -11.956 10.825 9.564 33 HB3 PHE 8 2HB PHE 8 -12.133 10.103 11.160 34 HD1 PHE 8 1HD PHE 8 -9.652 11.996 9.123 35 HD2 PHE 8 2HD PHE 8 -11.272 11.214 12.980 36 HE1 PHE 8 1HE PHE 8 -8.232 13.765 10.074 37 HE2 PHE 8 2HE PHE 8 -9.855 12.983 13.937 38 HZ PHE 8 HZ PHE 8 -8.333 14.262 12.484 39 HA PRO 9 HA PRO 9 -9.215 6.510 12.847 40 HB2 PRO 9 1HB PRO 9 -7.473 4.824 11.625 41 HB3 PRO 9 2HB PRO 9 -9.221 4.559 11.633 42 HG2 PRO 9 1HG PRO 9 -7.493 5.734 9.489 43 HG3 PRO 9 2HG PRO 9 -8.824 4.571 9.342 44 HD2 PRO 9 1HD PRO 9 -9.129 7.208 8.809 45 HD3 PRO 9 2HD PRO 9 -10.439 6.210 9.473 46 H THR 10 H THR 10 -7.574 8.624 10.841 47 HA THR 10 HA THR 10 -4.965 8.296 12.075 48 HB THR 10 HB THR 10 -5.153 8.899 9.673 49 HG1 THR 10 1HG THR 10 -3.736 10.920 10.022 50 HG21 THR 10 3HG2 THR 10 -7.145 10.384 9.950 51 HG22 THR 10 1HG2 THR 10 -5.846 11.096 8.995 52 HG23 THR 10 2HG2 THR 10 -6.082 11.592 10.671 53 H SER 11 H SER 11 -3.906 9.953 13.267 54 HA SER 11 HA SER 11 -5.534 11.182 15.224 55 HB2 SER 11 1HB SER 11 -2.615 11.625 14.552 56 HB3 SER 11 2HB SER 11 -3.417 12.233 16.001 57 HG SER 11 HG SER 11 -3.104 9.511 15.255 58 H VAL 12 H VAL 12 -5.550 13.502 15.743 59 HA VAL 12 HA VAL 12 -6.640 15.060 13.747 60 HB VAL 12 HB VAL 12 -6.286 16.999 15.195 61 HG11 VAL 12 1HG1 VAL 12 -7.092 15.705 17.408 62 HG12 VAL 12 2HG1 VAL 12 -8.137 15.995 16.017 63 HG13 VAL 12 3HG1 VAL 12 -7.336 14.435 16.210 64 HG21 VAL 12 3HG2 VAL 12 -3.948 16.330 15.851 65 HG22 VAL 12 1HG2 VAL 12 -4.958 16.936 17.164 66 HG23 VAL 12 2HG2 VAL 12 -4.673 15.203 16.997 67 HA PRO 13 HA PRO 13 -3.298 16.451 11.247 68 HB2 PRO 13 1HB PRO 13 -4.376 18.755 10.301 69 HB3 PRO 13 2HB PRO 13 -4.898 17.157 9.757 70 HG2 PRO 13 1HG PRO 13 -6.158 18.977 11.772 71 HG3 PRO 13 2HG PRO 13 -6.929 18.017 10.496 72 HD2 PRO 13 1HD PRO 13 -6.878 17.226 13.086 73 HD3 PRO 13 2HD PRO 13 -6.846 16.074 11.735 74 H ASP 14 H ASP 14 -1.566 17.859 11.273 75 HA ASP 14 HA ASP 14 -1.503 19.745 13.532 76 HB2 ASP 14 1HB ASP 14 0.550 17.966 12.296 77 HB3 ASP 14 2HB ASP 14 1.087 19.486 13.006 78 H LEU 15 H LEU 15 0.303 21.493 13.104 79 HA LEU 15 HA LEU 15 -0.347 22.714 10.507 80 HB2 LEU 15 1HB LEU 15 0.536 24.006 13.084 81 HB3 LEU 15 2HB LEU 15 0.202 24.860 11.579 82 HG LEU 15 HG LEU 15 -1.890 23.237 13.006 83 HD11 LEU 15 1HD1 LEU 15 -0.976 24.988 14.508 84 HD12 LEU 15 2HD1 LEU 15 -2.666 25.238 14.074 85 HD13 LEU 15 3HD1 LEU 15 -1.406 26.196 13.297 86 HD21 LEU 15 3HD2 LEU 15 -2.454 25.620 11.332 87 HD22 LEU 15 1HD2 LEU 15 -3.378 24.132 11.537 88 HD23 LEU 15 2HD2 LEU 15 -1.944 24.144 10.510 89 H SER 16 H SER 16 1.384 24.242 9.689 90 HA SER 16 HA SER 16 3.422 24.306 8.641 91 HB2 SER 16 1HB SER 16 3.928 24.357 11.578 92 HB3 SER 16 2HB SER 16 5.323 24.204 10.510 93 HG SER 16 HG SER 16 4.849 26.387 10.920 94 H THR 17 H THR 17 2.316 21.724 8.589 95 HA THR 17 HA THR 17 4.562 19.924 9.127 96 HB THR 17 HB THR 17 2.941 18.113 8.504 97 HG1 THR 17 1HG THR 17 1.569 19.730 7.311 98 HG21 THR 17 3HG2 THR 17 3.274 19.355 10.869 99 HG22 THR 17 1HG2 THR 17 2.190 17.984 10.641 100 HG23 THR 17 2HG2 THR 17 1.549 19.627 10.628 101 HA PRO 18 HA PRO 18 5.839 19.695 4.929 102 HB2 PRO 18 1HB PRO 18 6.769 17.146 4.833 103 HB3 PRO 18 2HB PRO 18 7.618 18.448 5.675 104 HG2 PRO 18 1HG PRO 18 5.829 16.322 6.789 105 HG3 PRO 18 2HG PRO 18 7.371 16.929 7.419 106 HD2 PRO 18 1HD PRO 18 4.979 17.717 8.414 107 HD3 PRO 18 2HD PRO 18 6.394 18.788 8.370 108 H MET 19 H MET 19 5.755 17.952 3.038 109 HA MET 19 HA MET 19 3.329 17.848 1.926 110 HB2 MET 19 1HB MET 19 5.567 15.853 1.803 111 HB3 MET 19 2HB MET 19 4.081 15.570 0.907 112 HG2 MET 19 1HG MET 19 5.732 18.067 0.642 113 HG3 MET 19 2HG MET 19 5.924 16.649 -0.387 114 HE1 MET 19 3HE MET 19 2.733 16.540 -2.492 115 HE2 MET 19 1HE MET 19 4.363 15.921 -2.223 116 HE3 MET 19 2HE MET 19 3.088 15.585 -1.051 117 H LEU 20 H LEU 20 1.459 16.685 2.012 118 HA LEU 20 HA LEU 20 1.149 14.923 4.336 119 HB2 LEU 20 1HB LEU 20 -0.317 17.019 3.784 120 HB3 LEU 20 2HB LEU 20 -1.138 15.908 2.690 121 HG LEU 20 HG LEU 20 -2.258 16.172 4.888 122 HD11 LEU 20 1HD1 LEU 20 -1.949 13.936 3.382 123 HD12 LEU 20 2HD1 LEU 20 -3.026 14.069 4.772 124 HD13 LEU 20 3HD1 LEU 20 -1.421 13.363 4.965 125 HD21 LEU 20 3HD2 LEU 20 -1.154 16.024 6.808 126 HD22 LEU 20 1HD2 LEU 20 0.342 15.901 5.882 127 HD23 LEU 20 2HD2 LEU 20 -0.512 14.439 6.376 128 HA PRO 21 HA PRO 21 1.110 11.517 1.455 129 HB2 PRO 21 1HB PRO 21 0.742 9.589 3.330 130 HB3 PRO 21 2HB PRO 21 2.306 10.361 3.039 131 HG2 PRO 21 1HG PRO 21 0.281 10.927 5.170 132 HG3 PRO 21 2HG PRO 21 2.046 10.813 5.305 133 HD2 PRO 21 1HD PRO 21 0.745 13.185 5.181 134 HD3 PRO 21 2HD PRO 21 2.371 12.952 4.508 135 HA PRO 22 HA PRO 22 -3.129 10.562 0.780 136 HB2 PRO 22 1HB PRO 22 -3.022 7.972 -0.026 137 HB3 PRO 22 2HB PRO 22 -2.462 9.314 -1.030 138 HG2 PRO 22 1HG PRO 22 -0.876 7.439 0.681 139 HG3 PRO 22 2HG PRO 22 -0.526 8.030 -0.954 140 HD2 PRO 22 1HD PRO 22 0.656 9.062 1.253 141 HD3 PRO 22 2HD PRO 22 0.301 10.040 -0.186 142 H VAL 23 H VAL 23 -4.835 8.788 1.248 143 HA VAL 23 HA VAL 23 -4.367 7.464 3.818 144 HB VAL 23 HB VAL 23 -6.382 8.317 4.814 145 HG11 VAL 23 1HG1 VAL 23 -4.359 9.653 5.110 146 HG12 VAL 23 2HG1 VAL 23 -4.757 10.585 3.664 147 HG13 VAL 23 3HG1 VAL 23 -5.798 10.673 5.086 148 HG21 VAL 23 3HG2 VAL 23 -7.785 9.989 3.725 149 HG22 VAL 23 1HG2 VAL 23 -6.774 9.911 2.282 150 HG23 VAL 23 2HG2 VAL 23 -7.722 8.507 2.771 151 H GLY 24 H GLY 24 -6.726 6.398 4.386 152 HA2 GLY 24 1HA GLY 24 -7.961 4.523 3.862 153 HA3 GLY 24 2HA GLY 24 -8.459 5.492 2.483 154 H VAL 25 H VAL 25 -5.159 4.436 2.974 155 HA VAL 25 HA VAL 25 -4.885 3.382 0.400 156 HB VAL 25 HB VAL 25 -3.257 2.721 2.858 157 HG11 VAL 25 1HG1 VAL 25 -3.119 1.800 0.112 158 HG12 VAL 25 2HG1 VAL 25 -1.624 2.582 0.629 159 HG13 VAL 25 3HG1 VAL 25 -2.268 1.217 1.543 160 HG21 VAL 25 3HG2 VAL 25 -3.411 5.072 1.134 161 HG22 VAL 25 1HG2 VAL 25 -2.700 4.885 2.738 162 HG23 VAL 25 2HG2 VAL 25 -1.778 4.429 1.305 163 H GLN 26 H GLN 26 -6.154 1.776 -0.314 164 HA GLN 26 HA GLN 26 -6.430 -0.624 1.370 165 HB2 GLN 26 1HB GLN 26 -8.569 0.440 0.890 166 HB3 GLN 26 2HB GLN 26 -8.228 0.398 -0.835 167 HG2 GLN 26 1HG GLN 26 -8.284 -2.024 -0.814 168 HG3 GLN 26 2HG GLN 26 -8.550 -2.019 0.929 169 HE21 GLN 26 1HE2 GLN 26 -10.367 -3.385 -0.165 170 HE22 GLN 26 2HE2 GLN 26 -11.848 -2.535 -0.423 171 H ALA 27 H ALA 27 -6.478 -2.696 0.246 172 HA ALA 27 HA ALA 27 -4.976 -2.675 -2.288 173 HB1 ALA 27 3HB ALA 27 -3.383 -3.204 -0.581 174 HB2 ALA 27 1HB ALA 27 -4.461 -4.411 0.121 175 HB3 ALA 27 2HB ALA 27 -3.748 -4.683 -1.470 176 H VAL 28 H VAL 28 -6.596 -3.257 -3.647 177 HA VAL 28 HA VAL 28 -8.403 -5.422 -2.952 178 HB VAL 28 HB VAL 28 -8.268 -3.978 -5.594 179 HG11 VAL 28 1HG1 VAL 28 -10.188 -5.016 -6.113 180 HG12 VAL 28 2HG1 VAL 28 -9.720 -6.157 -4.850 181 HG13 VAL 28 3HG1 VAL 28 -10.838 -4.843 -4.482 182 HG21 VAL 28 3HG2 VAL 28 -10.362 -2.959 -3.976 183 HG22 VAL 28 1HG2 VAL 28 -8.864 -2.861 -3.050 184 HG23 VAL 28 2HG2 VAL 28 -8.971 -2.101 -4.638 185 H ALA 29 H ALA 29 -8.311 -7.460 -3.703 186 HA ALA 29 HA ALA 29 -5.998 -8.182 -5.349 187 HB1 ALA 29 3HB ALA 29 -6.295 -9.333 -3.193 188 HB2 ALA 29 1HB ALA 29 -7.839 -9.969 -3.763 189 HB3 ALA 29 2HB ALA 29 -6.339 -10.446 -4.561 190 H LEU 30 H LEU 30 -6.358 -8.273 -7.465 191 HA LEU 30 HA LEU 30 -8.999 -8.763 -8.526 192 HB2 LEU 30 1HB LEU 30 -6.431 -8.524 -10.071 193 HB3 LEU 30 2HB LEU 30 -8.073 -8.265 -10.657 194 HG LEU 30 HG LEU 30 -6.832 -6.502 -8.562 195 HD11 LEU 30 1HD1 LEU 30 -5.434 -6.581 -10.643 196 HD12 LEU 30 2HD1 LEU 30 -6.098 -4.997 -10.245 197 HD13 LEU 30 3HD1 LEU 30 -6.833 -5.964 -11.523 198 HD21 LEU 30 3HD2 LEU 30 -8.531 -4.964 -9.938 199 HD22 LEU 30 1HD2 LEU 30 -9.025 -5.935 -8.551 200 HD23 LEU 30 2HD2 LEU 30 -9.303 -6.531 -10.188 201 H THR 31 H THR 31 -5.811 -10.309 -8.940 202 HA THR 31 HA THR 31 -7.097 -12.919 -9.001 203 HB THR 31 HB THR 31 -6.845 -11.868 -11.403 204 HG1 THR 31 1HG THR 31 -7.467 -14.055 -10.890 205 HG21 THR 31 3HG2 THR 31 -4.252 -11.657 -10.713 206 HG22 THR 31 1HG2 THR 31 -4.797 -11.862 -12.377 207 HG23 THR 31 2HG2 THR 31 -4.236 -13.256 -11.455 208 H HIS 32 H HIS 32 -5.266 -14.646 -9.394 209 HA HIS 32 HA HIS 32 -3.623 -14.765 -7.242 210 HB2 HIS 32 1HB HIS 32 -2.194 -16.341 -8.560 211 HB3 HIS 32 2HB HIS 32 -3.918 -16.689 -8.658 212 HD1 HIS 32 1HD HIS 32 -5.079 -15.572 -10.923 213 HD2 HIS 32 2HD HIS 32 -0.988 -16.293 -10.975 214 HE1 HIS 32 1HE HIS 32 -4.432 -15.599 -13.353 215 HE2 HIS 32 2HE HIS 32 -1.968 -16.121 -13.363 216 H ASP 33 H ASP 33 -2.608 -13.612 -10.460 217 HA ASP 33 HA ASP 33 -0.310 -12.299 -9.175 218 HB2 ASP 33 1HB ASP 33 -0.722 -13.074 -12.071 219 HB3 ASP 33 2HB ASP 33 0.703 -12.259 -11.432 220 H ALA 34 H ALA 34 -2.746 -11.049 -8.898 221 HA ALA 34 HA ALA 34 -2.219 -8.544 -10.240 222 HB1 ALA 34 3HB ALA 34 -4.952 -9.748 -10.596 223 HB2 ALA 34 1HB ALA 34 -4.291 -8.296 -11.348 224 HB3 ALA 34 2HB ALA 34 -3.679 -9.886 -11.809 225 H VAL 35 H VAL 35 -2.728 -6.862 -8.965 226 HA VAL 35 HA VAL 35 -4.763 -7.153 -6.898 227 HB VAL 35 HB VAL 35 -1.848 -6.778 -6.350 228 HG11 VAL 35 1HG1 VAL 35 -2.461 -5.874 -4.102 229 HG12 VAL 35 2HG1 VAL 35 -2.753 -4.761 -5.440 230 HG13 VAL 35 3HG1 VAL 35 -4.100 -5.634 -4.707 231 HG21 VAL 35 3HG2 VAL 35 -4.040 -8.550 -5.501 232 HG22 VAL 35 1HG2 VAL 35 -2.315 -8.876 -5.671 233 HG23 VAL 35 2HG2 VAL 35 -2.921 -8.064 -4.227 234 H ARG 36 H ARG 36 -6.029 -5.438 -7.108 235 HA ARG 36 HA ARG 36 -4.996 -2.987 -8.282 236 HB2 ARG 36 1HB ARG 36 -7.077 -3.617 -9.189 237 HB3 ARG 36 2HB ARG 36 -7.751 -3.986 -7.607 238 HG2 ARG 36 1HG ARG 36 -8.773 -1.986 -8.259 239 HG3 ARG 36 2HG ARG 36 -7.529 -1.507 -7.103 240 HD2 ARG 36 1HD ARG 36 -7.271 0.027 -8.831 241 HD3 ARG 36 2HD ARG 36 -6.035 -1.182 -9.175 242 HE ARG 36 HE ARG 36 -8.170 -2.042 -10.603 243 HH11 ARG 36 1HH1 ARG 36 -6.481 0.995 -10.392 244 HH12 ARG 36 2HH1 ARG 36 -6.816 1.444 -12.032 245 HH21 ARG 36 1HH2 ARG 36 -8.619 -1.461 -12.763 246 HH22 ARG 36 2HH2 ARG 36 -8.033 0.047 -13.379 247 H VAL 37 H VAL 37 -3.966 -1.665 -6.924 248 HA VAL 37 HA VAL 37 -4.877 -1.409 -4.161 249 HB VAL 37 HB VAL 37 -2.463 -0.171 -5.491 250 HG11 VAL 37 1HG1 VAL 37 -1.828 0.661 -3.461 251 HG12 VAL 37 2HG1 VAL 37 -3.581 0.761 -3.283 252 HG13 VAL 37 3HG1 VAL 37 -2.694 -0.579 -2.556 253 HG21 VAL 37 3HG2 VAL 37 -2.919 -2.854 -4.812 254 HG22 VAL 37 1HG2 VAL 37 -1.385 -2.098 -5.246 255 HG23 VAL 37 2HG2 VAL 37 -1.868 -2.206 -3.553 256 H SER 38 H SER 38 -6.426 0.029 -3.783 257 HA SER 38 HA SER 38 -6.308 2.614 -5.196 258 HB2 SER 38 1HB SER 38 -8.722 2.716 -5.180 259 HB3 SER 38 2HB SER 38 -8.239 1.175 -5.888 260 HG SER 38 HG SER 38 -9.618 0.453 -4.449 261 H TRP 39 H TRP 39 -6.365 4.421 -3.985 262 HA TRP 39 HA TRP 39 -6.935 4.134 -1.110 263 HB2 TRP 39 1HB TRP 39 -5.138 5.813 -0.686 264 HB3 TRP 39 2HB TRP 39 -4.538 4.293 -1.343 265 HD1 TRP 39 HD TRP 39 -4.593 7.982 -2.006 266 HE1 TRP 39 1HE TRP 39 -3.338 8.491 -4.195 267 HE3 TRP 39 3HE TRP 39 -4.094 3.215 -3.783 268 HZ2 TRP 39 2HZ TRP 39 -2.277 7.061 -6.385 269 HZ3 TRP 39 3HZ TRP 39 -2.947 2.871 -5.933 270 HH2 TRP 39 HH TRP 39 -2.059 4.756 -7.206 271 H ALA 40 H ALA 40 -7.008 6.534 -0.155 272 HA ALA 40 HA ALA 40 -8.768 8.096 -1.932 273 HB1 ALA 40 3HB ALA 40 -9.755 6.831 0.138 274 HB2 ALA 40 1HB ALA 40 -9.097 8.205 1.029 275 HB3 ALA 40 2HB ALA 40 -10.285 8.468 -0.249 276 H ASP 41 H ASP 41 -8.892 10.415 -1.394 277 HA ASP 41 HA ASP 41 -6.333 11.403 -0.314 278 HB2 ASP 41 1HB ASP 41 -6.592 13.327 -1.879 279 HB3 ASP 41 2HB ASP 41 -6.400 11.780 -2.699 280 H ASN 42 H ASN 42 -6.772 12.128 1.676 281 HA ASN 42 HA ASN 42 -9.276 13.529 2.200 282 HB2 ASN 42 1HB ASN 42 -7.183 12.227 3.871 283 HB3 ASN 42 2HB ASN 42 -8.081 13.560 4.591 284 HD21 ASN 42 1HD2 ASN 42 -8.371 11.267 5.815 285 HD22 ASN 42 2HD2 ASN 42 -9.895 10.529 5.471 286 H SER 43 H SER 43 -6.319 14.351 1.061 287 HA SER 43 HA SER 43 -6.028 16.830 2.560 288 HB2 SER 43 1HB SER 43 -4.388 15.725 0.266 289 HB3 SER 43 2HB SER 43 -3.987 17.152 1.222 290 HG SER 43 HG SER 43 -3.134 15.867 2.633 291 H VAL 44 H VAL 44 -8.327 16.249 0.722 292 HA VAL 44 HA VAL 44 -8.081 18.689 -0.901 293 HB VAL 44 HB VAL 44 -9.422 16.140 -1.813 294 HG11 VAL 44 1HG1 VAL 44 -9.498 18.920 -2.754 295 HG12 VAL 44 2HG1 VAL 44 -9.194 17.717 -4.008 296 HG13 VAL 44 3HG1 VAL 44 -10.642 17.602 -3.007 297 HG21 VAL 44 3HG2 VAL 44 -7.513 16.671 -3.658 298 HG22 VAL 44 1HG2 VAL 44 -6.715 17.228 -2.188 299 HG23 VAL 44 2HG2 VAL 44 -7.297 15.567 -2.300 300 HA PRO 45 HA PRO 45 -11.749 19.311 1.682 301 HB2 PRO 45 1HB PRO 45 -11.758 22.009 1.383 302 HB3 PRO 45 2HB PRO 45 -10.717 21.175 2.542 303 HG2 PRO 45 1HG PRO 45 -10.058 22.227 -0.182 304 HG3 PRO 45 2HG PRO 45 -9.114 22.331 1.316 305 HD2 PRO 45 1HD PRO 45 -8.579 20.514 -0.619 306 HD3 PRO 45 2HD PRO 45 -8.304 20.184 1.103 307 H LYS 46 H LYS 46 -13.665 20.982 1.190 308 HA LYS 46 HA LYS 46 -14.897 20.046 -1.186 309 HB2 LYS 46 1HB LYS 46 -16.124 20.671 0.888 310 HB3 LYS 46 2HB LYS 46 -15.737 22.357 0.573 311 HG2 LYS 46 1HG LYS 46 -17.829 22.263 -0.313 312 HG3 LYS 46 2HG LYS 46 -16.883 21.835 -1.741 313 HD2 LYS 46 1HD LYS 46 -18.595 20.241 -1.685 314 HD3 LYS 46 2HD LYS 46 -17.205 19.405 -0.990 315 HE2 LYS 46 1HE LYS 46 -18.879 18.858 0.499 316 HE3 LYS 46 2HE LYS 46 -18.157 20.268 1.271 317 HZ1 LYS 46 3HZ LYS 46 -20.758 20.021 0.874 318 HZ2 LYS 46 1HZ LYS 46 -20.343 20.777 -0.582 319 HZ3 LYS 46 2HZ LYS 46 -19.978 21.522 0.891 320 H ASN 47 H ASN 47 -14.224 23.425 -0.252 321 HA ASN 47 HA ASN 47 -14.358 24.291 -2.987 322 HB2 ASN 47 1HB ASN 47 -13.747 25.670 -0.381 323 HB3 ASN 47 2HB ASN 47 -13.565 26.502 -1.923 324 HD21 ASN 47 1HD2 ASN 47 -15.198 27.895 -0.856 325 HD22 ASN 47 2HD2 ASN 47 -16.863 27.491 -1.074 326 H GLN 48 H GLN 48 -12.756 23.979 -4.375 327 HA GLN 48 HA GLN 48 -10.057 24.738 -3.677 328 HB2 GLN 48 1HB GLN 48 -10.890 21.917 -3.937 329 HB3 GLN 48 2HB GLN 48 -9.439 22.359 -4.827 330 HG2 GLN 48 1HG GLN 48 -9.666 23.178 -1.979 331 HG3 GLN 48 2HG GLN 48 -9.319 21.491 -2.355 332 HE21 GLN 48 1HE2 GLN 48 -7.286 21.799 -1.322 333 HE22 GLN 48 2HE2 GLN 48 -5.984 22.566 -2.159 334 H LYS 49 H LYS 49 -9.567 26.046 -5.302 335 HA LYS 49 HA LYS 49 -10.057 25.115 -8.046 336 HB2 LYS 49 1HB LYS 49 -10.569 27.900 -6.989 337 HB3 LYS 49 2HB LYS 49 -10.599 27.458 -8.691 338 HG2 LYS 49 1HG LYS 49 -12.414 26.337 -6.566 339 HG3 LYS 49 2HG LYS 49 -12.843 27.595 -7.728 340 HD2 LYS 49 1HD LYS 49 -12.065 25.812 -9.483 341 HD3 LYS 49 2HD LYS 49 -12.375 24.678 -8.166 342 HE2 LYS 49 1HE LYS 49 -14.656 25.805 -7.964 343 HE3 LYS 49 2HE LYS 49 -14.301 26.542 -9.526 344 HZ1 LYS 49 3HZ LYS 49 -14.950 23.781 -8.882 345 HZ2 LYS 49 1HZ LYS 49 -13.767 24.006 -10.071 346 HZ3 LYS 49 2HZ LYS 49 -15.304 24.682 -10.269 347 H THR 50 H THR 50 -7.669 24.678 -6.918 348 HA THR 50 HA THR 50 -5.937 26.830 -7.947 349 HB THR 50 HB THR 50 -4.173 25.983 -6.465 350 HG1 THR 50 1HG THR 50 -5.354 23.788 -6.421 351 HG21 THR 50 3HG2 THR 50 -5.279 26.559 -4.273 352 HG22 THR 50 1HG2 THR 50 -6.804 26.650 -5.152 353 HG23 THR 50 2HG2 THR 50 -5.487 27.751 -5.556 354 H SER 51 H SER 51 -3.998 26.206 -9.053 355 HA SER 51 HA SER 51 -4.338 23.697 -10.532 356 HB2 SER 51 1HB SER 51 -2.992 26.306 -11.148 357 HB3 SER 51 2HB SER 51 -2.506 24.845 -12.007 358 HG SER 51 HG SER 51 -4.832 26.319 -12.190 359 H GLU 52 H GLU 52 -3.488 22.485 -8.690 360 HA GLU 52 HA GLU 52 -0.551 22.639 -8.514 361 HB2 GLU 52 1HB GLU 52 -2.608 21.825 -6.471 362 HB3 GLU 52 2HB GLU 52 -0.914 21.385 -6.309 363 HG2 GLU 52 1HG GLU 52 -1.687 24.237 -6.731 364 HG3 GLU 52 2HG GLU 52 -1.811 23.507 -5.132 365 H VAL 53 H VAL 53 0.480 21.034 -9.482 366 HA VAL 53 HA VAL 53 -0.952 18.522 -9.990 367 HB VAL 53 HB VAL 53 1.580 19.584 -11.253 368 HG11 VAL 53 1HG1 VAL 53 0.995 17.706 -12.926 369 HG12 VAL 53 2HG1 VAL 53 1.784 17.274 -11.407 370 HG13 VAL 53 3HG1 VAL 53 0.046 17.035 -11.599 371 HG21 VAL 53 3HG2 VAL 53 -0.497 20.818 -11.837 372 HG22 VAL 53 1HG2 VAL 53 0.249 20.002 -13.211 373 HG23 VAL 53 2HG2 VAL 53 -1.178 19.308 -12.442 374 H ARG 54 H ARG 54 0.069 16.503 -9.624 375 HA ARG 54 HA ARG 54 2.581 16.322 -8.268 376 HB2 ARG 54 1HB ARG 54 1.650 15.342 -6.169 377 HB3 ARG 54 2HB ARG 54 1.316 17.058 -6.363 378 HG2 ARG 54 1HG ARG 54 -0.720 15.125 -7.326 379 HG3 ARG 54 2HG ARG 54 -0.539 15.354 -5.585 380 HD2 ARG 54 1HD ARG 54 -0.702 17.766 -7.316 381 HD3 ARG 54 2HD ARG 54 -2.179 16.848 -7.026 382 HE ARG 54 HE ARG 54 -0.739 18.473 -5.131 383 HH11 ARG 54 1HH1 ARG 54 -3.023 15.881 -5.561 384 HH12 ARG 54 2HH1 ARG 54 -3.750 16.088 -4.002 385 HH21 ARG 54 1HH2 ARG 54 -1.688 18.756 -3.076 386 HH22 ARG 54 2HH2 ARG 54 -2.991 17.724 -2.590 387 H LEU 55 H LEU 55 3.345 14.206 -8.132 388 HA LEU 55 HA LEU 55 1.774 12.263 -9.670 389 HB2 LEU 55 1HB LEU 55 3.865 12.604 -10.676 390 HB3 LEU 55 2HB LEU 55 4.708 12.577 -9.129 391 HG LEU 55 HG LEU 55 3.779 10.070 -9.142 392 HD11 LEU 55 1HD1 LEU 55 4.542 9.975 -11.925 393 HD12 LEU 55 2HD1 LEU 55 3.081 10.934 -11.689 394 HD13 LEU 55 3HD1 LEU 55 3.145 9.268 -11.113 395 HD21 LEU 55 3HD2 LEU 55 6.050 10.390 -8.794 396 HD22 LEU 55 1HD2 LEU 55 6.264 11.256 -10.316 397 HD23 LEU 55 2HD2 LEU 55 6.011 9.510 -10.323 398 H TYR 56 H TYR 56 1.531 10.122 -8.964 399 HA TYR 56 HA TYR 56 1.948 9.749 -6.070 400 HB2 TYR 56 1HB TYR 56 -0.275 8.865 -7.892 401 HB3 TYR 56 2HB TYR 56 0.025 8.045 -6.364 402 HD1 TYR 56 1HD TYR 56 0.006 11.643 -7.390 403 HD2 TYR 56 2HD TYR 56 -1.554 8.650 -4.799 404 HE1 TYR 56 1HE TYR 56 -1.317 13.355 -6.219 405 HE2 TYR 56 2HE TYR 56 -2.882 10.353 -3.622 406 HH TYR 56 HH TYR 56 -3.119 13.633 -4.794 407 H THR 57 H THR 57 2.954 7.943 -5.355 408 HA THR 57 HA THR 57 3.866 6.027 -7.402 409 HB THR 57 HB THR 57 5.319 6.574 -4.819 410 HG1 THR 57 1HG THR 57 5.357 7.985 -7.250 411 HG21 THR 57 3HG2 THR 57 6.163 5.361 -7.453 412 HG22 THR 57 1HG2 THR 57 5.891 4.494 -5.942 413 HG23 THR 57 2HG2 THR 57 7.227 5.639 -6.074 414 H VAL 58 H VAL 58 4.031 3.823 -6.809 415 HA VAL 58 HA VAL 58 2.672 3.055 -4.320 416 HB VAL 58 HB VAL 58 2.099 1.773 -6.993 417 HG11 VAL 58 1HG1 VAL 58 0.190 1.312 -4.875 418 HG12 VAL 58 2HG1 VAL 58 1.067 0.150 -5.872 419 HG13 VAL 58 3HG1 VAL 58 1.807 0.790 -4.405 420 HG21 VAL 58 3HG2 VAL 58 0.989 3.782 -7.209 421 HG22 VAL 58 1HG2 VAL 58 -0.242 2.788 -6.431 422 HG23 VAL 58 2HG2 VAL 58 0.701 3.931 -5.475 423 H ARG 59 H ARG 59 3.988 1.798 -3.192 424 HA ARG 59 HA ARG 59 5.875 0.064 -4.643 425 HB2 ARG 59 1HB ARG 59 7.419 0.301 -2.896 426 HB3 ARG 59 2HB ARG 59 6.751 1.915 -3.095 427 HG2 ARG 59 1HG ARG 59 5.104 1.187 -1.229 428 HG3 ARG 59 2HG ARG 59 6.314 -0.054 -0.896 429 HD2 ARG 59 1HD ARG 59 7.109 2.821 -1.157 430 HD3 ARG 59 2HD ARG 59 6.438 2.213 0.356 431 HE ARG 59 HE ARG 59 9.062 1.746 -0.670 432 HH11 ARG 59 1HH1 ARG 59 6.516 0.383 1.275 433 HH12 ARG 59 2HH1 ARG 59 7.584 -0.612 2.208 434 HH21 ARG 59 1HH2 ARG 59 10.478 0.440 0.552 435 HH22 ARG 59 2HH2 ARG 59 9.838 -0.578 1.797 436 H TRP 60 H TRP 60 6.184 -2.067 -3.941 437 HA TRP 60 HA TRP 60 4.546 -3.128 -1.804 438 HB2 TRP 60 1HB TRP 60 3.387 -4.766 -3.215 439 HB3 TRP 60 2HB TRP 60 2.974 -3.120 -3.690 440 HD1 TRP 60 HD TRP 60 4.699 -6.260 -4.962 441 HE1 TRP 60 1HE TRP 60 5.201 -5.981 -7.471 442 HE3 TRP 60 3HE TRP 60 3.511 -1.315 -5.483 443 HZ2 TRP 60 2HZ TRP 60 5.106 -3.936 -9.414 444 HZ3 TRP 60 3HZ TRP 60 3.745 -0.273 -7.700 445 HH2 TRP 60 HH TRP 60 4.527 -1.558 -9.623 446 H ARG 61 H ARG 61 5.644 -4.674 -0.789 447 HA ARG 61 HA ARG 61 7.593 -6.265 -2.307 448 HB2 ARG 61 1HB ARG 61 8.582 -4.309 -0.913 449 HB3 ARG 61 2HB ARG 61 8.209 -5.321 0.476 450 HG2 ARG 61 1HG ARG 61 9.754 -6.502 -1.774 451 HG3 ARG 61 2HG ARG 61 10.566 -5.393 -0.667 452 HD2 ARG 61 1HD ARG 61 9.121 -7.939 0.056 453 HD3 ARG 61 2HD ARG 61 10.863 -7.667 0.093 454 HE ARG 61 HE ARG 61 8.917 -6.795 2.045 455 HH11 ARG 61 1HH1 ARG 61 12.135 -6.411 0.774 456 HH12 ARG 61 2HH1 ARG 61 12.765 -5.707 2.226 457 HH21 ARG 61 1HH2 ARG 61 9.735 -5.868 3.963 458 HH22 ARG 61 2HH2 ARG 61 11.399 -5.399 4.040 459 H THR 62 H THR 62 7.739 -8.386 -1.736 460 HA THR 62 HA THR 62 5.659 -9.754 -0.662 461 HB THR 62 HB THR 62 7.434 -11.528 0.018 462 HG1 THR 62 1HG THR 62 9.050 -9.726 -1.491 463 HG21 THR 62 3HG2 THR 62 7.417 -12.353 -2.143 464 HG22 THR 62 1HG2 THR 62 7.615 -10.757 -2.866 465 HG23 THR 62 2HG2 THR 62 6.058 -11.230 -2.185 466 H SER 63 H SER 63 4.838 -10.191 1.298 467 HA SER 63 HA SER 63 6.022 -8.874 3.598 468 HB2 SER 63 1HB SER 63 3.365 -10.023 2.927 469 HB3 SER 63 2HB SER 63 3.830 -10.035 4.628 470 HG SER 63 HG SER 63 3.355 -7.871 2.920 471 H PHE 64 H PHE 64 6.871 -9.860 5.369 472 HA PHE 64 HA PHE 64 7.860 -11.468 6.637 473 HB2 PHE 64 1HB PHE 64 5.739 -13.225 5.385 474 HB3 PHE 64 2HB PHE 64 6.759 -13.693 6.742 475 HD1 PHE 64 2HD PHE 64 6.719 -11.957 8.754 476 HD2 PHE 64 1HD PHE 64 3.647 -12.419 5.845 477 HE1 PHE 64 2HE PHE 64 5.098 -10.964 10.315 478 HE2 PHE 64 1HE PHE 64 2.020 -11.425 7.401 479 HZ PHE 64 HZ PHE 64 2.744 -10.697 9.639 480 H SER 65 H SER 65 8.740 -10.935 3.874 481 HA SER 65 HA SER 65 9.790 -13.518 3.010 482 HB2 SER 65 1HB SER 65 10.261 -12.527 0.950 483 HB3 SER 65 2HB SER 65 8.812 -11.660 1.459 484 HG SER 65 HG SER 65 10.537 -10.176 2.449 485 H ALA 66 H ALA 66 12.176 -13.063 1.977 486 HA ALA 66 HA ALA 66 13.834 -11.675 3.942 487 HB1 ALA 66 3HB ALA 66 13.974 -13.720 4.982 488 HB2 ALA 66 1HB ALA 66 13.825 -14.620 3.472 489 HB3 ALA 66 2HB ALA 66 15.341 -13.810 3.871 490 H SER 67 H SER 67 15.521 -10.671 3.030 491 HA SER 67 HA SER 67 16.955 -9.893 1.445 492 HB2 SER 67 1HB SER 67 16.839 -12.733 0.401 493 HB3 SER 67 2HB SER 67 18.084 -11.540 0.032 494 HG SER 67 HG SER 67 17.503 -12.354 2.678 495 H ALA 68 H ALA 68 14.288 -9.368 0.964 496 HA ALA 68 HA ALA 68 13.978 -9.762 -1.935 497 HB1 ALA 68 3HB ALA 68 11.600 -8.839 -1.341 498 HB2 ALA 68 1HB ALA 68 12.012 -10.526 -1.031 499 HB3 ALA 68 2HB ALA 68 12.034 -9.355 0.288 500 H LYS 69 H LYS 69 13.102 -7.933 -3.171 501 HA LYS 69 HA LYS 69 14.184 -5.381 -2.175 502 HB2 LYS 69 1HB LYS 69 14.087 -6.635 -4.883 503 HB3 LYS 69 2HB LYS 69 14.026 -4.880 -4.773 504 HG2 LYS 69 1HG LYS 69 16.161 -6.440 -3.369 505 HG3 LYS 69 2HG LYS 69 16.306 -6.016 -5.076 506 HD2 LYS 69 1HD LYS 69 15.873 -3.623 -4.387 507 HD3 LYS 69 2HD LYS 69 16.069 -4.158 -2.717 508 HE2 LYS 69 1HE LYS 69 18.127 -4.466 -4.901 509 HE3 LYS 69 2HE LYS 69 18.140 -3.212 -3.662 510 HZ1 LYS 69 3HZ LYS 69 18.414 -6.137 -3.246 511 HZ2 LYS 69 1HZ LYS 69 18.227 -5.022 -1.989 512 HZ3 LYS 69 2HZ LYS 69 19.593 -4.953 -2.983 513 H TYR 70 H TYR 70 13.035 -3.441 -2.646 514 HA TYR 70 HA TYR 70 10.148 -3.844 -2.675 515 HB2 TYR 70 1HB TYR 70 11.982 -1.699 -1.752 516 HB3 TYR 70 2HB TYR 70 10.390 -1.196 -2.309 517 HD1 TYR 70 2HD TYR 70 12.184 -3.247 0.180 518 HD2 TYR 70 1HD TYR 70 8.438 -1.615 -1.005 519 HE1 TYR 70 2HE TYR 70 11.236 -3.851 2.367 520 HE2 TYR 70 1HE TYR 70 7.480 -2.213 1.180 521 HH TYR 70 HH TYR 70 9.478 -3.540 3.761 522 H LYS 71 H LYS 71 8.764 -2.955 -4.170 523 HA LYS 71 HA LYS 71 10.033 -1.992 -6.643 524 HB2 LYS 71 1HB LYS 71 8.650 -4.118 -6.687 525 HB3 LYS 71 2HB LYS 71 7.245 -3.112 -6.361 526 HG2 LYS 71 1HG LYS 71 7.357 -2.066 -8.436 527 HG3 LYS 71 2HG LYS 71 9.038 -2.544 -8.690 528 HD2 LYS 71 1HD LYS 71 7.003 -4.691 -8.392 529 HD3 LYS 71 2HD LYS 71 7.030 -3.780 -9.903 530 HE2 LYS 71 1HE LYS 71 9.623 -4.272 -9.729 531 HE3 LYS 71 2HE LYS 71 9.059 -5.625 -8.749 532 HZ1 LYS 71 3HZ LYS 71 7.568 -5.339 -11.172 533 HZ2 LYS 71 1HZ LYS 71 8.357 -6.699 -10.547 534 HZ3 LYS 71 2HZ LYS 71 9.217 -5.571 -11.469 535 H SER 72 H SER 72 8.575 -0.511 -7.962 536 HA SER 72 HA SER 72 6.721 1.139 -6.517 537 HB2 SER 72 1HB SER 72 8.436 2.378 -5.615 538 HB3 SER 72 2HB SER 72 9.541 2.014 -6.940 539 HG SER 72 HG SER 72 8.620 4.234 -6.781 540 H GLU 73 H GLU 73 5.631 2.648 -7.863 541 HA GLU 73 HA GLU 73 6.299 2.730 -10.684 542 HB2 GLU 73 1HB GLU 73 4.010 1.188 -9.580 543 HB3 GLU 73 2HB GLU 73 3.715 2.130 -11.035 544 HG2 GLU 73 1HG GLU 73 5.596 -0.161 -10.634 545 HG3 GLU 73 2HG GLU 73 4.298 0.016 -11.813 546 H ASP 74 H ASP 74 5.342 4.443 -11.789 547 HA ASP 74 HA ASP 74 4.118 6.460 -10.044 548 HB2 ASP 74 1HB ASP 74 5.033 8.106 -11.397 549 HB3 ASP 74 2HB ASP 74 6.256 6.843 -11.503 550 H THR 75 H THR 75 2.031 6.916 -10.221 551 HA THR 75 HA THR 75 0.676 6.481 -12.787 552 HB THR 75 HB THR 75 0.206 4.495 -11.431 553 HG1 THR 75 1HG THR 75 -2.152 6.056 -11.372 554 HG21 THR 75 3HG2 THR 75 -1.500 5.728 -9.457 555 HG22 THR 75 1HG2 THR 75 0.158 6.304 -9.298 556 HG23 THR 75 2HG2 THR 75 -0.185 4.575 -9.236 557 H THR 76 H THR 76 -0.771 8.024 -13.315 558 HA THR 76 HA THR 76 -1.003 10.307 -11.530 559 HB THR 76 HB THR 76 -2.165 11.377 -13.490 560 HG1 THR 76 1HG THR 76 -1.587 10.056 -15.511 561 HG21 THR 76 3HG2 THR 76 -0.173 12.060 -14.313 562 HG22 THR 76 1HG2 THR 76 0.384 10.416 -14.618 563 HG23 THR 76 2HG2 THR 76 0.479 11.092 -12.991 564 H SER 77 H SER 77 -2.385 7.942 -10.725 565 HA SER 77 HA SER 77 -5.079 9.043 -10.557 566 HB2 SER 77 1HB SER 77 -4.491 6.240 -11.535 567 HB3 SER 77 2HB SER 77 -6.087 6.806 -11.043 568 HG SER 77 HG SER 77 -6.147 8.162 -12.759 569 H LEU 78 H LEU 78 -6.401 7.868 -8.910 570 HA LEU 78 HA LEU 78 -4.740 7.323 -6.592 571 HB2 LEU 78 1HB LEU 78 -7.731 7.554 -6.889 572 HB3 LEU 78 2HB LEU 78 -6.881 7.341 -5.360 573 HG LEU 78 HG LEU 78 -6.458 9.718 -7.162 574 HD11 LEU 78 1HD1 LEU 78 -8.766 9.763 -6.551 575 HD12 LEU 78 2HD1 LEU 78 -7.912 10.925 -5.537 576 HD13 LEU 78 3HD1 LEU 78 -8.387 9.361 -4.876 577 HD21 LEU 78 3HD2 LEU 78 -5.935 9.417 -4.213 578 HD22 LEU 78 1HD2 LEU 78 -5.392 10.703 -5.292 579 HD23 LEU 78 2HD2 LEU 78 -4.720 9.079 -5.447 580 H SER 79 H SER 79 -4.787 5.367 -8.730 581 HA SER 79 HA SER 79 -5.248 3.028 -7.140 582 HB2 SER 79 1HB SER 79 -6.826 1.967 -8.784 583 HB3 SER 79 2HB SER 79 -7.528 3.302 -7.870 584 HG SER 79 HG SER 79 -6.328 3.788 -10.364 585 H TYR 80 H TYR 80 -4.142 1.248 -7.901 586 HA TYR 80 HA TYR 80 -2.898 1.394 -10.538 587 HB2 TYR 80 1HB TYR 80 -1.220 2.434 -9.179 588 HB3 TYR 80 2HB TYR 80 -1.372 1.194 -7.939 589 HD1 TYR 80 2HD TYR 80 -0.414 -1.035 -8.285 590 HD2 TYR 80 1HD TYR 80 0.071 2.047 -11.178 591 HE1 TYR 80 2HE TYR 80 1.394 -2.323 -9.346 592 HE2 TYR 80 1HE TYR 80 1.879 0.767 -12.248 593 HH TYR 80 HH TYR 80 2.399 -2.083 -12.188 594 H THR 81 H THR 81 -2.382 -0.588 -11.423 595 HA THR 81 HA THR 81 -3.428 -2.910 -9.957 596 HB THR 81 HB THR 81 -2.851 -2.840 -12.912 597 HG1 THR 81 1HG THR 81 -4.959 -1.699 -11.482 598 HG21 THR 81 3HG2 THR 81 -4.030 -4.722 -11.021 599 HG22 THR 81 1HG2 THR 81 -3.397 -4.998 -12.643 600 HG23 THR 81 2HG2 THR 81 -5.051 -4.424 -12.427 601 H ALA 82 H ALA 82 -1.921 -4.102 -8.999 602 HA ALA 82 HA ALA 82 0.809 -4.123 -9.979 603 HB1 ALA 82 3HB ALA 82 -0.137 -5.795 -7.691 604 HB2 ALA 82 1HB ALA 82 1.423 -5.009 -7.938 605 HB3 ALA 82 2HB ALA 82 0.008 -4.047 -7.507 606 H THR 83 H THR 83 0.918 -5.307 -11.834 607 HA THR 83 HA THR 83 -0.234 -7.998 -11.861 608 HB THR 83 HB THR 83 0.328 -8.011 -14.266 609 HG1 THR 83 1HG THR 83 0.937 -5.275 -14.180 610 HG21 THR 83 3HG2 THR 83 -1.835 -7.281 -14.024 611 HG22 THR 83 1HG2 THR 83 -1.123 -5.874 -14.813 612 HG23 THR 83 2HG2 THR 83 -1.369 -5.876 -13.066 613 H GLY 84 H GLY 84 1.060 -9.799 -12.667 614 HA2 GLY 84 1HA GLY 84 2.954 -11.104 -12.750 615 HA3 GLY 84 2HA GLY 84 3.898 -9.624 -12.831 616 H LEU 85 H LEU 85 1.779 -11.107 -10.374 617 HA LEU 85 HA LEU 85 3.948 -10.702 -8.424 618 HB2 LEU 85 1HB LEU 85 1.123 -11.126 -7.585 619 HB3 LEU 85 2HB LEU 85 2.411 -10.231 -6.782 620 HG LEU 85 HG LEU 85 1.206 -9.210 -9.328 621 HD11 LEU 85 1HD1 LEU 85 -0.781 -9.179 -8.275 622 HD12 LEU 85 2HD1 LEU 85 -0.095 -7.783 -7.445 623 HD13 LEU 85 3HD1 LEU 85 -0.060 -9.370 -6.677 624 HD21 LEU 85 3HD2 LEU 85 3.215 -8.120 -8.595 625 HD22 LEU 85 1HD2 LEU 85 2.575 -7.942 -6.961 626 HD23 LEU 85 2HD2 LEU 85 1.850 -7.044 -8.294 627 H LYS 86 H LYS 86 3.269 -12.254 -6.383 628 HA LYS 86 HA LYS 86 3.487 -14.950 -7.503 629 HB2 LYS 86 1HB LYS 86 5.217 -14.108 -5.901 630 HB3 LYS 86 2HB LYS 86 3.971 -14.041 -4.661 631 HG2 LYS 86 1HG LYS 86 3.608 -16.517 -5.118 632 HG3 LYS 86 2HG LYS 86 5.126 -16.455 -6.017 633 HD2 LYS 86 1HD LYS 86 4.878 -15.503 -3.172 634 HD3 LYS 86 2HD LYS 86 5.282 -17.170 -3.589 635 HE2 LYS 86 1HE LYS 86 7.381 -16.283 -3.373 636 HE3 LYS 86 2HE LYS 86 7.099 -16.005 -5.091 637 HZ1 LYS 86 3HZ LYS 86 7.114 -14.075 -2.877 638 HZ2 LYS 86 1HZ LYS 86 6.162 -13.754 -4.238 639 HZ3 LYS 86 2HZ LYS 86 7.832 -13.962 -4.405 640 HA PRO 87 HA PRO 87 -0.680 -15.860 -6.325 641 HB2 PRO 87 1HB PRO 87 -0.541 -18.555 -6.622 642 HB3 PRO 87 2HB PRO 87 -0.633 -17.441 -7.992 643 HG2 PRO 87 1HG PRO 87 1.760 -18.802 -6.813 644 HG3 PRO 87 2HG PRO 87 1.331 -18.571 -8.519 645 HD2 PRO 87 1HD PRO 87 3.144 -17.012 -7.248 646 HD3 PRO 87 2HD PRO 87 2.102 -16.399 -8.549 647 H ASN 88 H ASN 88 -1.845 -16.851 -4.626 648 HA ASN 88 HA ASN 88 -2.156 -17.295 -2.407 649 HB2 ASN 88 1HB ASN 88 -1.214 -19.388 -1.653 650 HB3 ASN 88 2HB ASN 88 -1.639 -19.546 -3.355 651 HD21 ASN 88 1HD2 ASN 88 -0.100 -20.053 -4.796 652 HD22 ASN 88 2HD2 ASN 88 1.570 -20.272 -4.410 653 H THR 89 H THR 89 -0.353 -15.154 -2.908 654 HA THR 89 HA THR 89 1.179 -15.253 -0.413 655 HB THR 89 HB THR 89 2.424 -13.985 -2.834 656 HG1 THR 89 1HG THR 89 2.688 -16.698 -1.994 657 HG21 THR 89 3HG2 THR 89 4.402 -14.024 -1.591 658 HG22 THR 89 1HG2 THR 89 3.801 -15.269 -0.496 659 HG23 THR 89 2HG2 THR 89 3.172 -13.624 -0.392 660 H MET 90 H MET 90 1.276 -13.336 0.689 661 HA MET 90 HA MET 90 -0.171 -11.073 -0.522 662 HB2 MET 90 1HB MET 90 -1.420 -12.028 1.326 663 HB3 MET 90 2HB MET 90 -0.012 -11.919 2.375 664 HG2 MET 90 1HG MET 90 -0.088 -9.445 2.097 665 HG3 MET 90 2HG MET 90 -1.607 -9.645 1.226 666 HE1 MET 90 3HE MET 90 0.292 -10.180 4.563 667 HE2 MET 90 1HE MET 90 -0.975 -10.715 5.668 668 HE3 MET 90 2HE MET 90 -0.423 -11.782 4.377 669 H TYR 91 H TYR 91 0.576 -8.964 -0.105 670 HA TYR 91 HA TYR 91 3.226 -8.736 1.133 671 HB2 TYR 91 1HB TYR 91 2.820 -7.098 -1.292 672 HB3 TYR 91 2HB TYR 91 4.266 -7.916 -0.713 673 HD1 TYR 91 1HD TYR 91 3.883 -10.643 -0.726 674 HD2 TYR 91 2HD TYR 91 2.078 -7.817 -3.344 675 HE1 TYR 91 1HE TYR 91 3.557 -12.413 -2.402 676 HE2 TYR 91 2HE TYR 91 1.746 -9.579 -5.027 677 HH TYR 91 HH TYR 91 1.711 -11.858 -5.325 678 H GLU 92 H GLU 92 3.817 -6.218 1.038 679 HA GLU 92 HA GLU 92 1.492 -4.846 2.206 680 HB2 GLU 92 1HB GLU 92 2.851 -3.917 3.766 681 HB3 GLU 92 2HB GLU 92 3.861 -5.306 3.391 682 HG2 GLU 92 1HG GLU 92 5.016 -3.839 1.686 683 HG3 GLU 92 2HG GLU 92 4.161 -2.483 2.419 684 H PHE 93 H PHE 93 0.653 -3.159 1.181 685 HA PHE 93 HA PHE 93 2.246 -1.887 -0.946 686 HB2 PHE 93 1HB PHE 93 -0.760 -2.134 -0.705 687 HB3 PHE 93 2HB PHE 93 0.089 -1.299 -2.001 688 HD1 PHE 93 2HD PHE 93 -0.021 -4.639 -0.346 689 HD2 PHE 93 1HD PHE 93 0.492 -2.439 -3.953 690 HE1 PHE 93 2HE PHE 93 0.113 -6.746 -1.608 691 HE2 PHE 93 1HE PHE 93 0.625 -4.543 -5.221 692 HZ PHE 93 HZ PHE 93 0.437 -6.701 -4.049 693 H SER 94 H SER 94 1.844 0.407 -1.323 694 HA SER 94 HA SER 94 0.620 1.927 0.816 695 HB2 SER 94 1HB SER 94 3.558 1.645 0.518 696 HB3 SER 94 2HB SER 94 2.955 3.277 0.803 697 HG SER 94 HG SER 94 1.854 2.428 2.650 698 H VAL 95 H VAL 95 1.088 4.382 0.367 699 HA VAL 95 HA VAL 95 1.336 4.958 -2.479 700 HB VAL 95 HB VAL 95 -1.127 5.732 -0.909 701 HG11 VAL 95 1HG1 VAL 95 -1.681 7.187 -2.528 702 HG12 VAL 95 2HG1 VAL 95 0.045 7.176 -2.892 703 HG13 VAL 95 3HG1 VAL 95 -1.058 6.152 -3.812 704 HG21 VAL 95 3HG2 VAL 95 -0.982 3.979 -3.351 705 HG22 VAL 95 1HG2 VAL 95 -0.954 3.337 -1.708 706 HG23 VAL 95 2HG2 VAL 95 -2.356 4.244 -2.277 707 H MET 96 H MET 96 2.165 6.946 -2.891 708 HA MET 96 HA MET 96 2.253 8.917 -0.729 709 HB2 MET 96 1HB MET 96 4.659 9.323 -1.149 710 HB3 MET 96 2HB MET 96 4.344 7.715 -0.511 711 HG2 MET 96 1HG MET 96 4.659 6.720 -2.649 712 HG3 MET 96 2HG MET 96 4.716 8.296 -3.435 713 HE1 MET 96 3HE MET 96 6.612 10.100 -1.757 714 HE2 MET 96 1HE MET 96 8.151 9.710 -2.526 715 HE3 MET 96 2HE MET 96 6.690 9.854 -3.503 716 H VAL 97 H VAL 97 3.670 10.896 -1.787 717 HA VAL 97 HA VAL 97 2.854 11.341 -4.547 718 HB VAL 97 HB VAL 97 0.920 12.107 -3.228 719 HG11 VAL 97 1HG1 VAL 97 1.778 14.475 -2.064 720 HG12 VAL 97 2HG1 VAL 97 1.313 12.995 -1.223 721 HG13 VAL 97 3HG1 VAL 97 3.007 13.295 -1.611 722 HG21 VAL 97 3HG2 VAL 97 0.754 14.340 -4.201 723 HG22 VAL 97 1HG2 VAL 97 2.496 14.358 -4.475 724 HG23 VAL 97 2HG2 VAL 97 1.478 13.208 -5.343 725 H THR 98 H THR 98 4.082 12.864 -5.615 726 HA THR 98 HA THR 98 6.290 14.051 -4.062 727 HB THR 98 HB THR 98 6.381 13.065 -6.920 728 HG1 THR 98 1HG THR 98 7.906 12.063 -4.758 729 HG21 THR 98 3HG2 THR 98 8.383 14.058 -7.174 730 HG22 THR 98 1HG2 THR 98 8.884 13.685 -5.525 731 HG23 THR 98 2HG2 THR 98 7.866 15.090 -5.841 732 H LYS 99 H LYS 99 5.460 16.084 -3.784 733 HA LYS 99 HA LYS 99 5.006 17.636 -6.247 734 HB2 LYS 99 1HB LYS 99 2.912 17.205 -4.931 735 HB3 LYS 99 2HB LYS 99 3.626 18.108 -3.601 736 HG2 LYS 99 1HG LYS 99 3.653 20.119 -4.883 737 HG3 LYS 99 2HG LYS 99 3.182 19.253 -6.347 738 HD2 LYS 99 1HD LYS 99 1.143 20.068 -5.729 739 HD3 LYS 99 2HD LYS 99 1.127 18.554 -4.823 740 HE2 LYS 99 1HE LYS 99 0.408 20.321 -3.370 741 HE3 LYS 99 2HE LYS 99 2.008 19.790 -2.856 742 HZ1 LYS 99 3HZ LYS 99 2.609 21.908 -2.980 743 HZ2 LYS 99 1HZ LYS 99 1.164 22.360 -3.734 744 HZ3 LYS 99 2HZ LYS 99 2.464 21.806 -4.663 745 H ASN 100 H ASN 100 5.755 19.773 -6.264 746 HA ASN 100 HA ASN 100 7.078 21.547 -5.718 747 HB2 ASN 100 1HB ASN 100 5.858 21.114 -3.412 748 HB3 ASN 100 2HB ASN 100 7.462 20.581 -2.915 749 HD21 ASN 100 1HD2 ASN 100 7.217 22.408 -1.426 750 HD22 ASN 100 2HD2 ASN 100 7.682 23.981 -1.970 751 H ARG 101 H ARG 101 8.258 19.437 -6.947 752 HA ARG 101 HA ARG 101 10.230 18.350 -7.329 753 HB2 ARG 101 1HB ARG 101 12.179 19.705 -7.158 754 HB3 ARG 101 2HB ARG 101 10.841 20.788 -7.515 755 HG2 ARG 101 1HG ARG 101 10.901 21.771 -5.453 756 HG3 ARG 101 2HG ARG 101 11.582 20.343 -4.671 757 HD2 ARG 101 1HD ARG 101 13.225 21.748 -6.712 758 HD3 ARG 101 2HD ARG 101 13.030 22.510 -5.134 759 HE ARG 101 HE ARG 101 13.747 19.984 -4.504 760 HH11 ARG 101 1HH1 ARG 101 15.098 22.383 -6.634 761 HH12 ARG 101 2HH1 ARG 101 16.728 21.830 -6.436 762 HH21 ARG 101 1HH2 ARG 101 15.888 19.245 -4.236 763 HH22 ARG 101 2HH2 ARG 101 17.176 20.044 -5.073 764 H ARG 102 H ARG 102 8.861 17.678 -4.848 765 HA ARG 102 HA ARG 102 11.105 16.399 -3.506 766 HB2 ARG 102 1HB ARG 102 10.567 17.148 -1.323 767 HB3 ARG 102 2HB ARG 102 10.617 18.589 -2.330 768 HG2 ARG 102 1HG ARG 102 8.315 18.865 -2.274 769 HG3 ARG 102 2HG ARG 102 8.028 17.186 -1.813 770 HD2 ARG 102 1HD ARG 102 7.629 18.420 0.140 771 HD3 ARG 102 2HD ARG 102 9.245 17.748 0.354 772 HE ARG 102 HE ARG 102 9.732 20.177 -0.724 773 HH11 ARG 102 1HH1 ARG 102 7.828 19.109 1.988 774 HH12 ARG 102 2HH1 ARG 102 8.055 20.571 2.889 775 HH21 ARG 102 1HH2 ARG 102 10.037 22.107 0.453 776 HH22 ARG 102 2HH2 ARG 102 9.311 22.276 2.015 777 H SER 103 H SER 103 10.539 14.523 -2.357 778 HA SER 103 HA SER 103 7.966 13.399 -3.170 779 HB2 SER 103 1HB SER 103 10.623 12.279 -2.444 780 HB3 SER 103 2HB SER 103 9.209 11.300 -2.051 781 HG SER 103 HG SER 103 9.850 10.778 -4.116 782 H SER 104 H SER 104 6.588 12.326 -1.697 783 HA SER 104 HA SER 104 6.754 13.409 1.022 784 HB2 SER 104 1HB SER 104 4.685 13.953 -0.066 785 HB3 SER 104 2HB SER 104 4.442 12.280 -0.565 786 HG SER 104 HG SER 104 3.897 11.734 1.456 787 H THR 105 H THR 105 5.436 11.820 2.595 788 HA THR 105 HA THR 105 7.043 9.395 2.659 789 HB THR 105 HB THR 105 6.779 10.816 4.698 790 HG1 THR 105 1HG THR 105 7.155 9.000 5.704 791 HG21 THR 105 3HG2 THR 105 4.651 10.541 5.976 792 HG22 THR 105 1HG2 THR 105 3.935 9.818 4.537 793 HG23 THR 105 2HG2 THR 105 4.482 11.494 4.502 794 H TRP 106 H TRP 106 6.008 7.330 3.295 795 HA TRP 106 HA TRP 106 3.700 6.846 1.608 796 HB2 TRP 106 1HB TRP 106 5.269 4.872 3.279 797 HB3 TRP 106 2HB TRP 106 4.147 4.495 1.975 798 HD1 TRP 106 HD TRP 106 7.692 5.792 2.593 799 HE1 TRP 106 1HE TRP 106 9.013 5.659 0.388 800 HE3 TRP 106 3HE TRP 106 3.878 4.516 -0.562 801 HZ2 TRP 106 2HZ TRP 106 8.505 5.090 -2.329 802 HZ3 TRP 106 3HZ TRP 106 4.379 4.196 -2.950 803 HH2 TRP 106 HH TRP 106 6.645 4.478 -3.813 804 H SER 107 H SER 107 1.673 6.423 2.274 805 HA SER 107 HA SER 107 1.030 6.908 5.047 806 HB2 SER 107 1HB SER 107 -0.447 7.910 3.465 807 HB3 SER 107 2HB SER 107 -0.656 6.391 2.595 808 HG SER 107 HG SER 107 -1.784 5.580 4.372 809 H MET 108 H MET 108 -0.702 5.455 6.062 810 HA MET 108 HA MET 108 0.248 3.098 6.885 811 HB2 MET 108 1HB MET 108 -2.113 2.327 7.215 812 HB3 MET 108 2HB MET 108 -1.786 3.945 7.821 813 HG2 MET 108 1HG MET 108 -3.099 4.952 6.259 814 HG3 MET 108 2HG MET 108 -2.834 3.687 5.061 815 HE1 MET 108 3HE MET 108 -3.581 1.506 5.154 816 HE2 MET 108 1HE MET 108 -4.866 0.807 6.140 817 HE3 MET 108 2HE MET 108 -5.271 1.765 4.716 818 H THR 109 H THR 109 0.696 1.140 6.097 819 HA THR 109 HA THR 109 0.259 0.615 3.294 820 HB THR 109 HB THR 109 1.691 -0.883 5.478 821 HG1 THR 109 1HG THR 109 3.477 -0.375 4.186 822 HG21 THR 109 3HG2 THR 109 2.316 -2.132 3.074 823 HG22 THR 109 1HG2 THR 109 0.562 -1.965 3.037 824 HG23 THR 109 2HG2 THR 109 1.341 -2.799 4.383 825 H ALA 110 H ALA 110 -1.116 -0.832 2.388 826 HA ALA 110 HA ALA 110 -3.106 -2.043 4.176 827 HB1 ALA 110 3HB ALA 110 -3.510 -0.483 2.010 828 HB2 ALA 110 1HB ALA 110 -3.593 -2.084 1.274 829 HB3 ALA 110 2HB ALA 110 -4.674 -1.667 2.605 830 H HIS 111 H HIS 111 -3.727 -4.209 3.952 831 HA HIS 111 HA HIS 111 -1.701 -5.903 2.660 832 HB2 HIS 111 1HB HIS 111 -3.450 -6.272 5.068 833 HB3 HIS 111 2HB HIS 111 -2.826 -7.680 4.214 834 HD1 HIS 111 1HD HIS 111 0.016 -6.494 3.592 835 HD2 HIS 111 2HD HIS 111 -1.859 -6.458 7.299 836 HE1 HIS 111 1HE HIS 111 1.869 -6.299 5.280 837 HE2 HIS 111 2HE HIS 111 0.717 -6.365 7.519 838 H ALA 112 H ALA 112 -2.374 -7.810 1.545 839 HA ALA 112 HA ALA 112 -5.065 -8.460 1.020 840 HB1 ALA 112 3HB ALA 112 -5.317 -7.666 -1.254 841 HB2 ALA 112 1HB ALA 112 -5.031 -6.305 -0.168 842 HB3 ALA 112 2HB ALA 112 -3.726 -6.907 -1.191 843 H THR 113 H THR 113 -4.814 -10.581 0.815 844 HA THR 113 HA THR 113 -2.419 -11.701 -0.366 845 HB THR 113 HB THR 113 -4.764 -13.377 0.443 846 HG1 THR 113 1HG THR 113 -2.948 -12.762 2.445 847 HG21 THR 113 3HG2 THR 113 -2.492 -14.482 1.475 848 HG22 THR 113 1HG2 THR 113 -1.878 -13.697 0.022 849 HG23 THR 113 2HG2 THR 113 -3.179 -14.881 -0.099 850 H THR 114 H THR 114 -2.390 -13.139 -2.141 851 HA THR 114 HA THR 114 -4.431 -12.529 -4.139 852 HB THR 114 HB THR 114 -2.822 -13.717 -5.705 853 HG1 THR 114 1HG THR 114 -1.128 -14.628 -4.838 854 HG21 THR 114 3HG2 THR 114 -1.394 -11.806 -5.930 855 HG22 THR 114 1HG2 THR 114 -1.656 -11.344 -4.249 856 HG23 THR 114 2HG2 THR 114 -2.979 -11.233 -5.411 857 H TYR 115 H TYR 115 -5.389 -14.185 -5.436 858 HA TYR 115 HA TYR 115 -6.184 -16.470 -3.902 859 HB2 TYR 115 1HB TYR 115 -6.767 -15.946 -6.818 860 HB3 TYR 115 2HB TYR 115 -7.684 -16.956 -5.705 861 HD1 TYR 115 2HD TYR 115 -9.185 -15.961 -4.070 862 HD2 TYR 115 1HD TYR 115 -6.976 -13.527 -6.773 863 HE1 TYR 115 2HE TYR 115 -10.632 -14.049 -3.523 864 HE2 TYR 115 1HE TYR 115 -8.417 -11.608 -6.232 865 HH TYR 115 HH TYR 115 -11.076 -11.529 -5.230 866 H GLU 116 H GLU 116 -5.760 -18.630 -4.281 867 HA GLU 116 HA GLU 116 -3.201 -19.326 -5.145 868 HB2 GLU 116 1HB GLU 116 -4.972 -20.609 -3.681 869 HB3 GLU 116 2HB GLU 116 -5.413 -21.337 -5.219 870 HG2 GLU 116 1HG GLU 116 -3.052 -22.037 -5.506 871 HG3 GLU 116 2HG GLU 116 -2.716 -21.420 -3.889 872 H ALA 117 H ALA 117 -2.343 -19.934 -7.049 873 HA ALA 117 HA ALA 117 -3.838 -19.444 -9.447 874 HB1 ALA 117 3HB ALA 117 -1.118 -20.699 -9.380 875 HB2 ALA 117 1HB ALA 117 -1.819 -19.626 -10.592 876 HB3 ALA 117 2HB ALA 117 -1.345 -18.989 -9.017 877 H SER 118 H SER 118 -5.193 -21.411 -8.211 878 HA SER 118 HA SER 118 -4.670 -23.732 -9.936 879 HB2 SER 118 1HB SER 118 -3.884 -24.418 -7.772 880 HB3 SER 118 2HB SER 118 -5.329 -23.784 -6.985 881 HG SER 118 HG SER 118 -5.159 -26.163 -7.490 882 H GLY 119 H GLY 119 -6.301 -23.178 -11.358 883 HA2 GLY 119 1HA GLY 119 -8.835 -22.237 -10.779 884 HA3 GLY 119 2HA GLY 119 -8.446 -23.225 -12.180 885 HA PRO 120 HA PRO 120 -10.554 -25.693 -8.540 886 HB2 PRO 120 1HB PRO 120 -12.967 -24.534 -8.088 887 HB3 PRO 120 2HB PRO 120 -11.519 -24.131 -7.158 888 HG2 PRO 120 1HG PRO 120 -12.761 -22.672 -9.458 889 HG3 PRO 120 2HG PRO 120 -12.094 -22.021 -7.950 890 HD2 PRO 120 1HD PRO 120 -10.722 -21.988 -10.284 891 HD3 PRO 120 2HD PRO 120 -9.921 -22.151 -8.708 892 H SER 121 H SER 121 -12.753 -26.851 -8.672 893 HA SER 121 HA SER 121 -13.099 -27.783 -11.322 894 HB2 SER 121 1HB SER 121 -14.995 -29.096 -10.352 895 HB3 SER 121 2HB SER 121 -13.486 -29.277 -9.459 896 HG SER 121 HG SER 121 -15.105 -28.914 -7.981 897 H SER 122 H SER 122 -13.719 -26.113 -12.667 898 HA SER 122 HA SER 122 -15.582 -24.150 -12.281 899 HB2 SER 122 1HB SER 122 -14.916 -25.700 -14.787 900 HB3 SER 122 2HB SER 122 -15.982 -24.295 -14.790 901 HG SER 122 HG SER 122 -13.228 -24.440 -14.241 902 H GLY 123 H GLY 123 -17.462 -24.565 -11.244 903 HA2 GLY 123 1HA GLY 123 -19.282 -26.504 -12.533 904 HA3 GLY 123 2HA GLY 123 -19.197 -26.309 -10.788 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -10.374 -28.928 21.981 2 HA2 GLY 1 1HA GLY 1 -9.621 -26.798 20.901 3 HA3 GLY 1 2HA GLY 1 -10.587 -26.521 22.343 4 H SER 2 H SER 2 -9.096 -24.477 21.753 5 HA SER 2 HA SER 2 -7.270 -24.276 23.934 6 HB2 SER 2 1HB SER 2 -5.983 -25.453 21.992 7 HB3 SER 2 2HB SER 2 -5.949 -23.844 21.271 8 HG SER 2 HG SER 2 -5.193 -24.087 23.946 9 H SER 3 H SER 3 -6.068 -22.078 23.793 10 HA SER 3 HA SER 3 -8.084 -20.093 23.141 11 HB2 SER 3 1HB SER 3 -6.850 -18.592 24.505 12 HB3 SER 3 2HB SER 3 -6.756 -20.151 25.323 13 HG SER 3 HG SER 3 -4.678 -20.056 25.116 14 H GLY 4 H GLY 4 -7.291 -17.972 22.194 15 HA2 GLY 4 1HA GLY 4 -5.749 -18.604 19.777 16 HA3 GLY 4 2HA GLY 4 -6.844 -17.243 19.972 17 H SER 5 H SER 5 -5.253 -15.810 19.193 18 HA SER 5 HA SER 5 -3.677 -14.594 21.190 19 HB2 SER 5 1HB SER 5 -2.289 -16.661 20.645 20 HB3 SER 5 2HB SER 5 -2.017 -15.943 19.057 21 HG SER 5 HG SER 5 -0.471 -15.523 20.925 22 H SER 6 H SER 6 -3.621 -12.516 20.669 23 HA SER 6 HA SER 6 -3.862 -11.779 17.829 24 HB2 SER 6 1HB SER 6 -4.837 -10.455 20.351 25 HB3 SER 6 2HB SER 6 -4.666 -9.543 18.851 26 HG SER 6 HG SER 6 -6.650 -11.157 19.587 27 H GLY 7 H GLY 7 -2.946 -9.509 17.383 28 HA2 GLY 7 1HA GLY 7 -0.272 -9.364 18.630 29 HA3 GLY 7 2HA GLY 7 -0.601 -8.952 16.954 30 H PHE 8 H PHE 8 -0.103 -6.847 16.822 31 HA PHE 8 HA PHE 8 -1.826 -4.916 17.964 32 HB2 PHE 8 1HB PHE 8 -0.225 -5.584 19.893 33 HB3 PHE 8 2HB PHE 8 0.983 -4.664 19.003 34 HD1 PHE 8 1HD PHE 8 -2.312 -4.430 20.662 35 HD2 PHE 8 2HD PHE 8 1.039 -2.319 19.103 36 HE1 PHE 8 1HE PHE 8 -3.145 -2.355 21.690 37 HE2 PHE 8 2HE PHE 8 0.213 -0.242 20.129 38 HZ PHE 8 HZ PHE 8 -1.881 -0.258 21.425 39 HA PRO 9 HA PRO 9 -0.291 -2.837 14.393 40 HB2 PRO 9 1HB PRO 9 -1.319 -0.375 14.894 41 HB3 PRO 9 2HB PRO 9 -2.308 -1.739 14.360 42 HG2 PRO 9 1HG PRO 9 -1.911 -0.652 17.121 43 HG3 PRO 9 2HG PRO 9 -3.407 -1.188 16.334 44 HD2 PRO 9 1HD PRO 9 -2.051 -2.737 18.093 45 HD3 PRO 9 2HD PRO 9 -2.967 -3.416 16.733 46 H THR 10 H THR 10 1.734 -2.192 14.069 47 HA THR 10 HA THR 10 2.936 -0.295 15.979 48 HB THR 10 HB THR 10 4.341 -2.531 14.505 49 HG1 THR 10 1HG THR 10 3.144 -3.233 16.333 50 HG21 THR 10 3HG2 THR 10 6.204 -1.338 14.784 51 HG22 THR 10 1HG2 THR 10 5.974 -1.473 16.526 52 HG23 THR 10 2HG2 THR 10 5.326 -0.082 15.657 53 H SER 11 H SER 11 3.090 1.619 15.012 54 HA SER 11 HA SER 11 3.555 1.755 12.129 55 HB2 SER 11 1HB SER 11 1.725 3.114 13.030 56 HB3 SER 11 2HB SER 11 2.851 3.932 14.114 57 HG SER 11 HG SER 11 2.842 5.277 12.450 58 H VAL 12 H VAL 12 5.310 2.757 11.204 59 HA VAL 12 HA VAL 12 7.629 3.075 12.954 60 HB VAL 12 HB VAL 12 8.868 3.243 10.727 61 HG11 VAL 12 1HG1 VAL 12 7.400 0.652 11.164 62 HG12 VAL 12 2HG1 VAL 12 9.027 0.886 10.522 63 HG13 VAL 12 3HG1 VAL 12 8.692 1.218 12.221 64 HG21 VAL 12 3HG2 VAL 12 6.388 3.529 9.662 65 HG22 VAL 12 1HG2 VAL 12 7.808 3.004 8.758 66 HG23 VAL 12 2HG2 VAL 12 6.677 1.810 9.395 67 HA PRO 13 HA PRO 13 7.437 7.482 12.771 68 HB2 PRO 13 1HB PRO 13 9.986 8.003 13.546 69 HB3 PRO 13 2HB PRO 13 8.733 7.456 14.667 70 HG2 PRO 13 1HG PRO 13 10.895 5.879 13.327 71 HG3 PRO 13 2HG PRO 13 10.331 5.801 15.006 72 HD2 PRO 13 1HD PRO 13 9.573 4.002 13.130 73 HD3 PRO 13 2HD PRO 13 8.512 4.492 14.467 74 H ASP 14 H ASP 14 7.200 7.609 10.461 75 HA ASP 14 HA ASP 14 9.489 7.553 8.742 76 HB2 ASP 14 1HB ASP 14 6.678 8.571 8.283 77 HB3 ASP 14 2HB ASP 14 7.907 8.433 7.029 78 H LEU 15 H LEU 15 9.950 9.483 7.290 79 HA LEU 15 HA LEU 15 10.952 11.590 8.830 80 HB2 LEU 15 1HB LEU 15 10.539 11.140 5.912 81 HB3 LEU 15 2HB LEU 15 10.997 12.747 6.474 82 HG LEU 15 HG LEU 15 12.983 11.625 7.595 83 HD11 LEU 15 1HD1 LEU 15 12.270 9.382 5.715 84 HD12 LEU 15 2HD1 LEU 15 12.050 9.331 7.463 85 HD13 LEU 15 3HD1 LEU 15 13.670 9.475 6.783 86 HD21 LEU 15 3HD2 LEU 15 12.582 11.907 4.648 87 HD22 LEU 15 1HD2 LEU 15 14.115 11.301 5.274 88 HD23 LEU 15 2HD2 LEU 15 13.537 12.897 5.752 89 H SER 16 H SER 16 10.409 13.895 8.649 90 HA SER 16 HA SER 16 7.491 14.268 8.609 91 HB2 SER 16 1HB SER 16 9.693 15.488 10.223 92 HB3 SER 16 2HB SER 16 8.246 16.446 9.907 93 HG SER 16 HG SER 16 8.598 14.293 11.563 94 H THR 17 H THR 17 6.770 15.176 6.809 95 HA THR 17 HA THR 17 8.308 17.398 5.640 96 HB THR 17 HB THR 17 7.458 16.645 3.386 97 HG1 THR 17 1HG THR 17 6.368 14.818 3.237 98 HG21 THR 17 3HG2 THR 17 9.142 14.785 3.188 99 HG22 THR 17 1HG2 THR 17 9.368 14.898 4.933 100 HG23 THR 17 2HG2 THR 17 9.758 16.275 3.902 101 HA PRO 18 HA PRO 18 4.573 19.708 5.798 102 HB2 PRO 18 1HB PRO 18 4.946 21.395 3.703 103 HB3 PRO 18 2HB PRO 18 5.836 21.540 5.223 104 HG2 PRO 18 1HG PRO 18 6.694 20.301 2.637 105 HG3 PRO 18 2HG PRO 18 7.610 21.353 3.731 106 HD2 PRO 18 1HD PRO 18 7.929 18.665 3.690 107 HD3 PRO 18 2HD PRO 18 8.119 19.626 5.170 108 H MET 19 H MET 19 5.120 17.396 3.547 109 HA MET 19 HA MET 19 2.925 18.059 1.762 110 HB2 MET 19 1HB MET 19 4.913 15.805 1.878 111 HB3 MET 19 2HB MET 19 3.523 15.746 0.803 112 HG2 MET 19 1HG MET 19 5.482 18.019 0.788 113 HG3 MET 19 2HG MET 19 5.698 16.566 -0.184 114 HE1 MET 19 3HE MET 19 2.755 16.682 -2.676 115 HE2 MET 19 1HE MET 19 4.224 15.857 -2.154 116 HE3 MET 19 2HE MET 19 2.780 15.809 -1.143 117 H LEU 20 H LEU 20 1.116 16.635 1.434 118 HA LEU 20 HA LEU 20 0.407 15.113 3.856 119 HB2 LEU 20 1HB LEU 20 -0.841 17.314 3.175 120 HB3 LEU 20 2HB LEU 20 -1.658 16.254 2.028 121 HG LEU 20 HG LEU 20 -3.013 16.525 4.005 122 HD11 LEU 20 1HD1 LEU 20 -1.729 13.819 3.723 123 HD12 LEU 20 2HD1 LEU 20 -3.227 14.393 2.993 124 HD13 LEU 20 3HD1 LEU 20 -3.143 14.122 4.733 125 HD21 LEU 20 3HD2 LEU 20 -1.786 15.225 6.070 126 HD22 LEU 20 1HD2 LEU 20 -1.898 16.977 5.893 127 HD23 LEU 20 2HD2 LEU 20 -0.449 16.128 5.356 128 HA PRO 21 HA PRO 21 0.455 11.823 0.771 129 HB2 PRO 21 1HB PRO 21 0.406 9.815 2.597 130 HB3 PRO 21 2HB PRO 21 1.882 10.686 2.167 131 HG2 PRO 21 1HG PRO 21 0.082 11.062 4.529 132 HG3 PRO 21 2HG PRO 21 1.854 11.047 4.464 133 HD2 PRO 21 1HD PRO 21 0.420 13.341 4.578 134 HD3 PRO 21 2HD PRO 21 1.971 13.226 3.722 135 HA PRO 22 HA PRO 22 -3.751 10.565 0.533 136 HB2 PRO 22 1HB PRO 22 -3.583 7.955 -0.197 137 HB3 PRO 22 2HB PRO 22 -3.189 9.286 -1.291 138 HG2 PRO 22 1HG PRO 22 -1.356 7.555 0.322 139 HG3 PRO 22 2HG PRO 22 -1.188 8.103 -1.356 140 HD2 PRO 22 1HD PRO 22 0.135 9.272 0.697 141 HD3 PRO 22 2HD PRO 22 -0.401 10.178 -0.732 142 H VAL 23 H VAL 23 -5.312 8.729 1.216 143 HA VAL 23 HA VAL 23 -4.544 7.453 3.726 144 HB VAL 23 HB VAL 23 -6.473 8.304 4.940 145 HG11 VAL 23 1HG1 VAL 23 -4.609 10.351 3.773 146 HG12 VAL 23 2HG1 VAL 23 -5.776 10.753 5.034 147 HG13 VAL 23 3HG1 VAL 23 -4.522 9.551 5.342 148 HG21 VAL 23 3HG2 VAL 23 -7.071 10.454 3.026 149 HG22 VAL 23 1HG2 VAL 23 -7.567 8.839 2.521 150 HG23 VAL 23 2HG2 VAL 23 -8.154 9.506 4.045 151 H GLY 24 H GLY 24 -6.722 6.324 4.602 152 HA2 GLY 24 1HA GLY 24 -8.032 4.465 4.234 153 HA3 GLY 24 2HA GLY 24 -8.751 5.466 2.981 154 H VAL 25 H VAL 25 -5.478 4.116 3.140 155 HA VAL 25 HA VAL 25 -5.464 3.303 0.451 156 HB VAL 25 HB VAL 25 -3.750 2.152 2.653 157 HG11 VAL 25 1HG1 VAL 25 -2.107 2.137 0.648 158 HG12 VAL 25 2HG1 VAL 25 -3.338 0.878 0.762 159 HG13 VAL 25 3HG1 VAL 25 -3.569 2.243 -0.332 160 HG21 VAL 25 3HG2 VAL 25 -2.577 4.295 1.081 161 HG22 VAL 25 1HG2 VAL 25 -3.974 4.828 2.015 162 HG23 VAL 25 2HG2 VAL 25 -2.609 4.063 2.828 163 H GLN 26 H GLN 26 -6.560 1.711 -0.470 164 HA GLN 26 HA GLN 26 -7.171 -0.688 1.128 165 HB2 GLN 26 1HB GLN 26 -9.211 0.508 0.646 166 HB3 GLN 26 2HB GLN 26 -8.793 0.620 -1.059 167 HG2 GLN 26 1HG GLN 26 -9.354 -1.547 -1.487 168 HG3 GLN 26 2HG GLN 26 -9.006 -2.079 0.157 169 HE21 GLN 26 1HE2 GLN 26 -11.297 -0.285 -1.821 170 HE22 GLN 26 2HE2 GLN 26 -12.670 -0.563 -0.809 171 H ALA 27 H ALA 27 -6.322 -2.531 0.426 172 HA ALA 27 HA ALA 27 -5.171 -2.599 -2.275 173 HB1 ALA 27 3HB ALA 27 -3.506 -3.041 -0.666 174 HB2 ALA 27 1HB ALA 27 -4.550 -4.150 0.224 175 HB3 ALA 27 2HB ALA 27 -3.924 -4.607 -1.361 176 H VAL 28 H VAL 28 -6.805 -3.260 -3.590 177 HA VAL 28 HA VAL 28 -8.489 -5.502 -2.831 178 HB VAL 28 HB VAL 28 -8.462 -3.938 -5.415 179 HG11 VAL 28 1HG1 VAL 28 -9.699 -6.355 -4.782 180 HG12 VAL 28 2HG1 VAL 28 -10.973 -5.139 -4.659 181 HG13 VAL 28 3HG1 VAL 28 -10.052 -5.306 -6.155 182 HG21 VAL 28 3HG2 VAL 28 -9.774 -2.362 -4.495 183 HG22 VAL 28 1HG2 VAL 28 -10.659 -3.531 -3.514 184 HG23 VAL 28 2HG2 VAL 28 -9.093 -2.928 -2.970 185 H ALA 29 H ALA 29 -8.387 -7.530 -3.650 186 HA ALA 29 HA ALA 29 -6.061 -8.154 -5.327 187 HB1 ALA 29 3HB ALA 29 -7.628 -9.696 -3.312 188 HB2 ALA 29 1HB ALA 29 -6.744 -10.561 -4.570 189 HB3 ALA 29 2HB ALA 29 -5.883 -9.490 -3.464 190 H LEU 30 H LEU 30 -6.520 -8.201 -7.430 191 HA LEU 30 HA LEU 30 -9.151 -8.835 -8.408 192 HB2 LEU 30 1HB LEU 30 -6.627 -8.518 -10.015 193 HB3 LEU 30 2HB LEU 30 -8.289 -8.352 -10.578 194 HG LEU 30 HG LEU 30 -7.107 -6.489 -8.537 195 HD11 LEU 30 1HD1 LEU 30 -6.301 -5.063 -10.169 196 HD12 LEU 30 2HD1 LEU 30 -7.240 -5.828 -11.450 197 HD13 LEU 30 3HD1 LEU 30 -5.829 -6.648 -10.782 198 HD21 LEU 30 3HD2 LEU 30 -8.985 -5.275 -10.254 199 HD22 LEU 30 1HD2 LEU 30 -9.164 -5.658 -8.542 200 HD23 LEU 30 2HD2 LEU 30 -9.665 -6.828 -9.763 201 H THR 31 H THR 31 -5.926 -10.295 -8.844 202 HA THR 31 HA THR 31 -7.141 -12.939 -8.874 203 HB THR 31 HB THR 31 -7.036 -12.020 -11.275 204 HG1 THR 31 1HG THR 31 -7.251 -14.109 -11.509 205 HG21 THR 31 3HG2 THR 31 -4.332 -11.658 -10.528 206 HG22 THR 31 1HG2 THR 31 -5.076 -11.356 -12.098 207 HG23 THR 31 2HG2 THR 31 -4.370 -12.933 -11.745 208 H HIS 32 H HIS 32 -5.265 -14.618 -9.264 209 HA HIS 32 HA HIS 32 -3.577 -14.589 -7.110 210 HB2 HIS 32 1HB HIS 32 -2.168 -16.240 -8.429 211 HB3 HIS 32 2HB HIS 32 -3.878 -16.637 -8.278 212 HD1 HIS 32 1HD HIS 32 -5.365 -16.080 -10.454 213 HD2 HIS 32 2HD HIS 32 -1.246 -16.106 -10.992 214 HE1 HIS 32 1HE HIS 32 -5.013 -16.259 -12.937 215 HE2 HIS 32 2HE HIS 32 -2.513 -16.359 -13.232 216 H ASP 33 H ASP 33 -2.902 -13.398 -10.374 217 HA ASP 33 HA ASP 33 -0.443 -12.154 -9.330 218 HB2 ASP 33 1HB ASP 33 0.578 -12.383 -11.441 219 HB3 ASP 33 2HB ASP 33 -0.248 -13.918 -11.183 220 H ALA 34 H ALA 34 -2.815 -10.864 -8.877 221 HA ALA 34 HA ALA 34 -2.383 -8.395 -10.295 222 HB1 ALA 34 3HB ALA 34 -4.591 -8.154 -11.215 223 HB2 ALA 34 1HB ALA 34 -3.876 -9.645 -11.830 224 HB3 ALA 34 2HB ALA 34 -5.084 -9.709 -10.545 225 H VAL 35 H VAL 35 -2.997 -6.648 -9.110 226 HA VAL 35 HA VAL 35 -4.881 -6.924 -6.924 227 HB VAL 35 HB VAL 35 -1.946 -6.508 -6.477 228 HG11 VAL 35 1HG1 VAL 35 -2.934 -4.539 -5.510 229 HG12 VAL 35 2HG1 VAL 35 -4.173 -5.506 -4.708 230 HG13 VAL 35 3HG1 VAL 35 -2.486 -5.648 -4.214 231 HG21 VAL 35 3HG2 VAL 35 -2.410 -8.668 -5.916 232 HG22 VAL 35 1HG2 VAL 35 -2.788 -7.896 -4.377 233 HG23 VAL 35 2HG2 VAL 35 -4.086 -8.317 -5.494 234 H ARG 36 H ARG 36 -6.155 -5.221 -7.191 235 HA ARG 36 HA ARG 36 -5.078 -2.755 -8.317 236 HB2 ARG 36 1HB ARG 36 -7.079 -3.397 -9.381 237 HB3 ARG 36 2HB ARG 36 -7.861 -3.797 -7.858 238 HG2 ARG 36 1HG ARG 36 -8.841 -1.791 -8.627 239 HG3 ARG 36 2HG ARG 36 -7.776 -1.352 -7.291 240 HD2 ARG 36 1HD ARG 36 -6.318 -0.243 -8.637 241 HD3 ARG 36 2HD ARG 36 -6.608 -1.311 -10.010 242 HE ARG 36 HE ARG 36 -8.057 1.103 -9.337 243 HH11 ARG 36 1HH1 ARG 36 -7.988 -1.839 -11.197 244 HH12 ARG 36 2HH1 ARG 36 -9.117 -1.270 -12.381 245 HH21 ARG 36 1HH2 ARG 36 -9.545 1.863 -10.890 246 HH22 ARG 36 2HH2 ARG 36 -10.001 0.836 -12.206 247 H VAL 37 H VAL 37 -4.000 -1.711 -6.701 248 HA VAL 37 HA VAL 37 -5.176 -1.416 -4.073 249 HB VAL 37 HB VAL 37 -2.664 -0.178 -5.208 250 HG11 VAL 37 1HG1 VAL 37 -3.052 1.152 -3.395 251 HG12 VAL 37 2HG1 VAL 37 -3.973 -0.088 -2.542 252 HG13 VAL 37 3HG1 VAL 37 -2.212 -0.179 -2.601 253 HG21 VAL 37 3HG2 VAL 37 -1.913 -2.290 -5.123 254 HG22 VAL 37 1HG2 VAL 37 -1.882 -2.046 -3.377 255 HG23 VAL 37 2HG2 VAL 37 -3.268 -2.833 -4.133 256 H SER 38 H SER 38 -6.788 -0.012 -3.827 257 HA SER 38 HA SER 38 -6.646 2.559 -5.258 258 HB2 SER 38 1HB SER 38 -9.032 2.674 -5.176 259 HB3 SER 38 2HB SER 38 -8.627 1.044 -5.711 260 HG SER 38 HG SER 38 -9.778 1.907 -3.337 261 H TRP 39 H TRP 39 -6.758 4.452 -4.148 262 HA TRP 39 HA TRP 39 -7.201 4.341 -1.250 263 HB2 TRP 39 1HB TRP 39 -5.267 5.840 -0.882 264 HB3 TRP 39 2HB TRP 39 -4.786 4.279 -1.543 265 HD1 TRP 39 HD TRP 39 -4.787 7.985 -2.328 266 HE1 TRP 39 1HE TRP 39 -3.454 8.392 -4.492 267 HE3 TRP 39 3HE TRP 39 -4.180 3.136 -3.830 268 HZ2 TRP 39 2HZ TRP 39 -2.299 6.859 -6.562 269 HZ3 TRP 39 3HZ TRP 39 -2.949 2.693 -5.914 270 HH2 TRP 39 HH TRP 39 -2.030 4.517 -7.251 271 H ALA 40 H ALA 40 -7.241 6.695 -0.364 272 HA ALA 40 HA ALA 40 -8.802 8.335 -2.253 273 HB1 ALA 40 3HB ALA 40 -9.831 7.229 -0.065 274 HB2 ALA 40 1HB ALA 40 -9.175 8.695 0.666 275 HB3 ALA 40 2HB ALA 40 -10.343 8.812 -0.652 276 H ASP 41 H ASP 41 -8.837 10.701 -1.628 277 HA ASP 41 HA ASP 41 -6.264 11.561 -0.497 278 HB2 ASP 41 1HB ASP 41 -6.538 11.557 -3.132 279 HB3 ASP 41 2HB ASP 41 -7.394 13.064 -2.817 280 H ASN 42 H ASN 42 -6.563 12.934 1.117 281 HA ASN 42 HA ASN 42 -9.006 14.583 1.125 282 HB2 ASN 42 1HB ASN 42 -7.639 13.043 3.274 283 HB3 ASN 42 2HB ASN 42 -8.374 14.579 3.722 284 HD21 ASN 42 1HD2 ASN 42 -8.988 11.604 4.137 285 HD22 ASN 42 2HD2 ASN 42 -10.677 11.495 3.790 286 H SER 43 H SER 43 -6.631 15.393 -0.166 287 HA SER 43 HA SER 43 -5.706 17.551 1.617 288 HB2 SER 43 1HB SER 43 -3.625 17.596 0.294 289 HB3 SER 43 2HB SER 43 -3.889 16.013 1.024 290 HG SER 43 HG SER 43 -3.304 16.255 -1.365 291 H VAL 44 H VAL 44 -8.069 17.486 -0.145 292 HA VAL 44 HA VAL 44 -7.458 19.919 -1.652 293 HB VAL 44 HB VAL 44 -7.323 18.256 -3.365 294 HG11 VAL 44 1HG1 VAL 44 -9.282 16.916 -1.789 295 HG12 VAL 44 2HG1 VAL 44 -9.902 17.100 -3.431 296 HG13 VAL 44 3HG1 VAL 44 -8.353 16.302 -3.157 297 HG21 VAL 44 3HG2 VAL 44 -9.020 18.994 -4.872 298 HG22 VAL 44 1HG2 VAL 44 -10.093 19.427 -3.540 299 HG23 VAL 44 2HG2 VAL 44 -8.618 20.352 -3.822 300 HA PRO 45 HA PRO 45 -11.189 20.804 0.719 301 HB2 PRO 45 1HB PRO 45 -11.008 23.496 0.412 302 HB3 PRO 45 2HB PRO 45 -10.062 22.600 1.606 303 HG2 PRO 45 1HG PRO 45 -9.247 23.592 -1.098 304 HG3 PRO 45 2HG PRO 45 -8.348 23.640 0.430 305 HD2 PRO 45 1HD PRO 45 -7.873 21.782 -1.482 306 HD3 PRO 45 2HD PRO 45 -7.676 21.443 0.250 307 H LYS 46 H LYS 46 -12.762 22.939 0.045 308 HA LYS 46 HA LYS 46 -14.585 22.146 -1.697 309 HB2 LYS 46 1HB LYS 46 -14.558 24.342 -0.459 310 HB3 LYS 46 2HB LYS 46 -13.590 24.997 -1.773 311 HG2 LYS 46 1HG LYS 46 -15.343 24.883 -3.291 312 HG3 LYS 46 2HG LYS 46 -16.235 23.711 -2.319 313 HD2 LYS 46 1HD LYS 46 -17.018 25.316 -0.860 314 HD3 LYS 46 2HD LYS 46 -15.684 26.422 -1.196 315 HE2 LYS 46 1HE LYS 46 -17.462 27.448 -2.264 316 HE3 LYS 46 2HE LYS 46 -16.710 26.538 -3.573 317 HZ1 LYS 46 3HZ LYS 46 -18.355 24.790 -3.245 318 HZ2 LYS 46 1HZ LYS 46 -19.102 26.268 -3.593 319 HZ3 LYS 46 2HZ LYS 46 -19.084 25.683 -2.006 320 H ASN 47 H ASN 47 -13.841 20.901 -3.400 321 HA ASN 47 HA ASN 47 -12.625 20.432 -5.338 322 HB2 ASN 47 1HB ASN 47 -14.885 21.032 -6.036 323 HB3 ASN 47 2HB ASN 47 -14.442 22.736 -6.080 324 HD21 ASN 47 1HD2 ASN 47 -13.228 19.653 -7.362 325 HD22 ASN 47 2HD2 ASN 47 -12.937 20.241 -8.960 326 H GLN 48 H GLN 48 -10.891 21.875 -3.811 327 HA GLN 48 HA GLN 48 -9.868 24.041 -5.485 328 HB2 GLN 48 1HB GLN 48 -10.098 24.041 -2.864 329 HB3 GLN 48 2HB GLN 48 -8.564 23.184 -2.934 330 HG2 GLN 48 1HG GLN 48 -8.346 25.631 -2.620 331 HG3 GLN 48 2HG GLN 48 -7.509 25.012 -4.042 332 HE21 GLN 48 1HE2 GLN 48 -7.972 25.850 -5.976 333 HE22 GLN 48 2HE2 GLN 48 -9.225 26.997 -6.286 334 H LYS 49 H LYS 49 -9.282 22.501 -7.187 335 HA LYS 49 HA LYS 49 -7.460 20.421 -6.912 336 HB2 LYS 49 1HB LYS 49 -8.307 22.193 -9.146 337 HB3 LYS 49 2HB LYS 49 -6.837 21.255 -9.374 338 HG2 LYS 49 1HG LYS 49 -8.332 19.271 -8.559 339 HG3 LYS 49 2HG LYS 49 -9.650 20.328 -9.070 340 HD2 LYS 49 1HD LYS 49 -9.078 20.199 -11.281 341 HD3 LYS 49 2HD LYS 49 -7.366 19.942 -10.934 342 HE2 LYS 49 1HE LYS 49 -9.300 17.832 -10.127 343 HE3 LYS 49 2HE LYS 49 -8.917 17.998 -11.840 344 HZ1 LYS 49 3HZ LYS 49 -6.789 17.321 -11.526 345 HZ2 LYS 49 1HZ LYS 49 -7.499 16.486 -10.237 346 HZ3 LYS 49 2HZ LYS 49 -6.684 17.941 -9.956 347 H THR 50 H THR 50 -5.194 20.432 -7.850 348 HA THR 50 HA THR 50 -3.730 22.721 -6.720 349 HB THR 50 HB THR 50 -3.190 20.610 -5.635 350 HG1 THR 50 1HG THR 50 -0.952 21.088 -7.275 351 HG21 THR 50 3HG2 THR 50 -2.862 18.664 -6.704 352 HG22 THR 50 1HG2 THR 50 -1.816 19.403 -7.916 353 HG23 THR 50 2HG2 THR 50 -3.568 19.470 -8.104 354 H SER 51 H SER 51 -2.725 24.049 -8.070 355 HA SER 51 HA SER 51 -2.753 23.727 -10.859 356 HB2 SER 51 1HB SER 51 -1.476 25.752 -10.963 357 HB3 SER 51 2HB SER 51 -2.576 25.908 -9.593 358 HG SER 51 HG SER 51 -0.900 26.132 -8.364 359 H GLU 52 H GLU 52 -0.156 23.275 -8.486 360 HA GLU 52 HA GLU 52 1.842 22.601 -10.377 361 HB2 GLU 52 1HB GLU 52 1.988 23.268 -7.824 362 HB3 GLU 52 2HB GLU 52 1.927 21.526 -7.592 363 HG2 GLU 52 1HG GLU 52 4.180 21.865 -7.682 364 HG3 GLU 52 2HG GLU 52 3.836 21.521 -9.376 365 H VAL 53 H VAL 53 2.273 20.750 -11.398 366 HA VAL 53 HA VAL 53 0.449 18.606 -11.398 367 HB VAL 53 HB VAL 53 3.300 18.578 -12.397 368 HG11 VAL 53 1HG1 VAL 53 1.178 16.617 -12.388 369 HG12 VAL 53 2HG1 VAL 53 1.689 17.008 -14.031 370 HG13 VAL 53 3HG1 VAL 53 2.870 16.442 -12.850 371 HG21 VAL 53 3HG2 VAL 53 2.660 19.627 -14.310 372 HG22 VAL 53 1HG2 VAL 53 1.009 19.013 -14.225 373 HG23 VAL 53 2HG2 VAL 53 1.500 20.367 -13.207 374 H ARG 54 H ARG 54 0.231 16.949 -10.053 375 HA ARG 54 HA ARG 54 2.463 16.307 -8.246 376 HB2 ARG 54 1HB ARG 54 0.721 15.292 -6.786 377 HB3 ARG 54 2HB ARG 54 0.506 17.019 -7.038 378 HG2 ARG 54 1HG ARG 54 -1.638 16.086 -7.195 379 HG3 ARG 54 2HG ARG 54 -1.144 16.404 -8.860 380 HD2 ARG 54 1HD ARG 54 -0.848 14.166 -9.339 381 HD3 ARG 54 2HD ARG 54 -0.605 13.730 -7.648 382 HE ARG 54 HE ARG 54 -2.886 13.539 -7.391 383 HH11 ARG 54 1HH1 ARG 54 -2.156 15.023 -10.455 384 HH12 ARG 54 2HH1 ARG 54 -3.779 14.897 -11.050 385 HH21 ARG 54 1HH2 ARG 54 -5.025 13.368 -8.163 386 HH22 ARG 54 2HH2 ARG 54 -5.410 13.957 -9.745 387 H LEU 55 H LEU 55 2.374 13.940 -7.480 388 HA LEU 55 HA LEU 55 1.469 12.064 -9.500 389 HB2 LEU 55 1HB LEU 55 3.532 12.491 -10.490 390 HB3 LEU 55 2HB LEU 55 4.350 12.652 -8.938 391 HG LEU 55 HG LEU 55 4.940 10.611 -10.282 392 HD11 LEU 55 1HD1 LEU 55 5.405 9.466 -8.387 393 HD12 LEU 55 2HD1 LEU 55 3.764 9.617 -7.758 394 HD13 LEU 55 3HD1 LEU 55 4.883 10.975 -7.638 395 HD21 LEU 55 3HD2 LEU 55 3.366 9.242 -11.037 396 HD22 LEU 55 1HD2 LEU 55 2.145 10.354 -10.417 397 HD23 LEU 55 2HD2 LEU 55 2.720 9.025 -9.409 398 H TYR 56 H TYR 56 1.218 9.983 -8.735 399 HA TYR 56 HA TYR 56 1.758 9.617 -5.860 400 HB2 TYR 56 1HB TYR 56 -0.574 8.772 -7.560 401 HB3 TYR 56 2HB TYR 56 -0.204 7.940 -6.054 402 HD1 TYR 56 1HD TYR 56 -0.335 11.520 -7.144 403 HD2 TYR 56 2HD TYR 56 -1.571 8.586 -4.322 404 HE1 TYR 56 1HE TYR 56 -1.565 13.247 -5.897 405 HE2 TYR 56 2HE TYR 56 -2.806 10.304 -3.068 406 HH TYR 56 HH TYR 56 -3.245 13.528 -4.311 407 H THR 57 H THR 57 3.159 8.074 -5.375 408 HA THR 57 HA THR 57 3.809 6.060 -7.408 409 HB THR 57 HB THR 57 5.371 6.739 -4.911 410 HG1 THR 57 1HG THR 57 5.317 8.516 -6.357 411 HG21 THR 57 3HG2 THR 57 7.221 5.650 -6.264 412 HG22 THR 57 1HG2 THR 57 5.958 5.066 -7.346 413 HG23 THR 57 2HG2 THR 57 5.968 4.569 -5.653 414 H VAL 58 H VAL 58 4.148 3.851 -6.764 415 HA VAL 58 HA VAL 58 2.896 3.052 -4.238 416 HB VAL 58 HB VAL 58 2.155 1.818 -6.894 417 HG11 VAL 58 1HG1 VAL 58 2.190 0.547 -4.546 418 HG12 VAL 58 2HG1 VAL 58 0.607 1.317 -4.422 419 HG13 VAL 58 3HG1 VAL 58 0.963 0.245 -5.776 420 HG21 VAL 58 3HG2 VAL 58 1.185 4.178 -5.692 421 HG22 VAL 58 1HG2 VAL 58 0.538 3.327 -7.095 422 HG23 VAL 58 2HG2 VAL 58 -0.059 2.946 -5.480 423 H ARG 59 H ARG 59 4.156 1.658 -3.207 424 HA ARG 59 HA ARG 59 6.029 0.023 -4.788 425 HB2 ARG 59 1HB ARG 59 7.624 0.177 -3.059 426 HB3 ARG 59 2HB ARG 59 6.987 1.806 -3.238 427 HG2 ARG 59 1HG ARG 59 5.443 1.309 -1.324 428 HG3 ARG 59 2HG ARG 59 6.343 -0.190 -1.086 429 HD2 ARG 59 1HD ARG 59 8.265 0.915 -0.427 430 HD3 ARG 59 2HD ARG 59 7.801 2.413 -1.233 431 HE ARG 59 HE ARG 59 6.761 3.055 0.691 432 HH11 ARG 59 1HH1 ARG 59 7.142 -0.405 0.737 433 HH12 ARG 59 2HH1 ARG 59 6.540 -0.580 2.352 434 HH21 ARG 59 1HH2 ARG 59 5.967 2.837 2.818 435 HH22 ARG 59 2HH2 ARG 59 5.872 1.265 3.535 436 H TRP 60 H TRP 60 6.558 -2.090 -3.914 437 HA TRP 60 HA TRP 60 5.021 -3.256 -1.822 438 HB2 TRP 60 1HB TRP 60 3.639 -4.763 -3.127 439 HB3 TRP 60 2HB TRP 60 3.279 -3.101 -3.585 440 HD1 TRP 60 HD TRP 60 4.734 -6.337 -4.958 441 HE1 TRP 60 1HE TRP 60 5.026 -6.107 -7.505 442 HE3 TRP 60 3HE TRP 60 3.732 -1.348 -5.442 443 HZ2 TRP 60 2HZ TRP 60 4.855 -4.079 -9.460 444 HZ3 TRP 60 3HZ TRP 60 3.818 -0.340 -7.685 445 HH2 TRP 60 HH TRP 60 4.368 -1.679 -9.651 446 H ARG 61 H ARG 61 5.778 -5.280 -1.237 447 HA ARG 61 HA ARG 61 7.509 -6.807 -2.936 448 HB2 ARG 61 1HB ARG 61 9.525 -6.617 -1.547 449 HB3 ARG 61 2HB ARG 61 9.083 -5.070 -2.258 450 HG2 ARG 61 1HG ARG 61 9.481 -4.344 -0.162 451 HG3 ARG 61 2HG ARG 61 7.805 -4.843 0.077 452 HD2 ARG 61 1HD ARG 61 9.006 -7.171 0.581 453 HD3 ARG 61 2HD ARG 61 10.319 -6.085 1.033 454 HE ARG 61 HE ARG 61 7.770 -5.404 2.188 455 HH11 ARG 61 1HH1 ARG 61 10.691 -7.265 2.544 456 HH12 ARG 61 2HH1 ARG 61 10.556 -7.390 4.267 457 HH21 ARG 61 1HH2 ARG 61 7.582 -5.562 4.456 458 HH22 ARG 61 2HH2 ARG 61 8.787 -6.421 5.353 459 H THR 62 H THR 62 8.135 -8.826 -1.991 460 HA THR 62 HA THR 62 6.253 -10.218 -0.650 461 HB THR 62 HB THR 62 8.179 -11.674 0.253 462 HG1 THR 62 1HG THR 62 9.630 -9.821 -1.360 463 HG21 THR 62 3HG2 THR 62 7.474 -12.703 -1.611 464 HG22 THR 62 1HG2 THR 62 8.862 -11.951 -2.396 465 HG23 THR 62 2HG2 THR 62 7.277 -11.182 -2.481 466 H SER 63 H SER 63 5.384 -10.225 1.315 467 HA SER 63 HA SER 63 6.505 -8.523 3.375 468 HB2 SER 63 1HB SER 63 3.901 -9.889 2.912 469 HB3 SER 63 2HB SER 63 4.352 -9.553 4.583 470 HG SER 63 HG SER 63 3.305 -7.883 2.859 471 H PHE 64 H PHE 64 7.723 -9.191 5.012 472 HA PHE 64 HA PHE 64 8.771 -10.521 6.532 473 HB2 PHE 64 1HB PHE 64 6.598 -12.545 5.964 474 HB3 PHE 64 2HB PHE 64 7.635 -12.477 7.386 475 HD1 PHE 64 2HD PHE 64 7.387 -10.568 8.983 476 HD2 PHE 64 1HD PHE 64 4.612 -11.297 5.839 477 HE1 PHE 64 2HE PHE 64 5.725 -9.161 10.128 478 HE2 PHE 64 1HE PHE 64 2.946 -9.890 6.978 479 HZ PHE 64 HZ PHE 64 3.501 -8.820 9.126 480 H SER 65 H SER 65 9.763 -10.514 3.968 481 HA SER 65 HA SER 65 10.752 -13.275 3.704 482 HB2 SER 65 1HB SER 65 9.729 -11.417 1.590 483 HB3 SER 65 2HB SER 65 11.015 -12.553 1.182 484 HG SER 65 HG SER 65 8.939 -13.437 0.803 485 H ALA 66 H ALA 66 12.895 -13.460 2.775 486 HA ALA 66 HA ALA 66 14.602 -11.256 3.634 487 HB1 ALA 66 3HB ALA 66 15.991 -12.858 4.285 488 HB2 ALA 66 1HB ALA 66 14.815 -14.056 3.743 489 HB3 ALA 66 2HB ALA 66 16.079 -13.500 2.645 490 H SER 67 H SER 67 16.539 -10.752 2.280 491 HA SER 67 HA SER 67 17.119 -9.576 0.372 492 HB2 SER 67 1HB SER 67 17.939 -12.067 0.273 493 HB3 SER 67 2HB SER 67 16.780 -12.194 -1.050 494 HG SER 67 HG SER 67 17.902 -10.668 -2.179 495 H ALA 68 H ALA 68 14.541 -8.973 0.702 496 HA ALA 68 HA ALA 68 13.171 -9.528 -1.830 497 HB1 ALA 68 3HB ALA 68 11.921 -9.910 0.257 498 HB2 ALA 68 1HB ALA 68 12.098 -8.201 0.657 499 HB3 ALA 68 2HB ALA 68 11.169 -8.684 -0.763 500 H LYS 69 H LYS 69 13.007 -8.043 -3.383 501 HA LYS 69 HA LYS 69 14.202 -5.430 -2.953 502 HB2 LYS 69 1HB LYS 69 13.174 -6.821 -5.428 503 HB3 LYS 69 2HB LYS 69 13.826 -5.188 -5.434 504 HG2 LYS 69 1HG LYS 69 15.395 -7.533 -4.411 505 HG3 LYS 69 2HG LYS 69 15.395 -7.058 -6.112 506 HD2 LYS 69 1HD LYS 69 16.468 -5.046 -5.680 507 HD3 LYS 69 2HD LYS 69 15.984 -5.038 -3.983 508 HE2 LYS 69 1HE LYS 69 17.460 -7.164 -3.816 509 HE3 LYS 69 2HE LYS 69 18.165 -6.589 -5.325 510 HZ1 LYS 69 3HZ LYS 69 19.176 -4.869 -4.303 511 HZ2 LYS 69 1HZ LYS 69 19.069 -5.874 -2.946 512 HZ3 LYS 69 2HZ LYS 69 17.935 -4.640 -3.176 513 H TYR 70 H TYR 70 13.141 -3.523 -2.905 514 HA TYR 70 HA TYR 70 10.251 -3.618 -2.661 515 HB2 TYR 70 1HB TYR 70 12.399 -1.725 -1.901 516 HB3 TYR 70 2HB TYR 70 10.840 -1.009 -2.295 517 HD1 TYR 70 1HD TYR 70 8.841 -1.581 -0.956 518 HD2 TYR 70 2HD TYR 70 12.716 -2.976 0.113 519 HE1 TYR 70 1HE TYR 70 8.019 -2.117 1.299 520 HE2 TYR 70 2HE TYR 70 11.904 -3.518 2.371 521 HH TYR 70 HH TYR 70 10.191 -3.442 3.779 522 H LYS 71 H LYS 71 9.152 -3.599 -4.517 523 HA LYS 71 HA LYS 71 10.112 -2.258 -6.869 524 HB2 LYS 71 1HB LYS 71 8.620 -4.402 -6.653 525 HB3 LYS 71 2HB LYS 71 7.299 -3.244 -6.570 526 HG2 LYS 71 1HG LYS 71 7.754 -2.420 -8.734 527 HG3 LYS 71 2HG LYS 71 9.314 -3.244 -8.797 528 HD2 LYS 71 1HD LYS 71 8.254 -5.385 -8.921 529 HD3 LYS 71 2HD LYS 71 6.669 -4.677 -8.603 530 HE2 LYS 71 1HE LYS 71 6.562 -3.684 -10.718 531 HE3 LYS 71 2HE LYS 71 8.297 -3.851 -10.983 532 HZ1 LYS 71 3HZ LYS 71 6.731 -5.448 -12.189 533 HZ2 LYS 71 1HZ LYS 71 6.571 -6.228 -10.696 534 HZ3 LYS 71 2HZ LYS 71 8.092 -6.105 -11.427 535 H SER 72 H SER 72 8.806 -0.662 -8.054 536 HA SER 72 HA SER 72 6.873 0.904 -6.622 537 HB2 SER 72 1HB SER 72 9.678 1.946 -7.011 538 HB3 SER 72 2HB SER 72 8.297 3.023 -6.804 539 HG SER 72 HG SER 72 9.170 1.024 -4.986 540 H GLU 73 H GLU 73 5.691 2.221 -7.964 541 HA GLU 73 HA GLU 73 6.596 2.533 -10.733 542 HB2 GLU 73 1HB GLU 73 4.192 1.064 -9.788 543 HB3 GLU 73 2HB GLU 73 4.006 2.070 -11.217 544 HG2 GLU 73 1HG GLU 73 5.759 -0.322 -10.822 545 HG3 GLU 73 2HG GLU 73 4.525 -0.040 -12.050 546 H ASP 74 H ASP 74 5.753 4.323 -11.818 547 HA ASP 74 HA ASP 74 4.587 6.347 -10.047 548 HB2 ASP 74 1HB ASP 74 5.445 7.997 -11.548 549 HB3 ASP 74 2HB ASP 74 6.729 6.819 -11.290 550 H THR 75 H THR 75 2.481 6.699 -10.165 551 HA THR 75 HA THR 75 1.151 6.513 -12.778 552 HB THR 75 HB THR 75 0.695 4.440 -11.466 553 HG1 THR 75 1HG THR 75 -1.250 4.452 -12.326 554 HG21 THR 75 3HG2 THR 75 0.426 6.203 -9.332 555 HG22 THR 75 1HG2 THR 75 0.045 4.481 -9.328 556 HG23 THR 75 2HG2 THR 75 -1.219 5.663 -9.667 557 H THR 76 H THR 76 -0.236 8.132 -13.211 558 HA THR 76 HA THR 76 -0.484 10.257 -11.240 559 HB THR 76 HB THR 76 -1.431 11.592 -13.077 560 HG1 THR 76 1HG THR 76 -0.895 10.064 -15.171 561 HG21 THR 76 3HG2 THR 76 1.146 10.978 -12.727 562 HG22 THR 76 1HG2 THR 76 0.592 12.039 -14.022 563 HG23 THR 76 2HG2 THR 76 0.933 10.342 -14.358 564 H SER 77 H SER 77 -1.959 7.771 -10.851 565 HA SER 77 HA SER 77 -4.684 8.886 -10.855 566 HB2 SER 77 1HB SER 77 -5.525 6.542 -11.147 567 HB3 SER 77 2HB SER 77 -4.650 7.164 -12.545 568 HG SER 77 HG SER 77 -4.164 4.935 -11.495 569 H LEU 78 H LEU 78 -6.112 7.598 -9.266 570 HA LEU 78 HA LEU 78 -4.664 7.492 -6.731 571 HB2 LEU 78 1HB LEU 78 -7.594 7.641 -7.399 572 HB3 LEU 78 2HB LEU 78 -6.983 7.446 -5.758 573 HG LEU 78 HG LEU 78 -6.338 9.800 -7.529 574 HD11 LEU 78 1HD1 LEU 78 -8.416 9.537 -5.361 575 HD12 LEU 78 2HD1 LEU 78 -8.720 9.764 -7.083 576 HD13 LEU 78 3HD1 LEU 78 -7.943 11.042 -6.149 577 HD21 LEU 78 3HD2 LEU 78 -5.479 10.812 -5.547 578 HD22 LEU 78 1HD2 LEU 78 -4.740 9.217 -5.692 579 HD23 LEU 78 2HD2 LEU 78 -6.055 9.478 -4.546 580 H SER 79 H SER 79 -4.701 5.324 -8.823 581 HA SER 79 HA SER 79 -4.994 3.128 -6.999 582 HB2 SER 79 1HB SER 79 -6.641 1.875 -8.340 583 HB3 SER 79 2HB SER 79 -7.329 3.372 -7.709 584 HG SER 79 HG SER 79 -7.182 4.283 -9.713 585 H TYR 80 H TYR 80 -3.815 1.357 -7.619 586 HA TYR 80 HA TYR 80 -2.601 1.412 -10.296 587 HB2 TYR 80 1HB TYR 80 -0.949 2.335 -8.779 588 HB3 TYR 80 2HB TYR 80 -1.152 0.977 -7.677 589 HD1 TYR 80 2HD TYR 80 -0.311 -1.263 -8.305 590 HD2 TYR 80 1HD TYR 80 0.430 2.157 -10.725 591 HE1 TYR 80 2HE TYR 80 1.480 -2.483 -9.469 592 HE2 TYR 80 1HE TYR 80 2.222 0.946 -11.897 593 HH TYR 80 HH TYR 80 2.643 -2.391 -11.664 594 H THR 81 H THR 81 -2.295 -0.550 -11.257 595 HA THR 81 HA THR 81 -3.419 -2.863 -9.835 596 HB THR 81 HB THR 81 -2.948 -2.728 -12.805 597 HG1 THR 81 1HG THR 81 -4.334 -1.067 -12.575 598 HG21 THR 81 3HG2 THR 81 -5.131 -4.222 -12.499 599 HG22 THR 81 1HG2 THR 81 -4.408 -4.493 -10.915 600 HG23 THR 81 2HG2 THR 81 -3.507 -4.898 -12.376 601 H ALA 82 H ALA 82 -1.865 -4.035 -8.899 602 HA ALA 82 HA ALA 82 0.773 -4.245 -10.081 603 HB1 ALA 82 3HB ALA 82 0.083 -4.095 -7.541 604 HB2 ALA 82 1HB ALA 82 -0.013 -5.848 -7.704 605 HB3 ALA 82 2HB ALA 82 1.499 -5.011 -8.055 606 H THR 83 H THR 83 0.723 -5.502 -11.881 607 HA THR 83 HA THR 83 -0.566 -8.131 -11.724 608 HB THR 83 HB THR 83 -0.339 -8.243 -14.143 609 HG1 THR 83 1HG THR 83 1.335 -6.058 -13.698 610 HG21 THR 83 3HG2 THR 83 -1.589 -5.841 -12.899 611 HG22 THR 83 1HG2 THR 83 -2.345 -7.212 -13.710 612 HG23 THR 83 2HG2 THR 83 -1.551 -5.955 -14.658 613 H GLY 84 H GLY 84 0.561 -10.024 -12.469 614 HA2 GLY 84 1HA GLY 84 2.390 -11.406 -12.717 615 HA3 GLY 84 2HA GLY 84 3.378 -9.973 -12.959 616 H LEU 85 H LEU 85 1.446 -11.209 -10.228 617 HA LEU 85 HA LEU 85 3.812 -10.815 -8.521 618 HB2 LEU 85 1HB LEU 85 1.071 -11.128 -7.399 619 HB3 LEU 85 2HB LEU 85 2.451 -10.236 -6.762 620 HG LEU 85 HG LEU 85 1.072 -9.274 -9.235 621 HD11 LEU 85 1HD1 LEU 85 -0.087 -7.793 -7.278 622 HD12 LEU 85 2HD1 LEU 85 -0.060 -9.391 -6.532 623 HD13 LEU 85 3HD1 LEU 85 -0.853 -9.159 -8.090 624 HD21 LEU 85 3HD2 LEU 85 3.235 -8.313 -8.398 625 HD22 LEU 85 1HD2 LEU 85 2.359 -7.768 -6.967 626 HD23 LEU 85 2HD2 LEU 85 1.913 -7.155 -8.560 627 H LYS 86 H LYS 86 3.427 -12.268 -6.393 628 HA LYS 86 HA LYS 86 3.550 -14.996 -7.378 629 HB2 LYS 86 1HB LYS 86 5.230 -14.017 -5.767 630 HB3 LYS 86 2HB LYS 86 3.961 -14.023 -4.549 631 HG2 LYS 86 1HG LYS 86 3.746 -16.514 -5.012 632 HG3 LYS 86 2HG LYS 86 5.271 -16.366 -5.889 633 HD2 LYS 86 1HD LYS 86 5.028 -15.317 -3.096 634 HD3 LYS 86 2HD LYS 86 5.297 -17.038 -3.378 635 HE2 LYS 86 1HE LYS 86 7.456 -16.259 -3.188 636 HE3 LYS 86 2HE LYS 86 7.213 -16.196 -4.933 637 HZ1 LYS 86 3HZ LYS 86 6.997 -13.903 -4.899 638 HZ2 LYS 86 1HZ LYS 86 8.225 -14.172 -3.767 639 HZ3 LYS 86 2HZ LYS 86 6.650 -13.842 -3.245 640 HA PRO 87 HA PRO 87 -0.641 -15.867 -6.225 641 HB2 PRO 87 1HB PRO 87 -0.517 -18.556 -6.572 642 HB3 PRO 87 2HB PRO 87 -0.613 -17.418 -7.920 643 HG2 PRO 87 1HG PRO 87 1.781 -18.810 -6.784 644 HG3 PRO 87 2HG PRO 87 1.341 -18.547 -8.481 645 HD2 PRO 87 1HD PRO 87 3.170 -17.019 -7.196 646 HD3 PRO 87 2HD PRO 87 2.122 -16.378 -8.478 647 H ASN 88 H ASN 88 -1.683 -16.429 -4.379 648 HA ASN 88 HA ASN 88 -2.010 -17.037 -2.212 649 HB2 ASN 88 1HB ASN 88 -1.244 -19.283 -3.388 650 HB3 ASN 88 2HB ASN 88 0.167 -19.078 -2.355 651 HD21 ASN 88 1HD2 ASN 88 -3.306 -19.485 -2.405 652 HD22 ASN 88 2HD2 ASN 88 -3.454 -20.063 -0.784 653 H THR 89 H THR 89 -0.128 -14.958 -2.785 654 HA THR 89 HA THR 89 1.435 -15.081 -0.308 655 HB THR 89 HB THR 89 2.672 -13.856 -2.753 656 HG1 THR 89 1HG THR 89 2.612 -16.586 -2.004 657 HG21 THR 89 3HG2 THR 89 3.974 -15.157 -0.370 658 HG22 THR 89 1HG2 THR 89 3.521 -13.453 -0.397 659 HG23 THR 89 2HG2 THR 89 4.704 -14.069 -1.551 660 H MET 90 H MET 90 1.386 -13.241 0.854 661 HA MET 90 HA MET 90 -0.011 -10.946 -0.334 662 HB2 MET 90 1HB MET 90 -1.003 -11.990 1.697 663 HB3 MET 90 2HB MET 90 0.454 -11.568 2.588 664 HG2 MET 90 1HG MET 90 -0.011 -9.169 1.980 665 HG3 MET 90 2HG MET 90 -1.582 -9.713 1.394 666 HE1 MET 90 3HE MET 90 0.863 -10.244 4.194 667 HE2 MET 90 1HE MET 90 -0.045 -10.006 5.688 668 HE3 MET 90 2HE MET 90 -0.166 -11.535 4.816 669 H TYR 91 H TYR 91 0.761 -8.822 0.012 670 HA TYR 91 HA TYR 91 3.515 -8.581 0.988 671 HB2 TYR 91 1HB TYR 91 2.819 -7.026 -1.448 672 HB3 TYR 91 2HB TYR 91 4.367 -7.696 -0.945 673 HD1 TYR 91 1HD TYR 91 4.193 -10.446 -0.789 674 HD2 TYR 91 2HD TYR 91 2.007 -7.905 -3.409 675 HE1 TYR 91 1HE TYR 91 3.892 -12.323 -2.349 676 HE2 TYR 91 2HE TYR 91 1.699 -9.775 -4.976 677 HH TYR 91 HH TYR 91 1.923 -11.989 -5.268 678 H GLU 92 H GLU 92 4.099 -6.072 0.827 679 HA GLU 92 HA GLU 92 1.934 -4.707 2.260 680 HB2 GLU 92 1HB GLU 92 3.718 -4.518 3.669 681 HB3 GLU 92 2HB GLU 92 4.894 -4.609 2.365 682 HG2 GLU 92 1HG GLU 92 4.769 -2.350 1.912 683 HG3 GLU 92 2HG GLU 92 3.184 -2.182 2.664 684 H PHE 93 H PHE 93 0.857 -3.097 1.340 685 HA PHE 93 HA PHE 93 2.034 -1.805 -1.032 686 HB2 PHE 93 1HB PHE 93 -0.850 -2.434 -0.393 687 HB3 PHE 93 2HB PHE 93 -0.363 -1.366 -1.705 688 HD1 PHE 93 2HD PHE 93 0.067 -4.823 -0.419 689 HD2 PHE 93 1HD PHE 93 0.145 -2.234 -3.796 690 HE1 PHE 93 2HE PHE 93 0.322 -6.770 -1.901 691 HE2 PHE 93 1HE PHE 93 0.399 -4.177 -5.284 692 HZ PHE 93 HZ PHE 93 0.489 -6.448 -4.337 693 H SER 94 H SER 94 1.875 0.415 -1.246 694 HA SER 94 HA SER 94 0.490 1.980 0.757 695 HB2 SER 94 1HB SER 94 2.437 3.151 1.579 696 HB3 SER 94 2HB SER 94 2.698 1.421 1.803 697 HG SER 94 HG SER 94 4.407 2.884 0.757 698 H VAL 95 H VAL 95 0.916 4.392 0.346 699 HA VAL 95 HA VAL 95 1.526 4.960 -2.458 700 HB VAL 95 HB VAL 95 -1.040 5.877 -1.155 701 HG11 VAL 95 1HG1 VAL 95 -0.141 6.152 -4.018 702 HG12 VAL 95 2HG1 VAL 95 -1.590 6.837 -3.278 703 HG13 VAL 95 3HG1 VAL 95 0.006 7.426 -2.808 704 HG21 VAL 95 3HG2 VAL 95 -0.879 3.414 -1.781 705 HG22 VAL 95 1HG2 VAL 95 -2.218 4.328 -2.476 706 HG23 VAL 95 2HG2 VAL 95 -0.800 3.959 -3.457 707 H MET 96 H MET 96 2.062 7.136 -2.883 708 HA MET 96 HA MET 96 2.187 8.979 -0.630 709 HB2 MET 96 1HB MET 96 4.596 9.467 -1.109 710 HB3 MET 96 2HB MET 96 4.303 7.879 -0.412 711 HG2 MET 96 1HG MET 96 5.749 7.295 -2.052 712 HG3 MET 96 2HG MET 96 4.240 7.171 -2.954 713 HE1 MET 96 3HE MET 96 7.361 10.530 -3.303 714 HE2 MET 96 1HE MET 96 6.302 10.476 -1.893 715 HE3 MET 96 2HE MET 96 7.422 9.150 -2.206 716 H VAL 97 H VAL 97 3.528 11.042 -1.591 717 HA VAL 97 HA VAL 97 2.631 11.577 -4.322 718 HB VAL 97 HB VAL 97 0.791 12.355 -2.905 719 HG11 VAL 97 1HG1 VAL 97 2.994 13.817 -1.500 720 HG12 VAL 97 2HG1 VAL 97 1.339 14.427 -1.465 721 HG13 VAL 97 3HG1 VAL 97 1.703 12.826 -0.821 722 HG21 VAL 97 3HG2 VAL 97 2.355 14.026 -4.678 723 HG22 VAL 97 1HG2 VAL 97 0.606 13.831 -4.563 724 HG23 VAL 97 2HG2 VAL 97 1.435 14.985 -3.519 725 H THR 98 H THR 98 3.899 13.004 -5.430 726 HA THR 98 HA THR 98 6.182 14.150 -3.956 727 HB THR 98 HB THR 98 6.182 13.211 -6.831 728 HG1 THR 98 1HG THR 98 6.486 11.846 -4.525 729 HG21 THR 98 3HG2 THR 98 8.157 14.223 -7.054 730 HG22 THR 98 1HG2 THR 98 8.757 13.502 -5.561 731 HG23 THR 98 2HG2 THR 98 7.857 15.019 -5.510 732 H LYS 99 H LYS 99 5.374 16.198 -3.660 733 HA LYS 99 HA LYS 99 4.930 17.758 -6.119 734 HB2 LYS 99 1HB LYS 99 2.870 17.282 -4.630 735 HB3 LYS 99 2HB LYS 99 3.594 18.427 -3.509 736 HG2 LYS 99 1HG LYS 99 3.643 20.077 -5.420 737 HG3 LYS 99 2HG LYS 99 2.631 18.935 -6.308 738 HD2 LYS 99 1HD LYS 99 1.810 19.745 -3.559 739 HD3 LYS 99 2HD LYS 99 1.566 20.881 -4.888 740 HE2 LYS 99 1HE LYS 99 0.042 19.517 -5.949 741 HE3 LYS 99 2HE LYS 99 0.680 18.050 -5.209 742 HZ1 LYS 99 3HZ LYS 99 -0.390 18.525 -3.196 743 HZ2 LYS 99 1HZ LYS 99 -1.548 18.862 -4.383 744 HZ3 LYS 99 2HZ LYS 99 -0.716 20.128 -3.630 745 H ASN 100 H ASN 100 5.847 19.783 -6.214 746 HA ASN 100 HA ASN 100 7.165 21.562 -5.649 747 HB2 ASN 100 1HB ASN 100 5.906 21.202 -3.356 748 HB3 ASN 100 2HB ASN 100 7.483 20.620 -2.829 749 HD21 ASN 100 1HD2 ASN 100 5.541 23.295 -3.226 750 HD22 ASN 100 2HD2 ASN 100 6.743 24.525 -3.062 751 H ARG 101 H ARG 101 8.304 19.410 -6.839 752 HA ARG 101 HA ARG 101 10.241 18.240 -7.162 753 HB2 ARG 101 1HB ARG 101 12.229 19.556 -7.024 754 HB3 ARG 101 2HB ARG 101 10.916 20.640 -7.464 755 HG2 ARG 101 1HG ARG 101 10.957 21.732 -5.455 756 HG3 ARG 101 2HG ARG 101 11.613 20.342 -4.589 757 HD2 ARG 101 1HD ARG 101 13.295 21.614 -6.683 758 HD3 ARG 101 2HD ARG 101 13.090 22.466 -5.153 759 HE ARG 101 HE ARG 101 13.785 20.035 -4.308 760 HH11 ARG 101 1HH1 ARG 101 15.135 22.061 -6.796 761 HH12 ARG 101 2HH1 ARG 101 16.744 21.446 -6.605 762 HH21 ARG 101 1HH2 ARG 101 15.898 19.218 -4.047 763 HH22 ARG 101 2HH2 ARG 101 17.177 19.828 -5.042 764 H ARG 102 H ARG 102 8.882 17.558 -4.751 765 HA ARG 102 HA ARG 102 11.096 16.350 -3.322 766 HB2 ARG 102 1HB ARG 102 10.603 17.194 -1.183 767 HB3 ARG 102 2HB ARG 102 10.564 18.603 -2.234 768 HG2 ARG 102 1HG ARG 102 8.241 18.758 -2.145 769 HG3 ARG 102 2HG ARG 102 8.063 17.101 -1.563 770 HD2 ARG 102 1HD ARG 102 7.742 18.215 0.398 771 HD3 ARG 102 2HD ARG 102 9.496 18.045 0.451 772 HE ARG 102 HE ARG 102 9.706 20.317 0.144 773 HH11 ARG 102 1HH1 ARG 102 6.406 19.347 -0.392 774 HH12 ARG 102 2HH1 ARG 102 5.798 20.969 -0.433 775 HH21 ARG 102 1HH2 ARG 102 8.918 22.457 0.092 776 HH22 ARG 102 2HH2 ARG 102 7.228 22.737 -0.158 777 H SER 103 H SER 103 10.547 14.456 -2.268 778 HA SER 103 HA SER 103 7.918 13.389 -2.971 779 HB2 SER 103 1HB SER 103 8.953 11.190 -2.290 780 HB3 SER 103 2HB SER 103 9.745 11.988 -3.648 781 HG SER 103 HG SER 103 11.377 11.421 -2.317 782 H SER 104 H SER 104 6.463 12.609 -1.497 783 HA SER 104 HA SER 104 6.870 13.492 1.259 784 HB2 SER 104 1HB SER 104 4.810 14.272 0.393 785 HB3 SER 104 2HB SER 104 4.427 12.707 -0.324 786 HG SER 104 HG SER 104 3.905 11.919 1.633 787 H THR 105 H THR 105 5.473 11.955 2.826 788 HA THR 105 HA THR 105 6.891 9.422 2.767 789 HB THR 105 HB THR 105 6.683 10.819 4.859 790 HG1 THR 105 1HG THR 105 5.904 8.100 4.728 791 HG21 THR 105 3HG2 THR 105 4.594 10.578 6.149 792 HG22 THR 105 1HG2 THR 105 3.844 9.789 4.762 793 HG23 THR 105 2HG2 THR 105 4.350 11.475 4.650 794 H TRP 106 H TRP 106 5.865 7.381 2.981 795 HA TRP 106 HA TRP 106 3.526 7.103 1.373 796 HB2 TRP 106 1HB TRP 106 4.855 4.994 3.084 797 HB3 TRP 106 2HB TRP 106 3.788 4.726 1.708 798 HD1 TRP 106 HD TRP 106 7.338 6.006 2.504 799 HE1 TRP 106 1HE TRP 106 8.790 5.711 0.399 800 HE3 TRP 106 3HE TRP 106 3.726 4.445 -0.760 801 HZ2 TRP 106 2HZ TRP 106 8.449 4.921 -2.289 802 HZ3 TRP 106 3HZ TRP 106 4.372 3.940 -3.080 803 HH2 TRP 106 HH TRP 106 6.685 4.175 -3.827 804 H SER 107 H SER 107 1.471 6.393 1.954 805 HA SER 107 HA SER 107 0.646 7.167 4.617 806 HB2 SER 107 1HB SER 107 -1.652 6.737 3.744 807 HB3 SER 107 2HB SER 107 -0.738 7.878 2.758 808 HG SER 107 HG SER 107 -1.017 5.105 2.211 809 H MET 108 H MET 108 -1.381 5.603 5.318 810 HA MET 108 HA MET 108 -0.292 3.451 6.610 811 HB2 MET 108 1HB MET 108 -2.614 2.565 6.795 812 HB3 MET 108 2HB MET 108 -2.474 4.269 7.208 813 HG2 MET 108 1HG MET 108 -3.428 4.931 5.132 814 HG3 MET 108 2HG MET 108 -3.355 3.283 4.510 815 HE1 MET 108 3HE MET 108 -4.321 1.400 5.557 816 HE2 MET 108 1HE MET 108 -5.688 1.343 6.670 817 HE3 MET 108 2HE MET 108 -5.964 1.611 4.949 818 H THR 109 H THR 109 0.045 1.309 6.204 819 HA THR 109 HA THR 109 0.215 0.536 3.425 820 HB THR 109 HB THR 109 0.965 -0.936 5.955 821 HG1 THR 109 1HG THR 109 2.274 0.766 4.184 822 HG21 THR 109 3HG2 THR 109 2.193 -2.461 4.378 823 HG22 THR 109 1HG2 THR 109 1.287 -1.718 3.060 824 HG23 THR 109 2HG2 THR 109 0.436 -2.602 4.326 825 H ALA 110 H ALA 110 -1.044 -0.897 2.360 826 HA ALA 110 HA ALA 110 -3.351 -1.986 3.829 827 HB1 ALA 110 3HB ALA 110 -4.362 -2.153 1.495 828 HB2 ALA 110 1HB ALA 110 -4.164 -0.537 2.174 829 HB3 ALA 110 2HB ALA 110 -3.023 -1.134 0.969 830 H HIS 111 H HIS 111 -3.432 -4.108 4.128 831 HA HIS 111 HA HIS 111 -1.583 -5.826 2.665 832 HB2 HIS 111 1HB HIS 111 -3.178 -6.113 5.187 833 HB3 HIS 111 2HB HIS 111 -2.584 -7.552 4.362 834 HD1 HIS 111 1HD HIS 111 0.187 -6.280 3.505 835 HD2 HIS 111 2HD HIS 111 -1.443 -6.246 7.326 836 HE1 HIS 111 1HE HIS 111 2.139 -5.998 5.066 837 HE2 HIS 111 2HE HIS 111 1.137 -6.065 7.376 838 H ALA 112 H ALA 112 -2.195 -7.529 1.381 839 HA ALA 112 HA ALA 112 -4.917 -8.374 1.130 840 HB1 ALA 112 3HB ALA 112 -5.576 -7.406 -0.825 841 HB2 ALA 112 1HB ALA 112 -4.565 -6.108 -0.191 842 HB3 ALA 112 2HB ALA 112 -3.926 -7.207 -1.414 843 H THR 113 H THR 113 -4.507 -10.491 1.074 844 HA THR 113 HA THR 113 -2.184 -11.559 -0.259 845 HB THR 113 HB THR 113 -4.459 -13.191 0.853 846 HG1 THR 113 1HG THR 113 -3.550 -11.520 2.350 847 HG21 THR 113 3HG2 THR 113 -2.872 -14.512 -0.327 848 HG22 THR 113 1HG2 THR 113 -2.529 -14.730 1.388 849 HG23 THR 113 2HG2 THR 113 -1.515 -13.665 0.415 850 H THR 114 H THR 114 -2.118 -12.769 -2.115 851 HA THR 114 HA THR 114 -4.276 -12.352 -3.983 852 HB THR 114 HB THR 114 -2.753 -13.654 -5.553 853 HG1 THR 114 1HG THR 114 -0.925 -14.426 -4.787 854 HG21 THR 114 3HG2 THR 114 -2.851 -11.081 -5.113 855 HG22 THR 114 1HG2 THR 114 -1.532 -11.756 -6.069 856 HG23 THR 114 2HG2 THR 114 -1.270 -11.338 -4.375 857 H TYR 115 H TYR 115 -5.217 -14.088 -5.258 858 HA TYR 115 HA TYR 115 -6.123 -16.233 -3.597 859 HB2 TYR 115 1HB TYR 115 -6.579 -15.943 -6.566 860 HB3 TYR 115 2HB TYR 115 -7.576 -16.809 -5.402 861 HD1 TYR 115 2HD TYR 115 -8.995 -15.559 -3.814 862 HD2 TYR 115 1HD TYR 115 -6.793 -13.576 -6.867 863 HE1 TYR 115 2HE TYR 115 -10.383 -13.552 -3.505 864 HE2 TYR 115 1HE TYR 115 -8.174 -11.564 -6.566 865 HH TYR 115 HH TYR 115 -10.939 -11.394 -5.367 866 H GLU 116 H GLU 116 -5.930 -18.488 -4.041 867 HA GLU 116 HA GLU 116 -3.283 -19.276 -4.723 868 HB2 GLU 116 1HB GLU 116 -5.091 -20.370 -3.128 869 HB3 GLU 116 2HB GLU 116 -5.503 -21.266 -4.584 870 HG2 GLU 116 1HG GLU 116 -3.187 -22.044 -4.751 871 HG3 GLU 116 2HG GLU 116 -2.797 -21.169 -3.271 872 H ALA 117 H ALA 117 -2.505 -19.489 -6.704 873 HA ALA 117 HA ALA 117 -3.862 -19.288 -9.076 874 HB1 ALA 117 3HB ALA 117 -1.890 -19.762 -10.115 875 HB2 ALA 117 1HB ALA 117 -1.286 -19.445 -8.488 876 HB3 ALA 117 2HB ALA 117 -1.514 -21.106 -9.037 877 H SER 118 H SER 118 -3.824 -21.124 -10.815 878 HA SER 118 HA SER 118 -5.443 -23.298 -9.717 879 HB2 SER 118 1HB SER 118 -6.429 -22.012 -11.551 880 HB3 SER 118 2HB SER 118 -5.045 -22.389 -12.578 881 HG SER 118 HG SER 118 -6.621 -24.421 -11.412 882 H GLY 119 H GLY 119 -5.122 -25.490 -10.409 883 HA2 GLY 119 1HA GLY 119 -2.704 -26.220 -11.792 884 HA3 GLY 119 2HA GLY 119 -2.630 -26.531 -10.063 885 HA PRO 120 HA PRO 120 -4.282 -30.394 -11.832 886 HB2 PRO 120 1HB PRO 120 -3.235 -31.973 -9.887 887 HB3 PRO 120 2HB PRO 120 -2.306 -31.436 -11.293 888 HG2 PRO 120 1HG PRO 120 -2.334 -30.336 -8.509 889 HG3 PRO 120 2HG PRO 120 -0.953 -30.631 -9.582 890 HD2 PRO 120 1HD PRO 120 -2.027 -28.170 -9.231 891 HD3 PRO 120 2HD PRO 120 -1.297 -28.683 -10.766 892 H SER 121 H SER 121 -6.416 -29.626 -11.269 893 HA SER 121 HA SER 121 -7.307 -30.445 -8.584 894 HB2 SER 121 1HB SER 121 -7.672 -28.061 -9.080 895 HB3 SER 121 2HB SER 121 -8.608 -28.500 -10.508 896 HG SER 121 HG SER 121 -9.309 -28.566 -7.835 897 H SER 122 H SER 122 -6.941 -32.425 -10.469 898 HA SER 122 HA SER 122 -9.242 -33.028 -11.991 899 HB2 SER 122 1HB SER 122 -6.905 -34.037 -12.222 900 HB3 SER 122 2HB SER 122 -7.336 -35.079 -10.865 901 HG SER 122 HG SER 122 -7.760 -35.990 -12.974 902 H GLY 123 H GLY 123 -10.802 -34.724 -11.620 903 HA2 GLY 123 1HA GLY 123 -11.175 -36.038 -9.173 904 HA3 GLY 123 2HA GLY 123 -12.070 -34.527 -9.114 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -8.723 6.939 -13.676 2 HA2 GLY 1 1HA GLY 1 -8.644 9.627 -14.862 3 HA3 GLY 1 2HA GLY 1 -9.272 8.182 -15.641 4 H SER 2 H SER 2 -9.889 10.327 -12.871 5 HA SER 2 HA SER 2 -12.751 9.713 -13.115 6 HB2 SER 2 1HB SER 2 -13.015 10.355 -10.862 7 HB3 SER 2 2HB SER 2 -11.482 9.484 -10.883 8 HG SER 2 HG SER 2 -10.762 11.242 -9.977 9 H SER 3 H SER 3 -14.262 11.540 -12.755 10 HA SER 3 HA SER 3 -13.657 13.670 -14.553 11 HB2 SER 3 1HB SER 3 -15.951 12.564 -14.048 12 HB3 SER 3 2HB SER 3 -16.013 13.678 -12.682 13 HG SER 3 HG SER 3 -15.384 15.245 -14.550 14 H GLY 4 H GLY 4 -14.354 13.583 -11.055 15 HA2 GLY 4 1HA GLY 4 -12.396 15.247 -10.156 16 HA3 GLY 4 2HA GLY 4 -13.639 16.352 -10.723 17 H SER 5 H SER 5 -12.532 15.596 -7.993 18 HA SER 5 HA SER 5 -15.074 15.669 -6.635 19 HB2 SER 5 1HB SER 5 -14.387 13.178 -7.091 20 HB3 SER 5 2HB SER 5 -13.263 13.445 -5.758 21 HG SER 5 HG SER 5 -14.934 12.998 -4.565 22 H SER 6 H SER 6 -14.854 16.102 -4.342 23 HA SER 6 HA SER 6 -12.218 17.235 -3.664 24 HB2 SER 6 1HB SER 6 -14.943 18.254 -2.823 25 HB3 SER 6 2HB SER 6 -13.392 18.957 -2.364 26 HG SER 6 HG SER 6 -14.828 19.295 -4.634 27 H GLY 7 H GLY 7 -11.248 16.240 -2.034 28 HA2 GLY 7 1HA GLY 7 -12.637 14.341 -0.393 29 HA3 GLY 7 2HA GLY 7 -10.943 14.790 -0.263 30 H PHE 8 H PHE 8 -14.173 15.412 0.838 31 HA PHE 8 HA PHE 8 -14.179 17.714 2.178 32 HB2 PHE 8 1HB PHE 8 -15.264 16.359 4.145 33 HB3 PHE 8 2HB PHE 8 -16.067 16.436 2.580 34 HD1 PHE 8 2HD PHE 8 -16.044 14.501 1.078 35 HD2 PHE 8 1HD PHE 8 -14.359 14.317 4.982 36 HE1 PHE 8 2HE PHE 8 -16.054 12.043 0.963 37 HE2 PHE 8 1HE PHE 8 -14.366 11.859 4.873 38 HZ PHE 8 HZ PHE 8 -15.215 10.719 2.862 39 HA PRO 9 HA PRO 9 -10.746 17.942 4.918 40 HB2 PRO 9 1HB PRO 9 -11.727 19.718 6.721 41 HB3 PRO 9 2HB PRO 9 -11.222 20.183 5.092 42 HG2 PRO 9 1HG PRO 9 -13.975 19.651 6.142 43 HG3 PRO 9 2HG PRO 9 -13.418 20.949 5.070 44 HD2 PRO 9 1HD PRO 9 -14.692 18.744 4.149 45 HD3 PRO 9 2HD PRO 9 -13.451 19.594 3.205 46 H THR 10 H THR 10 -10.276 16.234 6.160 47 HA THR 10 HA THR 10 -12.161 15.441 8.270 48 HB THR 10 HB THR 10 -9.828 13.887 7.132 49 HG1 THR 10 1HG THR 10 -12.632 13.525 6.752 50 HG21 THR 10 3HG2 THR 10 -11.930 12.448 8.565 51 HG22 THR 10 1HG2 THR 10 -11.029 13.572 9.582 52 HG23 THR 10 2HG2 THR 10 -10.176 12.311 8.692 53 H SER 11 H SER 11 -8.667 15.873 7.722 54 HA SER 11 HA SER 11 -8.025 15.752 10.500 55 HB2 SER 11 1HB SER 11 -6.471 16.610 8.059 56 HB3 SER 11 2HB SER 11 -5.786 16.672 9.683 57 HG SER 11 HG SER 11 -5.868 14.499 9.817 58 H VAL 12 H VAL 12 -6.598 17.671 11.373 59 HA VAL 12 HA VAL 12 -8.375 19.945 11.520 60 HB VAL 12 HB VAL 12 -6.830 20.795 13.232 61 HG11 VAL 12 1HG1 VAL 12 -7.045 18.011 14.115 62 HG12 VAL 12 2HG1 VAL 12 -7.747 19.478 14.799 63 HG13 VAL 12 3HG1 VAL 12 -8.532 18.675 13.439 64 HG21 VAL 12 3HG2 VAL 12 -5.053 18.954 13.916 65 HG22 VAL 12 1HG2 VAL 12 -5.133 18.588 12.193 66 HG23 VAL 12 2HG2 VAL 12 -4.681 20.206 12.731 67 HA PRO 13 HA PRO 13 -6.282 22.350 8.459 68 HB2 PRO 13 1HB PRO 13 -7.349 24.761 9.105 69 HB3 PRO 13 2HB PRO 13 -8.256 23.507 8.252 70 HG2 PRO 13 1HG PRO 13 -8.292 24.225 11.158 71 HG3 PRO 13 2HG PRO 13 -9.649 23.839 10.084 72 HD2 PRO 13 1HD PRO 13 -8.608 22.040 11.819 73 HD3 PRO 13 2HD PRO 13 -9.303 21.567 10.256 74 H ASP 14 H ASP 14 -4.163 22.711 8.705 75 HA ASP 14 HA ASP 14 -3.314 24.776 10.589 76 HB2 ASP 14 1HB ASP 14 -3.039 22.398 11.566 77 HB3 ASP 14 2HB ASP 14 -1.733 22.223 10.396 78 H LEU 15 H LEU 15 -1.011 25.433 10.177 79 HA LEU 15 HA LEU 15 -0.333 25.119 7.327 80 HB2 LEU 15 1HB LEU 15 -0.544 27.559 9.018 81 HB3 LEU 15 2HB LEU 15 0.689 27.514 7.760 82 HG LEU 15 HG LEU 15 -1.258 26.919 6.177 83 HD11 LEU 15 1HD1 LEU 15 -3.434 27.500 6.813 84 HD12 LEU 15 2HD1 LEU 15 -2.885 28.313 8.279 85 HD13 LEU 15 3HD1 LEU 15 -2.812 26.554 8.166 86 HD21 LEU 15 3HD2 LEU 15 0.049 29.137 6.501 87 HD22 LEU 15 1HD2 LEU 15 -1.435 29.696 7.273 88 HD23 LEU 15 2HD2 LEU 15 -1.466 29.149 5.597 89 H SER 16 H SER 16 2.026 26.093 7.016 90 HA SER 16 HA SER 16 4.255 25.760 7.324 91 HB2 SER 16 1HB SER 16 3.924 27.159 9.316 92 HB3 SER 16 2HB SER 16 3.492 25.730 10.256 93 HG SER 16 HG SER 16 5.534 25.379 10.538 94 H THR 17 H THR 17 2.699 23.506 6.748 95 HA THR 17 HA THR 17 4.187 21.406 8.185 96 HB THR 17 HB THR 17 2.280 19.879 7.775 97 HG1 THR 17 1HG THR 17 1.088 20.691 6.163 98 HG21 THR 17 3HG2 THR 17 1.432 22.365 9.263 99 HG22 THR 17 1HG2 THR 17 2.525 21.143 9.912 100 HG23 THR 17 2HG2 THR 17 0.857 20.719 9.525 101 HA PRO 18 HA PRO 18 5.749 20.147 4.270 102 HB2 PRO 18 1HB PRO 18 6.247 17.530 4.794 103 HB3 PRO 18 2HB PRO 18 7.236 18.845 5.442 104 HG2 PRO 18 1HG PRO 18 5.040 17.296 6.763 105 HG3 PRO 18 2HG PRO 18 6.610 17.794 7.420 106 HD2 PRO 18 1HD PRO 18 4.314 19.120 7.969 107 HD3 PRO 18 2HD PRO 18 5.886 19.937 7.863 108 H MET 19 H MET 19 5.535 17.927 2.873 109 HA MET 19 HA MET 19 3.104 17.998 1.608 110 HB2 MET 19 1HB MET 19 4.978 15.639 1.860 111 HB3 MET 19 2HB MET 19 3.677 15.763 0.685 112 HG2 MET 19 1HG MET 19 4.939 18.028 0.111 113 HG3 MET 19 2HG MET 19 6.302 17.122 0.765 114 HE1 MET 19 3HE MET 19 3.317 17.055 -1.579 115 HE2 MET 19 1HE MET 19 3.773 15.961 -2.886 116 HE3 MET 19 2HE MET 19 3.288 15.310 -1.320 117 H LEU 20 H LEU 20 1.541 16.090 1.409 118 HA LEU 20 HA LEU 20 0.958 14.907 4.032 119 HB2 LEU 20 1HB LEU 20 -0.384 17.042 3.416 120 HB3 LEU 20 2HB LEU 20 -1.250 15.972 2.316 121 HG LEU 20 HG LEU 20 -2.468 16.270 4.402 122 HD11 LEU 20 1HD1 LEU 20 -2.861 13.949 4.914 123 HD12 LEU 20 2HD1 LEU 20 -1.311 13.494 4.208 124 HD13 LEU 20 3HD1 LEU 20 -2.596 14.127 3.180 125 HD21 LEU 20 3HD2 LEU 20 -0.531 14.731 6.002 126 HD22 LEU 20 1HD2 LEU 20 -1.587 16.066 6.466 127 HD23 LEU 20 2HD2 LEU 20 -0.070 16.393 5.628 128 HA PRO 21 HA PRO 21 0.735 11.378 1.290 129 HB2 PRO 21 1HB PRO 21 0.445 9.545 3.271 130 HB3 PRO 21 2HB PRO 21 2.003 10.265 2.850 131 HG2 PRO 21 1HG PRO 21 0.126 10.974 5.072 132 HG3 PRO 21 2HG PRO 21 1.893 10.825 5.104 133 HD2 PRO 21 1HD PRO 21 0.636 13.218 4.950 134 HD3 PRO 21 2HD PRO 21 2.212 12.917 4.192 135 HA PRO 22 HA PRO 22 -3.577 10.593 0.913 136 HB2 PRO 22 1HB PRO 22 -3.577 8.038 -0.003 137 HB3 PRO 22 2HB PRO 22 -3.079 9.414 -0.994 138 HG2 PRO 22 1HG PRO 22 -1.390 7.449 0.505 139 HG3 PRO 22 2HG PRO 22 -1.163 8.103 -1.127 140 HD2 PRO 22 1HD PRO 22 0.209 9.027 1.016 141 HD3 PRO 22 2HD PRO 22 -0.245 10.068 -0.349 142 H VAL 23 H VAL 23 -5.331 9.067 1.574 143 HA VAL 23 HA VAL 23 -4.660 7.571 4.017 144 HB VAL 23 HB VAL 23 -6.622 8.405 5.151 145 HG11 VAL 23 1HG1 VAL 23 -6.001 10.811 5.363 146 HG12 VAL 23 2HG1 VAL 23 -4.637 9.700 5.498 147 HG13 VAL 23 3HG1 VAL 23 -4.901 10.596 4.002 148 HG21 VAL 23 3HG2 VAL 23 -8.181 9.899 4.241 149 HG22 VAL 23 1HG2 VAL 23 -7.128 10.311 2.888 150 HG23 VAL 23 2HG2 VAL 23 -7.897 8.725 2.955 151 H GLY 24 H GLY 24 -6.841 6.383 4.739 152 HA2 GLY 24 1HA GLY 24 -8.104 4.519 4.252 153 HA3 GLY 24 2HA GLY 24 -8.789 5.555 3.009 154 H VAL 25 H VAL 25 -5.543 4.139 3.314 155 HA VAL 25 HA VAL 25 -5.466 3.415 0.563 156 HB VAL 25 HB VAL 25 -3.657 2.304 2.700 157 HG11 VAL 25 1HG1 VAL 25 -2.960 1.257 0.819 158 HG12 VAL 25 2HG1 VAL 25 -3.626 2.494 -0.249 159 HG13 VAL 25 3HG1 VAL 25 -2.092 2.773 0.577 160 HG21 VAL 25 3HG2 VAL 25 -3.953 5.066 1.761 161 HG22 VAL 25 1HG2 VAL 25 -3.192 4.438 3.223 162 HG23 VAL 25 2HG2 VAL 25 -2.304 4.443 1.699 163 H GLN 26 H GLN 26 -6.441 1.742 -0.351 164 HA GLN 26 HA GLN 26 -6.851 -0.697 1.251 165 HB2 GLN 26 1HB GLN 26 -9.033 -0.074 0.982 166 HB3 GLN 26 2HB GLN 26 -8.709 0.820 -0.497 167 HG2 GLN 26 1HG GLN 26 -8.452 -2.132 -0.579 168 HG3 GLN 26 2HG GLN 26 -10.071 -1.441 -0.488 169 HE21 GLN 26 1HE2 GLN 26 -7.374 -2.089 -2.463 170 HE22 GLN 26 2HE2 GLN 26 -7.974 -1.379 -3.919 171 H ALA 27 H ALA 27 -6.295 -2.618 0.351 172 HA ALA 27 HA ALA 27 -5.192 -2.533 -2.382 173 HB1 ALA 27 3HB ALA 27 -3.362 -2.829 -0.926 174 HB2 ALA 27 1HB ALA 27 -4.230 -4.014 0.050 175 HB3 ALA 27 2HB ALA 27 -3.711 -4.428 -1.584 176 H VAL 28 H VAL 28 -6.810 -3.370 -3.591 177 HA VAL 28 HA VAL 28 -8.230 -5.747 -2.675 178 HB VAL 28 HB VAL 28 -8.627 -4.048 -5.142 179 HG11 VAL 28 1HG1 VAL 28 -9.747 -5.793 -5.956 180 HG12 VAL 28 2HG1 VAL 28 -9.625 -6.674 -4.432 181 HG13 VAL 28 3HG1 VAL 28 -10.932 -5.516 -4.680 182 HG21 VAL 28 3HG2 VAL 28 -9.244 -3.401 -2.578 183 HG22 VAL 28 1HG2 VAL 28 -10.120 -2.819 -3.994 184 HG23 VAL 28 2HG2 VAL 28 -10.725 -4.208 -3.092 185 H ALA 29 H ALA 29 -8.128 -7.732 -3.646 186 HA ALA 29 HA ALA 29 -5.876 -8.135 -5.482 187 HB1 ALA 29 3HB ALA 29 -5.716 -10.332 -4.702 188 HB2 ALA 29 1HB ALA 29 -6.098 -9.389 -3.261 189 HB3 ALA 29 2HB ALA 29 -7.361 -10.323 -4.064 190 H LEU 30 H LEU 30 -6.353 -8.264 -7.568 191 HA LEU 30 HA LEU 30 -9.028 -8.875 -8.462 192 HB2 LEU 30 1HB LEU 30 -6.569 -8.485 -10.151 193 HB3 LEU 30 2HB LEU 30 -8.252 -8.331 -10.650 194 HG LEU 30 HG LEU 30 -7.005 -6.496 -8.619 195 HD11 LEU 30 1HD1 LEU 30 -6.072 -5.194 -10.190 196 HD12 LEU 30 2HD1 LEU 30 -7.357 -5.501 -11.358 197 HD13 LEU 30 3HD1 LEU 30 -6.055 -6.673 -11.150 198 HD21 LEU 30 3HD2 LEU 30 -9.082 -5.460 -10.347 199 HD22 LEU 30 1HD2 LEU 30 -8.988 -5.490 -8.585 200 HD23 LEU 30 2HD2 LEU 30 -9.620 -6.886 -9.459 201 H THR 31 H THR 31 -5.802 -10.291 -9.003 202 HA THR 31 HA THR 31 -7.019 -12.939 -9.129 203 HB THR 31 HB THR 31 -6.782 -11.862 -11.494 204 HG1 THR 31 1HG THR 31 -7.277 -13.957 -11.570 205 HG21 THR 31 3HG2 THR 31 -4.739 -11.515 -12.349 206 HG22 THR 31 1HG2 THR 31 -4.116 -13.029 -11.696 207 HG23 THR 31 2HG2 THR 31 -4.164 -11.586 -10.683 208 H HIS 32 H HIS 32 -5.143 -14.611 -9.511 209 HA HIS 32 HA HIS 32 -3.530 -14.698 -7.319 210 HB2 HIS 32 1HB HIS 32 -2.092 -16.292 -8.595 211 HB3 HIS 32 2HB HIS 32 -3.814 -16.640 -8.721 212 HD1 HIS 32 1HD HIS 32 -4.953 -15.698 -11.023 213 HD2 HIS 32 2HD HIS 32 -0.820 -16.124 -10.984 214 HE1 HIS 32 1HE HIS 32 -4.256 -15.715 -13.439 215 HE2 HIS 32 2HE HIS 32 -1.761 -16.059 -13.392 216 H ASP 33 H ASP 33 -2.676 -13.362 -10.494 217 HA ASP 33 HA ASP 33 -0.324 -12.104 -9.240 218 HB2 ASP 33 1HB ASP 33 0.690 -12.053 -11.484 219 HB3 ASP 33 2HB ASP 33 0.305 -13.698 -10.983 220 H ALA 34 H ALA 34 -2.836 -10.928 -8.995 221 HA ALA 34 HA ALA 34 -2.339 -8.400 -10.326 222 HB1 ALA 34 3HB ALA 34 -5.042 -9.688 -10.636 223 HB2 ALA 34 1HB ALA 34 -4.468 -8.185 -11.360 224 HB3 ALA 34 2HB ALA 34 -3.793 -9.729 -11.880 225 H VAL 35 H VAL 35 -2.779 -6.746 -9.004 226 HA VAL 35 HA VAL 35 -4.770 -7.075 -6.885 227 HB VAL 35 HB VAL 35 -1.855 -6.557 -6.463 228 HG11 VAL 35 1HG1 VAL 35 -2.482 -5.692 -4.169 229 HG12 VAL 35 2HG1 VAL 35 -2.743 -4.581 -5.515 230 HG13 VAL 35 3HG1 VAL 35 -4.107 -5.447 -4.806 231 HG21 VAL 35 3HG2 VAL 35 -3.738 -8.578 -5.784 232 HG22 VAL 35 1HG2 VAL 35 -2.008 -8.525 -5.447 233 HG23 VAL 35 2HG2 VAL 35 -3.152 -7.840 -4.293 234 H ARG 36 H ARG 36 -6.104 -5.403 -6.983 235 HA ARG 36 HA ARG 36 -5.216 -2.919 -8.233 236 HB2 ARG 36 1HB ARG 36 -7.282 -3.753 -9.092 237 HB3 ARG 36 2HB ARG 36 -7.937 -3.976 -7.476 238 HG2 ARG 36 1HG ARG 36 -8.967 -2.055 -8.420 239 HG3 ARG 36 2HG ARG 36 -7.843 -1.502 -7.177 240 HD2 ARG 36 1HD ARG 36 -7.304 -0.056 -8.861 241 HD3 ARG 36 2HD ARG 36 -6.186 -1.370 -9.224 242 HE ARG 36 HE ARG 36 -8.523 -1.890 -10.621 243 HH11 ARG 36 1HH1 ARG 36 -6.052 0.561 -10.537 244 HH12 ARG 36 2HH1 ARG 36 -6.218 0.971 -12.212 245 HH21 ARG 36 1HH2 ARG 36 -8.751 -1.359 -12.828 246 HH22 ARG 36 2HH2 ARG 36 -7.755 -0.121 -13.514 247 H VAL 37 H VAL 37 -4.210 -1.588 -6.856 248 HA VAL 37 HA VAL 37 -5.257 -1.288 -4.132 249 HB VAL 37 HB VAL 37 -2.667 -0.237 -5.278 250 HG11 VAL 37 1HG1 VAL 37 -3.602 0.993 -3.325 251 HG12 VAL 37 2HG1 VAL 37 -3.522 -0.508 -2.400 252 HG13 VAL 37 3HG1 VAL 37 -2.042 0.233 -3.012 253 HG21 VAL 37 3HG2 VAL 37 -1.848 -2.292 -5.070 254 HG22 VAL 37 1HG2 VAL 37 -2.215 -2.242 -3.346 255 HG23 VAL 37 2HG2 VAL 37 -3.402 -2.882 -4.482 256 H SER 38 H SER 38 -6.704 0.274 -3.875 257 HA SER 38 HA SER 38 -6.271 2.828 -5.279 258 HB2 SER 38 1HB SER 38 -8.925 1.493 -4.692 259 HB3 SER 38 2HB SER 38 -8.728 3.096 -5.398 260 HG SER 38 HG SER 38 -8.903 0.906 -6.719 261 H TRP 39 H TRP 39 -6.287 4.615 -4.051 262 HA TRP 39 HA TRP 39 -7.158 4.342 -1.248 263 HB2 TRP 39 1HB TRP 39 -5.394 6.059 -0.721 264 HB3 TRP 39 2HB TRP 39 -4.769 4.498 -1.247 265 HD1 TRP 39 HD TRP 39 -4.582 8.136 -2.021 266 HE1 TRP 39 1HE TRP 39 -3.167 8.519 -4.137 267 HE3 TRP 39 3HE TRP 39 -4.279 3.309 -3.678 268 HZ2 TRP 39 2HZ TRP 39 -2.069 6.978 -6.231 269 HZ3 TRP 39 3HZ TRP 39 -3.028 2.849 -5.746 270 HH2 TRP 39 HH TRP 39 -1.947 4.647 -6.995 271 H ALA 40 H ALA 40 -7.126 6.844 -0.356 272 HA ALA 40 HA ALA 40 -8.886 8.330 -2.197 273 HB1 ALA 40 3HB ALA 40 -9.285 7.507 0.586 274 HB2 ALA 40 1HB ALA 40 -9.659 9.200 0.263 275 HB3 ALA 40 2HB ALA 40 -10.464 7.928 -0.656 276 H ASP 41 H ASP 41 -8.713 10.572 -2.236 277 HA ASP 41 HA ASP 41 -6.201 11.610 -1.125 278 HB2 ASP 41 1HB ASP 41 -6.469 13.428 -2.803 279 HB3 ASP 41 2HB ASP 41 -6.371 11.827 -3.530 280 H ASN 42 H ASN 42 -6.376 12.714 0.702 281 HA ASN 42 HA ASN 42 -8.817 14.297 1.163 282 HB2 ASN 42 1HB ASN 42 -7.012 12.799 3.041 283 HB3 ASN 42 2HB ASN 42 -8.001 14.132 3.628 284 HD21 ASN 42 1HD2 ASN 42 -9.193 12.749 4.940 285 HD22 ASN 42 2HD2 ASN 42 -10.378 11.669 4.294 286 H SER 43 H SER 43 -6.337 15.069 -0.280 287 HA SER 43 HA SER 43 -5.448 17.268 1.466 288 HB2 SER 43 1HB SER 43 -4.020 16.068 -0.919 289 HB3 SER 43 2HB SER 43 -3.406 17.359 0.113 290 HG SER 43 HG SER 43 -3.836 15.645 1.847 291 H VAL 44 H VAL 44 -7.885 17.401 0.038 292 HA VAL 44 HA VAL 44 -7.242 19.483 -1.950 293 HB VAL 44 HB VAL 44 -9.594 17.586 -1.972 294 HG11 VAL 44 1HG1 VAL 44 -9.471 18.927 -4.400 295 HG12 VAL 44 2HG1 VAL 44 -10.651 19.180 -3.113 296 HG13 VAL 44 3HG1 VAL 44 -9.201 20.181 -3.190 297 HG21 VAL 44 3HG2 VAL 44 -8.003 16.275 -2.911 298 HG22 VAL 44 1HG2 VAL 44 -8.384 17.235 -4.341 299 HG23 VAL 44 2HG2 VAL 44 -6.982 17.643 -3.353 300 HA PRO 45 HA PRO 45 -9.555 21.524 1.465 301 HB2 PRO 45 1HB PRO 45 -8.193 23.864 1.269 302 HB3 PRO 45 2HB PRO 45 -7.609 22.489 2.213 303 HG2 PRO 45 1HG PRO 45 -6.829 23.363 -0.541 304 HG3 PRO 45 2HG PRO 45 -5.799 22.799 0.787 305 HD2 PRO 45 1HD PRO 45 -6.523 21.199 -1.274 306 HD3 PRO 45 2HD PRO 45 -6.257 20.580 0.369 307 H LYS 46 H LYS 46 -11.008 23.311 1.397 308 HA LYS 46 HA LYS 46 -12.305 23.667 -1.085 309 HB2 LYS 46 1HB LYS 46 -13.825 25.079 0.073 310 HB3 LYS 46 2HB LYS 46 -13.351 23.826 1.212 311 HG2 LYS 46 1HG LYS 46 -11.730 26.284 1.265 312 HG3 LYS 46 2HG LYS 46 -13.405 26.445 1.800 313 HD2 LYS 46 1HD LYS 46 -11.847 24.144 2.842 314 HD3 LYS 46 2HD LYS 46 -11.440 25.748 3.455 315 HE2 LYS 46 1HE LYS 46 -13.851 26.073 3.998 316 HE3 LYS 46 2HE LYS 46 -14.134 24.397 3.533 317 HZ1 LYS 46 3HZ LYS 46 -13.619 25.116 6.015 318 HZ2 LYS 46 1HZ LYS 46 -12.028 24.882 5.488 319 HZ3 LYS 46 2HZ LYS 46 -13.145 23.616 5.393 320 H ASN 47 H ASN 47 -12.747 25.777 -2.116 321 HA ASN 47 HA ASN 47 -11.947 27.522 -3.348 322 HB2 ASN 47 1HB ASN 47 -10.651 28.342 -0.742 323 HB3 ASN 47 2HB ASN 47 -11.114 29.396 -2.075 324 HD21 ASN 47 1HD2 ASN 47 -11.961 28.469 0.912 325 HD22 ASN 47 2HD2 ASN 47 -13.664 28.751 0.852 326 H GLN 48 H GLN 48 -10.360 25.197 -3.505 327 HA GLN 48 HA GLN 48 -7.619 25.621 -3.126 328 HB2 GLN 48 1HB GLN 48 -8.710 23.426 -3.631 329 HB3 GLN 48 2HB GLN 48 -8.898 23.955 -5.298 330 HG2 GLN 48 1HG GLN 48 -6.308 24.345 -5.125 331 HG3 GLN 48 2HG GLN 48 -6.443 23.167 -3.820 332 HE21 GLN 48 1HE2 GLN 48 -7.595 23.645 -7.144 333 HE22 GLN 48 2HE2 GLN 48 -7.343 22.011 -7.647 334 H LYS 49 H LYS 49 -6.155 26.811 -4.163 335 HA LYS 49 HA LYS 49 -6.941 28.049 -6.719 336 HB2 LYS 49 1HB LYS 49 -6.431 29.422 -4.512 337 HB3 LYS 49 2HB LYS 49 -4.764 29.193 -5.026 338 HG2 LYS 49 1HG LYS 49 -4.980 30.567 -6.818 339 HG3 LYS 49 2HG LYS 49 -6.686 30.178 -7.053 340 HD2 LYS 49 1HD LYS 49 -5.926 31.648 -4.586 341 HD3 LYS 49 2HD LYS 49 -5.889 32.532 -6.113 342 HE2 LYS 49 1HE LYS 49 -8.274 30.886 -5.359 343 HE3 LYS 49 2HE LYS 49 -8.068 32.512 -4.709 344 HZ1 LYS 49 3HZ LYS 49 -7.600 32.632 -7.455 345 HZ2 LYS 49 1HZ LYS 49 -8.886 33.308 -6.588 346 HZ3 LYS 49 2HZ LYS 49 -9.028 31.751 -7.235 347 H THR 50 H THR 50 -3.929 27.305 -4.952 348 HA THR 50 HA THR 50 -2.340 27.095 -7.269 349 HB THR 50 HB THR 50 -0.701 25.918 -5.777 350 HG1 THR 50 1HG THR 50 -2.679 25.200 -4.401 351 HG21 THR 50 3HG2 THR 50 -0.008 27.895 -4.922 352 HG22 THR 50 1HG2 THR 50 -1.566 28.237 -4.170 353 HG23 THR 50 2HG2 THR 50 -1.331 28.542 -5.891 354 H SER 51 H SER 51 -2.811 25.670 -8.829 355 HA SER 51 HA SER 51 -3.458 22.906 -8.056 356 HB2 SER 51 1HB SER 51 -3.951 24.303 -10.697 357 HB3 SER 51 2HB SER 51 -4.455 22.665 -10.280 358 HG SER 51 HG SER 51 -6.116 23.467 -9.286 359 H GLU 52 H GLU 52 -1.120 22.624 -7.673 360 HA GLU 52 HA GLU 52 0.527 22.507 -10.080 361 HB2 GLU 52 1HB GLU 52 1.283 21.945 -7.207 362 HB3 GLU 52 2HB GLU 52 2.391 22.091 -8.565 363 HG2 GLU 52 1HG GLU 52 1.408 24.456 -8.828 364 HG3 GLU 52 2HG GLU 52 0.812 24.222 -7.186 365 H VAL 53 H VAL 53 0.433 20.719 -11.257 366 HA VAL 53 HA VAL 53 -0.743 18.332 -10.691 367 HB VAL 53 HB VAL 53 1.747 18.697 -12.365 368 HG11 VAL 53 1HG1 VAL 53 0.268 16.352 -11.665 369 HG12 VAL 53 2HG1 VAL 53 0.083 16.669 -13.391 370 HG13 VAL 53 3HG1 VAL 53 1.694 16.502 -12.691 371 HG21 VAL 53 3HG2 VAL 53 -0.030 18.676 -14.222 372 HG22 VAL 53 1HG2 VAL 53 -1.177 19.044 -12.935 373 HG23 VAL 53 2HG2 VAL 53 0.157 20.148 -13.270 374 H ARG 54 H ARG 54 -0.321 16.563 -9.513 375 HA ARG 54 HA ARG 54 2.343 16.339 -8.271 376 HB2 ARG 54 1HB ARG 54 -0.149 15.324 -6.940 377 HB3 ARG 54 2HB ARG 54 1.408 15.713 -6.221 378 HG2 ARG 54 1HG ARG 54 0.188 17.498 -5.514 379 HG3 ARG 54 2HG ARG 54 0.800 18.140 -7.040 380 HD2 ARG 54 1HD ARG 54 -1.295 17.443 -8.138 381 HD3 ARG 54 2HD ARG 54 -1.903 16.882 -6.581 382 HE ARG 54 HE ARG 54 -1.808 19.581 -7.521 383 HH11 ARG 54 1HH1 ARG 54 -1.718 17.577 -4.676 384 HH12 ARG 54 2HH1 ARG 54 -2.318 18.816 -3.624 385 HH21 ARG 54 1HH2 ARG 54 -2.597 21.222 -6.147 386 HH22 ARG 54 2HH2 ARG 54 -2.818 20.889 -4.462 387 H LEU 55 H LEU 55 3.226 14.293 -8.070 388 HA LEU 55 HA LEU 55 1.923 12.225 -9.700 389 HB2 LEU 55 1HB LEU 55 4.072 12.827 -10.541 390 HB3 LEU 55 2HB LEU 55 4.800 12.679 -8.942 391 HG LEU 55 HG LEU 55 3.948 10.160 -9.259 392 HD11 LEU 55 1HD1 LEU 55 4.741 9.720 -11.742 393 HD12 LEU 55 2HD1 LEU 55 4.095 11.344 -11.977 394 HD13 LEU 55 3HD1 LEU 55 3.055 10.065 -11.351 395 HD21 LEU 55 3HD2 LEU 55 6.226 10.896 -8.724 396 HD22 LEU 55 1HD2 LEU 55 6.498 11.274 -10.425 397 HD23 LEU 55 2HD2 LEU 55 6.219 9.605 -9.927 398 H TYR 56 H TYR 56 1.629 10.155 -8.940 399 HA TYR 56 HA TYR 56 2.126 9.764 -6.061 400 HB2 TYR 56 1HB TYR 56 -0.216 8.970 -7.776 401 HB3 TYR 56 2HB TYR 56 0.121 8.154 -6.254 402 HD1 TYR 56 1HD TYR 56 -0.240 11.628 -7.592 403 HD2 TYR 56 2HD TYR 56 -0.922 8.950 -4.356 404 HE1 TYR 56 1HE TYR 56 -1.440 13.403 -6.384 405 HE2 TYR 56 2HE TYR 56 -2.126 10.718 -3.140 406 HH TYR 56 HH TYR 56 -3.157 12.760 -3.405 407 H THR 57 H THR 57 3.243 8.014 -5.459 408 HA THR 57 HA THR 57 3.924 6.046 -7.543 409 HB THR 57 HB THR 57 5.506 6.646 -5.039 410 HG1 THR 57 1HG THR 57 5.621 8.455 -6.355 411 HG21 THR 57 3HG2 THR 57 7.257 5.370 -6.070 412 HG22 THR 57 1HG2 THR 57 6.331 5.209 -7.561 413 HG23 THR 57 2HG2 THR 57 5.788 4.395 -6.094 414 H VAL 58 H VAL 58 4.088 3.829 -6.952 415 HA VAL 58 HA VAL 58 2.748 3.098 -4.437 416 HB VAL 58 HB VAL 58 2.204 1.718 -7.065 417 HG11 VAL 58 1HG1 VAL 58 0.719 0.376 -5.940 418 HG12 VAL 58 2HG1 VAL 58 1.956 0.605 -4.703 419 HG13 VAL 58 3HG1 VAL 58 0.468 1.550 -4.649 420 HG21 VAL 58 3HG2 VAL 58 0.470 3.714 -5.610 421 HG22 VAL 58 1HG2 VAL 58 1.340 4.014 -7.115 422 HG23 VAL 58 2HG2 VAL 58 0.036 2.827 -7.071 423 H ARG 59 H ARG 59 4.137 1.940 -3.286 424 HA ARG 59 HA ARG 59 6.004 0.154 -4.696 425 HB2 ARG 59 1HB ARG 59 7.527 0.401 -2.900 426 HB3 ARG 59 2HB ARG 59 6.929 2.018 -3.246 427 HG2 ARG 59 1HG ARG 59 5.202 1.486 -1.373 428 HG3 ARG 59 2HG ARG 59 6.381 0.259 -0.903 429 HD2 ARG 59 1HD ARG 59 7.114 3.143 -1.336 430 HD3 ARG 59 2HD ARG 59 6.586 2.519 0.226 431 HE ARG 59 HE ARG 59 9.141 2.121 -1.027 432 HH11 ARG 59 1HH1 ARG 59 6.850 0.854 1.268 433 HH12 ARG 59 2HH1 ARG 59 8.041 -0.028 2.167 434 HH21 ARG 59 1HH2 ARG 59 10.718 0.965 0.148 435 HH22 ARG 59 2HH2 ARG 59 10.240 0.037 1.529 436 H TRP 60 H TRP 60 6.365 -1.948 -3.891 437 HA TRP 60 HA TRP 60 4.791 -2.978 -1.715 438 HB2 TRP 60 1HB TRP 60 3.489 -4.574 -3.016 439 HB3 TRP 60 2HB TRP 60 3.123 -2.931 -3.538 440 HD1 TRP 60 HD TRP 60 4.812 -6.148 -4.734 441 HE1 TRP 60 1HE TRP 60 5.143 -6.005 -7.283 442 HE3 TRP 60 3HE TRP 60 3.428 -1.280 -5.461 443 HZ2 TRP 60 2HZ TRP 60 4.856 -4.083 -9.330 444 HZ3 TRP 60 3HZ TRP 60 3.485 -0.366 -7.744 445 HH2 TRP 60 HH TRP 60 4.185 -1.740 -9.638 446 H ARG 61 H ARG 61 5.509 -4.974 -0.992 447 HA ARG 61 HA ARG 61 7.380 -6.529 -2.536 448 HB2 ARG 61 1HB ARG 61 9.327 -6.148 -1.356 449 HB3 ARG 61 2HB ARG 61 8.622 -4.537 -1.372 450 HG2 ARG 61 1HG ARG 61 8.905 -4.531 0.829 451 HG3 ARG 61 2HG ARG 61 7.569 -5.682 0.908 452 HD2 ARG 61 1HD ARG 61 9.004 -7.519 1.047 453 HD3 ARG 61 2HD ARG 61 10.382 -6.603 0.437 454 HE ARG 61 HE ARG 61 10.854 -6.030 2.587 455 HH11 ARG 61 1HH1 ARG 61 7.475 -6.843 2.386 456 HH12 ARG 61 2HH1 ARG 61 7.196 -6.662 4.086 457 HH21 ARG 61 1HH2 ARG 61 10.500 -5.789 4.827 458 HH22 ARG 61 2HH2 ARG 61 8.917 -6.062 5.474 459 H THR 62 H THR 62 7.712 -8.595 -1.700 460 HA THR 62 HA THR 62 5.761 -9.968 -0.523 461 HB THR 62 HB THR 62 7.607 -11.424 0.591 462 HG1 THR 62 1HG THR 62 9.643 -10.836 -0.733 463 HG21 THR 62 3HG2 THR 62 6.478 -11.442 -1.855 464 HG22 THR 62 1HG2 THR 62 7.690 -12.613 -1.337 465 HG23 THR 62 2HG2 THR 62 8.169 -11.217 -2.302 466 H SER 63 H SER 63 4.709 -10.038 1.353 467 HA SER 63 HA SER 63 5.486 -8.291 3.500 468 HB2 SER 63 1HB SER 63 3.391 -8.885 4.519 469 HB3 SER 63 2HB SER 63 3.103 -8.692 2.790 470 HG SER 63 HG SER 63 2.989 -10.878 2.561 471 H PHE 64 H PHE 64 6.856 -8.811 5.056 472 HA PHE 64 HA PHE 64 8.021 -9.986 6.617 473 HB2 PHE 64 1HB PHE 64 5.885 -12.099 6.268 474 HB3 PHE 64 2HB PHE 64 6.997 -11.949 7.624 475 HD1 PHE 64 1HD PHE 64 4.025 -10.559 6.002 476 HD2 PHE 64 2HD PHE 64 6.654 -10.302 9.340 477 HE1 PHE 64 1HE PHE 64 2.400 -9.124 7.167 478 HE2 PHE 64 2HE PHE 64 5.033 -8.867 10.510 479 HZ PHE 64 HZ PHE 64 2.903 -8.277 9.424 480 H SER 65 H SER 65 9.188 -10.079 4.271 481 HA SER 65 HA SER 65 9.935 -12.903 3.871 482 HB2 SER 65 1HB SER 65 8.940 -12.213 1.840 483 HB3 SER 65 2HB SER 65 9.724 -10.635 1.896 484 HG SER 65 HG SER 65 10.639 -12.288 0.426 485 H ALA 66 H ALA 66 11.930 -13.398 4.468 486 HA ALA 66 HA ALA 66 13.759 -11.834 5.690 487 HB1 ALA 66 3HB ALA 66 15.188 -13.588 5.572 488 HB2 ALA 66 1HB ALA 66 13.739 -14.413 4.997 489 HB3 ALA 66 2HB ALA 66 14.935 -13.823 3.843 490 H SER 67 H SER 67 14.367 -12.813 2.320 491 HA SER 67 HA SER 67 15.631 -10.189 1.889 492 HB2 SER 67 1HB SER 67 16.181 -12.900 0.684 493 HB3 SER 67 2HB SER 67 16.795 -11.412 -0.036 494 HG SER 67 HG SER 67 18.183 -11.199 1.555 495 H ALA 68 H ALA 68 14.581 -8.824 0.620 496 HA ALA 68 HA ALA 68 13.349 -9.653 -1.829 497 HB1 ALA 68 3HB ALA 68 11.103 -9.306 -1.377 498 HB2 ALA 68 1HB ALA 68 11.663 -10.141 0.073 499 HB3 ALA 68 2HB ALA 68 11.435 -8.391 0.094 500 H LYS 69 H LYS 69 12.768 -7.895 -3.173 501 HA LYS 69 HA LYS 69 14.014 -5.369 -2.356 502 HB2 LYS 69 1HB LYS 69 14.116 -4.845 -4.741 503 HB3 LYS 69 2HB LYS 69 14.869 -6.400 -4.411 504 HG2 LYS 69 1HG LYS 69 13.658 -6.970 -6.239 505 HG3 LYS 69 2HG LYS 69 12.439 -7.279 -5.000 506 HD2 LYS 69 1HD LYS 69 11.524 -5.021 -5.373 507 HD3 LYS 69 2HD LYS 69 12.713 -4.767 -6.652 508 HE2 LYS 69 1HE LYS 69 10.608 -5.404 -7.637 509 HE3 LYS 69 2HE LYS 69 11.772 -6.710 -7.858 510 HZ1 LYS 69 3HZ LYS 69 9.961 -6.748 -5.539 511 HZ2 LYS 69 1HZ LYS 69 10.700 -8.042 -6.342 512 HZ3 LYS 69 2HZ LYS 69 9.389 -7.243 -7.052 513 H TYR 70 H TYR 70 12.943 -3.423 -2.449 514 HA TYR 70 HA TYR 70 10.054 -3.580 -2.335 515 HB2 TYR 70 1HB TYR 70 12.127 -1.634 -1.525 516 HB3 TYR 70 2HB TYR 70 10.586 -0.942 -2.020 517 HD1 TYR 70 2HD TYR 70 12.280 -3.048 0.459 518 HD2 TYR 70 1HD TYR 70 8.588 -1.280 -0.700 519 HE1 TYR 70 2HE TYR 70 11.353 -3.540 2.684 520 HE2 TYR 70 1HE TYR 70 7.651 -1.766 1.521 521 HH TYR 70 HH TYR 70 8.101 -3.440 3.383 522 H LYS 71 H LYS 71 8.950 -3.542 -4.175 523 HA LYS 71 HA LYS 71 9.973 -2.326 -6.566 524 HB2 LYS 71 1HB LYS 71 8.356 -4.391 -6.233 525 HB3 LYS 71 2HB LYS 71 7.113 -3.149 -6.298 526 HG2 LYS 71 1HG LYS 71 7.620 -2.582 -8.496 527 HG3 LYS 71 2HG LYS 71 9.215 -3.334 -8.422 528 HD2 LYS 71 1HD LYS 71 8.171 -5.542 -8.303 529 HD3 LYS 71 2HD LYS 71 6.573 -4.794 -8.359 530 HE2 LYS 71 1HE LYS 71 7.307 -3.761 -10.563 531 HE3 LYS 71 2HE LYS 71 8.673 -4.873 -10.510 532 HZ1 LYS 71 3HZ LYS 71 5.857 -5.416 -11.005 533 HZ2 LYS 71 1HZ LYS 71 6.691 -6.567 -10.086 534 HZ3 LYS 71 2HZ LYS 71 7.233 -6.169 -11.638 535 H SER 72 H SER 72 8.576 -0.801 -7.850 536 HA SER 72 HA SER 72 6.810 0.943 -6.406 537 HB2 SER 72 1HB SER 72 9.208 2.373 -7.465 538 HB3 SER 72 2HB SER 72 8.117 2.827 -6.157 539 HG SER 72 HG SER 72 10.229 2.142 -5.454 540 H GLU 73 H GLU 73 5.562 2.188 -7.755 541 HA GLU 73 HA GLU 73 6.269 2.369 -10.579 542 HB2 GLU 73 1HB GLU 73 4.895 0.247 -10.110 543 HB3 GLU 73 2HB GLU 73 3.550 1.336 -9.802 544 HG2 GLU 73 1HG GLU 73 5.114 1.395 -12.362 545 HG3 GLU 73 2HG GLU 73 3.718 0.345 -12.123 546 H ASP 74 H ASP 74 5.661 4.253 -11.459 547 HA ASP 74 HA ASP 74 4.237 6.146 -9.779 548 HB2 ASP 74 1HB ASP 74 5.774 6.390 -12.358 549 HB3 ASP 74 2HB ASP 74 4.807 7.722 -11.728 550 H THR 75 H THR 75 2.270 7.038 -10.208 551 HA THR 75 HA THR 75 0.909 6.462 -12.708 552 HB THR 75 HB THR 75 0.372 4.481 -11.373 553 HG1 THR 75 1HG THR 75 -1.250 5.514 -12.748 554 HG21 THR 75 3HG2 THR 75 0.373 6.230 -9.222 555 HG22 THR 75 1HG2 THR 75 -0.119 4.537 -9.192 556 HG23 THR 75 2HG2 THR 75 -1.326 5.803 -9.422 557 H THR 76 H THR 76 -0.629 7.957 -13.219 558 HA THR 76 HA THR 76 -0.806 10.271 -11.452 559 HB THR 76 HB THR 76 -2.008 11.298 -13.459 560 HG1 THR 76 1HG THR 76 -1.212 10.010 -15.435 561 HG21 THR 76 3HG2 THR 76 0.523 11.400 -12.797 562 HG22 THR 76 1HG2 THR 76 -0.006 12.008 -14.365 563 HG23 THR 76 2HG2 THR 76 0.737 10.413 -14.243 564 H SER 77 H SER 77 -2.245 7.819 -10.800 565 HA SER 77 HA SER 77 -4.927 8.977 -10.622 566 HB2 SER 77 1HB SER 77 -4.321 6.171 -11.577 567 HB3 SER 77 2HB SER 77 -5.925 6.726 -11.098 568 HG SER 77 HG SER 77 -5.187 8.510 -12.771 569 H LEU 78 H LEU 78 -6.296 7.721 -9.025 570 HA LEU 78 HA LEU 78 -4.657 7.180 -6.672 571 HB2 LEU 78 1HB LEU 78 -7.629 7.572 -6.989 572 HB3 LEU 78 2HB LEU 78 -6.810 7.291 -5.453 573 HG LEU 78 HG LEU 78 -6.102 9.641 -7.180 574 HD11 LEU 78 1HD1 LEU 78 -7.903 10.830 -6.592 575 HD12 LEU 78 2HD1 LEU 78 -7.942 10.153 -4.964 576 HD13 LEU 78 3HD1 LEU 78 -8.656 9.261 -6.307 577 HD21 LEU 78 3HD2 LEU 78 -6.002 9.260 -4.192 578 HD22 LEU 78 1HD2 LEU 78 -5.292 10.571 -5.135 579 HD23 LEU 78 2HD2 LEU 78 -4.647 8.935 -5.274 580 H SER 79 H SER 79 -4.989 5.258 -8.923 581 HA SER 79 HA SER 79 -5.546 2.934 -7.290 582 HB2 SER 79 1HB SER 79 -7.237 1.981 -8.699 583 HB3 SER 79 2HB SER 79 -7.763 3.614 -8.291 584 HG SER 79 HG SER 79 -7.993 3.698 -10.400 585 H TYR 80 H TYR 80 -4.248 1.280 -7.819 586 HA TYR 80 HA TYR 80 -2.960 1.299 -10.462 587 HB2 TYR 80 1HB TYR 80 -1.365 2.240 -8.878 588 HB3 TYR 80 2HB TYR 80 -1.581 0.862 -7.804 589 HD1 TYR 80 1HD TYR 80 -0.240 1.919 -11.083 590 HD2 TYR 80 2HD TYR 80 -0.397 -1.168 -8.159 591 HE1 TYR 80 1HE TYR 80 1.592 0.747 -12.231 592 HE2 TYR 80 2HE TYR 80 1.436 -2.348 -9.298 593 HH TYR 80 HH TYR 80 2.533 -1.456 -12.424 594 H THR 81 H THR 81 -2.320 -0.733 -11.262 595 HA THR 81 HA THR 81 -3.570 -3.017 -9.879 596 HB THR 81 HB THR 81 -3.102 -2.814 -12.854 597 HG1 THR 81 1HG THR 81 -4.956 -1.792 -13.019 598 HG21 THR 81 3HG2 THR 81 -4.155 -4.846 -11.030 599 HG22 THR 81 1HG2 THR 81 -3.536 -5.012 -12.673 600 HG23 THR 81 2HG2 THR 81 -5.206 -4.511 -12.406 601 H ALA 82 H ALA 82 -1.844 -3.861 -8.797 602 HA ALA 82 HA ALA 82 0.757 -4.112 -9.951 603 HB1 ALA 82 3HB ALA 82 1.404 -5.130 -7.933 604 HB2 ALA 82 1HB ALA 82 0.188 -3.935 -7.480 605 HB3 ALA 82 2HB ALA 82 -0.243 -5.643 -7.567 606 H THR 83 H THR 83 0.990 -5.391 -11.685 607 HA THR 83 HA THR 83 -0.279 -8.043 -11.663 608 HB THR 83 HB THR 83 -0.005 -8.113 -14.047 609 HG1 THR 83 1HG THR 83 1.454 -5.685 -13.723 610 HG21 THR 83 3HG2 THR 83 -1.092 -5.521 -12.984 611 HG22 THR 83 1HG2 THR 83 -1.974 -6.952 -13.514 612 HG23 THR 83 2HG2 THR 83 -1.171 -5.922 -14.699 613 H GLY 84 H GLY 84 0.970 -9.866 -12.492 614 HA2 GLY 84 1HA GLY 84 2.865 -11.167 -12.671 615 HA3 GLY 84 2HA GLY 84 3.813 -9.689 -12.738 616 H LEU 85 H LEU 85 1.676 -11.030 -10.227 617 HA LEU 85 HA LEU 85 3.897 -10.730 -8.323 618 HB2 LEU 85 1HB LEU 85 1.082 -11.163 -7.453 619 HB3 LEU 85 2HB LEU 85 2.382 -10.283 -6.652 620 HG LEU 85 HG LEU 85 1.237 -9.186 -9.179 621 HD11 LEU 85 1HD1 LEU 85 -0.362 -9.792 -6.936 622 HD12 LEU 85 2HD1 LEU 85 -0.786 -8.831 -8.352 623 HD13 LEU 85 3HD1 LEU 85 -0.096 -8.048 -6.930 624 HD21 LEU 85 3HD2 LEU 85 2.729 -8.213 -6.802 625 HD22 LEU 85 1HD2 LEU 85 1.630 -7.095 -7.609 626 HD23 LEU 85 2HD2 LEU 85 2.951 -7.838 -8.512 627 H LYS 86 H LYS 86 3.254 -12.308 -6.294 628 HA LYS 86 HA LYS 86 3.463 -14.988 -7.447 629 HB2 LYS 86 1HB LYS 86 5.173 -14.095 -5.805 630 HB3 LYS 86 2HB LYS 86 3.920 -14.183 -4.574 631 HG2 LYS 86 1HG LYS 86 3.702 -16.631 -5.147 632 HG3 LYS 86 2HG LYS 86 5.176 -16.444 -6.101 633 HD2 LYS 86 1HD LYS 86 5.032 -15.627 -3.212 634 HD3 LYS 86 2HD LYS 86 5.426 -17.278 -3.698 635 HE2 LYS 86 1HE LYS 86 7.143 -15.983 -5.263 636 HE3 LYS 86 2HE LYS 86 6.998 -14.776 -3.987 637 HZ1 LYS 86 3HZ LYS 86 8.695 -16.050 -3.186 638 HZ2 LYS 86 1HZ LYS 86 8.110 -17.485 -3.864 639 HZ3 LYS 86 2HZ LYS 86 7.387 -16.851 -2.473 640 HA PRO 87 HA PRO 87 -0.686 -15.953 -6.264 641 HB2 PRO 87 1HB PRO 87 -0.514 -18.649 -6.536 642 HB3 PRO 87 2HB PRO 87 -0.613 -17.548 -7.916 643 HG2 PRO 87 1HG PRO 87 1.790 -18.870 -6.716 644 HG3 PRO 87 2HG PRO 87 1.366 -18.660 -8.424 645 HD2 PRO 87 1HD PRO 87 3.155 -17.068 -7.161 646 HD3 PRO 87 2HD PRO 87 2.112 -16.479 -8.471 647 H ASN 88 H ASN 88 -1.820 -16.765 -4.505 648 HA ASN 88 HA ASN 88 -2.137 -17.230 -2.297 649 HB2 ASN 88 1HB ASN 88 -1.319 -19.479 -3.430 650 HB3 ASN 88 2HB ASN 88 0.075 -19.237 -2.381 651 HD21 ASN 88 1HD2 ASN 88 -3.407 -19.637 -2.450 652 HD22 ASN 88 2HD2 ASN 88 -3.561 -20.220 -0.831 653 H THR 89 H THR 89 -0.076 -15.235 -3.021 654 HA THR 89 HA THR 89 1.364 -15.246 -0.457 655 HB THR 89 HB THR 89 2.597 -14.285 -3.043 656 HG1 THR 89 1HG THR 89 3.158 -16.682 -1.604 657 HG21 THR 89 3HG2 THR 89 3.248 -13.485 -0.587 658 HG22 THR 89 1HG2 THR 89 4.460 -13.741 -1.842 659 HG23 THR 89 2HG2 THR 89 4.173 -14.986 -0.626 660 H MET 90 H MET 90 1.233 -13.390 0.655 661 HA MET 90 HA MET 90 -0.058 -11.106 -0.668 662 HB2 MET 90 1HB MET 90 -1.271 -11.975 1.254 663 HB3 MET 90 2HB MET 90 0.160 -11.813 2.263 664 HG2 MET 90 1HG MET 90 -0.832 -9.379 0.901 665 HG3 MET 90 2HG MET 90 -1.786 -10.015 2.238 666 HE1 MET 90 3HE MET 90 -0.457 -11.133 4.120 667 HE2 MET 90 1HE MET 90 1.068 -10.550 4.788 668 HE3 MET 90 2HE MET 90 -0.437 -9.712 5.166 669 H TYR 91 H TYR 91 0.706 -8.975 -0.272 670 HA TYR 91 HA TYR 91 3.417 -8.768 0.828 671 HB2 TYR 91 1HB TYR 91 2.974 -7.089 -1.536 672 HB3 TYR 91 2HB TYR 91 4.373 -8.057 -1.088 673 HD1 TYR 91 1HD TYR 91 3.807 -10.723 -1.202 674 HD2 TYR 91 2HD TYR 91 1.963 -7.667 -3.518 675 HE1 TYR 91 1HE TYR 91 3.206 -12.388 -2.910 676 HE2 TYR 91 2HE TYR 91 1.357 -9.323 -5.232 677 HH TYR 91 HH TYR 91 0.953 -11.974 -5.168 678 H GLU 92 H GLU 92 3.973 -6.184 0.504 679 HA GLU 92 HA GLU 92 1.856 -4.864 2.041 680 HB2 GLU 92 1HB GLU 92 4.813 -4.386 1.771 681 HB3 GLU 92 2HB GLU 92 3.750 -3.160 2.447 682 HG2 GLU 92 1HG GLU 92 3.057 -4.695 4.196 683 HG3 GLU 92 2HG GLU 92 4.072 -5.959 3.505 684 H PHE 93 H PHE 93 1.023 -2.869 1.472 685 HA PHE 93 HA PHE 93 1.829 -1.777 -1.133 686 HB2 PHE 93 1HB PHE 93 -0.996 -2.369 -0.234 687 HB3 PHE 93 2HB PHE 93 -0.599 -1.374 -1.631 688 HD1 PHE 93 2HD PHE 93 -0.302 -4.778 -0.218 689 HD2 PHE 93 1HD PHE 93 -0.080 -2.345 -3.704 690 HE1 PHE 93 2HE PHE 93 -0.189 -6.798 -1.618 691 HE2 PHE 93 1HE PHE 93 0.032 -4.361 -5.109 692 HZ PHE 93 HZ PHE 93 -0.021 -6.592 -4.066 693 H SER 94 H SER 94 1.920 0.400 -1.237 694 HA SER 94 HA SER 94 0.630 1.999 0.839 695 HB2 SER 94 1HB SER 94 3.132 1.319 1.364 696 HB3 SER 94 2HB SER 94 3.491 2.626 0.235 697 HG SER 94 HG SER 94 1.679 3.011 2.358 698 H VAL 95 H VAL 95 1.397 4.451 0.341 699 HA VAL 95 HA VAL 95 1.594 4.989 -2.495 700 HB VAL 95 HB VAL 95 -0.872 5.852 -0.976 701 HG11 VAL 95 1HG1 VAL 95 -0.320 6.250 -3.902 702 HG12 VAL 95 2HG1 VAL 95 -1.556 7.012 -2.899 703 HG13 VAL 95 3HG1 VAL 95 0.141 7.447 -2.691 704 HG21 VAL 95 3HG2 VAL 95 -0.916 3.481 -1.619 705 HG22 VAL 95 1HG2 VAL 95 -2.104 4.429 -2.515 706 HG23 VAL 95 2HG2 VAL 95 -0.599 3.937 -3.293 707 H MET 96 H MET 96 2.274 7.069 -2.952 708 HA MET 96 HA MET 96 2.438 9.013 -0.790 709 HB2 MET 96 1HB MET 96 4.855 9.377 -1.153 710 HB3 MET 96 2HB MET 96 4.505 7.772 -0.523 711 HG2 MET 96 1HG MET 96 6.015 7.250 -2.140 712 HG3 MET 96 2HG MET 96 4.519 7.120 -3.062 713 HE1 MET 96 3HE MET 96 6.902 9.929 -1.804 714 HE2 MET 96 1HE MET 96 7.975 8.917 -2.771 715 HE3 MET 96 2HE MET 96 7.578 10.548 -3.311 716 H VAL 97 H VAL 97 3.535 11.088 -1.670 717 HA VAL 97 HA VAL 97 2.929 11.478 -4.513 718 HB VAL 97 HB VAL 97 0.932 12.242 -3.418 719 HG11 VAL 97 1HG1 VAL 97 1.164 12.762 -1.249 720 HG12 VAL 97 2HG1 VAL 97 2.838 13.282 -1.452 721 HG13 VAL 97 3HG1 VAL 97 1.517 14.385 -1.839 722 HG21 VAL 97 3HG2 VAL 97 0.781 14.384 -4.328 723 HG22 VAL 97 1HG2 VAL 97 2.461 14.766 -3.949 724 HG23 VAL 97 2HG2 VAL 97 2.085 13.635 -5.250 725 H THR 98 H THR 98 4.213 12.948 -5.553 726 HA THR 98 HA THR 98 6.315 14.229 -3.929 727 HB THR 98 HB THR 98 6.585 13.188 -6.756 728 HG1 THR 98 1HG THR 98 6.512 11.681 -4.807 729 HG21 THR 98 3HG2 THR 98 8.061 15.148 -5.387 730 HG22 THR 98 1HG2 THR 98 8.482 14.350 -6.901 731 HG23 THR 98 2HG2 THR 98 9.052 13.690 -5.368 732 H LYS 99 H LYS 99 5.428 16.252 -3.761 733 HA LYS 99 HA LYS 99 5.100 17.721 -6.294 734 HB2 LYS 99 1HB LYS 99 2.969 17.202 -4.894 735 HB3 LYS 99 2HB LYS 99 3.570 18.454 -3.816 736 HG2 LYS 99 1HG LYS 99 3.669 19.958 -5.858 737 HG3 LYS 99 2HG LYS 99 2.723 18.716 -6.683 738 HD2 LYS 99 1HD LYS 99 1.043 20.071 -5.906 739 HD3 LYS 99 2HD LYS 99 1.187 18.941 -4.558 740 HE2 LYS 99 1HE LYS 99 2.709 20.557 -3.443 741 HE3 LYS 99 2HE LYS 99 2.401 21.695 -4.754 742 HZ1 LYS 99 3HZ LYS 99 0.993 21.628 -2.498 743 HZ2 LYS 99 1HZ LYS 99 0.047 20.603 -3.455 744 HZ3 LYS 99 2HZ LYS 99 0.367 22.183 -3.968 745 H ASN 100 H ASN 100 5.905 19.805 -6.373 746 HA ASN 100 HA ASN 100 7.118 21.646 -5.777 747 HB2 ASN 100 1HB ASN 100 5.739 21.299 -3.562 748 HB3 ASN 100 2HB ASN 100 7.289 20.760 -2.921 749 HD21 ASN 100 1HD2 ASN 100 5.442 23.234 -2.696 750 HD22 ASN 100 2HD2 ASN 100 6.557 24.552 -2.781 751 H ARG 101 H ARG 101 8.415 19.517 -6.846 752 HA ARG 101 HA ARG 101 10.422 18.444 -7.042 753 HB2 ARG 101 1HB ARG 101 12.356 19.842 -6.722 754 HB3 ARG 101 2HB ARG 101 11.046 20.835 -7.346 755 HG2 ARG 101 1HG ARG 101 10.698 21.875 -5.272 756 HG3 ARG 101 2HG ARG 101 11.647 20.659 -4.413 757 HD2 ARG 101 1HD ARG 101 13.669 21.511 -5.194 758 HD3 ARG 101 2HD ARG 101 12.900 22.370 -6.528 759 HE ARG 101 HE ARG 101 12.000 23.386 -4.045 760 HH11 ARG 101 1HH1 ARG 101 14.756 23.385 -6.172 761 HH12 ARG 101 2HH1 ARG 101 15.334 24.928 -5.638 762 HH21 ARG 101 1HH2 ARG 101 12.750 25.420 -3.333 763 HH22 ARG 101 2HH2 ARG 101 14.193 26.084 -4.022 764 H ARG 102 H ARG 102 8.898 17.860 -4.627 765 HA ARG 102 HA ARG 102 11.062 16.670 -3.090 766 HB2 ARG 102 1HB ARG 102 10.435 17.537 -0.992 767 HB3 ARG 102 2HB ARG 102 10.450 18.928 -2.068 768 HG2 ARG 102 1HG ARG 102 8.105 19.025 -2.152 769 HG3 ARG 102 2HG ARG 102 7.935 17.409 -1.464 770 HD2 ARG 102 1HD ARG 102 7.463 18.725 0.362 771 HD3 ARG 102 2HD ARG 102 9.193 18.458 0.569 772 HE ARG 102 HE ARG 102 8.890 20.781 -0.925 773 HH11 ARG 102 1HH1 ARG 102 8.109 19.619 2.263 774 HH12 ARG 102 2HH1 ARG 102 8.209 21.184 3.000 775 HH21 ARG 102 1HH2 ARG 102 9.024 22.847 0.034 776 HH22 ARG 102 2HH2 ARG 102 8.728 23.019 1.731 777 H SER 103 H SER 103 10.474 14.800 -1.995 778 HA SER 103 HA SER 103 7.838 13.738 -2.737 779 HB2 SER 103 1HB SER 103 8.927 11.504 -2.167 780 HB3 SER 103 2HB SER 103 9.564 12.339 -3.584 781 HG SER 103 HG SER 103 11.295 13.058 -2.317 782 H SER 104 H SER 104 6.457 12.877 -1.235 783 HA SER 104 HA SER 104 6.984 13.635 1.535 784 HB2 SER 104 1HB SER 104 4.685 13.666 1.864 785 HB3 SER 104 2HB SER 104 4.798 14.116 0.163 786 HG SER 104 HG SER 104 4.278 11.520 1.189 787 H THR 105 H THR 105 5.578 11.963 3.037 788 HA THR 105 HA THR 105 7.112 9.500 2.868 789 HB THR 105 HB THR 105 6.854 10.778 5.024 790 HG1 THR 105 1HG THR 105 7.381 8.862 5.733 791 HG21 THR 105 3HG2 THR 105 4.609 11.454 5.068 792 HG22 THR 105 1HG2 THR 105 4.693 10.164 6.268 793 HG23 THR 105 2HG2 THR 105 4.022 9.840 4.669 794 H TRP 106 H TRP 106 6.093 7.404 3.185 795 HA TRP 106 HA TRP 106 3.759 7.126 1.515 796 HB2 TRP 106 1HB TRP 106 5.284 4.992 3.024 797 HB3 TRP 106 2HB TRP 106 4.137 4.734 1.712 798 HD1 TRP 106 HD TRP 106 7.687 6.064 2.354 799 HE1 TRP 106 1HE TRP 106 8.990 6.004 0.134 800 HE3 TRP 106 3HE TRP 106 3.880 4.729 -0.786 801 HZ2 TRP 106 2HZ TRP 106 8.471 5.463 -2.587 802 HZ3 TRP 106 3HZ TRP 106 4.367 4.462 -3.183 803 HH2 TRP 106 HH TRP 106 6.615 4.822 -4.063 804 H SER 107 H SER 107 1.725 6.542 2.112 805 HA SER 107 HA SER 107 0.985 6.989 4.851 806 HB2 SER 107 1HB SER 107 -0.447 7.772 3.012 807 HB3 SER 107 2HB SER 107 -0.696 6.106 2.491 808 HG SER 107 HG SER 107 -2.012 5.766 4.138 809 H MET 108 H MET 108 -0.635 5.431 5.884 810 HA MET 108 HA MET 108 0.475 3.192 6.808 811 HB2 MET 108 1HB MET 108 -1.838 2.219 7.052 812 HB3 MET 108 2HB MET 108 -1.644 3.855 7.669 813 HG2 MET 108 1HG MET 108 -2.920 4.784 6.002 814 HG3 MET 108 2HG MET 108 -2.616 3.456 4.884 815 HE1 MET 108 3HE MET 108 -3.615 1.491 4.680 816 HE2 MET 108 1HE MET 108 -5.029 0.837 5.509 817 HE3 MET 108 2HE MET 108 -5.222 2.125 4.319 818 H THR 109 H THR 109 0.462 0.950 6.340 819 HA THR 109 HA THR 109 0.508 0.392 3.469 820 HB THR 109 HB THR 109 1.550 -1.244 5.790 821 HG1 THR 109 1HG THR 109 3.556 -0.505 5.101 822 HG21 THR 109 3HG2 THR 109 2.334 -1.735 2.959 823 HG22 THR 109 1HG2 THR 109 0.783 -2.356 3.519 824 HG23 THR 109 2HG2 THR 109 2.273 -2.852 4.322 825 H ALA 110 H ALA 110 -0.841 -1.008 2.481 826 HA ALA 110 HA ALA 110 -2.943 -2.228 4.138 827 HB1 ALA 110 3HB ALA 110 -4.253 -2.309 2.016 828 HB2 ALA 110 1HB ALA 110 -3.848 -0.679 2.557 829 HB3 ALA 110 2HB ALA 110 -2.945 -1.421 1.235 830 H HIS 111 H HIS 111 -3.057 -4.370 4.304 831 HA HIS 111 HA HIS 111 -1.248 -5.999 2.696 832 HB2 HIS 111 1HB HIS 111 -2.689 -6.368 5.286 833 HB3 HIS 111 2HB HIS 111 -2.239 -7.800 4.366 834 HD1 HIS 111 1HD HIS 111 0.529 -6.675 3.347 835 HD2 HIS 111 2HD HIS 111 -0.812 -6.647 7.280 836 HE1 HIS 111 1HE HIS 111 2.603 -6.553 4.764 837 HE2 HIS 111 2HE HIS 111 1.771 -6.623 7.140 838 H ALA 112 H ALA 112 -1.885 -7.483 1.227 839 HA ALA 112 HA ALA 112 -4.646 -8.341 1.067 840 HB1 ALA 112 3HB ALA 112 -3.415 -6.790 -1.207 841 HB2 ALA 112 1HB ALA 112 -4.990 -7.584 -1.222 842 HB3 ALA 112 2HB ALA 112 -4.701 -6.217 -0.146 843 H THR 113 H THR 113 -4.552 -10.448 0.706 844 HA THR 113 HA THR 113 -2.181 -11.629 -0.484 845 HB THR 113 HB THR 113 -4.621 -13.145 0.420 846 HG1 THR 113 1HG THR 113 -4.081 -11.941 2.205 847 HG21 THR 113 3HG2 THR 113 -2.851 -14.344 -0.834 848 HG22 THR 113 1HG2 THR 113 -3.038 -14.932 0.817 849 HG23 THR 113 2HG2 THR 113 -1.690 -13.872 0.407 850 H THR 114 H THR 114 -2.260 -13.121 -2.246 851 HA THR 114 HA THR 114 -4.249 -12.359 -4.246 852 HB THR 114 HB THR 114 -2.732 -13.651 -5.816 853 HG1 THR 114 1HG THR 114 -0.687 -14.181 -5.033 854 HG21 THR 114 3HG2 THR 114 -2.703 -11.148 -5.442 855 HG22 THR 114 1HG2 THR 114 -1.211 -11.845 -6.072 856 HG23 THR 114 2HG2 THR 114 -1.331 -11.412 -4.367 857 H TYR 115 H TYR 115 -5.174 -14.022 -5.652 858 HA TYR 115 HA TYR 115 -6.329 -16.131 -4.126 859 HB2 TYR 115 1HB TYR 115 -6.431 -15.537 -7.089 860 HB3 TYR 115 2HB TYR 115 -7.398 -16.771 -6.289 861 HD1 TYR 115 2HD TYR 115 -9.037 -16.036 -4.494 862 HD2 TYR 115 1HD TYR 115 -7.141 -13.297 -7.141 863 HE1 TYR 115 2HE TYR 115 -10.766 -14.361 -3.990 864 HE2 TYR 115 1HE TYR 115 -8.865 -11.614 -6.644 865 HH TYR 115 HH TYR 115 -11.234 -11.592 -5.826 866 H GLU 116 H GLU 116 -6.223 -18.403 -4.595 867 HA GLU 116 HA GLU 116 -3.549 -19.325 -4.943 868 HB2 GLU 116 1HB GLU 116 -5.594 -20.323 -3.586 869 HB3 GLU 116 2HB GLU 116 -5.866 -21.200 -5.085 870 HG2 GLU 116 1HG GLU 116 -3.635 -22.142 -4.970 871 HG3 GLU 116 2HG GLU 116 -3.305 -21.220 -3.504 872 H ALA 117 H ALA 117 -2.546 -19.615 -6.810 873 HA ALA 117 HA ALA 117 -3.670 -19.377 -9.330 874 HB1 ALA 117 3HB ALA 117 -1.142 -19.574 -8.395 875 HB2 ALA 117 1HB ALA 117 -1.325 -21.144 -9.177 876 HB3 ALA 117 2HB ALA 117 -1.576 -19.663 -10.102 877 H SER 118 H SER 118 -3.042 -22.302 -7.435 878 HA SER 118 HA SER 118 -4.760 -23.783 -9.315 879 HB2 SER 118 1HB SER 118 -2.396 -24.462 -9.571 880 HB3 SER 118 2HB SER 118 -2.338 -24.870 -7.856 881 HG SER 118 HG SER 118 -3.482 -26.236 -9.968 882 H GLY 119 H GLY 119 -6.526 -23.281 -7.901 883 HA2 GLY 119 1HA GLY 119 -7.062 -25.314 -6.011 884 HA3 GLY 119 2HA GLY 119 -6.630 -23.833 -5.167 885 HA PRO 120 HA PRO 120 -10.755 -23.107 -7.651 886 HB2 PRO 120 1HB PRO 120 -12.147 -25.378 -8.174 887 HB3 PRO 120 2HB PRO 120 -10.985 -24.681 -9.309 888 HG2 PRO 120 1HG PRO 120 -10.629 -26.948 -7.388 889 HG3 PRO 120 2HG PRO 120 -10.090 -26.813 -9.071 890 HD2 PRO 120 1HD PRO 120 -8.427 -26.412 -6.972 891 HD3 PRO 120 2HD PRO 120 -8.248 -25.545 -8.512 892 H SER 121 H SER 121 -10.010 -25.024 -4.992 893 HA SER 121 HA SER 121 -12.221 -25.871 -3.752 894 HB2 SER 121 1HB SER 121 -11.243 -25.202 -1.602 895 HB3 SER 121 2HB SER 121 -10.000 -25.831 -2.685 896 HG SER 121 HG SER 121 -9.178 -23.851 -2.925 897 H SER 122 H SER 122 -11.208 -22.454 -3.682 898 HA SER 122 HA SER 122 -13.872 -21.705 -2.739 899 HB2 SER 122 1HB SER 122 -11.685 -20.810 -1.718 900 HB3 SER 122 2HB SER 122 -11.564 -19.814 -3.169 901 HG SER 122 HG SER 122 -13.503 -18.838 -2.628 902 H GLY 123 H GLY 123 -15.360 -20.766 -3.997 903 HA2 GLY 123 1HA GLY 123 -16.060 -19.285 -5.729 904 HA3 GLY 123 2HA GLY 123 -14.517 -19.543 -6.530 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.239 22.091 16.425 2 HA2 GLY 1 1HA GLY 1 -7.812 24.935 16.051 3 HA3 GLY 1 2HA GLY 1 -8.976 23.788 15.403 4 H SER 2 H SER 2 -10.402 25.002 16.915 5 HA SER 2 HA SER 2 -10.136 24.030 19.681 6 HB2 SER 2 1HB SER 2 -11.375 26.497 18.503 7 HB3 SER 2 2HB SER 2 -11.933 25.891 20.062 8 HG SER 2 HG SER 2 -9.181 26.159 19.652 9 H SER 3 H SER 3 -11.300 22.260 20.019 10 HA SER 3 HA SER 3 -14.124 22.262 19.361 11 HB2 SER 3 1HB SER 3 -14.127 20.239 18.091 12 HB3 SER 3 2HB SER 3 -12.905 21.281 17.364 13 HG SER 3 HG SER 3 -11.955 19.313 17.592 14 H GLY 4 H GLY 4 -15.202 21.505 21.056 15 HA2 GLY 4 1HA GLY 4 -15.520 19.507 22.504 16 HA3 GLY 4 2HA GLY 4 -13.804 19.626 22.860 17 H SER 5 H SER 5 -13.831 20.011 25.009 18 HA SER 5 HA SER 5 -14.838 22.604 25.862 19 HB2 SER 5 1HB SER 5 -15.815 19.977 26.953 20 HB3 SER 5 2HB SER 5 -15.805 21.424 27.960 21 HG SER 5 HG SER 5 -17.353 22.290 26.767 22 H SER 6 H SER 6 -14.070 23.174 28.058 23 HA SER 6 HA SER 6 -11.392 23.100 28.368 24 HB2 SER 6 1HB SER 6 -12.989 24.428 29.767 25 HB3 SER 6 2HB SER 6 -13.307 22.972 30.709 26 HG SER 6 HG SER 6 -11.223 22.988 31.435 27 H GLY 7 H GLY 7 -10.221 21.281 28.080 28 HA2 GLY 7 1HA GLY 7 -10.084 19.390 30.214 29 HA3 GLY 7 2HA GLY 7 -10.847 18.692 28.793 30 H PHE 8 H PHE 8 -9.300 17.277 28.160 31 HA PHE 8 HA PHE 8 -6.553 17.610 28.258 32 HB2 PHE 8 1HB PHE 8 -7.593 15.452 27.797 33 HB3 PHE 8 2HB PHE 8 -8.181 16.043 26.247 34 HD1 PHE 8 2HD PHE 8 -6.598 16.485 24.411 35 HD2 PHE 8 1HD PHE 8 -5.355 14.709 28.074 36 HE1 PHE 8 2HE PHE 8 -4.523 15.722 23.333 37 HE2 PHE 8 1HE PHE 8 -3.277 13.943 27.002 38 HZ PHE 8 HZ PHE 8 -2.859 14.448 24.628 39 HA PRO 9 HA PRO 9 -6.136 20.898 25.245 40 HB2 PRO 9 1HB PRO 9 -3.474 21.253 25.642 41 HB3 PRO 9 2HB PRO 9 -4.702 21.895 26.738 42 HG2 PRO 9 1HG PRO 9 -3.041 19.418 26.997 43 HG3 PRO 9 2HG PRO 9 -3.451 20.624 28.231 44 HD2 PRO 9 1HD PRO 9 -4.731 18.246 28.036 45 HD3 PRO 9 2HD PRO 9 -5.540 19.723 28.597 46 H THR 10 H THR 10 -4.487 21.293 23.440 47 HA THR 10 HA THR 10 -3.459 18.781 22.325 48 HB THR 10 HB THR 10 -4.304 19.513 20.060 49 HG1 THR 10 1HG THR 10 -6.197 21.068 21.469 50 HG21 THR 10 3HG2 THR 10 -5.434 17.695 21.031 51 HG22 THR 10 1HG2 THR 10 -6.714 18.826 20.592 52 HG23 THR 10 2HG2 THR 10 -6.179 18.707 22.268 53 H SER 11 H SER 11 -1.838 19.060 20.682 54 HA SER 11 HA SER 11 -0.754 21.724 20.281 55 HB2 SER 11 1HB SER 11 0.231 20.781 22.441 56 HB3 SER 11 2HB SER 11 1.047 19.589 21.428 57 HG SER 11 HG SER 11 1.640 21.742 20.245 58 H VAL 12 H VAL 12 0.557 21.896 18.475 59 HA VAL 12 HA VAL 12 0.104 20.433 16.265 60 HB VAL 12 HB VAL 12 2.271 21.162 15.356 61 HG11 VAL 12 1HG1 VAL 12 0.226 22.697 15.758 62 HG12 VAL 12 2HG1 VAL 12 1.236 23.439 17.001 63 HG13 VAL 12 3HG1 VAL 12 1.770 23.426 15.320 64 HG21 VAL 12 3HG2 VAL 12 3.880 22.338 16.714 65 HG22 VAL 12 1HG2 VAL 12 2.853 22.170 18.138 66 HG23 VAL 12 2HG2 VAL 12 3.592 20.743 17.410 67 HA PRO 13 HA PRO 13 1.870 16.429 16.661 68 HB2 PRO 13 1HB PRO 13 2.416 15.879 14.060 69 HB3 PRO 13 2HB PRO 13 0.774 15.900 14.713 70 HG2 PRO 13 1HG PRO 13 2.225 18.014 13.168 71 HG3 PRO 13 2HG PRO 13 0.549 17.459 13.002 72 HD2 PRO 13 1HD PRO 13 1.207 19.729 14.323 73 HD3 PRO 13 2HD PRO 13 -0.179 18.721 14.787 74 H ASP 14 H ASP 14 3.832 15.166 16.211 75 HA ASP 14 HA ASP 14 6.191 16.901 16.214 76 HB2 ASP 14 1HB ASP 14 5.596 15.042 17.993 77 HB3 ASP 14 2HB ASP 14 6.338 13.974 16.805 78 H LEU 15 H LEU 15 8.163 16.074 15.126 79 HA LEU 15 HA LEU 15 9.137 15.765 13.067 80 HB2 LEU 15 1HB LEU 15 7.819 13.191 13.813 81 HB3 LEU 15 2HB LEU 15 8.669 13.324 12.275 82 HG LEU 15 HG LEU 15 9.982 13.933 14.914 83 HD11 LEU 15 1HD1 LEU 15 9.577 11.321 13.516 84 HD12 LEU 15 2HD1 LEU 15 9.448 11.705 15.232 85 HD13 LEU 15 3HD1 LEU 15 11.034 11.610 14.467 86 HD21 LEU 15 3HD2 LEU 15 10.929 13.487 12.100 87 HD22 LEU 15 1HD2 LEU 15 12.006 13.310 13.485 88 HD23 LEU 15 2HD2 LEU 15 11.231 14.861 13.164 89 H SER 16 H SER 16 6.801 17.219 12.748 90 HA SER 16 HA SER 16 5.016 16.139 10.846 91 HB2 SER 16 1HB SER 16 4.412 18.543 10.424 92 HB3 SER 16 2HB SER 16 4.353 18.070 12.122 93 HG SER 16 HG SER 16 5.975 19.885 10.857 94 H THR 17 H THR 17 4.751 17.332 8.642 95 HA THR 17 HA THR 17 7.308 17.838 7.334 96 HB THR 17 HB THR 17 6.742 16.280 5.467 97 HG1 THR 17 1HG THR 17 4.609 15.725 7.208 98 HG21 THR 17 3HG2 THR 17 7.180 15.141 8.222 99 HG22 THR 17 1HG2 THR 17 8.397 15.543 7.011 100 HG23 THR 17 2HG2 THR 17 7.308 14.180 6.749 101 HA PRO 18 HA PRO 18 4.962 20.830 5.127 102 HB2 PRO 18 1HB PRO 18 6.471 21.058 2.882 103 HB3 PRO 18 2HB PRO 18 6.974 21.706 4.447 104 HG2 PRO 18 1HG PRO 18 7.781 19.154 3.106 105 HG3 PRO 18 2HG PRO 18 8.786 20.326 3.979 106 HD2 PRO 18 1HD PRO 18 7.938 18.012 5.101 107 HD3 PRO 18 2HD PRO 18 8.180 19.498 6.043 108 H MET 19 H MET 19 4.978 17.647 4.344 109 HA MET 19 HA MET 19 3.126 18.078 2.099 110 HB2 MET 19 1HB MET 19 5.359 16.078 2.327 111 HB3 MET 19 2HB MET 19 3.975 15.779 1.284 112 HG2 MET 19 1HG MET 19 5.731 18.213 1.094 113 HG3 MET 19 2HG MET 19 5.954 16.750 0.136 114 HE1 MET 19 3HE MET 19 3.588 15.659 -0.841 115 HE2 MET 19 1HE MET 19 2.838 16.627 -2.110 116 HE3 MET 19 2HE MET 19 4.570 16.298 -2.160 117 H LEU 20 H LEU 20 1.560 16.325 1.806 118 HA LEU 20 HA LEU 20 1.079 14.755 4.242 119 HB2 LEU 20 1HB LEU 20 -0.310 16.957 3.891 120 HB3 LEU 20 2HB LEU 20 -1.226 15.947 2.775 121 HG LEU 20 HG LEU 20 -2.269 16.086 4.994 122 HD11 LEU 20 1HD1 LEU 20 -2.401 13.594 5.392 123 HD12 LEU 20 2HD1 LEU 20 -1.216 13.416 4.098 124 HD13 LEU 20 3HD1 LEU 20 -2.787 14.142 3.760 125 HD21 LEU 20 3HD2 LEU 20 -0.121 14.400 6.169 126 HD22 LEU 20 1HD2 LEU 20 -1.245 15.511 6.951 127 HD23 LEU 20 2HD2 LEU 20 0.145 16.141 6.068 128 HA PRO 21 HA PRO 21 0.816 11.638 1.046 129 HB2 PRO 21 1HB PRO 21 0.575 9.545 2.758 130 HB3 PRO 21 2HB PRO 21 2.120 10.331 2.413 131 HG2 PRO 21 1HG PRO 21 0.282 10.708 4.746 132 HG3 PRO 21 2HG PRO 21 2.050 10.572 4.725 133 HD2 PRO 21 1HD PRO 21 0.775 12.952 4.927 134 HD3 PRO 21 2HD PRO 21 2.338 12.773 4.106 135 HA PRO 22 HA PRO 22 -3.462 10.707 0.633 136 HB2 PRO 22 1HB PRO 22 -3.453 8.144 -0.264 137 HB3 PRO 22 2HB PRO 22 -2.940 9.512 -1.259 138 HG2 PRO 22 1HG PRO 22 -1.273 7.557 0.276 139 HG3 PRO 22 2HG PRO 22 -1.024 8.198 -1.358 140 HD2 PRO 22 1HD PRO 22 0.321 9.137 0.796 141 HD3 PRO 22 2HD PRO 22 -0.114 10.169 -0.582 142 H VAL 23 H VAL 23 -5.189 9.032 1.202 143 HA VAL 23 HA VAL 23 -4.564 7.557 3.655 144 HB VAL 23 HB VAL 23 -6.487 8.435 4.833 145 HG11 VAL 23 1HG1 VAL 23 -4.699 10.603 3.740 146 HG12 VAL 23 2HG1 VAL 23 -5.745 10.779 5.150 147 HG13 VAL 23 3HG1 VAL 23 -4.417 9.618 5.175 148 HG21 VAL 23 3HG2 VAL 23 -6.907 10.348 2.544 149 HG22 VAL 23 1HG2 VAL 23 -7.833 8.863 2.760 150 HG23 VAL 23 2HG2 VAL 23 -7.916 10.139 3.975 151 H GLY 24 H GLY 24 -6.822 6.476 4.380 152 HA2 GLY 24 1HA GLY 24 -8.219 4.718 3.882 153 HA3 GLY 24 2HA GLY 24 -8.775 5.758 2.580 154 H VAL 25 H VAL 25 -5.595 4.255 3.006 155 HA VAL 25 HA VAL 25 -5.557 3.348 0.299 156 HB VAL 25 HB VAL 25 -3.688 2.405 2.463 157 HG11 VAL 25 1HG1 VAL 25 -3.371 1.259 0.406 158 HG12 VAL 25 2HG1 VAL 25 -3.461 2.759 -0.519 159 HG13 VAL 25 3HG1 VAL 25 -2.078 2.451 0.532 160 HG21 VAL 25 3HG2 VAL 25 -2.870 4.449 2.761 161 HG22 VAL 25 1HG2 VAL 25 -2.637 4.640 1.023 162 HG23 VAL 25 2HG2 VAL 25 -4.173 5.092 1.762 163 H GLN 26 H GLN 26 -6.330 1.516 -0.510 164 HA GLN 26 HA GLN 26 -6.664 -0.798 1.267 165 HB2 GLN 26 1HB GLN 26 -8.847 0.304 1.017 166 HB3 GLN 26 2HB GLN 26 -8.709 0.184 -0.732 167 HG2 GLN 26 1HG GLN 26 -8.694 -2.263 -0.547 168 HG3 GLN 26 2HG GLN 26 -8.888 -2.117 1.199 169 HE21 GLN 26 1HE2 GLN 26 -10.741 -3.568 0.224 170 HE22 GLN 26 2HE2 GLN 26 -12.234 -2.733 -0.014 171 H ALA 27 H ALA 27 -5.983 -2.681 0.436 172 HA ALA 27 HA ALA 27 -5.061 -2.670 -2.352 173 HB1 ALA 27 3HB ALA 27 -4.194 -4.168 0.088 174 HB2 ALA 27 1HB ALA 27 -3.819 -4.785 -1.522 175 HB3 ALA 27 2HB ALA 27 -3.234 -3.196 -1.028 176 H VAL 28 H VAL 28 -6.646 -3.400 -3.643 177 HA VAL 28 HA VAL 28 -8.346 -5.605 -2.783 178 HB VAL 28 HB VAL 28 -8.489 -4.254 -5.464 179 HG11 VAL 28 1HG1 VAL 28 -10.833 -5.170 -3.877 180 HG12 VAL 28 2HG1 VAL 28 -10.593 -5.141 -5.625 181 HG13 VAL 28 3HG1 VAL 28 -9.812 -6.383 -4.647 182 HG21 VAL 28 3HG2 VAL 28 -9.039 -2.312 -4.537 183 HG22 VAL 28 1HG2 VAL 28 -10.391 -3.101 -3.726 184 HG23 VAL 28 2HG2 VAL 28 -8.824 -2.993 -2.924 185 H ALA 29 H ALA 29 -8.116 -7.651 -3.429 186 HA ALA 29 HA ALA 29 -5.932 -8.286 -5.259 187 HB1 ALA 29 3HB ALA 29 -6.339 -10.633 -4.478 188 HB2 ALA 29 1HB ALA 29 -5.865 -9.498 -3.214 189 HB3 ALA 29 2HB ALA 29 -7.553 -9.985 -3.375 190 H LEU 30 H LEU 30 -6.460 -8.334 -7.348 191 HA LEU 30 HA LEU 30 -9.128 -8.983 -8.227 192 HB2 LEU 30 1HB LEU 30 -6.679 -8.595 -9.932 193 HB3 LEU 30 2HB LEU 30 -8.366 -8.450 -10.421 194 HG LEU 30 HG LEU 30 -7.095 -6.595 -8.421 195 HD11 LEU 30 1HD1 LEU 30 -7.508 -5.482 -11.060 196 HD12 LEU 30 2HD1 LEU 30 -6.338 -6.802 -11.079 197 HD13 LEU 30 3HD1 LEU 30 -6.088 -5.418 -10.015 198 HD21 LEU 30 3HD2 LEU 30 -9.727 -6.925 -9.600 199 HD22 LEU 30 1HD2 LEU 30 -9.083 -5.300 -9.838 200 HD23 LEU 30 2HD2 LEU 30 -9.222 -5.964 -8.210 201 H THR 31 H THR 31 -5.893 -10.383 -8.758 202 HA THR 31 HA THR 31 -7.077 -13.042 -8.833 203 HB THR 31 HB THR 31 -6.923 -12.001 -11.221 204 HG1 THR 31 1HG THR 31 -6.418 -14.115 -12.009 205 HG21 THR 31 3HG2 THR 31 -4.245 -13.133 -11.475 206 HG22 THR 31 1HG2 THR 31 -4.288 -11.671 -10.491 207 HG23 THR 31 2HG2 THR 31 -4.910 -11.642 -12.141 208 H HIS 32 H HIS 32 -5.192 -14.696 -9.241 209 HA HIS 32 HA HIS 32 -3.509 -14.706 -7.092 210 HB2 HIS 32 1HB HIS 32 -2.051 -16.271 -8.489 211 HB3 HIS 32 2HB HIS 32 -3.742 -16.725 -8.298 212 HD1 HIS 32 1HD HIS 32 -5.312 -16.081 -10.418 213 HD2 HIS 32 2HD HIS 32 -1.210 -16.126 -11.071 214 HE1 HIS 32 1HE HIS 32 -5.030 -16.208 -12.914 215 HE2 HIS 32 2HE HIS 32 -2.540 -16.320 -13.280 216 H ASP 33 H ASP 33 -2.754 -13.505 -10.348 217 HA ASP 33 HA ASP 33 -0.370 -12.190 -9.221 218 HB2 ASP 33 1HB ASP 33 0.499 -12.170 -11.561 219 HB3 ASP 33 2HB ASP 33 0.268 -13.790 -10.910 220 H ALA 34 H ALA 34 -2.858 -11.000 -8.902 221 HA ALA 34 HA ALA 34 -2.418 -8.510 -10.312 222 HB1 ALA 34 3HB ALA 34 -5.142 -9.764 -10.530 223 HB2 ALA 34 1HB ALA 34 -4.525 -8.331 -11.355 224 HB3 ALA 34 2HB ALA 34 -3.913 -9.929 -11.784 225 H VAL 35 H VAL 35 -2.962 -6.792 -9.088 226 HA VAL 35 HA VAL 35 -4.892 -7.080 -6.926 227 HB VAL 35 HB VAL 35 -1.974 -6.523 -6.491 228 HG11 VAL 35 1HG1 VAL 35 -3.043 -4.628 -5.494 229 HG12 VAL 35 2HG1 VAL 35 -4.266 -5.651 -4.739 230 HG13 VAL 35 3HG1 VAL 35 -2.587 -5.740 -4.204 231 HG21 VAL 35 3HG2 VAL 35 -2.083 -8.586 -5.666 232 HG22 VAL 35 1HG2 VAL 35 -3.107 -7.955 -4.375 233 HG23 VAL 35 2HG2 VAL 35 -3.838 -8.618 -5.836 234 H ARG 36 H ARG 36 -6.199 -5.392 -7.077 235 HA ARG 36 HA ARG 36 -5.258 -2.940 -8.347 236 HB2 ARG 36 1HB ARG 36 -7.343 -3.790 -9.188 237 HB3 ARG 36 2HB ARG 36 -8.011 -3.899 -7.565 238 HG2 ARG 36 1HG ARG 36 -8.953 -1.998 -8.675 239 HG3 ARG 36 2HG ARG 36 -7.882 -1.436 -7.390 240 HD2 ARG 36 1HD ARG 36 -6.351 -0.587 -8.850 241 HD3 ARG 36 2HD ARG 36 -6.717 -1.780 -10.096 242 HE ARG 36 HE ARG 36 -7.995 0.782 -9.703 243 HH11 ARG 36 1HH1 ARG 36 -8.192 -2.370 -11.169 244 HH12 ARG 36 2HH1 ARG 36 -9.316 -1.876 -12.390 245 HH21 ARG 36 1HH2 ARG 36 -9.475 1.445 -11.307 246 HH22 ARG 36 2HH2 ARG 36 -10.045 0.295 -12.469 247 H VAL 37 H VAL 37 -4.068 -1.861 -6.826 248 HA VAL 37 HA VAL 37 -5.136 -1.457 -4.154 249 HB VAL 37 HB VAL 37 -2.591 -0.401 -5.394 250 HG11 VAL 37 1HG1 VAL 37 -1.936 0.325 -3.269 251 HG12 VAL 37 2HG1 VAL 37 -3.622 0.831 -3.398 252 HG13 VAL 37 3HG1 VAL 37 -3.199 -0.604 -2.463 253 HG21 VAL 37 3HG2 VAL 37 -3.201 -2.864 -3.791 254 HG22 VAL 37 1HG2 VAL 37 -2.344 -2.727 -5.326 255 HG23 VAL 37 2HG2 VAL 37 -1.582 -2.167 -3.837 256 H SER 38 H SER 38 -6.638 0.056 -3.885 257 HA SER 38 HA SER 38 -6.324 2.607 -5.330 258 HB2 SER 38 1HB SER 38 -8.386 0.984 -5.759 259 HB3 SER 38 2HB SER 38 -9.001 1.771 -4.305 260 HG SER 38 HG SER 38 -7.932 3.406 -6.291 261 H TRP 39 H TRP 39 -6.919 4.523 -4.213 262 HA TRP 39 HA TRP 39 -7.359 4.304 -1.334 263 HB2 TRP 39 1HB TRP 39 -5.540 5.953 -0.889 264 HB3 TRP 39 2HB TRP 39 -4.951 4.401 -1.479 265 HD1 TRP 39 HD TRP 39 -4.963 8.076 -2.289 266 HE1 TRP 39 1HE TRP 39 -3.588 8.492 -4.425 267 HE3 TRP 39 3HE TRP 39 -4.346 3.235 -3.811 268 HZ2 TRP 39 2HZ TRP 39 -2.400 6.968 -6.483 269 HZ3 TRP 39 3HZ TRP 39 -3.078 2.800 -5.874 270 HH2 TRP 39 HH TRP 39 -2.126 4.629 -7.181 271 H ALA 40 H ALA 40 -7.378 6.751 -0.462 272 HA ALA 40 HA ALA 40 -9.188 8.206 -2.276 273 HB1 ALA 40 3HB ALA 40 -9.341 7.553 0.567 274 HB2 ALA 40 1HB ALA 40 -9.679 9.246 0.205 275 HB3 ALA 40 2HB ALA 40 -10.620 7.973 -0.573 276 H ASP 41 H ASP 41 -9.157 10.547 -2.150 277 HA ASP 41 HA ASP 41 -6.480 11.576 -1.474 278 HB2 ASP 41 1HB ASP 41 -7.052 11.591 -3.899 279 HB3 ASP 41 2HB ASP 41 -8.406 12.658 -3.539 280 H ASN 42 H ASN 42 -6.624 12.553 0.450 281 HA ASN 42 HA ASN 42 -8.937 14.295 0.967 282 HB2 ASN 42 1HB ASN 42 -7.162 12.668 2.736 283 HB3 ASN 42 2HB ASN 42 -7.884 14.135 3.391 284 HD21 ASN 42 1HD2 ASN 42 -8.906 12.572 4.843 285 HD22 ASN 42 2HD2 ASN 42 -10.378 11.819 4.341 286 H SER 43 H SER 43 -5.507 14.205 0.568 287 HA SER 43 HA SER 43 -5.084 16.844 1.686 288 HB2 SER 43 1HB SER 43 -2.731 16.493 0.860 289 HB3 SER 43 2HB SER 43 -3.297 15.265 1.992 290 HG SER 43 HG SER 43 -2.721 15.063 -0.720 291 H VAL 44 H VAL 44 -6.977 16.935 -0.318 292 HA VAL 44 HA VAL 44 -5.551 18.467 -2.387 293 HB VAL 44 HB VAL 44 -6.179 16.485 -3.527 294 HG11 VAL 44 1HG1 VAL 44 -7.852 15.832 -1.710 295 HG12 VAL 44 2HG1 VAL 44 -9.030 16.771 -2.629 296 HG13 VAL 44 3HG1 VAL 44 -8.240 15.379 -3.370 297 HG21 VAL 44 3HG2 VAL 44 -7.224 18.981 -4.208 298 HG22 VAL 44 1HG2 VAL 44 -6.979 17.600 -5.278 299 HG23 VAL 44 2HG2 VAL 44 -8.538 17.839 -4.488 300 HA PRO 45 HA PRO 45 -8.341 21.628 -1.001 301 HB2 PRO 45 1HB PRO 45 -7.670 23.475 -2.874 302 HB3 PRO 45 2HB PRO 45 -6.648 23.105 -1.480 303 HG2 PRO 45 1HG PRO 45 -6.424 22.136 -4.304 304 HG3 PRO 45 2HG PRO 45 -5.146 22.689 -3.206 305 HD2 PRO 45 1HD PRO 45 -5.642 20.066 -3.660 306 HD3 PRO 45 2HD PRO 45 -5.048 20.670 -2.100 307 H LYS 46 H LYS 46 -10.443 21.850 -1.414 308 HA LYS 46 HA LYS 46 -11.644 20.788 -3.756 309 HB2 LYS 46 1HB LYS 46 -12.812 20.785 -1.616 310 HB3 LYS 46 2HB LYS 46 -12.796 22.543 -1.580 311 HG2 LYS 46 1HG LYS 46 -14.277 22.649 -3.468 312 HG3 LYS 46 2HG LYS 46 -14.198 20.898 -3.676 313 HD2 LYS 46 1HD LYS 46 -16.215 21.226 -2.554 314 HD3 LYS 46 2HD LYS 46 -15.093 20.785 -1.264 315 HE2 LYS 46 1HE LYS 46 -14.867 23.058 -0.584 316 HE3 LYS 46 2HE LYS 46 -15.730 23.633 -2.009 317 HZ1 LYS 46 3HZ LYS 46 -16.789 22.360 0.414 318 HZ2 LYS 46 1HZ LYS 46 -17.623 22.157 -1.044 319 HZ3 LYS 46 2HZ LYS 46 -17.362 23.710 -0.428 320 H ASN 47 H ASN 47 -13.027 21.963 -5.255 321 HA ASN 47 HA ASN 47 -13.032 23.452 -7.013 322 HB2 ASN 47 1HB ASN 47 -13.566 25.023 -4.513 323 HB3 ASN 47 2HB ASN 47 -13.534 25.839 -6.074 324 HD21 ASN 47 1HD2 ASN 47 -15.722 25.327 -4.150 325 HD22 ASN 47 2HD2 ASN 47 -16.956 24.539 -5.067 326 H GLN 48 H GLN 48 -10.381 22.814 -6.277 327 HA GLN 48 HA GLN 48 -8.839 25.231 -6.081 328 HB2 GLN 48 1HB GLN 48 -6.895 23.739 -6.378 329 HB3 GLN 48 2HB GLN 48 -7.976 23.184 -5.106 330 HG2 GLN 48 1HG GLN 48 -7.271 21.291 -6.362 331 HG3 GLN 48 2HG GLN 48 -8.970 21.588 -6.726 332 HE21 GLN 48 1HE2 GLN 48 -5.868 22.837 -7.924 333 HE22 GLN 48 2HE2 GLN 48 -6.216 22.578 -9.596 334 H LYS 49 H LYS 49 -7.602 26.211 -7.667 335 HA LYS 49 HA LYS 49 -8.227 25.407 -10.434 336 HB2 LYS 49 1HB LYS 49 -9.236 27.588 -9.609 337 HB3 LYS 49 2HB LYS 49 -7.596 28.216 -9.528 338 HG2 LYS 49 1HG LYS 49 -7.333 28.195 -11.827 339 HG3 LYS 49 2HG LYS 49 -8.626 27.018 -12.064 340 HD2 LYS 49 1HD LYS 49 -10.089 28.955 -11.007 341 HD3 LYS 49 2HD LYS 49 -8.780 29.958 -11.636 342 HE2 LYS 49 1HE LYS 49 -9.195 29.318 -13.844 343 HE3 LYS 49 2HE LYS 49 -10.123 27.900 -13.355 344 HZ1 LYS 49 3HZ LYS 49 -11.026 30.672 -12.825 345 HZ2 LYS 49 1HZ LYS 49 -11.930 29.246 -12.710 346 HZ3 LYS 49 2HZ LYS 49 -11.449 29.822 -14.226 347 H THR 50 H THR 50 -5.845 27.329 -8.596 348 HA THR 50 HA THR 50 -3.768 26.402 -10.457 349 HB THR 50 HB THR 50 -3.185 28.510 -8.436 350 HG1 THR 50 1HG THR 50 -4.856 28.855 -10.714 351 HG21 THR 50 3HG2 THR 50 -2.377 29.213 -11.038 352 HG22 THR 50 1HG2 THR 50 -2.058 27.487 -10.870 353 HG23 THR 50 2HG2 THR 50 -1.366 28.629 -9.717 354 H SER 51 H SER 51 -2.665 24.688 -9.787 355 HA SER 51 HA SER 51 -1.575 24.651 -7.091 356 HB2 SER 51 1HB SER 51 -2.384 22.448 -6.547 357 HB3 SER 51 2HB SER 51 -3.775 23.439 -6.987 358 HG SER 51 HG SER 51 -4.176 21.914 -8.369 359 H GLU 52 H GLU 52 0.317 23.471 -6.897 360 HA GLU 52 HA GLU 52 1.819 23.106 -9.268 361 HB2 GLU 52 1HB GLU 52 2.370 22.237 -6.426 362 HB3 GLU 52 2HB GLU 52 3.537 22.130 -7.736 363 HG2 GLU 52 1HG GLU 52 3.806 24.418 -7.865 364 HG3 GLU 52 2HG GLU 52 2.257 24.747 -7.091 365 H VAL 53 H VAL 53 2.505 21.257 -10.308 366 HA VAL 53 HA VAL 53 0.733 19.110 -10.485 367 HB VAL 53 HB VAL 53 3.655 19.046 -11.244 368 HG11 VAL 53 1HG1 VAL 53 1.636 17.095 -11.381 369 HG12 VAL 53 2HG1 VAL 53 1.881 17.677 -13.029 370 HG13 VAL 53 3HG1 VAL 53 3.243 17.041 -12.106 371 HG21 VAL 53 3HG2 VAL 53 2.901 20.942 -12.347 372 HG22 VAL 53 1HG2 VAL 53 2.627 19.671 -13.538 373 HG23 VAL 53 2HG2 VAL 53 1.281 20.287 -12.580 374 H ARG 54 H ARG 54 0.748 17.022 -9.704 375 HA ARG 54 HA ARG 54 2.759 16.354 -7.671 376 HB2 ARG 54 1HB ARG 54 0.686 15.240 -6.474 377 HB3 ARG 54 2HB ARG 54 1.094 16.929 -6.200 378 HG2 ARG 54 1HG ARG 54 -1.254 16.796 -6.520 379 HG3 ARG 54 2HG ARG 54 -0.563 17.534 -7.967 380 HD2 ARG 54 1HD ARG 54 -0.920 15.643 -9.258 381 HD3 ARG 54 2HD ARG 54 -1.004 14.579 -7.854 382 HE ARG 54 HE ARG 54 -3.137 16.473 -7.894 383 HH11 ARG 54 1HH1 ARG 54 -2.045 13.448 -9.226 384 HH12 ARG 54 2HH1 ARG 54 -3.644 12.865 -9.552 385 HH21 ARG 54 1HH2 ARG 54 -5.246 15.717 -8.318 386 HH22 ARG 54 2HH2 ARG 54 -5.464 14.156 -9.035 387 H LEU 55 H LEU 55 3.143 14.135 -7.376 388 HA LEU 55 HA LEU 55 1.888 12.355 -9.355 389 HB2 LEU 55 1HB LEU 55 3.983 12.779 -10.302 390 HB3 LEU 55 2HB LEU 55 4.794 12.750 -8.737 391 HG LEU 55 HG LEU 55 3.963 10.206 -8.836 392 HD11 LEU 55 1HD1 LEU 55 3.876 9.289 -10.952 393 HD12 LEU 55 2HD1 LEU 55 4.682 10.668 -11.699 394 HD13 LEU 55 3HD1 LEU 55 3.005 10.806 -11.172 395 HD21 LEU 55 3HD2 LEU 55 6.230 10.818 -8.418 396 HD22 LEU 55 1HD2 LEU 55 6.438 11.402 -10.070 397 HD23 LEU 55 2HD2 LEU 55 6.227 9.677 -9.764 398 H TYR 56 H TYR 56 1.543 10.243 -8.722 399 HA TYR 56 HA TYR 56 1.972 9.710 -5.857 400 HB2 TYR 56 1HB TYR 56 -0.228 8.916 -7.746 401 HB3 TYR 56 2HB TYR 56 0.061 8.010 -6.264 402 HD1 TYR 56 1HD TYR 56 0.225 11.681 -6.904 403 HD2 TYR 56 2HD TYR 56 -1.724 8.499 -4.860 404 HE1 TYR 56 1HE TYR 56 -1.116 13.317 -5.649 405 HE2 TYR 56 2HE TYR 56 -3.071 10.126 -3.600 406 HH TYR 56 HH TYR 56 -3.308 12.306 -3.074 407 H THR 57 H THR 57 2.925 7.838 -5.212 408 HA THR 57 HA THR 57 3.844 6.011 -7.335 409 HB THR 57 HB THR 57 5.364 6.565 -4.788 410 HG1 THR 57 1HG THR 57 5.465 8.480 -5.878 411 HG21 THR 57 3HG2 THR 57 5.914 4.459 -5.848 412 HG22 THR 57 1HG2 THR 57 7.240 5.597 -6.088 413 HG23 THR 57 2HG2 THR 57 6.117 5.260 -7.406 414 H VAL 58 H VAL 58 4.213 3.794 -6.677 415 HA VAL 58 HA VAL 58 2.810 2.983 -4.230 416 HB VAL 58 HB VAL 58 2.390 1.548 -6.846 417 HG11 VAL 58 1HG1 VAL 58 0.943 0.185 -5.731 418 HG12 VAL 58 2HG1 VAL 58 2.044 0.570 -4.407 419 HG13 VAL 58 3HG1 VAL 58 0.508 1.424 -4.554 420 HG21 VAL 58 3HG2 VAL 58 0.075 2.601 -6.723 421 HG22 VAL 58 1HG2 VAL 58 0.781 3.754 -5.590 422 HG23 VAL 58 2HG2 VAL 58 1.398 3.647 -7.239 423 H ARG 59 H ARG 59 4.010 1.641 -3.066 424 HA ARG 59 HA ARG 59 6.105 0.088 -4.436 425 HB2 ARG 59 1HB ARG 59 7.525 0.360 -2.606 426 HB3 ARG 59 2HB ARG 59 6.745 1.930 -2.743 427 HG2 ARG 59 1HG ARG 59 5.064 0.957 -1.022 428 HG3 ARG 59 2HG ARG 59 6.352 -0.204 -0.696 429 HD2 ARG 59 1HD ARG 59 6.834 2.761 -0.700 430 HD3 ARG 59 2HD ARG 59 6.277 1.907 0.738 431 HE ARG 59 HE ARG 59 8.917 1.840 -0.410 432 HH11 ARG 59 1HH1 ARG 59 6.624 0.201 1.633 433 HH12 ARG 59 2HH1 ARG 59 7.834 -0.679 2.506 434 HH21 ARG 59 1HH2 ARG 59 10.519 0.687 0.732 435 HH22 ARG 59 2HH2 ARG 59 10.049 -0.402 1.994 436 H TRP 60 H TRP 60 6.496 -2.047 -3.758 437 HA TRP 60 HA TRP 60 4.985 -3.318 -1.712 438 HB2 TRP 60 1HB TRP 60 3.525 -4.698 -3.043 439 HB3 TRP 60 2HB TRP 60 3.222 -3.013 -3.457 440 HD1 TRP 60 HD TRP 60 4.647 -6.245 -4.911 441 HE1 TRP 60 1HE TRP 60 4.879 -5.973 -7.459 442 HE3 TRP 60 3HE TRP 60 3.572 -1.262 -5.296 443 HZ2 TRP 60 2HZ TRP 60 4.639 -3.917 -9.379 444 HZ3 TRP 60 3HZ TRP 60 3.595 -0.219 -7.524 445 HH2 TRP 60 HH TRP 60 4.119 -1.521 -9.522 446 H ARG 61 H ARG 61 5.788 -5.328 -1.221 447 HA ARG 61 HA ARG 61 7.435 -6.793 -3.067 448 HB2 ARG 61 1HB ARG 61 9.525 -6.544 -2.067 449 HB3 ARG 61 2HB ARG 61 8.881 -4.908 -2.044 450 HG2 ARG 61 1HG ARG 61 8.727 -4.851 0.208 451 HG3 ARG 61 2HG ARG 61 8.332 -6.566 0.334 452 HD2 ARG 61 1HD ARG 61 10.576 -7.212 0.171 453 HD3 ARG 61 2HD ARG 61 11.070 -5.646 -0.472 454 HE ARG 61 HE ARG 61 11.369 -4.945 1.672 455 HH11 ARG 61 1HH1 ARG 61 9.128 -7.610 1.690 456 HH12 ARG 61 2HH1 ARG 61 9.008 -7.667 3.418 457 HH21 ARG 61 1HH2 ARG 61 11.219 -5.011 3.947 458 HH22 ARG 61 2HH2 ARG 61 10.197 -6.188 4.701 459 H THR 62 H THR 62 8.137 -8.853 -2.201 460 HA THR 62 HA THR 62 6.299 -10.381 -0.998 461 HB THR 62 HB THR 62 8.246 -11.752 -0.005 462 HG1 THR 62 1HG THR 62 9.841 -10.090 -1.647 463 HG21 THR 62 3HG2 THR 62 8.342 -11.118 -2.954 464 HG22 THR 62 1HG2 THR 62 7.142 -12.166 -2.200 465 HG23 THR 62 2HG2 THR 62 8.847 -12.615 -2.172 466 H SER 63 H SER 63 5.438 -10.734 0.967 467 HA SER 63 HA SER 63 6.017 -8.868 3.073 468 HB2 SER 63 1HB SER 63 4.192 -10.020 4.280 469 HB3 SER 63 2HB SER 63 3.711 -9.567 2.645 470 HG SER 63 HG SER 63 4.821 -12.098 3.005 471 H PHE 64 H PHE 64 7.017 -9.225 5.001 472 HA PHE 64 HA PHE 64 8.687 -10.115 6.299 473 HB2 PHE 64 1HB PHE 64 6.957 -12.587 6.159 474 HB3 PHE 64 2HB PHE 64 8.001 -12.083 7.484 475 HD1 PHE 64 2HD PHE 64 7.405 -9.923 8.702 476 HD2 PHE 64 1HD PHE 64 4.718 -11.968 6.111 477 HE1 PHE 64 2HE PHE 64 5.511 -8.755 9.750 478 HE2 PHE 64 1HE PHE 64 2.819 -10.803 7.155 479 HZ PHE 64 HZ PHE 64 3.214 -9.195 8.978 480 H SER 65 H SER 65 9.535 -10.192 3.722 481 HA SER 65 HA SER 65 10.562 -12.890 3.239 482 HB2 SER 65 1HB SER 65 9.504 -11.234 1.456 483 HB3 SER 65 2HB SER 65 11.153 -10.613 1.399 484 HG SER 65 HG SER 65 11.860 -12.506 0.625 485 H ALA 66 H ALA 66 12.726 -13.383 3.209 486 HA ALA 66 HA ALA 66 14.432 -11.964 4.924 487 HB1 ALA 66 3HB ALA 66 16.194 -13.486 4.117 488 HB2 ALA 66 1HB ALA 66 14.708 -14.336 4.543 489 HB3 ALA 66 2HB ALA 66 15.104 -14.046 2.849 490 H SER 67 H SER 67 14.865 -12.459 1.414 491 HA SER 67 HA SER 67 16.121 -9.795 1.298 492 HB2 SER 67 1HB SER 67 17.579 -11.970 0.978 493 HB3 SER 67 2HB SER 67 16.890 -11.938 -0.645 494 HG SER 67 HG SER 67 18.090 -9.653 0.499 495 H ALA 68 H ALA 68 15.048 -8.412 0.067 496 HA ALA 68 HA ALA 68 14.028 -9.110 -2.508 497 HB1 ALA 68 3HB ALA 68 12.189 -10.043 -1.333 498 HB2 ALA 68 1HB ALA 68 12.071 -8.641 -0.269 499 HB3 ALA 68 2HB ALA 68 11.650 -8.491 -1.976 500 H LYS 69 H LYS 69 13.710 -7.328 -3.780 501 HA LYS 69 HA LYS 69 14.457 -4.767 -2.583 502 HB2 LYS 69 1HB LYS 69 14.427 -5.820 -5.399 503 HB3 LYS 69 2HB LYS 69 14.556 -4.096 -5.079 504 HG2 LYS 69 1HG LYS 69 16.438 -6.112 -3.889 505 HG3 LYS 69 2HG LYS 69 16.720 -5.337 -5.450 506 HD2 LYS 69 1HD LYS 69 17.030 -3.248 -4.501 507 HD3 LYS 69 2HD LYS 69 16.133 -3.666 -3.040 508 HE2 LYS 69 1HE LYS 69 17.928 -5.014 -2.235 509 HE3 LYS 69 2HE LYS 69 18.782 -4.897 -3.773 510 HZ1 LYS 69 3HZ LYS 69 19.522 -2.820 -3.311 511 HZ2 LYS 69 1HZ LYS 69 19.383 -3.378 -1.720 512 HZ3 LYS 69 2HZ LYS 69 18.171 -2.403 -2.383 513 H TYR 70 H TYR 70 12.967 -3.301 -2.116 514 HA TYR 70 HA TYR 70 10.236 -3.623 -2.561 515 HB2 TYR 70 1HB TYR 70 11.988 -1.460 -1.579 516 HB3 TYR 70 2HB TYR 70 10.434 -0.934 -2.218 517 HD1 TYR 70 1HD TYR 70 8.336 -1.711 -1.168 518 HD2 TYR 70 2HD TYR 70 12.140 -2.648 0.493 519 HE1 TYR 70 1HE TYR 70 7.253 -2.313 0.957 520 HE2 TYR 70 2HE TYR 70 11.067 -3.253 2.622 521 HH TYR 70 HH TYR 70 9.161 -3.235 3.793 522 H LYS 71 H LYS 71 8.856 -3.032 -4.139 523 HA LYS 71 HA LYS 71 10.008 -2.093 -6.640 524 HB2 LYS 71 1HB LYS 71 8.237 -4.023 -6.237 525 HB3 LYS 71 2HB LYS 71 7.098 -2.686 -6.336 526 HG2 LYS 71 1HG LYS 71 7.571 -2.267 -8.550 527 HG3 LYS 71 2HG LYS 71 9.166 -3.019 -8.460 528 HD2 LYS 71 1HD LYS 71 8.074 -5.222 -8.214 529 HD3 LYS 71 2HD LYS 71 6.502 -4.439 -8.399 530 HE2 LYS 71 1HE LYS 71 7.454 -3.533 -10.610 531 HE3 LYS 71 2HE LYS 71 8.695 -4.771 -10.420 532 HZ1 LYS 71 3HZ LYS 71 5.970 -5.694 -10.084 533 HZ2 LYS 71 1HZ LYS 71 7.260 -6.402 -10.919 534 HZ3 LYS 71 2HZ LYS 71 6.356 -5.171 -11.646 535 H SER 72 H SER 72 8.738 -0.481 -7.933 536 HA SER 72 HA SER 72 7.149 1.426 -6.467 537 HB2 SER 72 1HB SER 72 8.748 3.328 -7.107 538 HB3 SER 72 2HB SER 72 9.223 2.309 -5.748 539 HG SER 72 HG SER 72 10.076 1.641 -8.337 540 H GLU 73 H GLU 73 5.667 2.226 -7.800 541 HA GLU 73 HA GLU 73 6.302 2.425 -10.666 542 HB2 GLU 73 1HB GLU 73 4.866 0.408 -10.037 543 HB3 GLU 73 2HB GLU 73 3.603 1.564 -9.640 544 HG2 GLU 73 1HG GLU 73 4.914 1.260 -12.332 545 HG3 GLU 73 2HG GLU 73 3.328 0.636 -11.881 546 H ASP 74 H ASP 74 5.790 4.315 -11.579 547 HA ASP 74 HA ASP 74 4.534 6.349 -9.928 548 HB2 ASP 74 1HB ASP 74 5.505 7.919 -11.320 549 HB3 ASP 74 2HB ASP 74 6.647 6.587 -11.471 550 H THR 75 H THR 75 2.459 6.866 -10.048 551 HA THR 75 HA THR 75 1.029 6.568 -12.580 552 HB THR 75 HB THR 75 0.629 4.471 -11.321 553 HG1 THR 75 1HG THR 75 -1.380 6.291 -11.992 554 HG21 THR 75 3HG2 THR 75 0.533 6.115 -9.103 555 HG22 THR 75 1HG2 THR 75 0.073 4.414 -9.153 556 HG23 THR 75 2HG2 THR 75 -1.154 5.666 -9.353 557 H THR 76 H THR 76 -0.647 8.003 -12.864 558 HA THR 76 HA THR 76 -0.820 10.135 -10.856 559 HB THR 76 HB THR 76 -1.812 11.505 -12.660 560 HG1 THR 76 1HG THR 76 -2.448 9.376 -13.807 561 HG21 THR 76 3HG2 THR 76 0.773 11.037 -12.254 562 HG22 THR 76 1HG2 THR 76 0.209 12.070 -13.566 563 HG23 THR 76 2HG2 THR 76 0.655 10.395 -13.892 564 H SER 77 H SER 77 -2.276 7.502 -10.820 565 HA SER 77 HA SER 77 -5.014 8.588 -10.718 566 HB2 SER 77 1HB SER 77 -4.084 5.812 -11.469 567 HB3 SER 77 2HB SER 77 -5.765 6.204 -11.106 568 HG SER 77 HG SER 77 -4.155 7.140 -13.232 569 H LEU 78 H LEU 78 -6.436 7.454 -9.141 570 HA LEU 78 HA LEU 78 -5.008 7.141 -6.627 571 HB2 LEU 78 1HB LEU 78 -7.969 7.190 -7.190 572 HB3 LEU 78 2HB LEU 78 -7.217 7.232 -5.597 573 HG LEU 78 HG LEU 78 -6.683 9.384 -7.618 574 HD11 LEU 78 1HD1 LEU 78 -9.088 9.282 -7.443 575 HD12 LEU 78 2HD1 LEU 78 -8.490 10.685 -6.557 576 HD13 LEU 78 3HD1 LEU 78 -8.990 9.238 -5.682 577 HD21 LEU 78 3HD2 LEU 78 -6.605 9.263 -4.605 578 HD22 LEU 78 1HD2 LEU 78 -6.285 10.702 -5.574 579 HD23 LEU 78 2HD2 LEU 78 -5.218 9.302 -5.694 580 H SER 79 H SER 79 -5.446 5.091 -8.980 581 HA SER 79 HA SER 79 -5.669 2.804 -7.193 582 HB2 SER 79 1HB SER 79 -7.497 1.796 -8.183 583 HB3 SER 79 2HB SER 79 -7.965 3.491 -8.310 584 HG SER 79 HG SER 79 -8.143 3.021 -10.355 585 H TYR 80 H TYR 80 -4.326 1.191 -7.754 586 HA TYR 80 HA TYR 80 -3.162 1.233 -10.457 587 HB2 TYR 80 1HB TYR 80 -1.538 2.197 -8.915 588 HB3 TYR 80 2HB TYR 80 -1.685 0.802 -7.851 589 HD1 TYR 80 1HD TYR 80 -0.422 1.970 -11.111 590 HD2 TYR 80 2HD TYR 80 -0.526 -1.238 -8.319 591 HE1 TYR 80 1HE TYR 80 1.397 0.855 -12.334 592 HE2 TYR 80 2HE TYR 80 1.294 -2.362 -9.533 593 HH TYR 80 HH TYR 80 2.170 -2.305 -11.998 594 H THR 81 H THR 81 -2.537 -0.771 -11.312 595 HA THR 81 HA THR 81 -3.667 -3.098 -9.899 596 HB THR 81 HB THR 81 -3.320 -2.911 -12.888 597 HG1 THR 81 1HG THR 81 -4.775 -1.260 -12.048 598 HG21 THR 81 3HG2 THR 81 -4.245 -4.919 -11.022 599 HG22 THR 81 1HG2 THR 81 -3.897 -5.064 -12.744 600 HG23 THR 81 2HG2 THR 81 -5.489 -4.525 -12.209 601 H ALA 82 H ALA 82 -1.943 -4.036 -8.945 602 HA ALA 82 HA ALA 82 0.638 -4.170 -10.187 603 HB1 ALA 82 3HB ALA 82 1.338 -5.362 -8.233 604 HB2 ALA 82 1HB ALA 82 0.281 -4.044 -7.725 605 HB3 ALA 82 2HB ALA 82 -0.332 -5.697 -7.778 606 H THR 83 H THR 83 0.688 -5.349 -12.031 607 HA THR 83 HA THR 83 -0.538 -8.006 -12.063 608 HB THR 83 HB THR 83 -0.142 -8.008 -14.461 609 HG1 THR 83 1HG THR 83 0.948 -5.396 -14.212 610 HG21 THR 83 3HG2 THR 83 -1.343 -5.450 -13.407 611 HG22 THR 83 1HG2 THR 83 -2.183 -6.949 -13.798 612 HG23 THR 83 2HG2 THR 83 -1.476 -5.974 -15.085 613 H GLY 84 H GLY 84 0.632 -9.880 -12.622 614 HA2 GLY 84 1HA GLY 84 2.480 -11.252 -12.804 615 HA3 GLY 84 2HA GLY 84 3.469 -9.816 -13.023 616 H LEU 85 H LEU 85 1.436 -11.036 -10.359 617 HA LEU 85 HA LEU 85 3.702 -10.554 -8.548 618 HB2 LEU 85 1HB LEU 85 0.923 -11.029 -7.578 619 HB3 LEU 85 2HB LEU 85 2.221 -10.087 -6.847 620 HG LEU 85 HG LEU 85 0.831 -9.186 -9.354 621 HD11 LEU 85 1HD1 LEU 85 -0.058 -7.791 -7.014 622 HD12 LEU 85 2HD1 LEU 85 -0.408 -9.512 -6.860 623 HD13 LEU 85 3HD1 LEU 85 -1.005 -8.613 -8.254 624 HD21 LEU 85 3HD2 LEU 85 3.080 -8.262 -8.348 625 HD22 LEU 85 1HD2 LEU 85 1.983 -7.409 -7.262 626 HD23 LEU 85 2HD2 LEU 85 1.860 -7.170 -9.005 627 H LYS 86 H LYS 86 3.171 -12.042 -6.417 628 HA LYS 86 HA LYS 86 3.519 -14.759 -7.418 629 HB2 LYS 86 1HB LYS 86 5.085 -13.646 -5.734 630 HB3 LYS 86 2HB LYS 86 3.791 -13.842 -4.559 631 HG2 LYS 86 1HG LYS 86 3.903 -16.198 -4.685 632 HG3 LYS 86 2HG LYS 86 4.930 -16.143 -6.119 633 HD2 LYS 86 1HD LYS 86 6.810 -15.674 -4.921 634 HD3 LYS 86 2HD LYS 86 5.927 -14.783 -3.679 635 HE2 LYS 86 1HE LYS 86 6.577 -16.684 -2.540 636 HE3 LYS 86 2HE LYS 86 4.952 -17.113 -3.072 637 HZ1 LYS 86 3HZ LYS 86 6.743 -18.833 -3.419 638 HZ2 LYS 86 1HZ LYS 86 7.363 -17.829 -4.632 639 HZ3 LYS 86 2HZ LYS 86 5.800 -18.461 -4.773 640 HA PRO 87 HA PRO 87 -0.643 -15.846 -6.362 641 HB2 PRO 87 1HB PRO 87 -0.366 -18.532 -6.643 642 HB3 PRO 87 2HB PRO 87 -0.477 -17.428 -8.019 643 HG2 PRO 87 1HG PRO 87 1.948 -18.666 -6.776 644 HG3 PRO 87 2HG PRO 87 1.551 -18.462 -8.492 645 HD2 PRO 87 1HD PRO 87 3.254 -16.812 -7.185 646 HD3 PRO 87 2HD PRO 87 2.216 -16.255 -8.513 647 H ASN 88 H ASN 88 -1.679 -16.325 -4.505 648 HA ASN 88 HA ASN 88 -2.030 -16.866 -2.324 649 HB2 ASN 88 1HB ASN 88 -1.256 -19.148 -3.462 650 HB3 ASN 88 2HB ASN 88 0.106 -18.946 -2.364 651 HD21 ASN 88 1HD2 ASN 88 -3.394 -19.181 -2.541 652 HD22 ASN 88 2HD2 ASN 88 -3.620 -19.775 -0.934 653 H THR 89 H THR 89 -0.127 -14.823 -2.904 654 HA THR 89 HA THR 89 1.428 -14.934 -0.422 655 HB THR 89 HB THR 89 2.673 -13.776 -2.901 656 HG1 THR 89 1HG THR 89 2.721 -16.470 -1.995 657 HG21 THR 89 3HG2 THR 89 3.494 -13.294 -0.532 658 HG22 THR 89 1HG2 THR 89 4.690 -13.880 -1.687 659 HG23 THR 89 2HG2 THR 89 4.007 -14.980 -0.488 660 H MET 90 H MET 90 1.062 -13.188 0.772 661 HA MET 90 HA MET 90 -0.177 -10.855 -0.476 662 HB2 MET 90 1HB MET 90 -1.291 -11.813 1.482 663 HB3 MET 90 2HB MET 90 0.166 -11.580 2.439 664 HG2 MET 90 1HG MET 90 -0.994 -9.202 1.109 665 HG3 MET 90 2HG MET 90 -1.859 -9.876 2.488 666 HE1 MET 90 3HE MET 90 -0.526 -10.843 4.360 667 HE2 MET 90 1HE MET 90 1.142 -10.436 4.761 668 HE3 MET 90 2HE MET 90 -0.182 -9.470 5.412 669 H TYR 91 H TYR 91 0.586 -8.732 -0.115 670 HA TYR 91 HA TYR 91 3.314 -8.494 0.936 671 HB2 TYR 91 1HB TYR 91 2.683 -6.911 -1.496 672 HB3 TYR 91 2HB TYR 91 4.211 -7.611 -0.972 673 HD1 TYR 91 1HD TYR 91 4.097 -10.328 -0.914 674 HD2 TYR 91 2HD TYR 91 1.796 -7.782 -3.429 675 HE1 TYR 91 1HE TYR 91 3.800 -12.180 -2.506 676 HE2 TYR 91 2HE TYR 91 1.491 -9.627 -5.028 677 HH TYR 91 HH TYR 91 1.522 -12.216 -4.879 678 H GLU 92 H GLU 92 3.927 -6.042 0.949 679 HA GLU 92 HA GLU 92 1.670 -4.641 2.198 680 HB2 GLU 92 1HB GLU 92 3.268 -4.581 3.820 681 HB3 GLU 92 2HB GLU 92 4.592 -4.702 2.670 682 HG2 GLU 92 1HG GLU 92 4.713 -2.445 2.352 683 HG3 GLU 92 2HG GLU 92 3.014 -2.187 2.745 684 H PHE 93 H PHE 93 0.781 -2.953 1.219 685 HA PHE 93 HA PHE 93 2.285 -1.646 -0.952 686 HB2 PHE 93 1HB PHE 93 -0.696 -2.043 -0.634 687 HB3 PHE 93 2HB PHE 93 0.041 -1.055 -1.891 688 HD1 PHE 93 2HD PHE 93 -0.015 -4.510 -0.529 689 HD2 PHE 93 1HD PHE 93 0.689 -2.011 -3.902 690 HE1 PHE 93 2HE PHE 93 0.214 -6.503 -1.953 691 HE2 PHE 93 1HE PHE 93 0.918 -4.000 -5.332 692 HZ PHE 93 HZ PHE 93 0.682 -6.250 -4.358 693 H SER 94 H SER 94 2.232 0.595 -1.123 694 HA SER 94 HA SER 94 0.778 2.164 0.828 695 HB2 SER 94 1HB SER 94 3.707 1.676 1.005 696 HB3 SER 94 2HB SER 94 3.149 3.323 1.299 697 HG SER 94 HG SER 94 1.854 2.562 2.955 698 H VAL 95 H VAL 95 0.541 4.311 0.241 699 HA VAL 95 HA VAL 95 1.601 5.006 -2.421 700 HB VAL 95 HB VAL 95 -0.904 6.147 -1.192 701 HG11 VAL 95 1HG1 VAL 95 -1.402 6.675 -3.579 702 HG12 VAL 95 2HG1 VAL 95 0.005 7.519 -2.930 703 HG13 VAL 95 3HG1 VAL 95 0.222 6.123 -3.987 704 HG21 VAL 95 3HG2 VAL 95 -0.534 3.686 -2.869 705 HG22 VAL 95 1HG2 VAL 95 -1.445 3.878 -1.371 706 HG23 VAL 95 2HG2 VAL 95 -2.051 4.585 -2.869 707 H MET 96 H MET 96 2.102 7.236 -2.819 708 HA MET 96 HA MET 96 2.305 9.019 -0.540 709 HB2 MET 96 1HB MET 96 4.730 9.404 -0.884 710 HB3 MET 96 2HB MET 96 4.369 7.780 -0.316 711 HG2 MET 96 1HG MET 96 4.696 6.873 -2.506 712 HG3 MET 96 2HG MET 96 4.860 8.486 -3.197 713 HE1 MET 96 3HE MET 96 8.259 9.695 -1.715 714 HE2 MET 96 1HE MET 96 7.002 10.027 -2.907 715 HE3 MET 96 2HE MET 96 6.610 10.036 -1.187 716 H VAL 97 H VAL 97 3.783 11.021 -1.463 717 HA VAL 97 HA VAL 97 2.962 11.618 -4.205 718 HB VAL 97 HB VAL 97 1.122 12.513 -2.953 719 HG11 VAL 97 1HG1 VAL 97 3.263 13.643 -1.186 720 HG12 VAL 97 2HG1 VAL 97 1.649 14.356 -1.236 721 HG13 VAL 97 3HG1 VAL 97 1.856 12.674 -0.748 722 HG21 VAL 97 3HG2 VAL 97 3.070 14.655 -3.792 723 HG22 VAL 97 1HG2 VAL 97 1.821 13.897 -4.780 724 HG23 VAL 97 2HG2 VAL 97 1.368 14.947 -3.438 725 H THR 98 H THR 98 4.281 13.057 -5.266 726 HA THR 98 HA THR 98 6.573 14.107 -3.738 727 HB THR 98 HB THR 98 6.601 12.895 -6.507 728 HG1 THR 98 1HG THR 98 8.191 12.151 -4.284 729 HG21 THR 98 3HG2 THR 98 9.191 13.556 -5.421 730 HG22 THR 98 1HG2 THR 98 8.184 14.997 -5.559 731 HG23 THR 98 2HG2 THR 98 8.486 13.992 -6.977 732 H LYS 99 H LYS 99 5.851 16.197 -3.562 733 HA LYS 99 HA LYS 99 5.529 17.662 -6.098 734 HB2 LYS 99 1HB LYS 99 3.410 17.423 -4.754 735 HB3 LYS 99 2HB LYS 99 4.181 18.370 -3.489 736 HG2 LYS 99 1HG LYS 99 4.276 20.295 -4.856 737 HG3 LYS 99 2HG LYS 99 3.857 19.374 -6.302 738 HD2 LYS 99 1HD LYS 99 1.844 20.380 -5.778 739 HD3 LYS 99 2HD LYS 99 1.682 18.812 -4.983 740 HE2 LYS 99 1HE LYS 99 2.687 20.031 -2.928 741 HE3 LYS 99 2HE LYS 99 2.215 21.502 -3.778 742 HZ1 LYS 99 3HZ LYS 99 0.532 20.642 -2.187 743 HZ2 LYS 99 1HZ LYS 99 0.342 19.282 -3.175 744 HZ3 LYS 99 2HZ LYS 99 -0.046 20.818 -3.767 745 H ASN 100 H ASN 100 6.121 19.962 -5.974 746 HA ASN 100 HA ASN 100 7.574 21.647 -5.501 747 HB2 ASN 100 1HB ASN 100 6.488 21.244 -3.167 748 HB3 ASN 100 2HB ASN 100 8.036 20.511 -2.760 749 HD21 ASN 100 1HD2 ASN 100 7.465 22.533 -1.257 750 HD22 ASN 100 2HD2 ASN 100 8.312 23.970 -1.707 751 H ARG 101 H ARG 101 8.501 19.128 -6.604 752 HA ARG 101 HA ARG 101 10.453 18.144 -7.232 753 HB2 ARG 101 1HB ARG 101 11.622 20.593 -5.902 754 HB3 ARG 101 2HB ARG 101 12.566 19.428 -6.822 755 HG2 ARG 101 1HG ARG 101 10.803 19.954 -8.693 756 HG3 ARG 101 2HG ARG 101 10.593 21.441 -7.766 757 HD2 ARG 101 1HD ARG 101 12.841 22.069 -8.067 758 HD3 ARG 101 2HD ARG 101 13.302 20.455 -8.607 759 HE ARG 101 HE ARG 101 11.397 21.497 -10.383 760 HH11 ARG 101 1HH1 ARG 101 14.699 22.004 -9.401 761 HH12 ARG 101 2HH1 ARG 101 15.196 22.635 -10.936 762 HH21 ARG 101 1HH2 ARG 101 12.040 22.326 -12.409 763 HH22 ARG 101 2HH2 ARG 101 13.682 22.818 -12.646 764 H ARG 102 H ARG 102 9.214 17.646 -4.569 765 HA ARG 102 HA ARG 102 11.474 16.195 -3.424 766 HB2 ARG 102 1HB ARG 102 11.110 16.958 -1.201 767 HB3 ARG 102 2HB ARG 102 11.209 18.393 -2.212 768 HG2 ARG 102 1HG ARG 102 8.885 18.759 -2.099 769 HG3 ARG 102 2HG ARG 102 8.589 17.149 -1.438 770 HD2 ARG 102 1HD ARG 102 10.070 19.386 -0.057 771 HD3 ARG 102 2HD ARG 102 8.416 18.879 0.285 772 HE ARG 102 HE ARG 102 9.233 16.999 1.374 773 HH11 ARG 102 1HH1 ARG 102 11.815 18.787 -0.127 774 HH12 ARG 102 2HH1 ARG 102 13.068 17.942 0.720 775 HH21 ARG 102 1HH2 ARG 102 10.873 15.879 2.495 776 HH22 ARG 102 2HH2 ARG 102 12.531 16.287 2.210 777 H SER 103 H SER 103 10.818 14.471 -1.970 778 HA SER 103 HA SER 103 8.141 13.464 -2.652 779 HB2 SER 103 1HB SER 103 8.979 11.313 -2.655 780 HB3 SER 103 2HB SER 103 10.413 12.204 -3.166 781 HG SER 103 HG SER 103 11.299 11.265 -1.507 782 H SER 104 H SER 104 6.770 12.678 -1.077 783 HA SER 104 HA SER 104 7.416 13.532 1.655 784 HB2 SER 104 1HB SER 104 5.078 13.692 2.061 785 HB3 SER 104 2HB SER 104 5.331 14.383 0.458 786 HG SER 104 HG SER 104 4.099 11.989 1.199 787 H THR 105 H THR 105 5.960 12.112 3.278 788 HA THR 105 HA THR 105 7.181 9.516 3.233 789 HB THR 105 HB THR 105 6.858 10.787 5.339 790 HG1 THR 105 1HG THR 105 5.323 8.457 5.646 791 HG21 THR 105 3HG2 THR 105 3.945 10.051 5.077 792 HG22 THR 105 1HG2 THR 105 4.583 11.656 4.726 793 HG23 THR 105 2HG2 THR 105 4.703 10.996 6.357 794 H TRP 106 H TRP 106 5.793 7.558 3.812 795 HA TRP 106 HA TRP 106 3.725 7.332 1.783 796 HB2 TRP 106 1HB TRP 106 4.958 5.244 3.593 797 HB3 TRP 106 2HB TRP 106 3.811 4.914 2.298 798 HD1 TRP 106 HD TRP 106 7.462 5.887 2.889 799 HE1 TRP 106 1HE TRP 106 8.773 5.530 0.704 800 HE3 TRP 106 3HE TRP 106 3.555 4.854 -0.243 801 HZ2 TRP 106 2HZ TRP 106 8.225 4.895 -1.991 802 HZ3 TRP 106 3HZ TRP 106 4.034 4.384 -2.610 803 HH2 TRP 106 HH TRP 106 6.321 4.405 -3.464 804 H SER 107 H SER 107 1.684 6.213 2.283 805 HA SER 107 HA SER 107 0.606 7.193 4.824 806 HB2 SER 107 1HB SER 107 -1.591 6.963 3.793 807 HB3 SER 107 2HB SER 107 -0.527 7.876 2.723 808 HG SER 107 HG SER 107 -0.696 5.096 2.419 809 H MET 108 H MET 108 -1.410 5.709 5.488 810 HA MET 108 HA MET 108 -0.443 3.483 6.747 811 HB2 MET 108 1HB MET 108 -2.838 2.697 6.833 812 HB3 MET 108 2HB MET 108 -2.567 4.341 7.394 813 HG2 MET 108 1HG MET 108 -3.498 5.272 5.448 814 HG3 MET 108 2HG MET 108 -3.442 3.733 4.592 815 HE1 MET 108 3HE MET 108 -5.948 2.036 4.686 816 HE2 MET 108 1HE MET 108 -4.446 1.688 5.543 817 HE3 MET 108 2HE MET 108 -5.988 1.591 6.393 818 H THR 109 H THR 109 0.107 1.473 6.189 819 HA THR 109 HA THR 109 0.171 0.702 3.449 820 HB THR 109 HB THR 109 0.786 -0.853 5.965 821 HG1 THR 109 1HG THR 109 2.809 -0.201 5.615 822 HG21 THR 109 3HG2 THR 109 1.128 -1.629 3.070 823 HG22 THR 109 1HG2 THR 109 0.171 -2.460 4.295 824 HG23 THR 109 2HG2 THR 109 1.931 -2.447 4.409 825 H ALA 110 H ALA 110 -0.773 -1.241 2.546 826 HA ALA 110 HA ALA 110 -3.288 -2.055 3.841 827 HB1 ALA 110 3HB ALA 110 -3.837 -0.456 2.101 828 HB2 ALA 110 1HB ALA 110 -2.923 -1.395 0.920 829 HB3 ALA 110 2HB ALA 110 -4.386 -2.068 1.642 830 H HIS 111 H HIS 111 -3.219 -4.158 4.244 831 HA HIS 111 HA HIS 111 -1.445 -5.891 2.732 832 HB2 HIS 111 1HB HIS 111 -3.016 -6.158 5.267 833 HB3 HIS 111 2HB HIS 111 -2.465 -7.610 4.437 834 HD1 HIS 111 1HD HIS 111 0.309 -6.272 3.536 835 HD2 HIS 111 2HD HIS 111 -1.242 -6.456 7.386 836 HE1 HIS 111 1HE HIS 111 2.291 -6.064 5.070 837 HE2 HIS 111 2HE HIS 111 1.338 -6.264 7.392 838 H ALA 112 H ALA 112 -2.053 -7.367 1.258 839 HA ALA 112 HA ALA 112 -4.809 -8.242 1.066 840 HB1 ALA 112 3HB ALA 112 -4.763 -6.112 -0.200 841 HB2 ALA 112 1HB ALA 112 -3.545 -6.811 -1.267 842 HB3 ALA 112 2HB ALA 112 -5.164 -7.509 -1.198 843 H THR 113 H THR 113 -4.556 -10.371 0.950 844 HA THR 113 HA THR 113 -2.212 -11.549 -0.264 845 HB THR 113 HB THR 113 -4.597 -13.092 0.730 846 HG1 THR 113 1HG THR 113 -3.511 -11.369 2.217 847 HG21 THR 113 3HG2 THR 113 -3.165 -14.657 -0.104 848 HG22 THR 113 1HG2 THR 113 -2.461 -14.490 1.504 849 HG23 THR 113 2HG2 THR 113 -1.742 -13.642 0.134 850 H THR 114 H THR 114 -2.232 -13.039 -1.995 851 HA THR 114 HA THR 114 -4.292 -12.459 -3.978 852 HB THR 114 HB THR 114 -2.755 -13.723 -5.533 853 HG1 THR 114 1HG THR 114 -0.828 -14.410 -4.793 854 HG21 THR 114 3HG2 THR 114 -2.778 -11.213 -5.197 855 HG22 THR 114 1HG2 THR 114 -1.283 -11.888 -5.843 856 HG23 THR 114 2HG2 THR 114 -1.380 -11.431 -4.143 857 H TYR 115 H TYR 115 -5.143 -14.225 -5.320 858 HA TYR 115 HA TYR 115 -6.116 -16.361 -3.666 859 HB2 TYR 115 1HB TYR 115 -6.515 -15.996 -6.639 860 HB3 TYR 115 2HB TYR 115 -7.504 -16.952 -5.541 861 HD1 TYR 115 1HD TYR 115 -6.696 -13.569 -6.690 862 HD2 TYR 115 2HD TYR 115 -9.109 -15.889 -4.064 863 HE1 TYR 115 1HE TYR 115 -8.154 -11.623 -6.320 864 HE2 TYR 115 2HE TYR 115 -10.574 -13.949 -3.687 865 HH TYR 115 HH TYR 115 -11.026 -11.848 -4.244 866 H GLU 116 H GLU 116 -5.775 -18.568 -3.918 867 HA GLU 116 HA GLU 116 -3.164 -19.348 -4.656 868 HB2 GLU 116 1HB GLU 116 -4.948 -20.429 -3.024 869 HB3 GLU 116 2HB GLU 116 -5.351 -21.368 -4.455 870 HG2 GLU 116 1HG GLU 116 -3.085 -22.186 -4.603 871 HG3 GLU 116 2HG GLU 116 -2.603 -21.174 -3.244 872 H ALA 117 H ALA 117 -2.458 -19.395 -6.685 873 HA ALA 117 HA ALA 117 -3.856 -19.362 -9.020 874 HB1 ALA 117 3HB ALA 117 -1.386 -21.021 -8.970 875 HB2 ALA 117 1HB ALA 117 -1.883 -19.764 -10.104 876 HB3 ALA 117 2HB ALA 117 -1.274 -19.322 -8.508 877 H SER 118 H SER 118 -2.706 -22.291 -7.353 878 HA SER 118 HA SER 118 -3.668 -24.176 -9.155 879 HB2 SER 118 1HB SER 118 -3.554 -24.509 -6.149 880 HB3 SER 118 2HB SER 118 -3.490 -25.788 -7.362 881 HG SER 118 HG SER 118 -1.550 -24.426 -8.104 882 H GLY 119 H GLY 119 -5.271 -22.836 -6.270 883 HA2 GLY 119 1HA GLY 119 -7.856 -23.309 -7.541 884 HA3 GLY 119 2HA GLY 119 -7.566 -24.130 -6.015 885 HA PRO 120 HA PRO 120 -7.996 -19.301 -5.427 886 HB2 PRO 120 1HB PRO 120 -9.969 -18.304 -7.004 887 HB3 PRO 120 2HB PRO 120 -8.268 -18.311 -7.483 888 HG2 PRO 120 1HG PRO 120 -10.460 -20.201 -8.249 889 HG3 PRO 120 2HG PRO 120 -9.196 -19.482 -9.265 890 HD2 PRO 120 1HD PRO 120 -9.040 -22.014 -8.317 891 HD3 PRO 120 2HD PRO 120 -7.605 -21.002 -8.578 892 H SER 121 H SER 121 -9.810 -18.119 -4.396 893 HA SER 121 HA SER 121 -11.468 -19.924 -2.936 894 HB2 SER 121 1HB SER 121 -11.364 -16.901 -3.008 895 HB3 SER 121 2HB SER 121 -12.374 -17.826 -1.896 896 HG SER 121 HG SER 121 -9.543 -17.954 -2.090 897 H SER 122 H SER 122 -13.107 -20.887 -3.969 898 HA SER 122 HA SER 122 -14.869 -19.226 -5.643 899 HB2 SER 122 1HB SER 122 -13.830 -21.113 -6.832 900 HB3 SER 122 2HB SER 122 -14.510 -22.233 -5.652 901 HG SER 122 HG SER 122 -16.452 -20.668 -6.636 902 H GLY 123 H GLY 123 -16.482 -18.491 -4.395 903 HA2 GLY 123 1HA GLY 123 -18.675 -18.966 -3.538 904 HA3 GLY 123 2HA GLY 123 -18.063 -20.498 -2.931 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -4.191 8.780 42.728 2 HA2 GLY 1 1HA GLY 1 -5.280 10.931 43.560 3 HA3 GLY 1 2HA GLY 1 -3.524 10.906 43.630 4 H SER 2 H SER 2 -2.590 12.662 42.849 5 HA SER 2 HA SER 2 -4.086 14.396 41.045 6 HB2 SER 2 1HB SER 2 -2.947 15.314 43.083 7 HB3 SER 2 2HB SER 2 -1.400 14.902 42.345 8 HG SER 2 HG SER 2 -1.681 16.929 41.686 9 H SER 3 H SER 3 -3.531 12.256 39.627 10 HA SER 3 HA SER 3 -2.270 11.296 37.949 11 HB2 SER 3 1HB SER 3 -3.529 13.461 37.100 12 HB3 SER 3 2HB SER 3 -1.886 14.061 36.875 13 HG SER 3 HG SER 3 -2.180 11.533 35.929 14 H GLY 4 H GLY 4 -0.619 11.667 40.136 15 HA2 GLY 4 1HA GLY 4 1.916 12.409 38.814 16 HA3 GLY 4 2HA GLY 4 1.581 12.871 40.476 17 H SER 5 H SER 5 0.980 9.804 38.791 18 HA SER 5 HA SER 5 2.846 8.508 40.665 19 HB2 SER 5 1HB SER 5 1.301 6.569 40.748 20 HB3 SER 5 2HB SER 5 0.569 8.036 41.398 21 HG SER 5 HG SER 5 -0.133 8.187 38.988 22 H SER 6 H SER 6 3.598 9.346 38.132 23 HA SER 6 HA SER 6 4.600 6.938 37.024 24 HB2 SER 6 1HB SER 6 2.185 8.155 35.774 25 HB3 SER 6 2HB SER 6 3.448 7.562 34.696 26 HG SER 6 HG SER 6 2.729 5.638 35.075 27 H GLY 7 H GLY 7 5.655 7.450 34.778 28 HA2 GLY 7 1HA GLY 7 7.514 9.523 35.193 29 HA3 GLY 7 2HA GLY 7 7.290 8.638 33.691 30 H PHE 8 H PHE 8 7.893 10.875 32.905 31 HA PHE 8 HA PHE 8 5.465 12.206 32.082 32 HB2 PHE 8 1HB PHE 8 6.402 13.214 34.339 33 HB3 PHE 8 2HB PHE 8 7.528 14.023 33.254 34 HD1 PHE 8 1HD PHE 8 3.934 13.550 33.994 35 HD2 PHE 8 2HD PHE 8 6.880 15.912 32.029 36 HE1 PHE 8 1HE PHE 8 2.238 15.271 33.527 37 HE2 PHE 8 2HE PHE 8 5.190 17.637 31.561 38 HZ PHE 8 HZ PHE 8 2.866 17.318 32.310 39 HA PRO 9 HA PRO 9 8.339 12.135 28.612 40 HB2 PRO 9 1HB PRO 9 6.426 12.567 26.735 41 HB3 PRO 9 2HB PRO 9 6.729 10.979 27.450 42 HG2 PRO 9 1HG PRO 9 4.614 12.987 28.125 43 HG3 PRO 9 2HG PRO 9 4.473 11.228 27.957 44 HD2 PRO 9 1HD PRO 9 4.649 12.452 30.366 45 HD3 PRO 9 2HD PRO 9 5.313 10.833 30.067 46 H THR 10 H THR 10 9.360 14.105 29.235 47 HA THR 10 HA THR 10 8.088 16.631 28.676 48 HB THR 10 HB THR 10 10.955 16.022 29.425 49 HG1 THR 10 1HG THR 10 8.984 17.168 31.102 50 HG21 THR 10 3HG2 THR 10 11.381 18.265 29.561 51 HG22 THR 10 1HG2 THR 10 9.696 18.680 29.871 52 HG23 THR 10 2HG2 THR 10 10.219 18.279 28.235 53 H SER 11 H SER 11 10.804 14.786 27.309 54 HA SER 11 HA SER 11 11.097 16.651 25.120 55 HB2 SER 11 1HB SER 11 12.898 15.154 24.372 56 HB3 SER 11 2HB SER 11 13.078 15.552 26.080 57 HG SER 11 HG SER 11 12.297 13.537 26.614 58 H VAL 12 H VAL 12 8.972 16.464 24.217 59 HA VAL 12 HA VAL 12 8.672 14.066 22.533 60 HB VAL 12 HB VAL 12 6.208 14.322 22.718 61 HG11 VAL 12 1HG1 VAL 12 7.495 12.707 24.095 62 HG12 VAL 12 2HG1 VAL 12 7.551 13.908 25.386 63 HG13 VAL 12 3HG1 VAL 12 6.002 13.249 24.860 64 HG21 VAL 12 3HG2 VAL 12 7.009 16.672 24.229 65 HG22 VAL 12 1HG2 VAL 12 5.456 16.275 23.494 66 HG23 VAL 12 2HG2 VAL 12 5.851 15.669 25.102 67 HA PRO 13 HA PRO 13 8.777 17.232 19.388 68 HB2 PRO 13 1HB PRO 13 8.595 15.522 17.287 69 HB3 PRO 13 2HB PRO 13 10.094 15.783 18.187 70 HG2 PRO 13 1HG PRO 13 8.102 13.562 18.431 71 HG3 PRO 13 2HG PRO 13 9.874 13.481 18.427 72 HD2 PRO 13 1HD PRO 13 8.415 13.368 20.705 73 HD3 PRO 13 2HD PRO 13 10.032 14.098 20.642 74 H ASP 14 H ASP 14 6.945 18.396 19.273 75 HA ASP 14 HA ASP 14 4.609 17.139 18.006 76 HB2 ASP 14 1HB ASP 14 3.097 18.016 19.551 77 HB3 ASP 14 2HB ASP 14 4.437 17.498 20.570 78 H LEU 15 H LEU 15 6.496 18.555 16.601 79 HA LEU 15 HA LEU 15 5.505 21.278 16.292 80 HB2 LEU 15 1HB LEU 15 7.882 19.760 15.352 81 HB3 LEU 15 2HB LEU 15 7.347 21.143 14.398 82 HG LEU 15 HG LEU 15 8.003 21.314 17.334 83 HD11 LEU 15 1HD1 LEU 15 10.020 20.634 16.272 84 HD12 LEU 15 2HD1 LEU 15 10.128 22.373 16.539 85 HD13 LEU 15 3HD1 LEU 15 9.763 21.750 14.931 86 HD21 LEU 15 3HD2 LEU 15 6.840 23.101 15.433 87 HD22 LEU 15 1HD2 LEU 15 8.411 23.726 15.933 88 HD23 LEU 15 2HD2 LEU 15 7.181 23.365 17.144 89 H SER 16 H SER 16 5.522 21.954 13.807 90 HA SER 16 HA SER 16 3.214 21.043 12.654 91 HB2 SER 16 1HB SER 16 3.979 22.064 10.564 92 HB3 SER 16 2HB SER 16 4.406 23.084 11.938 93 HG SER 16 HG SER 16 6.499 21.836 11.802 94 H THR 17 H THR 17 3.136 20.021 10.354 95 HA THR 17 HA THR 17 4.789 17.579 10.372 96 HB THR 17 HB THR 17 2.882 16.348 9.432 97 HG1 THR 17 1HG THR 17 1.746 18.904 9.476 98 HG21 THR 17 3HG2 THR 17 3.271 16.560 11.927 99 HG22 THR 17 1HG2 THR 17 1.639 16.108 11.438 100 HG23 THR 17 2HG2 THR 17 1.984 17.765 11.934 101 HA PRO 18 HA PRO 18 5.988 18.625 6.268 102 HB2 PRO 18 1HB PRO 18 6.651 16.155 5.360 103 HB3 PRO 18 2HB PRO 18 7.647 17.054 6.511 104 HG2 PRO 18 1HG PRO 18 5.675 14.860 7.021 105 HG3 PRO 18 2HG PRO 18 7.284 15.104 7.725 106 HD2 PRO 18 1HD PRO 18 5.006 15.763 9.033 107 HD3 PRO 18 2HD PRO 18 6.522 16.664 9.242 108 H MET 19 H MET 19 5.750 17.131 4.001 109 HA MET 19 HA MET 19 3.399 17.751 2.871 110 HB2 MET 19 1HB MET 19 5.250 15.452 2.409 111 HB3 MET 19 2HB MET 19 3.727 15.499 1.530 112 HG2 MET 19 1HG MET 19 5.495 17.898 1.538 113 HG3 MET 19 2HG MET 19 5.881 16.528 0.499 114 HE1 MET 19 3HE MET 19 3.906 16.474 -2.278 115 HE2 MET 19 1HE MET 19 4.472 15.452 -0.956 116 HE3 MET 19 2HE MET 19 2.748 15.772 -1.146 117 H LEU 20 H LEU 20 1.420 16.652 2.391 118 HA LEU 20 HA LEU 20 0.564 14.893 4.583 119 HB2 LEU 20 1HB LEU 20 -0.545 17.189 3.898 120 HB3 LEU 20 2HB LEU 20 -1.367 16.173 2.716 121 HG LEU 20 HG LEU 20 -2.735 16.523 4.704 122 HD11 LEU 20 1HD1 LEU 20 -1.709 13.765 4.142 123 HD12 LEU 20 2HD1 LEU 20 -3.229 14.508 3.648 124 HD13 LEU 20 3HD1 LEU 20 -2.980 14.046 5.331 125 HD21 LEU 20 3HD2 LEU 20 -1.438 14.885 6.603 126 HD22 LEU 20 1HD2 LEU 20 -1.807 16.606 6.716 127 HD23 LEU 20 2HD2 LEU 20 -0.261 16.078 6.053 128 HA PRO 21 HA PRO 21 0.662 11.762 1.339 129 HB2 PRO 21 1HB PRO 21 0.404 9.670 3.050 130 HB3 PRO 21 2HB PRO 21 1.943 10.490 2.760 131 HG2 PRO 21 1HG PRO 21 0.010 10.833 5.020 132 HG3 PRO 21 2HG PRO 21 1.780 10.736 5.067 133 HD2 PRO 21 1HD PRO 21 0.445 13.088 5.211 134 HD3 PRO 21 2HD PRO 21 2.042 12.942 4.450 135 HA PRO 22 HA PRO 22 -3.572 10.723 0.770 136 HB2 PRO 22 1HB PRO 22 -3.472 8.150 -0.093 137 HB3 PRO 22 2HB PRO 22 -2.949 9.517 -1.084 138 HG2 PRO 22 1HG PRO 22 -1.303 7.618 0.541 139 HG3 PRO 22 2HG PRO 22 -1.003 8.244 -1.090 140 HD2 PRO 22 1HD PRO 22 0.234 9.239 1.103 141 HD3 PRO 22 2HD PRO 22 -0.168 10.244 -0.304 142 H VAL 23 H VAL 23 -5.213 8.829 1.206 143 HA VAL 23 HA VAL 23 -4.676 7.457 3.723 144 HB VAL 23 HB VAL 23 -6.677 8.285 4.815 145 HG11 VAL 23 1HG1 VAL 23 -5.985 10.648 5.168 146 HG12 VAL 23 2HG1 VAL 23 -4.656 9.494 5.284 147 HG13 VAL 23 3HG1 VAL 23 -4.852 10.472 3.829 148 HG21 VAL 23 3HG2 VAL 23 -8.197 8.766 3.113 149 HG22 VAL 23 1HG2 VAL 23 -7.773 10.356 3.748 150 HG23 VAL 23 2HG2 VAL 23 -7.048 9.784 2.245 151 H GLY 24 H GLY 24 -7.002 6.385 4.360 152 HA2 GLY 24 1HA GLY 24 -8.295 4.557 3.815 153 HA3 GLY 24 2HA GLY 24 -8.853 5.599 2.514 154 H VAL 25 H VAL 25 -5.600 4.288 2.912 155 HA VAL 25 HA VAL 25 -5.509 3.380 0.221 156 HB VAL 25 HB VAL 25 -3.646 2.585 2.459 157 HG11 VAL 25 1HG1 VAL 25 -2.074 2.696 0.338 158 HG12 VAL 25 2HG1 VAL 25 -3.013 1.250 0.716 159 HG13 VAL 25 3HG1 VAL 25 -3.590 2.383 -0.507 160 HG21 VAL 25 3HG2 VAL 25 -4.120 5.130 1.975 161 HG22 VAL 25 1HG2 VAL 25 -2.479 4.546 2.252 162 HG23 VAL 25 2HG2 VAL 25 -3.045 4.839 0.607 163 H GLN 26 H GLN 26 -6.643 1.694 -0.483 164 HA GLN 26 HA GLN 26 -6.808 -0.695 1.233 165 HB2 GLN 26 1HB GLN 26 -8.999 0.310 0.905 166 HB3 GLN 26 2HB GLN 26 -8.770 0.299 -0.839 167 HG2 GLN 26 1HG GLN 26 -8.728 -2.142 -0.820 168 HG3 GLN 26 2HG GLN 26 -8.959 -2.130 0.928 169 HE21 GLN 26 1HE2 GLN 26 -10.427 -1.136 -2.120 170 HE22 GLN 26 2HE2 GLN 26 -12.063 -1.254 -1.579 171 H ALA 27 H ALA 27 -6.255 -2.651 0.393 172 HA ALA 27 HA ALA 27 -5.191 -2.638 -2.355 173 HB1 ALA 27 3HB ALA 27 -4.317 -4.241 0.043 174 HB2 ALA 27 1HB ALA 27 -3.710 -4.485 -1.595 175 HB3 ALA 27 2HB ALA 27 -3.422 -2.954 -0.766 176 H VAL 28 H VAL 28 -6.824 -3.435 -3.571 177 HA VAL 28 HA VAL 28 -8.350 -5.737 -2.650 178 HB VAL 28 HB VAL 28 -8.622 -4.315 -5.296 179 HG11 VAL 28 1HG1 VAL 28 -10.387 -5.631 -5.677 180 HG12 VAL 28 2HG1 VAL 28 -9.753 -6.649 -4.383 181 HG13 VAL 28 3HG1 VAL 28 -10.992 -5.443 -4.032 182 HG21 VAL 28 3HG2 VAL 28 -10.697 -3.444 -3.710 183 HG22 VAL 28 1HG2 VAL 28 -9.315 -3.418 -2.614 184 HG23 VAL 28 2HG2 VAL 28 -9.256 -2.517 -4.129 185 H ALA 29 H ALA 29 -8.088 -7.772 -3.350 186 HA ALA 29 HA ALA 29 -5.891 -8.298 -5.205 187 HB1 ALA 29 3HB ALA 29 -7.408 -10.338 -3.599 188 HB2 ALA 29 1HB ALA 29 -5.807 -10.487 -4.324 189 HB3 ALA 29 2HB ALA 29 -6.054 -9.418 -2.943 190 H LEU 30 H LEU 30 -6.413 -8.453 -7.283 191 HA LEU 30 HA LEU 30 -9.077 -9.196 -8.117 192 HB2 LEU 30 1HB LEU 30 -6.665 -8.732 -9.856 193 HB3 LEU 30 2HB LEU 30 -8.361 -8.668 -10.331 194 HG LEU 30 HG LEU 30 -7.145 -6.729 -8.376 195 HD11 LEU 30 1HD1 LEU 30 -6.330 -6.923 -10.968 196 HD12 LEU 30 2HD1 LEU 30 -6.319 -5.442 -10.011 197 HD13 LEU 30 3HD1 LEU 30 -7.669 -5.781 -11.094 198 HD21 LEU 30 3HD2 LEU 30 -9.655 -7.097 -8.525 199 HD22 LEU 30 1HD2 LEU 30 -9.556 -6.396 -10.140 200 HD23 LEU 30 2HD2 LEU 30 -9.082 -5.441 -8.734 201 H THR 31 H THR 31 -5.800 -10.469 -8.714 202 HA THR 31 HA THR 31 -6.882 -13.175 -8.729 203 HB THR 31 HB THR 31 -6.844 -12.218 -11.122 204 HG1 THR 31 1HG THR 31 -6.057 -14.279 -11.888 205 HG21 THR 31 3HG2 THR 31 -4.918 -11.509 -11.989 206 HG22 THR 31 1HG2 THR 31 -4.129 -13.033 -11.585 207 HG23 THR 31 2HG2 THR 31 -4.169 -11.721 -10.407 208 H HIS 32 H HIS 32 -4.934 -14.758 -9.154 209 HA HIS 32 HA HIS 32 -3.207 -14.622 -7.017 210 HB2 HIS 32 1HB HIS 32 -1.790 -16.275 -8.312 211 HB3 HIS 32 2HB HIS 32 -3.486 -16.710 -8.125 212 HD1 HIS 32 1HD HIS 32 -5.006 -16.426 -10.276 213 HD2 HIS 32 2HD HIS 32 -0.920 -16.014 -10.909 214 HE1 HIS 32 1HE HIS 32 -4.687 -16.621 -12.763 215 HE2 HIS 32 2HE HIS 32 -2.199 -16.454 -13.114 216 H ASP 33 H ASP 33 -2.774 -13.345 -10.265 217 HA ASP 33 HA ASP 33 -0.279 -12.066 -9.357 218 HB2 ASP 33 1HB ASP 33 -1.007 -13.011 -12.137 219 HB3 ASP 33 2HB ASP 33 0.431 -12.072 -11.746 220 H ALA 34 H ALA 34 -2.738 -10.890 -8.869 221 HA ALA 34 HA ALA 34 -2.422 -8.407 -10.304 222 HB1 ALA 34 3HB ALA 34 -4.704 -8.265 -11.117 223 HB2 ALA 34 1HB ALA 34 -3.893 -9.669 -11.811 224 HB3 ALA 34 2HB ALA 34 -5.047 -9.878 -10.494 225 H VAL 35 H VAL 35 -3.103 -6.668 -9.133 226 HA VAL 35 HA VAL 35 -4.898 -7.007 -6.883 227 HB VAL 35 HB VAL 35 -1.977 -6.412 -6.529 228 HG11 VAL 35 1HG1 VAL 35 -2.841 -4.549 -5.433 229 HG12 VAL 35 2HG1 VAL 35 -4.268 -5.421 -4.869 230 HG13 VAL 35 3HG1 VAL 35 -2.692 -5.744 -4.145 231 HG21 VAL 35 3HG2 VAL 35 -2.144 -8.545 -5.849 232 HG22 VAL 35 1HG2 VAL 35 -2.838 -7.853 -4.382 233 HG23 VAL 35 2HG2 VAL 35 -3.895 -8.451 -5.661 234 H ARG 36 H ARG 36 -6.225 -5.329 -6.953 235 HA ARG 36 HA ARG 36 -5.367 -2.865 -8.262 236 HB2 ARG 36 1HB ARG 36 -7.440 -3.513 -9.103 237 HB3 ARG 36 2HB ARG 36 -8.023 -4.044 -7.531 238 HG2 ARG 36 1HG ARG 36 -9.217 -2.086 -8.035 239 HG3 ARG 36 2HG ARG 36 -8.002 -1.612 -6.846 240 HD2 ARG 36 1HD ARG 36 -6.863 -0.329 -8.324 241 HD3 ARG 36 2HD ARG 36 -7.209 -1.400 -9.681 242 HE ARG 36 HE ARG 36 -8.803 0.843 -8.773 243 HH11 ARG 36 1HH1 ARG 36 -8.631 -2.023 -10.742 244 HH12 ARG 36 2HH1 ARG 36 -9.931 -1.544 -11.783 245 HH21 ARG 36 1HH2 ARG 36 -10.516 1.485 -10.136 246 HH22 ARG 36 2HH2 ARG 36 -11.002 0.452 -11.438 247 H VAL 37 H VAL 37 -4.287 -1.553 -6.915 248 HA VAL 37 HA VAL 37 -5.242 -1.213 -4.166 249 HB VAL 37 HB VAL 37 -2.716 -0.118 -5.409 250 HG11 VAL 37 1HG1 VAL 37 -2.224 -0.318 -2.768 251 HG12 VAL 37 2HG1 VAL 37 -2.849 1.141 -3.540 252 HG13 VAL 37 3HG1 VAL 37 -3.953 0.024 -2.737 253 HG21 VAL 37 3HG2 VAL 37 -1.871 -2.171 -5.313 254 HG22 VAL 37 1HG2 VAL 37 -2.124 -2.160 -3.567 255 HG23 VAL 37 2HG2 VAL 37 -3.374 -2.798 -4.636 256 H SER 38 H SER 38 -6.835 0.250 -4.057 257 HA SER 38 HA SER 38 -6.427 2.828 -5.428 258 HB2 SER 38 1HB SER 38 -9.044 1.464 -4.751 259 HB3 SER 38 2HB SER 38 -8.887 3.055 -5.493 260 HG SER 38 HG SER 38 -8.720 2.071 -7.329 261 H TRP 39 H TRP 39 -6.411 4.621 -4.215 262 HA TRP 39 HA TRP 39 -7.240 4.381 -1.396 263 HB2 TRP 39 1HB TRP 39 -5.453 6.059 -0.886 264 HB3 TRP 39 2HB TRP 39 -4.838 4.511 -1.459 265 HD1 TRP 39 HD TRP 39 -4.732 8.175 -2.192 266 HE1 TRP 39 1HE TRP 39 -3.341 8.604 -4.314 267 HE3 TRP 39 3HE TRP 39 -4.317 3.366 -3.876 268 HZ2 TRP 39 2HZ TRP 39 -2.217 7.103 -6.424 269 HZ3 TRP 39 3HZ TRP 39 -3.068 2.948 -5.954 270 HH2 TRP 39 HH TRP 39 -2.041 4.779 -7.201 271 H ALA 40 H ALA 40 -7.203 6.875 -0.517 272 HA ALA 40 HA ALA 40 -8.914 8.393 -2.377 273 HB1 ALA 40 3HB ALA 40 -10.191 7.322 -0.532 274 HB2 ALA 40 1HB ALA 40 -9.253 8.279 0.615 275 HB3 ALA 40 2HB ALA 40 -10.306 9.082 -0.550 276 H ASP 41 H ASP 41 -8.754 10.644 -2.328 277 HA ASP 41 HA ASP 41 -6.222 11.629 -1.251 278 HB2 ASP 41 1HB ASP 41 -6.690 13.621 -2.699 279 HB3 ASP 41 2HB ASP 41 -6.563 12.102 -3.583 280 H ASN 42 H ASN 42 -6.118 12.862 0.504 281 HA ASN 42 HA ASN 42 -8.563 14.246 1.393 282 HB2 ASN 42 1HB ASN 42 -7.636 12.144 2.717 283 HB3 ASN 42 2HB ASN 42 -6.538 13.343 3.394 284 HD21 ASN 42 1HD2 ASN 42 -9.711 12.084 3.375 285 HD22 ASN 42 2HD2 ASN 42 -10.382 13.139 4.568 286 H SER 43 H SER 43 -5.247 14.435 0.639 287 HA SER 43 HA SER 43 -4.756 16.867 2.133 288 HB2 SER 43 1HB SER 43 -2.535 16.808 1.044 289 HB3 SER 43 2HB SER 43 -2.923 15.278 1.830 290 HG SER 43 HG SER 43 -2.579 15.859 -0.845 291 H VAL 44 H VAL 44 -6.937 17.025 0.329 292 HA VAL 44 HA VAL 44 -6.337 19.449 -0.986 293 HB VAL 44 HB VAL 44 -5.240 17.801 -2.554 294 HG11 VAL 44 1HG1 VAL 44 -7.146 16.123 -2.244 295 HG12 VAL 44 2HG1 VAL 44 -8.031 17.105 -3.414 296 HG13 VAL 44 3HG1 VAL 44 -6.509 16.341 -3.874 297 HG21 VAL 44 3HG2 VAL 44 -6.739 18.797 -4.559 298 HG22 VAL 44 1HG2 VAL 44 -7.236 19.859 -3.241 299 HG23 VAL 44 2HG2 VAL 44 -5.533 19.737 -3.681 300 HA PRO 45 HA PRO 45 -10.727 19.471 -0.282 301 HB2 PRO 45 1HB PRO 45 -11.150 22.012 -1.139 302 HB3 PRO 45 2HB PRO 45 -10.439 21.635 0.435 303 HG2 PRO 45 1HG PRO 45 -9.085 22.437 -2.111 304 HG3 PRO 45 2HG PRO 45 -8.764 22.980 -0.454 305 HD2 PRO 45 1HD PRO 45 -7.247 21.111 -1.694 306 HD3 PRO 45 2HD PRO 45 -7.533 21.100 0.058 307 H LYS 46 H LYS 46 -12.701 20.004 -1.566 308 HA LYS 46 HA LYS 46 -12.399 18.973 -4.260 309 HB2 LYS 46 1HB LYS 46 -14.869 18.907 -4.258 310 HB3 LYS 46 2HB LYS 46 -14.175 18.058 -2.883 311 HG2 LYS 46 1HG LYS 46 -14.576 20.156 -1.541 312 HG3 LYS 46 2HG LYS 46 -15.522 20.743 -2.911 313 HD2 LYS 46 1HD LYS 46 -17.106 19.004 -2.686 314 HD3 LYS 46 2HD LYS 46 -16.062 18.093 -1.592 315 HE2 LYS 46 1HE LYS 46 -17.053 20.832 -0.879 316 HE3 LYS 46 2HE LYS 46 -18.047 19.403 -0.600 317 HZ1 LYS 46 3HZ LYS 46 -16.795 18.778 1.125 318 HZ2 LYS 46 1HZ LYS 46 -16.234 20.374 1.132 319 HZ3 LYS 46 2HZ LYS 46 -15.337 19.167 0.358 320 H ASN 47 H ASN 47 -13.460 21.937 -2.665 321 HA ASN 47 HA ASN 47 -14.214 23.234 -5.110 322 HB2 ASN 47 1HB ASN 47 -14.504 25.229 -3.724 323 HB3 ASN 47 2HB ASN 47 -15.253 23.832 -2.957 324 HD21 ASN 47 1HD2 ASN 47 -14.560 23.178 -0.997 325 HD22 ASN 47 2HD2 ASN 47 -13.310 23.962 -0.097 326 H GLN 48 H GLN 48 -11.701 22.247 -5.493 327 HA GLN 48 HA GLN 48 -10.282 24.487 -6.402 328 HB2 GLN 48 1HB GLN 48 -9.449 25.113 -4.369 329 HB3 GLN 48 2HB GLN 48 -9.571 23.492 -3.698 330 HG2 GLN 48 1HG GLN 48 -7.532 22.840 -4.549 331 HG3 GLN 48 2HG GLN 48 -7.548 24.070 -5.812 332 HE21 GLN 48 1HE2 GLN 48 -5.631 23.307 -3.598 333 HE22 GLN 48 2HE2 GLN 48 -5.273 24.806 -2.818 334 H LYS 49 H LYS 49 -8.435 23.930 -7.620 335 HA LYS 49 HA LYS 49 -8.231 21.049 -8.170 336 HB2 LYS 49 1HB LYS 49 -8.010 23.492 -9.854 337 HB3 LYS 49 2HB LYS 49 -7.002 22.118 -10.288 338 HG2 LYS 49 1HG LYS 49 -8.847 21.675 -11.545 339 HG3 LYS 49 2HG LYS 49 -9.270 20.804 -10.069 340 HD2 LYS 49 1HD LYS 49 -10.563 22.762 -9.315 341 HD3 LYS 49 2HD LYS 49 -10.175 23.582 -10.829 342 HE2 LYS 49 1HE LYS 49 -11.411 22.002 -12.098 343 HE3 LYS 49 2HE LYS 49 -11.572 20.918 -10.718 344 HZ1 LYS 49 3HZ LYS 49 -13.172 23.180 -11.456 345 HZ2 LYS 49 1HZ LYS 49 -12.678 23.236 -9.839 346 HZ3 LYS 49 2HZ LYS 49 -13.533 21.896 -10.415 347 H THR 50 H THR 50 -5.982 20.486 -9.151 348 HA THR 50 HA THR 50 -4.008 21.285 -7.157 349 HB THR 50 HB THR 50 -3.356 19.268 -9.249 350 HG1 THR 50 1HG THR 50 -4.494 17.711 -7.803 351 HG21 THR 50 3HG2 THR 50 -1.644 19.496 -7.705 352 HG22 THR 50 1HG2 THR 50 -2.549 18.136 -7.042 353 HG23 THR 50 2HG2 THR 50 -2.753 19.749 -6.358 354 H SER 51 H SER 51 -2.677 22.907 -7.592 355 HA SER 51 HA SER 51 -2.170 23.690 -10.348 356 HB2 SER 51 1HB SER 51 -2.725 25.371 -8.560 357 HB3 SER 51 2HB SER 51 -1.168 25.009 -7.816 358 HG SER 51 HG SER 51 -0.358 25.517 -10.074 359 H GLU 52 H GLU 52 -0.114 23.234 -7.464 360 HA GLU 52 HA GLU 52 2.288 23.018 -8.923 361 HB2 GLU 52 1HB GLU 52 1.478 22.311 -6.122 362 HB3 GLU 52 2HB GLU 52 3.070 21.866 -6.722 363 HG2 GLU 52 1HG GLU 52 3.577 23.871 -5.802 364 HG3 GLU 52 2HG GLU 52 3.123 24.415 -7.416 365 H VAL 53 H VAL 53 3.005 21.422 -10.155 366 HA VAL 53 HA VAL 53 1.689 19.076 -10.720 367 HB VAL 53 HB VAL 53 4.664 19.583 -10.867 368 HG11 VAL 53 1HG1 VAL 53 4.721 17.354 -11.207 369 HG12 VAL 53 2HG1 VAL 53 3.006 17.263 -11.614 370 HG13 VAL 53 3HG1 VAL 53 4.174 17.799 -12.823 371 HG21 VAL 53 3HG2 VAL 53 4.347 20.475 -12.960 372 HG22 VAL 53 1HG2 VAL 53 2.824 19.621 -13.212 373 HG23 VAL 53 2HG2 VAL 53 2.882 21.026 -12.147 374 H ARG 54 H ARG 54 1.520 17.103 -9.833 375 HA ARG 54 HA ARG 54 3.320 16.389 -7.626 376 HB2 ARG 54 1HB ARG 54 1.246 15.346 -6.523 377 HB3 ARG 54 2HB ARG 54 1.440 17.091 -6.419 378 HG2 ARG 54 1HG ARG 54 -0.816 16.757 -6.930 379 HG3 ARG 54 2HG ARG 54 -0.070 17.224 -8.459 380 HD2 ARG 54 1HD ARG 54 -0.004 14.930 -9.185 381 HD3 ARG 54 2HD ARG 54 -0.576 14.377 -7.612 382 HE ARG 54 HE ARG 54 -2.171 15.302 -9.767 383 HH11 ARG 54 1HH1 ARG 54 -1.948 15.314 -6.293 384 HH12 ARG 54 2HH1 ARG 54 -3.656 15.476 -6.053 385 HH21 ARG 54 1HH2 ARG 54 -4.422 15.515 -9.465 386 HH22 ARG 54 2HH2 ARG 54 -5.063 15.590 -7.858 387 H LEU 55 H LEU 55 3.074 14.018 -7.045 388 HA LEU 55 HA LEU 55 2.168 12.323 -9.227 389 HB2 LEU 55 1HB LEU 55 4.330 12.662 -10.032 390 HB3 LEU 55 2HB LEU 55 5.032 12.651 -8.416 391 HG LEU 55 HG LEU 55 4.239 10.139 -8.449 392 HD11 LEU 55 1HD1 LEU 55 3.286 10.753 -10.859 393 HD12 LEU 55 2HD1 LEU 55 3.898 9.149 -10.459 394 HD13 LEU 55 3HD1 LEU 55 4.924 10.293 -11.324 395 HD21 LEU 55 3HD2 LEU 55 6.668 11.178 -9.905 396 HD22 LEU 55 1HD2 LEU 55 6.453 9.522 -9.339 397 HD23 LEU 55 2HD2 LEU 55 6.537 10.846 -8.177 398 H TYR 56 H TYR 56 1.893 10.142 -8.640 399 HA TYR 56 HA TYR 56 2.102 9.620 -5.747 400 HB2 TYR 56 1HB TYR 56 -0.098 8.961 -7.690 401 HB3 TYR 56 2HB TYR 56 0.094 8.061 -6.190 402 HD1 TYR 56 1HD TYR 56 0.287 11.690 -7.087 403 HD2 TYR 56 2HD TYR 56 -1.472 8.697 -4.627 404 HE1 TYR 56 1HE TYR 56 -0.980 13.426 -5.891 405 HE2 TYR 56 2HE TYR 56 -2.744 10.425 -3.426 406 HH TYR 56 HH TYR 56 -3.399 12.596 -3.472 407 H THR 57 H THR 57 3.498 8.067 -5.292 408 HA THR 57 HA THR 57 4.169 6.091 -7.352 409 HB THR 57 HB THR 57 5.616 6.638 -4.755 410 HG1 THR 57 1HG THR 57 5.938 8.449 -5.941 411 HG21 THR 57 3HG2 THR 57 5.907 4.390 -5.898 412 HG22 THR 57 1HG2 THR 57 7.381 5.318 -5.623 413 HG23 THR 57 2HG2 THR 57 6.655 5.272 -7.229 414 H VAL 58 H VAL 58 4.223 3.865 -6.898 415 HA VAL 58 HA VAL 58 2.838 3.020 -4.444 416 HB VAL 58 HB VAL 58 2.312 1.772 -7.138 417 HG11 VAL 58 1HG1 VAL 58 1.932 0.695 -4.713 418 HG12 VAL 58 2HG1 VAL 58 0.410 1.571 -4.886 419 HG13 VAL 58 3HG1 VAL 58 0.879 0.370 -6.089 420 HG21 VAL 58 3HG2 VAL 58 0.823 3.345 -7.638 421 HG22 VAL 58 1HG2 VAL 58 0.066 3.202 -6.052 422 HG23 VAL 58 2HG2 VAL 58 1.437 4.289 -6.281 423 H ARG 59 H ARG 59 3.898 1.492 -3.369 424 HA ARG 59 HA ARG 59 5.845 -0.161 -4.841 425 HB2 ARG 59 1HB ARG 59 7.374 -0.031 -3.070 426 HB3 ARG 59 2HB ARG 59 6.759 1.610 -3.220 427 HG2 ARG 59 1HG ARG 59 5.158 1.090 -1.372 428 HG3 ARG 59 2HG ARG 59 6.003 -0.444 -1.159 429 HD2 ARG 59 1HD ARG 59 7.994 0.623 -0.505 430 HD3 ARG 59 2HD ARG 59 7.448 2.188 -1.107 431 HE ARG 59 HE ARG 59 6.446 2.544 0.909 432 HH11 ARG 59 1HH1 ARG 59 6.950 -0.877 0.512 433 HH12 ARG 59 2HH1 ARG 59 6.403 -1.275 2.107 434 HH21 ARG 59 1HH2 ARG 59 5.724 2.033 3.011 435 HH22 ARG 59 2HH2 ARG 59 5.705 0.381 3.527 436 H TRP 60 H TRP 60 6.154 -2.312 -4.094 437 HA TRP 60 HA TRP 60 4.554 -3.423 -2.007 438 HB2 TRP 60 1HB TRP 60 3.145 -4.870 -3.415 439 HB3 TRP 60 2HB TRP 60 2.796 -3.165 -3.687 440 HD1 TRP 60 HD TRP 60 4.100 -6.267 -5.437 441 HE1 TRP 60 1HE TRP 60 4.365 -5.769 -7.949 442 HE3 TRP 60 3HE TRP 60 3.331 -1.214 -5.347 443 HZ2 TRP 60 2HZ TRP 60 4.262 -3.529 -9.664 444 HZ3 TRP 60 3HZ TRP 60 3.432 0.032 -7.467 445 HH2 TRP 60 HH TRP 60 3.888 -1.103 -9.579 446 H ARG 61 H ARG 61 5.485 -5.239 -1.278 447 HA ARG 61 HA ARG 61 6.842 -7.095 -2.971 448 HB2 ARG 61 1HB ARG 61 8.640 -5.548 -2.976 449 HB3 ARG 61 2HB ARG 61 8.455 -5.213 -1.260 450 HG2 ARG 61 1HG ARG 61 10.386 -6.550 -1.492 451 HG3 ARG 61 2HG ARG 61 9.127 -7.594 -0.829 452 HD2 ARG 61 1HD ARG 61 8.699 -8.092 -3.392 453 HD3 ARG 61 2HD ARG 61 10.388 -7.601 -3.522 454 HE ARG 61 HE ARG 61 10.322 -9.423 -1.473 455 HH11 ARG 61 1HH1 ARG 61 9.436 -9.410 -4.839 456 HH12 ARG 61 2HH1 ARG 61 9.760 -11.097 -5.065 457 HH21 ARG 61 1HH2 ARG 61 10.752 -11.645 -1.757 458 HH22 ARG 61 2HH2 ARG 61 10.507 -12.368 -3.311 459 H THR 62 H THR 62 7.678 -8.941 -1.784 460 HA THR 62 HA THR 62 6.090 -10.158 -0.052 461 HB THR 62 HB THR 62 8.147 -11.236 1.027 462 HG1 THR 62 1HG THR 62 10.127 -10.707 0.066 463 HG21 THR 62 3HG2 THR 62 8.725 -12.449 -1.018 464 HG22 THR 62 1HG2 THR 62 7.948 -11.198 -1.987 465 HG23 THR 62 2HG2 THR 62 6.983 -12.199 -0.903 466 H SER 63 H SER 63 5.449 -10.085 2.030 467 HA SER 63 HA SER 63 6.218 -7.766 3.588 468 HB2 SER 63 1HB SER 63 3.828 -8.817 3.290 469 HB3 SER 63 2HB SER 63 4.346 -9.877 4.601 470 HG SER 63 HG SER 63 4.066 -8.291 5.939 471 H PHE 64 H PHE 64 7.340 -7.759 5.478 472 HA PHE 64 HA PHE 64 8.769 -8.451 7.106 473 HB2 PHE 64 1HB PHE 64 7.488 -11.172 6.818 474 HB3 PHE 64 2HB PHE 64 8.335 -10.534 8.224 475 HD1 PHE 64 2HD PHE 64 7.311 -8.574 9.453 476 HD2 PHE 64 1HD PHE 64 5.192 -10.857 6.552 477 HE1 PHE 64 2HE PHE 64 5.180 -7.740 10.357 478 HE2 PHE 64 1HE PHE 64 3.058 -10.026 7.451 479 HZ PHE 64 HZ PHE 64 3.050 -8.466 9.357 480 H SER 65 H SER 65 9.396 -8.765 4.217 481 HA SER 65 HA SER 65 11.465 -10.853 4.434 482 HB2 SER 65 1HB SER 65 9.793 -9.922 2.130 483 HB3 SER 65 2HB SER 65 11.403 -10.569 1.815 484 HG SER 65 HG SER 65 9.499 -11.938 3.397 485 H ALA 66 H ALA 66 12.853 -9.319 5.493 486 HA ALA 66 HA ALA 66 13.637 -6.842 4.814 487 HB1 ALA 66 3HB ALA 66 15.919 -8.664 5.217 488 HB2 ALA 66 1HB ALA 66 15.471 -7.192 6.079 489 HB3 ALA 66 2HB ALA 66 14.660 -8.714 6.451 490 H SER 67 H SER 67 15.495 -9.601 3.533 491 HA SER 67 HA SER 67 16.567 -8.034 1.401 492 HB2 SER 67 1HB SER 67 16.683 -10.966 2.089 493 HB3 SER 67 2HB SER 67 17.399 -10.334 0.607 494 HG SER 67 HG SER 67 18.263 -10.132 3.203 495 H ALA 68 H ALA 68 15.116 -7.305 -0.056 496 HA ALA 68 HA ALA 68 14.105 -9.057 -2.018 497 HB1 ALA 68 3HB ALA 68 12.377 -8.599 0.261 498 HB2 ALA 68 1HB ALA 68 11.628 -8.084 -1.250 499 HB3 ALA 68 2HB ALA 68 12.209 -9.740 -1.073 500 H LYS 69 H LYS 69 14.042 -7.909 -3.832 501 HA LYS 69 HA LYS 69 14.384 -5.094 -3.834 502 HB2 LYS 69 1HB LYS 69 13.946 -7.169 -5.951 503 HB3 LYS 69 2HB LYS 69 13.853 -5.464 -6.372 504 HG2 LYS 69 1HG LYS 69 16.225 -6.581 -4.924 505 HG3 LYS 69 2HG LYS 69 16.087 -6.671 -6.682 506 HD2 LYS 69 1HD LYS 69 15.986 -4.289 -6.864 507 HD3 LYS 69 2HD LYS 69 15.852 -4.107 -5.113 508 HE2 LYS 69 1HE LYS 69 18.090 -3.604 -5.599 509 HE3 LYS 69 2HE LYS 69 18.123 -5.258 -4.989 510 HZ1 LYS 69 3HZ LYS 69 17.759 -5.232 -7.802 511 HZ2 LYS 69 1HZ LYS 69 18.984 -5.961 -6.890 512 HZ3 LYS 69 2HZ LYS 69 19.142 -4.351 -7.383 513 H TYR 70 H TYR 70 12.841 -3.685 -3.350 514 HA TYR 70 HA TYR 70 10.047 -4.343 -3.666 515 HB2 TYR 70 1HB TYR 70 11.606 -2.160 -2.388 516 HB3 TYR 70 2HB TYR 70 9.970 -1.772 -2.909 517 HD1 TYR 70 2HD TYR 70 11.514 -4.788 -1.322 518 HD2 TYR 70 1HD TYR 70 8.534 -1.759 -1.107 519 HE1 TYR 70 2HE TYR 70 10.623 -5.817 0.726 520 HE2 TYR 70 1HE TYR 70 7.636 -2.779 0.943 521 HH TYR 70 HH TYR 70 8.789 -5.869 2.114 522 H LYS 71 H LYS 71 8.618 -3.489 -5.110 523 HA LYS 71 HA LYS 71 9.758 -2.299 -7.496 524 HB2 LYS 71 1HB LYS 71 8.058 -4.164 -7.538 525 HB3 LYS 71 2HB LYS 71 6.868 -3.000 -6.969 526 HG2 LYS 71 1HG LYS 71 6.855 -1.837 -8.961 527 HG3 LYS 71 2HG LYS 71 8.452 -2.422 -9.433 528 HD2 LYS 71 1HD LYS 71 6.268 -4.414 -9.109 529 HD3 LYS 71 2HD LYS 71 6.236 -3.370 -10.532 530 HE2 LYS 71 1HE LYS 71 8.707 -4.065 -10.810 531 HE3 LYS 71 2HE LYS 71 8.302 -5.379 -9.706 532 HZ1 LYS 71 3HZ LYS 71 6.359 -5.750 -11.354 533 HZ2 LYS 71 1HZ LYS 71 7.903 -6.318 -11.748 534 HZ3 LYS 71 2HZ LYS 71 7.327 -4.884 -12.436 535 H SER 72 H SER 72 8.557 -0.482 -8.565 536 HA SER 72 HA SER 72 7.076 1.323 -6.892 537 HB2 SER 72 1HB SER 72 8.747 3.193 -7.133 538 HB3 SER 72 2HB SER 72 9.251 1.898 -6.048 539 HG SER 72 HG SER 72 10.015 2.111 -8.773 540 H GLU 73 H GLU 73 5.638 2.266 -8.168 541 HA GLU 73 HA GLU 73 6.377 2.808 -10.968 542 HB2 GLU 73 1HB GLU 73 4.022 1.390 -9.848 543 HB3 GLU 73 2HB GLU 73 3.720 2.480 -11.194 544 HG2 GLU 73 1HG GLU 73 5.558 0.102 -11.149 545 HG3 GLU 73 2HG GLU 73 4.058 0.285 -12.058 546 H ASP 74 H ASP 74 5.575 4.688 -11.891 547 HA ASP 74 HA ASP 74 4.589 6.666 -9.959 548 HB2 ASP 74 1HB ASP 74 5.441 8.363 -11.458 549 HB3 ASP 74 2HB ASP 74 6.703 7.166 -11.176 550 H THR 75 H THR 75 2.489 7.070 -9.982 551 HA THR 75 HA THR 75 1.093 7.203 -12.559 552 HB THR 75 HB THR 75 0.639 4.981 -11.502 553 HG1 THR 75 1HG THR 75 -1.496 5.096 -12.039 554 HG21 THR 75 3HG2 THR 75 0.049 4.783 -9.360 555 HG22 THR 75 1HG2 THR 75 -1.257 5.951 -9.556 556 HG23 THR 75 2HG2 THR 75 0.373 6.506 -9.173 557 H THR 76 H THR 76 -0.705 8.592 -12.608 558 HA THR 76 HA THR 76 -0.718 10.570 -10.438 559 HB THR 76 HB THR 76 -1.936 12.013 -12.118 560 HG1 THR 76 1HG THR 76 -2.643 10.433 -13.563 561 HG21 THR 76 3HG2 THR 76 0.702 11.193 -13.265 562 HG22 THR 76 1HG2 THR 76 0.630 11.891 -11.648 563 HG23 THR 76 2HG2 THR 76 0.036 12.809 -13.031 564 H SER 77 H SER 77 -2.328 7.883 -11.080 565 HA SER 77 HA SER 77 -4.996 8.980 -10.520 566 HB2 SER 77 1HB SER 77 -4.157 6.243 -11.504 567 HB3 SER 77 2HB SER 77 -5.819 6.710 -11.148 568 HG SER 77 HG SER 77 -4.349 8.328 -12.884 569 H LEU 78 H LEU 78 -6.360 7.634 -9.027 570 HA LEU 78 HA LEU 78 -4.792 7.026 -6.634 571 HB2 LEU 78 1HB LEU 78 -7.779 7.296 -6.910 572 HB3 LEU 78 2HB LEU 78 -6.852 7.242 -5.412 573 HG LEU 78 HG LEU 78 -6.396 9.447 -7.384 574 HD11 LEU 78 1HD1 LEU 78 -8.750 9.546 -7.127 575 HD12 LEU 78 2HD1 LEU 78 -8.070 10.767 -6.052 576 HD13 LEU 78 3HD1 LEU 78 -8.643 9.235 -5.394 577 HD21 LEU 78 3HD2 LEU 78 -5.576 10.624 -5.518 578 HD22 LEU 78 1HD2 LEU 78 -4.928 8.991 -5.360 579 HD23 LEU 78 2HD2 LEU 78 -6.306 9.492 -4.379 580 H SER 79 H SER 79 -4.966 5.177 -8.908 581 HA SER 79 HA SER 79 -5.611 2.803 -7.406 582 HB2 SER 79 1HB SER 79 -7.254 1.903 -8.928 583 HB3 SER 79 2HB SER 79 -7.811 3.489 -8.396 584 HG SER 79 HG SER 79 -8.063 3.531 -10.557 585 H TYR 80 H TYR 80 -4.227 1.231 -7.922 586 HA TYR 80 HA TYR 80 -3.002 1.221 -10.587 587 HB2 TYR 80 1HB TYR 80 -1.400 2.370 -9.188 588 HB3 TYR 80 2HB TYR 80 -1.507 1.113 -7.961 589 HD1 TYR 80 2HD TYR 80 -0.696 -1.223 -8.572 590 HD2 TYR 80 1HD TYR 80 0.156 2.209 -10.937 591 HE1 TYR 80 2HE TYR 80 1.167 -2.426 -9.635 592 HE2 TYR 80 1HE TYR 80 2.020 1.016 -12.008 593 HH TYR 80 HH TYR 80 2.493 -2.360 -11.643 594 H THR 81 H THR 81 -2.559 -0.777 -11.408 595 HA THR 81 HA THR 81 -3.495 -3.057 -9.807 596 HB THR 81 HB THR 81 -3.075 -3.023 -12.796 597 HG1 THR 81 1HG THR 81 -5.198 -2.084 -11.228 598 HG21 THR 81 3HG2 THR 81 -3.205 -5.245 -12.024 599 HG22 THR 81 1HG2 THR 81 -4.829 -4.869 -12.598 600 HG23 THR 81 2HG2 THR 81 -4.479 -4.858 -10.869 601 H ALA 82 H ALA 82 -2.016 -4.373 -8.991 602 HA ALA 82 HA ALA 82 0.705 -4.323 -10.041 603 HB1 ALA 82 3HB ALA 82 -0.228 -5.868 -7.641 604 HB2 ALA 82 1HB ALA 82 1.395 -5.288 -8.016 605 HB3 ALA 82 2HB ALA 82 0.130 -4.143 -7.565 606 H THR 83 H THR 83 0.733 -5.547 -11.875 607 HA THR 83 HA THR 83 -0.381 -8.253 -11.782 608 HB THR 83 HB THR 83 -0.124 -8.327 -14.171 609 HG1 THR 83 1HG THR 83 1.214 -7.038 -15.223 610 HG21 THR 83 3HG2 THR 83 -1.928 -6.811 -12.994 611 HG22 THR 83 1HG2 THR 83 -1.762 -6.820 -14.749 612 HG23 THR 83 2HG2 THR 83 -1.047 -5.515 -13.802 613 H GLY 84 H GLY 84 0.882 -10.071 -12.517 614 HA2 GLY 84 1HA GLY 84 2.793 -11.348 -12.697 615 HA3 GLY 84 2HA GLY 84 3.711 -9.859 -12.867 616 H LEU 85 H LEU 85 1.715 -11.226 -10.249 617 HA LEU 85 HA LEU 85 3.975 -10.747 -8.425 618 HB2 LEU 85 1HB LEU 85 1.162 -11.193 -7.515 619 HB3 LEU 85 2HB LEU 85 2.477 -10.355 -6.694 620 HG LEU 85 HG LEU 85 1.301 -9.218 -9.201 621 HD11 LEU 85 1HD1 LEU 85 -0.038 -7.838 -7.359 622 HD12 LEU 85 2HD1 LEU 85 0.032 -9.393 -6.533 623 HD13 LEU 85 3HD1 LEU 85 -0.697 -9.278 -8.134 624 HD21 LEU 85 3HD2 LEU 85 2.675 -7.540 -8.733 625 HD22 LEU 85 1HD2 LEU 85 3.309 -8.466 -7.372 626 HD23 LEU 85 2HD2 LEU 85 1.958 -7.358 -7.131 627 H LYS 86 H LYS 86 3.486 -12.258 -6.322 628 HA LYS 86 HA LYS 86 3.699 -14.979 -7.378 629 HB2 LYS 86 1HB LYS 86 5.408 -13.821 -5.777 630 HB3 LYS 86 2HB LYS 86 4.242 -14.230 -4.525 631 HG2 LYS 86 1HG LYS 86 4.523 -16.527 -4.849 632 HG3 LYS 86 2HG LYS 86 5.293 -16.300 -6.421 633 HD2 LYS 86 1HD LYS 86 7.137 -16.730 -5.137 634 HD3 LYS 86 2HD LYS 86 7.060 -14.974 -4.976 635 HE2 LYS 86 1HE LYS 86 6.357 -15.067 -2.804 636 HE3 LYS 86 2HE LYS 86 5.546 -16.618 -3.019 637 HZ1 LYS 86 3HZ LYS 86 7.965 -17.473 -3.315 638 HZ2 LYS 86 1HZ LYS 86 7.352 -17.204 -1.761 639 HZ3 LYS 86 2HZ LYS 86 8.379 -16.065 -2.473 640 HA PRO 87 HA PRO 87 -0.372 -15.928 -5.915 641 HB2 PRO 87 1HB PRO 87 -0.215 -18.622 -6.218 642 HB3 PRO 87 2HB PRO 87 -0.423 -17.513 -7.578 643 HG2 PRO 87 1HG PRO 87 2.069 -18.835 -6.576 644 HG3 PRO 87 2HG PRO 87 1.513 -18.615 -8.245 645 HD2 PRO 87 1HD PRO 87 3.391 -17.026 -7.114 646 HD3 PRO 87 2HD PRO 87 2.248 -16.432 -8.335 647 H ASN 88 H ASN 88 -1.310 -16.562 -4.020 648 HA ASN 88 HA ASN 88 -1.495 -17.167 -1.836 649 HB2 ASN 88 1HB ASN 88 -0.610 -19.366 -2.998 650 HB3 ASN 88 2HB ASN 88 0.842 -19.019 -2.064 651 HD21 ASN 88 1HD2 ASN 88 -2.594 -19.670 -1.864 652 HD22 ASN 88 2HD2 ASN 88 -2.583 -20.237 -0.232 653 H THR 89 H THR 89 0.415 -15.061 -2.720 654 HA THR 89 HA THR 89 1.992 -14.946 -0.239 655 HB THR 89 HB THR 89 3.040 -13.796 -2.814 656 HG1 THR 89 1HG THR 89 3.261 -16.440 -1.818 657 HG21 THR 89 3HG2 THR 89 5.177 -13.901 -1.653 658 HG22 THR 89 1HG2 THR 89 4.408 -14.675 -0.268 659 HG23 THR 89 2HG2 THR 89 4.003 -13.010 -0.685 660 H MET 90 H MET 90 1.691 -13.140 0.899 661 HA MET 90 HA MET 90 0.201 -10.949 -0.355 662 HB2 MET 90 1HB MET 90 -0.810 -11.881 1.651 663 HB3 MET 90 2HB MET 90 0.673 -11.613 2.556 664 HG2 MET 90 1HG MET 90 0.392 -9.168 2.135 665 HG3 MET 90 2HG MET 90 -1.187 -9.532 1.441 666 HE1 MET 90 3HE MET 90 1.101 -10.157 4.420 667 HE2 MET 90 1HE MET 90 0.024 -10.264 5.813 668 HE3 MET 90 2HE MET 90 0.131 -11.609 4.677 669 H TYR 91 H TYR 91 0.829 -8.764 -0.027 670 HA TYR 91 HA TYR 91 3.586 -8.343 0.882 671 HB2 TYR 91 1HB TYR 91 2.736 -6.828 -1.526 672 HB3 TYR 91 2HB TYR 91 4.329 -7.423 -1.074 673 HD1 TYR 91 1HD TYR 91 4.299 -10.178 -0.933 674 HD2 TYR 91 2HD TYR 91 1.904 -7.737 -3.465 675 HE1 TYR 91 1HE TYR 91 4.043 -12.060 -2.495 676 HE2 TYR 91 2HE TYR 91 1.641 -9.613 -5.033 677 HH TYR 91 HH TYR 91 1.938 -12.544 -4.463 678 H GLU 92 H GLU 92 4.041 -5.857 0.849 679 HA GLU 92 HA GLU 92 1.779 -4.598 2.228 680 HB2 GLU 92 1HB GLU 92 3.506 -4.409 3.712 681 HB3 GLU 92 2HB GLU 92 4.731 -4.402 2.451 682 HG2 GLU 92 1HG GLU 92 4.576 -2.140 2.117 683 HG3 GLU 92 2HG GLU 92 2.921 -2.055 2.717 684 H PHE 93 H PHE 93 0.693 -2.993 1.308 685 HA PHE 93 HA PHE 93 1.893 -1.655 -1.025 686 HB2 PHE 93 1HB PHE 93 -1.003 -2.202 -0.356 687 HB3 PHE 93 2HB PHE 93 -0.486 -1.170 -1.686 688 HD1 PHE 93 2HD PHE 93 -0.241 -4.624 -0.359 689 HD2 PHE 93 1HD PHE 93 0.047 -2.083 -3.761 690 HE1 PHE 93 2HE PHE 93 -0.064 -6.599 -1.815 691 HE2 PHE 93 1HE PHE 93 0.223 -4.054 -5.223 692 HZ PHE 93 HZ PHE 93 0.169 -6.316 -4.250 693 H SER 94 H SER 94 1.992 0.533 -1.102 694 HA SER 94 HA SER 94 0.537 2.162 0.798 695 HB2 SER 94 1HB SER 94 2.834 1.275 1.789 696 HB3 SER 94 2HB SER 94 3.493 2.595 0.823 697 HG SER 94 HG SER 94 1.411 2.864 2.735 698 H VAL 95 H VAL 95 0.427 4.332 0.212 699 HA VAL 95 HA VAL 95 1.579 4.969 -2.427 700 HB VAL 95 HB VAL 95 -1.004 6.025 -1.268 701 HG11 VAL 95 1HG1 VAL 95 0.062 6.295 -4.073 702 HG12 VAL 95 2HG1 VAL 95 -1.358 7.079 -3.377 703 HG13 VAL 95 3HG1 VAL 95 0.257 7.529 -2.828 704 HG21 VAL 95 3HG2 VAL 95 -0.914 3.561 -1.962 705 HG22 VAL 95 1HG2 VAL 95 -2.186 4.562 -2.661 706 HG23 VAL 95 2HG2 VAL 95 -0.754 4.164 -3.611 707 H MET 96 H MET 96 2.434 7.010 -2.763 708 HA MET 96 HA MET 96 2.488 8.868 -0.503 709 HB2 MET 96 1HB MET 96 4.932 9.174 -0.762 710 HB3 MET 96 2HB MET 96 4.503 7.558 -0.217 711 HG2 MET 96 1HG MET 96 6.052 7.045 -1.797 712 HG3 MET 96 2HG MET 96 4.593 7.022 -2.785 713 HE1 MET 96 3HE MET 96 6.899 10.097 -1.446 714 HE2 MET 96 1HE MET 96 7.856 8.672 -1.854 715 HE3 MET 96 2HE MET 96 7.964 10.122 -2.853 716 H VAL 97 H VAL 97 3.554 10.982 -1.172 717 HA VAL 97 HA VAL 97 3.033 11.554 -4.014 718 HB VAL 97 HB VAL 97 1.139 12.411 -2.794 719 HG11 VAL 97 1HG1 VAL 97 3.195 13.745 -1.045 720 HG12 VAL 97 2HG1 VAL 97 1.484 14.177 -1.045 721 HG13 VAL 97 3HG1 VAL 97 1.985 12.553 -0.573 722 HG21 VAL 97 3HG2 VAL 97 1.836 13.790 -4.619 723 HG22 VAL 97 1HG2 VAL 97 1.375 14.851 -3.287 724 HG23 VAL 97 2HG2 VAL 97 3.080 14.559 -3.633 725 H THR 98 H THR 98 4.423 12.949 -5.013 726 HA THR 98 HA THR 98 6.615 14.043 -3.374 727 HB THR 98 HB THR 98 6.821 12.817 -6.131 728 HG1 THR 98 1HG THR 98 6.951 11.714 -3.764 729 HG21 THR 98 3HG2 THR 98 9.332 13.434 -4.856 730 HG22 THR 98 1HG2 THR 98 8.357 14.890 -5.044 731 HG23 THR 98 2HG2 THR 98 8.744 13.900 -6.451 732 H LYS 99 H LYS 99 5.898 16.134 -3.274 733 HA LYS 99 HA LYS 99 5.723 17.559 -5.846 734 HB2 LYS 99 1HB LYS 99 3.502 17.363 -4.771 735 HB3 LYS 99 2HB LYS 99 4.139 18.167 -3.342 736 HG2 LYS 99 1HG LYS 99 4.279 20.218 -4.396 737 HG3 LYS 99 2HG LYS 99 4.302 19.502 -6.009 738 HD2 LYS 99 1HD LYS 99 2.150 20.256 -5.977 739 HD3 LYS 99 2HD LYS 99 1.898 18.664 -5.258 740 HE2 LYS 99 1HE LYS 99 0.728 20.359 -3.977 741 HE3 LYS 99 2HE LYS 99 2.039 19.671 -3.021 742 HZ1 LYS 99 3HZ LYS 99 2.761 21.727 -2.707 743 HZ2 LYS 99 1HZ LYS 99 1.613 22.364 -3.773 744 HZ3 LYS 99 2HZ LYS 99 3.110 21.840 -4.358 745 H ASN 100 H ASN 100 6.259 19.878 -5.694 746 HA ASN 100 HA ASN 100 7.662 21.582 -5.143 747 HB2 ASN 100 1HB ASN 100 7.049 20.360 -2.497 748 HB3 ASN 100 2HB ASN 100 8.392 21.496 -2.577 749 HD21 ASN 100 1HD2 ASN 100 7.969 23.639 -3.310 750 HD22 ASN 100 2HD2 ASN 100 6.393 24.325 -3.135 751 H ARG 101 H ARG 101 8.699 19.056 -6.131 752 HA ARG 101 HA ARG 101 10.703 18.082 -6.585 753 HB2 ARG 101 1HB ARG 101 11.577 20.689 -5.381 754 HB3 ARG 101 2HB ARG 101 12.766 19.467 -5.810 755 HG2 ARG 101 1HG ARG 101 10.870 20.925 -7.622 756 HG3 ARG 101 2HG ARG 101 12.634 20.940 -7.642 757 HD2 ARG 101 1HD ARG 101 12.420 18.404 -8.078 758 HD3 ARG 101 2HD ARG 101 10.752 18.777 -8.512 759 HE ARG 101 HE ARG 101 12.531 20.492 -9.885 760 HH11 ARG 101 1HH1 ARG 101 11.390 17.203 -9.838 761 HH12 ARG 101 2HH1 ARG 101 11.678 16.941 -11.526 762 HH21 ARG 101 1HH2 ARG 101 12.916 20.159 -12.109 763 HH22 ARG 101 2HH2 ARG 101 12.547 18.623 -12.817 764 H ARG 102 H ARG 102 9.288 17.437 -4.138 765 HA ARG 102 HA ARG 102 11.466 16.099 -2.763 766 HB2 ARG 102 1HB ARG 102 11.056 16.939 -0.616 767 HB3 ARG 102 2HB ARG 102 11.011 18.366 -1.641 768 HG2 ARG 102 1HG ARG 102 8.674 18.522 -1.511 769 HG3 ARG 102 2HG ARG 102 8.519 16.882 -0.880 770 HD2 ARG 102 1HD ARG 102 8.275 18.044 1.063 771 HD3 ARG 102 2HD ARG 102 10.031 17.880 1.051 772 HE ARG 102 HE ARG 102 9.441 20.233 -0.285 773 HH11 ARG 102 1HH1 ARG 102 9.023 18.909 2.908 774 HH12 ARG 102 2HH1 ARG 102 9.096 20.449 3.698 775 HH21 ARG 102 1HH2 ARG 102 9.539 22.266 0.744 776 HH22 ARG 102 2HH2 ARG 102 9.389 22.358 2.466 777 H SER 103 H SER 103 10.790 14.299 -1.519 778 HA SER 103 HA SER 103 8.139 13.312 -2.295 779 HB2 SER 103 1HB SER 103 9.122 11.077 -1.521 780 HB3 SER 103 2HB SER 103 9.818 11.787 -2.978 781 HG SER 103 HG SER 103 10.973 12.429 -0.516 782 H SER 104 H SER 104 6.670 12.544 -0.811 783 HA SER 104 HA SER 104 7.114 13.430 1.943 784 HB2 SER 104 1HB SER 104 4.729 13.392 2.204 785 HB3 SER 104 2HB SER 104 5.070 14.165 0.656 786 HG SER 104 HG SER 104 4.046 11.594 1.173 787 H THR 105 H THR 105 5.519 11.924 3.437 788 HA THR 105 HA THR 105 6.910 9.386 3.500 789 HB THR 105 HB THR 105 6.459 10.768 5.564 790 HG1 THR 105 1HG THR 105 5.252 8.269 5.959 791 HG21 THR 105 3HG2 THR 105 4.082 11.290 4.919 792 HG22 THR 105 1HG2 THR 105 4.299 10.730 6.576 793 HG23 THR 105 2HG2 THR 105 3.675 9.629 5.348 794 H TRP 106 H TRP 106 5.765 7.346 3.795 795 HA TRP 106 HA TRP 106 3.622 7.089 1.880 796 HB2 TRP 106 1HB TRP 106 4.907 4.968 3.614 797 HB3 TRP 106 2HB TRP 106 3.873 4.688 2.216 798 HD1 TRP 106 HD TRP 106 7.398 5.932 3.117 799 HE1 TRP 106 1HE TRP 106 8.889 5.726 1.029 800 HE3 TRP 106 3HE TRP 106 3.839 4.572 -0.291 801 HZ2 TRP 106 2HZ TRP 106 8.595 5.073 -1.701 802 HZ3 TRP 106 3HZ TRP 106 4.526 4.176 -2.620 803 HH2 TRP 106 HH TRP 106 6.856 4.422 -3.309 804 H SER 107 H SER 107 1.514 6.595 2.271 805 HA SER 107 HA SER 107 0.514 7.152 4.912 806 HB2 SER 107 1HB SER 107 -0.725 8.018 3.029 807 HB3 SER 107 2HB SER 107 -0.885 6.405 2.335 808 HG SER 107 HG SER 107 -2.517 6.038 3.606 809 H MET 108 H MET 108 -1.446 5.660 5.594 810 HA MET 108 HA MET 108 -0.519 3.379 6.716 811 HB2 MET 108 1HB MET 108 -2.897 2.555 6.716 812 HB3 MET 108 2HB MET 108 -2.675 4.186 7.335 813 HG2 MET 108 1HG MET 108 -3.548 5.154 5.363 814 HG3 MET 108 2HG MET 108 -3.490 3.617 4.503 815 HE1 MET 108 3HE MET 108 -4.445 1.577 5.565 816 HE2 MET 108 1HE MET 108 -5.927 1.489 6.517 817 HE3 MET 108 2HE MET 108 -6.011 1.784 4.781 818 H THR 109 H THR 109 -0.452 1.183 6.230 819 HA THR 109 HA THR 109 -0.295 0.591 3.368 820 HB THR 109 HB THR 109 0.831 -0.765 5.805 821 HG1 THR 109 1HG THR 109 2.134 -0.039 3.391 822 HG21 THR 109 3HG2 THR 109 1.654 -2.561 4.368 823 HG22 THR 109 1HG2 THR 109 0.785 -1.876 2.996 824 HG23 THR 109 2HG2 THR 109 -0.109 -2.523 4.372 825 H ALA 110 H ALA 110 -1.343 -1.173 2.429 826 HA ALA 110 HA ALA 110 -3.586 -2.259 4.004 827 HB1 ALA 110 3HB ALA 110 -4.941 -2.272 2.067 828 HB2 ALA 110 1HB ALA 110 -4.160 -0.691 2.109 829 HB3 ALA 110 2HB ALA 110 -3.566 -1.939 1.014 830 H HIS 111 H HIS 111 -3.524 -4.371 4.366 831 HA HIS 111 HA HIS 111 -1.632 -6.027 2.904 832 HB2 HIS 111 1HB HIS 111 -3.223 -6.355 5.423 833 HB3 HIS 111 2HB HIS 111 -2.560 -7.775 4.620 834 HD1 HIS 111 1HD HIS 111 0.119 -6.185 3.752 835 HD2 HIS 111 2HD HIS 111 -1.458 -6.585 7.575 836 HE1 HIS 111 1HE HIS 111 2.057 -5.845 5.318 837 HE2 HIS 111 2HE HIS 111 1.096 -6.176 7.622 838 H ALA 112 H ALA 112 -2.149 -7.600 1.486 839 HA ALA 112 HA ALA 112 -4.817 -8.663 1.286 840 HB1 ALA 112 3HB ALA 112 -5.370 -7.875 -0.885 841 HB2 ALA 112 1HB ALA 112 -4.933 -6.463 0.078 842 HB3 ALA 112 2HB ALA 112 -3.786 -7.125 -1.087 843 H THR 113 H THR 113 -4.267 -10.748 1.202 844 HA THR 113 HA THR 113 -1.891 -11.654 -0.148 845 HB THR 113 HB THR 113 -4.081 -13.436 0.903 846 HG1 THR 113 1HG THR 113 -3.080 -11.669 2.383 847 HG21 THR 113 3HG2 THR 113 -1.090 -13.822 0.822 848 HG22 THR 113 1HG2 THR 113 -2.191 -14.401 -0.428 849 HG23 THR 113 2HG2 THR 113 -2.315 -15.027 1.216 850 H THR 114 H THR 114 -1.755 -12.888 -2.003 851 HA THR 114 HA THR 114 -3.899 -12.514 -3.901 852 HB THR 114 HB THR 114 -2.347 -13.607 -5.515 853 HG1 THR 114 1HG THR 114 -0.336 -14.249 -4.833 854 HG21 THR 114 3HG2 THR 114 -2.328 -11.149 -5.067 855 HG22 THR 114 1HG2 THR 114 -0.786 -11.786 -5.638 856 HG23 THR 114 2HG2 THR 114 -1.008 -11.417 -3.928 857 H TYR 115 H TYR 115 -5.044 -14.132 -4.968 858 HA TYR 115 HA TYR 115 -5.781 -16.367 -3.425 859 HB2 TYR 115 1HB TYR 115 -6.238 -15.939 -6.384 860 HB3 TYR 115 2HB TYR 115 -7.141 -17.023 -5.332 861 HD1 TYR 115 2HD TYR 115 -8.554 -16.027 -3.493 862 HD2 TYR 115 1HD TYR 115 -6.834 -13.666 -6.586 863 HE1 TYR 115 2HE TYR 115 -10.148 -14.222 -2.993 864 HE2 TYR 115 1HE TYR 115 -8.422 -11.853 -6.094 865 HH TYR 115 HH TYR 115 -9.986 -11.111 -4.673 866 H GLU 116 H GLU 116 -5.497 -18.604 -3.834 867 HA GLU 116 HA GLU 116 -2.844 -19.331 -4.505 868 HB2 GLU 116 1HB GLU 116 -4.656 -20.493 -2.971 869 HB3 GLU 116 2HB GLU 116 -5.033 -21.363 -4.451 870 HG2 GLU 116 1HG GLU 116 -2.741 -22.149 -4.598 871 HG3 GLU 116 2HG GLU 116 -2.323 -21.239 -3.147 872 H ALA 117 H ALA 117 -2.025 -19.451 -6.479 873 HA ALA 117 HA ALA 117 -3.333 -19.250 -8.873 874 HB1 ALA 117 3HB ALA 117 -0.711 -19.607 -8.085 875 HB2 ALA 117 1HB ALA 117 -1.035 -21.008 -9.106 876 HB3 ALA 117 2HB ALA 117 -1.283 -19.380 -9.738 877 H SER 118 H SER 118 -2.354 -22.274 -7.267 878 HA SER 118 HA SER 118 -3.550 -23.950 -9.237 879 HB2 SER 118 1HB SER 118 -3.001 -25.779 -7.773 880 HB3 SER 118 2HB SER 118 -1.666 -24.628 -7.712 881 HG SER 118 HG SER 118 -3.417 -25.404 -5.741 882 H GLY 119 H GLY 119 -5.629 -24.401 -9.503 883 HA2 GLY 119 1HA GLY 119 -7.385 -24.741 -7.228 884 HA3 GLY 119 2HA GLY 119 -7.761 -23.346 -8.229 885 HA PRO 120 HA PRO 120 -9.329 -27.549 -9.991 886 HB2 PRO 120 1HB PRO 120 -11.750 -27.763 -8.781 887 HB3 PRO 120 2HB PRO 120 -10.281 -28.497 -8.127 888 HG2 PRO 120 1HG PRO 120 -11.627 -25.939 -7.350 889 HG3 PRO 120 2HG PRO 120 -10.924 -27.193 -6.313 890 HD2 PRO 120 1HD PRO 120 -9.630 -24.886 -6.889 891 HD3 PRO 120 2HD PRO 120 -8.775 -26.418 -6.616 892 H SER 121 H SER 121 -10.222 -27.240 -11.926 893 HA SER 121 HA SER 121 -11.684 -24.805 -12.477 894 HB2 SER 121 1HB SER 121 -10.858 -27.089 -14.285 895 HB3 SER 121 2HB SER 121 -11.621 -25.598 -14.834 896 HG SER 121 HG SER 121 -9.112 -25.945 -14.657 897 H SER 122 H SER 122 -13.115 -26.346 -10.716 898 HA SER 122 HA SER 122 -14.900 -28.210 -11.586 899 HB2 SER 122 1HB SER 122 -15.233 -25.930 -9.648 900 HB3 SER 122 2HB SER 122 -16.552 -27.057 -9.963 901 HG SER 122 HG SER 122 -15.109 -28.751 -9.348 902 H GLY 123 H GLY 123 -16.777 -28.279 -12.744 903 HA2 GLY 123 1HA GLY 123 -18.506 -26.285 -13.440 904 HA3 GLY 123 2HA GLY 123 -17.215 -26.148 -14.625 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -14.213 8.142 -3.721 2 HA2 GLY 1 1HA GLY 1 -14.014 5.625 -2.878 3 HA3 GLY 1 2HA GLY 1 -12.882 6.413 -1.790 4 H SER 2 H SER 2 -14.398 5.545 -0.158 5 HA SER 2 HA SER 2 -16.969 6.869 0.047 6 HB2 SER 2 1HB SER 2 -16.385 4.420 0.734 7 HB3 SER 2 2HB SER 2 -15.778 5.163 2.214 8 HG SER 2 HG SER 2 -18.130 4.460 2.009 9 H SER 3 H SER 3 -13.762 7.338 1.144 10 HA SER 3 HA SER 3 -12.839 8.643 2.807 11 HB2 SER 3 1HB SER 3 -14.804 10.390 1.340 12 HB3 SER 3 2HB SER 3 -13.770 11.047 2.609 13 HG SER 3 HG SER 3 -12.218 11.088 1.210 14 H GLY 4 H GLY 4 -14.478 6.997 4.117 15 HA2 GLY 4 1HA GLY 4 -15.225 8.517 6.405 16 HA3 GLY 4 2HA GLY 4 -16.647 7.997 5.514 17 H SER 5 H SER 5 -13.771 6.872 7.213 18 HA SER 5 HA SER 5 -15.239 4.526 8.096 19 HB2 SER 5 1HB SER 5 -14.206 3.706 6.051 20 HB3 SER 5 2HB SER 5 -12.633 4.309 6.570 21 HG SER 5 HG SER 5 -14.134 2.155 7.598 22 H SER 6 H SER 6 -14.689 3.914 10.116 23 HA SER 6 HA SER 6 -12.683 5.521 11.486 24 HB2 SER 6 1HB SER 6 -14.925 3.737 12.401 25 HB3 SER 6 2HB SER 6 -13.666 4.251 13.525 26 HG SER 6 HG SER 6 -15.593 5.624 13.385 27 H GLY 7 H GLY 7 -11.215 4.479 13.050 28 HA2 GLY 7 1HA GLY 7 -10.274 2.268 13.742 29 HA3 GLY 7 2HA GLY 7 -10.297 1.860 12.033 30 H PHE 8 H PHE 8 -8.904 4.131 14.371 31 HA PHE 8 HA PHE 8 -6.285 3.817 13.372 32 HB2 PHE 8 1HB PHE 8 -5.898 5.719 12.107 33 HB3 PHE 8 2HB PHE 8 -7.530 5.295 11.602 34 HD1 PHE 8 2HD PHE 8 -9.464 6.443 12.881 35 HD2 PHE 8 1HD PHE 8 -5.446 7.850 12.872 36 HE1 PHE 8 2HE PHE 8 -10.249 8.680 13.538 37 HE2 PHE 8 1HE PHE 8 -6.226 10.089 13.531 38 HZ PHE 8 HZ PHE 8 -8.630 10.506 13.864 39 HA PRO 9 HA PRO 9 -5.481 5.452 17.373 40 HB2 PRO 9 1HB PRO 9 -2.864 6.109 17.077 41 HB3 PRO 9 2HB PRO 9 -3.425 4.439 17.215 42 HG2 PRO 9 1HG PRO 9 -2.700 5.997 14.764 43 HG3 PRO 9 2HG PRO 9 -2.299 4.322 15.184 44 HD2 PRO 9 1HD PRO 9 -4.304 4.956 13.479 45 HD3 PRO 9 2HD PRO 9 -4.365 3.532 14.538 46 H THR 10 H THR 10 -6.419 7.339 17.890 47 HA THR 10 HA THR 10 -6.112 9.735 16.392 48 HB THR 10 HB THR 10 -7.304 10.825 18.283 49 HG1 THR 10 1HG THR 10 -8.105 9.217 19.898 50 HG21 THR 10 3HG2 THR 10 -9.400 9.703 17.955 51 HG22 THR 10 1HG2 THR 10 -8.585 8.211 17.486 52 HG23 THR 10 2HG2 THR 10 -8.500 9.629 16.440 53 H SER 11 H SER 11 -3.891 10.167 16.276 54 HA SER 11 HA SER 11 -2.870 11.779 18.389 55 HB2 SER 11 1HB SER 11 -2.405 9.399 19.185 56 HB3 SER 11 2HB SER 11 -1.267 9.279 17.843 57 HG SER 11 HG SER 11 -1.163 10.935 20.119 58 H VAL 12 H VAL 12 -0.635 12.580 17.872 59 HA VAL 12 HA VAL 12 -0.481 13.098 15.016 60 HB VAL 12 HB VAL 12 -0.286 14.985 16.570 61 HG11 VAL 12 1HG1 VAL 12 1.369 15.210 18.176 62 HG12 VAL 12 2HG1 VAL 12 0.955 13.498 18.293 63 HG13 VAL 12 3HG1 VAL 12 2.406 13.999 17.423 64 HG21 VAL 12 3HG2 VAL 12 1.136 14.594 14.322 65 HG22 VAL 12 1HG2 VAL 12 1.190 16.087 15.259 66 HG23 VAL 12 2HG2 VAL 12 2.449 14.870 15.466 67 HA PRO 13 HA PRO 13 2.634 9.951 14.520 68 HB2 PRO 13 1HB PRO 13 3.088 10.425 11.886 69 HB3 PRO 13 2HB PRO 13 1.674 9.542 12.474 70 HG2 PRO 13 1HG PRO 13 1.908 12.409 11.645 71 HG3 PRO 13 2HG PRO 13 0.625 11.241 11.280 72 HD2 PRO 13 1HD PRO 13 0.380 13.116 13.218 73 HD3 PRO 13 2HD PRO 13 -0.384 11.518 13.334 74 H ASP 14 H ASP 14 3.037 13.186 14.787 75 HA ASP 14 HA ASP 14 4.807 14.625 14.819 76 HB2 ASP 14 1HB ASP 14 6.147 12.007 15.502 77 HB3 ASP 14 2HB ASP 14 6.980 13.557 15.577 78 H LEU 15 H LEU 15 4.098 13.544 12.232 79 HA LEU 15 HA LEU 15 6.326 12.780 10.713 80 HB2 LEU 15 1HB LEU 15 3.710 14.076 10.058 81 HB3 LEU 15 2HB LEU 15 4.935 13.866 8.809 82 HG LEU 15 HG LEU 15 3.731 11.619 10.422 83 HD11 LEU 15 1HD1 LEU 15 2.051 11.477 8.972 84 HD12 LEU 15 2HD1 LEU 15 3.127 11.681 7.590 85 HD13 LEU 15 3HD1 LEU 15 2.498 13.096 8.434 86 HD21 LEU 15 3HD2 LEU 15 5.650 10.662 9.706 87 HD22 LEU 15 1HD2 LEU 15 5.868 11.819 8.392 88 HD23 LEU 15 2HD2 LEU 15 4.731 10.482 8.211 89 H SER 16 H SER 16 4.951 15.987 11.355 90 HA SER 16 HA SER 16 5.730 18.092 10.911 91 HB2 SER 16 1HB SER 16 7.244 17.116 12.772 92 HB3 SER 16 2HB SER 16 8.473 17.009 11.512 93 HG SER 16 HG SER 16 7.985 19.314 11.150 94 H THR 17 H THR 17 5.378 16.797 8.565 95 HA THR 17 HA THR 17 7.761 17.518 6.985 96 HB THR 17 HB THR 17 6.993 15.932 5.271 97 HG1 THR 17 1HG THR 17 4.908 15.495 7.150 98 HG21 THR 17 3HG2 THR 17 6.975 14.293 7.751 99 HG22 THR 17 1HG2 THR 17 8.376 15.321 7.456 100 HG23 THR 17 2HG2 THR 17 7.917 14.096 6.273 101 HA PRO 18 HA PRO 18 5.364 20.629 5.000 102 HB2 PRO 18 1HB PRO 18 6.732 20.819 2.663 103 HB3 PRO 18 2HB PRO 18 7.356 21.443 4.195 104 HG2 PRO 18 1HG PRO 18 7.991 18.873 2.797 105 HG3 PRO 18 2HG PRO 18 9.088 20.007 3.606 106 HD2 PRO 18 1HD PRO 18 8.238 17.717 4.774 107 HD3 PRO 18 2HD PRO 18 8.589 19.189 5.703 108 H MET 19 H MET 19 5.222 17.453 4.211 109 HA MET 19 HA MET 19 3.288 17.954 2.048 110 HB2 MET 19 1HB MET 19 5.362 15.784 2.268 111 HB3 MET 19 2HB MET 19 3.941 15.602 1.249 112 HG2 MET 19 1HG MET 19 5.909 17.863 1.008 113 HG3 MET 19 2HG MET 19 5.981 16.378 0.061 114 HE1 MET 19 3HE MET 19 3.255 15.610 -0.993 115 HE2 MET 19 1HE MET 19 3.152 16.621 -2.434 116 HE3 MET 19 2HE MET 19 4.691 15.889 -1.980 117 H LEU 20 H LEU 20 1.706 16.115 1.806 118 HA LEU 20 HA LEU 20 1.141 14.799 4.370 119 HB2 LEU 20 1HB LEU 20 -0.205 16.986 3.742 120 HB3 LEU 20 2HB LEU 20 -1.131 15.850 2.764 121 HG LEU 20 HG LEU 20 -2.101 16.345 5.014 122 HD11 LEU 20 1HD1 LEU 20 -2.036 13.689 5.565 123 HD12 LEU 20 2HD1 LEU 20 -1.541 13.702 3.872 124 HD13 LEU 20 3HD1 LEU 20 -3.072 14.436 4.349 125 HD21 LEU 20 3HD2 LEU 20 0.404 16.146 5.962 126 HD22 LEU 20 1HD2 LEU 20 -0.176 14.515 6.298 127 HD23 LEU 20 2HD2 LEU 20 -1.034 15.908 6.956 128 HA PRO 21 HA PRO 21 0.891 11.403 1.469 129 HB2 PRO 21 1HB PRO 21 0.594 9.481 3.363 130 HB3 PRO 21 2HB PRO 21 2.155 10.212 2.973 131 HG2 PRO 21 1HG PRO 21 0.286 10.826 5.229 132 HG3 PRO 21 2HG PRO 21 2.051 10.666 5.251 133 HD2 PRO 21 1HD PRO 21 0.807 13.071 5.211 134 HD3 PRO 21 2HD PRO 21 2.381 12.797 4.436 135 HA PRO 22 HA PRO 22 -3.424 10.646 1.064 136 HB2 PRO 22 1HB PRO 22 -3.438 8.125 0.057 137 HB3 PRO 22 2HB PRO 22 -2.931 9.532 -0.884 138 HG2 PRO 22 1HG PRO 22 -1.255 7.505 0.545 139 HG3 PRO 22 2HG PRO 22 -1.023 8.216 -1.063 140 HD2 PRO 22 1HD PRO 22 0.353 9.055 1.113 141 HD3 PRO 22 2HD PRO 22 -0.094 10.147 -0.214 142 H VAL 23 H VAL 23 -5.092 8.775 1.484 143 HA VAL 23 HA VAL 23 -4.460 7.275 3.909 144 HB VAL 23 HB VAL 23 -6.320 8.086 5.165 145 HG11 VAL 23 1HG1 VAL 23 -4.161 9.462 5.007 146 HG12 VAL 23 2HG1 VAL 23 -5.115 10.597 4.050 147 HG13 VAL 23 3HG1 VAL 23 -5.582 10.233 5.712 148 HG21 VAL 23 3HG2 VAL 23 -7.413 10.248 3.877 149 HG22 VAL 23 1HG2 VAL 23 -7.193 9.088 2.567 150 HG23 VAL 23 2HG2 VAL 23 -8.140 8.645 3.987 151 H GLY 24 H GLY 24 -6.740 6.159 4.586 152 HA2 GLY 24 1HA GLY 24 -8.067 4.366 4.013 153 HA3 GLY 24 2HA GLY 24 -8.668 5.460 2.775 154 H VAL 25 H VAL 25 -5.475 3.946 3.120 155 HA VAL 25 HA VAL 25 -5.425 3.221 0.355 156 HB VAL 25 HB VAL 25 -3.553 2.219 2.496 157 HG11 VAL 25 1HG1 VAL 25 -1.967 1.999 0.697 158 HG12 VAL 25 2HG1 VAL 25 -3.451 1.150 0.260 159 HG13 VAL 25 3HG1 VAL 25 -3.099 2.730 -0.441 160 HG21 VAL 25 3HG2 VAL 25 -2.543 4.469 1.013 161 HG22 VAL 25 1HG2 VAL 25 -4.039 4.896 1.844 162 HG23 VAL 25 2HG2 VAL 25 -2.677 4.247 2.758 163 H GLN 26 H GLN 26 -6.657 1.620 -0.392 164 HA GLN 26 HA GLN 26 -6.895 -0.833 1.221 165 HB2 GLN 26 1HB GLN 26 -9.032 0.334 0.820 166 HB3 GLN 26 2HB GLN 26 -8.767 0.207 -0.914 167 HG2 GLN 26 1HG GLN 26 -9.033 -2.130 -0.889 168 HG3 GLN 26 2HG GLN 26 -8.902 -2.202 0.867 169 HE21 GLN 26 1HE2 GLN 26 -10.902 -3.437 0.651 170 HE22 GLN 26 2HE2 GLN 26 -12.402 -2.584 0.576 171 H ALA 27 H ALA 27 -6.250 -2.735 0.381 172 HA ALA 27 HA ALA 27 -5.153 -2.686 -2.350 173 HB1 ALA 27 3HB ALA 27 -3.867 -4.736 -1.504 174 HB2 ALA 27 1HB ALA 27 -3.386 -3.151 -0.898 175 HB3 ALA 27 2HB ALA 27 -4.368 -4.218 0.106 176 H VAL 28 H VAL 28 -6.754 -3.399 -3.654 177 HA VAL 28 HA VAL 28 -8.394 -5.669 -2.860 178 HB VAL 28 HB VAL 28 -8.496 -4.145 -5.463 179 HG11 VAL 28 1HG1 VAL 28 -10.957 -5.275 -4.405 180 HG12 VAL 28 2HG1 VAL 28 -10.240 -5.427 -6.010 181 HG13 VAL 28 3HG1 VAL 28 -9.723 -6.497 -4.707 182 HG21 VAL 28 3HG2 VAL 28 -10.530 -3.579 -3.423 183 HG22 VAL 28 1HG2 VAL 28 -8.909 -3.002 -3.036 184 HG23 VAL 28 2HG2 VAL 28 -9.695 -2.488 -4.528 185 H ALA 29 H ALA 29 -8.218 -7.691 -3.646 186 HA ALA 29 HA ALA 29 -5.942 -8.254 -5.397 187 HB1 ALA 29 3HB ALA 29 -6.136 -9.455 -3.241 188 HB2 ALA 29 1HB ALA 29 -7.632 -10.190 -3.820 189 HB3 ALA 29 2HB ALA 29 -6.106 -10.533 -4.637 190 H LEU 30 H LEU 30 -6.419 -8.222 -7.499 191 HA LEU 30 HA LEU 30 -9.046 -8.842 -8.487 192 HB2 LEU 30 1HB LEU 30 -6.530 -8.483 -10.097 193 HB3 LEU 30 2HB LEU 30 -8.195 -8.292 -10.642 194 HG LEU 30 HG LEU 30 -7.054 -6.498 -8.527 195 HD11 LEU 30 1HD1 LEU 30 -5.841 -6.709 -10.949 196 HD12 LEU 30 2HD1 LEU 30 -5.886 -5.244 -9.970 197 HD13 LEU 30 3HD1 LEU 30 -7.054 -5.470 -11.271 198 HD21 LEU 30 3HD2 LEU 30 -9.091 -5.867 -10.637 199 HD22 LEU 30 1HD2 LEU 30 -8.808 -5.065 -9.092 200 HD23 LEU 30 2HD2 LEU 30 -9.540 -6.670 -9.132 201 H THR 31 H THR 31 -5.822 -10.293 -8.942 202 HA THR 31 HA THR 31 -7.054 -12.929 -9.089 203 HB THR 31 HB THR 31 -6.787 -11.850 -11.454 204 HG1 THR 31 1HG THR 31 -6.136 -14.016 -12.218 205 HG21 THR 31 3HG2 THR 31 -4.731 -11.558 -12.307 206 HG22 THR 31 1HG2 THR 31 -4.129 -13.060 -11.607 207 HG23 THR 31 2HG2 THR 31 -4.181 -11.591 -10.632 208 H HIS 32 H HIS 32 -5.185 -14.613 -9.457 209 HA HIS 32 HA HIS 32 -3.589 -14.712 -7.254 210 HB2 HIS 32 1HB HIS 32 -2.092 -16.250 -8.620 211 HB3 HIS 32 2HB HIS 32 -3.799 -16.679 -8.561 212 HD1 HIS 32 1HD HIS 32 -5.213 -15.964 -10.752 213 HD2 HIS 32 2HD HIS 32 -1.076 -15.970 -11.132 214 HE1 HIS 32 1HE HIS 32 -4.765 -15.982 -13.226 215 HE2 HIS 32 2HE HIS 32 -2.257 -16.072 -13.431 216 H ASP 33 H ASP 33 -2.681 -13.398 -10.426 217 HA ASP 33 HA ASP 33 -0.341 -12.146 -9.145 218 HB2 ASP 33 1HB ASP 33 0.662 -12.071 -11.413 219 HB3 ASP 33 2HB ASP 33 0.332 -13.714 -10.870 220 H ALA 34 H ALA 34 -2.849 -10.956 -8.918 221 HA ALA 34 HA ALA 34 -2.326 -8.426 -10.236 222 HB1 ALA 34 3HB ALA 34 -3.760 -9.705 -11.824 223 HB2 ALA 34 1HB ALA 34 -5.016 -9.737 -10.586 224 HB3 ALA 34 2HB ALA 34 -4.477 -8.197 -11.257 225 H VAL 35 H VAL 35 -2.830 -6.751 -8.952 226 HA VAL 35 HA VAL 35 -4.830 -7.072 -6.850 227 HB VAL 35 HB VAL 35 -1.919 -6.539 -6.357 228 HG11 VAL 35 1HG1 VAL 35 -2.573 -5.782 -4.065 229 HG12 VAL 35 2HG1 VAL 35 -2.970 -4.643 -5.353 230 HG13 VAL 35 3HG1 VAL 35 -4.233 -5.649 -4.645 231 HG21 VAL 35 3HG2 VAL 35 -2.194 -8.692 -5.751 232 HG22 VAL 35 1HG2 VAL 35 -2.854 -7.990 -4.273 233 HG23 VAL 35 2HG2 VAL 35 -3.939 -8.524 -5.557 234 H ARG 36 H ARG 36 -6.151 -5.402 -7.083 235 HA ARG 36 HA ARG 36 -5.228 -2.942 -8.310 236 HB2 ARG 36 1HB ARG 36 -7.345 -3.688 -9.080 237 HB3 ARG 36 2HB ARG 36 -7.933 -3.944 -7.442 238 HG2 ARG 36 1HG ARG 36 -8.995 -1.995 -8.192 239 HG3 ARG 36 2HG ARG 36 -7.706 -1.440 -7.122 240 HD2 ARG 36 1HD ARG 36 -7.434 -0.024 -8.911 241 HD3 ARG 36 2HD ARG 36 -6.323 -1.325 -9.337 242 HE ARG 36 HE ARG 36 -8.724 -2.004 -10.486 243 HH11 ARG 36 1HH1 ARG 36 -6.519 0.683 -10.670 244 HH12 ARG 36 2HH1 ARG 36 -6.914 1.063 -12.314 245 HH21 ARG 36 1HH2 ARG 36 -9.252 -1.515 -12.650 246 HH22 ARG 36 2HH2 ARG 36 -8.469 -0.188 -13.439 247 H VAL 37 H VAL 37 -4.018 -1.763 -6.918 248 HA VAL 37 HA VAL 37 -4.911 -1.380 -4.171 249 HB VAL 37 HB VAL 37 -2.445 -0.344 -5.578 250 HG11 VAL 37 1HG1 VAL 37 -3.354 0.968 -3.582 251 HG12 VAL 37 2HG1 VAL 37 -2.902 -0.435 -2.612 252 HG13 VAL 37 3HG1 VAL 37 -1.670 0.449 -3.514 253 HG21 VAL 37 3HG2 VAL 37 -1.713 -2.145 -3.593 254 HG22 VAL 37 1HG2 VAL 37 -3.100 -2.896 -4.383 255 HG23 VAL 37 2HG2 VAL 37 -1.690 -2.426 -5.334 256 H SER 38 H SER 38 -6.451 0.098 -3.881 257 HA SER 38 HA SER 38 -6.209 2.658 -5.322 258 HB2 SER 38 1HB SER 38 -8.264 1.014 -5.689 259 HB3 SER 38 2HB SER 38 -8.840 1.786 -4.212 260 HG SER 38 HG SER 38 -8.415 3.823 -5.343 261 H TRP 39 H TRP 39 -6.805 4.565 -4.181 262 HA TRP 39 HA TRP 39 -7.183 4.350 -1.300 263 HB2 TRP 39 1HB TRP 39 -5.319 5.930 -0.848 264 HB3 TRP 39 2HB TRP 39 -4.767 4.386 -1.492 265 HD1 TRP 39 HD TRP 39 -4.736 8.084 -2.201 266 HE1 TRP 39 1HE TRP 39 -3.382 8.537 -4.343 267 HE3 TRP 39 3HE TRP 39 -4.204 3.276 -3.857 268 HZ2 TRP 39 2HZ TRP 39 -2.240 7.052 -6.455 269 HZ3 TRP 39 3HZ TRP 39 -2.968 2.879 -5.947 270 HH2 TRP 39 HH TRP 39 -2.007 4.729 -7.218 271 H ALA 40 H ALA 40 -7.083 6.825 -0.445 272 HA ALA 40 HA ALA 40 -8.874 8.326 -2.242 273 HB1 ALA 40 3HB ALA 40 -9.394 9.364 0.213 274 HB2 ALA 40 1HB ALA 40 -10.316 8.065 -0.543 275 HB3 ALA 40 2HB ALA 40 -9.041 7.683 0.614 276 H ASP 41 H ASP 41 -8.906 10.739 -1.673 277 HA ASP 41 HA ASP 41 -6.202 11.684 -1.005 278 HB2 ASP 41 1HB ASP 41 -6.365 13.353 -2.821 279 HB3 ASP 41 2HB ASP 41 -6.387 11.702 -3.434 280 H ASN 42 H ASN 42 -6.328 12.972 0.699 281 HA ASN 42 HA ASN 42 -8.661 14.754 0.946 282 HB2 ASN 42 1HB ASN 42 -7.310 13.034 2.992 283 HB3 ASN 42 2HB ASN 42 -8.059 14.545 3.500 284 HD21 ASN 42 1HD2 ASN 42 -8.589 11.360 2.244 285 HD22 ASN 42 2HD2 ASN 42 -10.301 11.330 2.476 286 H SER 43 H SER 43 -5.813 15.024 -0.118 287 HA SER 43 HA SER 43 -4.795 17.098 1.682 288 HB2 SER 43 1HB SER 43 -3.215 15.363 0.882 289 HB3 SER 43 2HB SER 43 -3.505 15.888 -0.776 290 HG SER 43 HG SER 43 -1.709 16.965 -0.130 291 H VAL 44 H VAL 44 -7.108 17.170 -0.387 292 HA VAL 44 HA VAL 44 -6.359 19.789 -1.472 293 HB VAL 44 HB VAL 44 -6.035 18.315 -3.342 294 HG11 VAL 44 1HG1 VAL 44 -8.095 16.815 -2.165 295 HG12 VAL 44 2HG1 VAL 44 -8.692 17.316 -3.748 296 HG13 VAL 44 3HG1 VAL 44 -7.173 16.428 -3.618 297 HG21 VAL 44 3HG2 VAL 44 -7.411 19.364 -4.929 298 HG22 VAL 44 1HG2 VAL 44 -8.747 19.527 -3.789 299 HG23 VAL 44 2HG2 VAL 44 -7.301 20.520 -3.601 300 HA PRO 45 HA PRO 45 -10.301 20.576 0.495 301 HB2 PRO 45 1HB PRO 45 -10.223 23.267 0.137 302 HB3 PRO 45 2HB PRO 45 -9.312 22.440 1.406 303 HG2 PRO 45 1HG PRO 45 -8.380 23.413 -1.267 304 HG3 PRO 45 2HG PRO 45 -7.578 23.535 0.310 305 HD2 PRO 45 1HD PRO 45 -6.905 21.662 -1.527 306 HD3 PRO 45 2HD PRO 45 -6.798 21.368 0.221 307 H LYS 46 H LYS 46 -12.199 22.096 -0.178 308 HA LYS 46 HA LYS 46 -12.949 21.323 -2.859 309 HB2 LYS 46 1HB LYS 46 -14.576 21.125 -1.051 310 HB3 LYS 46 2HB LYS 46 -14.457 22.850 -0.730 311 HG2 LYS 46 1HG LYS 46 -15.508 23.395 -2.783 312 HG3 LYS 46 2HG LYS 46 -15.383 21.732 -3.362 313 HD2 LYS 46 1HD LYS 46 -17.587 21.823 -2.687 314 HD3 LYS 46 2HD LYS 46 -16.802 21.189 -1.238 315 HE2 LYS 46 1HE LYS 46 -16.609 23.679 -0.554 316 HE3 LYS 46 2HE LYS 46 -17.858 23.941 -1.770 317 HZ1 LYS 46 3HZ LYS 46 -18.558 23.507 0.647 318 HZ2 LYS 46 1HZ LYS 46 -18.209 21.885 0.314 319 HZ3 LYS 46 2HZ LYS 46 -19.387 22.699 -0.586 320 H ASN 47 H ASN 47 -13.814 22.822 -4.430 321 HA ASN 47 HA ASN 47 -13.384 24.566 -5.855 322 HB2 ASN 47 1HB ASN 47 -15.056 25.373 -3.994 323 HB3 ASN 47 2HB ASN 47 -13.711 26.404 -3.513 324 HD21 ASN 47 1HD2 ASN 47 -16.399 26.185 -5.421 325 HD22 ASN 47 2HD2 ASN 47 -16.054 27.458 -6.537 326 H GLN 48 H GLN 48 -11.004 23.539 -5.216 327 HA GLN 48 HA GLN 48 -9.318 25.905 -4.723 328 HB2 GLN 48 1HB GLN 48 -9.245 24.159 -2.909 329 HB3 GLN 48 2HB GLN 48 -8.559 23.052 -4.091 330 HG2 GLN 48 1HG GLN 48 -6.841 25.039 -4.407 331 HG3 GLN 48 2HG GLN 48 -7.343 25.401 -2.757 332 HE21 GLN 48 1HE2 GLN 48 -5.718 24.753 -1.520 333 HE22 GLN 48 2HE2 GLN 48 -4.992 23.186 -1.553 334 H LYS 49 H LYS 49 -8.031 26.467 -6.346 335 HA LYS 49 HA LYS 49 -7.845 24.736 -8.673 336 HB2 LYS 49 1HB LYS 49 -6.946 27.578 -8.180 337 HB3 LYS 49 2HB LYS 49 -6.710 26.728 -9.701 338 HG2 LYS 49 1HG LYS 49 -9.403 27.189 -8.444 339 HG3 LYS 49 2HG LYS 49 -8.677 28.256 -9.648 340 HD2 LYS 49 1HD LYS 49 -8.477 26.213 -11.135 341 HD3 LYS 49 2HD LYS 49 -9.516 25.384 -9.973 342 HE2 LYS 49 1HE LYS 49 -11.356 26.642 -10.516 343 HE3 LYS 49 2HE LYS 49 -10.392 28.022 -11.038 344 HZ1 LYS 49 3HZ LYS 49 -11.275 25.707 -12.543 345 HZ2 LYS 49 1HZ LYS 49 -9.684 26.197 -12.845 346 HZ3 LYS 49 2HZ LYS 49 -10.961 27.284 -13.067 347 H THR 50 H THR 50 -6.338 23.193 -8.545 348 HA THR 50 HA THR 50 -3.888 23.541 -7.088 349 HB THR 50 HB THR 50 -4.192 21.292 -9.016 350 HG1 THR 50 1HG THR 50 -6.217 21.157 -8.226 351 HG21 THR 50 3HG2 THR 50 -3.188 20.025 -7.215 352 HG22 THR 50 1HG2 THR 50 -3.360 21.391 -6.114 353 HG23 THR 50 2HG2 THR 50 -2.254 21.496 -7.484 354 H SER 51 H SER 51 -2.129 24.510 -7.831 355 HA SER 51 HA SER 51 -1.775 24.771 -10.737 356 HB2 SER 51 1HB SER 51 -0.847 26.419 -8.399 357 HB3 SER 51 2HB SER 51 -0.038 26.540 -9.961 358 HG SER 51 HG SER 51 -2.356 26.820 -10.736 359 H GLU 52 H GLU 52 -0.051 23.936 -7.758 360 HA GLU 52 HA GLU 52 2.347 23.175 -9.141 361 HB2 GLU 52 1HB GLU 52 1.464 22.657 -6.296 362 HB3 GLU 52 2HB GLU 52 3.073 22.336 -6.928 363 HG2 GLU 52 1HG GLU 52 3.031 24.409 -5.679 364 HG3 GLU 52 2HG GLU 52 3.380 24.711 -7.380 365 H VAL 53 H VAL 53 2.338 21.449 -10.426 366 HA VAL 53 HA VAL 53 0.555 19.349 -10.455 367 HB VAL 53 HB VAL 53 2.434 19.971 -12.138 368 HG11 VAL 53 1HG1 VAL 53 4.196 19.452 -10.344 369 HG12 VAL 53 2HG1 VAL 53 3.899 17.758 -10.739 370 HG13 VAL 53 3HG1 VAL 53 4.484 18.866 -11.981 371 HG21 VAL 53 3HG2 VAL 53 0.692 18.022 -12.122 372 HG22 VAL 53 1HG2 VAL 53 2.030 18.007 -13.272 373 HG23 VAL 53 2HG2 VAL 53 2.110 17.020 -11.812 374 H ARG 54 H ARG 54 1.240 16.971 -10.117 375 HA ARG 54 HA ARG 54 2.975 16.435 -7.895 376 HB2 ARG 54 1HB ARG 54 0.895 15.321 -6.683 377 HB3 ARG 54 2HB ARG 54 1.346 16.995 -6.390 378 HG2 ARG 54 1HG ARG 54 -0.935 17.130 -6.701 379 HG3 ARG 54 2HG ARG 54 -0.308 17.529 -8.302 380 HD2 ARG 54 1HD ARG 54 -0.614 15.134 -8.934 381 HD3 ARG 54 2HD ARG 54 -1.406 14.878 -7.380 382 HE ARG 54 HE ARG 54 -3.290 15.835 -8.241 383 HH11 ARG 54 1HH1 ARG 54 -0.571 16.750 -10.212 384 HH12 ARG 54 2HH1 ARG 54 -1.539 17.542 -11.410 385 HH21 ARG 54 1HH2 ARG 54 -4.576 16.875 -9.812 386 HH22 ARG 54 2HH2 ARG 54 -3.818 17.613 -11.181 387 H LEU 55 H LEU 55 3.253 14.179 -7.501 388 HA LEU 55 HA LEU 55 1.994 12.394 -9.463 389 HB2 LEU 55 1HB LEU 55 4.069 12.851 -10.470 390 HB3 LEU 55 2HB LEU 55 4.925 12.763 -8.933 391 HG LEU 55 HG LEU 55 4.053 10.239 -9.069 392 HD11 LEU 55 1HD1 LEU 55 3.269 9.640 -11.051 393 HD12 LEU 55 2HD1 LEU 55 4.790 10.125 -11.800 394 HD13 LEU 55 3HD1 LEU 55 3.473 11.288 -11.647 395 HD21 LEU 55 3HD2 LEU 55 6.266 9.696 -10.098 396 HD22 LEU 55 1HD2 LEU 55 6.346 10.811 -8.733 397 HD23 LEU 55 2HD2 LEU 55 6.495 11.422 -10.381 398 H TYR 56 H TYR 56 1.438 10.429 -8.696 399 HA TYR 56 HA TYR 56 2.016 9.901 -5.869 400 HB2 TYR 56 1HB TYR 56 -0.187 9.057 -7.726 401 HB3 TYR 56 2HB TYR 56 0.136 8.141 -6.258 402 HD1 TYR 56 1HD TYR 56 0.099 11.808 -6.988 403 HD2 TYR 56 2HD TYR 56 -1.504 8.600 -4.700 404 HE1 TYR 56 1HE TYR 56 -1.251 13.410 -5.700 405 HE2 TYR 56 2HE TYR 56 -2.860 10.192 -3.406 406 HH TYR 56 HH TYR 56 -2.411 13.056 -2.965 407 H THR 57 H THR 57 3.147 8.168 -5.215 408 HA THR 57 HA THR 57 4.105 6.316 -7.296 409 HB THR 57 HB THR 57 5.466 6.881 -4.661 410 HG1 THR 57 1HG THR 57 5.833 8.071 -7.221 411 HG21 THR 57 3HG2 THR 57 7.050 5.422 -5.305 412 HG22 THR 57 1HG2 THR 57 7.029 5.993 -6.973 413 HG23 THR 57 2HG2 THR 57 5.830 4.820 -6.427 414 H VAL 58 H VAL 58 4.018 4.128 -6.961 415 HA VAL 58 HA VAL 58 2.739 3.212 -4.469 416 HB VAL 58 HB VAL 58 2.196 2.083 -7.217 417 HG11 VAL 58 1HG1 VAL 58 0.719 0.602 -6.228 418 HG12 VAL 58 2HG1 VAL 58 2.041 0.645 -5.060 419 HG13 VAL 58 3HG1 VAL 58 0.569 1.570 -4.762 420 HG21 VAL 58 3HG2 VAL 58 1.306 4.444 -6.647 421 HG22 VAL 58 1HG2 VAL 58 0.187 3.246 -7.299 422 HG23 VAL 58 2HG2 VAL 58 0.201 3.591 -5.569 423 H ARG 59 H ARG 59 4.029 1.881 -3.397 424 HA ARG 59 HA ARG 59 5.816 0.110 -4.932 425 HB2 ARG 59 1HB ARG 59 7.541 0.397 -3.359 426 HB3 ARG 59 2HB ARG 59 6.916 2.018 -3.633 427 HG2 ARG 59 1HG ARG 59 5.768 2.024 -1.563 428 HG3 ARG 59 2HG ARG 59 6.040 0.295 -1.333 429 HD2 ARG 59 1HD ARG 59 8.278 0.586 -0.811 430 HD3 ARG 59 2HD ARG 59 8.364 2.154 -1.611 431 HE ARG 59 HE ARG 59 6.596 2.428 0.505 432 HH11 ARG 59 1HH1 ARG 59 9.962 1.672 0.036 433 HH12 ARG 59 2HH1 ARG 59 10.458 2.340 1.556 434 HH21 ARG 59 1HH2 ARG 59 7.237 3.311 2.509 435 HH22 ARG 59 2HH2 ARG 59 8.908 3.271 2.962 436 H TRP 60 H TRP 60 6.155 -1.980 -4.121 437 HA TRP 60 HA TRP 60 4.659 -2.836 -1.781 438 HB2 TRP 60 1HB TRP 60 3.540 -4.671 -3.059 439 HB3 TRP 60 2HB TRP 60 2.967 -3.060 -3.481 440 HD1 TRP 60 HD TRP 60 4.731 -6.083 -4.937 441 HE1 TRP 60 1HE TRP 60 5.010 -5.756 -7.475 442 HE3 TRP 60 3HE TRP 60 3.299 -1.188 -5.287 443 HZ2 TRP 60 2HZ TRP 60 4.668 -3.695 -9.374 444 HZ3 TRP 60 3HZ TRP 60 3.304 -0.113 -7.501 445 HH2 TRP 60 HH TRP 60 3.975 -1.342 -9.500 446 H ARG 61 H ARG 61 5.733 -4.367 -0.698 447 HA ARG 61 HA ARG 61 7.739 -5.964 -2.141 448 HB2 ARG 61 1HB ARG 61 9.041 -4.323 -1.034 449 HB3 ARG 61 2HB ARG 61 8.079 -4.438 0.433 450 HG2 ARG 61 1HG ARG 61 10.036 -5.548 0.982 451 HG3 ARG 61 2HG ARG 61 8.934 -6.859 0.554 452 HD2 ARG 61 1HD ARG 61 10.739 -7.506 -0.669 453 HD3 ARG 61 2HD ARG 61 9.981 -6.438 -1.849 454 HE ARG 61 HE ARG 61 11.701 -4.926 -1.560 455 HH11 ARG 61 1HH1 ARG 61 11.912 -7.460 0.818 456 HH12 ARG 61 2HH1 ARG 61 13.503 -7.017 1.340 457 HH21 ARG 61 1HH2 ARG 61 13.797 -4.333 -0.882 458 HH22 ARG 61 2HH2 ARG 61 14.574 -5.237 0.373 459 H THR 62 H THR 62 8.006 -8.066 -1.455 460 HA THR 62 HA THR 62 5.872 -9.468 -0.466 461 HB THR 62 HB THR 62 7.653 -11.214 0.256 462 HG1 THR 62 1HG THR 62 9.312 -9.437 0.252 463 HG21 THR 62 3HG2 THR 62 6.392 -11.360 -1.824 464 HG22 THR 62 1HG2 THR 62 8.073 -11.818 -2.094 465 HG23 THR 62 2HG2 THR 62 7.501 -10.227 -2.595 466 H SER 63 H SER 63 5.054 -9.984 1.487 467 HA SER 63 HA SER 63 6.157 -8.611 3.803 468 HB2 SER 63 1HB SER 63 3.533 -9.864 3.124 469 HB3 SER 63 2HB SER 63 3.977 -9.733 4.826 470 HG SER 63 HG SER 63 4.230 -7.498 3.143 471 H PHE 64 H PHE 64 7.496 -9.581 5.158 472 HA PHE 64 HA PHE 64 8.505 -11.163 6.449 473 HB2 PHE 64 1HB PHE 64 6.323 -13.112 5.747 474 HB3 PHE 64 2HB PHE 64 7.274 -13.013 7.226 475 HD1 PHE 64 2HD PHE 64 7.042 -10.459 8.276 476 HD2 PHE 64 1HD PHE 64 4.118 -12.610 6.054 477 HE1 PHE 64 2HE PHE 64 5.265 -9.124 9.330 478 HE2 PHE 64 1HE PHE 64 2.335 -11.277 7.104 479 HZ PHE 64 HZ PHE 64 2.908 -9.533 8.745 480 H SER 65 H SER 65 9.521 -10.859 3.985 481 HA SER 65 HA SER 65 9.921 -13.574 2.927 482 HB2 SER 65 1HB SER 65 9.197 -11.460 1.495 483 HB3 SER 65 2HB SER 65 10.934 -11.159 1.489 484 HG SER 65 HG SER 65 11.199 -12.776 0.169 485 H ALA 66 H ALA 66 12.147 -14.040 2.112 486 HA ALA 66 HA ALA 66 14.073 -13.309 4.168 487 HB1 ALA 66 3HB ALA 66 15.017 -15.110 2.082 488 HB2 ALA 66 1HB ALA 66 14.972 -15.325 3.833 489 HB3 ALA 66 2HB ALA 66 13.538 -15.668 2.864 490 H SER 67 H SER 67 13.830 -13.266 0.621 491 HA SER 67 HA SER 67 15.631 -10.973 0.563 492 HB2 SER 67 1HB SER 67 17.144 -11.912 -1.025 493 HB3 SER 67 2HB SER 67 16.993 -13.098 0.272 494 HG SER 67 HG SER 67 16.818 -14.103 -1.751 495 H ALA 68 H ALA 68 14.432 -9.494 -0.430 496 HA ALA 68 HA ALA 68 13.377 -10.070 -3.076 497 HB1 ALA 68 3HB ALA 68 11.665 -9.515 -0.706 498 HB2 ALA 68 1HB ALA 68 11.194 -8.842 -2.267 499 HB3 ALA 68 2HB ALA 68 11.383 -10.586 -2.079 500 H LYS 69 H LYS 69 12.221 -7.934 -3.883 501 HA LYS 69 HA LYS 69 13.807 -5.621 -2.991 502 HB2 LYS 69 1HB LYS 69 14.013 -4.913 -5.349 503 HB3 LYS 69 2HB LYS 69 14.817 -6.445 -5.036 504 HG2 LYS 69 1HG LYS 69 13.764 -6.986 -6.966 505 HG3 LYS 69 2HG LYS 69 12.478 -7.406 -5.832 506 HD2 LYS 69 1HD LYS 69 11.188 -5.617 -6.420 507 HD3 LYS 69 2HD LYS 69 12.580 -4.610 -6.828 508 HE2 LYS 69 1HE LYS 69 11.890 -7.000 -8.493 509 HE3 LYS 69 2HE LYS 69 11.034 -5.476 -8.722 510 HZ1 LYS 69 3HZ LYS 69 13.819 -6.149 -9.300 511 HZ2 LYS 69 1HZ LYS 69 13.489 -4.571 -8.788 512 HZ3 LYS 69 2HZ LYS 69 12.737 -5.186 -10.172 513 H TYR 70 H TYR 70 12.746 -3.701 -2.870 514 HA TYR 70 HA TYR 70 9.887 -3.764 -2.896 515 HB2 TYR 70 1HB TYR 70 11.986 -1.792 -2.160 516 HB3 TYR 70 2HB TYR 70 10.394 -1.155 -2.560 517 HD1 TYR 70 2HD TYR 70 12.235 -3.384 -0.261 518 HD2 TYR 70 1HD TYR 70 8.563 -1.388 -1.059 519 HE1 TYR 70 2HE TYR 70 11.459 -3.915 2.012 520 HE2 TYR 70 1HE TYR 70 7.778 -1.912 1.213 521 HH TYR 70 HH TYR 70 8.184 -3.368 3.011 522 H LYS 71 H LYS 71 8.660 -3.527 -4.629 523 HA LYS 71 HA LYS 71 9.716 -2.496 -7.097 524 HB2 LYS 71 1HB LYS 71 7.906 -4.372 -6.646 525 HB3 LYS 71 2HB LYS 71 6.800 -3.006 -6.704 526 HG2 LYS 71 1HG LYS 71 7.164 -2.624 -8.930 527 HG3 LYS 71 2HG LYS 71 8.782 -3.330 -8.899 528 HD2 LYS 71 1HD LYS 71 7.777 -5.563 -8.635 529 HD3 LYS 71 2HD LYS 71 6.171 -4.837 -8.727 530 HE2 LYS 71 1HE LYS 71 6.696 -4.006 -10.979 531 HE3 LYS 71 2HE LYS 71 8.282 -4.769 -10.883 532 HZ1 LYS 71 3HZ LYS 71 6.886 -6.886 -10.416 533 HZ2 LYS 71 1HZ LYS 71 7.065 -6.336 -12.006 534 HZ3 LYS 71 2HZ LYS 71 5.637 -6.020 -11.158 535 H SER 72 H SER 72 8.821 -0.728 -8.294 536 HA SER 72 HA SER 72 7.200 1.198 -6.830 537 HB2 SER 72 1HB SER 72 8.813 3.040 -7.307 538 HB3 SER 72 2HB SER 72 9.444 1.845 -6.174 539 HG SER 72 HG SER 72 10.054 2.120 -8.928 540 H GLU 73 H GLU 73 5.828 2.253 -8.133 541 HA GLU 73 HA GLU 73 6.432 2.482 -10.985 542 HB2 GLU 73 1HB GLU 73 5.060 0.376 -10.479 543 HB3 GLU 73 2HB GLU 73 3.745 1.471 -10.075 544 HG2 GLU 73 1HG GLU 73 3.906 0.468 -12.456 545 HG3 GLU 73 2HG GLU 73 3.466 2.162 -12.246 546 H ASP 74 H ASP 74 5.608 4.286 -11.942 547 HA ASP 74 HA ASP 74 4.448 6.270 -10.161 548 HB2 ASP 74 1HB ASP 74 4.998 7.885 -11.830 549 HB3 ASP 74 2HB ASP 74 6.365 6.779 -11.725 550 H THR 75 H THR 75 2.406 7.012 -10.241 551 HA THR 75 HA THR 75 0.719 6.452 -12.542 552 HB THR 75 HB THR 75 0.426 4.437 -11.185 553 HG1 THR 75 1HG THR 75 -1.690 6.294 -11.403 554 HG21 THR 75 3HG2 THR 75 0.578 6.252 -9.023 555 HG22 THR 75 1HG2 THR 75 0.414 4.498 -8.959 556 HG23 THR 75 2HG2 THR 75 -1.025 5.519 -8.973 557 H THR 76 H THR 76 -0.597 8.115 -12.924 558 HA THR 76 HA THR 76 -0.794 10.226 -10.918 559 HB THR 76 HB THR 76 -1.919 11.478 -12.858 560 HG1 THR 76 1HG THR 76 -2.027 9.252 -14.001 561 HG21 THR 76 3HG2 THR 76 0.937 10.604 -13.289 562 HG22 THR 76 1HG2 THR 76 0.439 11.789 -12.082 563 HG23 THR 76 2HG2 THR 76 0.195 12.121 -13.797 564 H SER 77 H SER 77 -2.281 7.836 -10.448 565 HA SER 77 HA SER 77 -4.974 8.986 -10.391 566 HB2 SER 77 1HB SER 77 -4.400 6.134 -11.232 567 HB3 SER 77 2HB SER 77 -5.994 6.867 -11.060 568 HG SER 77 HG SER 77 -4.444 6.861 -13.191 569 H LEU 78 H LEU 78 -6.425 7.661 -8.908 570 HA LEU 78 HA LEU 78 -4.916 7.096 -6.473 571 HB2 LEU 78 1HB LEU 78 -7.885 7.401 -6.893 572 HB3 LEU 78 2HB LEU 78 -7.071 7.241 -5.338 573 HG LEU 78 HG LEU 78 -6.509 9.535 -7.197 574 HD11 LEU 78 1HD1 LEU 78 -8.100 10.626 -5.318 575 HD12 LEU 78 2HD1 LEU 78 -8.865 9.048 -5.499 576 HD13 LEU 78 3HD1 LEU 78 -8.669 10.098 -6.902 577 HD21 LEU 78 3HD2 LEU 78 -5.772 10.618 -5.143 578 HD22 LEU 78 1HD2 LEU 78 -4.903 9.104 -5.400 579 HD23 LEU 78 2HD2 LEU 78 -6.207 9.182 -4.215 580 H SER 79 H SER 79 -5.134 5.221 -8.788 581 HA SER 79 HA SER 79 -5.679 2.852 -7.239 582 HB2 SER 79 1HB SER 79 -7.430 1.944 -8.549 583 HB3 SER 79 2HB SER 79 -7.917 3.609 -8.231 584 HG SER 79 HG SER 79 -6.655 3.893 -10.385 585 H TYR 80 H TYR 80 -4.333 1.264 -7.823 586 HA TYR 80 HA TYR 80 -3.143 1.344 -10.510 587 HB2 TYR 80 1HB TYR 80 -1.490 2.304 -9.041 588 HB3 TYR 80 2HB TYR 80 -1.682 0.988 -7.887 589 HD1 TYR 80 1HD TYR 80 -0.407 1.864 -11.244 590 HD2 TYR 80 2HD TYR 80 -0.512 -1.064 -8.158 591 HE1 TYR 80 1HE TYR 80 1.399 0.627 -12.364 592 HE2 TYR 80 2HE TYR 80 1.295 -2.309 -9.270 593 HH TYR 80 HH TYR 80 2.719 -1.153 -12.315 594 H THR 81 H THR 81 -2.452 -0.666 -11.342 595 HA THR 81 HA THR 81 -3.648 -2.986 -9.975 596 HB THR 81 HB THR 81 -3.087 -2.849 -12.932 597 HG1 THR 81 1HG THR 81 -5.254 -2.193 -13.180 598 HG21 THR 81 3HG2 THR 81 -4.109 -4.827 -11.126 599 HG22 THR 81 1HG2 THR 81 -3.783 -4.964 -12.853 600 HG23 THR 81 2HG2 THR 81 -5.356 -4.395 -12.295 601 H ALA 82 H ALA 82 -2.008 -3.942 -8.906 602 HA ALA 82 HA ALA 82 0.659 -4.075 -9.955 603 HB1 ALA 82 3HB ALA 82 -0.604 -5.415 -7.569 604 HB2 ALA 82 1HB ALA 82 1.115 -5.466 -7.961 605 HB3 ALA 82 2HB ALA 82 0.343 -3.928 -7.572 606 H THR 83 H THR 83 0.802 -5.243 -11.808 607 HA THR 83 HA THR 83 -0.332 -7.951 -11.844 608 HB THR 83 HB THR 83 -0.051 -7.932 -14.238 609 HG1 THR 83 1HG THR 83 1.106 -5.341 -13.971 610 HG21 THR 83 3HG2 THR 83 -2.062 -6.848 -13.441 611 HG22 THR 83 1HG2 THR 83 -1.456 -5.982 -14.852 612 HG23 THR 83 2HG2 THR 83 -1.199 -5.324 -13.236 613 H GLY 84 H GLY 84 0.950 -9.731 -12.587 614 HA2 GLY 84 1HA GLY 84 2.889 -10.962 -12.849 615 HA3 GLY 84 2HA GLY 84 3.786 -9.453 -12.926 616 H LEU 85 H LEU 85 1.739 -10.863 -10.380 617 HA LEU 85 HA LEU 85 4.001 -10.534 -8.527 618 HB2 LEU 85 1HB LEU 85 1.201 -10.950 -7.595 619 HB3 LEU 85 2HB LEU 85 2.526 -10.087 -6.817 620 HG LEU 85 HG LEU 85 1.294 -8.988 -9.311 621 HD11 LEU 85 1HD1 LEU 85 -0.011 -9.297 -6.712 622 HD12 LEU 85 2HD1 LEU 85 -0.697 -8.921 -8.292 623 HD13 LEU 85 3HD1 LEU 85 0.018 -7.639 -7.315 624 HD21 LEU 85 3HD2 LEU 85 3.416 -8.173 -7.942 625 HD22 LEU 85 1HD2 LEU 85 2.172 -7.372 -6.982 626 HD23 LEU 85 2HD2 LEU 85 2.303 -7.039 -8.709 627 H LYS 86 H LYS 86 3.393 -12.100 -6.472 628 HA LYS 86 HA LYS 86 3.568 -14.787 -7.619 629 HB2 LYS 86 1HB LYS 86 5.276 -13.777 -5.954 630 HB3 LYS 86 2HB LYS 86 4.053 -14.103 -4.733 631 HG2 LYS 86 1HG LYS 86 4.184 -16.418 -5.058 632 HG3 LYS 86 2HG LYS 86 5.036 -16.240 -6.593 633 HD2 LYS 86 1HD LYS 86 6.782 -16.798 -5.217 634 HD3 LYS 86 2HD LYS 86 6.825 -15.038 -5.081 635 HE2 LYS 86 1HE LYS 86 6.973 -15.766 -2.872 636 HE3 LYS 86 2HE LYS 86 5.268 -15.361 -3.064 637 HZ1 LYS 86 3HZ LYS 86 4.939 -17.392 -2.225 638 HZ2 LYS 86 1HZ LYS 86 6.508 -17.919 -2.574 639 HZ3 LYS 86 2HZ LYS 86 5.319 -17.952 -3.775 640 HA PRO 87 HA PRO 87 -0.549 -15.733 -6.316 641 HB2 PRO 87 1HB PRO 87 -0.392 -18.432 -6.570 642 HB3 PRO 87 2HB PRO 87 -0.524 -17.342 -7.955 643 HG2 PRO 87 1HG PRO 87 1.906 -18.661 -6.809 644 HG3 PRO 87 2HG PRO 87 1.437 -18.463 -8.507 645 HD2 PRO 87 1HD PRO 87 3.264 -16.866 -7.305 646 HD3 PRO 87 2HD PRO 87 2.187 -16.285 -8.592 647 H ASN 88 H ASN 88 -1.668 -16.724 -4.580 648 HA ASN 88 HA ASN 88 -1.913 -17.097 -2.335 649 HB2 ASN 88 1HB ASN 88 -0.984 -19.199 -1.580 650 HB3 ASN 88 2HB ASN 88 -1.481 -19.371 -3.261 651 HD21 ASN 88 1HD2 ASN 88 -0.006 -19.897 -4.769 652 HD22 ASN 88 2HD2 ASN 88 1.670 -20.163 -4.442 653 H THR 89 H THR 89 -0.111 -14.990 -2.896 654 HA THR 89 HA THR 89 1.490 -15.081 -0.451 655 HB THR 89 HB THR 89 2.741 -13.896 -2.906 656 HG1 THR 89 1HG THR 89 3.059 -16.601 -2.063 657 HG21 THR 89 3HG2 THR 89 4.727 -14.003 -1.698 658 HG22 THR 89 1HG2 THR 89 4.121 -15.262 -0.622 659 HG23 THR 89 2HG2 THR 89 3.540 -13.605 -0.457 660 H MET 90 H MET 90 1.182 -13.304 0.719 661 HA MET 90 HA MET 90 -0.035 -10.971 -0.580 662 HB2 MET 90 1HB MET 90 -1.266 -11.967 1.307 663 HB3 MET 90 2HB MET 90 0.120 -11.689 2.353 664 HG2 MET 90 1HG MET 90 -1.012 -9.359 0.913 665 HG3 MET 90 2HG MET 90 -1.936 -10.031 2.255 666 HE1 MET 90 3HE MET 90 -0.782 -10.803 4.333 667 HE2 MET 90 1HE MET 90 0.982 -10.807 4.334 668 HE3 MET 90 2HE MET 90 0.103 -9.623 5.301 669 H TYR 91 H TYR 91 0.708 -8.851 -0.093 670 HA TYR 91 HA TYR 91 3.371 -8.661 1.116 671 HB2 TYR 91 1HB TYR 91 2.928 -7.024 -1.316 672 HB3 TYR 91 2HB TYR 91 4.401 -7.779 -0.719 673 HD1 TYR 91 1HD TYR 91 4.187 -10.499 -0.726 674 HD2 TYR 91 2HD TYR 91 2.157 -7.817 -3.331 675 HE1 TYR 91 1HE TYR 91 3.936 -12.303 -2.379 676 HE2 TYR 91 2HE TYR 91 1.900 -9.613 -4.990 677 HH TYR 91 HH TYR 91 1.943 -11.949 -5.197 678 H GLU 92 H GLU 92 3.983 -6.145 1.036 679 HA GLU 92 HA GLU 92 1.724 -4.798 2.334 680 HB2 GLU 92 1HB GLU 92 3.363 -4.566 3.880 681 HB3 GLU 92 2HB GLU 92 4.648 -4.776 2.698 682 HG2 GLU 92 1HG GLU 92 3.100 -2.254 2.596 683 HG3 GLU 92 2HG GLU 92 4.213 -2.478 3.944 684 H PHE 93 H PHE 93 0.726 -3.154 1.382 685 HA PHE 93 HA PHE 93 2.052 -1.854 -0.905 686 HB2 PHE 93 1HB PHE 93 -0.889 -2.348 -0.405 687 HB3 PHE 93 2HB PHE 93 -0.263 -1.366 -1.726 688 HD1 PHE 93 2HD PHE 93 -0.198 -4.786 -0.296 689 HD2 PHE 93 1HD PHE 93 0.389 -2.349 -3.736 690 HE1 PHE 93 2HE PHE 93 0.022 -6.805 -1.684 691 HE2 PHE 93 1HE PHE 93 0.608 -4.364 -5.130 692 HZ PHE 93 HZ PHE 93 0.426 -6.596 -4.104 693 H SER 94 H SER 94 1.772 0.393 -1.186 694 HA SER 94 HA SER 94 0.460 1.930 0.888 695 HB2 SER 94 1HB SER 94 2.936 1.300 1.557 696 HB3 SER 94 2HB SER 94 3.340 2.613 0.451 697 HG SER 94 HG SER 94 2.525 2.792 2.961 698 H VAL 95 H VAL 95 1.176 4.400 0.455 699 HA VAL 95 HA VAL 95 1.504 4.954 -2.373 700 HB VAL 95 HB VAL 95 -1.016 5.791 -0.930 701 HG11 VAL 95 1HG1 VAL 95 -1.641 6.975 -2.864 702 HG12 VAL 95 2HG1 VAL 95 0.037 7.433 -2.565 703 HG13 VAL 95 3HG1 VAL 95 -0.348 6.256 -3.823 704 HG21 VAL 95 3HG2 VAL 95 -0.656 3.929 -3.278 705 HG22 VAL 95 1HG2 VAL 95 -1.019 3.432 -1.625 706 HG23 VAL 95 2HG2 VAL 95 -2.187 4.391 -2.534 707 H MET 96 H MET 96 2.178 7.047 -2.801 708 HA MET 96 HA MET 96 2.253 8.992 -0.642 709 HB2 MET 96 1HB MET 96 4.661 9.323 -0.769 710 HB3 MET 96 2HB MET 96 4.300 7.665 -0.309 711 HG2 MET 96 1HG MET 96 5.974 7.375 -1.848 712 HG3 MET 96 2HG MET 96 4.533 7.180 -2.843 713 HE1 MET 96 3HE MET 96 7.713 9.335 -2.107 714 HE2 MET 96 1HE MET 96 7.249 10.903 -2.767 715 HE3 MET 96 2HE MET 96 6.425 10.268 -1.342 716 H VAL 97 H VAL 97 3.755 10.937 -1.603 717 HA VAL 97 HA VAL 97 3.138 11.343 -4.428 718 HB VAL 97 HB VAL 97 1.180 12.285 -3.490 719 HG11 VAL 97 1HG1 VAL 97 1.593 14.211 -1.726 720 HG12 VAL 97 2HG1 VAL 97 1.430 12.524 -1.232 721 HG13 VAL 97 3HG1 VAL 97 3.031 13.253 -1.375 722 HG21 VAL 97 3HG2 VAL 97 2.624 14.838 -3.602 723 HG22 VAL 97 1HG2 VAL 97 2.911 13.764 -4.971 724 HG23 VAL 97 2HG2 VAL 97 1.267 14.257 -4.566 725 H THR 98 H THR 98 4.485 12.788 -5.462 726 HA THR 98 HA THR 98 6.711 13.834 -3.836 727 HB THR 98 HB THR 98 6.771 12.968 -6.734 728 HG1 THR 98 1HG THR 98 8.207 11.795 -4.594 729 HG21 THR 98 3HG2 THR 98 8.397 14.815 -5.435 730 HG22 THR 98 1HG2 THR 98 8.753 13.978 -6.945 731 HG23 THR 98 2HG2 THR 98 9.326 13.316 -5.414 732 H LYS 99 H LYS 99 6.058 15.907 -3.481 733 HA LYS 99 HA LYS 99 5.633 17.573 -5.874 734 HB2 LYS 99 1HB LYS 99 3.604 17.199 -4.355 735 HB3 LYS 99 2HB LYS 99 4.452 18.183 -3.170 736 HG2 LYS 99 1HG LYS 99 4.623 19.890 -5.139 737 HG3 LYS 99 2HG LYS 99 3.262 18.970 -5.785 738 HD2 LYS 99 1HD LYS 99 3.198 19.900 -2.946 739 HD3 LYS 99 2HD LYS 99 2.843 21.043 -4.244 740 HE2 LYS 99 1HE LYS 99 0.739 20.259 -3.862 741 HE3 LYS 99 2HE LYS 99 1.271 19.068 -5.048 742 HZ1 LYS 99 3HZ LYS 99 0.432 18.636 -2.411 743 HZ2 LYS 99 1HZ LYS 99 2.059 18.184 -2.517 744 HZ3 LYS 99 2HZ LYS 99 0.920 17.491 -3.557 745 H ASN 100 H ASN 100 6.411 19.747 -5.754 746 HA ASN 100 HA ASN 100 7.948 21.353 -5.274 747 HB2 ASN 100 1HB ASN 100 7.406 20.174 -2.583 748 HB3 ASN 100 2HB ASN 100 8.758 21.289 -2.755 749 HD21 ASN 100 1HD2 ASN 100 6.513 21.776 -1.165 750 HD22 ASN 100 2HD2 ASN 100 5.660 23.127 -1.824 751 H ARG 101 H ARG 101 8.863 18.989 -6.453 752 HA ARG 101 HA ARG 101 10.757 17.817 -6.925 753 HB2 ARG 101 1HB ARG 101 12.075 20.154 -5.529 754 HB3 ARG 101 2HB ARG 101 12.885 18.998 -6.578 755 HG2 ARG 101 1HG ARG 101 12.549 20.688 -8.058 756 HG3 ARG 101 2HG ARG 101 11.045 19.795 -8.293 757 HD2 ARG 101 1HD ARG 101 10.029 21.308 -6.539 758 HD3 ARG 101 2HD ARG 101 11.491 22.286 -6.666 759 HE ARG 101 HE ARG 101 10.204 21.794 -9.189 760 HH11 ARG 101 1HH1 ARG 101 10.311 23.847 -6.379 761 HH12 ARG 101 2HH1 ARG 101 9.619 25.213 -7.190 762 HH21 ARG 101 1HH2 ARG 101 9.293 23.585 -10.267 763 HH22 ARG 101 2HH2 ARG 101 9.040 25.063 -9.402 764 H ARG 102 H ARG 102 9.395 17.326 -4.363 765 HA ARG 102 HA ARG 102 11.563 15.850 -3.083 766 HB2 ARG 102 1HB ARG 102 11.099 16.625 -0.889 767 HB3 ARG 102 2HB ARG 102 11.245 18.061 -1.893 768 HG2 ARG 102 1HG ARG 102 8.984 18.523 -1.795 769 HG3 ARG 102 2HG ARG 102 8.559 16.860 -1.386 770 HD2 ARG 102 1HD ARG 102 8.304 17.811 0.666 771 HD3 ARG 102 2HD ARG 102 10.019 17.410 0.755 772 HE ARG 102 HE ARG 102 8.851 20.042 0.615 773 HH11 ARG 102 1HH1 ARG 102 11.713 18.121 0.125 774 HH12 ARG 102 2HH1 ARG 102 12.798 19.463 0.284 775 HH21 ARG 102 1HH2 ARG 102 10.270 21.816 0.826 776 HH22 ARG 102 2HH2 ARG 102 11.977 21.563 0.683 777 H SER 103 H SER 103 10.916 13.966 -2.055 778 HA SER 103 HA SER 103 8.236 13.057 -2.775 779 HB2 SER 103 1HB SER 103 9.160 10.801 -2.062 780 HB3 SER 103 2HB SER 103 9.953 11.545 -3.450 781 HG SER 103 HG SER 103 10.930 11.016 -0.924 782 H SER 104 H SER 104 6.687 12.500 -1.335 783 HA SER 104 HA SER 104 7.094 13.327 1.419 784 HB2 SER 104 1HB SER 104 5.055 14.116 0.524 785 HB3 SER 104 2HB SER 104 4.667 12.553 -0.193 786 HG SER 104 HG SER 104 3.968 11.840 1.692 787 H THR 105 H THR 105 5.706 11.854 3.022 788 HA THR 105 HA THR 105 7.123 9.350 3.117 789 HB THR 105 HB THR 105 6.644 10.752 5.148 790 HG1 THR 105 1HG THR 105 7.158 8.797 5.834 791 HG21 THR 105 3HG2 THR 105 4.344 11.371 4.664 792 HG22 THR 105 1HG2 THR 105 4.423 10.498 6.193 793 HG23 THR 105 2HG2 THR 105 3.850 9.680 4.740 794 H TRP 106 H TRP 106 5.796 7.361 3.852 795 HA TRP 106 HA TRP 106 3.728 6.946 1.828 796 HB2 TRP 106 1HB TRP 106 5.157 4.938 3.585 797 HB3 TRP 106 2HB TRP 106 4.048 4.554 2.272 798 HD1 TRP 106 HD TRP 106 7.604 5.814 2.916 799 HE1 TRP 106 1HE TRP 106 8.956 5.608 0.736 800 HE3 TRP 106 3HE TRP 106 3.821 4.509 -0.265 801 HZ2 TRP 106 2HZ TRP 106 8.482 4.976 -1.974 802 HZ3 TRP 106 3HZ TRP 106 4.355 4.122 -2.636 803 HH2 TRP 106 HH TRP 106 6.637 4.352 -3.470 804 H SER 107 H SER 107 1.673 6.190 2.298 805 HA SER 107 HA SER 107 0.670 6.924 4.901 806 HB2 SER 107 1HB SER 107 -1.538 6.465 3.953 807 HB3 SER 107 2HB SER 107 -0.593 7.456 2.842 808 HG SER 107 HG SER 107 -0.636 4.645 2.618 809 H MET 108 H MET 108 -1.265 5.272 5.583 810 HA MET 108 HA MET 108 -0.063 3.177 6.908 811 HB2 MET 108 1HB MET 108 -2.400 2.217 7.080 812 HB3 MET 108 2HB MET 108 -2.212 3.877 7.629 813 HG2 MET 108 1HG MET 108 -3.257 4.738 5.700 814 HG3 MET 108 2HG MET 108 -3.162 3.188 4.868 815 HE1 MET 108 3HE MET 108 -5.500 0.932 6.647 816 HE2 MET 108 1HE MET 108 -5.762 1.522 5.005 817 HE3 MET 108 2HE MET 108 -4.126 1.182 5.570 818 H THR 109 H THR 109 0.154 0.977 6.562 819 HA THR 109 HA THR 109 0.401 0.191 3.794 820 HB THR 109 HB THR 109 1.026 -1.245 6.375 821 HG1 THR 109 1HG THR 109 2.401 0.520 5.478 822 HG21 THR 109 3HG2 THR 109 0.441 -3.002 4.920 823 HG22 THR 109 1HG2 THR 109 2.196 -2.886 4.805 824 HG23 THR 109 2HG2 THR 109 1.183 -2.210 3.530 825 H ALA 110 H ALA 110 -0.846 -1.230 2.687 826 HA ALA 110 HA ALA 110 -3.252 -2.229 4.064 827 HB1 ALA 110 3HB ALA 110 -4.356 -1.169 2.450 828 HB2 ALA 110 1HB ALA 110 -2.873 -0.859 1.546 829 HB3 ALA 110 2HB ALA 110 -3.735 -2.384 1.334 830 H HIS 111 H HIS 111 -3.402 -4.350 4.339 831 HA HIS 111 HA HIS 111 -1.571 -6.112 2.909 832 HB2 HIS 111 1HB HIS 111 -3.273 -6.388 5.364 833 HB3 HIS 111 2HB HIS 111 -2.676 -7.827 4.543 834 HD1 HIS 111 1HD HIS 111 0.142 -6.458 3.822 835 HD2 HIS 111 2HD HIS 111 -1.620 -6.738 7.574 836 HE1 HIS 111 1HE HIS 111 2.034 -6.280 5.469 837 HE2 HIS 111 2HE HIS 111 0.954 -6.537 7.729 838 H ALA 112 H ALA 112 -2.190 -7.755 1.563 839 HA ALA 112 HA ALA 112 -4.903 -8.563 1.220 840 HB1 ALA 112 3HB ALA 112 -5.606 -7.374 -0.547 841 HB2 ALA 112 1HB ALA 112 -4.372 -6.216 -0.048 842 HB3 ALA 112 2HB ALA 112 -4.019 -7.391 -1.317 843 H THR 113 H THR 113 -4.623 -10.664 0.899 844 HA THR 113 HA THR 113 -2.238 -11.667 -0.409 845 HB THR 113 HB THR 113 -4.537 -13.363 0.538 846 HG1 THR 113 1HG THR 113 -3.111 -13.422 2.533 847 HG21 THR 113 3HG2 THR 113 -3.055 -14.788 -0.474 848 HG22 THR 113 1HG2 THR 113 -2.371 -14.758 1.152 849 HG23 THR 113 2HG2 THR 113 -1.662 -13.765 -0.122 850 H THR 114 H THR 114 -2.213 -12.962 -2.265 851 HA THR 114 HA THR 114 -4.314 -12.335 -4.167 852 HB THR 114 HB THR 114 -2.786 -13.565 -5.786 853 HG1 THR 114 1HG THR 114 -0.765 -14.114 -5.074 854 HG21 THR 114 3HG2 THR 114 -2.853 -11.021 -5.205 855 HG22 THR 114 1HG2 THR 114 -1.526 -11.662 -6.174 856 HG23 THR 114 2HG2 THR 114 -1.289 -11.342 -4.456 857 H TYR 115 H TYR 115 -5.089 -14.071 -5.654 858 HA TYR 115 HA TYR 115 -6.224 -16.198 -4.129 859 HB2 TYR 115 1HB TYR 115 -6.269 -15.619 -7.096 860 HB3 TYR 115 2HB TYR 115 -7.197 -16.900 -6.325 861 HD1 TYR 115 2HD TYR 115 -9.012 -16.312 -4.724 862 HD2 TYR 115 1HD TYR 115 -6.993 -13.353 -7.020 863 HE1 TYR 115 2HE TYR 115 -10.834 -14.725 -4.268 864 HE2 TYR 115 1HE TYR 115 -8.809 -11.756 -6.569 865 HH TYR 115 HH TYR 115 -11.788 -12.720 -5.131 866 H GLU 116 H GLU 116 -5.930 -18.434 -4.386 867 HA GLU 116 HA GLU 116 -3.229 -19.236 -4.801 868 HB2 GLU 116 1HB GLU 116 -5.153 -20.243 -3.284 869 HB3 GLU 116 2HB GLU 116 -5.442 -21.236 -4.705 870 HG2 GLU 116 1HG GLU 116 -3.079 -21.953 -4.636 871 HG3 GLU 116 2HG GLU 116 -2.878 -21.036 -3.144 872 H ALA 117 H ALA 117 -2.378 -19.303 -6.778 873 HA ALA 117 HA ALA 117 -3.595 -19.398 -9.210 874 HB1 ALA 117 3HB ALA 117 -1.387 -19.062 -9.524 875 HB2 ALA 117 1HB ALA 117 -0.925 -20.157 -8.221 876 HB3 ALA 117 2HB ALA 117 -1.377 -20.805 -9.798 877 H SER 118 H SER 118 -2.422 -22.246 -7.414 878 HA SER 118 HA SER 118 -4.030 -23.953 -9.179 879 HB2 SER 118 1HB SER 118 -1.582 -24.386 -7.529 880 HB3 SER 118 2HB SER 118 -2.661 -25.758 -7.783 881 HG SER 118 HG SER 118 -2.426 -25.459 -10.017 882 H GLY 119 H GLY 119 -6.051 -23.498 -8.214 883 HA2 GLY 119 1HA GLY 119 -6.790 -25.266 -6.137 884 HA3 GLY 119 2HA GLY 119 -6.647 -23.638 -5.492 885 HA PRO 120 HA PRO 120 -10.194 -23.565 -8.801 886 HB2 PRO 120 1HB PRO 120 -11.123 -25.992 -9.585 887 HB3 PRO 120 2HB PRO 120 -9.826 -25.140 -10.432 888 HG2 PRO 120 1HG PRO 120 -9.643 -27.359 -8.431 889 HG3 PRO 120 2HG PRO 120 -8.746 -27.141 -9.945 890 HD2 PRO 120 1HD PRO 120 -7.687 -26.545 -7.525 891 HD3 PRO 120 2HD PRO 120 -7.265 -25.650 -8.999 892 H SER 121 H SER 121 -9.884 -25.620 -6.091 893 HA SER 121 HA SER 121 -12.758 -25.319 -5.505 894 HB2 SER 121 1HB SER 121 -12.115 -27.682 -5.905 895 HB3 SER 121 2HB SER 121 -10.947 -27.567 -4.589 896 HG SER 121 HG SER 121 -13.138 -28.448 -4.114 897 H SER 122 H SER 122 -13.156 -24.014 -3.858 898 HA SER 122 HA SER 122 -11.131 -23.767 -1.731 899 HB2 SER 122 1HB SER 122 -11.249 -21.745 -3.184 900 HB3 SER 122 2HB SER 122 -12.945 -21.561 -2.736 901 HG SER 122 HG SER 122 -11.060 -21.785 -0.687 902 H GLY 123 H GLY 123 -13.142 -25.654 -1.571 903 HA2 GLY 123 1HA GLY 123 -14.546 -24.709 0.793 904 HA3 GLY 123 2HA GLY 123 -15.571 -25.198 -0.548 Start of MODEL 8 1 H1 GLY 1 H GLY 1 4.272 26.721 37.433 2 HA2 GLY 1 1HA GLY 1 2.994 24.827 36.513 3 HA3 GLY 1 2HA GLY 1 4.456 24.248 37.298 4 H SER 2 H SER 2 1.450 23.382 36.912 5 HA SER 2 HA SER 2 1.202 22.318 39.645 6 HB2 SER 2 1HB SER 2 -1.124 22.703 39.703 7 HB3 SER 2 2HB SER 2 -0.455 24.193 39.036 8 HG SER 2 HG SER 2 -1.754 22.085 37.666 9 H SER 3 H SER 3 -0.054 20.315 39.780 10 HA SER 3 HA SER 3 0.162 18.733 37.302 11 HB2 SER 3 1HB SER 3 0.834 18.067 40.146 12 HB3 SER 3 2HB SER 3 0.334 16.779 39.050 13 HG SER 3 HG SER 3 2.336 16.806 38.426 14 H GLY 4 H GLY 4 -1.556 17.528 36.667 15 HA2 GLY 4 1HA GLY 4 -3.545 16.268 37.793 16 HA3 GLY 4 2HA GLY 4 -4.033 17.908 38.193 17 H SER 5 H SER 5 -2.613 16.553 35.229 18 HA SER 5 HA SER 5 -5.103 17.112 33.800 19 HB2 SER 5 1HB SER 5 -3.663 19.142 33.614 20 HB3 SER 5 2HB SER 5 -2.421 18.149 32.851 21 HG SER 5 HG SER 5 -3.871 19.299 31.389 22 H SER 6 H SER 6 -5.011 16.259 31.527 23 HA SER 6 HA SER 6 -4.231 13.547 31.563 24 HB2 SER 6 1HB SER 6 -5.039 13.452 29.288 25 HB3 SER 6 2HB SER 6 -6.124 14.486 30.218 26 HG SER 6 HG SER 6 -5.575 16.125 29.017 27 H GLY 7 H GLY 7 -2.700 12.452 30.228 28 HA2 GLY 7 1HA GLY 7 -0.222 13.952 29.958 29 HA3 GLY 7 2HA GLY 7 -0.408 12.210 29.821 30 H PHE 8 H PHE 8 -0.171 11.391 27.857 31 HA PHE 8 HA PHE 8 0.153 11.278 25.603 32 HB2 PHE 8 1HB PHE 8 -2.416 12.754 25.950 33 HB3 PHE 8 2HB PHE 8 -1.731 12.652 24.332 34 HD1 PHE 8 1HD PHE 8 -2.636 10.513 27.240 35 HD2 PHE 8 2HD PHE 8 -2.190 10.812 23.018 36 HE1 PHE 8 1HE PHE 8 -3.598 8.263 26.983 37 HE2 PHE 8 2HE PHE 8 -3.152 8.562 22.753 38 HZ PHE 8 HZ PHE 8 -3.858 7.285 24.737 39 HA PRO 9 HA PRO 9 2.048 15.613 25.601 40 HB2 PRO 9 1HB PRO 9 4.619 14.847 26.015 41 HB3 PRO 9 2HB PRO 9 3.507 15.230 27.334 42 HG2 PRO 9 1HG PRO 9 4.305 12.559 26.244 43 HG3 PRO 9 2HG PRO 9 4.117 13.067 27.932 44 HD2 PRO 9 1HD PRO 9 2.222 11.647 26.618 45 HD3 PRO 9 2HD PRO 9 1.825 12.832 27.878 46 H THR 10 H THR 10 2.126 12.742 23.897 47 HA THR 10 HA THR 10 4.201 13.053 22.066 48 HB THR 10 HB THR 10 2.809 11.685 20.510 49 HG1 THR 10 1HG THR 10 0.760 12.559 21.238 50 HG21 THR 10 3HG2 THR 10 4.208 10.613 22.211 51 HG22 THR 10 1HG2 THR 10 2.730 9.693 21.933 52 HG23 THR 10 2HG2 THR 10 2.881 10.708 23.368 53 H SER 11 H SER 11 4.246 15.366 21.716 54 HA SER 11 HA SER 11 2.635 16.114 19.406 55 HB2 SER 11 1HB SER 11 2.603 17.556 22.043 56 HB3 SER 11 2HB SER 11 2.336 18.439 20.540 57 HG SER 11 HG SER 11 0.539 17.204 20.143 58 H VAL 12 H VAL 12 3.676 17.457 17.998 59 HA VAL 12 HA VAL 12 6.410 18.264 18.750 60 HB VAL 12 HB VAL 12 6.822 18.214 16.228 61 HG11 VAL 12 1HG1 VAL 12 7.916 16.574 17.459 62 HG12 VAL 12 2HG1 VAL 12 6.409 15.792 17.940 63 HG13 VAL 12 3HG1 VAL 12 6.993 15.640 16.282 64 HG21 VAL 12 3HG2 VAL 12 4.449 18.106 15.576 65 HG22 VAL 12 1HG2 VAL 12 5.388 16.770 14.909 66 HG23 VAL 12 2HG2 VAL 12 4.339 16.501 16.300 67 HA PRO 13 HA PRO 13 4.685 22.359 18.174 68 HB2 PRO 13 1HB PRO 13 6.914 23.677 18.990 69 HB3 PRO 13 2HB PRO 13 5.769 22.937 20.116 70 HG2 PRO 13 1HG PRO 13 8.391 21.890 19.118 71 HG3 PRO 13 2HG PRO 13 7.727 21.861 20.762 72 HD2 PRO 13 1HD PRO 13 7.660 19.705 19.126 73 HD3 PRO 13 2HD PRO 13 6.394 20.032 20.327 74 H ASP 14 H ASP 14 4.496 22.871 16.067 75 HA ASP 14 HA ASP 14 6.801 23.961 14.703 76 HB2 ASP 14 1HB ASP 14 5.329 21.550 13.630 77 HB3 ASP 14 2HB ASP 14 6.378 22.569 12.648 78 H LEU 15 H LEU 15 6.255 25.566 13.315 79 HA LEU 15 HA LEU 15 3.607 26.580 13.387 80 HB2 LEU 15 1HB LEU 15 5.825 27.368 11.508 81 HB3 LEU 15 2HB LEU 15 4.413 28.327 11.946 82 HG LEU 15 HG LEU 15 6.297 27.514 14.104 83 HD11 LEU 15 1HD1 LEU 15 7.979 28.908 13.541 84 HD12 LEU 15 2HD1 LEU 15 6.910 30.048 12.725 85 HD13 LEU 15 3HD1 LEU 15 7.415 28.571 11.905 86 HD21 LEU 15 3HD2 LEU 15 4.239 29.563 13.593 87 HD22 LEU 15 1HD2 LEU 15 5.644 30.089 14.521 88 HD23 LEU 15 2HD2 LEU 15 4.671 28.730 15.087 89 H SER 16 H SER 16 5.543 25.123 10.781 90 HA SER 16 HA SER 16 3.041 24.693 9.285 91 HB2 SER 16 1HB SER 16 5.859 25.184 8.330 92 HB3 SER 16 2HB SER 16 4.623 24.497 7.276 93 HG SER 16 HG SER 16 3.347 26.422 7.942 94 H THR 17 H THR 17 3.290 22.776 7.700 95 HA THR 17 HA THR 17 4.710 20.557 9.008 96 HB THR 17 HB THR 17 2.776 19.073 8.499 97 HG1 THR 17 1HG THR 17 1.152 21.356 8.236 98 HG21 THR 17 3HG2 THR 17 1.266 20.030 10.296 99 HG22 THR 17 1HG2 THR 17 2.359 21.412 10.352 100 HG23 THR 17 2HG2 THR 17 2.955 19.801 10.750 101 HA PRO 18 HA PRO 18 6.163 19.549 4.984 102 HB2 PRO 18 1HB PRO 18 6.569 16.880 5.275 103 HB3 PRO 18 2HB PRO 18 7.612 18.098 6.019 104 HG2 PRO 18 1HG PRO 18 5.375 16.523 7.234 105 HG3 PRO 18 2HG PRO 18 6.970 16.905 7.909 106 HD2 PRO 18 1HD PRO 18 4.731 18.262 8.602 107 HD3 PRO 18 2HD PRO 18 6.332 19.028 8.543 108 H MET 19 H MET 19 5.851 17.452 3.413 109 HA MET 19 HA MET 19 3.418 17.723 2.183 110 HB2 MET 19 1HB MET 19 5.201 15.283 2.235 111 HB3 MET 19 2HB MET 19 3.886 15.531 1.095 112 HG2 MET 19 1HG MET 19 5.210 17.785 0.648 113 HG3 MET 19 2HG MET 19 6.554 16.805 1.228 114 HE1 MET 19 3HE MET 19 3.487 16.831 -1.034 115 HE2 MET 19 1HE MET 19 3.919 15.807 -2.403 116 HE3 MET 19 2HE MET 19 3.521 15.077 -0.848 117 H LEU 20 H LEU 20 1.724 15.989 1.876 118 HA LEU 20 HA LEU 20 1.091 14.675 4.433 119 HB2 LEU 20 1HB LEU 20 -0.206 16.831 3.824 120 HB3 LEU 20 2HB LEU 20 -1.034 15.808 2.653 121 HG LEU 20 HG LEU 20 -2.378 16.009 4.638 122 HD11 LEU 20 1HD1 LEU 20 -1.285 13.276 4.996 123 HD12 LEU 20 2HD1 LEU 20 -1.887 13.716 3.398 124 HD13 LEU 20 3HD1 LEU 20 -2.952 13.816 4.800 125 HD21 LEU 20 3HD2 LEU 20 -0.588 16.566 6.214 126 HD22 LEU 20 1HD2 LEU 20 -0.008 14.902 6.140 127 HD23 LEU 20 2HD2 LEU 20 -1.599 15.251 6.817 128 HA PRO 21 HA PRO 21 0.926 11.192 1.629 129 HB2 PRO 21 1HB PRO 21 0.531 9.333 3.567 130 HB3 PRO 21 2HB PRO 21 2.115 10.038 3.220 131 HG2 PRO 21 1HG PRO 21 0.160 10.738 5.377 132 HG3 PRO 21 2HG PRO 21 1.922 10.563 5.477 133 HD2 PRO 21 1HD PRO 21 0.704 12.976 5.312 134 HD3 PRO 21 2HD PRO 21 2.306 12.665 4.612 135 HA PRO 22 HA PRO 22 -3.379 10.475 1.069 136 HB2 PRO 22 1HB PRO 22 -3.376 7.935 0.110 137 HB3 PRO 22 2HB PRO 22 -2.820 9.320 -0.837 138 HG2 PRO 22 1HG PRO 22 -1.219 7.307 0.695 139 HG3 PRO 22 2HG PRO 22 -0.918 7.985 -0.916 140 HD2 PRO 22 1HD PRO 22 0.379 8.855 1.295 141 HD3 PRO 22 2HD PRO 22 -0.006 9.924 -0.069 142 H VAL 23 H VAL 23 -5.053 8.564 1.431 143 HA VAL 23 HA VAL 23 -4.540 7.081 3.879 144 HB VAL 23 HB VAL 23 -6.555 7.940 5.007 145 HG11 VAL 23 1HG1 VAL 23 -4.474 10.008 4.310 146 HG12 VAL 23 2HG1 VAL 23 -5.626 10.153 5.639 147 HG13 VAL 23 3HG1 VAL 23 -4.426 8.860 5.648 148 HG21 VAL 23 3HG2 VAL 23 -7.648 9.965 4.229 149 HG22 VAL 23 1HG2 VAL 23 -6.583 10.023 2.825 150 HG23 VAL 23 2HG2 VAL 23 -7.746 8.708 2.996 151 H GLY 24 H GLY 24 -6.925 6.118 4.523 152 HA2 GLY 24 1HA GLY 24 -8.360 4.418 3.932 153 HA3 GLY 24 2HA GLY 24 -8.821 5.511 2.635 154 H VAL 25 H VAL 25 -5.593 4.208 2.894 155 HA VAL 25 HA VAL 25 -5.550 3.257 0.259 156 HB VAL 25 HB VAL 25 -3.762 2.102 2.372 157 HG11 VAL 25 1HG1 VAL 25 -2.205 2.815 0.277 158 HG12 VAL 25 2HG1 VAL 25 -2.972 1.236 0.449 159 HG13 VAL 25 3HG1 VAL 25 -3.729 2.482 -0.544 160 HG21 VAL 25 3HG2 VAL 25 -2.520 4.418 1.422 161 HG22 VAL 25 1HG2 VAL 25 -4.160 4.906 1.850 162 HG23 VAL 25 2HG2 VAL 25 -3.131 4.125 3.050 163 H GLN 26 H GLN 26 -6.763 1.659 -0.511 164 HA GLN 26 HA GLN 26 -7.167 -0.730 1.165 165 HB2 GLN 26 1HB GLN 26 -9.269 0.363 0.714 166 HB3 GLN 26 2HB GLN 26 -8.911 0.441 -1.006 167 HG2 GLN 26 1HG GLN 26 -9.060 -1.956 -1.192 168 HG3 GLN 26 2HG GLN 26 -9.284 -2.107 0.551 169 HE21 GLN 26 1HE2 GLN 26 -10.701 -0.368 -2.202 170 HE22 GLN 26 2HE2 GLN 26 -12.344 -0.610 -1.727 171 H ALA 27 H ALA 27 -6.191 -2.523 0.516 172 HA ALA 27 HA ALA 27 -5.119 -2.646 -2.208 173 HB1 ALA 27 3HB ALA 27 -4.439 -4.112 0.324 174 HB2 ALA 27 1HB ALA 27 -3.842 -4.631 -1.253 175 HB3 ALA 27 2HB ALA 27 -3.422 -3.034 -0.632 176 H VAL 28 H VAL 28 -6.776 -3.347 -3.482 177 HA VAL 28 HA VAL 28 -8.325 -5.683 -2.673 178 HB VAL 28 HB VAL 28 -8.589 -4.062 -5.206 179 HG11 VAL 28 1HG1 VAL 28 -9.924 -6.416 -4.130 180 HG12 VAL 28 2HG1 VAL 28 -11.043 -5.122 -4.563 181 HG13 VAL 28 3HG1 VAL 28 -9.925 -5.762 -5.768 182 HG21 VAL 28 3HG2 VAL 28 -10.343 -3.788 -2.786 183 HG22 VAL 28 1HG2 VAL 28 -8.889 -2.810 -2.991 184 HG23 VAL 28 2HG2 VAL 28 -10.195 -2.709 -4.173 185 H ALA 29 H ALA 29 -8.144 -7.669 -3.560 186 HA ALA 29 HA ALA 29 -5.924 -8.089 -5.426 187 HB1 ALA 29 3HB ALA 29 -6.016 -10.428 -4.735 188 HB2 ALA 29 1HB ALA 29 -5.861 -9.359 -3.342 189 HB3 ALA 29 2HB ALA 29 -7.423 -10.082 -3.729 190 H LEU 30 H LEU 30 -6.454 -8.159 -7.505 191 HA LEU 30 HA LEU 30 -9.123 -8.778 -8.378 192 HB2 LEU 30 1HB LEU 30 -6.680 -8.470 -10.104 193 HB3 LEU 30 2HB LEU 30 -8.366 -8.252 -10.567 194 HG LEU 30 HG LEU 30 -7.082 -6.460 -8.533 195 HD11 LEU 30 1HD1 LEU 30 -5.741 -6.581 -10.694 196 HD12 LEU 30 2HD1 LEU 30 -6.301 -4.990 -10.182 197 HD13 LEU 30 3HD1 LEU 30 -7.144 -5.847 -11.471 198 HD21 LEU 30 3HD2 LEU 30 -9.174 -5.696 -8.508 199 HD22 LEU 30 1HD2 LEU 30 -9.619 -6.643 -9.928 200 HD23 LEU 30 2HD2 LEU 30 -8.862 -5.062 -10.125 201 H THR 31 H THR 31 -5.925 -10.264 -8.885 202 HA THR 31 HA THR 31 -7.188 -12.888 -8.983 203 HB THR 31 HB THR 31 -6.940 -11.846 -11.364 204 HG1 THR 31 1HG THR 31 -7.241 -14.178 -10.614 205 HG21 THR 31 3HG2 THR 31 -4.299 -13.070 -11.557 206 HG22 THR 31 1HG2 THR 31 -4.314 -11.613 -10.565 207 HG23 THR 31 2HG2 THR 31 -4.893 -11.553 -12.230 208 H HIS 32 H HIS 32 -5.347 -14.600 -9.344 209 HA HIS 32 HA HIS 32 -3.727 -14.686 -7.159 210 HB2 HIS 32 1HB HIS 32 -2.289 -16.290 -8.472 211 HB3 HIS 32 2HB HIS 32 -4.011 -16.657 -8.478 212 HD1 HIS 32 1HD HIS 32 -5.314 -16.042 -10.723 213 HD2 HIS 32 2HD HIS 32 -1.167 -15.917 -10.945 214 HE1 HIS 32 1HE HIS 32 -4.771 -16.053 -13.179 215 HE2 HIS 32 2HE HIS 32 -2.255 -16.063 -13.287 216 H ASP 33 H ASP 33 -2.826 -13.452 -10.366 217 HA ASP 33 HA ASP 33 -0.456 -12.209 -9.132 218 HB2 ASP 33 1HB ASP 33 0.653 -12.320 -11.246 219 HB3 ASP 33 2HB ASP 33 -0.052 -13.908 -10.953 220 H ALA 34 H ALA 34 -2.919 -10.964 -8.860 221 HA ALA 34 HA ALA 34 -2.380 -8.460 -10.208 222 HB1 ALA 34 3HB ALA 34 -5.120 -9.661 -10.523 223 HB2 ALA 34 1HB ALA 34 -4.473 -8.206 -11.281 224 HB3 ALA 34 2HB ALA 34 -3.864 -9.792 -11.755 225 H VAL 35 H VAL 35 -2.855 -6.772 -8.929 226 HA VAL 35 HA VAL 35 -4.853 -7.057 -6.820 227 HB VAL 35 HB VAL 35 -1.933 -6.580 -6.347 228 HG11 VAL 35 1HG1 VAL 35 -4.206 -5.581 -4.640 229 HG12 VAL 35 2HG1 VAL 35 -2.543 -5.746 -4.071 230 HG13 VAL 35 3HG1 VAL 35 -2.921 -4.629 -5.383 231 HG21 VAL 35 3HG2 VAL 35 -3.969 -8.521 -5.564 232 HG22 VAL 35 1HG2 VAL 35 -2.213 -8.678 -5.620 233 HG23 VAL 35 2HG2 VAL 35 -2.989 -7.944 -4.217 234 H ARG 36 H ARG 36 -6.145 -5.358 -6.984 235 HA ARG 36 HA ARG 36 -5.186 -2.910 -8.231 236 HB2 ARG 36 1HB ARG 36 -7.298 -3.681 -9.037 237 HB3 ARG 36 2HB ARG 36 -7.926 -3.861 -7.404 238 HG2 ARG 36 1HG ARG 36 -8.904 -1.915 -8.364 239 HG3 ARG 36 2HG ARG 36 -7.749 -1.392 -7.137 240 HD2 ARG 36 1HD ARG 36 -7.284 0.029 -8.905 241 HD3 ARG 36 2HD ARG 36 -6.085 -1.247 -9.112 242 HE ARG 36 HE ARG 36 -7.090 -1.818 -11.086 243 HH11 ARG 36 1HH1 ARG 36 -9.263 0.178 -9.239 244 HH12 ARG 36 2HH1 ARG 36 -10.418 0.334 -10.521 245 HH21 ARG 36 1HH2 ARG 36 -8.603 -1.621 -12.782 246 HH22 ARG 36 2HH2 ARG 36 -10.042 -0.691 -12.535 247 H VAL 37 H VAL 37 -4.228 -1.457 -6.973 248 HA VAL 37 HA VAL 37 -5.054 -1.201 -4.173 249 HB VAL 37 HB VAL 37 -2.665 0.017 -5.564 250 HG11 VAL 37 1HG1 VAL 37 -1.906 0.709 -3.451 251 HG12 VAL 37 2HG1 VAL 37 -3.615 1.149 -3.486 252 HG13 VAL 37 3HG1 VAL 37 -3.090 -0.287 -2.606 253 HG21 VAL 37 3HG2 VAL 37 -1.670 -1.961 -5.383 254 HG22 VAL 37 1HG2 VAL 37 -1.913 -1.909 -3.637 255 HG23 VAL 37 2HG2 VAL 37 -3.130 -2.652 -4.675 256 H SER 38 H SER 38 -6.717 0.162 -3.944 257 HA SER 38 HA SER 38 -6.598 2.740 -5.369 258 HB2 SER 38 1HB SER 38 -8.998 2.815 -5.362 259 HB3 SER 38 2HB SER 38 -8.526 1.227 -5.964 260 HG SER 38 HG SER 38 -10.215 1.182 -4.364 261 H TRP 39 H TRP 39 -6.614 4.572 -4.205 262 HA TRP 39 HA TRP 39 -7.209 4.387 -1.329 263 HB2 TRP 39 1HB TRP 39 -5.351 6.015 -0.933 264 HB3 TRP 39 2HB TRP 39 -4.808 4.441 -1.508 265 HD1 TRP 39 HD TRP 39 -4.813 8.106 -2.416 266 HE1 TRP 39 1HE TRP 39 -3.441 8.454 -4.566 267 HE3 TRP 39 3HE TRP 39 -4.183 3.218 -3.777 268 HZ2 TRP 39 2HZ TRP 39 -2.250 6.866 -6.573 269 HZ3 TRP 39 3HZ TRP 39 -2.915 2.718 -5.826 270 HH2 TRP 39 HH TRP 39 -1.970 4.506 -7.194 271 H ALA 40 H ALA 40 -7.362 6.714 -0.387 272 HA ALA 40 HA ALA 40 -8.949 8.341 -2.265 273 HB1 ALA 40 3HB ALA 40 -9.333 8.091 0.716 274 HB2 ALA 40 1HB ALA 40 -10.321 9.042 -0.393 275 HB3 ALA 40 2HB ALA 40 -10.308 7.282 -0.511 276 H ASP 41 H ASP 41 -8.830 10.614 -2.072 277 HA ASP 41 HA ASP 41 -6.321 11.544 -0.856 278 HB2 ASP 41 1HB ASP 41 -6.614 13.513 -2.405 279 HB3 ASP 41 2HB ASP 41 -6.354 11.967 -3.208 280 H ASN 42 H ASN 42 -6.356 12.902 0.815 281 HA ASN 42 HA ASN 42 -8.874 14.308 1.416 282 HB2 ASN 42 1HB ASN 42 -7.056 12.744 3.215 283 HB3 ASN 42 2HB ASN 42 -7.988 14.085 3.873 284 HD21 ASN 42 1HD2 ASN 42 -8.981 12.425 5.184 285 HD22 ASN 42 2HD2 ASN 42 -10.293 11.506 4.537 286 H SER 43 H SER 43 -5.433 14.418 1.162 287 HA SER 43 HA SER 43 -5.187 17.005 2.436 288 HB2 SER 43 1HB SER 43 -2.821 16.837 1.891 289 HB3 SER 43 2HB SER 43 -3.373 15.309 2.577 290 HG SER 43 HG SER 43 -2.302 14.676 0.814 291 H VAL 44 H VAL 44 -7.026 17.069 0.351 292 HA VAL 44 HA VAL 44 -5.693 18.942 -1.468 293 HB VAL 44 HB VAL 44 -5.811 16.959 -2.795 294 HG11 VAL 44 1HG1 VAL 44 -7.539 15.848 -1.347 295 HG12 VAL 44 2HG1 VAL 44 -8.761 16.775 -2.220 296 HG13 VAL 44 3HG1 VAL 44 -7.750 15.614 -3.082 297 HG21 VAL 44 3HG2 VAL 44 -6.530 18.086 -4.576 298 HG22 VAL 44 1HG2 VAL 44 -8.197 18.053 -4.001 299 HG23 VAL 44 2HG2 VAL 44 -7.105 19.332 -3.469 300 HA PRO 45 HA PRO 45 -9.270 21.185 0.078 301 HB2 PRO 45 1HB PRO 45 -8.447 23.597 -0.858 302 HB3 PRO 45 2HB PRO 45 -7.814 22.876 0.627 303 HG2 PRO 45 1HG PRO 45 -6.619 22.916 -2.118 304 HG3 PRO 45 2HG PRO 45 -5.833 23.183 -0.551 305 HD2 PRO 45 1HD PRO 45 -5.683 20.825 -1.873 306 HD3 PRO 45 2HD PRO 45 -5.682 20.927 -0.101 307 H LYS 46 H LYS 46 -11.142 21.101 -0.976 308 HA LYS 46 HA LYS 46 -11.393 20.874 -3.769 309 HB2 LYS 46 1HB LYS 46 -13.050 20.080 -2.049 310 HB3 LYS 46 2HB LYS 46 -13.545 21.754 -1.841 311 HG2 LYS 46 1HG LYS 46 -13.560 20.636 -4.589 312 HG3 LYS 46 2HG LYS 46 -14.816 20.108 -3.467 313 HD2 LYS 46 1HD LYS 46 -14.246 23.021 -3.682 314 HD3 LYS 46 2HD LYS 46 -15.131 22.242 -4.995 315 HE2 LYS 46 1HE LYS 46 -16.778 23.032 -3.511 316 HE3 LYS 46 2HE LYS 46 -16.664 21.299 -3.205 317 HZ1 LYS 46 3HZ LYS 46 -15.263 23.359 -1.592 318 HZ2 LYS 46 1HZ LYS 46 -15.380 21.705 -1.256 319 HZ3 LYS 46 2HZ LYS 46 -16.757 22.685 -1.171 320 H ASN 47 H ASN 47 -12.468 22.334 -5.248 321 HA ASN 47 HA ASN 47 -12.742 24.333 -6.298 322 HB2 ASN 47 1HB ASN 47 -14.251 24.869 -4.451 323 HB3 ASN 47 2HB ASN 47 -12.888 25.400 -3.469 324 HD21 ASN 47 1HD2 ASN 47 -14.359 26.008 -6.638 325 HD22 ASN 47 2HD2 ASN 47 -14.129 27.720 -6.606 326 H GLN 48 H GLN 48 -10.222 23.494 -6.336 327 HA GLN 48 HA GLN 48 -8.528 25.726 -5.475 328 HB2 GLN 48 1HB GLN 48 -8.045 22.859 -6.108 329 HB3 GLN 48 2HB GLN 48 -6.741 23.994 -6.432 330 HG2 GLN 48 1HG GLN 48 -8.111 23.915 -3.771 331 HG3 GLN 48 2HG GLN 48 -6.793 22.813 -4.164 332 HE21 GLN 48 1HE2 GLN 48 -4.952 23.479 -3.351 333 HE22 GLN 48 2HE2 GLN 48 -4.413 25.116 -3.239 334 H LYS 49 H LYS 49 -7.937 27.227 -6.883 335 HA LYS 49 HA LYS 49 -8.552 26.925 -9.686 336 HB2 LYS 49 1HB LYS 49 -8.674 29.058 -8.117 337 HB3 LYS 49 2HB LYS 49 -7.007 29.255 -8.641 338 HG2 LYS 49 1HG LYS 49 -7.589 29.764 -10.775 339 HG3 LYS 49 2HG LYS 49 -9.040 28.759 -10.737 340 HD2 LYS 49 1HD LYS 49 -8.965 31.154 -8.981 341 HD3 LYS 49 2HD LYS 49 -9.157 31.413 -10.716 342 HE2 LYS 49 1HE LYS 49 -10.874 29.520 -9.123 343 HE3 LYS 49 2HE LYS 49 -11.294 31.210 -9.394 344 HZ1 LYS 49 3HZ LYS 49 -12.283 29.550 -10.983 345 HZ2 LYS 49 1HZ LYS 49 -10.729 29.338 -11.617 346 HZ3 LYS 49 2HZ LYS 49 -11.475 30.854 -11.696 347 H THR 50 H THR 50 -5.579 27.846 -7.937 348 HA THR 50 HA THR 50 -4.022 26.742 -10.176 349 HB THR 50 HB THR 50 -2.132 28.083 -9.302 350 HG1 THR 50 1HG THR 50 -4.106 28.960 -7.445 351 HG21 THR 50 3HG2 THR 50 -3.529 30.382 -9.599 352 HG22 THR 50 1HG2 THR 50 -4.664 29.224 -10.291 353 HG23 THR 50 2HG2 THR 50 -3.030 29.354 -10.942 354 H SER 51 H SER 51 -2.945 24.909 -9.883 355 HA SER 51 HA SER 51 -2.058 24.179 -7.184 356 HB2 SER 51 1HB SER 51 -2.838 21.880 -7.477 357 HB3 SER 51 2HB SER 51 -4.191 23.002 -7.614 358 HG SER 51 HG SER 51 -3.692 22.861 -9.981 359 H GLU 52 H GLU 52 -0.219 22.867 -7.099 360 HA GLU 52 HA GLU 52 1.448 23.022 -9.469 361 HB2 GLU 52 1HB GLU 52 2.186 23.587 -7.075 362 HB3 GLU 52 2HB GLU 52 2.249 21.849 -6.815 363 HG2 GLU 52 1HG GLU 52 4.433 22.421 -7.351 364 HG3 GLU 52 2HG GLU 52 3.780 21.778 -8.857 365 H VAL 53 H VAL 53 2.316 21.299 -10.572 366 HA VAL 53 HA VAL 53 0.797 18.978 -10.835 367 HB VAL 53 HB VAL 53 3.691 19.409 -11.590 368 HG11 VAL 53 1HG1 VAL 53 3.758 17.313 -12.317 369 HG12 VAL 53 2HG1 VAL 53 2.168 17.037 -11.603 370 HG13 VAL 53 3HG1 VAL 53 2.303 17.569 -13.280 371 HG21 VAL 53 3HG2 VAL 53 1.412 19.476 -13.513 372 HG22 VAL 53 1HG2 VAL 53 1.743 20.894 -12.517 373 HG23 VAL 53 2HG2 VAL 53 2.984 20.269 -13.603 374 H ARG 54 H ARG 54 0.747 17.079 -9.806 375 HA ARG 54 HA ARG 54 2.932 16.445 -7.936 376 HB2 ARG 54 1HB ARG 54 1.090 15.340 -6.532 377 HB3 ARG 54 2HB ARG 54 1.201 17.094 -6.495 378 HG2 ARG 54 1HG ARG 54 -1.075 16.684 -6.689 379 HG3 ARG 54 2HG ARG 54 -0.575 17.052 -8.341 380 HD2 ARG 54 1HD ARG 54 -0.835 14.888 -9.048 381 HD3 ARG 54 2HD ARG 54 -0.527 14.216 -7.447 382 HE ARG 54 HE ARG 54 -2.906 15.584 -7.240 383 HH11 ARG 54 1HH1 ARG 54 -1.666 12.938 -9.132 384 HH12 ARG 54 2HH1 ARG 54 -3.205 12.160 -9.293 385 HH21 ARG 54 1HH2 ARG 54 -4.939 14.569 -7.445 386 HH22 ARG 54 2HH2 ARG 54 -5.067 13.089 -8.333 387 H LEU 55 H LEU 55 3.251 14.182 -7.511 388 HA LEU 55 HA LEU 55 2.068 12.388 -9.519 389 HB2 LEU 55 1HB LEU 55 4.233 12.924 -10.356 390 HB3 LEU 55 2HB LEU 55 4.970 12.674 -8.776 391 HG LEU 55 HG LEU 55 3.994 10.211 -9.201 392 HD11 LEU 55 1HD1 LEU 55 4.812 9.899 -11.721 393 HD12 LEU 55 2HD1 LEU 55 4.148 11.527 -11.845 394 HD13 LEU 55 3HD1 LEU 55 3.128 10.199 -11.293 395 HD21 LEU 55 3HD2 LEU 55 6.599 11.288 -10.275 396 HD22 LEU 55 1HD2 LEU 55 6.246 9.594 -9.932 397 HD23 LEU 55 2HD2 LEU 55 6.292 10.768 -8.617 398 H TYR 56 H TYR 56 1.661 10.309 -8.858 399 HA TYR 56 HA TYR 56 2.060 9.789 -5.987 400 HB2 TYR 56 1HB TYR 56 -0.132 9.042 -7.897 401 HB3 TYR 56 2HB TYR 56 0.143 8.082 -6.447 402 HD1 TYR 56 1HD TYR 56 0.295 11.770 -7.009 403 HD2 TYR 56 2HD TYR 56 -1.591 8.540 -4.980 404 HE1 TYR 56 1HE TYR 56 -1.033 13.375 -5.701 405 HE2 TYR 56 2HE TYR 56 -2.925 10.136 -3.668 406 HH TYR 56 HH TYR 56 -3.273 13.337 -4.467 407 H THR 57 H THR 57 3.284 8.125 -5.389 408 HA THR 57 HA THR 57 4.145 6.223 -7.465 409 HB THR 57 HB THR 57 5.576 6.716 -4.858 410 HG1 THR 57 1HG THR 57 6.983 7.969 -6.491 411 HG21 THR 57 3HG2 THR 57 6.747 5.802 -7.467 412 HG22 THR 57 1HG2 THR 57 5.992 4.662 -6.355 413 HG23 THR 57 2HG2 THR 57 7.389 5.606 -5.837 414 H VAL 58 H VAL 58 4.305 4.006 -6.962 415 HA VAL 58 HA VAL 58 2.931 3.146 -4.507 416 HB VAL 58 HB VAL 58 2.457 1.913 -7.223 417 HG11 VAL 58 1HG1 VAL 58 0.855 1.474 -4.724 418 HG12 VAL 58 2HG1 VAL 58 0.910 0.494 -6.191 419 HG13 VAL 58 3HG1 VAL 58 2.286 0.510 -5.086 420 HG21 VAL 58 3HG2 VAL 58 1.421 4.309 -6.264 421 HG22 VAL 58 1HG2 VAL 58 0.791 3.342 -7.597 422 HG23 VAL 58 2HG2 VAL 58 0.149 3.124 -5.969 423 H ARG 59 H ARG 59 4.074 1.711 -3.396 424 HA ARG 59 HA ARG 59 5.931 -0.054 -4.839 425 HB2 ARG 59 1HB ARG 59 7.660 0.292 -3.230 426 HB3 ARG 59 2HB ARG 59 7.124 1.879 -3.763 427 HG2 ARG 59 1HG ARG 59 6.140 2.378 -1.748 428 HG3 ARG 59 2HG ARG 59 5.921 0.681 -1.315 429 HD2 ARG 59 1HD ARG 59 7.658 1.243 0.070 430 HD3 ARG 59 2HD ARG 59 8.546 0.668 -1.341 431 HE ARG 59 HE ARG 59 8.356 3.401 -0.387 432 HH11 ARG 59 1HH1 ARG 59 9.267 1.248 -2.968 433 HH12 ARG 59 2HH1 ARG 59 10.337 2.387 -3.716 434 HH21 ARG 59 1HH2 ARG 59 9.762 4.909 -1.363 435 HH22 ARG 59 2HH2 ARG 59 10.619 4.469 -2.801 436 H TRP 60 H TRP 60 6.193 -2.108 -3.991 437 HA TRP 60 HA TRP 60 4.836 -2.812 -1.517 438 HB2 TRP 60 1HB TRP 60 3.613 -4.691 -2.667 439 HB3 TRP 60 2HB TRP 60 3.018 -3.078 -3.050 440 HD1 TRP 60 HD TRP 60 4.418 -6.173 -4.645 441 HE1 TRP 60 1HE TRP 60 4.568 -5.844 -7.193 442 HE3 TRP 60 3HE TRP 60 3.506 -1.148 -4.868 443 HZ2 TRP 60 2HZ TRP 60 4.331 -3.732 -9.052 444 HZ3 TRP 60 3HZ TRP 60 3.486 -0.050 -7.070 445 HH2 TRP 60 HH TRP 60 3.890 -1.316 -9.117 446 H ARG 61 H ARG 61 5.723 -4.556 -0.504 447 HA ARG 61 HA ARG 61 7.694 -6.156 -1.977 448 HB2 ARG 61 1HB ARG 61 8.758 -4.250 -0.649 449 HB3 ARG 61 2HB ARG 61 8.242 -5.110 0.795 450 HG2 ARG 61 1HG ARG 61 9.814 -6.590 -1.248 451 HG3 ARG 61 2HG ARG 61 10.646 -5.434 -0.207 452 HD2 ARG 61 1HD ARG 61 9.025 -7.826 0.646 453 HD3 ARG 61 2HD ARG 61 10.767 -7.605 0.806 454 HE ARG 61 HE ARG 61 8.697 -6.462 2.482 455 HH11 ARG 61 1HH1 ARG 61 12.043 -6.424 1.521 456 HH12 ARG 61 2HH1 ARG 61 12.584 -5.636 2.967 457 HH21 ARG 61 1HH2 ARG 61 9.397 -5.425 4.389 458 HH22 ARG 61 2HH2 ARG 61 11.078 -5.069 4.597 459 H THR 62 H THR 62 7.799 -8.277 -1.396 460 HA THR 62 HA THR 62 5.734 -9.677 -0.438 461 HB THR 62 HB THR 62 7.464 -11.360 0.504 462 HG1 THR 62 1HG THR 62 9.135 -9.357 -0.633 463 HG21 THR 62 3HG2 THR 62 7.838 -10.542 -2.371 464 HG22 THR 62 1HG2 THR 62 6.384 -11.353 -1.789 465 HG23 THR 62 2HG2 THR 62 7.949 -12.159 -1.677 466 H SER 63 H SER 63 4.776 -10.203 1.458 467 HA SER 63 HA SER 63 5.414 -8.606 3.764 468 HB2 SER 63 1HB SER 63 3.283 -10.667 3.196 469 HB3 SER 63 2HB SER 63 3.462 -9.905 4.777 470 HG SER 63 HG SER 63 3.183 -7.879 3.722 471 H PHE 64 H PHE 64 6.583 -9.172 5.482 472 HA PHE 64 HA PHE 64 7.957 -10.371 6.842 473 HB2 PHE 64 1HB PHE 64 6.137 -12.710 6.265 474 HB3 PHE 64 2HB PHE 64 7.103 -12.429 7.710 475 HD1 PHE 64 1HD PHE 64 4.083 -11.459 5.874 476 HD2 PHE 64 2HD PHE 64 6.354 -10.945 9.437 477 HE1 PHE 64 1HE PHE 64 2.161 -10.348 6.935 478 HE2 PHE 64 2HE PHE 64 4.435 -9.834 10.504 479 HZ PHE 64 HZ PHE 64 2.335 -9.535 9.253 480 H SER 65 H SER 65 8.951 -10.144 4.322 481 HA SER 65 HA SER 65 9.916 -12.810 3.573 482 HB2 SER 65 1HB SER 65 10.680 -11.756 1.494 483 HB3 SER 65 2HB SER 65 8.971 -11.420 1.769 484 HG SER 65 HG SER 65 11.163 -9.683 2.248 485 H ALA 66 H ALA 66 12.296 -12.445 2.500 486 HA ALA 66 HA ALA 66 13.973 -10.903 4.324 487 HB1 ALA 66 3HB ALA 66 15.462 -12.974 4.572 488 HB2 ALA 66 1HB ALA 66 13.984 -12.902 5.533 489 HB3 ALA 66 2HB ALA 66 14.040 -13.892 4.074 490 H SER 67 H SER 67 15.597 -9.955 3.271 491 HA SER 67 HA SER 67 17.065 -9.380 1.631 492 HB2 SER 67 1HB SER 67 16.913 -12.358 1.231 493 HB3 SER 67 2HB SER 67 17.883 -11.348 0.158 494 HG SER 67 HG SER 67 19.299 -11.068 1.700 495 H ALA 68 H ALA 68 14.224 -9.156 1.172 496 HA ALA 68 HA ALA 68 13.912 -9.738 -1.674 497 HB1 ALA 68 3HB ALA 68 11.919 -10.286 -0.732 498 HB2 ALA 68 1HB ALA 68 12.069 -9.089 0.554 499 HB3 ALA 68 2HB ALA 68 11.591 -8.586 -1.068 500 H LYS 69 H LYS 69 12.694 -7.919 -2.907 501 HA LYS 69 HA LYS 69 14.075 -5.371 -2.370 502 HB2 LYS 69 1HB LYS 69 14.044 -4.991 -4.816 503 HB3 LYS 69 2HB LYS 69 14.980 -6.409 -4.362 504 HG2 LYS 69 1HG LYS 69 13.825 -7.278 -6.109 505 HG3 LYS 69 2HG LYS 69 12.673 -7.625 -4.816 506 HD2 LYS 69 1HD LYS 69 11.735 -5.260 -5.415 507 HD3 LYS 69 2HD LYS 69 12.567 -5.532 -6.948 508 HE2 LYS 69 1HE LYS 69 11.348 -7.743 -7.068 509 HE3 LYS 69 2HE LYS 69 10.378 -7.185 -5.706 510 HZ1 LYS 69 3HZ LYS 69 9.296 -6.759 -7.834 511 HZ2 LYS 69 1HZ LYS 69 10.604 -5.805 -8.326 512 HZ3 LYS 69 2HZ LYS 69 9.641 -5.314 -7.025 513 H TYR 70 H TYR 70 12.962 -3.433 -3.108 514 HA TYR 70 HA TYR 70 10.050 -3.724 -2.845 515 HB2 TYR 70 1HB TYR 70 12.004 -1.659 -1.990 516 HB3 TYR 70 2HB TYR 70 10.418 -1.087 -2.497 517 HD1 TYR 70 2HD TYR 70 12.188 -3.247 -0.076 518 HD2 TYR 70 1HD TYR 70 8.507 -1.383 -1.114 519 HE1 TYR 70 2HE TYR 70 11.286 -3.805 2.143 520 HE2 TYR 70 1HE TYR 70 7.595 -1.935 1.102 521 HH TYR 70 HH TYR 70 7.958 -3.475 2.911 522 H LYS 71 H LYS 71 8.755 -3.244 -4.495 523 HA LYS 71 HA LYS 71 9.917 -2.328 -6.983 524 HB2 LYS 71 1HB LYS 71 8.132 -4.184 -6.662 525 HB3 LYS 71 2HB LYS 71 6.992 -2.850 -6.544 526 HG2 LYS 71 1HG LYS 71 7.185 -2.303 -8.745 527 HG3 LYS 71 2HG LYS 71 8.848 -2.883 -8.858 528 HD2 LYS 71 1HD LYS 71 7.781 -5.224 -8.485 529 HD3 LYS 71 2HD LYS 71 6.287 -4.429 -8.989 530 HE2 LYS 71 1HE LYS 71 7.103 -5.240 -10.992 531 HE3 LYS 71 2HE LYS 71 7.718 -3.587 -10.987 532 HZ1 LYS 71 3HZ LYS 71 9.822 -4.292 -10.863 533 HZ2 LYS 71 1HZ LYS 71 9.218 -5.779 -11.398 534 HZ3 LYS 71 2HZ LYS 71 9.472 -5.514 -9.747 535 H SER 72 H SER 72 8.582 -0.711 -8.294 536 HA SER 72 HA SER 72 7.158 1.304 -6.828 537 HB2 SER 72 1HB SER 72 8.716 3.127 -7.135 538 HB3 SER 72 2HB SER 72 9.545 1.826 -6.280 539 HG SER 72 HG SER 72 9.814 2.635 -8.968 540 H GLU 73 H GLU 73 5.901 2.535 -8.147 541 HA GLU 73 HA GLU 73 6.445 2.587 -11.012 542 HB2 GLU 73 1HB GLU 73 4.075 1.278 -9.731 543 HB3 GLU 73 2HB GLU 73 3.898 2.048 -11.301 544 HG2 GLU 73 1HG GLU 73 5.435 -0.378 -10.539 545 HG3 GLU 73 2HG GLU 73 4.366 -0.103 -11.914 546 H ASP 74 H ASP 74 5.355 4.252 -12.135 547 HA ASP 74 HA ASP 74 4.394 6.394 -10.370 548 HB2 ASP 74 1HB ASP 74 5.230 7.951 -11.874 549 HB3 ASP 74 2HB ASP 74 6.401 6.644 -12.027 550 H THR 75 H THR 75 2.334 7.003 -10.420 551 HA THR 75 HA THR 75 0.737 6.559 -12.825 552 HB THR 75 HB THR 75 0.300 4.546 -11.565 553 HG1 THR 75 1HG THR 75 -1.912 4.749 -11.491 554 HG21 THR 75 3HG2 THR 75 -1.021 5.563 -9.252 555 HG22 THR 75 1HG2 THR 75 0.603 6.246 -9.317 556 HG23 THR 75 2HG2 THR 75 0.381 4.497 -9.341 557 H THR 76 H THR 76 -0.593 8.214 -13.230 558 HA THR 76 HA THR 76 -0.745 10.371 -11.280 559 HB THR 76 HB THR 76 -1.870 11.614 -13.175 560 HG1 THR 76 1HG THR 76 -1.431 10.561 -15.278 561 HG21 THR 76 3HG2 THR 76 0.668 11.507 -12.597 562 HG22 THR 76 1HG2 THR 76 0.155 12.230 -14.121 563 HG23 THR 76 2HG2 THR 76 0.785 10.583 -14.094 564 H SER 77 H SER 77 -2.253 7.884 -10.873 565 HA SER 77 HA SER 77 -4.921 9.089 -10.649 566 HB2 SER 77 1HB SER 77 -4.261 6.360 -11.756 567 HB3 SER 77 2HB SER 77 -5.864 6.768 -11.143 568 HG SER 77 HG SER 77 -5.728 8.599 -12.674 569 H LEU 78 H LEU 78 -6.309 7.907 -9.067 570 HA LEU 78 HA LEU 78 -4.718 7.261 -6.717 571 HB2 LEU 78 1HB LEU 78 -7.702 7.579 -6.997 572 HB3 LEU 78 2HB LEU 78 -6.802 7.456 -5.487 573 HG LEU 78 HG LEU 78 -6.336 9.706 -7.421 574 HD11 LEU 78 1HD1 LEU 78 -8.561 9.317 -5.489 575 HD12 LEU 78 2HD1 LEU 78 -8.547 10.138 -7.049 576 HD13 LEU 78 3HD1 LEU 78 -7.843 10.922 -5.635 577 HD21 LEU 78 3HD2 LEU 78 -5.561 10.840 -5.382 578 HD22 LEU 78 1HD2 LEU 78 -4.644 9.371 -5.718 579 HD23 LEU 78 2HD2 LEU 78 -5.879 9.371 -4.458 580 H SER 79 H SER 79 -4.886 5.361 -8.927 581 HA SER 79 HA SER 79 -5.476 3.016 -7.385 582 HB2 SER 79 1HB SER 79 -7.190 2.081 -8.826 583 HB3 SER 79 2HB SER 79 -7.737 3.647 -8.228 584 HG SER 79 HG SER 79 -8.114 3.852 -10.326 585 H TYR 80 H TYR 80 -4.133 1.430 -7.969 586 HA TYR 80 HA TYR 80 -3.023 1.442 -10.690 587 HB2 TYR 80 1HB TYR 80 -1.312 2.478 -9.384 588 HB3 TYR 80 2HB TYR 80 -1.479 1.286 -8.100 589 HD1 TYR 80 2HD TYR 80 -0.515 -0.938 -8.332 590 HD2 TYR 80 1HD TYR 80 -0.087 1.964 -11.414 591 HE1 TYR 80 2HE TYR 80 1.263 -2.296 -9.356 592 HE2 TYR 80 1HE TYR 80 1.691 0.614 -12.447 593 HH TYR 80 HH TYR 80 3.385 -1.592 -11.026 594 H THR 81 H THR 81 -2.653 -0.542 -11.583 595 HA THR 81 HA THR 81 -3.668 -2.835 -10.059 596 HB THR 81 HB THR 81 -3.164 -2.723 -13.033 597 HG1 THR 81 1HG THR 81 -4.855 -1.230 -11.903 598 HG21 THR 81 3HG2 THR 81 -3.393 -4.960 -12.487 599 HG22 THR 81 1HG2 THR 81 -5.060 -4.509 -12.838 600 HG23 THR 81 2HG2 THR 81 -4.513 -4.631 -11.166 601 H ALA 82 H ALA 82 -2.104 -3.920 -9.045 602 HA ALA 82 HA ALA 82 0.591 -4.023 -10.069 603 HB1 ALA 82 3HB ALA 82 -0.761 -4.681 -7.564 604 HB2 ALA 82 1HB ALA 82 0.527 -5.805 -7.997 605 HB3 ALA 82 2HB ALA 82 0.872 -4.082 -7.850 606 H THR 83 H THR 83 0.856 -5.255 -11.840 607 HA THR 83 HA THR 83 -0.361 -7.928 -11.895 608 HB THR 83 HB THR 83 0.170 -7.942 -14.303 609 HG1 THR 83 1HG THR 83 1.391 -6.426 -15.158 610 HG21 THR 83 3HG2 THR 83 -1.478 -6.303 -15.000 611 HG22 THR 83 1HG2 THR 83 -1.315 -5.449 -13.466 612 HG23 THR 83 2HG2 THR 83 -2.001 -7.074 -13.502 613 H GLY 84 H GLY 84 0.886 -9.766 -12.413 614 HA2 GLY 84 1HA GLY 84 2.822 -11.028 -12.655 615 HA3 GLY 84 2HA GLY 84 3.756 -9.540 -12.664 616 H LEU 85 H LEU 85 1.535 -10.950 -10.266 617 HA LEU 85 HA LEU 85 3.670 -10.647 -8.266 618 HB2 LEU 85 1HB LEU 85 0.741 -11.001 -7.698 619 HB3 LEU 85 2HB LEU 85 2.000 -10.434 -6.604 620 HG LEU 85 HG LEU 85 1.213 -8.862 -9.039 621 HD11 LEU 85 1HD1 LEU 85 -0.315 -7.581 -7.647 622 HD12 LEU 85 2HD1 LEU 85 -0.016 -8.670 -6.293 623 HD13 LEU 85 3HD1 LEU 85 -0.822 -9.268 -7.743 624 HD21 LEU 85 3HD2 LEU 85 3.132 -7.920 -8.226 625 HD22 LEU 85 1HD2 LEU 85 2.803 -8.411 -6.564 626 HD23 LEU 85 2HD2 LEU 85 1.933 -7.048 -7.269 627 H LYS 86 H LYS 86 3.226 -12.254 -6.332 628 HA LYS 86 HA LYS 86 3.359 -14.920 -7.506 629 HB2 LYS 86 1HB LYS 86 5.088 -14.022 -5.874 630 HB3 LYS 86 2HB LYS 86 3.855 -14.163 -4.627 631 HG2 LYS 86 1HG LYS 86 3.674 -16.592 -5.209 632 HG3 LYS 86 2HG LYS 86 5.083 -16.377 -6.250 633 HD2 LYS 86 1HD LYS 86 5.139 -15.565 -3.362 634 HD3 LYS 86 2HD LYS 86 5.456 -17.231 -3.851 635 HE2 LYS 86 1HE LYS 86 6.917 -15.028 -5.225 636 HE3 LYS 86 2HE LYS 86 7.410 -15.481 -3.595 637 HZ1 LYS 86 3HZ LYS 86 7.029 -17.725 -5.355 638 HZ2 LYS 86 1HZ LYS 86 8.320 -17.368 -4.321 639 HZ3 LYS 86 2HZ LYS 86 8.254 -16.676 -5.863 640 HA PRO 87 HA PRO 87 -0.770 -15.901 -6.263 641 HB2 PRO 87 1HB PRO 87 -0.608 -18.590 -6.601 642 HB3 PRO 87 2HB PRO 87 -0.735 -17.457 -7.953 643 HG2 PRO 87 1HG PRO 87 1.692 -18.808 -6.836 644 HG3 PRO 87 2HG PRO 87 1.230 -18.557 -8.530 645 HD2 PRO 87 1HD PRO 87 3.049 -16.996 -7.269 646 HD3 PRO 87 2HD PRO 87 1.977 -16.377 -8.542 647 H ASN 88 H ASN 88 -1.847 -16.667 -4.469 648 HA ASN 88 HA ASN 88 -2.120 -17.204 -2.273 649 HB2 ASN 88 1HB ASN 88 -1.331 -19.434 -3.479 650 HB3 ASN 88 2HB ASN 88 0.071 -19.225 -2.433 651 HD21 ASN 88 1HD2 ASN 88 -3.454 -19.384 -2.404 652 HD22 ASN 88 2HD2 ASN 88 -3.586 -20.085 -0.830 653 H THR 89 H THR 89 -0.080 -15.199 -2.996 654 HA THR 89 HA THR 89 1.452 -15.294 -0.486 655 HB THR 89 HB THR 89 2.592 -14.167 -3.042 656 HG1 THR 89 1HG THR 89 2.381 -16.399 -3.328 657 HG21 THR 89 3HG2 THR 89 4.616 -13.993 -1.878 658 HG22 THR 89 1HG2 THR 89 4.084 -15.088 -0.603 659 HG23 THR 89 2HG2 THR 89 3.410 -13.461 -0.707 660 H MET 90 H MET 90 1.366 -13.480 0.701 661 HA MET 90 HA MET 90 0.025 -11.149 -0.488 662 HB2 MET 90 1HB MET 90 -1.180 -12.068 1.394 663 HB3 MET 90 2HB MET 90 0.269 -12.036 2.390 664 HG2 MET 90 1HG MET 90 0.283 -9.603 2.310 665 HG3 MET 90 2HG MET 90 -1.151 -9.623 1.287 666 HE1 MET 90 3HE MET 90 0.185 -10.056 5.033 667 HE2 MET 90 1HE MET 90 -1.082 -11.121 5.643 668 HE3 MET 90 2HE MET 90 -0.018 -11.669 4.348 669 H TYR 91 H TYR 91 0.806 -9.045 -0.055 670 HA TYR 91 HA TYR 91 3.502 -8.857 1.078 671 HB2 TYR 91 1HB TYR 91 3.115 -7.175 -1.294 672 HB3 TYR 91 2HB TYR 91 4.503 -8.147 -0.815 673 HD1 TYR 91 1HD TYR 91 4.096 -10.774 -1.031 674 HD2 TYR 91 2HD TYR 91 1.985 -7.790 -3.208 675 HE1 TYR 91 1HE TYR 91 3.531 -12.438 -2.752 676 HE2 TYR 91 2HE TYR 91 1.413 -9.445 -4.934 677 HH TYR 91 HH TYR 91 2.145 -12.850 -4.529 678 H GLU 92 H GLU 92 4.079 -6.278 0.774 679 HA GLU 92 HA GLU 92 1.931 -4.947 2.260 680 HB2 GLU 92 1HB GLU 92 4.900 -4.602 2.128 681 HB3 GLU 92 2HB GLU 92 3.901 -3.240 2.615 682 HG2 GLU 92 1HG GLU 92 2.904 -4.709 4.374 683 HG3 GLU 92 2HG GLU 92 4.110 -5.924 3.953 684 H PHE 93 H PHE 93 1.018 -3.052 1.606 685 HA PHE 93 HA PHE 93 1.938 -1.916 -0.947 686 HB2 PHE 93 1HB PHE 93 -0.906 -2.541 -0.139 687 HB3 PHE 93 2HB PHE 93 -0.483 -1.524 -1.513 688 HD1 PHE 93 2HD PHE 93 -0.074 -4.936 -0.123 689 HD2 PHE 93 1HD PHE 93 0.002 -2.466 -3.589 690 HE1 PHE 93 2HE PHE 93 0.105 -6.938 -1.542 691 HE2 PHE 93 1HE PHE 93 0.181 -4.464 -5.013 692 HZ PHE 93 HZ PHE 93 0.234 -6.704 -3.990 693 H SER 94 H SER 94 1.790 0.294 -1.159 694 HA SER 94 HA SER 94 0.467 1.882 0.867 695 HB2 SER 94 1HB SER 94 2.904 1.207 1.614 696 HB3 SER 94 2HB SER 94 3.376 2.486 0.494 697 HG SER 94 HG SER 94 1.783 2.676 2.820 698 H VAL 95 H VAL 95 1.244 4.330 0.425 699 HA VAL 95 HA VAL 95 1.646 4.840 -2.405 700 HB VAL 95 HB VAL 95 -0.874 5.751 -1.008 701 HG11 VAL 95 1HG1 VAL 95 0.017 6.267 -3.842 702 HG12 VAL 95 2HG1 VAL 95 -1.453 6.858 -3.065 703 HG13 VAL 95 3HG1 VAL 95 0.123 7.439 -2.528 704 HG21 VAL 95 3HG2 VAL 95 -0.875 3.382 -1.747 705 HG22 VAL 95 1HG2 VAL 95 -2.059 4.378 -2.592 706 HG23 VAL 95 2HG2 VAL 95 -0.553 3.930 -3.392 707 H MET 96 H MET 96 2.237 6.991 -2.869 708 HA MET 96 HA MET 96 2.433 8.891 -0.683 709 HB2 MET 96 1HB MET 96 4.873 9.240 -1.076 710 HB3 MET 96 2HB MET 96 4.483 7.683 -0.358 711 HG2 MET 96 1HG MET 96 4.966 6.519 -2.302 712 HG3 MET 96 2HG MET 96 4.804 7.952 -3.315 713 HE1 MET 96 3HE MET 96 8.072 9.917 -2.579 714 HE2 MET 96 1HE MET 96 6.694 9.757 -3.668 715 HE3 MET 96 2HE MET 96 6.433 10.149 -1.969 716 H VAL 97 H VAL 97 3.575 10.959 -1.533 717 HA VAL 97 HA VAL 97 3.042 11.381 -4.383 718 HB VAL 97 HB VAL 97 0.999 12.090 -3.267 719 HG11 VAL 97 1HG1 VAL 97 2.802 13.023 -1.277 720 HG12 VAL 97 2HG1 VAL 97 1.855 14.395 -1.858 721 HG13 VAL 97 3HG1 VAL 97 1.040 12.963 -1.228 722 HG21 VAL 97 3HG2 VAL 97 1.113 13.495 -5.020 723 HG22 VAL 97 1HG2 VAL 97 1.438 14.716 -3.790 724 HG23 VAL 97 2HG2 VAL 97 2.775 13.968 -4.663 725 H THR 98 H THR 98 4.511 12.645 -5.359 726 HA THR 98 HA THR 98 6.525 13.942 -3.651 727 HB THR 98 HB THR 98 6.728 12.959 -6.502 728 HG1 THR 98 1HG THR 98 6.957 11.611 -4.367 729 HG21 THR 98 3HG2 THR 98 8.166 15.050 -5.247 730 HG22 THR 98 1HG2 THR 98 8.473 14.306 -6.815 731 HG23 THR 98 2HG2 THR 98 9.250 13.665 -5.368 732 H LYS 99 H LYS 99 5.599 15.942 -3.339 733 HA LYS 99 HA LYS 99 5.247 17.579 -5.766 734 HB2 LYS 99 1HB LYS 99 3.200 16.996 -4.202 735 HB3 LYS 99 2HB LYS 99 3.866 18.288 -3.212 736 HG2 LYS 99 1HG LYS 99 3.652 19.855 -5.028 737 HG3 LYS 99 2HG LYS 99 3.120 18.570 -6.115 738 HD2 LYS 99 1HD LYS 99 1.094 19.451 -5.516 739 HD3 LYS 99 2HD LYS 99 1.280 18.229 -4.256 740 HE2 LYS 99 1HE LYS 99 2.404 20.117 -2.906 741 HE3 LYS 99 2HE LYS 99 1.652 21.199 -4.078 742 HZ1 LYS 99 3HZ LYS 99 0.256 19.276 -2.298 743 HZ2 LYS 99 1HZ LYS 99 -0.504 20.194 -3.499 744 HZ3 LYS 99 2HZ LYS 99 0.228 20.963 -2.182 745 H ASN 100 H ASN 100 5.825 19.818 -5.586 746 HA ASN 100 HA ASN 100 7.185 21.543 -4.996 747 HB2 ASN 100 1HB ASN 100 6.541 20.290 -2.374 748 HB3 ASN 100 2HB ASN 100 7.878 21.435 -2.415 749 HD21 ASN 100 1HD2 ASN 100 4.456 21.007 -2.967 750 HD22 ASN 100 2HD2 ASN 100 4.036 22.680 -2.880 751 H ARG 101 H ARG 101 8.420 19.481 -6.257 752 HA ARG 101 HA ARG 101 10.408 18.411 -6.606 753 HB2 ARG 101 1HB ARG 101 12.376 19.784 -6.249 754 HB3 ARG 101 2HB ARG 101 11.055 20.783 -6.841 755 HG2 ARG 101 1HG ARG 101 10.695 21.736 -4.708 756 HG3 ARG 101 2HG ARG 101 11.738 20.547 -3.926 757 HD2 ARG 101 1HD ARG 101 13.089 22.430 -4.042 758 HD3 ARG 101 2HD ARG 101 13.585 21.499 -5.454 759 HE ARG 101 HE ARG 101 11.617 23.165 -6.368 760 HH11 ARG 101 1HH1 ARG 101 14.663 23.584 -4.735 761 HH12 ARG 101 2HH1 ARG 101 14.979 25.133 -5.445 762 HH21 ARG 101 1HH2 ARG 101 12.021 25.203 -7.309 763 HH22 ARG 101 2HH2 ARG 101 13.475 26.053 -6.908 764 H ARG 102 H ARG 102 9.027 17.558 -4.260 765 HA ARG 102 HA ARG 102 11.246 16.326 -2.867 766 HB2 ARG 102 1HB ARG 102 10.723 17.056 -0.688 767 HB3 ARG 102 2HB ARG 102 10.702 18.514 -1.672 768 HG2 ARG 102 1HG ARG 102 8.383 18.682 -1.596 769 HG3 ARG 102 2HG ARG 102 8.184 16.995 -1.118 770 HD2 ARG 102 1HD ARG 102 9.392 19.179 0.576 771 HD3 ARG 102 2HD ARG 102 7.762 18.529 0.747 772 HE ARG 102 HE ARG 102 8.649 16.588 1.677 773 HH11 ARG 102 1HH1 ARG 102 11.164 18.762 0.645 774 HH12 ARG 102 2HH1 ARG 102 12.414 17.938 1.516 775 HH21 ARG 102 1HH2 ARG 102 10.285 15.494 2.829 776 HH22 ARG 102 2HH2 ARG 102 11.913 16.079 2.758 777 H SER 103 H SER 103 10.616 14.492 -1.603 778 HA SER 103 HA SER 103 8.004 13.415 -2.423 779 HB2 SER 103 1HB SER 103 9.272 11.207 -1.625 780 HB3 SER 103 2HB SER 103 9.479 11.861 -3.250 781 HG SER 103 HG SER 103 11.486 11.408 -2.261 782 H SER 104 H SER 104 6.580 12.644 -0.939 783 HA SER 104 HA SER 104 7.121 13.324 1.844 784 HB2 SER 104 1HB SER 104 4.799 13.326 2.182 785 HB3 SER 104 2HB SER 104 4.971 13.939 0.537 786 HG SER 104 HG SER 104 4.209 11.346 1.373 787 H THR 105 H THR 105 5.649 11.662 3.306 788 HA THR 105 HA THR 105 7.138 9.176 3.138 789 HB THR 105 HB THR 105 6.872 10.370 5.310 790 HG1 THR 105 1HG THR 105 6.977 7.900 4.922 791 HG21 THR 105 3HG2 THR 105 4.555 11.131 4.988 792 HG22 THR 105 1HG2 THR 105 4.745 10.234 6.494 793 HG23 THR 105 2HG2 THR 105 3.999 9.461 5.095 794 H TRP 106 H TRP 106 6.037 7.093 3.474 795 HA TRP 106 HA TRP 106 3.768 6.875 1.693 796 HB2 TRP 106 1HB TRP 106 5.355 4.766 3.173 797 HB3 TRP 106 2HB TRP 106 4.080 4.428 2.005 798 HD1 TRP 106 HD TRP 106 7.641 5.881 2.190 799 HE1 TRP 106 1HE TRP 106 8.704 5.715 -0.148 800 HE3 TRP 106 3HE TRP 106 3.573 4.239 -0.436 801 HZ2 TRP 106 2HZ TRP 106 7.921 4.986 -2.760 802 HZ3 TRP 106 3HZ TRP 106 3.814 3.832 -2.851 803 HH2 TRP 106 HH TRP 106 5.944 4.199 -3.987 804 H SER 107 H SER 107 1.704 6.397 2.230 805 HA SER 107 HA SER 107 0.821 6.888 4.872 806 HB2 SER 107 1HB SER 107 -0.545 7.339 2.845 807 HB3 SER 107 2HB SER 107 -0.712 5.601 2.599 808 HG SER 107 HG SER 107 -2.234 5.592 4.036 809 H MET 108 H MET 108 -1.038 5.138 5.602 810 HA MET 108 HA MET 108 0.311 3.115 6.906 811 HB2 MET 108 1HB MET 108 -1.904 2.091 7.294 812 HB3 MET 108 2HB MET 108 -1.905 3.825 7.589 813 HG2 MET 108 1HG MET 108 -3.889 3.426 6.442 814 HG3 MET 108 2HG MET 108 -2.793 4.061 5.217 815 HE1 MET 108 3HE MET 108 -4.416 0.055 6.071 816 HE2 MET 108 1HE MET 108 -4.975 1.666 6.524 817 HE3 MET 108 2HE MET 108 -5.506 0.943 5.005 818 H THR 109 H THR 109 0.364 0.829 6.622 819 HA THR 109 HA THR 109 0.690 0.067 3.838 820 HB THR 109 HB THR 109 1.288 -1.446 6.387 821 HG1 THR 109 1HG THR 109 2.875 0.020 4.540 822 HG21 THR 109 3HG2 THR 109 1.367 -2.233 3.530 823 HG22 THR 109 1HG2 THR 109 1.093 -3.216 4.967 824 HG23 THR 109 2HG2 THR 109 2.730 -2.725 4.534 825 H ALA 110 H ALA 110 -0.640 -1.221 2.712 826 HA ALA 110 HA ALA 110 -2.990 -2.303 4.111 827 HB1 ALA 110 3HB ALA 110 -3.397 -0.639 2.313 828 HB2 ALA 110 1HB ALA 110 -2.684 -1.768 1.160 829 HB3 ALA 110 2HB ALA 110 -4.163 -2.199 2.018 830 H HIS 111 H HIS 111 -3.155 -4.428 4.351 831 HA HIS 111 HA HIS 111 -1.346 -6.167 2.844 832 HB2 HIS 111 1HB HIS 111 -2.827 -6.420 5.433 833 HB3 HIS 111 2HB HIS 111 -2.346 -7.881 4.574 834 HD1 HIS 111 1HD HIS 111 0.431 -6.717 3.572 835 HD2 HIS 111 2HD HIS 111 -0.987 -6.667 7.477 836 HE1 HIS 111 1HE HIS 111 2.475 -6.541 5.027 837 HE2 HIS 111 2HE HIS 111 1.597 -6.598 7.388 838 H ALA 112 H ALA 112 -2.027 -7.647 1.402 839 HA ALA 112 HA ALA 112 -4.780 -8.511 1.300 840 HB1 ALA 112 3HB ALA 112 -3.887 -7.356 -1.273 841 HB2 ALA 112 1HB ALA 112 -5.502 -7.455 -0.571 842 HB3 ALA 112 2HB ALA 112 -4.371 -6.223 -0.011 843 H THR 113 H THR 113 -4.523 -10.631 1.086 844 HA THR 113 HA THR 113 -2.229 -11.745 -0.272 845 HB THR 113 HB THR 113 -4.574 -13.324 0.766 846 HG1 THR 113 1HG THR 113 -3.013 -13.398 2.700 847 HG21 THR 113 3HG2 THR 113 -2.658 -14.929 1.278 848 HG22 THR 113 1HG2 THR 113 -1.661 -13.886 0.265 849 HG23 THR 113 2HG2 THR 113 -3.068 -14.697 -0.421 850 H THR 114 H THR 114 -2.294 -13.123 -2.078 851 HA THR 114 HA THR 114 -4.426 -12.478 -3.954 852 HB THR 114 HB THR 114 -2.953 -13.696 -5.607 853 HG1 THR 114 1HG THR 114 -0.871 -14.217 -4.937 854 HG21 THR 114 3HG2 THR 114 -2.945 -11.201 -5.185 855 HG22 THR 114 1HG2 THR 114 -1.473 -11.860 -5.897 856 HG23 THR 114 2HG2 THR 114 -1.520 -11.462 -4.179 857 H TYR 115 H TYR 115 -5.317 -14.194 -5.347 858 HA TYR 115 HA TYR 115 -6.308 -16.354 -3.751 859 HB2 TYR 115 1HB TYR 115 -6.660 -15.856 -6.714 860 HB3 TYR 115 2HB TYR 115 -7.620 -16.947 -5.721 861 HD1 TYR 115 2HD TYR 115 -9.204 -16.040 -4.060 862 HD2 TYR 115 1HD TYR 115 -7.060 -13.492 -6.709 863 HE1 TYR 115 2HE TYR 115 -10.771 -14.212 -3.560 864 HE2 TYR 115 1HE TYR 115 -8.621 -11.656 -6.216 865 HH TYR 115 HH TYR 115 -10.375 -11.000 -5.027 866 H GLU 116 H GLU 116 -5.956 -18.551 -3.986 867 HA GLU 116 HA GLU 116 -3.354 -19.358 -4.689 868 HB2 GLU 116 1HB GLU 116 -5.203 -20.450 -3.137 869 HB3 GLU 116 2HB GLU 116 -5.572 -21.352 -4.600 870 HG2 GLU 116 1HG GLU 116 -3.228 -22.098 -4.700 871 HG3 GLU 116 2HG GLU 116 -2.918 -21.251 -3.185 872 H ALA 117 H ALA 117 -2.576 -19.402 -6.688 873 HA ALA 117 HA ALA 117 -3.893 -19.284 -9.069 874 HB1 ALA 117 3HB ALA 117 -1.646 -20.978 -9.481 875 HB2 ALA 117 1HB ALA 117 -1.806 -19.254 -9.815 876 HB3 ALA 117 2HB ALA 117 -1.236 -19.798 -8.236 877 H SER 118 H SER 118 -3.151 -22.189 -7.203 878 HA SER 118 HA SER 118 -4.573 -23.823 -9.181 879 HB2 SER 118 1HB SER 118 -2.784 -24.591 -6.865 880 HB3 SER 118 2HB SER 118 -3.638 -25.754 -7.879 881 HG SER 118 HG SER 118 -1.800 -25.600 -8.950 882 H GLY 119 H GLY 119 -6.625 -22.860 -8.483 883 HA2 GLY 119 1HA GLY 119 -8.019 -24.567 -6.712 884 HA3 GLY 119 2HA GLY 119 -7.675 -23.045 -5.906 885 HA PRO 120 HA PRO 120 -10.677 -22.270 -9.666 886 HB2 PRO 120 1HB PRO 120 -12.205 -24.424 -10.293 887 HB3 PRO 120 2HB PRO 120 -10.663 -24.077 -11.085 888 HG2 PRO 120 1HG PRO 120 -11.263 -25.992 -8.863 889 HG3 PRO 120 2HG PRO 120 -10.238 -26.221 -10.292 890 HD2 PRO 120 1HD PRO 120 -9.223 -25.643 -7.848 891 HD3 PRO 120 2HD PRO 120 -8.461 -25.092 -9.354 892 H SER 121 H SER 121 -11.074 -23.765 -6.679 893 HA SER 121 HA SER 121 -13.859 -22.815 -6.492 894 HB2 SER 121 1HB SER 121 -12.532 -25.150 -5.101 895 HB3 SER 121 2HB SER 121 -14.114 -24.516 -4.648 896 HG SER 121 HG SER 121 -13.361 -26.009 -6.857 897 H SER 122 H SER 122 -14.489 -21.760 -4.584 898 HA SER 122 HA SER 122 -12.271 -20.870 -2.859 899 HB2 SER 122 1HB SER 122 -13.151 -19.147 -4.541 900 HB3 SER 122 2HB SER 122 -14.626 -19.125 -3.575 901 HG SER 122 HG SER 122 -13.400 -17.556 -2.702 902 H GLY 123 H GLY 123 -12.563 -21.246 -0.763 903 HA2 GLY 123 1HA GLY 123 -14.784 -20.786 0.776 904 HA3 GLY 123 2HA GLY 123 -15.003 -22.424 0.177 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -9.738 -10.685 0.839 2 HA2 GLY 1 1HA GLY 1 -9.550 -8.944 2.918 3 HA3 GLY 1 2HA GLY 1 -9.545 -10.688 3.139 4 H SER 2 H SER 2 -8.179 -10.550 4.937 5 HA SER 2 HA SER 2 -5.378 -10.510 4.283 6 HB2 SER 2 1HB SER 2 -5.642 -8.139 4.631 7 HB3 SER 2 2HB SER 2 -6.532 -8.409 6.129 8 HG SER 2 HG SER 2 -4.441 -7.935 6.685 9 H SER 3 H SER 3 -4.081 -11.483 5.871 10 HA SER 3 HA SER 3 -5.608 -13.039 7.830 11 HB2 SER 3 1HB SER 3 -2.979 -13.446 6.442 12 HB3 SER 3 2HB SER 3 -3.312 -14.288 7.955 13 HG SER 3 HG SER 3 -4.016 -15.607 6.330 14 H GLY 4 H GLY 4 -5.200 -10.372 8.496 15 HA2 GLY 4 1HA GLY 4 -2.899 -10.213 10.260 16 HA3 GLY 4 2HA GLY 4 -4.092 -8.953 9.982 17 H SER 5 H SER 5 -6.414 -10.463 10.561 18 HA SER 5 HA SER 5 -7.722 -11.166 12.292 19 HB2 SER 5 1HB SER 5 -5.752 -12.808 12.598 20 HB3 SER 5 2HB SER 5 -5.256 -11.750 13.919 21 HG SER 5 HG SER 5 -6.581 -13.389 14.713 22 H SER 6 H SER 6 -7.118 -8.467 12.021 23 HA SER 6 HA SER 6 -7.334 -6.485 13.117 24 HB2 SER 6 1HB SER 6 -8.303 -8.419 15.200 25 HB3 SER 6 2HB SER 6 -8.133 -6.708 15.591 26 HG SER 6 HG SER 6 -10.229 -7.201 14.826 27 H GLY 7 H GLY 7 -4.765 -7.577 12.922 28 HA2 GLY 7 1HA GLY 7 -3.514 -7.050 15.524 29 HA3 GLY 7 2HA GLY 7 -2.736 -7.804 14.141 30 H PHE 8 H PHE 8 -3.786 -4.768 15.543 31 HA PHE 8 HA PHE 8 -1.871 -3.385 13.789 32 HB2 PHE 8 1HB PHE 8 -4.046 -2.810 12.941 33 HB3 PHE 8 2HB PHE 8 -4.644 -2.469 14.562 34 HD1 PHE 8 1HD PHE 8 -2.116 -1.344 12.080 35 HD2 PHE 8 2HD PHE 8 -4.582 -0.307 15.391 36 HE1 PHE 8 1HE PHE 8 -1.477 1.017 11.812 37 HE2 PHE 8 2HE PHE 8 -3.948 2.055 15.128 38 HZ PHE 8 HZ PHE 8 -2.394 2.720 13.336 39 HA PRO 9 HA PRO 9 -0.510 -2.468 18.012 40 HB2 PRO 9 1HB PRO 9 2.013 -1.793 17.273 41 HB3 PRO 9 2HB PRO 9 1.491 -3.468 17.489 42 HG2 PRO 9 1HG PRO 9 1.774 -1.883 14.966 43 HG3 PRO 9 2HG PRO 9 2.249 -3.560 15.293 44 HD2 PRO 9 1HD PRO 9 -0.024 -2.921 13.967 45 HD3 PRO 9 2HD PRO 9 0.105 -4.355 15.006 46 H THR 10 H THR 10 0.553 -0.510 18.950 47 HA THR 10 HA THR 10 -0.734 1.846 17.984 48 HB THR 10 HB THR 10 1.352 1.564 20.157 49 HG1 THR 10 1HG THR 10 -0.449 0.419 20.766 50 HG21 THR 10 3HG2 THR 10 -0.001 3.706 20.908 51 HG22 THR 10 1HG2 THR 10 -0.296 3.845 19.176 52 HG23 THR 10 2HG2 THR 10 1.357 3.829 19.791 53 H SER 11 H SER 11 0.055 3.515 16.825 54 HA SER 11 HA SER 11 2.909 3.441 16.094 55 HB2 SER 11 1HB SER 11 1.460 2.706 14.220 56 HB3 SER 11 2HB SER 11 0.610 4.249 14.295 57 HG SER 11 HG SER 11 2.318 4.151 12.707 58 H VAL 12 H VAL 12 3.820 5.090 17.142 59 HA VAL 12 HA VAL 12 2.543 7.393 18.064 60 HB VAL 12 HB VAL 12 4.783 8.355 18.354 61 HG11 VAL 12 1HG1 VAL 12 5.773 6.367 19.648 62 HG12 VAL 12 2HG1 VAL 12 4.177 6.954 20.118 63 HG13 VAL 12 3HG1 VAL 12 4.328 5.496 19.136 64 HG21 VAL 12 3HG2 VAL 12 5.584 7.300 16.132 65 HG22 VAL 12 1HG2 VAL 12 6.729 7.452 17.465 66 HG23 VAL 12 2HG2 VAL 12 5.972 5.896 17.125 67 HA PRO 13 HA PRO 13 2.048 9.892 14.472 68 HB2 PRO 13 1HB PRO 13 1.918 12.326 15.666 69 HB3 PRO 13 2HB PRO 13 0.599 11.151 15.735 70 HG2 PRO 13 1HG PRO 13 2.702 11.760 17.776 71 HG3 PRO 13 2HG PRO 13 0.966 11.483 18.007 72 HD2 PRO 13 1HD PRO 13 2.823 9.571 18.483 73 HD3 PRO 13 2HD PRO 13 1.190 9.191 17.899 74 H ASP 14 H ASP 14 4.127 9.522 13.541 75 HA ASP 14 HA ASP 14 6.559 10.525 14.218 76 HB2 ASP 14 1HB ASP 14 5.461 10.521 11.399 77 HB3 ASP 14 2HB ASP 14 7.159 10.469 11.864 78 H LEU 15 H LEU 15 7.794 12.371 13.326 79 HA LEU 15 HA LEU 15 6.802 14.807 14.110 80 HB2 LEU 15 1HB LEU 15 8.557 15.611 12.240 81 HB3 LEU 15 2HB LEU 15 9.019 15.019 13.835 82 HG LEU 15 HG LEU 15 9.621 12.891 12.961 83 HD11 LEU 15 1HD1 LEU 15 7.640 13.204 11.165 84 HD12 LEU 15 2HD1 LEU 15 8.912 11.992 11.023 85 HD13 LEU 15 3HD1 LEU 15 9.043 13.514 10.143 86 HD21 LEU 15 3HD2 LEU 15 10.906 15.219 12.267 87 HD22 LEU 15 1HD2 LEU 15 10.774 14.365 10.729 88 HD23 LEU 15 2HD2 LEU 15 11.561 13.589 12.104 89 H SER 16 H SER 16 6.772 16.775 12.463 90 HA SER 16 HA SER 16 4.522 16.232 10.698 91 HB2 SER 16 1HB SER 16 4.337 18.696 10.554 92 HB3 SER 16 2HB SER 16 4.339 18.132 12.225 93 HG SER 16 HG SER 16 6.448 18.800 12.434 94 H THR 17 H THR 17 4.480 17.443 8.574 95 HA THR 17 HA THR 17 7.074 17.791 7.308 96 HB THR 17 HB THR 17 6.561 16.267 5.445 97 HG1 THR 17 1HG THR 17 4.807 14.811 5.682 98 HG21 THR 17 3HG2 THR 17 6.655 15.100 8.217 99 HG22 THR 17 1HG2 THR 17 7.982 15.328 7.080 100 HG23 THR 17 2HG2 THR 17 6.756 14.099 6.769 101 HA PRO 18 HA PRO 18 4.920 20.904 5.076 102 HB2 PRO 18 1HB PRO 18 6.443 21.042 2.833 103 HB3 PRO 18 2HB PRO 18 6.982 21.659 4.400 104 HG2 PRO 18 1HG PRO 18 7.638 19.064 3.059 105 HG3 PRO 18 2HG PRO 18 8.709 20.173 3.934 106 HD2 PRO 18 1HD PRO 18 7.723 17.914 5.055 107 HD3 PRO 18 2HD PRO 18 8.052 19.383 5.997 108 H MET 19 H MET 19 4.750 17.726 4.292 109 HA MET 19 HA MET 19 2.963 18.265 2.015 110 HB2 MET 19 1HB MET 19 5.085 16.178 2.319 111 HB3 MET 19 2HB MET 19 3.650 15.808 1.372 112 HG2 MET 19 1HG MET 19 5.394 18.203 0.874 113 HG3 MET 19 2HG MET 19 5.611 16.650 0.071 114 HE1 MET 19 3HE MET 19 4.269 16.160 -2.334 115 HE2 MET 19 1HE MET 19 3.548 15.408 -0.911 116 HE3 MET 19 2HE MET 19 2.523 16.220 -2.093 117 H LEU 20 H LEU 20 1.691 15.999 1.640 118 HA LEU 20 HA LEU 20 0.878 14.794 4.144 119 HB2 LEU 20 1HB LEU 20 -0.414 17.010 3.697 120 HB3 LEU 20 2HB LEU 20 -1.287 16.046 2.507 121 HG LEU 20 HG LEU 20 -2.482 16.230 4.650 122 HD11 LEU 20 1HD1 LEU 20 -3.282 14.104 4.559 123 HD12 LEU 20 2HD1 LEU 20 -1.675 13.379 4.523 124 HD13 LEU 20 3HD1 LEU 20 -2.345 14.109 3.064 125 HD21 LEU 20 3HD2 LEU 20 -1.656 15.239 6.650 126 HD22 LEU 20 1HD2 LEU 20 -0.399 16.318 6.045 127 HD23 LEU 20 2HD2 LEU 20 -0.250 14.576 5.815 128 HA PRO 21 HA PRO 21 0.666 11.574 1.034 129 HB2 PRO 21 1HB PRO 21 0.389 9.542 2.813 130 HB3 PRO 21 2HB PRO 21 1.944 10.304 2.459 131 HG2 PRO 21 1HG PRO 21 0.084 10.773 4.757 132 HG3 PRO 21 2HG PRO 21 1.851 10.622 4.761 133 HD2 PRO 21 1HD PRO 21 0.593 13.018 4.869 134 HD3 PRO 21 2HD PRO 21 2.164 12.799 4.072 135 HA PRO 22 HA PRO 22 -3.621 10.694 0.604 136 HB2 PRO 22 1HB PRO 22 -3.623 8.126 -0.277 137 HB3 PRO 22 2HB PRO 22 -3.096 9.485 -1.278 138 HG2 PRO 22 1HG PRO 22 -1.449 7.529 0.278 139 HG3 PRO 22 2HG PRO 22 -1.188 8.159 -1.359 140 HD2 PRO 22 1HD PRO 22 0.152 9.103 0.797 141 HD3 PRO 22 2HD PRO 22 -0.270 10.128 -0.590 142 H VAL 23 H VAL 23 -5.298 8.842 1.084 143 HA VAL 23 HA VAL 23 -4.710 7.481 3.603 144 HB VAL 23 HB VAL 23 -6.726 8.306 4.689 145 HG11 VAL 23 1HG1 VAL 23 -5.997 10.556 5.179 146 HG12 VAL 23 2HG1 VAL 23 -4.589 9.508 4.999 147 HG13 VAL 23 3HG1 VAL 23 -5.046 10.605 3.695 148 HG21 VAL 23 3HG2 VAL 23 -8.180 8.739 2.865 149 HG22 VAL 23 1HG2 VAL 23 -7.903 10.287 3.664 150 HG23 VAL 23 2HG2 VAL 23 -7.062 9.907 2.161 151 H GLY 24 H GLY 24 -6.973 6.356 4.284 152 HA2 GLY 24 1HA GLY 24 -8.295 4.542 3.783 153 HA3 GLY 24 2HA GLY 24 -8.835 5.533 2.436 154 H VAL 25 H VAL 25 -5.554 4.345 2.856 155 HA VAL 25 HA VAL 25 -5.404 3.327 0.234 156 HB VAL 25 HB VAL 25 -3.638 2.572 2.564 157 HG11 VAL 25 1HG1 VAL 25 -3.577 2.061 -0.325 158 HG12 VAL 25 2HG1 VAL 25 -2.059 2.647 0.357 159 HG13 VAL 25 3HG1 VAL 25 -2.811 1.186 1.001 160 HG21 VAL 25 3HG2 VAL 25 -3.190 4.816 0.608 161 HG22 VAL 25 1HG2 VAL 25 -3.917 5.048 2.198 162 HG23 VAL 25 2HG2 VAL 25 -2.265 4.444 2.062 163 H GLN 26 H GLN 26 -6.625 1.683 -0.446 164 HA GLN 26 HA GLN 26 -6.844 -0.693 1.280 165 HB2 GLN 26 1HB GLN 26 -9.004 0.387 0.879 166 HB3 GLN 26 2HB GLN 26 -8.747 0.280 -0.857 167 HG2 GLN 26 1HG GLN 26 -8.762 -2.161 -0.706 168 HG3 GLN 26 2HG GLN 26 -9.037 -2.045 1.031 169 HE21 GLN 26 1HE2 GLN 26 -10.871 -3.456 0.124 170 HE22 GLN 26 2HE2 GLN 26 -12.340 -2.623 -0.238 171 H ALA 27 H ALA 27 -6.253 -2.647 0.492 172 HA ALA 27 HA ALA 27 -5.131 -2.685 -2.229 173 HB1 ALA 27 3HB ALA 27 -3.333 -3.184 -0.902 174 HB2 ALA 27 1HB ALA 27 -4.318 -3.995 0.317 175 HB3 ALA 27 2HB ALA 27 -3.958 -4.805 -1.208 176 H VAL 28 H VAL 28 -6.732 -3.423 -3.519 177 HA VAL 28 HA VAL 28 -8.348 -5.700 -2.667 178 HB VAL 28 HB VAL 28 -8.593 -4.265 -5.300 179 HG11 VAL 28 1HG1 VAL 28 -11.010 -5.158 -3.971 180 HG12 VAL 28 2HG1 VAL 28 -10.420 -5.507 -5.597 181 HG13 VAL 28 3HG1 VAL 28 -9.869 -6.477 -4.230 182 HG21 VAL 28 3HG2 VAL 28 -9.038 -2.394 -4.152 183 HG22 VAL 28 1HG2 VAL 28 -10.550 -3.189 -3.714 184 HG23 VAL 28 2HG2 VAL 28 -9.169 -3.256 -2.619 185 H ALA 29 H ALA 29 -8.137 -7.714 -3.446 186 HA ALA 29 HA ALA 29 -5.933 -8.223 -5.300 187 HB1 ALA 29 3HB ALA 29 -7.507 -10.147 -3.592 188 HB2 ALA 29 1HB ALA 29 -6.089 -10.543 -4.564 189 HB3 ALA 29 2HB ALA 29 -5.938 -9.451 -3.187 190 H LEU 30 H LEU 30 -6.441 -8.306 -7.385 191 HA LEU 30 HA LEU 30 -9.113 -8.927 -8.271 192 HB2 LEU 30 1HB LEU 30 -6.713 -8.640 -10.046 193 HB3 LEU 30 2HB LEU 30 -8.403 -8.306 -10.417 194 HG LEU 30 HG LEU 30 -6.895 -6.663 -8.408 195 HD11 LEU 30 1HD1 LEU 30 -6.372 -5.079 -10.184 196 HD12 LEU 30 2HD1 LEU 30 -7.030 -6.192 -11.383 197 HD13 LEU 30 3HD1 LEU 30 -5.587 -6.633 -10.469 198 HD21 LEU 30 3HD2 LEU 30 -9.530 -6.656 -9.618 199 HD22 LEU 30 1HD2 LEU 30 -8.698 -5.114 -9.823 200 HD23 LEU 30 2HD2 LEU 30 -8.930 -5.782 -8.207 201 H THR 31 H THR 31 -5.893 -10.375 -8.746 202 HA THR 31 HA THR 31 -7.118 -13.013 -8.862 203 HB THR 31 HB THR 31 -6.897 -11.968 -11.242 204 HG1 THR 31 1HG THR 31 -6.476 -14.071 -12.029 205 HG21 THR 31 3HG2 THR 31 -4.268 -11.695 -10.448 206 HG22 THR 31 1HG2 THR 31 -4.860 -11.618 -12.107 207 HG23 THR 31 2HG2 THR 31 -4.237 -13.137 -11.462 208 H HIS 32 H HIS 32 -5.274 -14.706 -9.198 209 HA HIS 32 HA HIS 32 -3.632 -14.747 -7.027 210 HB2 HIS 32 1HB HIS 32 -2.227 -16.393 -8.278 211 HB3 HIS 32 2HB HIS 32 -3.953 -16.728 -8.361 212 HD1 HIS 32 1HD HIS 32 -5.141 -16.113 -10.665 213 HD2 HIS 32 2HD HIS 32 -0.987 -16.043 -10.699 214 HE1 HIS 32 1HE HIS 32 -4.487 -16.144 -13.094 215 HE2 HIS 32 2HE HIS 32 -1.969 -16.188 -13.087 216 H ASP 33 H ASP 33 -2.821 -13.491 -10.242 217 HA ASP 33 HA ASP 33 -0.422 -12.249 -9.065 218 HB2 ASP 33 1HB ASP 33 -0.953 -13.336 -11.817 219 HB3 ASP 33 2HB ASP 33 0.305 -12.132 -11.550 220 H ALA 34 H ALA 34 -2.913 -11.033 -8.781 221 HA ALA 34 HA ALA 34 -2.403 -8.525 -10.135 222 HB1 ALA 34 3HB ALA 34 -5.107 -9.815 -10.450 223 HB2 ALA 34 1HB ALA 34 -4.555 -8.292 -11.146 224 HB3 ALA 34 2HB ALA 34 -3.860 -9.817 -11.697 225 H VAL 35 H VAL 35 -2.884 -6.839 -8.856 226 HA VAL 35 HA VAL 35 -4.869 -7.134 -6.736 227 HB VAL 35 HB VAL 35 -1.950 -6.625 -6.274 228 HG11 VAL 35 1HG1 VAL 35 -2.700 -5.911 -3.926 229 HG12 VAL 35 2HG1 VAL 35 -2.810 -4.722 -5.226 230 HG13 VAL 35 3HG1 VAL 35 -4.258 -5.567 -4.677 231 HG21 VAL 35 3HG2 VAL 35 -3.819 -8.700 -5.682 232 HG22 VAL 35 1HG2 VAL 35 -2.085 -8.646 -5.365 233 HG23 VAL 35 2HG2 VAL 35 -3.220 -8.019 -4.170 234 H ARG 36 H ARG 36 -6.192 -5.474 -7.042 235 HA ARG 36 HA ARG 36 -5.244 -3.015 -8.248 236 HB2 ARG 36 1HB ARG 36 -7.334 -3.702 -9.082 237 HB3 ARG 36 2HB ARG 36 -7.952 -4.067 -7.477 238 HG2 ARG 36 1HG ARG 36 -9.008 -2.077 -8.296 239 HG3 ARG 36 2HG ARG 36 -7.935 -1.650 -6.962 240 HD2 ARG 36 1HD ARG 36 -7.392 -0.021 -8.482 241 HD3 ARG 36 2HD ARG 36 -6.204 -1.257 -8.890 242 HE ARG 36 HE ARG 36 -7.265 -1.579 -10.906 243 HH11 ARG 36 1HH1 ARG 36 -9.253 0.383 -8.828 244 HH12 ARG 36 2HH1 ARG 36 -10.373 0.805 -10.081 245 HH21 ARG 36 1HH2 ARG 36 -8.732 -1.031 -12.564 246 HH22 ARG 36 2HH2 ARG 36 -10.076 -0.000 -12.205 247 H VAL 37 H VAL 37 -4.211 -1.636 -6.952 248 HA VAL 37 HA VAL 37 -5.053 -1.341 -4.169 249 HB VAL 37 HB VAL 37 -2.695 -0.079 -5.574 250 HG11 VAL 37 1HG1 VAL 37 -3.739 0.883 -3.374 251 HG12 VAL 37 2HG1 VAL 37 -2.903 -0.479 -2.626 252 HG13 VAL 37 3HG1 VAL 37 -1.990 0.723 -3.538 253 HG21 VAL 37 3HG2 VAL 37 -2.002 -2.093 -3.652 254 HG22 VAL 37 1HG2 VAL 37 -3.084 -2.768 -4.870 255 HG23 VAL 37 2HG2 VAL 37 -1.579 -1.990 -5.361 256 H SER 38 H SER 38 -6.670 0.045 -3.851 257 HA SER 38 HA SER 38 -6.614 2.607 -5.308 258 HB2 SER 38 1HB SER 38 -9.000 2.659 -5.307 259 HB3 SER 38 2HB SER 38 -8.541 1.043 -5.844 260 HG SER 38 HG SER 38 -8.726 0.654 -3.381 261 H TRP 39 H TRP 39 -6.759 4.464 -4.157 262 HA TRP 39 HA TRP 39 -7.274 4.270 -1.271 263 HB2 TRP 39 1HB TRP 39 -5.419 5.886 -0.873 264 HB3 TRP 39 2HB TRP 39 -4.868 4.330 -1.488 265 HD1 TRP 39 HD TRP 39 -4.861 8.010 -2.282 266 HE1 TRP 39 1HE TRP 39 -3.539 8.419 -4.452 267 HE3 TRP 39 3HE TRP 39 -4.336 3.168 -3.836 268 HZ2 TRP 39 2HZ TRP 39 -2.423 6.891 -6.547 269 HZ3 TRP 39 3HZ TRP 39 -3.128 2.728 -5.934 270 HH2 TRP 39 HH TRP 39 -2.193 4.552 -7.260 271 H ALA 40 H ALA 40 -7.123 6.785 -0.460 272 HA ALA 40 HA ALA 40 -8.870 8.314 -2.276 273 HB1 ALA 40 3HB ALA 40 -9.148 8.505 0.697 274 HB2 ALA 40 1HB ALA 40 -10.318 8.898 -0.563 275 HB3 ALA 40 2HB ALA 40 -9.948 7.212 -0.197 276 H ASP 41 H ASP 41 -8.875 10.657 -1.868 277 HA ASP 41 HA ASP 41 -6.277 11.581 -0.826 278 HB2 ASP 41 1HB ASP 41 -6.590 13.487 -2.513 279 HB3 ASP 41 2HB ASP 41 -6.156 11.907 -3.157 280 H ASN 42 H ASN 42 -6.795 12.345 1.151 281 HA ASN 42 HA ASN 42 -9.204 13.919 1.540 282 HB2 ASN 42 1HB ASN 42 -7.177 12.645 3.306 283 HB3 ASN 42 2HB ASN 42 -8.015 14.061 3.934 284 HD21 ASN 42 1HD2 ASN 42 -8.427 11.897 5.319 285 HD22 ASN 42 2HD2 ASN 42 -9.976 11.196 5.009 286 H SER 43 H SER 43 -5.922 14.437 0.808 287 HA SER 43 HA SER 43 -5.872 17.139 1.893 288 HB2 SER 43 1HB SER 43 -3.546 17.171 0.932 289 HB3 SER 43 2HB SER 43 -3.821 15.904 2.127 290 HG SER 43 HG SER 43 -3.117 15.681 -0.473 291 H VAL 44 H VAL 44 -7.817 16.596 -0.123 292 HA VAL 44 HA VAL 44 -6.828 18.360 -2.268 293 HB VAL 44 HB VAL 44 -7.153 16.083 -3.129 294 HG11 VAL 44 1HG1 VAL 44 -9.286 15.973 -1.402 295 HG12 VAL 44 2HG1 VAL 44 -10.063 16.103 -2.981 296 HG13 VAL 44 3HG1 VAL 44 -8.920 14.798 -2.663 297 HG21 VAL 44 3HG2 VAL 44 -8.834 18.354 -4.052 298 HG22 VAL 44 1HG2 VAL 44 -7.487 17.543 -4.852 299 HG23 VAL 44 2HG2 VAL 44 -9.077 16.780 -4.808 300 HA PRO 45 HA PRO 45 -10.268 20.625 -0.314 301 HB2 PRO 45 1HB PRO 45 -9.351 23.068 -1.064 302 HB3 PRO 45 2HB PRO 45 -8.758 22.217 0.368 303 HG2 PRO 45 1HG PRO 45 -7.538 22.416 -2.358 304 HG3 PRO 45 2HG PRO 45 -6.756 22.538 -0.771 305 HD2 PRO 45 1HD PRO 45 -6.679 20.280 -2.264 306 HD3 PRO 45 2HD PRO 45 -6.690 20.251 -0.489 307 H LYS 46 H LYS 46 -11.835 22.170 -1.236 308 HA LYS 46 HA LYS 46 -12.501 21.423 -3.945 309 HB2 LYS 46 1HB LYS 46 -14.067 21.821 -1.850 310 HB3 LYS 46 2HB LYS 46 -14.043 23.482 -2.427 311 HG2 LYS 46 1HG LYS 46 -15.909 22.635 -3.468 312 HG3 LYS 46 2HG LYS 46 -14.674 22.429 -4.712 313 HD2 LYS 46 1HD LYS 46 -15.760 20.374 -4.708 314 HD3 LYS 46 2HD LYS 46 -14.357 20.080 -3.678 315 HE2 LYS 46 1HE LYS 46 -15.641 20.159 -1.718 316 HE3 LYS 46 2HE LYS 46 -16.995 20.941 -2.533 317 HZ1 LYS 46 3HZ LYS 46 -16.574 18.210 -2.123 318 HZ2 LYS 46 1HZ LYS 46 -16.500 18.488 -3.790 319 HZ3 LYS 46 2HZ LYS 46 -17.867 18.959 -2.914 320 H ASN 47 H ASN 47 -13.091 23.018 -5.584 321 HA ASN 47 HA ASN 47 -12.627 24.788 -6.934 322 HB2 ASN 47 1HB ASN 47 -12.375 26.016 -4.211 323 HB3 ASN 47 2HB ASN 47 -11.922 26.953 -5.631 324 HD21 ASN 47 1HD2 ASN 47 -14.176 27.081 -3.624 325 HD22 ASN 47 2HD2 ASN 47 -15.599 27.201 -4.598 326 H GLN 48 H GLN 48 -10.596 22.882 -6.495 327 HA GLN 48 HA GLN 48 -8.102 24.315 -6.170 328 HB2 GLN 48 1HB GLN 48 -8.894 21.463 -6.526 329 HB3 GLN 48 2HB GLN 48 -7.255 21.929 -6.958 330 HG2 GLN 48 1HG GLN 48 -8.388 22.677 -4.297 331 HG3 GLN 48 2HG GLN 48 -7.746 21.060 -4.578 332 HE21 GLN 48 1HE2 GLN 48 -6.968 24.478 -4.565 333 HE22 GLN 48 2HE2 GLN 48 -5.266 24.284 -4.346 334 H LYS 49 H LYS 49 -8.323 25.793 -7.935 335 HA LYS 49 HA LYS 49 -8.290 24.675 -10.626 336 HB2 LYS 49 1HB LYS 49 -9.565 26.813 -9.808 337 HB3 LYS 49 2HB LYS 49 -8.006 27.597 -10.024 338 HG2 LYS 49 1HG LYS 49 -9.254 27.933 -12.011 339 HG3 LYS 49 2HG LYS 49 -7.998 26.747 -12.376 340 HD2 LYS 49 1HD LYS 49 -9.620 24.940 -12.129 341 HD3 LYS 49 2HD LYS 49 -10.877 26.112 -11.726 342 HE2 LYS 49 1HE LYS 49 -11.030 26.891 -13.883 343 HE3 LYS 49 2HE LYS 49 -9.374 26.434 -14.279 344 HZ1 LYS 49 3HZ LYS 49 -10.334 24.043 -13.932 345 HZ2 LYS 49 1HZ LYS 49 -10.538 24.848 -15.406 346 HZ3 LYS 49 2HZ LYS 49 -11.806 24.798 -14.287 347 H THR 50 H THR 50 -6.292 26.929 -8.715 348 HA THR 50 HA THR 50 -4.008 26.244 -10.439 349 HB THR 50 HB THR 50 -4.272 28.606 -8.570 350 HG1 THR 50 1HG THR 50 -4.853 29.773 -10.344 351 HG21 THR 50 3HG2 THR 50 -2.219 29.316 -9.289 352 HG22 THR 50 1HG2 THR 50 -2.358 28.498 -10.845 353 HG23 THR 50 2HG2 THR 50 -1.971 27.573 -9.394 354 H SER 51 H SER 51 -2.771 24.697 -9.605 355 HA SER 51 HA SER 51 -1.878 24.948 -6.836 356 HB2 SER 51 1HB SER 51 -3.242 22.515 -7.988 357 HB3 SER 51 2HB SER 51 -2.190 22.424 -6.576 358 HG SER 51 HG SER 51 -4.739 23.089 -6.647 359 H GLU 52 H GLU 52 -0.264 22.915 -6.489 360 HA GLU 52 HA GLU 52 1.668 23.166 -8.682 361 HB2 GLU 52 1HB GLU 52 1.949 22.547 -5.752 362 HB3 GLU 52 2HB GLU 52 3.248 22.200 -6.885 363 HG2 GLU 52 1HG GLU 52 2.063 24.926 -6.867 364 HG3 GLU 52 2HG GLU 52 3.154 24.462 -5.562 365 H VAL 53 H VAL 53 2.074 21.500 -9.970 366 HA VAL 53 HA VAL 53 0.725 19.187 -10.186 367 HB VAL 53 HB VAL 53 2.632 20.076 -11.667 368 HG11 VAL 53 1HG1 VAL 53 4.267 18.147 -10.035 369 HG12 VAL 53 2HG1 VAL 53 4.811 19.193 -11.348 370 HG13 VAL 53 3HG1 VAL 53 4.321 19.894 -9.806 371 HG21 VAL 53 3HG2 VAL 53 3.041 17.204 -11.666 372 HG22 VAL 53 1HG2 VAL 53 1.339 17.635 -11.504 373 HG23 VAL 53 2HG2 VAL 53 2.274 18.234 -12.874 374 H ARG 54 H ARG 54 1.210 16.942 -9.683 375 HA ARG 54 HA ARG 54 3.001 16.339 -7.516 376 HB2 ARG 54 1HB ARG 54 0.946 15.332 -6.212 377 HB3 ARG 54 2HB ARG 54 1.415 17.014 -5.995 378 HG2 ARG 54 1HG ARG 54 -0.951 16.934 -6.215 379 HG3 ARG 54 2HG ARG 54 -0.298 17.634 -7.697 380 HD2 ARG 54 1HD ARG 54 -0.828 15.796 -8.961 381 HD3 ARG 54 2HD ARG 54 -0.739 14.694 -7.587 382 HE ARG 54 HE ARG 54 -2.975 14.996 -7.299 383 HH11 ARG 54 1HH1 ARG 54 -1.709 17.748 -9.015 384 HH12 ARG 54 2HH1 ARG 54 -3.259 18.490 -9.233 385 HH21 ARG 54 1HH2 ARG 54 -5.022 15.962 -7.580 386 HH22 ARG 54 2HH2 ARG 54 -5.143 17.474 -8.416 387 H LEU 55 H LEU 55 3.548 14.212 -7.481 388 HA LEU 55 HA LEU 55 2.094 12.448 -9.341 389 HB2 LEU 55 1HB LEU 55 4.210 12.749 -10.269 390 HB3 LEU 55 2HB LEU 55 5.006 12.718 -8.697 391 HG LEU 55 HG LEU 55 4.090 10.207 -8.750 392 HD11 LEU 55 1HD1 LEU 55 3.696 9.319 -10.775 393 HD12 LEU 55 2HD1 LEU 55 4.906 10.325 -11.570 394 HD13 LEU 55 3HD1 LEU 55 3.307 10.981 -11.221 395 HD21 LEU 55 3HD2 LEU 55 6.379 10.737 -8.355 396 HD22 LEU 55 1HD2 LEU 55 6.600 11.292 -10.015 397 HD23 LEU 55 2HD2 LEU 55 6.329 9.580 -9.686 398 H TYR 56 H TYR 56 1.714 10.312 -8.743 399 HA TYR 56 HA TYR 56 1.976 9.790 -5.858 400 HB2 TYR 56 1HB TYR 56 -0.089 8.995 -7.887 401 HB3 TYR 56 2HB TYR 56 0.117 8.054 -6.413 402 HD1 TYR 56 1HD TYR 56 0.112 11.726 -7.136 403 HD2 TYR 56 2HD TYR 56 -1.581 8.509 -4.924 404 HE1 TYR 56 1HE TYR 56 -1.318 13.319 -5.926 405 HE2 TYR 56 2HE TYR 56 -3.018 10.094 -3.709 406 HH TYR 56 HH TYR 56 -3.404 12.269 -3.276 407 H THR 57 H THR 57 3.223 8.168 -5.201 408 HA THR 57 HA THR 57 4.218 6.274 -7.222 409 HB THR 57 HB THR 57 5.502 6.801 -4.546 410 HG1 THR 57 1HG THR 57 5.260 8.672 -6.171 411 HG21 THR 57 3HG2 THR 57 7.530 6.072 -5.956 412 HG22 THR 57 1HG2 THR 57 6.337 5.472 -7.107 413 HG23 THR 57 2HG2 THR 57 6.376 4.833 -5.463 414 H VAL 58 H VAL 58 4.394 4.061 -6.706 415 HA VAL 58 HA VAL 58 3.038 3.151 -4.273 416 HB VAL 58 HB VAL 58 2.371 1.976 -6.969 417 HG11 VAL 58 1HG1 VAL 58 1.543 0.345 -5.701 418 HG12 VAL 58 2HG1 VAL 58 1.817 1.266 -4.221 419 HG13 VAL 58 3HG1 VAL 58 0.331 1.497 -5.143 420 HG21 VAL 58 3HG2 VAL 58 1.605 4.323 -6.827 421 HG22 VAL 58 1HG2 VAL 58 0.272 3.171 -6.898 422 HG23 VAL 58 2HG2 VAL 58 0.712 3.918 -5.362 423 H ARG 59 H ARG 59 4.173 1.611 -3.299 424 HA ARG 59 HA ARG 59 5.933 -0.095 -4.929 425 HB2 ARG 59 1HB ARG 59 7.699 0.081 -3.371 426 HB3 ARG 59 2HB ARG 59 7.137 1.728 -3.625 427 HG2 ARG 59 1HG ARG 59 6.112 1.828 -1.531 428 HG3 ARG 59 2HG ARG 59 6.131 0.074 -1.339 429 HD2 ARG 59 1HD ARG 59 7.841 0.815 0.065 430 HD3 ARG 59 2HD ARG 59 8.683 0.289 -1.392 431 HE ARG 59 HE ARG 59 8.389 3.015 -0.428 432 HH11 ARG 59 1HH1 ARG 59 9.361 0.883 -3.004 433 HH12 ARG 59 2HH1 ARG 59 10.360 2.066 -3.782 434 HH21 ARG 59 1HH2 ARG 59 9.701 4.581 -1.443 435 HH22 ARG 59 2HH2 ARG 59 10.553 4.169 -2.893 436 H TRP 60 H TRP 60 6.390 -2.187 -4.032 437 HA TRP 60 HA TRP 60 4.961 -3.100 -1.712 438 HB2 TRP 60 1HB TRP 60 3.593 -4.777 -2.918 439 HB3 TRP 60 2HB TRP 60 3.125 -3.124 -3.303 440 HD1 TRP 60 HD TRP 60 4.580 -6.264 -4.869 441 HE1 TRP 60 1HE TRP 60 4.680 -5.959 -7.423 442 HE3 TRP 60 3HE TRP 60 3.403 -1.297 -5.140 443 HZ2 TRP 60 2HZ TRP 60 4.310 -3.887 -9.303 444 HZ3 TRP 60 3HZ TRP 60 3.298 -0.229 -7.354 445 HH2 TRP 60 HH TRP 60 3.743 -1.499 -9.391 446 H ARG 61 H ARG 61 6.011 -4.769 -0.815 447 HA ARG 61 HA ARG 61 7.753 -6.419 -2.508 448 HB2 ARG 61 1HB ARG 61 9.333 -4.948 -1.596 449 HB3 ARG 61 2HB ARG 61 8.515 -4.889 -0.040 450 HG2 ARG 61 1HG ARG 61 9.433 -7.560 -0.756 451 HG3 ARG 61 2HG ARG 61 10.735 -6.375 -0.627 452 HD2 ARG 61 1HD ARG 61 9.927 -7.709 1.478 453 HD3 ARG 61 2HD ARG 61 10.361 -6.005 1.605 454 HE ARG 61 HE ARG 61 7.644 -6.116 1.048 455 HH11 ARG 61 1HH1 ARG 61 9.815 -7.110 3.582 456 HH12 ARG 61 2HH1 ARG 61 8.628 -6.962 4.836 457 HH21 ARG 61 1HH2 ARG 61 6.073 -5.917 2.690 458 HH22 ARG 61 2HH2 ARG 61 6.500 -6.284 4.327 459 H THR 62 H THR 62 8.023 -8.540 -1.840 460 HA THR 62 HA THR 62 6.005 -9.943 -0.762 461 HB THR 62 HB THR 62 7.910 -11.524 0.182 462 HG1 THR 62 1HG THR 62 9.862 -11.088 -1.047 463 HG21 THR 62 3HG2 THR 62 7.910 -12.617 -1.861 464 HG22 THR 62 1HG2 THR 62 7.927 -11.115 -2.783 465 HG23 THR 62 2HG2 THR 62 6.449 -11.636 -1.973 466 H SER 63 H SER 63 5.212 -10.529 1.208 467 HA SER 63 HA SER 63 5.947 -8.862 3.447 468 HB2 SER 63 1HB SER 63 4.032 -9.893 4.575 469 HB3 SER 63 2HB SER 63 3.578 -9.356 2.958 470 HG SER 63 HG SER 63 4.499 -11.971 3.232 471 H PHE 64 H PHE 64 7.152 -9.409 5.157 472 HA PHE 64 HA PHE 64 8.690 -10.570 6.379 473 HB2 PHE 64 1HB PHE 64 6.706 -12.833 6.099 474 HB3 PHE 64 2HB PHE 64 7.872 -12.598 7.397 475 HD1 PHE 64 2HD PHE 64 7.556 -10.751 9.017 476 HD2 PHE 64 1HD PHE 64 4.607 -11.745 6.114 477 HE1 PHE 64 2HE PHE 64 5.873 -9.499 10.303 478 HE2 PHE 64 1HE PHE 64 2.919 -10.494 7.395 479 HZ PHE 64 HZ PHE 64 3.551 -9.370 9.493 480 H SER 65 H SER 65 9.566 -10.480 3.869 481 HA SER 65 HA SER 65 10.519 -13.215 3.317 482 HB2 SER 65 1HB SER 65 9.584 -11.053 1.499 483 HB3 SER 65 2HB SER 65 10.940 -12.037 0.949 484 HG SER 65 HG SER 65 9.614 -13.629 0.620 485 H ALA 66 H ALA 66 12.650 -13.546 3.383 486 HA ALA 66 HA ALA 66 14.443 -11.722 4.438 487 HB1 ALA 66 3HB ALA 66 15.749 -13.516 4.494 488 HB2 ALA 66 1HB ALA 66 14.526 -14.389 3.570 489 HB3 ALA 66 2HB ALA 66 15.839 -13.559 2.734 490 H SER 67 H SER 67 14.825 -12.939 1.119 491 HA SER 67 HA SER 67 15.911 -10.328 0.358 492 HB2 SER 67 1HB SER 67 16.215 -13.111 -0.690 493 HB3 SER 67 2HB SER 67 16.457 -11.762 -1.799 494 HG SER 67 HG SER 67 18.134 -12.720 0.037 495 H ALA 68 H ALA 68 14.925 -9.001 -1.044 496 HA ALA 68 HA ALA 68 13.083 -9.834 -3.028 497 HB1 ALA 68 3HB ALA 68 11.133 -9.826 -1.972 498 HB2 ALA 68 1HB ALA 68 11.975 -9.545 -0.448 499 HB3 ALA 68 2HB ALA 68 11.417 -8.177 -1.412 500 H LYS 69 H LYS 69 12.426 -8.133 -4.390 501 HA LYS 69 HA LYS 69 13.953 -5.656 -3.986 502 HB2 LYS 69 1HB LYS 69 12.993 -7.115 -6.423 503 HB3 LYS 69 2HB LYS 69 13.346 -5.395 -6.513 504 HG2 LYS 69 1HG LYS 69 15.338 -7.371 -5.453 505 HG3 LYS 69 2HG LYS 69 15.196 -7.005 -7.174 506 HD2 LYS 69 1HD LYS 69 15.444 -4.555 -6.494 507 HD3 LYS 69 2HD LYS 69 15.971 -5.168 -4.925 508 HE2 LYS 69 1HE LYS 69 17.931 -4.777 -6.203 509 HE3 LYS 69 2HE LYS 69 17.695 -6.524 -6.155 510 HZ1 LYS 69 3HZ LYS 69 16.339 -5.687 -8.385 511 HZ2 LYS 69 1HZ LYS 69 17.842 -6.465 -8.355 512 HZ3 LYS 69 2HZ LYS 69 17.764 -4.776 -8.402 513 H TYR 70 H TYR 70 12.862 -3.936 -3.326 514 HA TYR 70 HA TYR 70 10.024 -3.850 -3.242 515 HB2 TYR 70 1HB TYR 70 12.251 -2.047 -2.475 516 HB3 TYR 70 2HB TYR 70 10.692 -1.285 -2.771 517 HD1 TYR 70 1HD TYR 70 8.784 -1.748 -1.327 518 HD2 TYR 70 2HD TYR 70 12.575 -3.531 -0.587 519 HE1 TYR 70 1HE TYR 70 8.041 -2.375 0.932 520 HE2 TYR 70 2HE TYR 70 11.843 -4.164 1.674 521 HH TYR 70 HH TYR 70 9.460 -4.616 2.778 522 H LYS 71 H LYS 71 8.844 -3.668 -5.031 523 HA LYS 71 HA LYS 71 9.775 -2.382 -7.403 524 HB2 LYS 71 1HB LYS 71 8.031 -4.309 -7.101 525 HB3 LYS 71 2HB LYS 71 6.883 -2.992 -6.899 526 HG2 LYS 71 1HG LYS 71 7.271 -2.188 -9.082 527 HG3 LYS 71 2HG LYS 71 8.704 -3.200 -9.279 528 HD2 LYS 71 1HD LYS 71 6.112 -4.541 -8.711 529 HD3 LYS 71 2HD LYS 71 6.362 -3.870 -10.324 530 HE2 LYS 71 1HE LYS 71 8.246 -5.780 -8.946 531 HE3 LYS 71 2HE LYS 71 7.020 -6.256 -10.120 532 HZ1 LYS 71 3HZ LYS 71 9.167 -6.023 -11.174 533 HZ2 LYS 71 1HZ LYS 71 9.304 -4.427 -10.630 534 HZ3 LYS 71 2HZ LYS 71 8.112 -4.836 -11.758 535 H SER 72 H SER 72 8.748 -0.563 -8.456 536 HA SER 72 HA SER 72 7.125 1.222 -6.867 537 HB2 SER 72 1HB SER 72 8.732 3.113 -7.022 538 HB3 SER 72 2HB SER 72 9.330 1.797 -6.013 539 HG SER 72 HG SER 72 10.416 1.075 -8.027 540 H GLU 73 H GLU 73 5.743 2.226 -8.170 541 HA GLU 73 HA GLU 73 6.525 2.694 -10.968 542 HB2 GLU 73 1HB GLU 73 4.024 1.422 -9.900 543 HB3 GLU 73 2HB GLU 73 4.007 2.265 -11.443 544 HG2 GLU 73 1HG GLU 73 5.425 -0.244 -10.674 545 HG3 GLU 73 2HG GLU 73 4.382 0.076 -12.058 546 H ASP 74 H ASP 74 5.355 4.416 -12.033 547 HA ASP 74 HA ASP 74 4.450 6.466 -10.123 548 HB2 ASP 74 1HB ASP 74 5.362 8.124 -11.490 549 HB3 ASP 74 2HB ASP 74 6.541 6.822 -11.617 550 H THR 75 H THR 75 2.445 7.255 -10.272 551 HA THR 75 HA THR 75 0.950 7.057 -12.756 552 HB THR 75 HB THR 75 0.540 4.898 -11.546 553 HG1 THR 75 1HG THR 75 -1.045 5.624 -12.960 554 HG21 THR 75 3HG2 THR 75 0.269 6.583 -9.326 555 HG22 THR 75 1HG2 THR 75 -0.022 4.845 -9.388 556 HG23 THR 75 2HG2 THR 75 -1.352 5.972 -9.655 557 H THR 76 H THR 76 -0.721 8.531 -12.917 558 HA THR 76 HA THR 76 -0.743 10.598 -10.845 559 HB THR 76 HB THR 76 -1.592 12.105 -12.457 560 HG1 THR 76 1HG THR 76 -1.937 10.024 -14.350 561 HG21 THR 76 3HG2 THR 76 -0.048 11.810 -14.413 562 HG22 THR 76 1HG2 THR 76 0.391 10.235 -13.752 563 HG23 THR 76 2HG2 THR 76 0.737 11.703 -12.838 564 H SER 77 H SER 77 -2.387 7.880 -11.339 565 HA SER 77 HA SER 77 -5.039 9.012 -10.790 566 HB2 SER 77 1HB SER 77 -4.147 6.264 -11.671 567 HB3 SER 77 2HB SER 77 -5.797 6.611 -11.155 568 HG SER 77 HG SER 77 -4.490 7.289 -13.488 569 H LEU 78 H LEU 78 -6.373 7.544 -9.251 570 HA LEU 78 HA LEU 78 -4.789 7.247 -6.801 571 HB2 LEU 78 1HB LEU 78 -7.766 7.488 -7.207 572 HB3 LEU 78 2HB LEU 78 -6.969 7.317 -5.644 573 HG LEU 78 HG LEU 78 -6.533 9.640 -7.517 574 HD11 LEU 78 1HD1 LEU 78 -8.788 9.811 -6.878 575 HD12 LEU 78 2HD1 LEU 78 -7.908 10.862 -5.768 576 HD13 LEU 78 3HD1 LEU 78 -8.449 9.271 -5.233 577 HD21 LEU 78 3HD2 LEU 78 -5.947 9.489 -4.576 578 HD22 LEU 78 1HD2 LEU 78 -5.355 10.651 -5.764 579 HD23 LEU 78 2HD2 LEU 78 -4.767 8.989 -5.790 580 H SER 79 H SER 79 -5.161 5.268 -9.092 581 HA SER 79 HA SER 79 -5.546 2.954 -7.385 582 HB2 SER 79 1HB SER 79 -7.147 1.899 -8.992 583 HB3 SER 79 2HB SER 79 -7.815 3.296 -8.149 584 HG SER 79 HG SER 79 -7.329 4.538 -10.021 585 H TYR 80 H TYR 80 -4.105 1.431 -7.874 586 HA TYR 80 HA TYR 80 -2.961 1.391 -10.586 587 HB2 TYR 80 1HB TYR 80 -1.334 2.476 -9.167 588 HB3 TYR 80 2HB TYR 80 -1.465 1.197 -7.965 589 HD1 TYR 80 2HD TYR 80 -0.496 -1.025 -8.409 590 HD2 TYR 80 1HD TYR 80 0.011 2.202 -11.135 591 HE1 TYR 80 2HE TYR 80 1.343 -2.242 -9.498 592 HE2 TYR 80 1HE TYR 80 1.851 0.993 -12.233 593 HH TYR 80 HH TYR 80 2.603 -1.369 -12.495 594 H THR 81 H THR 81 -2.590 -0.592 -11.462 595 HA THR 81 HA THR 81 -3.585 -2.887 -9.928 596 HB THR 81 HB THR 81 -3.042 -2.891 -12.889 597 HG1 THR 81 1HG THR 81 -4.537 -1.347 -12.886 598 HG21 THR 81 3HG2 THR 81 -3.699 -5.010 -12.641 599 HG22 THR 81 1HG2 THR 81 -5.303 -4.397 -12.241 600 HG23 THR 81 2HG2 THR 81 -4.142 -4.736 -10.956 601 H ALA 82 H ALA 82 -2.075 -4.077 -8.975 602 HA ALA 82 HA ALA 82 0.646 -4.118 -9.973 603 HB1 ALA 82 3HB ALA 82 -0.024 -5.911 -7.754 604 HB2 ALA 82 1HB ALA 82 1.248 -4.697 -7.892 605 HB3 ALA 82 2HB ALA 82 -0.393 -4.211 -7.462 606 H THR 83 H THR 83 0.872 -5.346 -11.761 607 HA THR 83 HA THR 83 -0.326 -8.026 -11.795 608 HB THR 83 HB THR 83 0.016 -8.060 -14.166 609 HG1 THR 83 1HG THR 83 1.173 -6.440 -15.223 610 HG21 THR 83 3HG2 THR 83 -1.958 -6.859 -13.549 611 HG22 THR 83 1HG2 THR 83 -1.195 -5.976 -14.870 612 HG23 THR 83 2HG2 THR 83 -1.032 -5.397 -13.212 613 H GLY 84 H GLY 84 0.969 -9.826 -12.591 614 HA2 GLY 84 1HA GLY 84 2.877 -11.112 -12.703 615 HA3 GLY 84 2HA GLY 84 3.812 -9.625 -12.760 616 H LEU 85 H LEU 85 1.704 -11.190 -10.343 617 HA LEU 85 HA LEU 85 3.864 -10.800 -8.378 618 HB2 LEU 85 1HB LEU 85 1.012 -11.186 -7.586 619 HB3 LEU 85 2HB LEU 85 2.314 -10.376 -6.717 620 HG LEU 85 HG LEU 85 1.269 -9.180 -9.249 621 HD11 LEU 85 1HD1 LEU 85 -0.220 -9.522 -6.746 622 HD12 LEU 85 2HD1 LEU 85 -0.793 -9.141 -8.370 623 HD13 LEU 85 3HD1 LEU 85 -0.143 -7.863 -7.342 624 HD21 LEU 85 3HD2 LEU 85 3.051 -8.451 -7.111 625 HD22 LEU 85 1HD2 LEU 85 1.743 -7.277 -7.257 626 HD23 LEU 85 2HD2 LEU 85 2.758 -7.645 -8.652 627 H LYS 86 H LYS 86 3.232 -12.369 -6.365 628 HA LYS 86 HA LYS 86 3.345 -15.058 -7.524 629 HB2 LYS 86 1HB LYS 86 5.184 -14.282 -6.019 630 HB3 LYS 86 2HB LYS 86 4.014 -14.182 -4.709 631 HG2 LYS 86 1HG LYS 86 3.552 -16.635 -5.111 632 HG3 LYS 86 2HG LYS 86 4.980 -16.634 -6.148 633 HD2 LYS 86 1HD LYS 86 5.048 -15.652 -3.305 634 HD3 LYS 86 2HD LYS 86 5.318 -17.345 -3.728 635 HE2 LYS 86 1HE LYS 86 7.032 -16.258 -5.430 636 HE3 LYS 86 2HE LYS 86 7.011 -14.956 -4.243 637 HZ1 LYS 86 3HZ LYS 86 7.248 -17.298 -2.803 638 HZ2 LYS 86 1HZ LYS 86 8.451 -16.139 -3.071 639 HZ3 LYS 86 2HZ LYS 86 8.311 -17.468 -4.108 640 HA PRO 87 HA PRO 87 -0.738 -15.963 -6.111 641 HB2 PRO 87 1HB PRO 87 -0.596 -18.670 -6.260 642 HB3 PRO 87 2HB PRO 87 -0.739 -17.636 -7.686 643 HG2 PRO 87 1HG PRO 87 1.698 -18.920 -6.515 644 HG3 PRO 87 2HG PRO 87 1.211 -18.787 -8.214 645 HD2 PRO 87 1HD PRO 87 3.058 -17.153 -7.097 646 HD3 PRO 87 2HD PRO 87 1.970 -16.619 -8.393 647 H ASN 88 H ASN 88 -1.840 -16.856 -4.319 648 HA ASN 88 HA ASN 88 -2.059 -17.136 -2.059 649 HB2 ASN 88 1HB ASN 88 -1.345 -19.448 -3.141 650 HB3 ASN 88 2HB ASN 88 0.090 -19.209 -2.150 651 HD21 ASN 88 1HD2 ASN 88 -3.413 -19.452 -2.069 652 HD22 ASN 88 2HD2 ASN 88 -3.522 -19.994 -0.433 653 H THR 89 H THR 89 -0.282 -15.058 -2.684 654 HA THR 89 HA THR 89 1.393 -15.105 -0.288 655 HB THR 89 HB THR 89 2.567 -13.944 -2.789 656 HG1 THR 89 1HG THR 89 2.945 -16.639 -1.946 657 HG21 THR 89 3HG2 THR 89 3.908 -15.251 -0.429 658 HG22 THR 89 1HG2 THR 89 3.501 -13.537 -0.474 659 HG23 THR 89 2HG2 THR 89 4.635 -14.205 -1.648 660 H MET 90 H MET 90 1.182 -13.289 0.854 661 HA MET 90 HA MET 90 -0.110 -10.989 -0.438 662 HB2 MET 90 1HB MET 90 -1.279 -11.949 1.503 663 HB3 MET 90 2HB MET 90 0.142 -11.666 2.499 664 HG2 MET 90 1HG MET 90 -1.029 -9.348 1.070 665 HG3 MET 90 2HG MET 90 -1.907 -10.000 2.453 666 HE1 MET 90 3HE MET 90 1.063 -10.610 4.624 667 HE2 MET 90 1HE MET 90 -0.033 -9.487 5.428 668 HE3 MET 90 2HE MET 90 -0.681 -10.796 4.440 669 H TYR 91 H TYR 91 0.640 -8.858 0.001 670 HA TYR 91 HA TYR 91 3.344 -8.645 1.113 671 HB2 TYR 91 1HB TYR 91 2.811 -7.053 -1.334 672 HB3 TYR 91 2HB TYR 91 4.310 -7.783 -0.768 673 HD1 TYR 91 1HD TYR 91 4.097 -10.512 -0.700 674 HD2 TYR 91 2HD TYR 91 2.011 -7.887 -3.320 675 HE1 TYR 91 1HE TYR 91 3.812 -12.352 -2.308 676 HE2 TYR 91 2HE TYR 91 1.720 -9.720 -4.934 677 HH TYR 91 HH TYR 91 1.737 -12.087 -5.055 678 H GLU 92 H GLU 92 3.944 -6.123 0.955 679 HA GLU 92 HA GLU 92 1.719 -4.756 2.295 680 HB2 GLU 92 1HB GLU 92 3.436 -4.599 3.794 681 HB3 GLU 92 2HB GLU 92 4.673 -4.663 2.547 682 HG2 GLU 92 1HG GLU 92 4.531 -2.392 2.107 683 HG3 GLU 92 2HG GLU 92 2.932 -2.251 2.836 684 H PHE 93 H PHE 93 0.708 -3.124 1.337 685 HA PHE 93 HA PHE 93 2.014 -1.837 -0.971 686 HB2 PHE 93 1HB PHE 93 -0.896 -2.472 -0.479 687 HB3 PHE 93 2HB PHE 93 -0.362 -1.362 -1.736 688 HD1 PHE 93 2HD PHE 93 0.289 -4.825 -0.519 689 HD2 PHE 93 1HD PHE 93 -0.007 -2.190 -3.848 690 HE1 PHE 93 2HE PHE 93 0.622 -6.724 -2.047 691 HE2 PHE 93 1HE PHE 93 0.325 -4.085 -5.382 692 HZ PHE 93 HZ PHE 93 0.641 -6.356 -4.482 693 H SER 94 H SER 94 1.972 0.373 -1.136 694 HA SER 94 HA SER 94 0.471 1.953 0.779 695 HB2 SER 94 1HB SER 94 3.418 1.562 0.925 696 HB3 SER 94 2HB SER 94 2.808 3.196 1.189 697 HG SER 94 HG SER 94 1.526 2.402 2.863 698 H VAL 95 H VAL 95 0.808 4.330 0.380 699 HA VAL 95 HA VAL 95 1.634 4.914 -2.374 700 HB VAL 95 HB VAL 95 -0.978 5.869 -1.195 701 HG11 VAL 95 1HG1 VAL 95 0.176 6.178 -3.965 702 HG12 VAL 95 2HG1 VAL 95 -1.408 6.744 -3.432 703 HG13 VAL 95 3HG1 VAL 95 0.057 7.449 -2.749 704 HG21 VAL 95 3HG2 VAL 95 -0.285 3.527 -2.866 705 HG22 VAL 95 1HG2 VAL 95 -1.585 3.741 -1.694 706 HG23 VAL 95 2HG2 VAL 95 -1.735 4.426 -3.312 707 H MET 96 H MET 96 2.104 7.144 -2.777 708 HA MET 96 HA MET 96 2.159 8.970 -0.527 709 HB2 MET 96 1HB MET 96 4.614 9.410 -0.837 710 HB3 MET 96 2HB MET 96 4.229 7.852 -0.118 711 HG2 MET 96 1HG MET 96 4.635 6.729 -2.198 712 HG3 MET 96 2HG MET 96 4.850 8.266 -3.031 713 HE1 MET 96 3HE MET 96 7.839 9.722 -1.084 714 HE2 MET 96 1HE MET 96 7.670 9.590 -2.834 715 HE3 MET 96 2HE MET 96 6.278 10.030 -1.845 716 H VAL 97 H VAL 97 3.641 10.985 -1.411 717 HA VAL 97 HA VAL 97 2.950 11.511 -4.204 718 HB VAL 97 HB VAL 97 1.046 12.471 -3.255 719 HG11 VAL 97 1HG1 VAL 97 2.700 12.698 -0.922 720 HG12 VAL 97 2HG1 VAL 97 1.879 14.229 -1.232 721 HG13 VAL 97 3HG1 VAL 97 0.942 12.745 -1.053 722 HG21 VAL 97 3HG2 VAL 97 1.358 14.900 -3.442 723 HG22 VAL 97 1HG2 VAL 97 3.106 14.672 -3.376 724 HG23 VAL 97 2HG2 VAL 97 2.183 14.031 -4.736 725 H THR 98 H THR 98 4.375 12.814 -5.245 726 HA THR 98 HA THR 98 6.549 13.975 -3.625 727 HB THR 98 HB THR 98 6.730 12.757 -6.387 728 HG1 THR 98 1HG THR 98 7.915 11.174 -5.359 729 HG21 THR 98 3HG2 THR 98 8.227 14.853 -5.455 730 HG22 THR 98 1HG2 THR 98 8.749 13.700 -6.682 731 HG23 THR 98 2HG2 THR 98 9.208 13.461 -4.996 732 H LYS 99 H LYS 99 5.751 16.051 -3.516 733 HA LYS 99 HA LYS 99 5.616 17.489 -6.083 734 HB2 LYS 99 1HB LYS 99 3.372 17.419 -5.330 735 HB3 LYS 99 2HB LYS 99 3.837 17.749 -3.666 736 HG2 LYS 99 1HG LYS 99 4.479 19.800 -5.709 737 HG3 LYS 99 2HG LYS 99 2.791 19.604 -5.231 738 HD2 LYS 99 1HD LYS 99 4.827 19.752 -3.074 739 HD3 LYS 99 2HD LYS 99 4.449 21.239 -3.947 740 HE2 LYS 99 1HE LYS 99 2.100 20.993 -3.406 741 HE3 LYS 99 2HE LYS 99 2.417 19.447 -2.619 742 HZ1 LYS 99 3HZ LYS 99 3.027 20.468 -0.757 743 HZ2 LYS 99 1HZ LYS 99 2.392 21.893 -1.412 744 HZ3 LYS 99 2HZ LYS 99 4.041 21.552 -1.569 745 H ASN 100 H ASN 100 6.340 19.667 -6.060 746 HA ASN 100 HA ASN 100 7.594 21.456 -5.391 747 HB2 ASN 100 1HB ASN 100 6.304 21.115 -3.194 748 HB3 ASN 100 2HB ASN 100 7.748 20.287 -2.618 749 HD21 ASN 100 1HD2 ASN 100 7.146 22.310 -1.149 750 HD22 ASN 100 2HD2 ASN 100 8.113 23.704 -1.477 751 H ARG 101 H ARG 101 8.684 18.953 -6.387 752 HA ARG 101 HA ARG 101 10.713 18.023 -6.827 753 HB2 ARG 101 1HB ARG 101 11.725 20.475 -5.377 754 HB3 ARG 101 2HB ARG 101 12.739 19.356 -6.278 755 HG2 ARG 101 1HG ARG 101 11.413 19.890 -8.313 756 HG3 ARG 101 2HG ARG 101 10.564 21.121 -7.375 757 HD2 ARG 101 1HD ARG 101 13.556 21.043 -7.712 758 HD3 ARG 101 2HD ARG 101 12.481 21.962 -8.763 759 HE ARG 101 HE ARG 101 11.863 22.750 -6.203 760 HH11 ARG 101 1HH1 ARG 101 14.699 22.742 -8.223 761 HH12 ARG 101 2HH1 ARG 101 15.388 24.150 -7.485 762 HH21 ARG 101 1HH2 ARG 101 12.760 24.605 -5.223 763 HH22 ARG 101 2HH2 ARG 101 14.285 25.208 -5.778 764 H ARG 102 H ARG 102 9.245 17.426 -4.340 765 HA ARG 102 HA ARG 102 11.419 16.051 -2.972 766 HB2 ARG 102 1HB ARG 102 11.038 16.905 -0.855 767 HB3 ARG 102 2HB ARG 102 10.816 18.333 -1.858 768 HG2 ARG 102 1HG ARG 102 8.449 18.180 -1.693 769 HG3 ARG 102 2HG ARG 102 8.548 16.591 -0.931 770 HD2 ARG 102 1HD ARG 102 9.605 19.158 0.249 771 HD3 ARG 102 2HD ARG 102 8.074 18.399 0.681 772 HE ARG 102 HE ARG 102 10.704 17.608 1.532 773 HH11 ARG 102 1HH1 ARG 102 7.423 16.564 1.016 774 HH12 ARG 102 2HH1 ARG 102 7.523 15.256 2.147 775 HH21 ARG 102 1HH2 ARG 102 10.849 15.888 3.023 776 HH22 ARG 102 2HH2 ARG 102 9.472 14.872 3.289 777 H SER 103 H SER 103 10.717 14.257 -1.694 778 HA SER 103 HA SER 103 8.083 13.255 -2.530 779 HB2 SER 103 1HB SER 103 8.964 11.016 -2.175 780 HB3 SER 103 2HB SER 103 10.066 11.918 -3.215 781 HG SER 103 HG SER 103 10.533 12.027 -0.474 782 H SER 104 H SER 104 6.557 12.752 -1.070 783 HA SER 104 HA SER 104 7.087 13.410 1.714 784 HB2 SER 104 1HB SER 104 5.071 14.372 1.189 785 HB3 SER 104 2HB SER 104 4.657 13.119 0.019 786 HG SER 104 HG SER 104 3.806 11.927 1.567 787 H THR 105 H THR 105 5.774 11.961 3.323 788 HA THR 105 HA THR 105 6.974 9.362 3.205 789 HB THR 105 HB THR 105 6.697 10.627 5.333 790 HG1 THR 105 1HG THR 105 5.252 8.202 5.528 791 HG21 THR 105 3HG2 THR 105 4.465 11.536 4.941 792 HG22 THR 105 1HG2 THR 105 4.504 10.606 6.438 793 HG23 THR 105 2HG2 THR 105 3.783 9.911 4.987 794 H TRP 106 H TRP 106 5.609 7.395 3.784 795 HA TRP 106 HA TRP 106 3.478 7.202 1.818 796 HB2 TRP 106 1HB TRP 106 4.777 5.092 3.555 797 HB3 TRP 106 2HB TRP 106 3.574 4.773 2.308 798 HD1 TRP 106 HD TRP 106 7.240 5.808 2.734 799 HE1 TRP 106 1HE TRP 106 8.457 5.449 0.495 800 HE3 TRP 106 3HE TRP 106 3.217 4.650 -0.200 801 HZ2 TRP 106 2HZ TRP 106 7.799 4.766 -2.163 802 HZ3 TRP 106 3HZ TRP 106 3.596 4.157 -2.581 803 HH2 TRP 106 HH TRP 106 5.841 4.216 -3.540 804 H SER 107 H SER 107 1.428 6.173 2.333 805 HA SER 107 HA SER 107 0.450 7.057 4.947 806 HB2 SER 107 1HB SER 107 -0.840 7.929 3.131 807 HB3 SER 107 2HB SER 107 -0.967 6.341 2.375 808 HG SER 107 HG SER 107 -2.621 5.931 3.595 809 H MET 108 H MET 108 -1.504 5.619 5.714 810 HA MET 108 HA MET 108 -0.614 3.347 6.859 811 HB2 MET 108 1HB MET 108 -2.990 2.558 6.919 812 HB3 MET 108 2HB MET 108 -2.764 4.218 7.454 813 HG2 MET 108 1HG MET 108 -3.698 5.097 5.499 814 HG3 MET 108 2HG MET 108 -3.548 3.567 4.637 815 HE1 MET 108 3HE MET 108 -6.236 1.798 4.719 816 HE2 MET 108 1HE MET 108 -4.550 1.571 5.185 817 HE3 MET 108 2HE MET 108 -5.837 1.258 6.350 818 H THR 109 H THR 109 -0.109 1.318 6.296 819 HA THR 109 HA THR 109 -0.057 0.618 3.507 820 HB THR 109 HB THR 109 0.821 -0.849 5.992 821 HG1 THR 109 1HG THR 109 2.438 -0.051 3.816 822 HG21 THR 109 3HG2 THR 109 1.819 -2.526 4.486 823 HG22 THR 109 1HG2 THR 109 1.020 -1.755 3.117 824 HG23 THR 109 2HG2 THR 109 0.059 -2.513 4.387 825 H ALA 110 H ALA 110 -0.988 -1.291 2.592 826 HA ALA 110 HA ALA 110 -3.376 -2.263 4.019 827 HB1 ALA 110 3HB ALA 110 -3.217 -1.803 1.046 828 HB2 ALA 110 1HB ALA 110 -4.638 -2.250 1.992 829 HB3 ALA 110 2HB ALA 110 -3.914 -0.653 2.188 830 H HIS 111 H HIS 111 -3.416 -4.391 4.294 831 HA HIS 111 HA HIS 111 -1.518 -6.049 2.822 832 HB2 HIS 111 1HB HIS 111 -3.099 -6.401 5.347 833 HB3 HIS 111 2HB HIS 111 -2.443 -7.809 4.518 834 HD1 HIS 111 1HD HIS 111 0.254 -6.298 3.668 835 HD2 HIS 111 2HD HIS 111 -1.343 -6.589 7.492 836 HE1 HIS 111 1HE HIS 111 2.194 -5.970 5.233 837 HE2 HIS 111 2HE HIS 111 1.218 -6.235 7.540 838 H ALA 112 H ALA 112 -2.088 -7.413 1.253 839 HA ALA 112 HA ALA 112 -4.826 -8.396 1.081 840 HB1 ALA 112 3HB ALA 112 -3.534 -6.934 -1.218 841 HB2 ALA 112 1HB ALA 112 -5.118 -7.709 -1.224 842 HB3 ALA 112 2HB ALA 112 -4.830 -6.299 -0.204 843 H THR 113 H THR 113 -4.610 -10.521 0.910 844 HA THR 113 HA THR 113 -2.214 -11.684 -0.241 845 HB THR 113 HB THR 113 -4.587 -13.239 0.765 846 HG1 THR 113 1HG THR 113 -3.743 -13.063 2.831 847 HG21 THR 113 3HG2 THR 113 -2.274 -14.491 1.551 848 HG22 THR 113 1HG2 THR 113 -1.828 -13.811 -0.014 849 HG23 THR 113 2HG2 THR 113 -3.215 -14.893 0.115 850 H THR 114 H THR 114 -2.155 -13.064 -2.016 851 HA THR 114 HA THR 114 -4.225 -12.566 -3.994 852 HB THR 114 HB THR 114 -2.681 -13.780 -5.548 853 HG1 THR 114 1HG THR 114 -0.547 -14.179 -4.713 854 HG21 THR 114 3HG2 THR 114 -2.631 -11.266 -5.034 855 HG22 THR 114 1HG2 THR 114 -1.219 -11.965 -5.824 856 HG23 THR 114 2HG2 THR 114 -1.181 -11.619 -4.095 857 H TYR 115 H TYR 115 -5.240 -14.248 -5.207 858 HA TYR 115 HA TYR 115 -6.138 -16.411 -3.585 859 HB2 TYR 115 1HB TYR 115 -6.563 -16.010 -6.551 860 HB3 TYR 115 2HB TYR 115 -7.521 -17.022 -5.477 861 HD1 TYR 115 1HD TYR 115 -6.797 -13.585 -6.523 862 HD2 TYR 115 2HD TYR 115 -9.144 -16.042 -3.963 863 HE1 TYR 115 1HE TYR 115 -8.297 -11.686 -6.086 864 HE2 TYR 115 2HE TYR 115 -10.651 -14.150 -3.520 865 HH TYR 115 HH TYR 115 -9.910 -10.923 -4.583 866 H GLU 116 H GLU 116 -5.910 -18.654 -3.971 867 HA GLU 116 HA GLU 116 -3.276 -19.454 -4.652 868 HB2 GLU 116 1HB GLU 116 -5.088 -20.543 -3.067 869 HB3 GLU 116 2HB GLU 116 -5.512 -21.430 -4.525 870 HG2 GLU 116 1HG GLU 116 -3.251 -22.286 -4.695 871 HG3 GLU 116 2HG GLU 116 -2.773 -21.349 -3.281 872 H ALA 117 H ALA 117 -2.526 -19.503 -6.662 873 HA ALA 117 HA ALA 117 -3.879 -19.374 -9.023 874 HB1 ALA 117 3HB ALA 117 -1.883 -19.691 -10.036 875 HB2 ALA 117 1HB ALA 117 -1.279 -19.512 -8.388 876 HB3 ALA 117 2HB ALA 117 -1.499 -21.121 -9.078 877 H SER 118 H SER 118 -4.177 -21.014 -10.735 878 HA SER 118 HA SER 118 -5.222 -23.510 -9.579 879 HB2 SER 118 1HB SER 118 -6.741 -21.822 -10.845 880 HB3 SER 118 2HB SER 118 -5.978 -22.470 -12.297 881 HG SER 118 HG SER 118 -7.461 -23.952 -12.117 882 H GLY 119 H GLY 119 -4.863 -25.491 -10.643 883 HA2 GLY 119 1HA GLY 119 -3.468 -25.860 -13.028 884 HA3 GLY 119 2HA GLY 119 -2.275 -25.801 -11.739 885 HA PRO 120 HA PRO 120 -2.891 -30.108 -11.144 886 HB2 PRO 120 1HB PRO 120 -1.989 -30.338 -8.594 887 HB3 PRO 120 2HB PRO 120 -0.914 -30.081 -9.973 888 HG2 PRO 120 1HG PRO 120 -1.962 -28.096 -7.993 889 HG3 PRO 120 2HG PRO 120 -0.326 -28.258 -8.656 890 HD2 PRO 120 1HD PRO 120 -2.089 -26.414 -9.562 891 HD3 PRO 120 2HD PRO 120 -0.875 -27.172 -10.613 892 H SER 121 H SER 121 -4.518 -27.721 -9.310 893 HA SER 121 HA SER 121 -6.157 -29.686 -7.894 894 HB2 SER 121 1HB SER 121 -5.186 -27.457 -6.897 895 HB3 SER 121 2HB SER 121 -6.584 -26.727 -7.685 896 HG SER 121 HG SER 121 -6.496 -28.031 -5.375 897 H SER 122 H SER 122 -8.574 -29.028 -7.781 898 HA SER 122 HA SER 122 -9.605 -27.958 -10.279 899 HB2 SER 122 1HB SER 122 -9.235 -30.362 -10.754 900 HB3 SER 122 2HB SER 122 -10.276 -30.775 -9.391 901 HG SER 122 HG SER 122 -11.571 -30.818 -11.163 902 H GLY 123 H GLY 123 -12.068 -27.955 -10.236 903 HA2 GLY 123 1HA GLY 123 -12.908 -26.722 -7.805 904 HA3 GLY 123 2HA GLY 123 -13.917 -27.046 -9.207 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.730 6.955 -7.236 2 HA2 GLY 1 1HA GLY 1 -13.445 5.193 -5.455 3 HA3 GLY 1 2HA GLY 1 -14.159 6.739 -5.024 4 H SER 2 H SER 2 -16.508 6.769 -4.641 5 HA SER 2 HA SER 2 -18.424 5.979 -3.688 6 HB2 SER 2 1HB SER 2 -17.990 4.104 -5.490 7 HB3 SER 2 2HB SER 2 -17.594 3.128 -4.076 8 HG SER 2 HG SER 2 -19.638 3.004 -3.637 9 H SER 3 H SER 3 -16.239 6.607 -2.097 10 HA SER 3 HA SER 3 -15.878 4.520 -0.128 11 HB2 SER 3 1HB SER 3 -14.077 6.170 -0.781 12 HB3 SER 3 2HB SER 3 -15.004 7.407 0.069 13 HG SER 3 HG SER 3 -13.759 5.101 1.127 14 H GLY 4 H GLY 4 -16.791 4.396 1.870 15 HA2 GLY 4 1HA GLY 4 -19.323 5.432 2.325 16 HA3 GLY 4 2HA GLY 4 -18.270 4.795 3.580 17 H SER 5 H SER 5 -19.880 6.718 4.387 18 HA SER 5 HA SER 5 -18.510 9.285 4.153 19 HB2 SER 5 1HB SER 5 -21.209 8.400 5.051 20 HB3 SER 5 2HB SER 5 -20.553 9.868 5.775 21 HG SER 5 HG SER 5 -20.075 10.277 3.335 22 H SER 6 H SER 6 -16.653 9.006 5.359 23 HA SER 6 HA SER 6 -17.075 8.671 8.256 24 HB2 SER 6 1HB SER 6 -14.668 7.732 6.677 25 HB3 SER 6 2HB SER 6 -14.908 7.552 8.415 26 HG SER 6 HG SER 6 -16.439 6.053 8.067 27 H GLY 7 H GLY 7 -17.229 10.974 8.398 28 HA2 GLY 7 1HA GLY 7 -14.653 12.360 7.986 29 HA3 GLY 7 2HA GLY 7 -16.220 13.151 7.898 30 H PHE 8 H PHE 8 -14.294 14.226 9.483 31 HA PHE 8 HA PHE 8 -15.425 13.784 12.151 32 HB2 PHE 8 1HB PHE 8 -12.929 14.290 12.913 33 HB3 PHE 8 2HB PHE 8 -13.477 12.651 12.578 34 HD1 PHE 8 1HD PHE 8 -11.676 15.540 11.133 35 HD2 PHE 8 2HD PHE 8 -12.499 11.372 10.873 36 HE1 PHE 8 1HE PHE 8 -9.900 15.297 9.447 37 HE2 PHE 8 2HE PHE 8 -10.724 11.123 9.188 38 HZ PHE 8 HZ PHE 8 -9.421 13.087 8.474 39 HA PRO 9 HA PRO 9 -15.772 18.201 11.776 40 HB2 PRO 9 1HB PRO 9 -16.855 18.615 14.231 41 HB3 PRO 9 2HB PRO 9 -17.781 17.976 12.867 42 HG2 PRO 9 1HG PRO 9 -16.524 16.511 15.155 43 HG3 PRO 9 2HG PRO 9 -18.120 16.277 14.419 44 HD2 PRO 9 1HD PRO 9 -16.008 14.678 13.857 45 HD3 PRO 9 2HD PRO 9 -17.269 15.048 12.664 46 H THR 10 H THR 10 -13.939 16.440 14.102 47 HA THR 10 HA THR 10 -12.910 18.123 15.896 48 HB THR 10 HB THR 10 -10.886 16.675 14.235 49 HG1 THR 10 1HG THR 10 -11.890 14.928 15.919 50 HG21 THR 10 3HG2 THR 10 -10.415 17.930 16.414 51 HG22 THR 10 1HG2 THR 10 -9.824 16.273 16.296 52 HG23 THR 10 2HG2 THR 10 -11.288 16.623 17.215 53 H SER 11 H SER 11 -12.011 20.073 15.947 54 HA SER 11 HA SER 11 -11.755 21.800 13.867 55 HB2 SER 11 1HB SER 11 -10.205 23.112 15.262 56 HB3 SER 11 2HB SER 11 -11.548 22.485 16.217 57 HG SER 11 HG SER 11 -8.848 21.738 16.224 58 H VAL 12 H VAL 12 -10.300 22.297 12.307 59 HA VAL 12 HA VAL 12 -8.474 20.319 11.453 60 HB VAL 12 HB VAL 12 -9.565 21.884 9.897 61 HG11 VAL 12 1HG1 VAL 12 -7.644 23.990 10.850 62 HG12 VAL 12 2HG1 VAL 12 -9.015 24.169 9.753 63 HG13 VAL 12 3HG1 VAL 12 -9.291 23.863 11.468 64 HG21 VAL 12 3HG2 VAL 12 -6.643 21.457 9.983 65 HG22 VAL 12 1HG2 VAL 12 -7.825 20.991 8.760 66 HG23 VAL 12 2HG2 VAL 12 -7.228 22.650 8.823 67 HA PRO 13 HA PRO 13 -4.992 21.368 13.986 68 HB2 PRO 13 1HB PRO 13 -3.174 19.818 12.697 69 HB3 PRO 13 2HB PRO 13 -4.393 19.158 13.793 70 HG2 PRO 13 1HG PRO 13 -4.402 19.282 10.801 71 HG3 PRO 13 2HG PRO 13 -4.880 17.948 11.867 72 HD2 PRO 13 1HD PRO 13 -6.683 19.597 10.700 73 HD3 PRO 13 2HD PRO 13 -6.952 18.864 12.294 74 H ASP 14 H ASP 14 -2.752 22.187 13.685 75 HA ASP 14 HA ASP 14 -2.615 24.486 12.214 76 HB2 ASP 14 1HB ASP 14 -0.983 23.430 14.003 77 HB3 ASP 14 2HB ASP 14 -0.093 22.922 12.570 78 H LEU 15 H LEU 15 -1.716 25.111 10.240 79 HA LEU 15 HA LEU 15 -1.584 22.955 8.247 80 HB2 LEU 15 1HB LEU 15 -2.419 25.813 8.151 81 HB3 LEU 15 2HB LEU 15 -1.777 25.067 6.690 82 HG LEU 15 HG LEU 15 -3.576 23.270 7.055 83 HD11 LEU 15 1HD1 LEU 15 -5.457 25.006 8.256 84 HD12 LEU 15 2HD1 LEU 15 -4.056 24.919 9.322 85 HD13 LEU 15 3HD1 LEU 15 -4.884 23.441 8.833 86 HD21 LEU 15 3HD2 LEU 15 -4.116 26.101 6.212 87 HD22 LEU 15 1HD2 LEU 15 -5.334 24.834 6.066 88 HD23 LEU 15 2HD2 LEU 15 -3.803 24.688 5.203 89 H SER 16 H SER 16 0.635 23.657 9.978 90 HA SER 16 HA SER 16 2.508 24.991 8.171 91 HB2 SER 16 1HB SER 16 2.666 24.189 11.075 92 HB3 SER 16 2HB SER 16 4.078 24.743 10.176 93 HG SER 16 HG SER 16 2.006 26.174 11.211 94 H THR 17 H THR 17 1.865 21.880 9.657 95 HA THR 17 HA THR 17 4.131 20.447 9.303 96 HB THR 17 HB THR 17 2.649 18.484 8.641 97 HG1 THR 17 1HG THR 17 0.866 20.597 8.436 98 HG21 THR 17 3HG2 THR 17 1.584 18.364 10.841 99 HG22 THR 17 1HG2 THR 17 1.861 20.089 11.077 100 HG23 THR 17 2HG2 THR 17 3.230 18.982 10.970 101 HA PRO 18 HA PRO 18 5.251 20.332 5.059 102 HB2 PRO 18 1HB PRO 18 6.317 17.843 4.863 103 HB3 PRO 18 2HB PRO 18 7.124 19.170 5.708 104 HG2 PRO 18 1HG PRO 18 5.499 16.920 6.830 105 HG3 PRO 18 2HG PRO 18 7.027 17.599 7.419 106 HD2 PRO 18 1HD PRO 18 4.634 18.225 8.520 107 HD3 PRO 18 2HD PRO 18 5.984 19.376 8.453 108 H MET 19 H MET 19 5.311 18.292 3.277 109 HA MET 19 HA MET 19 2.855 18.184 2.136 110 HB2 MET 19 1HB MET 19 5.146 16.250 2.068 111 HB3 MET 19 2HB MET 19 3.660 15.883 1.201 112 HG2 MET 19 1HG MET 19 5.205 18.431 0.817 113 HG3 MET 19 2HG MET 19 5.474 16.977 -0.141 114 HE1 MET 19 3HE MET 19 3.906 16.533 -2.464 115 HE2 MET 19 1HE MET 19 3.400 15.657 -1.019 116 HE3 MET 19 2HE MET 19 2.198 16.465 -2.026 117 H LEU 20 H LEU 20 1.185 16.588 1.986 118 HA LEU 20 HA LEU 20 0.890 14.980 4.438 119 HB2 LEU 20 1HB LEU 20 -0.639 17.075 3.874 120 HB3 LEU 20 2HB LEU 20 -1.499 15.871 2.915 121 HG LEU 20 HG LEU 20 -2.468 16.236 5.166 122 HD11 LEU 20 1HD1 LEU 20 -2.074 13.632 5.778 123 HD12 LEU 20 2HD1 LEU 20 -1.573 13.653 4.088 124 HD13 LEU 20 3HD1 LEU 20 -3.188 14.204 4.536 125 HD21 LEU 20 3HD2 LEU 20 -1.212 16.287 6.994 126 HD22 LEU 20 1HD2 LEU 20 0.217 16.103 5.976 127 HD23 LEU 20 2HD2 LEU 20 -0.574 14.678 6.651 128 HA PRO 21 HA PRO 21 0.777 11.577 1.579 129 HB2 PRO 21 1HB PRO 21 0.267 9.659 3.431 130 HB3 PRO 21 2HB PRO 21 1.866 10.379 3.209 131 HG2 PRO 21 1HG PRO 21 -0.228 11.008 5.254 132 HG3 PRO 21 2HG PRO 21 1.524 10.836 5.464 133 HD2 PRO 21 1HD PRO 21 0.308 13.249 5.292 134 HD3 PRO 21 2HD PRO 21 1.953 12.963 4.688 135 HA PRO 22 HA PRO 22 -3.456 10.753 0.722 136 HB2 PRO 22 1HB PRO 22 -3.403 8.155 -0.064 137 HB3 PRO 22 2HB PRO 22 -2.753 9.471 -1.050 138 HG2 PRO 22 1HG PRO 22 -1.310 7.554 0.740 139 HG3 PRO 22 2HG PRO 22 -0.867 8.122 -0.880 140 HD2 PRO 22 1HD PRO 22 0.250 9.129 1.372 141 HD3 PRO 22 2HD PRO 22 -0.007 10.108 -0.087 142 H VAL 23 H VAL 23 -5.149 8.819 1.046 143 HA VAL 23 HA VAL 23 -4.871 7.636 3.703 144 HB VAL 23 HB VAL 23 -7.043 8.441 4.452 145 HG11 VAL 23 1HG1 VAL 23 -5.024 10.509 3.639 146 HG12 VAL 23 2HG1 VAL 23 -6.457 10.928 4.579 147 HG13 VAL 23 3HG1 VAL 23 -5.283 9.780 5.224 148 HG21 VAL 23 3HG2 VAL 23 -7.393 9.086 1.721 149 HG22 VAL 23 1HG2 VAL 23 -8.554 9.246 3.039 150 HG23 VAL 23 2HG2 VAL 23 -7.490 10.592 2.633 151 H GLY 24 H GLY 24 -7.215 6.503 4.131 152 HA2 GLY 24 1HA GLY 24 -8.311 4.546 3.577 153 HA3 GLY 24 2HA GLY 24 -8.816 5.495 2.187 154 H VAL 25 H VAL 25 -5.628 4.189 3.061 155 HA VAL 25 HA VAL 25 -5.193 3.261 0.385 156 HB VAL 25 HB VAL 25 -3.539 2.563 2.807 157 HG11 VAL 25 1HG1 VAL 25 -3.112 2.524 -0.152 158 HG12 VAL 25 2HG1 VAL 25 -1.739 2.718 0.940 159 HG13 VAL 25 3HG1 VAL 25 -2.757 1.281 1.047 160 HG21 VAL 25 3HG2 VAL 25 -4.035 5.060 2.480 161 HG22 VAL 25 1HG2 VAL 25 -2.348 4.565 2.623 162 HG23 VAL 25 2HG2 VAL 25 -3.028 4.933 1.038 163 H GLN 26 H GLN 26 -6.436 1.596 -0.266 164 HA GLN 26 HA GLN 26 -6.512 -0.800 1.447 165 HB2 GLN 26 1HB GLN 26 -8.729 0.169 1.130 166 HB3 GLN 26 2HB GLN 26 -8.517 0.127 -0.616 167 HG2 GLN 26 1HG GLN 26 -8.782 -2.154 -0.733 168 HG3 GLN 26 2HG GLN 26 -8.308 -2.401 0.947 169 HE21 GLN 26 1HE2 GLN 26 -10.098 -3.605 1.472 170 HE22 GLN 26 2HE2 GLN 26 -11.685 -2.931 1.583 171 H ALA 27 H ALA 27 -6.221 -2.829 0.486 172 HA ALA 27 HA ALA 27 -5.029 -2.752 -2.210 173 HB1 ALA 27 3HB ALA 27 -3.683 -4.747 -1.417 174 HB2 ALA 27 1HB ALA 27 -3.258 -3.185 -0.715 175 HB3 ALA 27 2HB ALA 27 -4.219 -4.337 0.212 176 H VAL 28 H VAL 28 -6.676 -3.457 -3.467 177 HA VAL 28 HA VAL 28 -8.244 -5.775 -2.642 178 HB VAL 28 HB VAL 28 -8.528 -4.150 -5.171 179 HG11 VAL 28 1HG1 VAL 28 -10.888 -5.425 -4.041 180 HG12 VAL 28 2HG1 VAL 28 -10.265 -5.454 -5.691 181 HG13 VAL 28 3HG1 VAL 28 -9.631 -6.577 -4.488 182 HG21 VAL 28 3HG2 VAL 28 -9.708 -2.574 -4.093 183 HG22 VAL 28 1HG2 VAL 28 -10.487 -3.747 -3.031 184 HG23 VAL 28 2HG2 VAL 28 -8.869 -3.156 -2.655 185 H ALA 29 H ALA 29 -8.069 -7.764 -3.507 186 HA ALA 29 HA ALA 29 -5.871 -8.225 -5.376 187 HB1 ALA 29 3HB ALA 29 -5.784 -9.593 -3.429 188 HB2 ALA 29 1HB ALA 29 -7.464 -10.092 -3.631 189 HB3 ALA 29 2HB ALA 29 -6.239 -10.631 -4.780 190 H LEU 30 H LEU 30 -6.338 -8.254 -7.470 191 HA LEU 30 HA LEU 30 -9.024 -8.821 -8.392 192 HB2 LEU 30 1HB LEU 30 -6.571 -8.262 -10.045 193 HB3 LEU 30 2HB LEU 30 -8.254 -8.142 -10.552 194 HG LEU 30 HG LEU 30 -7.132 -6.384 -8.390 195 HD11 LEU 30 1HD1 LEU 30 -6.132 -6.405 -10.951 196 HD12 LEU 30 2HD1 LEU 30 -6.080 -5.046 -9.829 197 HD13 LEU 30 3HD1 LEU 30 -7.379 -5.159 -11.017 198 HD21 LEU 30 3HD2 LEU 30 -9.072 -5.233 -8.546 199 HD22 LEU 30 1HD2 LEU 30 -9.676 -6.785 -9.129 200 HD23 LEU 30 2HD2 LEU 30 -9.235 -5.522 -10.279 201 H THR 31 H THR 31 -5.770 -10.144 -8.988 202 HA THR 31 HA THR 31 -6.919 -12.802 -9.265 203 HB THR 31 HB THR 31 -6.740 -11.560 -11.573 204 HG1 THR 31 1HG THR 31 -7.286 -13.711 -11.519 205 HG21 THR 31 3HG2 THR 31 -4.075 -12.761 -11.829 206 HG22 THR 31 1HG2 THR 31 -4.126 -11.314 -10.825 207 HG23 THR 31 2HG2 THR 31 -4.707 -11.253 -12.489 208 H HIS 32 H HIS 32 -5.076 -14.437 -9.668 209 HA HIS 32 HA HIS 32 -3.392 -14.583 -7.562 210 HB2 HIS 32 1HB HIS 32 -1.950 -16.081 -8.929 211 HB3 HIS 32 2HB HIS 32 -3.666 -16.449 -9.078 212 HD1 HIS 32 1HD HIS 32 -4.803 -15.255 -11.311 213 HD2 HIS 32 2HD HIS 32 -0.697 -15.893 -11.315 214 HE1 HIS 32 1HE HIS 32 -4.110 -15.156 -13.726 215 HE2 HIS 32 2HE HIS 32 -1.636 -15.629 -13.711 216 H ASP 33 H ASP 33 -2.562 -13.144 -10.706 217 HA ASP 33 HA ASP 33 -0.253 -11.852 -9.410 218 HB2 ASP 33 1HB ASP 33 0.781 -11.726 -11.620 219 HB3 ASP 33 2HB ASP 33 0.363 -13.392 -11.231 220 H ALA 34 H ALA 34 -2.746 -10.717 -9.071 221 HA ALA 34 HA ALA 34 -2.326 -8.140 -10.312 222 HB1 ALA 34 3HB ALA 34 -3.772 -9.532 -11.893 223 HB2 ALA 34 1HB ALA 34 -5.037 -9.378 -10.674 224 HB3 ALA 34 2HB ALA 34 -4.369 -7.936 -11.440 225 H VAL 35 H VAL 35 -2.693 -6.617 -8.841 226 HA VAL 35 HA VAL 35 -4.747 -7.057 -6.793 227 HB VAL 35 HB VAL 35 -1.846 -6.478 -6.304 228 HG11 VAL 35 1HG1 VAL 35 -4.167 -5.647 -4.576 229 HG12 VAL 35 2HG1 VAL 35 -2.522 -5.833 -3.963 230 HG13 VAL 35 3HG1 VAL 35 -2.869 -4.637 -5.212 231 HG21 VAL 35 3HG2 VAL 35 -3.892 -8.416 -5.305 232 HG22 VAL 35 1HG2 VAL 35 -2.276 -8.721 -5.944 233 HG23 VAL 35 2HG2 VAL 35 -2.473 -8.047 -4.326 234 H ARG 36 H ARG 36 -6.133 -5.441 -7.080 235 HA ARG 36 HA ARG 36 -5.291 -2.899 -8.158 236 HB2 ARG 36 1HB ARG 36 -7.394 -3.692 -8.933 237 HB3 ARG 36 2HB ARG 36 -7.958 -4.006 -7.297 238 HG2 ARG 36 1HG ARG 36 -9.082 -2.070 -7.942 239 HG3 ARG 36 2HG ARG 36 -7.757 -1.488 -6.932 240 HD2 ARG 36 1HD ARG 36 -7.810 -0.065 -8.814 241 HD3 ARG 36 2HD ARG 36 -6.448 -1.155 -9.069 242 HE ARG 36 HE ARG 36 -8.493 -2.390 -10.349 243 HH11 ARG 36 1HH1 ARG 36 -7.155 0.822 -10.484 244 HH12 ARG 36 2HH1 ARG 36 -7.563 1.062 -12.151 245 HH21 ARG 36 1HH2 ARG 36 -9.035 -2.085 -12.544 246 HH22 ARG 36 2HH2 ARG 36 -8.633 -0.591 -13.321 247 H VAL 37 H VAL 37 -4.361 -1.438 -6.890 248 HA VAL 37 HA VAL 37 -5.153 -1.278 -4.066 249 HB VAL 37 HB VAL 37 -2.750 -0.046 -5.422 250 HG11 VAL 37 1HG1 VAL 37 -3.723 1.013 -3.297 251 HG12 VAL 37 2HG1 VAL 37 -3.142 -0.435 -2.473 252 HG13 VAL 37 3HG1 VAL 37 -2.004 0.621 -3.312 253 HG21 VAL 37 3HG2 VAL 37 -1.820 -1.939 -3.671 254 HG22 VAL 37 1HG2 VAL 37 -3.246 -2.718 -4.358 255 HG23 VAL 37 2HG2 VAL 37 -1.960 -2.141 -5.418 256 H SER 38 H SER 38 -6.793 0.101 -3.793 257 HA SER 38 HA SER 38 -6.729 2.660 -5.248 258 HB2 SER 38 1HB SER 38 -9.137 2.789 -4.889 259 HB3 SER 38 2HB SER 38 -8.731 1.251 -5.650 260 HG SER 38 HG SER 38 -9.725 1.776 -3.118 261 H TRP 39 H TRP 39 -6.871 4.579 -4.155 262 HA TRP 39 HA TRP 39 -7.157 4.520 -1.245 263 HB2 TRP 39 1HB TRP 39 -5.163 5.939 -0.944 264 HB3 TRP 39 2HB TRP 39 -4.749 4.370 -1.629 265 HD1 TRP 39 HD TRP 39 -4.695 8.081 -2.409 266 HE1 TRP 39 1HE TRP 39 -3.412 8.461 -4.608 267 HE3 TRP 39 3HE TRP 39 -4.217 3.221 -3.920 268 HZ2 TRP 39 2HZ TRP 39 -2.341 6.906 -6.706 269 HZ3 TRP 39 3HZ TRP 39 -3.050 2.752 -6.035 270 HH2 TRP 39 HH TRP 39 -2.133 4.558 -7.398 271 H ALA 40 H ALA 40 -6.975 6.948 -0.447 272 HA ALA 40 HA ALA 40 -8.454 8.648 -2.344 273 HB1 ALA 40 3HB ALA 40 -10.204 8.141 -0.980 274 HB2 ALA 40 1HB ALA 40 -9.173 7.848 0.421 275 HB3 ALA 40 2HB ALA 40 -9.536 9.501 -0.077 276 H ASP 41 H ASP 41 -8.473 10.984 -1.612 277 HA ASP 41 HA ASP 41 -5.896 11.678 -0.361 278 HB2 ASP 41 1HB ASP 41 -5.820 12.068 -2.785 279 HB3 ASP 41 2HB ASP 41 -7.252 13.087 -2.670 280 H ASN 42 H ASN 42 -6.075 12.883 1.403 281 HA ASN 42 HA ASN 42 -8.533 14.465 1.776 282 HB2 ASN 42 1HB ASN 42 -6.961 12.757 3.655 283 HB3 ASN 42 2HB ASN 42 -7.770 14.183 4.299 284 HD21 ASN 42 1HD2 ASN 42 -10.067 14.276 2.883 285 HD22 ASN 42 2HD2 ASN 42 -11.025 12.873 3.198 286 H SER 43 H SER 43 -5.278 14.668 1.211 287 HA SER 43 HA SER 43 -4.306 16.631 2.898 288 HB2 SER 43 1HB SER 43 -3.048 15.367 1.082 289 HB3 SER 43 2HB SER 43 -3.704 16.539 -0.061 290 HG SER 43 HG SER 43 -2.760 18.074 1.689 291 H VAL 44 H VAL 44 -6.708 16.871 0.448 292 HA VAL 44 HA VAL 44 -6.506 19.756 0.209 293 HB VAL 44 HB VAL 44 -8.757 19.325 -1.084 294 HG11 VAL 44 1HG1 VAL 44 -6.312 18.212 -2.398 295 HG12 VAL 44 2HG1 VAL 44 -7.547 19.289 -3.055 296 HG13 VAL 44 3HG1 VAL 44 -6.360 19.904 -1.903 297 HG21 VAL 44 3HG2 VAL 44 -7.502 16.609 -1.365 298 HG22 VAL 44 1HG2 VAL 44 -8.791 16.932 -0.206 299 HG23 VAL 44 2HG2 VAL 44 -9.080 17.156 -1.932 300 HA PRO 45 HA PRO 45 -9.141 20.231 3.801 301 HB2 PRO 45 1HB PRO 45 -8.994 22.942 3.851 302 HB3 PRO 45 2HB PRO 45 -7.705 21.898 4.462 303 HG2 PRO 45 1HG PRO 45 -7.916 23.304 1.828 304 HG3 PRO 45 2HG PRO 45 -6.514 23.144 2.900 305 HD2 PRO 45 1HD PRO 45 -6.846 21.606 0.697 306 HD3 PRO 45 2HD PRO 45 -6.033 21.014 2.160 307 H LYS 46 H LYS 46 -9.630 21.179 0.577 308 HA LYS 46 HA LYS 46 -12.437 21.109 0.774 309 HB2 LYS 46 1HB LYS 46 -11.560 23.493 1.690 310 HB3 LYS 46 2HB LYS 46 -11.686 23.860 -0.025 311 HG2 LYS 46 1HG LYS 46 -13.787 24.419 0.582 312 HG3 LYS 46 2HG LYS 46 -14.058 22.695 0.317 313 HD2 LYS 46 1HD LYS 46 -14.181 22.232 2.564 314 HD3 LYS 46 2HD LYS 46 -13.175 23.611 3.013 315 HE2 LYS 46 1HE LYS 46 -14.931 25.092 2.921 316 HE3 LYS 46 2HE LYS 46 -15.838 24.111 1.771 317 HZ1 LYS 46 3HZ LYS 46 -16.502 22.643 3.464 318 HZ2 LYS 46 1HZ LYS 46 -16.725 24.191 4.108 319 HZ3 LYS 46 2HZ LYS 46 -15.388 23.267 4.573 320 H ASN 47 H ASN 47 -13.406 22.192 -1.357 321 HA ASN 47 HA ASN 47 -12.068 20.873 -3.523 322 HB2 ASN 47 1HB ASN 47 -14.630 22.407 -3.233 323 HB3 ASN 47 2HB ASN 47 -14.014 22.022 -4.837 324 HD21 ASN 47 1HD2 ASN 47 -15.855 20.732 -5.192 325 HD22 ASN 47 2HD2 ASN 47 -15.985 19.153 -4.503 326 H GLN 48 H GLN 48 -10.286 22.683 -2.666 327 HA GLN 48 HA GLN 48 -10.207 25.249 -3.492 328 HB2 GLN 48 1HB GLN 48 -7.998 23.222 -3.877 329 HB3 GLN 48 2HB GLN 48 -7.785 24.968 -3.902 330 HG2 GLN 48 1HG GLN 48 -8.821 23.413 -1.544 331 HG3 GLN 48 2HG GLN 48 -7.141 23.902 -1.764 332 HE21 GLN 48 1HE2 GLN 48 -8.909 24.616 0.381 333 HE22 GLN 48 2HE2 GLN 48 -9.059 26.337 0.359 334 H LYS 49 H LYS 49 -10.407 26.345 -5.332 335 HA LYS 49 HA LYS 49 -11.223 25.244 -7.723 336 HB2 LYS 49 1HB LYS 49 -11.106 27.738 -6.853 337 HB3 LYS 49 2HB LYS 49 -9.618 27.763 -7.789 338 HG2 LYS 49 1HG LYS 49 -11.222 28.557 -9.267 339 HG3 LYS 49 2HG LYS 49 -11.042 26.859 -9.717 340 HD2 LYS 49 1HD LYS 49 -13.007 26.436 -8.118 341 HD3 LYS 49 2HD LYS 49 -13.272 28.179 -8.200 342 HE2 LYS 49 1HE LYS 49 -14.669 27.061 -9.825 343 HE3 LYS 49 2HE LYS 49 -13.436 28.011 -10.653 344 HZ1 LYS 49 3HZ LYS 49 -12.689 25.272 -10.112 345 HZ2 LYS 49 1HZ LYS 49 -12.503 26.188 -11.522 346 HZ3 LYS 49 2HZ LYS 49 -13.984 25.442 -11.187 347 H THR 50 H THR 50 -8.007 26.716 -7.249 348 HA THR 50 HA THR 50 -6.963 25.212 -9.494 349 HB THR 50 HB THR 50 -4.903 26.463 -9.167 350 HG1 THR 50 1HG THR 50 -6.061 27.847 -6.995 351 HG21 THR 50 3HG2 THR 50 -5.697 28.452 -9.955 352 HG22 THR 50 1HG2 THR 50 -6.931 28.582 -8.703 353 HG23 THR 50 2HG2 THR 50 -7.179 27.506 -10.078 354 H SER 51 H SER 51 -6.565 23.118 -9.095 355 HA SER 51 HA SER 51 -5.324 22.355 -6.553 356 HB2 SER 51 1HB SER 51 -5.836 20.007 -7.354 357 HB3 SER 51 2HB SER 51 -7.245 21.027 -7.066 358 HG SER 51 HG SER 51 -6.159 21.038 -9.631 359 H GLU 52 H GLU 52 -3.186 22.257 -6.506 360 HA GLU 52 HA GLU 52 -1.515 22.346 -8.750 361 HB2 GLU 52 1HB GLU 52 -0.882 21.379 -5.955 362 HB3 GLU 52 2HB GLU 52 0.310 21.792 -7.180 363 HG2 GLU 52 1HG GLU 52 0.277 23.728 -5.992 364 HG3 GLU 52 2HG GLU 52 -0.970 24.085 -7.186 365 H VAL 53 H VAL 53 -0.301 20.801 -9.817 366 HA VAL 53 HA VAL 53 -1.422 18.123 -9.781 367 HB VAL 53 HB VAL 53 -1.090 19.073 -11.955 368 HG11 VAL 53 1HG1 VAL 53 1.769 19.186 -12.118 369 HG12 VAL 53 2HG1 VAL 53 0.583 20.452 -12.439 370 HG13 VAL 53 3HG1 VAL 53 1.204 20.217 -10.804 371 HG21 VAL 53 3HG2 VAL 53 -0.265 17.206 -12.927 372 HG22 VAL 53 1HG2 VAL 53 1.222 17.240 -11.977 373 HG23 VAL 53 2HG2 VAL 53 -0.263 16.604 -11.269 374 H ARG 54 H ARG 54 -0.344 16.263 -9.255 375 HA ARG 54 HA ARG 54 2.446 16.434 -8.410 376 HB2 ARG 54 1HB ARG 54 0.631 14.959 -6.576 377 HB3 ARG 54 2HB ARG 54 2.124 15.822 -6.228 378 HG2 ARG 54 1HG ARG 54 0.707 17.272 -5.251 379 HG3 ARG 54 2HG ARG 54 0.571 17.896 -6.896 380 HD2 ARG 54 1HD ARG 54 -1.369 16.354 -5.275 381 HD3 ARG 54 2HD ARG 54 -1.641 17.659 -6.429 382 HE ARG 54 HE ARG 54 -0.747 15.361 -7.791 383 HH11 ARG 54 1HH1 ARG 54 -3.531 16.600 -6.108 384 HH12 ARG 54 2HH1 ARG 54 -4.663 15.645 -7.008 385 HH21 ARG 54 1HH2 ARG 54 -2.226 14.100 -8.984 386 HH22 ARG 54 2HH2 ARG 54 -3.919 14.223 -8.643 387 H LEU 55 H LEU 55 2.973 14.027 -7.488 388 HA LEU 55 HA LEU 55 1.875 12.117 -9.439 389 HB2 LEU 55 1HB LEU 55 4.015 12.764 -10.272 390 HB3 LEU 55 2HB LEU 55 4.754 12.566 -8.684 391 HG LEU 55 HG LEU 55 3.889 10.053 -9.105 392 HD11 LEU 55 1HD1 LEU 55 4.687 9.654 -11.555 393 HD12 LEU 55 2HD1 LEU 55 4.195 11.332 -11.782 394 HD13 LEU 55 3HD1 LEU 55 3.021 10.136 -11.232 395 HD21 LEU 55 3HD2 LEU 55 6.136 10.657 -8.460 396 HD22 LEU 55 1HD2 LEU 55 6.466 11.281 -10.076 397 HD23 LEU 55 2HD2 LEU 55 6.195 9.554 -9.836 398 H TYR 56 H TYR 56 1.366 10.144 -8.666 399 HA TYR 56 HA TYR 56 1.899 9.655 -5.816 400 HB2 TYR 56 1HB TYR 56 -0.334 8.827 -7.649 401 HB3 TYR 56 2HB TYR 56 -0.018 7.938 -6.163 402 HD1 TYR 56 1HD TYR 56 -0.225 11.544 -7.153 403 HD2 TYR 56 2HD TYR 56 -1.411 8.502 -4.425 404 HE1 TYR 56 1HE TYR 56 -1.541 13.196 -5.891 405 HE2 TYR 56 2HE TYR 56 -2.731 10.145 -3.157 406 HH TYR 56 HH TYR 56 -3.881 12.451 -3.772 407 H THR 57 H THR 57 3.194 8.041 -5.240 408 HA THR 57 HA THR 57 4.076 6.154 -7.309 409 HB THR 57 HB THR 57 5.358 6.688 -4.624 410 HG1 THR 57 1HG THR 57 5.271 8.433 -6.389 411 HG21 THR 57 3HG2 THR 57 5.941 4.522 -5.553 412 HG22 THR 57 1HG2 THR 57 7.321 5.613 -5.673 413 HG23 THR 57 2HG2 THR 57 6.345 5.267 -7.100 414 H VAL 58 H VAL 58 4.383 3.910 -6.744 415 HA VAL 58 HA VAL 58 2.884 2.960 -4.417 416 HB VAL 58 HB VAL 58 2.409 1.796 -7.159 417 HG11 VAL 58 1HG1 VAL 58 0.295 1.067 -5.692 418 HG12 VAL 58 2HG1 VAL 58 1.778 0.114 -5.777 419 HG13 VAL 58 3HG1 VAL 58 1.499 1.193 -4.410 420 HG21 VAL 58 3HG2 VAL 58 0.464 3.036 -7.405 421 HG22 VAL 58 1HG2 VAL 58 0.392 3.451 -5.693 422 HG23 VAL 58 2HG2 VAL 58 1.588 4.219 -6.737 423 H ARG 59 H ARG 59 4.033 1.486 -3.367 424 HA ARG 59 HA ARG 59 5.870 -0.232 -4.894 425 HB2 ARG 59 1HB ARG 59 7.610 0.047 -3.332 426 HB3 ARG 59 2HB ARG 59 7.006 1.671 -3.630 427 HG2 ARG 59 1HG ARG 59 5.618 1.429 -1.553 428 HG3 ARG 59 2HG ARG 59 6.500 -0.066 -1.231 429 HD2 ARG 59 1HD ARG 59 8.539 1.066 -0.967 430 HD3 ARG 59 2HD ARG 59 7.920 2.532 -1.726 431 HE ARG 59 HE ARG 59 7.104 3.185 0.304 432 HH11 ARG 59 1HH1 ARG 59 7.763 -0.231 0.403 433 HH12 ARG 59 2HH1 ARG 59 7.449 -0.376 2.101 434 HH21 ARG 59 1HH2 ARG 59 6.688 3.009 2.540 435 HH22 ARG 59 2HH2 ARG 59 6.836 1.468 3.315 436 H TRP 60 H TRP 60 6.432 -2.246 -3.797 437 HA TRP 60 HA TRP 60 4.878 -3.085 -1.529 438 HB2 TRP 60 1HB TRP 60 3.774 -4.973 -2.779 439 HB3 TRP 60 2HB TRP 60 3.146 -3.371 -3.155 440 HD1 TRP 60 HD TRP 60 4.829 -6.356 -4.734 441 HE1 TRP 60 1HE TRP 60 5.050 -5.971 -7.270 442 HE3 TRP 60 3HE TRP 60 3.509 -1.420 -4.924 443 HZ2 TRP 60 2HZ TRP 60 4.710 -3.855 -9.107 444 HZ3 TRP 60 3HZ TRP 60 3.483 -0.290 -7.109 445 HH2 TRP 60 HH TRP 60 4.071 -1.483 -9.156 446 H ARG 61 H ARG 61 5.727 -4.878 -0.541 447 HA ARG 61 HA ARG 61 7.822 -6.370 -1.943 448 HB2 ARG 61 1HB ARG 61 8.838 -4.495 -0.596 449 HB3 ARG 61 2HB ARG 61 8.205 -5.278 0.845 450 HG2 ARG 61 1HG ARG 61 9.527 -7.338 -0.304 451 HG3 ARG 61 2HG ARG 61 10.515 -5.972 -0.826 452 HD2 ARG 61 1HD ARG 61 10.216 -5.305 1.737 453 HD3 ARG 61 2HD ARG 61 10.038 -7.052 1.893 454 HE ARG 61 HE ARG 61 12.277 -6.782 0.394 455 HH11 ARG 61 1HH1 ARG 61 11.248 -5.448 3.441 456 HH12 ARG 61 2HH1 ARG 61 12.855 -5.328 4.079 457 HH21 ARG 61 1HH2 ARG 61 14.397 -6.628 1.223 458 HH22 ARG 61 2HH2 ARG 61 14.645 -5.998 2.817 459 H THR 62 H THR 62 8.063 -8.487 -1.295 460 HA THR 62 HA THR 62 5.944 -9.941 -0.435 461 HB THR 62 HB THR 62 7.749 -11.595 0.502 462 HG1 THR 62 1HG THR 62 9.792 -10.975 -0.722 463 HG21 THR 62 3HG2 THR 62 6.535 -11.678 -1.712 464 HG22 THR 62 1HG2 THR 62 8.133 -12.423 -1.694 465 HG23 THR 62 2HG2 THR 62 7.912 -10.825 -2.408 466 H SER 63 H SER 63 4.848 -10.199 1.396 467 HA SER 63 HA SER 63 5.704 -8.845 3.790 468 HB2 SER 63 1HB SER 63 3.236 -10.303 2.929 469 HB3 SER 63 2HB SER 63 3.507 -10.030 4.650 470 HG SER 63 HG SER 63 3.874 -7.850 2.967 471 H PHE 64 H PHE 64 6.694 -9.696 5.505 472 HA PHE 64 HA PHE 64 7.575 -11.201 6.971 473 HB2 PHE 64 1HB PHE 64 5.984 -13.407 5.689 474 HB3 PHE 64 2HB PHE 64 6.492 -13.246 7.367 475 HD1 PHE 64 2HD PHE 64 5.562 -10.905 8.431 476 HD2 PHE 64 1HD PHE 64 3.740 -13.190 5.336 477 HE1 PHE 64 2HE PHE 64 3.378 -9.925 8.998 478 HE2 PHE 64 1HE PHE 64 1.553 -12.213 5.897 479 HZ PHE 64 HZ PHE 64 1.369 -10.579 7.731 480 H SER 65 H SER 65 8.792 -10.635 4.434 481 HA SER 65 HA SER 65 10.094 -13.191 3.786 482 HB2 SER 65 1HB SER 65 9.128 -12.081 1.851 483 HB3 SER 65 2HB SER 65 9.987 -10.590 2.238 484 HG SER 65 HG SER 65 11.896 -11.549 1.704 485 H ALA 66 H ALA 66 12.151 -13.536 4.327 486 HA ALA 66 HA ALA 66 13.552 -11.897 6.084 487 HB1 ALA 66 3HB ALA 66 13.926 -14.347 5.673 488 HB2 ALA 66 1HB ALA 66 14.831 -13.893 4.228 489 HB3 ALA 66 2HB ALA 66 15.391 -13.377 5.819 490 H SER 67 H SER 67 14.320 -12.479 2.645 491 HA SER 67 HA SER 67 15.328 -9.726 2.482 492 HB2 SER 67 1HB SER 67 17.296 -10.438 1.253 493 HB3 SER 67 2HB SER 67 17.247 -11.286 2.798 494 HG SER 67 HG SER 67 17.396 -13.017 1.625 495 H ALA 68 H ALA 68 14.369 -8.675 0.885 496 HA ALA 68 HA ALA 68 13.863 -9.981 -1.657 497 HB1 ALA 68 3HB ALA 68 11.555 -8.651 -0.263 498 HB2 ALA 68 1HB ALA 68 11.534 -9.620 -1.736 499 HB3 ALA 68 2HB ALA 68 11.848 -10.388 -0.179 500 H LYS 69 H LYS 69 12.802 -8.332 -3.207 501 HA LYS 69 HA LYS 69 14.182 -5.767 -2.815 502 HB2 LYS 69 1HB LYS 69 14.129 -5.530 -5.236 503 HB3 LYS 69 2HB LYS 69 14.846 -7.074 -4.796 504 HG2 LYS 69 1HG LYS 69 13.473 -7.746 -6.478 505 HG3 LYS 69 2HG LYS 69 12.373 -7.927 -5.109 506 HD2 LYS 69 1HD LYS 69 11.300 -5.855 -5.601 507 HD3 LYS 69 2HD LYS 69 12.528 -5.436 -6.798 508 HE2 LYS 69 1HE LYS 69 10.774 -6.168 -8.118 509 HE3 LYS 69 2HE LYS 69 11.769 -7.616 -7.974 510 HZ1 LYS 69 3HZ LYS 69 9.290 -7.879 -7.616 511 HZ2 LYS 69 1HZ LYS 69 9.511 -7.086 -6.139 512 HZ3 LYS 69 2HZ LYS 69 10.299 -8.552 -6.437 513 H TYR 70 H TYR 70 13.136 -3.805 -3.395 514 HA TYR 70 HA TYR 70 10.232 -3.925 -3.018 515 HB2 TYR 70 1HB TYR 70 12.340 -1.915 -2.410 516 HB3 TYR 70 2HB TYR 70 10.733 -1.310 -2.797 517 HD1 TYR 70 2HD TYR 70 12.682 -3.353 -0.429 518 HD2 TYR 70 1HD TYR 70 8.913 -1.564 -1.264 519 HE1 TYR 70 2HE TYR 70 11.968 -3.792 1.884 520 HE2 TYR 70 1HE TYR 70 8.188 -1.997 1.047 521 HH TYR 70 HH TYR 70 10.308 -2.854 3.506 522 H LYS 71 H LYS 71 8.843 -3.372 -4.575 523 HA LYS 71 HA LYS 71 9.937 -2.491 -7.141 524 HB2 LYS 71 1HB LYS 71 8.263 -4.495 -6.699 525 HB3 LYS 71 2HB LYS 71 7.062 -3.212 -6.780 526 HG2 LYS 71 1HG LYS 71 7.423 -2.823 -9.003 527 HG3 LYS 71 2HG LYS 71 9.091 -3.396 -8.946 528 HD2 LYS 71 1HD LYS 71 8.020 -5.705 -8.452 529 HD3 LYS 71 2HD LYS 71 6.551 -4.976 -9.105 530 HE2 LYS 71 1HE LYS 71 7.447 -5.883 -11.009 531 HE3 LYS 71 2HE LYS 71 8.156 -4.270 -11.061 532 HZ1 LYS 71 3HZ LYS 71 10.048 -5.437 -9.725 533 HZ2 LYS 71 1HZ LYS 71 9.984 -5.569 -11.411 534 HZ3 LYS 71 2HZ LYS 71 9.429 -6.839 -10.441 535 H SER 72 H SER 72 8.909 -0.801 -8.351 536 HA SER 72 HA SER 72 7.165 1.012 -6.875 537 HB2 SER 72 1HB SER 72 8.636 2.960 -7.454 538 HB3 SER 72 2HB SER 72 9.343 1.857 -6.274 539 HG SER 72 HG SER 72 10.243 2.548 -8.728 540 H GLU 73 H GLU 73 5.825 2.208 -8.162 541 HA GLU 73 HA GLU 73 6.291 2.296 -11.035 542 HB2 GLU 73 1HB GLU 73 5.026 0.194 -10.602 543 HB3 GLU 73 2HB GLU 73 3.739 1.155 -9.886 544 HG2 GLU 73 1HG GLU 73 3.664 0.367 -12.400 545 HG3 GLU 73 2HG GLU 73 2.997 1.916 -11.887 546 H ASP 74 H ASP 74 5.517 4.111 -11.966 547 HA ASP 74 HA ASP 74 4.314 6.091 -10.214 548 HB2 ASP 74 1HB ASP 74 5.040 7.698 -11.715 549 HB3 ASP 74 2HB ASP 74 6.249 6.439 -11.949 550 H THR 75 H THR 75 2.300 6.951 -10.419 551 HA THR 75 HA THR 75 0.628 6.284 -12.692 552 HB THR 75 HB THR 75 0.187 4.324 -11.410 553 HG1 THR 75 1HG THR 75 -1.783 4.881 -12.041 554 HG21 THR 75 3HG2 THR 75 0.456 4.252 -9.201 555 HG22 THR 75 1HG2 THR 75 -0.892 5.366 -8.980 556 HG23 THR 75 2HG2 THR 75 0.743 5.992 -9.191 557 H THR 76 H THR 76 -0.667 7.943 -13.152 558 HA THR 76 HA THR 76 -0.882 10.120 -11.219 559 HB THR 76 HB THR 76 -1.904 11.360 -13.186 560 HG1 THR 76 1HG THR 76 -2.482 9.895 -14.662 561 HG21 THR 76 3HG2 THR 76 0.167 12.042 -13.918 562 HG22 THR 76 1HG2 THR 76 0.810 10.401 -13.968 563 HG23 THR 76 2HG2 THR 76 0.612 11.223 -12.421 564 H SER 77 H SER 77 -2.389 7.833 -10.601 565 HA SER 77 HA SER 77 -5.074 8.983 -10.675 566 HB2 SER 77 1HB SER 77 -4.388 6.180 -11.577 567 HB3 SER 77 2HB SER 77 -6.022 6.685 -11.148 568 HG SER 77 HG SER 77 -5.359 6.818 -13.452 569 H LEU 78 H LEU 78 -6.566 7.690 -9.183 570 HA LEU 78 HA LEU 78 -5.109 7.219 -6.696 571 HB2 LEU 78 1HB LEU 78 -8.045 7.602 -7.257 572 HB3 LEU 78 2HB LEU 78 -7.363 7.321 -5.656 573 HG LEU 78 HG LEU 78 -6.498 9.666 -7.314 574 HD11 LEU 78 1HD1 LEU 78 -9.036 9.299 -5.802 575 HD12 LEU 78 2HD1 LEU 78 -8.729 10.180 -7.299 576 HD13 LEU 78 3HD1 LEU 78 -8.229 10.867 -5.753 577 HD21 LEU 78 3HD2 LEU 78 -6.761 9.702 -4.364 578 HD22 LEU 78 1HD2 LEU 78 -5.541 10.435 -5.406 579 HD23 LEU 78 2HD2 LEU 78 -5.473 8.709 -5.048 580 H SER 79 H SER 79 -5.266 5.261 -8.940 581 HA SER 79 HA SER 79 -5.798 2.943 -7.331 582 HB2 SER 79 1HB SER 79 -7.493 1.950 -8.798 583 HB3 SER 79 2HB SER 79 -8.076 3.469 -8.119 584 HG SER 79 HG SER 79 -6.754 3.610 -10.560 585 H TYR 80 H TYR 80 -4.289 1.504 -7.824 586 HA TYR 80 HA TYR 80 -3.226 1.459 -10.571 587 HB2 TYR 80 1HB TYR 80 -1.556 2.478 -9.165 588 HB3 TYR 80 2HB TYR 80 -1.711 1.195 -7.969 589 HD1 TYR 80 1HD TYR 80 -0.573 1.932 -11.418 590 HD2 TYR 80 2HD TYR 80 -0.459 -0.800 -8.158 591 HE1 TYR 80 1HE TYR 80 1.226 0.683 -12.536 592 HE2 TYR 80 2HE TYR 80 1.342 -2.056 -9.267 593 HH TYR 80 HH TYR 80 3.247 -1.195 -11.230 594 H THR 81 H THR 81 -2.524 -0.563 -11.363 595 HA THR 81 HA THR 81 -3.665 -2.862 -9.914 596 HB THR 81 HB THR 81 -3.227 -2.610 -12.895 597 HG1 THR 81 1HG THR 81 -5.708 -2.591 -11.504 598 HG21 THR 81 3HG2 THR 81 -4.818 -4.663 -11.361 599 HG22 THR 81 1HG2 THR 81 -3.164 -4.918 -11.914 600 HG23 THR 81 2HG2 THR 81 -4.454 -4.656 -13.087 601 H ALA 82 H ALA 82 -1.938 -3.657 -8.812 602 HA ALA 82 HA ALA 82 0.689 -3.821 -9.922 603 HB1 ALA 82 3HB ALA 82 1.205 -4.039 -7.777 604 HB2 ALA 82 1HB ALA 82 -0.506 -4.165 -7.371 605 HB3 ALA 82 2HB ALA 82 0.421 -5.619 -7.744 606 H THR 83 H THR 83 0.970 -5.096 -11.657 607 HA THR 83 HA THR 83 -0.181 -7.802 -11.615 608 HB THR 83 HB THR 83 0.182 -7.870 -14.023 609 HG1 THR 83 1HG THR 83 0.806 -5.632 -14.899 610 HG21 THR 83 3HG2 THR 83 -1.430 -6.198 -14.708 611 HG22 THR 83 1HG2 THR 83 -1.141 -5.272 -13.236 612 HG23 THR 83 2HG2 THR 83 -1.902 -6.860 -13.144 613 H GLY 84 H GLY 84 1.144 -9.574 -12.420 614 HA2 GLY 84 1HA GLY 84 3.123 -10.748 -12.684 615 HA3 GLY 84 2HA GLY 84 3.996 -9.225 -12.610 616 H LEU 85 H LEU 85 1.792 -10.688 -10.244 617 HA LEU 85 HA LEU 85 3.959 -10.513 -8.265 618 HB2 LEU 85 1HB LEU 85 1.078 -10.923 -7.575 619 HB3 LEU 85 2HB LEU 85 2.365 -10.217 -6.600 620 HG LEU 85 HG LEU 85 1.365 -8.824 -9.059 621 HD11 LEU 85 1HD1 LEU 85 0.082 -8.951 -6.356 622 HD12 LEU 85 2HD1 LEU 85 -0.663 -9.068 -7.950 623 HD13 LEU 85 3HD1 LEU 85 -0.065 -7.515 -7.369 624 HD21 LEU 85 3HD2 LEU 85 1.997 -6.871 -7.457 625 HD22 LEU 85 1HD2 LEU 85 3.265 -7.761 -8.298 626 HD23 LEU 85 2HD2 LEU 85 2.916 -8.113 -6.606 627 H LYS 86 H LYS 86 3.409 -12.183 -6.362 628 HA LYS 86 HA LYS 86 3.531 -14.807 -7.642 629 HB2 LYS 86 1HB LYS 86 5.323 -14.126 -6.063 630 HB3 LYS 86 2HB LYS 86 4.124 -14.032 -4.779 631 HG2 LYS 86 1HG LYS 86 3.635 -16.463 -5.213 632 HG3 LYS 86 2HG LYS 86 5.059 -16.476 -6.256 633 HD2 LYS 86 1HD LYS 86 5.111 -15.603 -3.372 634 HD3 LYS 86 2HD LYS 86 5.454 -17.252 -3.899 635 HE2 LYS 86 1HE LYS 86 6.928 -14.854 -4.964 636 HE3 LYS 86 2HE LYS 86 7.457 -15.744 -3.537 637 HZ1 LYS 86 3HZ LYS 86 8.396 -16.359 -5.851 638 HZ2 LYS 86 1HZ LYS 86 6.936 -17.192 -6.044 639 HZ3 LYS 86 2HZ LYS 86 7.977 -17.594 -4.773 640 HA PRO 87 HA PRO 87 -0.601 -15.780 -6.409 641 HB2 PRO 87 1HB PRO 87 -0.467 -18.463 -6.803 642 HB3 PRO 87 2HB PRO 87 -0.583 -17.302 -8.130 643 HG2 PRO 87 1HG PRO 87 1.830 -18.702 -7.042 644 HG3 PRO 87 2HG PRO 87 1.371 -18.411 -8.731 645 HD2 PRO 87 1HD PRO 87 3.206 -16.897 -7.438 646 HD3 PRO 87 2HD PRO 87 2.142 -16.239 -8.698 647 H ASN 88 H ASN 88 -1.728 -16.771 -4.704 648 HA ASN 88 HA ASN 88 -2.017 -17.350 -2.519 649 HB2 ASN 88 1HB ASN 88 -1.078 -19.441 -1.859 650 HB3 ASN 88 2HB ASN 88 -1.349 -19.541 -3.597 651 HD21 ASN 88 1HD2 ASN 88 0.294 -20.103 -4.851 652 HD22 ASN 88 2HD2 ASN 88 1.946 -20.199 -4.356 653 H THR 89 H THR 89 -0.144 -15.186 -3.088 654 HA THR 89 HA THR 89 1.339 -15.266 -0.555 655 HB THR 89 HB THR 89 2.572 -13.894 -2.915 656 HG1 THR 89 1HG THR 89 2.045 -16.393 -3.060 657 HG21 THR 89 3HG2 THR 89 4.606 -14.198 -1.696 658 HG22 THR 89 1HG2 THR 89 3.829 -15.301 -0.561 659 HG23 THR 89 2HG2 THR 89 3.400 -13.591 -0.562 660 H MET 90 H MET 90 1.344 -13.385 0.594 661 HA MET 90 HA MET 90 -0.126 -11.125 -0.595 662 HB2 MET 90 1HB MET 90 -1.413 -12.069 1.193 663 HB3 MET 90 2HB MET 90 -0.014 -12.102 2.259 664 HG2 MET 90 1HG MET 90 0.031 -9.649 2.253 665 HG3 MET 90 2HG MET 90 -1.399 -9.640 1.224 666 HE1 MET 90 3HE MET 90 -1.235 -11.637 5.275 667 HE2 MET 90 1HE MET 90 0.102 -11.277 4.181 668 HE3 MET 90 2HE MET 90 -0.458 -10.053 5.321 669 H TYR 91 H TYR 91 0.533 -8.994 -0.017 670 HA TYR 91 HA TYR 91 3.135 -8.711 1.274 671 HB2 TYR 91 1HB TYR 91 2.904 -7.117 -1.187 672 HB3 TYR 91 2HB TYR 91 4.286 -7.989 -0.533 673 HD1 TYR 91 1HD TYR 91 4.100 -10.623 -0.700 674 HD2 TYR 91 2HD TYR 91 1.946 -7.886 -3.143 675 HE1 TYR 91 1HE TYR 91 3.797 -12.382 -2.393 676 HE2 TYR 91 2HE TYR 91 1.636 -9.637 -4.842 677 HH TYR 91 HH TYR 91 1.640 -12.457 -4.601 678 H GLU 92 H GLU 92 3.692 -6.168 1.085 679 HA GLU 92 HA GLU 92 1.296 -4.813 2.120 680 HB2 GLU 92 1HB GLU 92 2.585 -3.776 3.674 681 HB3 GLU 92 2HB GLU 92 3.638 -5.155 3.392 682 HG2 GLU 92 1HG GLU 92 3.897 -2.496 2.008 683 HG3 GLU 92 2HG GLU 92 4.822 -2.989 3.425 684 H PHE 93 H PHE 93 0.674 -2.831 1.355 685 HA PHE 93 HA PHE 93 2.217 -1.723 -0.893 686 HB2 PHE 93 1HB PHE 93 -0.772 -2.139 -0.736 687 HB3 PHE 93 2HB PHE 93 0.010 -1.137 -1.954 688 HD1 PHE 93 2HD PHE 93 -0.233 -4.588 -0.647 689 HD2 PHE 93 1HD PHE 93 0.961 -2.085 -3.877 690 HE1 PHE 93 2HE PHE 93 0.107 -6.575 -2.057 691 HE2 PHE 93 1HE PHE 93 1.302 -4.069 -5.292 692 HZ PHE 93 HZ PHE 93 0.876 -6.318 -4.382 693 H SER 94 H SER 94 2.431 0.457 -0.946 694 HA SER 94 HA SER 94 0.824 2.083 0.882 695 HB2 SER 94 1HB SER 94 3.163 1.316 1.822 696 HB3 SER 94 2HB SER 94 3.772 2.594 0.772 697 HG SER 94 HG SER 94 2.320 2.765 3.113 698 H VAL 95 H VAL 95 0.552 4.215 0.253 699 HA VAL 95 HA VAL 95 1.615 4.891 -2.414 700 HB VAL 95 HB VAL 95 -1.009 5.834 -1.255 701 HG11 VAL 95 1HG1 VAL 95 0.070 7.315 -2.921 702 HG12 VAL 95 2HG1 VAL 95 0.049 5.980 -4.075 703 HG13 VAL 95 3HG1 VAL 95 -1.467 6.652 -3.474 704 HG21 VAL 95 3HG2 VAL 95 -0.727 3.831 -3.471 705 HG22 VAL 95 1HG2 VAL 95 -0.788 3.330 -1.781 706 HG23 VAL 95 2HG2 VAL 95 -2.143 4.207 -2.490 707 H MET 96 H MET 96 2.111 7.088 -2.831 708 HA MET 96 HA MET 96 2.103 8.950 -0.598 709 HB2 MET 96 1HB MET 96 4.521 9.436 -0.849 710 HB3 MET 96 2HB MET 96 4.207 7.812 -0.252 711 HG2 MET 96 1HG MET 96 5.787 7.332 -1.800 712 HG3 MET 96 2HG MET 96 4.354 7.223 -2.819 713 HE1 MET 96 3HE MET 96 6.198 10.517 -1.441 714 HE2 MET 96 1HE MET 96 7.414 9.272 -1.729 715 HE3 MET 96 2HE MET 96 7.363 10.707 -2.752 716 H VAL 97 H VAL 97 3.527 10.994 -1.508 717 HA VAL 97 HA VAL 97 2.820 11.484 -4.300 718 HB VAL 97 HB VAL 97 0.864 12.302 -3.181 719 HG11 VAL 97 1HG1 VAL 97 1.148 14.176 -1.468 720 HG12 VAL 97 2HG1 VAL 97 1.504 12.531 -0.935 721 HG13 VAL 97 3HG1 VAL 97 2.821 13.635 -1.334 722 HG21 VAL 97 3HG2 VAL 97 0.797 14.488 -4.012 723 HG22 VAL 97 1HG2 VAL 97 2.502 14.770 -3.660 724 HG23 VAL 97 2HG2 VAL 97 2.040 13.699 -4.982 725 H THR 98 H THR 98 4.013 13.133 -5.288 726 HA THR 98 HA THR 98 6.214 14.249 -3.678 727 HB THR 98 HB THR 98 6.391 13.105 -6.471 728 HG1 THR 98 1HG THR 98 6.591 11.848 -4.302 729 HG21 THR 98 3HG2 THR 98 8.225 14.315 -6.862 730 HG22 THR 98 1HG2 THR 98 8.905 13.899 -5.289 731 HG23 THR 98 2HG2 THR 98 7.815 15.277 -5.442 732 H LYS 99 H LYS 99 5.482 16.311 -3.485 733 HA LYS 99 HA LYS 99 5.092 17.804 -5.995 734 HB2 LYS 99 1HB LYS 99 3.040 17.350 -4.385 735 HB3 LYS 99 2HB LYS 99 3.731 18.699 -3.492 736 HG2 LYS 99 1HG LYS 99 3.634 20.052 -5.572 737 HG3 LYS 99 2HG LYS 99 2.792 18.710 -6.351 738 HD2 LYS 99 1HD LYS 99 1.006 19.970 -5.662 739 HD3 LYS 99 2HD LYS 99 1.211 18.922 -4.256 740 HE2 LYS 99 1HE LYS 99 0.896 21.293 -3.646 741 HE3 LYS 99 2HE LYS 99 2.444 20.648 -3.101 742 HZ1 LYS 99 3HZ LYS 99 3.496 22.204 -4.245 743 HZ2 LYS 99 1HZ LYS 99 2.009 22.899 -4.656 744 HZ3 LYS 99 2HZ LYS 99 2.721 21.758 -5.681 745 H ASN 100 H ASN 100 5.648 20.080 -5.882 746 HA ASN 100 HA ASN 100 7.035 21.812 -5.378 747 HB2 ASN 100 1HB ASN 100 6.454 20.628 -2.711 748 HB3 ASN 100 2HB ASN 100 7.806 21.753 -2.813 749 HD21 ASN 100 1HD2 ASN 100 6.496 23.057 -1.380 750 HD22 ASN 100 2HD2 ASN 100 5.276 24.081 -2.048 751 H ARG 101 H ARG 101 8.159 19.512 -6.512 752 HA ARG 101 HA ARG 101 10.156 18.510 -6.946 753 HB2 ARG 101 1HB ARG 101 10.956 21.131 -5.741 754 HB3 ARG 101 2HB ARG 101 12.193 19.939 -6.115 755 HG2 ARG 101 1HG ARG 101 10.191 20.791 -8.172 756 HG3 ARG 101 2HG ARG 101 11.654 21.729 -7.864 757 HD2 ARG 101 1HD ARG 101 13.047 20.060 -8.639 758 HD3 ARG 101 2HD ARG 101 11.863 18.789 -8.333 759 HE ARG 101 HE ARG 101 11.010 20.617 -10.359 760 HH11 ARG 101 1HH1 ARG 101 12.990 17.823 -9.732 761 HH12 ARG 101 2HH1 ARG 101 12.914 17.242 -11.362 762 HH21 ARG 101 1HH2 ARG 101 10.902 19.862 -12.508 763 HH22 ARG 101 2HH2 ARG 101 11.727 18.403 -12.941 764 H ARG 102 H ARG 102 8.765 17.906 -4.418 765 HA ARG 102 HA ARG 102 10.999 16.575 -3.096 766 HB2 ARG 102 1HB ARG 102 10.443 17.311 -0.909 767 HB3 ARG 102 2HB ARG 102 10.526 18.755 -1.907 768 HG2 ARG 102 1HG ARG 102 8.236 19.077 -1.865 769 HG3 ARG 102 2HG ARG 102 7.907 17.394 -1.447 770 HD2 ARG 102 1HD ARG 102 9.181 19.452 0.354 771 HD3 ARG 102 2HD ARG 102 7.515 18.882 0.453 772 HE ARG 102 HE ARG 102 8.273 16.865 1.340 773 HH11 ARG 102 1HH1 ARG 102 10.920 18.961 0.493 774 HH12 ARG 102 2HH1 ARG 102 12.095 18.054 1.387 775 HH21 ARG 102 1HH2 ARG 102 9.811 15.662 2.520 776 HH22 ARG 102 2HH2 ARG 102 11.463 16.177 2.538 777 H SER 103 H SER 103 10.372 14.752 -1.824 778 HA SER 103 HA SER 103 7.827 13.608 -2.717 779 HB2 SER 103 1HB SER 103 10.387 12.409 -1.679 780 HB3 SER 103 2HB SER 103 8.897 11.467 -1.737 781 HG SER 103 HG SER 103 8.892 12.330 -4.053 782 H SER 104 H SER 104 6.364 12.656 -1.282 783 HA SER 104 HA SER 104 6.468 13.771 1.419 784 HB2 SER 104 1HB SER 104 4.415 14.271 0.331 785 HB3 SER 104 2HB SER 104 4.232 12.614 -0.246 786 HG SER 104 HG SER 104 3.585 11.982 1.707 787 H THR 105 H THR 105 5.132 12.215 3.007 788 HA THR 105 HA THR 105 6.785 9.841 3.228 789 HB THR 105 HB THR 105 6.327 11.305 5.203 790 HG1 THR 105 1HG THR 105 5.292 8.688 5.600 791 HG21 THR 105 3HG2 THR 105 4.130 10.982 6.342 792 HG22 THR 105 1HG2 THR 105 3.543 10.184 4.884 793 HG23 THR 105 2HG2 THR 105 4.022 11.880 4.829 794 H TRP 106 H TRP 106 5.834 7.741 3.765 795 HA TRP 106 HA TRP 106 3.650 7.133 1.972 796 HB2 TRP 106 1HB TRP 106 5.229 5.290 3.778 797 HB3 TRP 106 2HB TRP 106 4.148 4.797 2.477 798 HD1 TRP 106 HD TRP 106 7.597 6.375 3.064 799 HE1 TRP 106 1HE TRP 106 8.969 6.164 0.896 800 HE3 TRP 106 3HE TRP 106 3.953 4.563 -0.032 801 HZ2 TRP 106 2HZ TRP 106 8.561 5.340 -1.772 802 HZ3 TRP 106 3HZ TRP 106 4.526 4.090 -2.377 803 HH2 TRP 106 HH TRP 106 6.783 4.472 -3.228 804 H SER 107 H SER 107 1.608 6.565 2.509 805 HA SER 107 HA SER 107 0.722 7.154 5.187 806 HB2 SER 107 1HB SER 107 -0.616 7.859 3.251 807 HB3 SER 107 2HB SER 107 -0.831 6.173 2.778 808 HG SER 107 HG SER 107 -2.322 5.957 4.250 809 H MET 108 H MET 108 -1.152 5.554 5.958 810 HA MET 108 HA MET 108 0.024 3.337 7.055 811 HB2 MET 108 1HB MET 108 -2.336 2.441 7.300 812 HB3 MET 108 2HB MET 108 -2.052 4.053 7.942 813 HG2 MET 108 1HG MET 108 -3.356 5.062 6.381 814 HG3 MET 108 2HG MET 108 -3.025 3.841 5.154 815 HE1 MET 108 3HE MET 108 -5.226 0.958 5.884 816 HE2 MET 108 1HE MET 108 -5.365 2.088 4.536 817 HE3 MET 108 2HE MET 108 -3.773 1.624 5.136 818 H THR 109 H THR 109 0.758 1.479 6.276 819 HA THR 109 HA THR 109 0.421 0.766 3.537 820 HB THR 109 HB THR 109 1.568 -0.931 5.760 821 HG1 THR 109 1HG THR 109 2.537 1.242 5.355 822 HG21 THR 109 3HG2 THR 109 2.918 -1.820 3.768 823 HG22 THR 109 1HG2 THR 109 1.685 -1.064 2.760 824 HG23 THR 109 2HG2 THR 109 1.235 -2.329 3.904 825 H ALA 110 H ALA 110 -0.702 -0.940 2.628 826 HA ALA 110 HA ALA 110 -2.774 -2.140 4.348 827 HB1 ALA 110 3HB ALA 110 -4.157 -2.318 2.325 828 HB2 ALA 110 1HB ALA 110 -3.716 -0.649 2.685 829 HB3 ALA 110 2HB ALA 110 -2.885 -1.524 1.398 830 H HIS 111 H HIS 111 -3.514 -4.303 3.708 831 HA HIS 111 HA HIS 111 -1.362 -5.886 2.465 832 HB2 HIS 111 1HB HIS 111 -3.007 -6.457 4.921 833 HB3 HIS 111 2HB HIS 111 -2.213 -7.750 4.027 834 HD1 HIS 111 1HD HIS 111 0.494 -6.485 3.447 835 HD2 HIS 111 2HD HIS 111 -1.435 -6.194 7.115 836 HE1 HIS 111 1HE HIS 111 2.308 -6.020 5.126 837 HE2 HIS 111 2HE HIS 111 1.128 -5.932 7.349 838 H ALA 112 H ALA 112 -1.986 -7.719 1.261 839 HA ALA 112 HA ALA 112 -4.711 -8.454 0.888 840 HB1 ALA 112 3HB ALA 112 -3.485 -7.079 -1.487 841 HB2 ALA 112 1HB ALA 112 -5.152 -7.613 -1.268 842 HB3 ALA 112 2HB ALA 112 -4.535 -6.244 -0.342 843 H THR 113 H THR 113 -4.595 -10.559 0.517 844 HA THR 113 HA THR 113 -2.175 -11.712 -0.609 845 HB THR 113 HB THR 113 -4.562 -13.343 0.183 846 HG1 THR 113 1HG THR 113 -3.634 -11.582 1.798 847 HG21 THR 113 3HG2 THR 113 -1.737 -13.767 -0.364 848 HG22 THR 113 1HG2 THR 113 -3.062 -14.929 -0.312 849 HG23 THR 113 2HG2 THR 113 -2.237 -14.466 1.176 850 H THR 114 H THR 114 -2.110 -13.026 -2.442 851 HA THR 114 HA THR 114 -4.161 -12.409 -4.420 852 HB THR 114 HB THR 114 -2.559 -13.499 -6.027 853 HG1 THR 114 1HG THR 114 -1.415 -14.778 -4.505 854 HG21 THR 114 3HG2 THR 114 -2.615 -10.978 -5.151 855 HG22 THR 114 1HG2 THR 114 -1.429 -11.542 -6.327 856 HG23 THR 114 2HG2 THR 114 -0.988 -11.409 -4.625 857 H TYR 115 H TYR 115 -5.213 -13.996 -5.666 858 HA TYR 115 HA TYR 115 -6.119 -16.243 -4.256 859 HB2 TYR 115 1HB TYR 115 -6.240 -15.701 -7.230 860 HB3 TYR 115 2HB TYR 115 -7.197 -16.904 -6.373 861 HD1 TYR 115 1HD TYR 115 -6.642 -13.282 -6.822 862 HD2 TYR 115 2HD TYR 115 -9.158 -16.287 -5.167 863 HE1 TYR 115 1HE TYR 115 -8.373 -11.588 -6.394 864 HE2 TYR 115 2HE TYR 115 -10.896 -14.602 -4.735 865 HH TYR 115 HH TYR 115 -11.572 -12.470 -5.289 866 H GLU 116 H GLU 116 -5.817 -18.481 -4.652 867 HA GLU 116 HA GLU 116 -3.098 -19.211 -5.080 868 HB2 GLU 116 1HB GLU 116 -5.018 -20.330 -3.636 869 HB3 GLU 116 2HB GLU 116 -5.270 -21.256 -5.109 870 HG2 GLU 116 1HG GLU 116 -2.837 -21.853 -5.034 871 HG3 GLU 116 2HG GLU 116 -2.779 -21.113 -3.435 872 H ALA 117 H ALA 117 -2.203 -19.231 -7.032 873 HA ALA 117 HA ALA 117 -3.396 -19.196 -9.487 874 HB1 ALA 117 3HB ALA 117 -0.735 -20.195 -8.571 875 HB2 ALA 117 1HB ALA 117 -1.215 -20.392 -10.257 876 HB3 ALA 117 2HB ALA 117 -1.130 -18.779 -9.547 877 H SER 118 H SER 118 -2.171 -22.128 -7.864 878 HA SER 118 HA SER 118 -4.355 -23.697 -8.876 879 HB2 SER 118 1HB SER 118 -3.200 -25.123 -10.348 880 HB3 SER 118 2HB SER 118 -2.612 -23.517 -10.776 881 HG SER 118 HG SER 118 -0.851 -24.023 -9.222 882 H GLY 119 H GLY 119 -4.858 -25.072 -7.310 883 HA2 GLY 119 1HA GLY 119 -3.055 -26.830 -6.068 884 HA3 GLY 119 2HA GLY 119 -3.286 -25.446 -5.010 885 HA PRO 120 HA PRO 120 -6.550 -28.498 -3.910 886 HB2 PRO 120 1HB PRO 120 -6.396 -28.021 -1.241 887 HB3 PRO 120 2HB PRO 120 -5.336 -29.163 -2.076 888 HG2 PRO 120 1HG PRO 120 -4.798 -26.338 -1.244 889 HG3 PRO 120 2HG PRO 120 -3.748 -27.761 -1.116 890 HD2 PRO 120 1HD PRO 120 -3.473 -25.920 -3.082 891 HD3 PRO 120 2HD PRO 120 -3.101 -27.639 -3.325 892 H SER 121 H SER 121 -8.646 -28.141 -3.020 893 HA SER 121 HA SER 121 -9.405 -25.298 -2.964 894 HB2 SER 121 1HB SER 121 -11.598 -25.962 -3.721 895 HB3 SER 121 2HB SER 121 -10.402 -26.722 -4.772 896 HG SER 121 HG SER 121 -10.698 -28.493 -2.996 897 H SER 122 H SER 122 -10.406 -24.455 -1.226 898 HA SER 122 HA SER 122 -11.021 -26.291 0.996 899 HB2 SER 122 1HB SER 122 -10.404 -24.535 2.541 900 HB3 SER 122 2HB SER 122 -9.086 -24.754 1.390 901 HG SER 122 HG SER 122 -10.379 -22.977 0.217 902 H GLY 123 H GLY 123 -12.893 -25.959 2.195 903 HA2 GLY 123 1HA GLY 123 -14.760 -23.934 1.136 904 HA3 GLY 123 2HA GLY 123 -15.272 -25.599 1.369 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -20.407 18.352 -6.019 2 HA2 GLY 1 1HA GLY 1 -22.399 18.513 -4.842 3 HA3 GLY 1 2HA GLY 1 -22.440 16.759 -4.733 4 H SER 2 H SER 2 -22.556 16.191 -2.669 5 HA SER 2 HA SER 2 -21.931 17.712 -0.462 6 HB2 SER 2 1HB SER 2 -21.921 14.705 -0.780 7 HB3 SER 2 2HB SER 2 -21.796 15.520 0.779 8 HG SER 2 HG SER 2 -23.987 14.860 -0.345 9 H SER 3 H SER 3 -20.236 16.882 1.250 10 HA SER 3 HA SER 3 -17.622 16.962 -0.097 11 HB2 SER 3 1HB SER 3 -18.613 18.055 2.514 12 HB3 SER 3 2HB SER 3 -16.897 17.700 2.312 13 HG SER 3 HG SER 3 -18.502 19.526 0.869 14 H GLY 4 H GLY 4 -19.020 15.728 2.951 15 HA2 GLY 4 1HA GLY 4 -18.964 13.352 3.436 16 HA3 GLY 4 2HA GLY 4 -17.456 13.261 2.537 17 H SER 5 H SER 5 -17.545 12.150 5.001 18 HA SER 5 HA SER 5 -16.305 14.097 6.814 19 HB2 SER 5 1HB SER 5 -16.832 12.645 8.608 20 HB3 SER 5 2HB SER 5 -18.251 12.609 7.562 21 HG SER 5 HG SER 5 -17.892 10.517 7.833 22 H SER 6 H SER 6 -14.472 13.229 8.157 23 HA SER 6 HA SER 6 -12.647 11.702 6.424 24 HB2 SER 6 1HB SER 6 -10.830 12.924 7.328 25 HB3 SER 6 2HB SER 6 -12.091 14.125 7.048 26 HG SER 6 HG SER 6 -10.851 13.644 9.296 27 H GLY 7 H GLY 7 -14.455 10.293 8.000 28 HA2 GLY 7 1HA GLY 7 -14.615 8.734 9.696 29 HA3 GLY 7 2HA GLY 7 -12.978 8.345 9.188 30 H PHE 8 H PHE 8 -11.460 8.461 10.696 31 HA PHE 8 HA PHE 8 -11.733 10.408 12.864 32 HB2 PHE 8 1HB PHE 8 -11.408 7.429 13.210 33 HB3 PHE 8 2HB PHE 8 -10.977 8.577 14.474 34 HD1 PHE 8 2HD PHE 8 -12.901 10.359 14.974 35 HD2 PHE 8 1HD PHE 8 -13.491 6.489 13.304 36 HE1 PHE 8 2HE PHE 8 -15.237 10.386 15.746 37 HE2 PHE 8 1HE PHE 8 -15.828 6.510 14.073 38 HZ PHE 8 HZ PHE 8 -16.704 8.459 15.297 39 HA PRO 9 HA PRO 9 -7.426 11.041 12.317 40 HB2 PRO 9 1HB PRO 9 -6.650 11.680 14.839 41 HB3 PRO 9 2HB PRO 9 -7.605 12.767 13.823 42 HG2 PRO 9 1HG PRO 9 -8.511 10.936 16.012 43 HG3 PRO 9 2HG PRO 9 -9.006 12.604 15.672 44 HD2 PRO 9 1HD PRO 9 -10.506 10.465 14.959 45 HD3 PRO 9 2HD PRO 9 -10.468 11.964 14.009 46 H THR 10 H THR 10 -5.366 10.140 12.659 47 HA THR 10 HA THR 10 -5.208 7.792 14.406 48 HB THR 10 HB THR 10 -5.779 6.999 12.118 49 HG1 THR 10 1HG THR 10 -3.110 6.239 12.627 50 HG21 THR 10 3HG2 THR 10 -4.274 8.954 11.141 51 HG22 THR 10 1HG2 THR 10 -4.525 7.449 10.256 52 HG23 THR 10 2HG2 THR 10 -3.042 7.692 11.180 53 H SER 11 H SER 11 -2.926 6.994 14.607 54 HA SER 11 HA SER 11 -1.219 9.187 15.245 55 HB2 SER 11 1HB SER 11 -0.562 6.232 15.176 56 HB3 SER 11 2HB SER 11 0.362 7.488 15.999 57 HG SER 11 HG SER 11 -1.649 6.092 16.958 58 H VAL 12 H VAL 12 0.387 10.087 14.110 59 HA VAL 12 HA VAL 12 1.147 8.817 11.559 60 HB VAL 12 HB VAL 12 1.605 11.081 10.688 61 HG11 VAL 12 1HG1 VAL 12 -1.212 11.169 11.660 62 HG12 VAL 12 2HG1 VAL 12 -0.565 11.481 10.048 63 HG13 VAL 12 3HG1 VAL 12 -0.697 9.825 10.641 64 HG21 VAL 12 3HG2 VAL 12 1.631 11.871 13.291 65 HG22 VAL 12 1HG2 VAL 12 1.488 12.962 11.912 66 HG23 VAL 12 2HG2 VAL 12 0.042 12.433 12.772 67 HA PRO 13 HA PRO 13 5.315 8.751 12.959 68 HB2 PRO 13 1HB PRO 13 6.607 8.847 10.574 69 HB3 PRO 13 2HB PRO 13 5.753 7.409 11.147 70 HG2 PRO 13 1HG PRO 13 4.847 9.505 9.210 71 HG3 PRO 13 2HG PRO 13 4.669 7.743 9.117 72 HD2 PRO 13 1HD PRO 13 2.654 9.371 9.904 73 HD3 PRO 13 2HD PRO 13 2.854 7.725 10.538 74 H ASP 14 H ASP 14 7.275 10.004 13.038 75 HA ASP 14 HA ASP 14 7.085 12.631 13.547 76 HB2 ASP 14 1HB ASP 14 9.429 11.267 12.207 77 HB3 ASP 14 2HB ASP 14 9.500 12.854 12.969 78 H LEU 15 H LEU 15 7.445 14.602 12.455 79 HA LEU 15 HA LEU 15 6.309 14.695 9.832 80 HB2 LEU 15 1HB LEU 15 7.586 16.859 11.498 81 HB3 LEU 15 2HB LEU 15 6.680 17.123 10.009 82 HG LEU 15 HG LEU 15 5.401 15.795 12.374 83 HD11 LEU 15 1HD1 LEU 15 5.708 18.753 11.890 84 HD12 LEU 15 2HD1 LEU 15 6.282 17.831 13.280 85 HD13 LEU 15 3HD1 LEU 15 4.551 18.039 13.015 86 HD21 LEU 15 3HD2 LEU 15 3.740 15.688 10.896 87 HD22 LEU 15 1HD2 LEU 15 4.596 16.723 9.753 88 HD23 LEU 15 2HD2 LEU 15 3.618 17.443 11.031 89 H SER 16 H SER 16 7.790 13.483 8.575 90 HA SER 16 HA SER 16 10.540 14.180 8.356 91 HB2 SER 16 1HB SER 16 8.844 12.669 6.357 92 HB3 SER 16 2HB SER 16 10.602 12.636 6.490 93 HG SER 16 HG SER 16 9.307 10.864 7.511 94 H THR 17 H THR 17 7.661 14.935 6.440 95 HA THR 17 HA THR 17 9.094 17.216 5.292 96 HB THR 17 HB THR 17 8.052 16.738 3.056 97 HG1 THR 17 1HG THR 17 7.681 14.125 4.132 98 HG21 THR 17 3HG2 THR 17 10.449 16.111 3.847 99 HG22 THR 17 1HG2 THR 17 9.840 15.445 2.332 100 HG23 THR 17 2HG2 THR 17 9.845 14.455 3.791 101 HA PRO 18 HA PRO 18 5.371 19.400 6.115 102 HB2 PRO 18 1HB PRO 18 5.500 21.336 4.216 103 HB3 PRO 18 2HB PRO 18 6.544 21.318 5.641 104 HG2 PRO 18 1HG PRO 18 7.137 20.421 2.847 105 HG3 PRO 18 2HG PRO 18 8.152 21.356 3.961 106 HD2 PRO 18 1HD PRO 18 8.496 18.701 3.557 107 HD3 PRO 18 2HD PRO 18 8.830 19.481 5.117 108 H MET 19 H MET 19 5.703 17.391 3.551 109 HA MET 19 HA MET 19 3.500 18.206 1.919 110 HB2 MET 19 1HB MET 19 4.989 15.584 2.112 111 HB3 MET 19 2HB MET 19 3.753 15.930 0.910 112 HG2 MET 19 1HG MET 19 5.332 18.023 0.472 113 HG3 MET 19 2HG MET 19 6.536 16.909 1.115 114 HE1 MET 19 3HE MET 19 3.958 16.139 -2.625 115 HE2 MET 19 1HE MET 19 3.334 15.742 -1.024 116 HE3 MET 19 2HE MET 19 3.702 17.417 -1.436 117 H LEU 20 H LEU 20 1.915 16.114 1.481 118 HA LEU 20 HA LEU 20 0.871 15.187 4.050 119 HB2 LEU 20 1HB LEU 20 -0.207 17.392 3.139 120 HB3 LEU 20 2HB LEU 20 -1.054 16.292 2.054 121 HG LEU 20 HG LEU 20 -2.460 16.806 3.937 122 HD11 LEU 20 1HD1 LEU 20 -1.347 14.019 4.213 123 HD12 LEU 20 2HD1 LEU 20 -2.541 14.528 3.020 124 HD13 LEU 20 3HD1 LEU 20 -2.937 14.572 4.738 125 HD21 LEU 20 3HD2 LEU 20 -1.443 17.351 5.846 126 HD22 LEU 20 1HD2 LEU 20 0.023 16.470 5.415 127 HD23 LEU 20 2HD2 LEU 20 -1.333 15.616 6.150 128 HA PRO 21 HA PRO 21 0.783 11.625 1.294 129 HB2 PRO 21 1HB PRO 21 0.469 9.811 3.290 130 HB3 PRO 21 2HB PRO 21 2.034 10.520 2.873 131 HG2 PRO 21 1HG PRO 21 0.147 11.259 5.076 132 HG3 PRO 21 2HG PRO 21 1.913 11.100 5.121 133 HD2 PRO 21 1HD PRO 21 0.670 13.499 4.938 134 HD3 PRO 21 2HD PRO 21 2.250 13.182 4.191 135 HA PRO 22 HA PRO 22 -3.531 10.857 0.898 136 HB2 PRO 22 1HB PRO 22 -3.539 8.291 0.013 137 HB3 PRO 22 2HB PRO 22 -3.026 9.652 -0.992 138 HG2 PRO 22 1HG PRO 22 -1.359 7.696 0.543 139 HG3 PRO 22 2HG PRO 22 -1.117 8.329 -1.096 140 HD2 PRO 22 1HD PRO 22 0.245 9.272 1.046 141 HD3 PRO 22 2HD PRO 22 -0.193 10.299 -0.334 142 H VAL 23 H VAL 23 -5.095 8.773 1.301 143 HA VAL 23 HA VAL 23 -4.510 7.445 3.806 144 HB VAL 23 HB VAL 23 -6.515 8.276 4.959 145 HG11 VAL 23 1HG1 VAL 23 -5.671 10.562 5.454 146 HG12 VAL 23 2HG1 VAL 23 -4.419 9.320 5.498 147 HG13 VAL 23 3HG1 VAL 23 -4.547 10.395 4.106 148 HG21 VAL 23 3HG2 VAL 23 -7.666 10.283 4.114 149 HG22 VAL 23 1HG2 VAL 23 -6.713 10.187 2.633 150 HG23 VAL 23 2HG2 VAL 23 -7.853 8.902 3.033 151 H GLY 24 H GLY 24 -6.740 6.324 4.535 152 HA2 GLY 24 1HA GLY 24 -8.114 4.551 4.020 153 HA3 GLY 24 2HA GLY 24 -8.719 5.622 2.764 154 H VAL 25 H VAL 25 -5.641 3.883 3.225 155 HA VAL 25 HA VAL 25 -5.544 3.185 0.438 156 HB VAL 25 HB VAL 25 -3.775 2.079 2.613 157 HG11 VAL 25 1HG1 VAL 25 -2.294 2.531 0.328 158 HG12 VAL 25 2HG1 VAL 25 -2.929 0.976 0.868 159 HG13 VAL 25 3HG1 VAL 25 -3.840 1.949 -0.288 160 HG21 VAL 25 3HG2 VAL 25 -2.609 3.997 2.791 161 HG22 VAL 25 1HG2 VAL 25 -2.817 4.400 1.086 162 HG23 VAL 25 2HG2 VAL 25 -4.108 4.742 2.237 163 H GLN 26 H GLN 26 -6.542 1.512 -0.449 164 HA GLN 26 HA GLN 26 -7.082 -0.854 1.222 165 HB2 GLN 26 1HB GLN 26 -9.160 0.297 0.727 166 HB3 GLN 26 2HB GLN 26 -8.775 0.319 -0.988 167 HG2 GLN 26 1HG GLN 26 -8.795 -2.194 -0.913 168 HG3 GLN 26 2HG GLN 26 -9.454 -2.059 0.717 169 HE21 GLN 26 1HE2 GLN 26 -10.970 -3.403 -0.923 170 HE22 GLN 26 2HE2 GLN 26 -12.324 -2.485 -1.477 171 H ALA 27 H ALA 27 -6.346 -2.753 0.500 172 HA ALA 27 HA ALA 27 -5.167 -2.823 -2.196 173 HB1 ALA 27 3HB ALA 27 -3.525 -3.182 -0.483 174 HB2 ALA 27 1HB ALA 27 -4.514 -4.435 0.266 175 HB3 ALA 27 2HB ALA 27 -3.801 -4.707 -1.324 176 H VAL 28 H VAL 28 -6.742 -3.575 -3.514 177 HA VAL 28 HA VAL 28 -8.347 -5.870 -2.685 178 HB VAL 28 HB VAL 28 -8.541 -4.247 -5.225 179 HG11 VAL 28 1HG1 VAL 28 -9.724 -6.707 -4.430 180 HG12 VAL 28 2HG1 VAL 28 -10.985 -5.473 -4.478 181 HG13 VAL 28 3HG1 VAL 28 -9.994 -5.780 -5.905 182 HG21 VAL 28 3HG2 VAL 28 -9.268 -2.644 -3.822 183 HG22 VAL 28 1HG2 VAL 28 -10.744 -3.609 -3.779 184 HG23 VAL 28 2HG2 VAL 28 -9.541 -3.779 -2.501 185 H ALA 29 H ALA 29 -8.266 -7.856 -3.639 186 HA ALA 29 HA ALA 29 -5.946 -8.363 -5.354 187 HB1 ALA 29 3HB ALA 29 -5.966 -10.575 -4.603 188 HB2 ALA 29 1HB ALA 29 -6.389 -9.631 -3.174 189 HB3 ALA 29 2HB ALA 29 -7.647 -10.478 -4.076 190 H LEU 30 H LEU 30 -6.307 -8.398 -7.468 191 HA LEU 30 HA LEU 30 -8.946 -8.873 -8.537 192 HB2 LEU 30 1HB LEU 30 -6.352 -8.488 -10.019 193 HB3 LEU 30 2HB LEU 30 -7.980 -8.348 -10.679 194 HG LEU 30 HG LEU 30 -6.951 -6.519 -8.524 195 HD11 LEU 30 1HD1 LEU 30 -5.714 -5.388 -9.974 196 HD12 LEU 30 2HD1 LEU 30 -7.063 -5.285 -11.106 197 HD13 LEU 30 3HD1 LEU 30 -5.977 -6.674 -11.152 198 HD21 LEU 30 3HD2 LEU 30 -9.410 -6.802 -10.087 199 HD22 LEU 30 1HD2 LEU 30 -8.759 -5.163 -10.047 200 HD23 LEU 30 2HD2 LEU 30 -9.131 -6.001 -8.540 201 H THR 31 H THR 31 -5.751 -10.412 -8.882 202 HA THR 31 HA THR 31 -7.056 -12.999 -9.179 203 HB THR 31 HB THR 31 -6.678 -11.921 -11.494 204 HG1 THR 31 1HG THR 31 -6.084 -13.996 -12.314 205 HG21 THR 31 3HG2 THR 31 -4.611 -11.385 -12.133 206 HG22 THR 31 1HG2 THR 31 -4.015 -12.990 -11.712 207 HG23 THR 31 2HG2 THR 31 -4.066 -11.720 -10.489 208 H HIS 32 H HIS 32 -5.219 -14.732 -9.502 209 HA HIS 32 HA HIS 32 -3.726 -14.879 -7.202 210 HB2 HIS 32 1HB HIS 32 -2.286 -16.540 -8.503 211 HB3 HIS 32 2HB HIS 32 -4.014 -16.873 -8.438 212 HD1 HIS 32 1HD HIS 32 -5.382 -16.187 -10.657 213 HD2 HIS 32 2HD HIS 32 -1.247 -16.371 -11.019 214 HE1 HIS 32 1HE HIS 32 -4.928 -16.306 -13.127 215 HE2 HIS 32 2HE HIS 32 -2.425 -16.503 -13.319 216 H ASP 33 H ASP 33 -2.871 -13.385 -10.258 217 HA ASP 33 HA ASP 33 -0.392 -12.397 -9.007 218 HB2 ASP 33 1HB ASP 33 -0.848 -13.079 -11.920 219 HB3 ASP 33 2HB ASP 33 0.614 -12.342 -11.270 220 H ALA 34 H ALA 34 -2.829 -11.073 -8.748 221 HA ALA 34 HA ALA 34 -2.159 -8.542 -9.982 222 HB1 ALA 34 3HB ALA 34 -3.555 -9.557 -11.702 223 HB2 ALA 34 1HB ALA 34 -4.836 -9.825 -10.518 224 HB3 ALA 34 2HB ALA 34 -4.371 -8.181 -10.959 225 H VAL 35 H VAL 35 -2.787 -6.822 -8.764 226 HA VAL 35 HA VAL 35 -4.785 -7.173 -6.673 227 HB VAL 35 HB VAL 35 -1.882 -6.630 -6.132 228 HG11 VAL 35 1HG1 VAL 35 -2.487 -5.840 -3.893 229 HG12 VAL 35 2HG1 VAL 35 -3.097 -4.761 -5.150 230 HG13 VAL 35 3HG1 VAL 35 -4.192 -5.884 -4.341 231 HG21 VAL 35 3HG2 VAL 35 -2.205 -8.825 -5.641 232 HG22 VAL 35 1HG2 VAL 35 -2.733 -8.140 -4.104 233 HG23 VAL 35 2HG2 VAL 35 -3.925 -8.614 -5.314 234 H ARG 36 H ARG 36 -6.101 -5.499 -6.898 235 HA ARG 36 HA ARG 36 -5.135 -3.016 -8.062 236 HB2 ARG 36 1HB ARG 36 -7.213 -3.811 -8.939 237 HB3 ARG 36 2HB ARG 36 -7.888 -4.007 -7.327 238 HG2 ARG 36 1HG ARG 36 -8.890 -2.070 -8.128 239 HG3 ARG 36 2HG ARG 36 -7.586 -1.476 -7.098 240 HD2 ARG 36 1HD ARG 36 -7.407 -0.167 -9.015 241 HD3 ARG 36 2HD ARG 36 -6.189 -1.419 -9.254 242 HE ARG 36 HE ARG 36 -8.346 -2.456 -10.488 243 HH11 ARG 36 1HH1 ARG 36 -6.783 0.648 -10.682 244 HH12 ARG 36 2HH1 ARG 36 -7.218 0.910 -12.339 245 HH21 ARG 36 1HH2 ARG 36 -8.925 -2.124 -12.669 246 HH22 ARG 36 2HH2 ARG 36 -8.437 -0.668 -13.467 247 H VAL 37 H VAL 37 -4.197 -1.612 -6.729 248 HA VAL 37 HA VAL 37 -5.183 -1.364 -3.976 249 HB VAL 37 HB VAL 37 -2.648 -0.265 -5.201 250 HG11 VAL 37 1HG1 VAL 37 -3.699 0.945 -3.210 251 HG12 VAL 37 2HG1 VAL 37 -3.280 -0.492 -2.274 252 HG13 VAL 37 3HG1 VAL 37 -2.013 0.449 -3.062 253 HG21 VAL 37 3HG2 VAL 37 -2.840 -2.512 -3.219 254 HG22 VAL 37 1HG2 VAL 37 -2.893 -2.800 -4.958 255 HG23 VAL 37 2HG2 VAL 37 -1.474 -2.047 -4.233 256 H SER 38 H SER 38 -6.693 0.137 -3.698 257 HA SER 38 HA SER 38 -6.458 2.660 -5.204 258 HB2 SER 38 1HB SER 38 -8.502 1.959 -5.947 259 HB3 SER 38 2HB SER 38 -8.792 0.953 -4.528 260 HG SER 38 HG SER 38 -10.131 2.889 -4.726 261 H TRP 39 H TRP 39 -7.040 4.607 -4.113 262 HA TRP 39 HA TRP 39 -7.335 4.496 -1.219 263 HB2 TRP 39 1HB TRP 39 -5.453 6.088 -0.876 264 HB3 TRP 39 2HB TRP 39 -4.928 4.511 -1.458 265 HD1 TRP 39 HD TRP 39 -4.943 8.175 -2.378 266 HE1 TRP 39 1HE TRP 39 -3.607 8.513 -4.551 267 HE3 TRP 39 3HE TRP 39 -4.337 3.281 -3.727 268 HZ2 TRP 39 2HZ TRP 39 -2.449 6.917 -6.571 269 HZ3 TRP 39 3HZ TRP 39 -3.103 2.772 -5.794 270 HH2 TRP 39 HH TRP 39 -2.180 4.554 -7.185 271 H ALA 40 H ALA 40 -7.129 7.039 -0.493 272 HA ALA 40 HA ALA 40 -8.837 8.553 -2.356 273 HB1 ALA 40 3HB ALA 40 -10.196 9.334 -0.550 274 HB2 ALA 40 1HB ALA 40 -10.129 7.574 -0.461 275 HB3 ALA 40 2HB ALA 40 -9.157 8.551 0.640 276 H ASP 41 H ASP 41 -8.347 10.667 -2.634 277 HA ASP 41 HA ASP 41 -5.871 11.616 -1.445 278 HB2 ASP 41 1HB ASP 41 -5.952 13.380 -3.098 279 HB3 ASP 41 2HB ASP 41 -6.297 11.844 -3.888 280 H ASN 42 H ASN 42 -6.045 12.497 0.515 281 HA ASN 42 HA ASN 42 -8.418 14.012 1.247 282 HB2 ASN 42 1HB ASN 42 -7.075 12.298 2.723 283 HB3 ASN 42 2HB ASN 42 -6.051 13.693 3.053 284 HD21 ASN 42 1HD2 ASN 42 -9.015 12.131 3.692 285 HD22 ASN 42 2HD2 ASN 42 -9.650 13.290 4.806 286 H SER 43 H SER 43 -4.986 14.514 0.658 287 HA SER 43 HA SER 43 -4.673 17.096 1.605 288 HB2 SER 43 1HB SER 43 -2.883 17.307 -0.153 289 HB3 SER 43 2HB SER 43 -2.756 15.859 0.845 290 HG SER 43 HG SER 43 -4.241 15.663 -1.502 291 H VAL 44 H VAL 44 -6.421 15.968 -1.149 292 HA VAL 44 HA VAL 44 -6.771 18.728 -2.111 293 HB VAL 44 HB VAL 44 -7.341 16.130 -3.546 294 HG11 VAL 44 1HG1 VAL 44 -8.638 17.330 -4.892 295 HG12 VAL 44 2HG1 VAL 44 -8.249 18.813 -4.017 296 HG13 VAL 44 3HG1 VAL 44 -7.221 18.276 -5.347 297 HG21 VAL 44 3HG2 VAL 44 -4.900 17.296 -3.100 298 HG22 VAL 44 1HG2 VAL 44 -5.288 16.207 -4.432 299 HG23 VAL 44 2HG2 VAL 44 -5.357 17.952 -4.672 300 HA PRO 45 HA PRO 45 -10.775 18.185 -0.083 301 HB2 PRO 45 1HB PRO 45 -11.386 20.830 -0.113 302 HB3 PRO 45 2HB PRO 45 -10.324 20.103 1.098 303 HG2 PRO 45 1HG PRO 45 -9.611 21.619 -1.382 304 HG3 PRO 45 2HG PRO 45 -8.905 21.734 0.241 305 HD2 PRO 45 1HD PRO 45 -7.727 20.348 -1.765 306 HD3 PRO 45 2HD PRO 45 -7.590 19.866 -0.062 307 H LYS 46 H LYS 46 -12.897 19.700 -0.713 308 HA LYS 46 HA LYS 46 -13.806 18.646 -3.139 309 HB2 LYS 46 1HB LYS 46 -15.732 20.170 -2.864 310 HB3 LYS 46 2HB LYS 46 -15.346 19.301 -1.384 311 HG2 LYS 46 1HG LYS 46 -14.612 21.184 -0.304 312 HG3 LYS 46 2HG LYS 46 -14.186 22.011 -1.804 313 HD2 LYS 46 1HD LYS 46 -17.050 21.368 -1.323 314 HD3 LYS 46 2HD LYS 46 -16.327 22.686 -0.397 315 HE2 LYS 46 1HE LYS 46 -17.126 23.791 -2.259 316 HE3 LYS 46 2HE LYS 46 -15.452 23.478 -2.713 317 HZ1 LYS 46 3HZ LYS 46 -17.590 21.583 -3.447 318 HZ2 LYS 46 1HZ LYS 46 -16.073 21.803 -4.163 319 HZ3 LYS 46 2HZ LYS 46 -17.291 22.953 -4.394 320 H ASN 47 H ASN 47 -11.961 21.468 -2.467 321 HA ASN 47 HA ASN 47 -11.865 22.087 -5.309 322 HB2 ASN 47 1HB ASN 47 -13.690 23.490 -4.133 323 HB3 ASN 47 2HB ASN 47 -12.348 24.345 -3.378 324 HD21 ASN 47 1HD2 ASN 47 -13.604 23.348 -6.527 325 HD22 ASN 47 2HD2 ASN 47 -13.032 24.731 -7.390 326 H GLN 48 H GLN 48 -9.820 22.384 -5.887 327 HA GLN 48 HA GLN 48 -7.962 23.708 -4.075 328 HB2 GLN 48 1HB GLN 48 -7.651 21.395 -3.475 329 HB3 GLN 48 2HB GLN 48 -7.535 20.924 -5.166 330 HG2 GLN 48 1HG GLN 48 -5.342 20.915 -4.282 331 HG3 GLN 48 2HG GLN 48 -5.475 22.328 -5.327 332 HE21 GLN 48 1HE2 GLN 48 -4.141 23.770 -4.463 333 HE22 GLN 48 2HE2 GLN 48 -4.160 24.294 -2.818 334 H LYS 49 H LYS 49 -6.623 25.034 -5.132 335 HA LYS 49 HA LYS 49 -6.347 24.684 -8.045 336 HB2 LYS 49 1HB LYS 49 -6.591 27.246 -6.462 337 HB3 LYS 49 2HB LYS 49 -6.159 27.179 -8.166 338 HG2 LYS 49 1HG LYS 49 -8.707 25.995 -7.108 339 HG3 LYS 49 2HG LYS 49 -8.578 27.681 -7.612 340 HD2 LYS 49 1HD LYS 49 -7.625 25.557 -9.471 341 HD3 LYS 49 2HD LYS 49 -9.363 25.807 -9.292 342 HE2 LYS 49 1HE LYS 49 -9.164 28.099 -9.959 343 HE3 LYS 49 2HE LYS 49 -7.404 28.005 -9.933 344 HZ1 LYS 49 3HZ LYS 49 -9.088 26.366 -11.740 345 HZ2 LYS 49 1HZ LYS 49 -7.411 26.583 -11.805 346 HZ3 LYS 49 2HZ LYS 49 -8.445 27.867 -12.182 347 H THR 50 H THR 50 -4.445 23.393 -7.255 348 HA THR 50 HA THR 50 -2.211 24.900 -6.204 349 HB THR 50 HB THR 50 -2.577 22.535 -5.552 350 HG1 THR 50 1HG THR 50 -0.419 23.613 -5.692 351 HG21 THR 50 3HG2 THR 50 -1.601 20.920 -7.414 352 HG22 THR 50 1HG2 THR 50 -2.265 22.151 -8.487 353 HG23 THR 50 2HG2 THR 50 -3.317 21.316 -7.344 354 H SER 51 H SER 51 -0.111 24.933 -7.289 355 HA SER 51 HA SER 51 -0.442 25.350 -10.178 356 HB2 SER 51 1HB SER 51 0.323 27.299 -8.864 357 HB3 SER 51 2HB SER 51 1.727 26.376 -8.330 358 HG SER 51 HG SER 51 2.240 27.687 -10.115 359 H GLU 52 H GLU 52 1.943 24.094 -7.847 360 HA GLU 52 HA GLU 52 3.510 22.812 -9.857 361 HB2 GLU 52 1HB GLU 52 3.459 22.675 -6.852 362 HB3 GLU 52 2HB GLU 52 4.506 21.626 -7.798 363 HG2 GLU 52 1HG GLU 52 4.577 24.563 -8.282 364 HG3 GLU 52 2HG GLU 52 5.378 23.901 -6.859 365 H VAL 53 H VAL 53 3.036 21.002 -10.894 366 HA VAL 53 HA VAL 53 0.808 19.441 -10.568 367 HB VAL 53 HB VAL 53 2.567 19.417 -12.460 368 HG11 VAL 53 1HG1 VAL 53 4.255 17.748 -12.380 369 HG12 VAL 53 2HG1 VAL 53 4.404 18.693 -10.897 370 HG13 VAL 53 3HG1 VAL 53 3.639 17.104 -10.858 371 HG21 VAL 53 3HG2 VAL 53 1.710 16.639 -11.912 372 HG22 VAL 53 1HG2 VAL 53 0.448 17.870 -11.937 373 HG23 VAL 53 2HG2 VAL 53 1.479 17.636 -13.348 374 H ARG 54 H ARG 54 0.901 16.983 -10.082 375 HA ARG 54 HA ARG 54 2.535 16.393 -7.731 376 HB2 ARG 54 1HB ARG 54 -0.456 15.978 -7.733 377 HB3 ARG 54 2HB ARG 54 0.656 15.698 -6.400 378 HG2 ARG 54 1HG ARG 54 0.799 17.904 -5.870 379 HG3 ARG 54 2HG ARG 54 0.534 18.434 -7.532 380 HD2 ARG 54 1HD ARG 54 -1.743 18.338 -7.345 381 HD3 ARG 54 2HD ARG 54 -1.697 17.061 -6.131 382 HE ARG 54 HE ARG 54 -1.752 19.871 -5.658 383 HH11 ARG 54 1HH1 ARG 54 -0.569 16.845 -4.408 384 HH12 ARG 54 2HH1 ARG 54 -0.508 17.396 -2.767 385 HH21 ARG 54 1HH2 ARG 54 -1.676 20.609 -3.501 386 HH22 ARG 54 2HH2 ARG 54 -1.139 19.538 -2.252 387 H LEU 55 H LEU 55 3.177 14.312 -7.620 388 HA LEU 55 HA LEU 55 1.966 12.419 -9.527 389 HB2 LEU 55 1HB LEU 55 4.131 12.960 -10.332 390 HB3 LEU 55 2HB LEU 55 4.841 12.795 -8.727 391 HG LEU 55 HG LEU 55 3.969 10.291 -9.056 392 HD11 LEU 55 1HD1 LEU 55 3.165 10.022 -11.127 393 HD12 LEU 55 2HD1 LEU 55 4.859 10.008 -11.614 394 HD13 LEU 55 3HD1 LEU 55 3.924 11.499 -11.721 395 HD21 LEU 55 3HD2 LEU 55 6.527 11.345 -10.255 396 HD22 LEU 55 1HD2 LEU 55 6.225 9.704 -9.685 397 HD23 LEU 55 2HD2 LEU 55 6.263 11.042 -8.537 398 H TYR 56 H TYR 56 1.608 10.329 -8.851 399 HA TYR 56 HA TYR 56 1.989 9.843 -5.970 400 HB2 TYR 56 1HB TYR 56 -0.243 9.101 -7.840 401 HB3 TYR 56 2HB TYR 56 0.028 8.190 -6.358 402 HD1 TYR 56 1HD TYR 56 0.291 11.853 -7.015 403 HD2 TYR 56 2HD TYR 56 -1.726 8.736 -4.936 404 HE1 TYR 56 1HE TYR 56 -0.992 13.531 -5.757 405 HE2 TYR 56 2HE TYR 56 -3.016 10.406 -3.673 406 HH TYR 56 HH TYR 56 -3.050 12.642 -3.079 407 H THR 57 H THR 57 3.151 8.130 -5.370 408 HA THR 57 HA THR 57 3.908 6.182 -7.447 409 HB THR 57 HB THR 57 5.466 6.922 -4.963 410 HG1 THR 57 1HG THR 57 5.376 8.561 -6.654 411 HG21 THR 57 3HG2 THR 57 7.284 5.651 -6.050 412 HG22 THR 57 1HG2 THR 57 6.166 5.178 -7.329 413 HG23 THR 57 2HG2 THR 57 5.891 4.638 -5.672 414 H VAL 58 H VAL 58 4.067 3.978 -6.878 415 HA VAL 58 HA VAL 58 2.838 3.216 -4.319 416 HB VAL 58 HB VAL 58 2.125 1.927 -6.955 417 HG11 VAL 58 1HG1 VAL 58 2.059 0.683 -4.653 418 HG12 VAL 58 2HG1 VAL 58 0.581 1.620 -4.420 419 HG13 VAL 58 3HG1 VAL 58 0.723 0.521 -5.794 420 HG21 VAL 58 3HG2 VAL 58 0.642 3.967 -5.308 421 HG22 VAL 58 1HG2 VAL 58 1.166 4.105 -6.986 422 HG23 VAL 58 2HG2 VAL 58 -0.122 2.980 -6.554 423 H ARG 59 H ARG 59 3.924 1.673 -3.278 424 HA ARG 59 HA ARG 59 5.832 0.035 -4.816 425 HB2 ARG 59 1HB ARG 59 7.415 0.168 -3.071 426 HB3 ARG 59 2HB ARG 59 6.827 1.811 -3.285 427 HG2 ARG 59 1HG ARG 59 5.198 1.280 -1.387 428 HG3 ARG 59 2HG ARG 59 6.226 -0.120 -1.076 429 HD2 ARG 59 1HD ARG 59 8.122 1.271 -0.669 430 HD3 ARG 59 2HD ARG 59 7.260 2.704 -1.229 431 HE ARG 59 HE ARG 59 6.234 2.860 0.823 432 HH11 ARG 59 1HH1 ARG 59 7.836 -0.218 0.542 433 HH12 ARG 59 2HH1 ARG 59 7.626 -0.627 2.212 434 HH21 ARG 59 1HH2 ARG 59 5.951 2.333 3.024 435 HH22 ARG 59 2HH2 ARG 59 6.553 0.824 3.623 436 H TRP 60 H TRP 60 6.180 -2.109 -4.092 437 HA TRP 60 HA TRP 60 4.531 -3.180 -1.973 438 HB2 TRP 60 1HB TRP 60 3.376 -4.812 -3.409 439 HB3 TRP 60 2HB TRP 60 2.945 -3.158 -3.834 440 HD1 TRP 60 HD TRP 60 4.540 -6.279 -5.244 441 HE1 TRP 60 1HE TRP 60 5.067 -5.914 -7.737 442 HE3 TRP 60 3HE TRP 60 3.645 -1.254 -5.536 443 HZ2 TRP 60 2HZ TRP 60 5.100 -3.779 -9.582 444 HZ3 TRP 60 3HZ TRP 60 3.948 -0.126 -7.702 445 HH2 TRP 60 HH TRP 60 4.661 -1.364 -9.682 446 H ARG 61 H ARG 61 5.644 -4.718 -0.966 447 HA ARG 61 HA ARG 61 7.549 -6.340 -2.503 448 HB2 ARG 61 1HB ARG 61 8.638 -4.401 -1.223 449 HB3 ARG 61 2HB ARG 61 8.216 -5.285 0.237 450 HG2 ARG 61 1HG ARG 61 9.739 -6.656 -1.930 451 HG3 ARG 61 2HG ARG 61 10.570 -5.561 -0.823 452 HD2 ARG 61 1HD ARG 61 8.774 -7.689 0.260 453 HD3 ARG 61 2HD ARG 61 10.401 -8.108 -0.275 454 HE ARG 61 HE ARG 61 11.286 -6.840 1.477 455 HH11 ARG 61 1HH1 ARG 61 7.809 -6.699 1.404 456 HH12 ARG 61 2HH1 ARG 61 7.671 -6.058 3.008 457 HH21 ARG 61 1HH2 ARG 61 11.118 -5.996 3.589 458 HH22 ARG 61 2HH2 ARG 61 9.554 -5.657 4.249 459 H THR 62 H THR 62 7.759 -8.447 -1.845 460 HA THR 62 HA THR 62 5.715 -9.846 -0.794 461 HB THR 62 HB THR 62 7.489 -11.517 0.070 462 HG1 THR 62 1HG THR 62 9.093 -9.651 0.067 463 HG21 THR 62 3HG2 THR 62 6.511 -12.020 -1.989 464 HG22 THR 62 1HG2 THR 62 8.232 -11.952 -2.365 465 HG23 THR 62 2HG2 THR 62 7.187 -10.590 -2.768 466 H SER 63 H SER 63 4.838 -10.318 1.148 467 HA SER 63 HA SER 63 5.775 -8.788 3.436 468 HB2 SER 63 1HB SER 63 3.370 -8.789 2.868 469 HB3 SER 63 2HB SER 63 3.316 -10.531 3.139 470 HG SER 63 HG SER 63 2.989 -10.067 5.151 471 H PHE 64 H PHE 64 6.777 -9.608 5.171 472 HA PHE 64 HA PHE 64 7.948 -11.076 6.459 473 HB2 PHE 64 1HB PHE 64 5.708 -13.004 5.833 474 HB3 PHE 64 2HB PHE 64 6.750 -13.003 7.252 475 HD1 PHE 64 2HD PHE 64 6.692 -10.714 8.610 476 HD2 PHE 64 1HD PHE 64 3.600 -12.142 6.057 477 HE1 PHE 64 2HE PHE 64 5.062 -9.311 9.805 478 HE2 PHE 64 1HE PHE 64 1.965 -10.740 7.247 479 HZ PHE 64 HZ PHE 64 2.695 -9.323 9.125 480 H SER 65 H SER 65 8.952 -10.949 3.939 481 HA SER 65 HA SER 65 9.621 -13.753 3.322 482 HB2 SER 65 1HB SER 65 9.062 -11.419 1.558 483 HB3 SER 65 2HB SER 65 10.306 -12.553 1.034 484 HG SER 65 HG SER 65 7.559 -12.976 1.429 485 H ALA 66 H ALA 66 11.798 -14.164 2.603 486 HA ALA 66 HA ALA 66 13.756 -12.968 4.215 487 HB1 ALA 66 3HB ALA 66 13.649 -15.055 2.201 488 HB2 ALA 66 1HB ALA 66 15.162 -14.150 2.153 489 HB3 ALA 66 2HB ALA 66 14.648 -14.930 3.649 490 H SER 67 H SER 67 15.921 -12.218 3.075 491 HA SER 67 HA SER 67 15.767 -9.649 2.336 492 HB2 SER 67 1HB SER 67 17.879 -10.985 2.644 493 HB3 SER 67 2HB SER 67 17.693 -11.549 0.984 494 HG SER 67 HG SER 67 18.434 -9.707 0.306 495 H ALA 68 H ALA 68 14.098 -9.007 1.042 496 HA ALA 68 HA ALA 68 14.164 -9.945 -1.752 497 HB1 ALA 68 3HB ALA 68 11.905 -9.420 0.090 498 HB2 ALA 68 1HB ALA 68 11.691 -8.969 -1.602 499 HB3 ALA 68 2HB ALA 68 12.080 -10.636 -1.176 500 H LYS 69 H LYS 69 12.893 -8.202 -3.158 501 HA LYS 69 HA LYS 69 14.139 -5.600 -2.555 502 HB2 LYS 69 1HB LYS 69 14.180 -5.231 -5.008 503 HB3 LYS 69 2HB LYS 69 15.153 -6.607 -4.504 504 HG2 LYS 69 1HG LYS 69 14.103 -7.545 -6.277 505 HG3 LYS 69 2HG LYS 69 12.906 -7.910 -5.032 506 HD2 LYS 69 1HD LYS 69 11.539 -6.997 -6.618 507 HD3 LYS 69 2HD LYS 69 11.980 -5.533 -5.735 508 HE2 LYS 69 1HE LYS 69 13.901 -5.323 -7.410 509 HE3 LYS 69 2HE LYS 69 13.043 -6.533 -8.362 510 HZ1 LYS 69 3HZ LYS 69 12.494 -4.277 -9.053 511 HZ2 LYS 69 1HZ LYS 69 11.924 -3.920 -7.501 512 HZ3 LYS 69 2HZ LYS 69 11.130 -5.074 -8.448 513 H TYR 70 H TYR 70 12.940 -3.748 -2.757 514 HA TYR 70 HA TYR 70 10.056 -4.114 -2.812 515 HB2 TYR 70 1HB TYR 70 11.918 -1.997 -1.868 516 HB3 TYR 70 2HB TYR 70 10.312 -1.485 -2.373 517 HD1 TYR 70 2HD TYR 70 12.075 -3.837 -0.095 518 HD2 TYR 70 1HD TYR 70 8.490 -1.700 -0.921 519 HE1 TYR 70 2HE TYR 70 11.182 -4.500 2.098 520 HE2 TYR 70 1HE TYR 70 7.587 -2.356 1.271 521 HH TYR 70 HH TYR 70 9.198 -3.269 3.724 522 H LYS 71 H LYS 71 8.838 -3.734 -4.534 523 HA LYS 71 HA LYS 71 10.031 -2.332 -6.819 524 HB2 LYS 71 1HB LYS 71 8.861 -4.740 -6.805 525 HB3 LYS 71 2HB LYS 71 7.431 -3.752 -7.073 526 HG2 LYS 71 1HG LYS 71 8.395 -2.811 -9.067 527 HG3 LYS 71 2HG LYS 71 9.918 -3.651 -8.768 528 HD2 LYS 71 1HD LYS 71 8.591 -5.807 -8.881 529 HD3 LYS 71 2HD LYS 71 7.250 -4.840 -9.499 530 HE2 LYS 71 1HE LYS 71 8.201 -5.444 -11.477 531 HE3 LYS 71 2HE LYS 71 9.130 -3.980 -11.158 532 HZ1 LYS 71 3HZ LYS 71 10.927 -5.247 -11.336 533 HZ2 LYS 71 1HZ LYS 71 10.024 -6.678 -11.340 534 HZ3 LYS 71 2HZ LYS 71 10.495 -5.980 -9.873 535 H SER 72 H SER 72 8.991 -0.634 -7.843 536 HA SER 72 HA SER 72 6.413 0.298 -7.008 537 HB2 SER 72 1HB SER 72 7.275 1.373 -5.176 538 HB3 SER 72 2HB SER 72 8.887 1.504 -5.878 539 HG SER 72 HG SER 72 8.100 3.181 -7.201 540 H GLU 73 H GLU 73 5.657 2.083 -8.264 541 HA GLU 73 HA GLU 73 7.350 3.084 -10.396 542 HB2 GLU 73 1HB GLU 73 6.223 2.181 -12.202 543 HB3 GLU 73 2HB GLU 73 6.215 0.834 -11.073 544 HG2 GLU 73 1HG GLU 73 3.952 1.231 -10.482 545 HG3 GLU 73 2HG GLU 73 3.935 2.771 -11.340 546 H ASP 74 H ASP 74 6.005 4.596 -11.852 547 HA ASP 74 HA ASP 74 4.533 6.366 -10.081 548 HB2 ASP 74 1HB ASP 74 4.768 8.027 -11.796 549 HB3 ASP 74 2HB ASP 74 6.315 7.197 -11.645 550 H THR 75 H THR 75 2.425 7.058 -10.396 551 HA THR 75 HA THR 75 0.846 5.997 -12.576 552 HB THR 75 HB THR 75 0.810 4.129 -10.965 553 HG1 THR 75 1HG THR 75 -1.092 4.022 -11.910 554 HG21 THR 75 3HG2 THR 75 0.021 4.314 -8.775 555 HG22 THR 75 1HG2 THR 75 -0.726 5.883 -9.075 556 HG23 THR 75 2HG2 THR 75 1.029 5.749 -8.964 557 H THR 76 H THR 76 -0.105 7.821 -13.215 558 HA THR 76 HA THR 76 -0.815 9.909 -11.363 559 HB THR 76 HB THR 76 -1.748 11.044 -13.396 560 HG1 THR 76 1HG THR 76 -0.942 9.893 -15.408 561 HG21 THR 76 3HG2 THR 76 0.694 11.123 -12.590 562 HG22 THR 76 1HG2 THR 76 0.348 11.670 -14.230 563 HG23 THR 76 2HG2 THR 76 1.035 10.068 -13.961 564 H SER 77 H SER 77 -2.159 7.543 -10.734 565 HA SER 77 HA SER 77 -4.926 8.425 -11.080 566 HB2 SER 77 1HB SER 77 -4.010 5.581 -11.573 567 HB3 SER 77 2HB SER 77 -5.686 6.130 -11.555 568 HG SER 77 HG SER 77 -5.402 6.583 -13.577 569 H LEU 78 H LEU 78 -6.364 7.663 -9.450 570 HA LEU 78 HA LEU 78 -5.052 7.275 -6.907 571 HB2 LEU 78 1HB LEU 78 -7.949 7.572 -7.676 572 HB3 LEU 78 2HB LEU 78 -7.388 7.382 -6.016 573 HG LEU 78 HG LEU 78 -6.533 9.659 -7.793 574 HD11 LEU 78 1HD1 LEU 78 -8.208 10.810 -6.045 575 HD12 LEU 78 2HD1 LEU 78 -9.010 9.252 -6.241 576 HD13 LEU 78 3HD1 LEU 78 -8.702 10.268 -7.650 577 HD21 LEU 78 3HD2 LEU 78 -5.623 10.614 -5.886 578 HD22 LEU 78 1HD2 LEU 78 -5.230 8.906 -5.689 579 HD23 LEU 78 2HD2 LEU 78 -6.582 9.608 -4.800 580 H SER 79 H SER 79 -5.247 5.138 -9.087 581 HA SER 79 HA SER 79 -5.776 2.951 -7.263 582 HB2 SER 79 1HB SER 79 -7.352 1.809 -8.755 583 HB3 SER 79 2HB SER 79 -7.997 3.371 -8.250 584 HG SER 79 HG SER 79 -7.382 4.216 -10.255 585 H TYR 80 H TYR 80 -4.127 1.608 -7.482 586 HA TYR 80 HA TYR 80 -2.783 1.436 -10.096 587 HB2 TYR 80 1HB TYR 80 -1.421 2.292 -8.183 588 HB3 TYR 80 2HB TYR 80 -1.646 0.741 -7.381 589 HD1 TYR 80 1HD TYR 80 0.014 2.485 -10.148 590 HD2 TYR 80 2HD TYR 80 -0.473 -1.235 -8.140 591 HE1 TYR 80 1HE TYR 80 1.984 1.599 -11.324 592 HE2 TYR 80 2HE TYR 80 1.496 -2.131 -9.310 593 HH TYR 80 HH TYR 80 2.681 -1.250 -11.856 594 H THR 81 H THR 81 -2.087 -0.605 -10.855 595 HA THR 81 HA THR 81 -3.453 -2.903 -9.612 596 HB THR 81 HB THR 81 -3.007 -2.632 -12.582 597 HG1 THR 81 1HG THR 81 -5.494 -2.184 -11.301 598 HG21 THR 81 3HG2 THR 81 -3.864 -4.687 -12.693 599 HG22 THR 81 1HG2 THR 81 -5.269 -4.199 -11.746 600 HG23 THR 81 2HG2 THR 81 -3.808 -4.758 -10.932 601 H ALA 82 H ALA 82 -1.785 -3.916 -8.628 602 HA ALA 82 HA ALA 82 0.822 -4.118 -9.803 603 HB1 ALA 82 3HB ALA 82 1.366 -4.483 -7.685 604 HB2 ALA 82 1HB ALA 82 -0.341 -4.573 -7.248 605 HB3 ALA 82 2HB ALA 82 0.523 -6.031 -7.738 606 H THR 83 H THR 83 0.891 -5.254 -11.670 607 HA THR 83 HA THR 83 -0.348 -7.918 -11.730 608 HB THR 83 HB THR 83 -0.107 -7.839 -14.156 609 HG1 THR 83 1HG THR 83 0.543 -5.553 -14.900 610 HG21 THR 83 3HG2 THR 83 -1.792 -6.263 -14.614 611 HG22 THR 83 1HG2 THR 83 -1.257 -5.188 -13.324 612 HG23 THR 83 2HG2 THR 83 -2.051 -6.713 -12.929 613 H GLY 84 H GLY 84 0.833 -9.746 -12.322 614 HA2 GLY 84 1HA GLY 84 2.733 -11.000 -12.824 615 HA3 GLY 84 2HA GLY 84 3.673 -9.516 -12.860 616 H LEU 85 H LEU 85 1.627 -10.843 -10.282 617 HA LEU 85 HA LEU 85 3.961 -10.719 -8.500 618 HB2 LEU 85 1HB LEU 85 1.190 -11.065 -7.473 619 HB3 LEU 85 2HB LEU 85 2.565 -10.237 -6.745 620 HG LEU 85 HG LEU 85 1.180 -9.108 -9.154 621 HD11 LEU 85 1HD1 LEU 85 -0.637 -8.555 -8.014 622 HD12 LEU 85 2HD1 LEU 85 0.338 -7.846 -6.727 623 HD13 LEU 85 3HD1 LEU 85 -0.070 -9.561 -6.680 624 HD21 LEU 85 3HD2 LEU 85 2.285 -7.422 -7.009 625 HD22 LEU 85 1HD2 LEU 85 2.401 -7.258 -8.762 626 HD23 LEU 85 2HD2 LEU 85 3.462 -8.380 -7.909 627 H LYS 86 H LYS 86 3.442 -12.332 -6.504 628 HA LYS 86 HA LYS 86 3.442 -14.980 -7.737 629 HB2 LYS 86 1HB LYS 86 5.309 -14.353 -6.246 630 HB3 LYS 86 2HB LYS 86 4.169 -14.142 -4.923 631 HG2 LYS 86 1HG LYS 86 3.538 -16.567 -5.249 632 HG3 LYS 86 2HG LYS 86 4.940 -16.690 -6.315 633 HD2 LYS 86 1HD LYS 86 5.051 -15.746 -3.452 634 HD3 LYS 86 2HD LYS 86 5.391 -17.398 -3.972 635 HE2 LYS 86 1HE LYS 86 7.041 -16.129 -5.619 636 HE3 LYS 86 2HE LYS 86 6.979 -14.915 -4.342 637 HZ1 LYS 86 3HZ LYS 86 8.663 -16.176 -3.550 638 HZ2 LYS 86 1HZ LYS 86 8.129 -17.594 -4.304 639 HZ3 LYS 86 2HZ LYS 86 7.390 -17.065 -2.878 640 HA PRO 87 HA PRO 87 -0.644 -15.890 -6.342 641 HB2 PRO 87 1HB PRO 87 -0.523 -18.595 -6.539 642 HB3 PRO 87 2HB PRO 87 -0.654 -17.534 -7.947 643 HG2 PRO 87 1HG PRO 87 1.770 -18.858 -6.792 644 HG3 PRO 87 2HG PRO 87 1.289 -18.691 -8.491 645 HD2 PRO 87 1HD PRO 87 3.145 -17.092 -7.338 646 HD3 PRO 87 2HD PRO 87 2.065 -16.526 -8.628 647 H ASN 88 H ASN 88 -1.772 -16.984 -4.621 648 HA ASN 88 HA ASN 88 -2.018 -17.304 -2.365 649 HB2 ASN 88 1HB ASN 88 -0.566 -19.293 -1.561 650 HB3 ASN 88 2HB ASN 88 -1.727 -19.574 -2.856 651 HD21 ASN 88 1HD2 ASN 88 1.402 -20.016 -1.882 652 HD22 ASN 88 2HD2 ASN 88 2.123 -20.362 -3.414 653 H THR 89 H THR 89 -0.236 -15.164 -2.998 654 HA THR 89 HA THR 89 1.374 -15.175 -0.545 655 HB THR 89 HB THR 89 2.466 -13.924 -3.052 656 HG1 THR 89 1HG THR 89 2.825 -16.597 -2.130 657 HG21 THR 89 3HG2 THR 89 4.512 -13.875 -1.895 658 HG22 THR 89 1HG2 THR 89 3.958 -15.038 -0.691 659 HG23 THR 89 2HG2 THR 89 3.312 -13.398 -0.695 660 H MET 90 H MET 90 1.386 -13.276 0.562 661 HA MET 90 HA MET 90 -0.142 -11.055 -0.627 662 HB2 MET 90 1HB MET 90 -1.344 -11.969 1.238 663 HB3 MET 90 2HB MET 90 0.097 -11.951 2.246 664 HG2 MET 90 1HG MET 90 0.105 -9.500 2.168 665 HG3 MET 90 2HG MET 90 -1.364 -9.540 1.196 666 HE1 MET 90 3HE MET 90 -1.052 -11.257 5.413 667 HE2 MET 90 1HE MET 90 0.188 -11.223 4.159 668 HE3 MET 90 2HE MET 90 -0.122 -9.785 5.131 669 H TYR 91 H TYR 91 0.559 -8.926 -0.260 670 HA TYR 91 HA TYR 91 3.242 -8.615 0.891 671 HB2 TYR 91 1HB TYR 91 2.693 -6.977 -1.503 672 HB3 TYR 91 2HB TYR 91 4.182 -7.764 -0.991 673 HD1 TYR 91 1HD TYR 91 3.844 -10.505 -1.002 674 HD2 TYR 91 2HD TYR 91 1.905 -7.693 -3.539 675 HE1 TYR 91 1HE TYR 91 3.492 -12.270 -2.678 676 HE2 TYR 91 2HE TYR 91 1.546 -9.450 -5.222 677 HH TYR 91 HH TYR 91 2.753 -12.751 -4.718 678 H GLU 92 H GLU 92 3.745 -6.073 0.769 679 HA GLU 92 HA GLU 92 1.403 -4.763 1.983 680 HB2 GLU 92 1HB GLU 92 2.734 -3.841 3.577 681 HB3 GLU 92 2HB GLU 92 3.740 -5.235 3.209 682 HG2 GLU 92 1HG GLU 92 5.020 -3.827 1.621 683 HG3 GLU 92 2HG GLU 92 4.070 -2.439 2.149 684 H PHE 93 H PHE 93 0.569 -3.064 0.973 685 HA PHE 93 HA PHE 93 2.185 -1.744 -1.105 686 HB2 PHE 93 1HB PHE 93 -0.818 -2.042 -0.891 687 HB3 PHE 93 2HB PHE 93 0.009 -1.110 -2.136 688 HD1 PHE 93 2HD PHE 93 -0.368 -4.524 -0.749 689 HD2 PHE 93 1HD PHE 93 0.807 -2.140 -4.074 690 HE1 PHE 93 2HE PHE 93 -0.173 -6.551 -2.129 691 HE2 PHE 93 1HE PHE 93 1.003 -4.164 -5.460 692 HZ PHE 93 HZ PHE 93 0.514 -6.373 -4.488 693 H SER 94 H SER 94 1.948 0.540 -1.378 694 HA SER 94 HA SER 94 0.607 2.055 0.694 695 HB2 SER 94 1HB SER 94 2.640 3.248 1.408 696 HB3 SER 94 2HB SER 94 2.752 1.524 1.766 697 HG SER 94 HG SER 94 4.387 3.021 0.285 698 H VAL 95 H VAL 95 1.020 4.471 0.344 699 HA VAL 95 HA VAL 95 1.552 5.102 -2.469 700 HB VAL 95 HB VAL 95 -0.899 6.110 -1.021 701 HG11 VAL 95 1HG1 VAL 95 -0.076 7.674 -2.663 702 HG12 VAL 95 2HG1 VAL 95 0.039 6.395 -3.874 703 HG13 VAL 95 3HG1 VAL 95 -1.540 6.905 -3.275 704 HG21 VAL 95 3HG2 VAL 95 -0.866 4.146 -3.298 705 HG22 VAL 95 1HG2 VAL 95 -0.903 3.642 -1.608 706 HG23 VAL 95 2HG2 VAL 95 -2.222 4.607 -2.270 707 H MET 96 H MET 96 2.020 7.335 -2.867 708 HA MET 96 HA MET 96 2.316 9.122 -0.612 709 HB2 MET 96 1HB MET 96 4.734 9.485 -0.997 710 HB3 MET 96 2HB MET 96 4.375 7.862 -0.422 711 HG2 MET 96 1HG MET 96 4.653 6.957 -2.623 712 HG3 MET 96 2HG MET 96 4.825 8.571 -3.310 713 HE1 MET 96 3HE MET 96 8.234 9.745 -1.820 714 HE2 MET 96 1HE MET 96 7.122 10.022 -3.161 715 HE3 MET 96 2HE MET 96 6.547 10.146 -1.498 716 H VAL 97 H VAL 97 3.750 11.120 -1.563 717 HA VAL 97 HA VAL 97 2.976 11.682 -4.317 718 HB VAL 97 HB VAL 97 1.044 12.470 -3.086 719 HG11 VAL 97 1HG1 VAL 97 3.108 13.789 -1.367 720 HG12 VAL 97 2HG1 VAL 97 1.480 14.459 -1.483 721 HG13 VAL 97 3HG1 VAL 97 1.717 12.813 -0.895 722 HG21 VAL 97 3HG2 VAL 97 0.876 14.521 -4.104 723 HG22 VAL 97 1HG2 VAL 97 2.512 14.999 -3.655 724 HG23 VAL 97 2HG2 VAL 97 2.259 13.847 -4.966 725 H THR 98 H THR 98 4.280 13.160 -5.332 726 HA THR 98 HA THR 98 6.473 14.292 -3.717 727 HB THR 98 HB THR 98 6.636 13.299 -6.570 728 HG1 THR 98 1HG THR 98 7.455 12.225 -4.079 729 HG21 THR 98 3HG2 THR 98 8.586 14.367 -6.768 730 HG22 THR 98 1HG2 THR 98 9.146 13.761 -5.210 731 HG23 THR 98 2HG2 THR 98 8.181 15.235 -5.287 732 H LYS 99 H LYS 99 5.640 16.336 -3.472 733 HA LYS 99 HA LYS 99 5.355 17.899 -5.952 734 HB2 LYS 99 1HB LYS 99 3.195 17.412 -4.632 735 HB3 LYS 99 2HB LYS 99 3.830 18.535 -3.437 736 HG2 LYS 99 1HG LYS 99 4.102 20.071 -5.582 737 HG3 LYS 99 2HG LYS 99 2.787 19.047 -6.162 738 HD2 LYS 99 1HD LYS 99 1.640 20.777 -5.141 739 HD3 LYS 99 2HD LYS 99 1.713 19.574 -3.852 740 HE2 LYS 99 1HE LYS 99 3.771 20.737 -3.015 741 HE3 LYS 99 2HE LYS 99 3.455 22.009 -4.194 742 HZ1 LYS 99 3HZ LYS 99 2.540 22.680 -2.122 743 HZ2 LYS 99 1HZ LYS 99 1.731 21.208 -1.916 744 HZ3 LYS 99 2HZ LYS 99 1.241 22.280 -3.129 745 H ASN 100 H ASN 100 6.072 20.061 -5.877 746 HA ASN 100 HA ASN 100 7.330 21.839 -5.195 747 HB2 ASN 100 1HB ASN 100 6.056 21.301 -2.954 748 HB3 ASN 100 2HB ASN 100 7.636 20.723 -2.434 749 HD21 ASN 100 1HD2 ASN 100 5.636 23.365 -2.667 750 HD22 ASN 100 2HD2 ASN 100 6.803 24.612 -2.407 751 H ARG 101 H ARG 101 8.480 19.509 -6.338 752 HA ARG 101 HA ARG 101 10.504 18.567 -6.772 753 HB2 ARG 101 1HB ARG 101 11.356 21.079 -5.344 754 HB3 ARG 101 2HB ARG 101 12.523 19.933 -5.991 755 HG2 ARG 101 1HG ARG 101 11.288 20.220 -8.215 756 HG3 ARG 101 2HG ARG 101 10.557 21.642 -7.468 757 HD2 ARG 101 1HD ARG 101 12.743 22.605 -7.083 758 HD3 ARG 101 2HD ARG 101 13.523 21.151 -7.706 759 HE ARG 101 HE ARG 101 11.908 22.025 -9.741 760 HH11 ARG 101 1HH1 ARG 101 14.514 23.375 -7.869 761 HH12 ARG 101 2HH1 ARG 101 15.073 24.403 -9.146 762 HH21 ARG 101 1HH2 ARG 101 12.634 23.374 -11.431 763 HH22 ARG 101 2HH2 ARG 101 14.003 24.403 -11.172 764 H ARG 102 H ARG 102 9.042 17.951 -4.244 765 HA ARG 102 HA ARG 102 11.249 16.559 -2.925 766 HB2 ARG 102 1HB ARG 102 10.573 17.201 -0.723 767 HB3 ARG 102 2HB ARG 102 10.767 18.673 -1.666 768 HG2 ARG 102 1HG ARG 102 8.455 19.016 -1.815 769 HG3 ARG 102 2HG ARG 102 8.093 17.363 -1.314 770 HD2 ARG 102 1HD ARG 102 7.670 18.486 0.637 771 HD3 ARG 102 2HD ARG 102 9.373 18.090 0.863 772 HE ARG 102 HE ARG 102 8.232 20.713 0.426 773 HH11 ARG 102 1HH1 ARG 102 11.103 18.744 0.430 774 HH12 ARG 102 2HH1 ARG 102 12.182 20.088 0.613 775 HH21 ARG 102 1HH2 ARG 102 9.642 22.490 0.666 776 HH22 ARG 102 2HH2 ARG 102 11.350 22.218 0.748 777 H SER 103 H SER 103 10.648 14.644 -1.857 778 HA SER 103 HA SER 103 8.058 13.585 -2.738 779 HB2 SER 103 1HB SER 103 10.326 11.953 -1.607 780 HB3 SER 103 2HB SER 103 9.001 11.420 -2.641 781 HG SER 103 HG SER 103 11.274 12.948 -3.324 782 H SER 104 H SER 104 6.543 12.859 -1.340 783 HA SER 104 HA SER 104 6.904 13.537 1.461 784 HB2 SER 104 1HB SER 104 4.828 14.259 0.542 785 HB3 SER 104 2HB SER 104 4.510 12.675 -0.165 786 HG SER 104 HG SER 104 4.003 11.883 1.791 787 H THR 105 H THR 105 5.526 11.868 2.924 788 HA THR 105 HA THR 105 7.057 9.401 2.783 789 HB THR 105 HB THR 105 6.827 10.649 4.933 790 HG1 THR 105 1HG THR 105 7.288 8.408 4.954 791 HG21 THR 105 3HG2 THR 105 3.960 9.719 4.743 792 HG22 THR 105 1HG2 THR 105 4.522 11.389 4.724 793 HG23 THR 105 2HG2 THR 105 4.708 10.412 6.181 794 H TRP 106 H TRP 106 5.989 7.315 3.191 795 HA TRP 106 HA TRP 106 3.725 6.998 1.439 796 HB2 TRP 106 1HB TRP 106 5.109 4.906 3.131 797 HB3 TRP 106 2HB TRP 106 4.044 4.618 1.757 798 HD1 TRP 106 HD TRP 106 7.605 5.723 2.606 799 HE1 TRP 106 1HE TRP 106 9.037 5.599 0.471 800 HE3 TRP 106 3HE TRP 106 3.913 4.739 -0.791 801 HZ2 TRP 106 2HZ TRP 106 8.652 5.144 -2.288 802 HZ3 TRP 106 3HZ TRP 106 4.529 4.474 -3.158 803 HH2 TRP 106 HH TRP 106 6.850 4.673 -3.890 804 H SER 107 H SER 107 1.652 6.495 1.966 805 HA SER 107 HA SER 107 0.796 7.094 4.642 806 HB2 SER 107 1HB SER 107 -1.487 6.694 3.729 807 HB3 SER 107 2HB SER 107 -0.558 7.849 2.773 808 HG SER 107 HG SER 107 -1.099 5.131 2.188 809 H MET 108 H MET 108 -0.908 5.629 5.671 810 HA MET 108 HA MET 108 0.111 3.401 6.737 811 HB2 MET 108 1HB MET 108 -2.276 2.508 6.887 812 HB3 MET 108 2HB MET 108 -1.982 4.108 7.554 813 HG2 MET 108 1HG MET 108 -3.112 5.174 5.844 814 HG3 MET 108 2HG MET 108 -2.942 3.808 4.744 815 HE1 MET 108 3HE MET 108 -3.625 1.460 5.843 816 HE2 MET 108 1HE MET 108 -5.259 1.191 6.452 817 HE3 MET 108 2HE MET 108 -5.011 1.660 4.770 818 H THR 109 H THR 109 0.906 1.550 6.010 819 HA THR 109 HA THR 109 0.591 0.747 3.285 820 HB THR 109 HB THR 109 1.783 -0.919 5.503 821 HG1 THR 109 1HG THR 109 3.357 0.738 3.870 822 HG21 THR 109 3HG2 THR 109 3.093 -1.914 3.737 823 HG22 THR 109 1HG2 THR 109 2.423 -0.790 2.555 824 HG23 THR 109 2HG2 THR 109 1.386 -2.005 3.302 825 H ALA 110 H ALA 110 -0.847 -0.605 2.420 826 HA ALA 110 HA ALA 110 -2.717 -1.975 4.213 827 HB1 ALA 110 3HB ALA 110 -4.169 -2.170 2.259 828 HB2 ALA 110 1HB ALA 110 -3.691 -0.495 2.535 829 HB3 ALA 110 2HB ALA 110 -2.923 -1.432 1.253 830 H HIS 111 H HIS 111 -3.481 -4.146 3.547 831 HA HIS 111 HA HIS 111 -1.322 -5.722 2.306 832 HB2 HIS 111 1HB HIS 111 -2.917 -6.258 4.796 833 HB3 HIS 111 2HB HIS 111 -2.201 -7.585 3.886 834 HD1 HIS 111 1HD HIS 111 0.537 -6.520 3.223 835 HD2 HIS 111 2HD HIS 111 -1.272 -5.940 6.918 836 HE1 HIS 111 1HE HIS 111 2.420 -6.085 4.832 837 HE2 HIS 111 2HE HIS 111 1.307 -5.821 7.076 838 H ALA 112 H ALA 112 -1.997 -7.718 1.286 839 HA ALA 112 HA ALA 112 -4.709 -8.395 0.879 840 HB1 ALA 112 3HB ALA 112 -3.423 -6.912 -1.411 841 HB2 ALA 112 1HB ALA 112 -5.000 -7.703 -1.434 842 HB3 ALA 112 2HB ALA 112 -4.730 -6.302 -0.395 843 H THR 113 H THR 113 -4.564 -10.515 0.624 844 HA THR 113 HA THR 113 -2.173 -11.691 -0.546 845 HB THR 113 HB THR 113 -4.489 -13.327 0.419 846 HG1 THR 113 1HG THR 113 -4.113 -11.740 2.046 847 HG21 THR 113 3HG2 THR 113 -2.378 -14.576 1.361 848 HG22 THR 113 1HG2 THR 113 -1.532 -13.628 0.140 849 HG23 THR 113 2HG2 THR 113 -2.825 -14.729 -0.338 850 H THR 114 H THR 114 -2.179 -13.107 -2.308 851 HA THR 114 HA THR 114 -4.331 -12.611 -4.216 852 HB THR 114 HB THR 114 -2.772 -13.785 -5.832 853 HG1 THR 114 1HG THR 114 -1.402 -14.911 -4.525 854 HG21 THR 114 3HG2 THR 114 -1.570 -11.381 -4.460 855 HG22 THR 114 1HG2 THR 114 -2.948 -11.298 -5.556 856 HG23 THR 114 2HG2 THR 114 -1.384 -11.858 -6.147 857 H TYR 115 H TYR 115 -5.426 -14.266 -5.318 858 HA TYR 115 HA TYR 115 -6.193 -16.470 -3.762 859 HB2 TYR 115 1HB TYR 115 -6.513 -16.168 -6.753 860 HB3 TYR 115 2HB TYR 115 -7.474 -17.187 -5.687 861 HD1 TYR 115 2HD TYR 115 -9.139 -16.199 -4.189 862 HD2 TYR 115 1HD TYR 115 -6.897 -13.788 -6.885 863 HE1 TYR 115 2HE TYR 115 -10.736 -14.357 -3.861 864 HE2 TYR 115 1HE TYR 115 -8.487 -11.939 -6.563 865 HH TYR 115 HH TYR 115 -10.374 -11.280 -5.600 866 H GLU 116 H GLU 116 -5.549 -18.555 -3.676 867 HA GLU 116 HA GLU 116 -2.966 -19.284 -4.395 868 HB2 GLU 116 1HB GLU 116 -4.716 -20.381 -2.764 869 HB3 GLU 116 2HB GLU 116 -5.091 -21.376 -4.164 870 HG2 GLU 116 1HG GLU 116 -2.459 -21.662 -4.198 871 HG3 GLU 116 2HG GLU 116 -2.653 -21.300 -2.484 872 H ALA 117 H ALA 117 -2.066 -19.794 -6.271 873 HA ALA 117 HA ALA 117 -3.371 -19.771 -8.717 874 HB1 ALA 117 3HB ALA 117 -1.074 -19.440 -8.819 875 HB2 ALA 117 1HB ALA 117 -0.725 -20.866 -7.841 876 HB3 ALA 117 2HB ALA 117 -1.275 -21.051 -9.507 877 H SER 118 H SER 118 -2.541 -22.518 -6.646 878 HA SER 118 HA SER 118 -3.889 -24.339 -8.498 879 HB2 SER 118 1HB SER 118 -1.583 -24.791 -7.380 880 HB3 SER 118 2HB SER 118 -2.537 -25.195 -5.953 881 HG SER 118 HG SER 118 -3.511 -26.836 -7.077 882 H GLY 119 H GLY 119 -6.051 -24.132 -8.207 883 HA2 GLY 119 1HA GLY 119 -7.830 -25.243 -6.915 884 HA3 GLY 119 2HA GLY 119 -7.057 -24.611 -5.469 885 HA PRO 120 HA PRO 120 -9.630 -21.214 -7.855 886 HB2 PRO 120 1HB PRO 120 -12.050 -22.219 -8.566 887 HB3 PRO 120 2HB PRO 120 -10.658 -22.204 -9.656 888 HG2 PRO 120 1HG PRO 120 -11.728 -24.442 -7.980 889 HG3 PRO 120 2HG PRO 120 -11.149 -24.478 -9.655 890 HD2 PRO 120 1HD PRO 120 -9.630 -25.302 -7.571 891 HD3 PRO 120 2HD PRO 120 -8.934 -24.549 -9.021 892 H SER 121 H SER 121 -11.098 -19.907 -6.778 893 HA SER 121 HA SER 121 -11.997 -20.936 -4.194 894 HB2 SER 121 1HB SER 121 -10.705 -18.893 -4.094 895 HB3 SER 121 2HB SER 121 -11.768 -18.115 -5.266 896 HG SER 121 HG SER 121 -12.191 -18.672 -2.563 897 H SER 122 H SER 122 -13.923 -21.923 -4.388 898 HA SER 122 HA SER 122 -16.074 -20.467 -5.782 899 HB2 SER 122 1HB SER 122 -17.173 -22.685 -6.057 900 HB3 SER 122 2HB SER 122 -15.612 -22.589 -6.872 901 HG SER 122 HG SER 122 -16.287 -23.938 -4.489 902 H GLY 123 H GLY 123 -17.502 -19.566 -4.463 903 HA2 GLY 123 1HA GLY 123 -18.413 -21.046 -2.111 904 HA3 GLY 123 2HA GLY 123 -17.712 -19.459 -1.837 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -5.395 35.030 22.480 2 HA2 GLY 1 1HA GLY 1 -6.051 34.097 20.052 3 HA3 GLY 1 2HA GLY 1 -4.497 33.318 20.314 4 H SER 2 H SER 2 -6.767 31.817 19.937 5 HA SER 2 HA SER 2 -6.726 30.126 22.196 6 HB2 SER 2 1HB SER 2 -8.145 31.811 23.229 7 HB3 SER 2 2HB SER 2 -9.234 31.787 21.842 8 HG SER 2 HG SER 2 -8.709 29.590 23.564 9 H SER 3 H SER 3 -8.109 28.235 21.932 10 HA SER 3 HA SER 3 -9.698 27.822 19.632 11 HB2 SER 3 1HB SER 3 -7.233 27.928 18.756 12 HB3 SER 3 2HB SER 3 -7.119 26.301 19.429 13 HG SER 3 HG SER 3 -9.303 26.918 17.794 14 H GLY 4 H GLY 4 -10.017 25.351 19.270 15 HA2 GLY 4 1HA GLY 4 -9.433 23.612 21.459 16 HA3 GLY 4 2HA GLY 4 -11.076 24.227 21.552 17 H SER 5 H SER 5 -12.551 23.723 19.848 18 HA SER 5 HA SER 5 -13.600 22.217 18.498 19 HB2 SER 5 1HB SER 5 -11.927 23.282 16.920 20 HB3 SER 5 2HB SER 5 -10.900 21.873 17.184 21 HG SER 5 HG SER 5 -12.841 22.101 15.450 22 H SER 6 H SER 6 -12.920 21.103 20.879 23 HA SER 6 HA SER 6 -11.347 18.806 20.844 24 HB2 SER 6 1HB SER 6 -12.239 19.798 22.911 25 HB3 SER 6 2HB SER 6 -13.868 19.308 22.445 26 HG SER 6 HG SER 6 -12.423 17.907 23.910 27 H GLY 7 H GLY 7 -12.263 16.529 21.130 28 HA2 GLY 7 1HA GLY 7 -14.689 15.893 19.736 29 HA3 GLY 7 2HA GLY 7 -13.258 15.557 18.774 30 H PHE 8 H PHE 8 -13.316 13.365 18.745 31 HA PHE 8 HA PHE 8 -13.723 11.871 21.194 32 HB2 PHE 8 1HB PHE 8 -13.362 11.129 18.305 33 HB3 PHE 8 2HB PHE 8 -13.231 9.905 19.564 34 HD1 PHE 8 2HD PHE 8 -15.176 9.327 20.939 35 HD2 PHE 8 1HD PHE 8 -15.467 12.071 17.698 36 HE1 PHE 8 2HE PHE 8 -17.624 9.085 20.958 37 HE2 PHE 8 1HE PHE 8 -17.916 11.833 17.712 38 HZ PHE 8 HZ PHE 8 -18.998 10.338 19.343 39 HA PRO 9 HA PRO 9 -9.473 11.469 22.264 40 HB2 PRO 9 1HB PRO 9 -9.612 9.187 23.728 41 HB3 PRO 9 2HB PRO 9 -10.214 10.742 24.314 42 HG2 PRO 9 1HG PRO 9 -11.726 8.459 23.104 43 HG3 PRO 9 2HG PRO 9 -12.146 9.461 24.506 44 HD2 PRO 9 1HD PRO 9 -13.234 9.853 22.057 45 HD3 PRO 9 2HD PRO 9 -12.940 11.183 23.196 46 H THR 10 H THR 10 -8.774 11.053 20.062 47 HA THR 10 HA THR 10 -7.802 8.318 19.756 48 HB THR 10 HB THR 10 -9.259 9.748 17.524 49 HG1 THR 10 1HG THR 10 -10.561 7.651 17.882 50 HG21 THR 10 3HG2 THR 10 -8.120 6.953 17.614 51 HG22 THR 10 1HG2 THR 10 -7.353 8.322 16.810 52 HG23 THR 10 2HG2 THR 10 -8.914 7.729 16.244 53 H SER 11 H SER 11 -5.689 8.436 19.429 54 HA SER 11 HA SER 11 -4.151 10.652 19.116 55 HB2 SER 11 1HB SER 11 -2.355 9.228 18.396 56 HB3 SER 11 2HB SER 11 -3.338 8.303 19.531 57 HG SER 11 HG SER 11 -3.512 8.162 16.699 58 H VAL 12 H VAL 12 -3.150 11.741 17.398 59 HA VAL 12 HA VAL 12 -4.618 11.553 14.854 60 HB VAL 12 HB VAL 12 -2.923 13.921 15.463 61 HG11 VAL 12 1HG1 VAL 12 -4.012 13.860 13.341 62 HG12 VAL 12 2HG1 VAL 12 -5.563 13.462 14.084 63 HG13 VAL 12 3HG1 VAL 12 -4.847 15.055 14.332 64 HG21 VAL 12 3HG2 VAL 12 -4.618 14.978 16.806 65 HG22 VAL 12 1HG2 VAL 12 -5.665 13.565 16.667 66 HG23 VAL 12 2HG2 VAL 12 -4.154 13.458 17.570 67 HA PRO 13 HA PRO 13 -0.920 10.094 12.926 68 HB2 PRO 13 1HB PRO 13 -1.653 10.537 10.350 69 HB3 PRO 13 2HB PRO 13 -2.301 9.208 11.318 70 HG2 PRO 13 1HG PRO 13 -3.517 11.874 10.707 71 HG3 PRO 13 2HG PRO 13 -4.279 10.273 10.716 72 HD2 PRO 13 1HD PRO 13 -4.534 12.020 12.769 73 HD3 PRO 13 2HD PRO 13 -4.516 10.261 13.009 74 H ASP 14 H ASP 14 -1.756 13.238 13.299 75 HA ASP 14 HA ASP 14 -0.660 14.877 11.510 76 HB2 ASP 14 1HB ASP 14 -0.080 16.395 13.245 77 HB3 ASP 14 2HB ASP 14 -1.452 15.468 13.847 78 H LEU 15 H LEU 15 1.105 14.811 10.302 79 HA LEU 15 HA LEU 15 3.494 13.458 11.325 80 HB2 LEU 15 1HB LEU 15 2.557 14.192 8.570 81 HB3 LEU 15 2HB LEU 15 4.225 13.714 8.883 82 HG LEU 15 HG LEU 15 2.041 11.896 9.773 83 HD11 LEU 15 1HD1 LEU 15 3.001 11.446 7.036 84 HD12 LEU 15 2HD1 LEU 15 1.913 12.820 7.231 85 HD13 LEU 15 3HD1 LEU 15 1.399 11.210 7.735 86 HD21 LEU 15 3HD2 LEU 15 4.914 11.814 9.244 87 HD22 LEU 15 1HD2 LEU 15 4.025 10.444 8.576 88 HD23 LEU 15 2HD2 LEU 15 3.923 10.805 10.299 89 H SER 16 H SER 16 5.617 14.429 10.544 90 HA SER 16 HA SER 16 5.613 17.258 11.272 91 HB2 SER 16 1HB SER 16 7.916 15.311 10.989 92 HB3 SER 16 2HB SER 16 8.042 16.968 11.579 93 HG SER 16 HG SER 16 7.560 16.199 13.461 94 H THR 17 H THR 17 6.539 15.111 8.647 95 HA THR 17 HA THR 17 8.037 16.742 7.036 96 HB THR 17 HB THR 17 7.176 15.498 5.104 97 HG1 THR 17 1HG THR 17 5.411 14.105 6.814 98 HG21 THR 17 3HG2 THR 17 8.831 14.461 6.646 99 HG22 THR 17 1HG2 THR 17 7.821 13.284 5.809 100 HG23 THR 17 2HG2 THR 17 7.496 13.683 7.496 101 HA PRO 18 HA PRO 18 5.496 20.129 5.837 102 HB2 PRO 18 1HB PRO 18 6.692 20.775 3.487 103 HB3 PRO 18 2HB PRO 18 7.423 21.110 5.061 104 HG2 PRO 18 1HG PRO 18 7.962 18.858 3.164 105 HG3 PRO 18 2HG PRO 18 9.112 19.838 4.093 106 HD2 PRO 18 1HD PRO 18 8.354 17.356 4.867 107 HD3 PRO 18 2HD PRO 18 8.767 18.634 6.028 108 H MET 19 H MET 19 5.315 17.154 4.468 109 HA MET 19 HA MET 19 3.345 18.025 2.457 110 HB2 MET 19 1HB MET 19 5.085 15.557 2.507 111 HB3 MET 19 2HB MET 19 3.768 15.803 1.368 112 HG2 MET 19 1HG MET 19 5.099 18.060 0.926 113 HG3 MET 19 2HG MET 19 6.440 17.064 1.487 114 HE1 MET 19 3HE MET 19 3.346 17.123 -0.695 115 HE2 MET 19 1HE MET 19 3.768 16.203 -2.139 116 HE3 MET 19 2HE MET 19 3.381 15.360 -0.639 117 H LEU 20 H LEU 20 1.815 15.996 1.988 118 HA LEU 20 HA LEU 20 1.006 14.753 4.511 119 HB2 LEU 20 1HB LEU 20 -0.227 16.989 3.857 120 HB3 LEU 20 2HB LEU 20 -1.121 15.916 2.782 121 HG LEU 20 HG LEU 20 -2.276 16.342 4.923 122 HD11 LEU 20 1HD1 LEU 20 -2.696 14.290 3.667 123 HD12 LEU 20 2HD1 LEU 20 -2.819 14.018 5.405 124 HD13 LEU 20 3HD1 LEU 20 -1.382 13.490 4.530 125 HD21 LEU 20 3HD2 LEU 20 0.274 15.937 6.012 126 HD22 LEU 20 1HD2 LEU 20 -0.708 14.579 6.560 127 HD23 LEU 20 2HD2 LEU 20 -1.233 16.232 6.880 128 HA PRO 21 HA PRO 21 0.844 11.432 1.500 129 HB2 PRO 21 1HB PRO 21 0.528 9.462 3.341 130 HB3 PRO 21 2HB PRO 21 2.093 10.203 2.986 131 HG2 PRO 21 1HG PRO 21 0.201 10.759 5.238 132 HG3 PRO 21 2HG PRO 21 1.967 10.599 5.274 133 HD2 PRO 21 1HD PRO 21 0.722 13.004 5.283 134 HD3 PRO 21 2HD PRO 21 2.303 12.750 4.517 135 HA PRO 22 HA PRO 22 -3.468 10.691 1.033 136 HB2 PRO 22 1HB PRO 22 -3.471 8.201 -0.048 137 HB3 PRO 22 2HB PRO 22 -2.956 9.636 -0.943 138 HG2 PRO 22 1HG PRO 22 -1.292 7.567 0.441 139 HG3 PRO 22 2HG PRO 22 -1.046 8.325 -1.143 140 HD2 PRO 22 1HD PRO 22 0.310 9.101 1.069 141 HD3 PRO 22 2HD PRO 22 -0.126 10.231 -0.229 142 H VAL 23 H VAL 23 -5.126 8.776 1.366 143 HA VAL 23 HA VAL 23 -4.526 7.150 3.698 144 HB VAL 23 HB VAL 23 -6.384 7.963 5.026 145 HG11 VAL 23 1HG1 VAL 23 -4.235 9.004 5.414 146 HG12 VAL 23 2HG1 VAL 23 -4.545 10.183 4.138 147 HG13 VAL 23 3HG1 VAL 23 -5.518 10.198 5.609 148 HG21 VAL 23 3HG2 VAL 23 -7.891 9.581 4.386 149 HG22 VAL 23 1HG2 VAL 23 -6.788 10.296 3.211 150 HG23 VAL 23 2HG2 VAL 23 -7.593 8.769 2.849 151 H GLY 24 H GLY 24 -6.888 6.169 4.391 152 HA2 GLY 24 1HA GLY 24 -8.421 4.572 3.776 153 HA3 GLY 24 2HA GLY 24 -8.845 5.698 2.495 154 H VAL 25 H VAL 25 -5.681 4.226 2.778 155 HA VAL 25 HA VAL 25 -5.722 3.291 0.108 156 HB VAL 25 HB VAL 25 -3.840 2.220 2.188 157 HG11 VAL 25 1HG1 VAL 25 -2.377 2.816 -0.008 158 HG12 VAL 25 2HG1 VAL 25 -3.135 1.249 0.282 159 HG13 VAL 25 3HG1 VAL 25 -3.935 2.441 -0.743 160 HG21 VAL 25 3HG2 VAL 25 -2.603 4.451 1.112 161 HG22 VAL 25 1HG2 VAL 25 -4.243 4.998 1.461 162 HG23 VAL 25 2HG2 VAL 25 -3.255 4.300 2.744 163 H GLN 26 H GLN 26 -6.815 1.607 -0.640 164 HA GLN 26 HA GLN 26 -7.189 -0.724 1.124 165 HB2 GLN 26 1HB GLN 26 -9.324 0.281 0.721 166 HB3 GLN 26 2HB GLN 26 -9.003 0.410 -1.003 167 HG2 GLN 26 1HG GLN 26 -10.357 -1.412 -0.997 168 HG3 GLN 26 2HG GLN 26 -8.793 -2.205 -0.820 169 HE21 GLN 26 1HE2 GLN 26 -11.262 -3.322 -0.062 170 HE22 GLN 26 2HE2 GLN 26 -11.249 -3.540 1.651 171 H ALA 27 H ALA 27 -6.275 -2.556 0.484 172 HA ALA 27 HA ALA 27 -5.197 -2.712 -2.235 173 HB1 ALA 27 3HB ALA 27 -4.035 -4.785 -1.197 174 HB2 ALA 27 1HB ALA 27 -3.480 -3.170 -0.755 175 HB3 ALA 27 2HB ALA 27 -4.526 -4.074 0.340 176 H VAL 28 H VAL 28 -6.772 -3.442 -3.566 177 HA VAL 28 HA VAL 28 -8.432 -5.698 -2.743 178 HB VAL 28 HB VAL 28 -8.555 -4.157 -5.335 179 HG11 VAL 28 1HG1 VAL 28 -9.624 -6.503 -5.014 180 HG12 VAL 28 2HG1 VAL 28 -10.822 -5.629 -4.058 181 HG13 VAL 28 3HG1 VAL 28 -10.569 -5.211 -5.753 182 HG21 VAL 28 3HG2 VAL 28 -10.597 -3.660 -3.279 183 HG22 VAL 28 1HG2 VAL 28 -8.988 -3.044 -2.904 184 HG23 VAL 28 2HG2 VAL 28 -9.802 -2.540 -4.385 185 H ALA 29 H ALA 29 -8.251 -7.718 -3.536 186 HA ALA 29 HA ALA 29 -5.974 -8.268 -5.287 187 HB1 ALA 29 3HB ALA 29 -6.056 -10.507 -4.503 188 HB2 ALA 29 1HB ALA 29 -6.268 -9.466 -3.095 189 HB3 ALA 29 2HB ALA 29 -7.661 -10.277 -3.811 190 H LEU 30 H LEU 30 -6.351 -8.411 -7.393 191 HA LEU 30 HA LEU 30 -9.007 -8.975 -8.396 192 HB2 LEU 30 1HB LEU 30 -6.501 -8.596 -10.012 193 HB3 LEU 30 2HB LEU 30 -8.170 -8.381 -10.534 194 HG LEU 30 HG LEU 30 -6.897 -6.626 -8.449 195 HD11 LEU 30 1HD1 LEU 30 -6.566 -6.621 -11.378 196 HD12 LEU 30 2HD1 LEU 30 -5.523 -5.973 -10.113 197 HD13 LEU 30 3HD1 LEU 30 -6.942 -5.066 -10.635 198 HD21 LEU 30 3HD2 LEU 30 -9.086 -6.103 -8.293 199 HD22 LEU 30 1HD2 LEU 30 -9.465 -6.740 -9.893 200 HD23 LEU 30 2HD2 LEU 30 -8.741 -5.140 -9.730 201 H THR 31 H THR 31 -5.763 -10.399 -8.763 202 HA THR 31 HA THR 31 -6.967 -13.041 -8.971 203 HB THR 31 HB THR 31 -6.690 -11.998 -11.322 204 HG1 THR 31 1HG THR 31 -5.753 -14.138 -12.021 205 HG21 THR 31 3HG2 THR 31 -4.067 -11.680 -10.398 206 HG22 THR 31 1HG2 THR 31 -4.656 -11.430 -12.041 207 HG23 THR 31 2HG2 THR 31 -3.996 -12.996 -11.569 208 H HIS 32 H HIS 32 -5.075 -14.708 -9.296 209 HA HIS 32 HA HIS 32 -3.512 -14.729 -7.038 210 HB2 HIS 32 1HB HIS 32 -2.042 -16.368 -8.347 211 HB3 HIS 32 2HB HIS 32 -3.749 -16.772 -8.192 212 HD1 HIS 32 1HD HIS 32 -5.237 -16.366 -10.357 213 HD2 HIS 32 2HD HIS 32 -1.130 -16.095 -10.923 214 HE1 HIS 32 1HE HIS 32 -4.890 -16.513 -12.843 215 HE2 HIS 32 2HE HIS 32 -2.392 -16.433 -13.155 216 H ASP 33 H ASP 33 -2.744 -13.392 -10.205 217 HA ASP 33 HA ASP 33 -0.284 -12.250 -9.050 218 HB2 ASP 33 1HB ASP 33 0.643 -12.230 -11.345 219 HB3 ASP 33 2HB ASP 33 0.269 -13.859 -10.788 220 H ALA 34 H ALA 34 -2.731 -10.982 -8.724 221 HA ALA 34 HA ALA 34 -2.196 -8.480 -10.081 222 HB1 ALA 34 3HB ALA 34 -4.473 -8.212 -10.934 223 HB2 ALA 34 1HB ALA 34 -3.664 -9.592 -11.676 224 HB3 ALA 34 2HB ALA 34 -4.864 -9.849 -10.408 225 H VAL 35 H VAL 35 -3.081 -6.682 -9.034 226 HA VAL 35 HA VAL 35 -4.871 -6.992 -6.803 227 HB VAL 35 HB VAL 35 -1.955 -6.429 -6.348 228 HG11 VAL 35 1HG1 VAL 35 -4.237 -5.689 -4.518 229 HG12 VAL 35 2HG1 VAL 35 -2.524 -5.631 -4.097 230 HG13 VAL 35 3HG1 VAL 35 -3.161 -4.567 -5.351 231 HG21 VAL 35 3HG2 VAL 35 -3.946 -8.437 -5.474 232 HG22 VAL 35 1HG2 VAL 35 -2.226 -8.618 -5.820 233 HG23 VAL 35 2HG2 VAL 35 -2.748 -7.930 -4.282 234 H ARG 36 H ARG 36 -6.188 -5.325 -7.084 235 HA ARG 36 HA ARG 36 -5.240 -2.881 -8.330 236 HB2 ARG 36 1HB ARG 36 -7.354 -3.699 -9.108 237 HB3 ARG 36 2HB ARG 36 -7.977 -3.814 -7.467 238 HG2 ARG 36 1HG ARG 36 -8.930 -1.902 -8.579 239 HG3 ARG 36 2HG ARG 36 -7.868 -1.366 -7.275 240 HD2 ARG 36 1HD ARG 36 -7.256 0.041 -8.999 241 HD3 ARG 36 2HD ARG 36 -6.068 -1.253 -9.145 242 HE ARG 36 HE ARG 36 -8.116 -2.011 -10.785 243 HH11 ARG 36 1HH1 ARG 36 -6.087 0.805 -10.511 244 HH12 ARG 36 2HH1 ARG 36 -6.149 1.175 -12.202 245 HH21 ARG 36 1HH2 ARG 36 -8.205 -1.534 -13.014 246 HH22 ARG 36 2HH2 ARG 36 -7.355 -0.156 -13.625 247 H VAL 37 H VAL 37 -4.124 -1.593 -6.983 248 HA VAL 37 HA VAL 37 -5.019 -1.230 -4.231 249 HB VAL 37 HB VAL 37 -2.603 -0.048 -5.608 250 HG11 VAL 37 1HG1 VAL 37 -1.830 0.152 -3.192 251 HG12 VAL 37 2HG1 VAL 37 -3.088 1.272 -3.721 252 HG13 VAL 37 3HG1 VAL 37 -3.511 -0.134 -2.744 253 HG21 VAL 37 3HG2 VAL 37 -1.738 -1.946 -3.790 254 HG22 VAL 37 1HG2 VAL 37 -3.121 -2.710 -4.575 255 HG23 VAL 37 2HG2 VAL 37 -1.772 -2.119 -5.545 256 H SER 38 H SER 38 -6.572 0.222 -3.914 257 HA SER 38 HA SER 38 -6.419 2.771 -5.388 258 HB2 SER 38 1HB SER 38 -8.886 2.901 -5.198 259 HB3 SER 38 2HB SER 38 -8.365 1.490 -6.118 260 HG SER 38 HG SER 38 -10.029 1.144 -4.455 261 H TRP 39 H TRP 39 -6.560 4.635 -4.242 262 HA TRP 39 HA TRP 39 -7.107 4.437 -1.360 263 HB2 TRP 39 1HB TRP 39 -5.263 6.041 -0.937 264 HB3 TRP 39 2HB TRP 39 -4.692 4.514 -1.605 265 HD1 TRP 39 HD TRP 39 -4.864 8.224 -2.349 266 HE1 TRP 39 1HE TRP 39 -3.518 8.721 -4.487 267 HE3 TRP 39 3HE TRP 39 -3.998 3.429 -3.897 268 HZ2 TRP 39 2HZ TRP 39 -2.258 7.272 -6.555 269 HZ3 TRP 39 3HZ TRP 39 -2.715 3.071 -5.966 270 HH2 TRP 39 HH TRP 39 -1.864 4.954 -7.266 271 H ALA 40 H ALA 40 -7.061 6.902 -0.503 272 HA ALA 40 HA ALA 40 -8.798 8.432 -2.330 273 HB1 ALA 40 3HB ALA 40 -9.118 8.816 0.586 274 HB2 ALA 40 1HB ALA 40 -10.323 8.830 -0.703 275 HB3 ALA 40 2HB ALA 40 -9.703 7.296 -0.090 276 H ASP 41 H ASP 41 -8.636 10.696 -2.276 277 HA ASP 41 HA ASP 41 -6.035 11.656 -1.351 278 HB2 ASP 41 1HB ASP 41 -6.533 13.635 -2.782 279 HB3 ASP 41 2HB ASP 41 -6.536 12.114 -3.670 280 H ASN 42 H ASN 42 -5.780 13.074 0.268 281 HA ASN 42 HA ASN 42 -8.208 14.266 1.437 282 HB2 ASN 42 1HB ASN 42 -6.829 12.403 2.709 283 HB3 ASN 42 2HB ASN 42 -5.782 13.762 3.108 284 HD21 ASN 42 1HD2 ASN 42 -9.065 12.538 3.319 285 HD22 ASN 42 2HD2 ASN 42 -9.521 13.468 4.703 286 H SER 43 H SER 43 -5.017 14.762 0.256 287 HA SER 43 HA SER 43 -4.777 17.417 1.412 288 HB2 SER 43 1HB SER 43 -2.577 17.462 0.510 289 HB3 SER 43 2HB SER 43 -2.820 15.814 1.089 290 HG SER 43 HG SER 43 -3.597 15.556 -1.266 291 H VAL 44 H VAL 44 -6.971 16.836 -0.430 292 HA VAL 44 HA VAL 44 -6.350 18.867 -2.469 293 HB VAL 44 HB VAL 44 -7.800 16.259 -2.836 294 HG11 VAL 44 1HG1 VAL 44 -8.187 17.391 -5.215 295 HG12 VAL 44 2HG1 VAL 44 -9.368 17.508 -3.909 296 HG13 VAL 44 3HG1 VAL 44 -8.256 18.842 -4.215 297 HG21 VAL 44 3HG2 VAL 44 -5.640 15.905 -3.497 298 HG22 VAL 44 1HG2 VAL 44 -6.319 16.509 -5.009 299 HG23 VAL 44 2HG2 VAL 44 -5.390 17.587 -3.966 300 HA PRO 45 HA PRO 45 -9.927 20.371 -0.037 301 HB2 PRO 45 1HB PRO 45 -9.302 22.993 -0.359 302 HB3 PRO 45 2HB PRO 45 -8.580 21.981 0.897 303 HG2 PRO 45 1HG PRO 45 -7.467 22.780 -1.765 304 HG3 PRO 45 2HG PRO 45 -6.658 22.714 -0.188 305 HD2 PRO 45 1HD PRO 45 -6.379 20.769 -2.050 306 HD3 PRO 45 2HD PRO 45 -6.336 20.435 -0.307 307 H LYS 46 H LYS 46 -11.757 21.655 -0.674 308 HA LYS 46 HA LYS 46 -12.543 21.270 -3.350 309 HB2 LYS 46 1HB LYS 46 -13.989 21.559 -1.224 310 HB3 LYS 46 2HB LYS 46 -13.829 23.284 -1.525 311 HG2 LYS 46 1HG LYS 46 -14.934 23.101 -3.623 312 HG3 LYS 46 2HG LYS 46 -14.892 21.338 -3.556 313 HD2 LYS 46 1HD LYS 46 -16.223 21.707 -1.323 314 HD3 LYS 46 2HD LYS 46 -16.621 23.259 -2.065 315 HE2 LYS 46 1HE LYS 46 -18.363 21.918 -2.776 316 HE3 LYS 46 2HE LYS 46 -17.242 21.819 -4.133 317 HZ1 LYS 46 3HZ LYS 46 -16.900 19.816 -2.058 318 HZ2 LYS 46 1HZ LYS 46 -16.820 19.659 -3.740 319 HZ3 LYS 46 2HZ LYS 46 -18.322 19.692 -2.965 320 H ASN 47 H ASN 47 -12.857 22.724 -5.043 321 HA ASN 47 HA ASN 47 -12.091 24.347 -6.462 322 HB2 ASN 47 1HB ASN 47 -12.867 25.929 -4.009 323 HB3 ASN 47 2HB ASN 47 -12.444 26.684 -5.543 324 HD21 ASN 47 1HD2 ASN 47 -13.915 26.760 -7.145 325 HD22 ASN 47 2HD2 ASN 47 -15.517 26.122 -7.027 326 H GLN 48 H GLN 48 -9.932 23.088 -5.596 327 HA GLN 48 HA GLN 48 -8.000 24.274 -4.093 328 HB2 GLN 48 1HB GLN 48 -7.918 22.602 -6.555 329 HB3 GLN 48 2HB GLN 48 -6.421 23.364 -6.036 330 HG2 GLN 48 1HG GLN 48 -6.740 22.320 -3.802 331 HG3 GLN 48 2HG GLN 48 -8.126 21.453 -4.460 332 HE21 GLN 48 1HE2 GLN 48 -4.870 21.312 -3.866 333 HE22 GLN 48 2HE2 GLN 48 -4.453 20.006 -4.917 334 H LYS 49 H LYS 49 -7.457 26.354 -4.048 335 HA LYS 49 HA LYS 49 -7.699 28.133 -6.225 336 HB2 LYS 49 1HB LYS 49 -6.202 28.335 -3.613 337 HB3 LYS 49 2HB LYS 49 -6.293 29.658 -4.767 338 HG2 LYS 49 1HG LYS 49 -8.768 28.355 -3.694 339 HG3 LYS 49 2HG LYS 49 -7.940 29.641 -2.812 340 HD2 LYS 49 1HD LYS 49 -8.071 30.901 -5.095 341 HD3 LYS 49 2HD LYS 49 -9.364 29.749 -5.439 342 HE2 LYS 49 1HE LYS 49 -10.394 31.679 -4.523 343 HE3 LYS 49 2HE LYS 49 -10.416 30.447 -3.263 344 HZ1 LYS 49 3HZ LYS 49 -9.727 32.756 -2.569 345 HZ2 LYS 49 1HZ LYS 49 -8.291 32.500 -3.425 346 HZ3 LYS 49 2HZ LYS 49 -8.683 31.504 -2.116 347 H THR 50 H THR 50 -4.767 26.841 -4.655 348 HA THR 50 HA THR 50 -3.135 27.713 -6.887 349 HB THR 50 HB THR 50 -1.245 26.755 -5.591 350 HG1 THR 50 1HG THR 50 -2.909 25.246 -4.480 351 HG21 THR 50 3HG2 THR 50 -1.378 28.945 -5.005 352 HG22 THR 50 1HG2 THR 50 -1.836 28.260 -3.446 353 HG23 THR 50 2HG2 THR 50 -3.080 28.834 -4.557 354 H SER 51 H SER 51 -3.206 26.518 -8.680 355 HA SER 51 HA SER 51 -3.789 23.713 -8.651 356 HB2 SER 51 1HB SER 51 -3.512 23.837 -11.079 357 HB3 SER 51 2HB SER 51 -4.501 25.181 -10.508 358 HG SER 51 HG SER 51 -2.550 26.456 -10.559 359 H GLU 52 H GLU 52 -2.066 22.960 -7.285 360 HA GLU 52 HA GLU 52 0.601 22.987 -8.507 361 HB2 GLU 52 1HB GLU 52 -0.332 22.303 -5.719 362 HB3 GLU 52 2HB GLU 52 1.315 22.043 -6.274 363 HG2 GLU 52 1HG GLU 52 0.126 24.748 -6.583 364 HG3 GLU 52 2HG GLU 52 0.630 24.221 -4.979 365 H VAL 53 H VAL 53 1.077 21.321 -9.764 366 HA VAL 53 HA VAL 53 -0.393 18.856 -9.656 367 HB VAL 53 HB VAL 53 0.506 19.887 -11.772 368 HG11 VAL 53 1HG1 VAL 53 2.737 20.449 -10.858 369 HG12 VAL 53 2HG1 VAL 53 3.124 18.728 -10.826 370 HG13 VAL 53 3HG1 VAL 53 2.815 19.535 -12.363 371 HG21 VAL 53 3HG2 VAL 53 0.770 17.819 -12.835 372 HG22 VAL 53 1HG2 VAL 53 1.524 17.086 -11.419 373 HG23 VAL 53 2HG2 VAL 53 -0.201 17.449 -11.411 374 H ARG 54 H ARG 54 0.455 16.779 -9.230 375 HA ARG 54 HA ARG 54 3.048 16.630 -7.893 376 HB2 ARG 54 1HB ARG 54 0.702 15.322 -6.566 377 HB3 ARG 54 2HB ARG 54 2.258 15.772 -5.881 378 HG2 ARG 54 1HG ARG 54 1.140 17.480 -4.981 379 HG3 ARG 54 2HG ARG 54 1.249 18.199 -6.589 380 HD2 ARG 54 1HD ARG 54 -1.024 16.446 -5.669 381 HD3 ARG 54 2HD ARG 54 -1.045 18.208 -5.598 382 HE ARG 54 HE ARG 54 -0.499 17.797 -8.174 383 HH11 ARG 54 1HH1 ARG 54 -2.872 16.343 -6.083 384 HH12 ARG 54 2HH1 ARG 54 -4.012 16.061 -7.356 385 HH21 ARG 54 1HH2 ARG 54 -1.992 17.432 -9.859 386 HH22 ARG 54 2HH2 ARG 54 -3.510 16.680 -9.504 387 H LEU 55 H LEU 55 3.142 14.115 -7.055 388 HA LEU 55 HA LEU 55 2.176 12.400 -9.225 389 HB2 LEU 55 1HB LEU 55 4.384 13.013 -9.919 390 HB3 LEU 55 2HB LEU 55 5.036 12.660 -8.320 391 HG LEU 55 HG LEU 55 4.089 10.233 -8.943 392 HD11 LEU 55 1HD1 LEU 55 4.760 9.847 -11.353 393 HD12 LEU 55 2HD1 LEU 55 4.667 11.595 -11.558 394 HD13 LEU 55 3HD1 LEU 55 3.231 10.685 -11.089 395 HD21 LEU 55 3HD2 LEU 55 6.734 11.368 -9.847 396 HD22 LEU 55 1HD2 LEU 55 6.368 9.658 -9.618 397 HD23 LEU 55 2HD2 LEU 55 6.362 10.754 -8.236 398 H TYR 56 H TYR 56 1.578 10.399 -8.587 399 HA TYR 56 HA TYR 56 1.979 9.739 -5.748 400 HB2 TYR 56 1HB TYR 56 -0.252 9.176 -7.674 401 HB3 TYR 56 2HB TYR 56 -0.019 8.143 -6.268 402 HD1 TYR 56 1HD TYR 56 0.223 11.843 -6.755 403 HD2 TYR 56 2HD TYR 56 -1.637 8.619 -4.693 404 HE1 TYR 56 1HE TYR 56 -1.022 13.453 -5.375 405 HE2 TYR 56 2HE TYR 56 -2.888 10.220 -3.307 406 HH TYR 56 HH TYR 56 -2.132 13.241 -2.852 407 H THR 57 H THR 57 3.191 8.042 -5.243 408 HA THR 57 HA THR 57 3.873 6.129 -7.376 409 HB THR 57 HB THR 57 5.460 6.686 -4.865 410 HG1 THR 57 1HG THR 57 5.922 8.468 -5.944 411 HG21 THR 57 3HG2 THR 57 7.216 5.441 -5.923 412 HG22 THR 57 1HG2 THR 57 6.290 5.305 -7.417 413 HG23 THR 57 2HG2 THR 57 5.753 4.457 -5.967 414 H VAL 58 H VAL 58 3.902 3.916 -6.932 415 HA VAL 58 HA VAL 58 2.713 3.083 -4.373 416 HB VAL 58 HB VAL 58 1.935 1.852 -7.013 417 HG11 VAL 58 1HG1 VAL 58 0.510 0.516 -5.844 418 HG12 VAL 58 2HG1 VAL 58 1.747 0.742 -4.607 419 HG13 VAL 58 3HG1 VAL 58 0.268 1.703 -4.563 420 HG21 VAL 58 3HG2 VAL 58 1.194 4.388 -6.110 421 HG22 VAL 58 1HG2 VAL 58 0.426 3.443 -7.385 422 HG23 VAL 58 2HG2 VAL 58 -0.174 3.342 -5.730 423 H ARG 59 H ARG 59 4.176 1.850 -3.400 424 HA ARG 59 HA ARG 59 5.789 0.013 -5.045 425 HB2 ARG 59 1HB ARG 59 7.530 0.160 -3.432 426 HB3 ARG 59 2HB ARG 59 7.001 1.808 -3.747 427 HG2 ARG 59 1HG ARG 59 5.836 1.923 -1.688 428 HG3 ARG 59 2HG ARG 59 6.015 0.189 -1.416 429 HD2 ARG 59 1HD ARG 59 7.571 1.503 -0.046 430 HD3 ARG 59 2HD ARG 59 8.414 0.447 -1.178 431 HE ARG 59 HE ARG 59 8.298 3.356 -1.254 432 HH11 ARG 59 1HH1 ARG 59 9.272 0.383 -2.780 433 HH12 ARG 59 2HH1 ARG 59 10.421 1.145 -3.830 434 HH21 ARG 59 1HH2 ARG 59 9.807 4.372 -2.631 435 HH22 ARG 59 2HH2 ARG 59 10.725 3.415 -3.743 436 H TRP 60 H TRP 60 6.191 -2.100 -4.246 437 HA TRP 60 HA TRP 60 4.682 -3.030 -1.949 438 HB2 TRP 60 1HB TRP 60 3.505 -4.783 -3.233 439 HB3 TRP 60 2HB TRP 60 3.008 -3.163 -3.713 440 HD1 TRP 60 HD TRP 60 4.738 -6.277 -5.033 441 HE1 TRP 60 1HE TRP 60 5.074 -6.037 -7.573 442 HE3 TRP 60 3HE TRP 60 3.387 -1.376 -5.570 443 HZ2 TRP 60 2HZ TRP 60 4.802 -4.035 -9.544 444 HZ3 TRP 60 3HZ TRP 60 3.454 -0.374 -7.817 445 HH2 TRP 60 HH TRP 60 4.147 -1.677 -9.761 446 H ARG 61 H ARG 61 5.742 -4.612 -0.923 447 HA ARG 61 HA ARG 61 7.679 -6.229 -2.421 448 HB2 ARG 61 1HB ARG 61 8.702 -4.221 -1.136 449 HB3 ARG 61 2HB ARG 61 8.364 -5.170 0.305 450 HG2 ARG 61 1HG ARG 61 9.831 -6.496 -1.904 451 HG3 ARG 61 2HG ARG 61 10.688 -5.287 -0.947 452 HD2 ARG 61 1HD ARG 61 9.119 -7.359 0.493 453 HD3 ARG 61 2HD ARG 61 10.638 -7.845 -0.260 454 HE ARG 61 HE ARG 61 10.302 -6.158 2.054 455 HH11 ARG 61 1HH1 ARG 61 12.420 -7.124 -0.534 456 HH12 ARG 61 2HH1 ARG 61 13.865 -6.645 0.293 457 HH21 ARG 61 1HH2 ARG 61 12.197 -5.522 3.154 458 HH22 ARG 61 2HH2 ARG 61 13.737 -5.734 2.392 459 H THR 62 H THR 62 7.862 -8.325 -1.759 460 HA THR 62 HA THR 62 5.840 -9.700 -0.639 461 HB THR 62 HB THR 62 7.603 -11.386 0.179 462 HG1 THR 62 1HG THR 62 9.243 -9.398 -1.029 463 HG21 THR 62 3HG2 THR 62 7.744 -12.273 -1.934 464 HG22 THR 62 1HG2 THR 62 8.082 -10.714 -2.686 465 HG23 THR 62 2HG2 THR 62 6.441 -11.110 -2.175 466 H SER 63 H SER 63 5.103 -10.296 1.358 467 HA SER 63 HA SER 63 6.066 -8.691 3.597 468 HB2 SER 63 1HB SER 63 3.527 -10.102 2.941 469 HB3 SER 63 2HB SER 63 3.941 -9.927 4.646 470 HG SER 63 HG SER 63 4.378 -7.593 3.790 471 H PHE 64 H PHE 64 7.357 -9.494 5.104 472 HA PHE 64 HA PHE 64 8.374 -10.948 6.538 473 HB2 PHE 64 1HB PHE 64 6.519 -13.133 5.617 474 HB3 PHE 64 2HB PHE 64 7.311 -12.955 7.179 475 HD1 PHE 64 2HD PHE 64 6.635 -10.810 8.528 476 HD2 PHE 64 1HD PHE 64 4.307 -12.547 5.417 477 HE1 PHE 64 2HE PHE 64 4.625 -9.707 9.421 478 HE2 PHE 64 1HE PHE 64 2.293 -11.446 6.305 479 HZ PHE 64 HZ PHE 64 2.451 -10.025 8.310 480 H SER 65 H SER 65 9.371 -10.531 3.955 481 HA SER 65 HA SER 65 10.563 -13.160 3.358 482 HB2 SER 65 1HB SER 65 9.583 -10.996 1.544 483 HB3 SER 65 2HB SER 65 10.968 -11.960 1.033 484 HG SER 65 HG SER 65 9.441 -13.264 0.374 485 H ALA 66 H ALA 66 12.745 -13.298 3.256 486 HA ALA 66 HA ALA 66 14.272 -11.099 4.311 487 HB1 ALA 66 3HB ALA 66 15.601 -12.725 5.025 488 HB2 ALA 66 1HB ALA 66 14.543 -13.895 4.237 489 HB3 ALA 66 2HB ALA 66 15.930 -13.234 3.369 490 H SER 67 H SER 67 15.016 -13.159 1.505 491 HA SER 67 HA SER 67 16.394 -10.960 0.231 492 HB2 SER 67 1HB SER 67 17.044 -13.493 0.233 493 HB3 SER 67 2HB SER 67 15.891 -13.606 -1.097 494 HG SER 67 HG SER 67 17.112 -12.134 -2.250 495 H ALA 68 H ALA 68 15.301 -9.484 -0.872 496 HA ALA 68 HA ALA 68 13.686 -10.109 -3.090 497 HB1 ALA 68 3HB ALA 68 12.082 -10.753 -1.321 498 HB2 ALA 68 1HB ALA 68 12.126 -9.097 -0.717 499 HB3 ALA 68 2HB ALA 68 11.501 -9.431 -2.332 500 H LYS 69 H LYS 69 12.686 -8.148 -4.058 501 HA LYS 69 HA LYS 69 14.132 -5.716 -3.230 502 HB2 LYS 69 1HB LYS 69 14.128 -5.060 -5.620 503 HB3 LYS 69 2HB LYS 69 15.036 -6.536 -5.318 504 HG2 LYS 69 1HG LYS 69 13.883 -7.174 -7.167 505 HG3 LYS 69 2HG LYS 69 12.726 -7.661 -5.926 506 HD2 LYS 69 1HD LYS 69 11.742 -5.297 -6.227 507 HD3 LYS 69 2HD LYS 69 12.661 -5.267 -7.734 508 HE2 LYS 69 1HE LYS 69 10.548 -6.043 -8.364 509 HE3 LYS 69 2HE LYS 69 11.528 -7.504 -8.250 510 HZ1 LYS 69 3HZ LYS 69 10.452 -7.104 -5.738 511 HZ2 LYS 69 1HZ LYS 69 10.013 -8.292 -6.861 512 HZ3 LYS 69 2HZ LYS 69 9.183 -6.819 -6.820 513 H TYR 70 H TYR 70 13.066 -3.707 -3.526 514 HA TYR 70 HA TYR 70 10.179 -3.917 -3.237 515 HB2 TYR 70 1HB TYR 70 12.253 -1.946 -2.511 516 HB3 TYR 70 2HB TYR 70 10.705 -1.260 -2.994 517 HD1 TYR 70 2HD TYR 70 12.392 -3.429 -0.541 518 HD2 TYR 70 1HD TYR 70 8.771 -1.462 -1.598 519 HE1 TYR 70 2HE TYR 70 11.500 -3.877 1.707 520 HE2 TYR 70 1HE TYR 70 7.869 -1.903 0.648 521 HH TYR 70 HH TYR 70 9.639 -3.864 2.986 522 H LYS 71 H LYS 71 8.874 -3.707 -4.917 523 HA LYS 71 HA LYS 71 9.836 -2.318 -7.314 524 HB2 LYS 71 1HB LYS 71 8.747 -4.750 -7.167 525 HB3 LYS 71 2HB LYS 71 7.263 -3.816 -7.306 526 HG2 LYS 71 1HG LYS 71 8.269 -2.745 -9.354 527 HG3 LYS 71 2HG LYS 71 9.543 -3.964 -9.257 528 HD2 LYS 71 1HD LYS 71 8.119 -5.688 -9.800 529 HD3 LYS 71 2HD LYS 71 6.693 -4.843 -9.193 530 HE2 LYS 71 1HE LYS 71 6.321 -4.638 -11.432 531 HE3 LYS 71 2HE LYS 71 7.286 -3.186 -11.171 532 HZ1 LYS 71 3HZ LYS 71 8.951 -5.424 -11.689 533 HZ2 LYS 71 1HZ LYS 71 8.844 -3.956 -12.524 534 HZ3 LYS 71 2HZ LYS 71 7.818 -5.237 -12.931 535 H SER 72 H SER 72 8.586 -0.739 -8.355 536 HA SER 72 HA SER 72 6.114 0.189 -7.230 537 HB2 SER 72 1HB SER 72 6.920 2.429 -6.595 538 HB3 SER 72 2HB SER 72 7.686 1.174 -5.622 539 HG SER 72 HG SER 72 8.832 3.001 -7.211 540 H GLU 73 H GLU 73 5.246 2.059 -8.417 541 HA GLU 73 HA GLU 73 6.535 2.612 -10.979 542 HB2 GLU 73 1HB GLU 73 3.894 1.244 -10.616 543 HB3 GLU 73 2HB GLU 73 4.150 2.289 -12.007 544 HG2 GLU 73 1HG GLU 73 5.455 -0.302 -11.323 545 HG3 GLU 73 2HG GLU 73 4.700 0.212 -12.831 546 H ASP 74 H ASP 74 5.778 4.508 -12.018 547 HA ASP 74 HA ASP 74 4.601 6.421 -10.153 548 HB2 ASP 74 1HB ASP 74 5.676 8.084 -11.320 549 HB3 ASP 74 2HB ASP 74 6.752 6.733 -11.666 550 H THR 75 H THR 75 2.547 7.022 -10.271 551 HA THR 75 HA THR 75 1.159 6.907 -12.852 552 HB THR 75 HB THR 75 0.653 4.828 -11.520 553 HG1 THR 75 1HG THR 75 -0.829 5.578 -13.074 554 HG21 THR 75 3HG2 THR 75 -1.245 6.251 -9.801 555 HG22 THR 75 1HG2 THR 75 0.446 6.538 -9.393 556 HG23 THR 75 2HG2 THR 75 -0.184 4.891 -9.435 557 H THR 76 H THR 76 -0.540 8.371 -13.091 558 HA THR 76 HA THR 76 -0.525 10.552 -11.128 559 HB THR 76 HB THR 76 -1.554 11.920 -12.920 560 HG1 THR 76 1HG THR 76 -2.127 11.039 -14.784 561 HG21 THR 76 3HG2 THR 76 0.452 12.414 -13.873 562 HG22 THR 76 1HG2 THR 76 0.808 10.731 -14.258 563 HG23 THR 76 2HG2 THR 76 1.039 11.328 -12.614 564 H SER 77 H SER 77 -2.105 7.959 -11.042 565 HA SER 77 HA SER 77 -4.780 9.175 -10.804 566 HB2 SER 77 1HB SER 77 -5.654 6.828 -11.131 567 HB3 SER 77 2HB SER 77 -4.870 7.530 -12.546 568 HG SER 77 HG SER 77 -2.925 6.396 -11.746 569 H LEU 78 H LEU 78 -6.172 7.641 -9.283 570 HA LEU 78 HA LEU 78 -4.660 7.474 -6.774 571 HB2 LEU 78 1HB LEU 78 -7.610 7.703 -7.331 572 HB3 LEU 78 2HB LEU 78 -6.934 7.453 -5.722 573 HG LEU 78 HG LEU 78 -6.398 9.854 -7.470 574 HD11 LEU 78 1HD1 LEU 78 -8.604 10.150 -6.866 575 HD12 LEU 78 2HD1 LEU 78 -7.754 10.938 -5.537 576 HD13 LEU 78 3HD1 LEU 78 -8.407 9.313 -5.326 577 HD21 LEU 78 3HD2 LEU 78 -5.703 9.273 -4.592 578 HD22 LEU 78 1HD2 LEU 78 -5.435 10.803 -5.427 579 HD23 LEU 78 2HD2 LEU 78 -4.570 9.355 -5.943 580 H SER 79 H SER 79 -5.047 5.431 -9.071 581 HA SER 79 HA SER 79 -5.326 3.147 -7.299 582 HB2 SER 79 1HB SER 79 -6.962 2.021 -8.785 583 HB3 SER 79 2HB SER 79 -7.626 3.475 -8.041 584 HG SER 79 HG SER 79 -6.782 3.074 -10.703 585 H TYR 80 H TYR 80 -4.095 1.438 -7.915 586 HA TYR 80 HA TYR 80 -2.942 1.439 -10.610 587 HB2 TYR 80 1HB TYR 80 -1.260 2.537 -9.291 588 HB3 TYR 80 2HB TYR 80 -1.382 1.321 -8.025 589 HD1 TYR 80 2HD TYR 80 -0.489 -0.959 -8.411 590 HD2 TYR 80 1HD TYR 80 0.083 2.174 -11.233 591 HE1 TYR 80 2HE TYR 80 1.313 -2.253 -9.473 592 HE2 TYR 80 1HE TYR 80 1.886 0.888 -12.304 593 HH TYR 80 HH TYR 80 3.531 -0.976 -11.524 594 H THR 81 H THR 81 -2.523 -0.563 -11.451 595 HA THR 81 HA THR 81 -3.512 -2.833 -9.874 596 HB THR 81 HB THR 81 -2.989 -2.892 -12.837 597 HG1 THR 81 1HG THR 81 -5.212 -2.298 -13.071 598 HG21 THR 81 3HG2 THR 81 -5.201 -4.411 -12.283 599 HG22 THR 81 1HG2 THR 81 -4.217 -4.645 -10.839 600 HG23 THR 81 2HG2 THR 81 -3.555 -5.028 -12.428 601 H ALA 82 H ALA 82 -2.013 -4.046 -8.937 602 HA ALA 82 HA ALA 82 0.707 -4.089 -9.956 603 HB1 ALA 82 3HB ALA 82 0.245 -3.846 -7.533 604 HB2 ALA 82 1HB ALA 82 -0.421 -5.479 -7.531 605 HB3 ALA 82 2HB ALA 82 1.282 -5.221 -7.912 606 H THR 83 H THR 83 0.822 -5.340 -11.756 607 HA THR 83 HA THR 83 -0.315 -8.044 -11.654 608 HB THR 83 HB THR 83 -0.027 -8.131 -14.061 609 HG1 THR 83 1HG THR 83 1.529 -6.938 -14.849 610 HG21 THR 83 3HG2 THR 83 -2.051 -7.177 -14.017 611 HG22 THR 83 1HG2 THR 83 -1.233 -5.665 -14.407 612 HG23 THR 83 2HG2 THR 83 -1.586 -6.070 -12.727 613 H GLY 84 H GLY 84 0.950 -9.862 -12.298 614 HA2 GLY 84 1HA GLY 84 2.896 -11.088 -12.589 615 HA3 GLY 84 2HA GLY 84 3.795 -9.579 -12.666 616 H LEU 85 H LEU 85 1.741 -11.039 -10.147 617 HA LEU 85 HA LEU 85 4.006 -10.739 -8.287 618 HB2 LEU 85 1HB LEU 85 1.222 -10.985 -7.285 619 HB3 LEU 85 2HB LEU 85 2.592 -10.106 -6.608 620 HG LEU 85 HG LEU 85 1.216 -9.162 -9.103 621 HD11 LEU 85 1HD1 LEU 85 -0.627 -8.667 -7.978 622 HD12 LEU 85 2HD1 LEU 85 0.328 -7.638 -6.912 623 HD13 LEU 85 3HD1 LEU 85 0.058 -9.330 -6.494 624 HD21 LEU 85 3HD2 LEU 85 2.396 -7.247 -8.821 625 HD22 LEU 85 1HD2 LEU 85 3.506 -8.345 -8.000 626 HD23 LEU 85 2HD2 LEU 85 2.382 -7.365 -7.060 627 H LYS 86 H LYS 86 3.961 -12.296 -6.436 628 HA LYS 86 HA LYS 86 3.790 -14.968 -7.454 629 HB2 LYS 86 1HB LYS 86 5.497 -14.013 -5.777 630 HB3 LYS 86 2HB LYS 86 4.239 -14.238 -4.568 631 HG2 LYS 86 1HG LYS 86 4.258 -16.570 -4.824 632 HG3 LYS 86 2HG LYS 86 5.158 -16.479 -6.340 633 HD2 LYS 86 1HD LYS 86 6.815 -17.099 -4.862 634 HD3 LYS 86 2HD LYS 86 6.981 -15.342 -4.850 635 HE2 LYS 86 1HE LYS 86 5.700 -15.200 -2.805 636 HE3 LYS 86 2HE LYS 86 5.388 -16.934 -2.844 637 HZ1 LYS 86 3HZ LYS 86 7.526 -15.628 -1.656 638 HZ2 LYS 86 1HZ LYS 86 8.165 -16.462 -2.982 639 HZ3 LYS 86 2HZ LYS 86 7.290 -17.297 -1.799 640 HA PRO 87 HA PRO 87 -0.384 -15.788 -6.242 641 HB2 PRO 87 1HB PRO 87 -0.304 -18.487 -6.525 642 HB3 PRO 87 2HB PRO 87 -0.380 -17.378 -7.900 643 HG2 PRO 87 1HG PRO 87 1.989 -18.783 -6.728 644 HG3 PRO 87 2HG PRO 87 1.555 -18.552 -8.432 645 HD2 PRO 87 1HD PRO 87 3.409 -17.025 -7.181 646 HD3 PRO 87 2HD PRO 87 2.372 -16.398 -8.479 647 H ASN 88 H ASN 88 -1.562 -16.759 -4.536 648 HA ASN 88 HA ASN 88 -1.865 -17.171 -2.308 649 HB2 ASN 88 1HB ASN 88 -0.919 -19.283 -1.538 650 HB3 ASN 88 2HB ASN 88 -1.469 -19.441 -3.204 651 HD21 ASN 88 1HD2 ASN 88 -0.035 -19.927 -4.777 652 HD22 ASN 88 2HD2 ASN 88 1.642 -20.235 -4.496 653 H THR 89 H THR 89 -0.097 -15.049 -2.748 654 HA THR 89 HA THR 89 1.493 -15.208 -0.300 655 HB THR 89 HB THR 89 2.642 -14.209 -2.913 656 HG1 THR 89 1HG THR 89 2.456 -16.604 -2.429 657 HG21 THR 89 3HG2 THR 89 3.346 -13.021 -0.795 658 HG22 THR 89 1HG2 THR 89 4.650 -13.761 -1.722 659 HG23 THR 89 2HG2 THR 89 4.043 -14.552 -0.267 660 H MET 90 H MET 90 1.496 -13.356 0.863 661 HA MET 90 HA MET 90 0.063 -11.066 -0.298 662 HB2 MET 90 1HB MET 90 -1.044 -11.983 1.646 663 HB3 MET 90 2HB MET 90 0.444 -11.905 2.579 664 HG2 MET 90 1HG MET 90 0.403 -9.466 2.439 665 HG3 MET 90 2HG MET 90 -1.091 -9.549 1.509 666 HE1 MET 90 3HE MET 90 0.107 -11.687 4.538 667 HE2 MET 90 1HE MET 90 0.564 -10.069 5.069 668 HE3 MET 90 2HE MET 90 -0.732 -10.934 5.895 669 H TYR 91 H TYR 91 0.816 -8.939 0.097 670 HA TYR 91 HA TYR 91 3.560 -8.694 1.095 671 HB2 TYR 91 1HB TYR 91 3.066 -7.007 -1.238 672 HB3 TYR 91 2HB TYR 91 4.452 -8.023 -0.859 673 HD1 TYR 91 1HD TYR 91 3.798 -10.670 -0.993 674 HD2 TYR 91 2HD TYR 91 1.972 -7.519 -3.193 675 HE1 TYR 91 1HE TYR 91 3.087 -12.286 -2.705 676 HE2 TYR 91 2HE TYR 91 1.254 -9.127 -4.911 677 HH TYR 91 HH TYR 91 2.407 -11.774 -5.548 678 H GLU 92 H GLU 92 4.107 -6.145 0.866 679 HA GLU 92 HA GLU 92 1.946 -4.821 2.343 680 HB2 GLU 92 1HB GLU 92 3.750 -4.587 3.718 681 HB3 GLU 92 2HB GLU 92 4.904 -4.663 2.395 682 HG2 GLU 92 1HG GLU 92 4.629 -2.397 1.874 683 HG3 GLU 92 2HG GLU 92 3.149 -2.272 2.823 684 H PHE 93 H PHE 93 0.870 -3.156 1.502 685 HA PHE 93 HA PHE 93 1.965 -1.874 -0.916 686 HB2 PHE 93 1HB PHE 93 -0.902 -2.550 -0.242 687 HB3 PHE 93 2HB PHE 93 -0.438 -1.496 -1.574 688 HD1 PHE 93 2HD PHE 93 -0.181 -4.939 -0.264 689 HD2 PHE 93 1HD PHE 93 0.292 -2.377 -3.630 690 HE1 PHE 93 2HE PHE 93 0.087 -6.905 -1.719 691 HE2 PHE 93 1HE PHE 93 0.561 -4.339 -5.090 692 HZ PHE 93 HZ PHE 93 0.460 -6.606 -4.135 693 H SER 94 H SER 94 1.838 0.333 -1.085 694 HA SER 94 HA SER 94 0.387 1.886 0.877 695 HB2 SER 94 1HB SER 94 2.344 3.084 1.720 696 HB3 SER 94 2HB SER 94 2.499 1.360 2.054 697 HG SER 94 HG SER 94 4.394 2.492 1.133 698 H VAL 95 H VAL 95 1.139 4.338 0.529 699 HA VAL 95 HA VAL 95 1.695 4.875 -2.283 700 HB VAL 95 HB VAL 95 -0.785 5.974 -0.955 701 HG11 VAL 95 1HG1 VAL 95 0.117 7.517 -2.554 702 HG12 VAL 95 2HG1 VAL 95 0.317 6.234 -3.749 703 HG13 VAL 95 3HG1 VAL 95 -1.300 6.745 -3.265 704 HG21 VAL 95 3HG2 VAL 95 -0.880 3.521 -1.499 705 HG22 VAL 95 1HG2 VAL 95 -2.084 4.518 -2.316 706 HG23 VAL 95 2HG2 VAL 95 -0.659 3.961 -3.193 707 H MET 96 H MET 96 2.198 7.110 -2.712 708 HA MET 96 HA MET 96 2.553 8.866 -0.422 709 HB2 MET 96 1HB MET 96 4.969 9.268 -1.114 710 HB3 MET 96 2HB MET 96 4.633 7.756 -0.282 711 HG2 MET 96 1HG MET 96 4.918 6.487 -2.193 712 HG3 MET 96 2HG MET 96 4.643 7.858 -3.264 713 HE1 MET 96 3HE MET 96 7.794 9.776 -3.430 714 HE2 MET 96 1HE MET 96 6.036 9.862 -3.302 715 HE3 MET 96 2HE MET 96 7.037 10.103 -1.870 716 H VAL 97 H VAL 97 3.925 10.897 -1.392 717 HA VAL 97 HA VAL 97 3.016 11.536 -4.085 718 HB VAL 97 HB VAL 97 1.115 12.292 -2.866 719 HG11 VAL 97 1HG1 VAL 97 3.122 13.043 -0.864 720 HG12 VAL 97 2HG1 VAL 97 1.814 14.209 -1.070 721 HG13 VAL 97 3HG1 VAL 97 1.447 12.534 -0.659 722 HG21 VAL 97 3HG2 VAL 97 2.333 13.856 -4.548 723 HG22 VAL 97 1HG2 VAL 97 1.010 14.492 -3.572 724 HG23 VAL 97 2HG2 VAL 97 2.681 14.828 -3.119 725 H THR 98 H THR 98 4.176 13.186 -5.072 726 HA THR 98 HA THR 98 6.475 14.213 -3.537 727 HB THR 98 HB THR 98 6.402 13.374 -6.440 728 HG1 THR 98 1HG THR 98 6.662 11.685 -4.865 729 HG21 THR 98 3HG2 THR 98 9.025 13.873 -5.804 730 HG22 THR 98 1HG2 THR 98 8.179 15.186 -4.986 731 HG23 THR 98 2HG2 THR 98 7.975 14.952 -6.723 732 H LYS 99 H LYS 99 5.778 16.243 -3.075 733 HA LYS 99 HA LYS 99 5.115 17.963 -5.375 734 HB2 LYS 99 1HB LYS 99 3.219 17.455 -3.729 735 HB3 LYS 99 2HB LYS 99 4.111 18.437 -2.573 736 HG2 LYS 99 1HG LYS 99 4.068 20.193 -4.528 737 HG3 LYS 99 2HG LYS 99 2.669 19.248 -5.043 738 HD2 LYS 99 1HD LYS 99 2.949 20.250 -2.225 739 HD3 LYS 99 2HD LYS 99 2.251 21.250 -3.501 740 HE2 LYS 99 1HE LYS 99 0.367 20.261 -2.633 741 HE3 LYS 99 2HE LYS 99 0.769 19.140 -3.933 742 HZ1 LYS 99 3HZ LYS 99 2.053 17.886 -2.143 743 HZ2 LYS 99 1HZ LYS 99 0.364 17.787 -2.103 744 HZ3 LYS 99 2HZ LYS 99 1.177 18.807 -1.027 745 H ASN 100 H ASN 100 5.878 20.116 -5.305 746 HA ASN 100 HA ASN 100 7.393 21.763 -4.900 747 HB2 ASN 100 1HB ASN 100 6.911 20.621 -2.195 748 HB3 ASN 100 2HB ASN 100 8.307 21.677 -2.387 749 HD21 ASN 100 1HD2 ASN 100 4.890 21.555 -3.341 750 HD22 ASN 100 2HD2 ASN 100 4.560 23.215 -2.992 751 H ARG 101 H ARG 101 8.287 19.301 -6.010 752 HA ARG 101 HA ARG 101 10.209 18.229 -6.585 753 HB2 ARG 101 1HB ARG 101 11.477 20.604 -5.210 754 HB3 ARG 101 2HB ARG 101 12.342 19.440 -6.205 755 HG2 ARG 101 1HG ARG 101 10.551 20.123 -7.998 756 HG3 ARG 101 2HG ARG 101 10.437 21.577 -7.004 757 HD2 ARG 101 1HD ARG 101 12.925 21.790 -7.188 758 HD3 ARG 101 2HD ARG 101 12.891 20.465 -8.351 759 HE ARG 101 HE ARG 101 11.137 22.642 -9.022 760 HH11 ARG 101 1HH1 ARG 101 14.379 21.395 -9.261 761 HH12 ARG 101 2HH1 ARG 101 14.765 22.308 -10.682 762 HH21 ARG 101 1HH2 ARG 101 11.633 23.849 -10.892 763 HH22 ARG 101 2HH2 ARG 101 13.203 23.704 -11.608 764 H ARG 102 H ARG 102 8.912 17.753 -3.953 765 HA ARG 102 HA ARG 102 11.140 16.293 -2.740 766 HB2 ARG 102 1HB ARG 102 10.566 16.982 -0.508 767 HB3 ARG 102 2HB ARG 102 10.827 18.422 -1.483 768 HG2 ARG 102 1HG ARG 102 8.621 19.028 -1.434 769 HG3 ARG 102 2HG ARG 102 8.059 17.370 -1.204 770 HD2 ARG 102 1HD ARG 102 8.466 17.405 1.065 771 HD3 ARG 102 2HD ARG 102 9.683 18.673 0.932 772 HE ARG 102 HE ARG 102 6.930 19.040 1.425 773 HH11 ARG 102 1HH1 ARG 102 9.574 20.408 -0.380 774 HH12 ARG 102 2HH1 ARG 102 8.916 22.011 -0.379 775 HH21 ARG 102 1HH2 ARG 102 6.053 21.146 1.433 776 HH22 ARG 102 2HH2 ARG 102 6.914 22.430 0.654 777 H SER 103 H SER 103 10.555 14.391 -1.677 778 HA SER 103 HA SER 103 7.848 13.449 -2.316 779 HB2 SER 103 1HB SER 103 8.747 11.199 -2.203 780 HB3 SER 103 2HB SER 103 9.781 12.174 -3.247 781 HG SER 103 HG SER 103 11.356 11.707 -1.956 782 H SER 104 H SER 104 6.434 12.957 -0.761 783 HA SER 104 HA SER 104 7.192 13.413 1.998 784 HB2 SER 104 1HB SER 104 4.891 13.525 2.475 785 HB3 SER 104 2HB SER 104 5.015 14.206 0.853 786 HG SER 104 HG SER 104 4.326 11.521 1.469 787 H THR 105 H THR 105 5.744 11.803 3.515 788 HA THR 105 HA THR 105 7.098 9.271 3.259 789 HB THR 105 HB THR 105 6.805 10.397 5.461 790 HG1 THR 105 1HG THR 105 5.472 7.889 5.440 791 HG21 THR 105 3HG2 THR 105 4.689 10.413 6.573 792 HG22 THR 105 1HG2 THR 105 3.929 9.510 5.264 793 HG23 THR 105 2HG2 THR 105 4.461 11.171 4.997 794 H TRP 106 H TRP 106 5.923 7.206 3.537 795 HA TRP 106 HA TRP 106 3.724 7.080 1.664 796 HB2 TRP 106 1HB TRP 106 5.207 4.922 3.178 797 HB3 TRP 106 2HB TRP 106 3.936 4.612 1.998 798 HD1 TRP 106 HD TRP 106 7.503 6.076 2.191 799 HE1 TRP 106 1HE TRP 106 8.597 5.832 -0.126 800 HE3 TRP 106 3HE TRP 106 3.488 4.282 -0.416 801 HZ2 TRP 106 2HZ TRP 106 7.856 4.991 -2.716 802 HZ3 TRP 106 3HZ TRP 106 3.764 3.783 -2.810 803 HH2 TRP 106 HH TRP 106 5.903 4.131 -3.934 804 H SER 107 H SER 107 1.661 6.259 2.090 805 HA SER 107 HA SER 107 0.626 6.920 4.676 806 HB2 SER 107 1HB SER 107 -1.551 6.236 3.728 807 HB3 SER 107 2HB SER 107 -0.692 7.343 2.658 808 HG SER 107 HG SER 107 -0.612 4.522 2.393 809 H MET 108 H MET 108 -1.240 5.153 5.351 810 HA MET 108 HA MET 108 0.097 3.172 6.749 811 HB2 MET 108 1HB MET 108 -2.120 2.155 7.119 812 HB3 MET 108 2HB MET 108 -2.139 3.897 7.362 813 HG2 MET 108 1HG MET 108 -4.093 3.452 6.182 814 HG3 MET 108 2HG MET 108 -2.973 4.054 4.962 815 HE1 MET 108 3HE MET 108 -4.694 0.011 5.718 816 HE2 MET 108 1HE MET 108 -5.076 1.597 6.388 817 HE3 MET 108 2HE MET 108 -5.729 1.122 4.821 818 H THR 109 H THR 109 0.133 0.873 6.518 819 HA THR 109 HA THR 109 0.528 0.057 3.756 820 HB THR 109 HB THR 109 1.092 -1.382 6.354 821 HG1 THR 109 1HG THR 109 3.316 -1.033 5.356 822 HG21 THR 109 3HG2 THR 109 2.518 -2.788 4.641 823 HG22 THR 109 1HG2 THR 109 1.279 -2.252 3.508 824 HG23 THR 109 2HG2 THR 109 0.824 -3.175 4.940 825 H ALA 110 H ALA 110 -0.883 -1.098 2.615 826 HA ALA 110 HA ALA 110 -3.215 -2.219 4.003 827 HB1 ALA 110 3HB ALA 110 -4.391 -2.081 1.941 828 HB2 ALA 110 1HB ALA 110 -3.537 -0.553 2.154 829 HB3 ALA 110 2HB ALA 110 -2.906 -1.769 1.042 830 H HIS 111 H HIS 111 -3.134 -4.316 4.437 831 HA HIS 111 HA HIS 111 -1.394 -6.075 2.916 832 HB2 HIS 111 1HB HIS 111 -2.956 -6.329 5.463 833 HB3 HIS 111 2HB HIS 111 -2.383 -7.777 4.641 834 HD1 HIS 111 1HD HIS 111 0.361 -6.321 3.737 835 HD2 HIS 111 2HD HIS 111 -1.170 -6.672 7.583 836 HE1 HIS 111 1HE HIS 111 2.340 -6.096 5.271 837 HE2 HIS 111 2HE HIS 111 1.402 -6.397 7.589 838 H ALA 112 H ALA 112 -2.038 -7.701 1.582 839 HA ALA 112 HA ALA 112 -4.745 -8.603 1.414 840 HB1 ALA 112 3HB ALA 112 -5.547 -7.527 -0.407 841 HB2 ALA 112 1HB ALA 112 -4.444 -6.266 0.142 842 HB3 ALA 112 2HB ALA 112 -3.956 -7.364 -1.150 843 H THR 113 H THR 113 -4.347 -10.703 1.187 844 HA THR 113 HA THR 113 -2.027 -11.678 -0.210 845 HB THR 113 HB THR 113 -4.283 -13.445 0.681 846 HG1 THR 113 1HG THR 113 -3.806 -13.125 2.745 847 HG21 THR 113 3HG2 THR 113 -1.294 -13.702 0.438 848 HG22 THR 113 1HG2 THR 113 -2.543 -14.628 -0.393 849 HG23 THR 113 2HG2 THR 113 -2.270 -14.865 1.334 850 H THR 114 H THR 114 -2.025 -13.027 -2.048 851 HA THR 114 HA THR 114 -4.132 -12.384 -3.947 852 HB THR 114 HB THR 114 -2.592 -13.646 -5.559 853 HG1 THR 114 1HG THR 114 -0.524 -14.052 -4.838 854 HG21 THR 114 3HG2 THR 114 -1.300 -11.271 -4.236 855 HG22 THR 114 1HG2 THR 114 -2.756 -11.126 -5.220 856 HG23 THR 114 2HG2 THR 114 -1.263 -11.731 -5.938 857 H TYR 115 H TYR 115 -5.019 -14.067 -5.362 858 HA TYR 115 HA TYR 115 -6.071 -16.230 -3.845 859 HB2 TYR 115 1HB TYR 115 -6.199 -15.776 -6.833 860 HB3 TYR 115 2HB TYR 115 -7.228 -16.858 -5.901 861 HD1 TYR 115 2HD TYR 115 -9.003 -15.975 -4.486 862 HD2 TYR 115 1HD TYR 115 -6.537 -13.375 -6.780 863 HE1 TYR 115 2HE TYR 115 -10.609 -14.146 -4.129 864 HE2 TYR 115 1HE TYR 115 -8.135 -11.539 -6.429 865 HH TYR 115 HH TYR 115 -11.259 -12.036 -5.179 866 H GLU 116 H GLU 116 -5.741 -18.446 -4.074 867 HA GLU 116 HA GLU 116 -3.070 -19.241 -4.606 868 HB2 GLU 116 1HB GLU 116 -4.972 -20.274 -3.061 869 HB3 GLU 116 2HB GLU 116 -5.253 -21.265 -4.485 870 HG2 GLU 116 1HG GLU 116 -2.846 -21.898 -4.435 871 HG3 GLU 116 2HG GLU 116 -2.706 -21.038 -2.903 872 H ALA 117 H ALA 117 -2.217 -19.448 -6.560 873 HA ALA 117 HA ALA 117 -3.607 -19.535 -8.968 874 HB1 ALA 117 3HB ALA 117 -0.872 -19.674 -8.122 875 HB2 ALA 117 1HB ALA 117 -1.162 -20.839 -9.415 876 HB3 ALA 117 2HB ALA 117 -1.539 -19.134 -9.663 877 H SER 118 H SER 118 -3.155 -21.424 -10.606 878 HA SER 118 HA SER 118 -4.812 -23.534 -9.985 879 HB2 SER 118 1HB SER 118 -4.198 -24.482 -12.030 880 HB3 SER 118 2HB SER 118 -3.810 -22.778 -12.269 881 HG SER 118 HG SER 118 -1.632 -23.323 -11.673 882 H GLY 119 H GLY 119 -4.509 -25.685 -9.372 883 HA2 GLY 119 1HA GLY 119 -1.847 -26.387 -8.330 884 HA3 GLY 119 2HA GLY 119 -3.252 -26.519 -7.284 885 HA PRO 120 HA PRO 120 -2.492 -30.509 -9.678 886 HB2 PRO 120 1HB PRO 120 -1.960 -32.074 -7.524 887 HB3 PRO 120 2HB PRO 120 -0.706 -31.190 -8.402 888 HG2 PRO 120 1HG PRO 120 -2.091 -30.475 -5.846 889 HG3 PRO 120 2HG PRO 120 -0.371 -30.348 -6.261 890 HD2 PRO 120 1HD PRO 120 -2.042 -28.218 -6.309 891 HD3 PRO 120 2HD PRO 120 -0.666 -28.378 -7.420 892 H SER 121 H SER 121 -4.647 -29.135 -7.613 893 HA SER 121 HA SER 121 -6.239 -30.874 -6.386 894 HB2 SER 121 1HB SER 121 -7.293 -28.870 -8.397 895 HB3 SER 121 2HB SER 121 -8.191 -29.557 -7.043 896 HG SER 121 HG SER 121 -5.868 -28.482 -6.196 897 H SER 122 H SER 122 -7.121 -32.780 -6.801 898 HA SER 122 HA SER 122 -6.871 -34.351 -8.939 899 HB2 SER 122 1HB SER 122 -8.166 -34.757 -6.713 900 HB3 SER 122 2HB SER 122 -9.584 -34.283 -7.649 901 HG SER 122 HG SER 122 -9.233 -35.992 -9.024 902 H GLY 123 H GLY 123 -7.608 -34.565 -10.980 903 HA2 GLY 123 1HA GLY 123 -9.611 -32.589 -11.883 904 HA3 GLY 123 2HA GLY 123 -8.262 -33.131 -12.870 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.282 14.723 -8.025 2 HA2 GLY 1 1HA GLY 1 -21.070 13.966 -7.626 3 HA3 GLY 1 2HA GLY 1 -20.857 15.303 -8.746 4 H SER 2 H SER 2 -21.186 17.509 -7.258 5 HA SER 2 HA SER 2 -18.769 17.561 -5.718 6 HB2 SER 2 1HB SER 2 -19.583 19.451 -7.171 7 HB3 SER 2 2HB SER 2 -20.839 19.752 -5.970 8 HG SER 2 HG SER 2 -18.504 20.787 -5.938 9 H SER 3 H SER 3 -18.771 18.696 -3.536 10 HA SER 3 HA SER 3 -19.160 18.312 -1.305 11 HB2 SER 3 1HB SER 3 -21.295 19.230 -0.553 12 HB3 SER 3 2HB SER 3 -20.639 20.222 -1.855 13 HG SER 3 HG SER 3 -22.351 18.140 -2.561 14 H GLY 4 H GLY 4 -19.149 15.895 -2.627 15 HA2 GLY 4 1HA GLY 4 -21.171 14.413 -1.080 16 HA3 GLY 4 2HA GLY 4 -20.915 14.035 -2.777 17 H SER 5 H SER 5 -18.944 14.497 0.161 18 HA SER 5 HA SER 5 -16.936 12.671 -0.738 19 HB2 SER 5 1HB SER 5 -17.431 14.260 1.738 20 HB3 SER 5 2HB SER 5 -16.322 12.892 1.842 21 HG SER 5 HG SER 5 -15.466 15.073 1.219 22 H SER 6 H SER 6 -16.340 10.681 0.312 23 HA SER 6 HA SER 6 -18.442 9.355 1.852 24 HB2 SER 6 1HB SER 6 -18.518 7.429 0.410 25 HB3 SER 6 2HB SER 6 -18.806 8.855 -0.587 26 HG SER 6 HG SER 6 -16.956 7.014 -0.918 27 H GLY 7 H GLY 7 -17.464 8.658 3.629 28 HA2 GLY 7 1HA GLY 7 -16.023 7.019 4.644 29 HA3 GLY 7 2HA GLY 7 -14.869 7.292 3.346 30 H PHE 8 H PHE 8 -14.736 7.461 6.372 31 HA PHE 8 HA PHE 8 -13.536 10.148 6.484 32 HB2 PHE 8 1HB PHE 8 -15.669 9.905 7.823 33 HB3 PHE 8 2HB PHE 8 -14.813 8.744 8.833 34 HD1 PHE 8 1HD PHE 8 -14.655 12.248 7.612 35 HD2 PHE 8 2HD PHE 8 -13.559 9.470 10.645 36 HE1 PHE 8 1HE PHE 8 -13.781 14.094 8.983 37 HE2 PHE 8 2HE PHE 8 -12.684 11.312 12.021 38 HZ PHE 8 HZ PHE 8 -12.795 13.628 11.191 39 HA PRO 9 HA PRO 9 -9.823 7.990 7.501 40 HB2 PRO 9 1HB PRO 9 -8.414 10.099 8.467 41 HB3 PRO 9 2HB PRO 9 -8.721 9.858 6.743 42 HG2 PRO 9 1HG PRO 9 -10.135 11.641 8.688 43 HG3 PRO 9 2HG PRO 9 -9.627 11.981 7.023 44 HD2 PRO 9 1HD PRO 9 -12.178 11.340 7.666 45 HD3 PRO 9 2HD PRO 9 -11.443 10.892 6.113 46 H THR 10 H THR 10 -9.261 6.811 9.219 47 HA THR 10 HA THR 10 -10.519 7.128 11.732 48 HB THR 10 HB THR 10 -8.903 5.359 12.502 49 HG1 THR 10 1HG THR 10 -7.139 5.706 11.196 50 HG21 THR 10 3HG2 THR 10 -9.965 3.614 11.315 51 HG22 THR 10 1HG2 THR 10 -10.196 4.620 9.886 52 HG23 THR 10 2HG2 THR 10 -11.131 4.936 11.347 53 H SER 11 H SER 11 -7.499 8.254 10.425 54 HA SER 11 HA SER 11 -6.893 9.508 13.021 55 HB2 SER 11 1HB SER 11 -5.273 7.731 12.620 56 HB3 SER 11 2HB SER 11 -4.920 8.381 11.020 57 HG SER 11 HG SER 11 -4.646 10.136 13.150 58 H VAL 12 H VAL 12 -6.930 11.646 12.940 59 HA VAL 12 HA VAL 12 -7.427 13.150 10.661 60 HB VAL 12 HB VAL 12 -6.376 15.065 12.145 61 HG11 VAL 12 1HG1 VAL 12 -8.900 13.566 12.836 62 HG12 VAL 12 2HG1 VAL 12 -8.513 15.198 13.384 63 HG13 VAL 12 3HG1 VAL 12 -8.733 14.873 11.664 64 HG21 VAL 12 3HG2 VAL 12 -7.094 13.469 14.477 65 HG22 VAL 12 1HG2 VAL 12 -5.643 12.892 13.657 66 HG23 VAL 12 2HG2 VAL 12 -5.730 14.559 14.226 67 HA PRO 13 HA PRO 13 -3.406 13.054 8.738 68 HB2 PRO 13 1HB PRO 13 -4.078 14.623 6.627 69 HB3 PRO 13 2HB PRO 13 -4.535 12.919 6.741 70 HG2 PRO 13 1HG PRO 13 -6.159 15.361 7.344 71 HG3 PRO 13 2HG PRO 13 -6.634 13.886 6.483 72 HD2 PRO 13 1HD PRO 13 -7.285 14.334 9.072 73 HD3 PRO 13 2HD PRO 13 -6.978 12.706 8.433 74 H ASP 14 H ASP 14 -1.991 14.216 9.948 75 HA ASP 14 HA ASP 14 -1.798 17.065 9.384 76 HB2 ASP 14 1HB ASP 14 -3.147 16.510 11.591 77 HB3 ASP 14 2HB ASP 14 -1.531 16.283 12.255 78 H LEU 15 H LEU 15 0.208 17.305 8.671 79 HA LEU 15 HA LEU 15 2.405 16.102 10.188 80 HB2 LEU 15 1HB LEU 15 1.787 15.711 7.299 81 HB3 LEU 15 2HB LEU 15 3.472 15.780 7.810 82 HG LEU 15 HG LEU 15 2.624 13.939 9.531 83 HD11 LEU 15 1HD1 LEU 15 0.349 13.826 8.968 84 HD12 LEU 15 2HD1 LEU 15 1.079 12.411 8.212 85 HD13 LEU 15 3HD1 LEU 15 0.688 13.828 7.237 86 HD21 LEU 15 3HD2 LEU 15 4.455 13.567 8.052 87 HD22 LEU 15 1HD2 LEU 15 3.390 13.529 6.647 88 HD23 LEU 15 2HD2 LEU 15 3.325 12.230 7.838 89 H SER 16 H SER 16 4.413 17.189 9.980 90 HA SER 16 HA SER 16 4.134 20.016 9.582 91 HB2 SER 16 1HB SER 16 6.319 18.199 10.520 92 HB3 SER 16 2HB SER 16 6.731 19.840 10.024 93 HG SER 16 HG SER 16 5.470 18.967 12.279 94 H THR 17 H THR 17 5.942 17.418 7.980 95 HA THR 17 HA THR 17 7.428 18.744 6.144 96 HB THR 17 HB THR 17 7.043 16.856 4.565 97 HG1 THR 17 1HG THR 17 5.425 15.603 6.487 98 HG21 THR 17 3HG2 THR 17 7.599 16.295 7.466 99 HG22 THR 17 1HG2 THR 17 8.747 16.472 6.140 100 HG23 THR 17 2HG2 THR 17 7.725 15.038 6.235 101 HA PRO 18 HA PRO 18 4.779 21.093 3.536 102 HB2 PRO 18 1HB PRO 18 6.280 21.149 1.274 103 HB3 PRO 18 2HB PRO 18 6.688 22.079 2.721 104 HG2 PRO 18 1HG PRO 18 7.793 19.462 1.777 105 HG3 PRO 18 2HG PRO 18 8.649 20.858 2.457 106 HD2 PRO 18 1HD PRO 18 8.054 18.659 3.921 107 HD3 PRO 18 2HD PRO 18 8.116 20.287 4.625 108 H MET 19 H MET 19 5.132 17.857 3.265 109 HA MET 19 HA MET 19 3.370 17.726 0.908 110 HB2 MET 19 1HB MET 19 5.608 15.879 1.720 111 HB3 MET 19 2HB MET 19 4.347 15.385 0.598 112 HG2 MET 19 1HG MET 19 6.253 17.683 0.225 113 HG3 MET 19 2HG MET 19 6.329 16.120 -0.584 114 HE1 MET 19 3HE MET 19 3.352 15.585 -2.188 115 HE2 MET 19 1HE MET 19 4.367 16.234 -3.476 116 HE3 MET 19 2HE MET 19 5.088 15.273 -2.185 117 H LEU 20 H LEU 20 1.742 16.112 0.938 118 HA LEU 20 HA LEU 20 1.231 14.889 3.562 119 HB2 LEU 20 1HB LEU 20 -0.116 17.053 2.849 120 HB3 LEU 20 2HB LEU 20 -1.066 15.872 1.950 121 HG LEU 20 HG LEU 20 -2.048 16.430 4.138 122 HD11 LEU 20 1HD1 LEU 20 -1.500 13.737 4.825 123 HD12 LEU 20 2HD1 LEU 20 -1.539 13.851 3.066 124 HD13 LEU 20 3HD1 LEU 20 -2.920 14.399 4.016 125 HD21 LEU 20 3HD2 LEU 20 -1.002 15.999 6.171 126 HD22 LEU 20 1HD2 LEU 20 0.283 16.710 5.195 127 HD23 LEU 20 2HD2 LEU 20 0.221 14.963 5.435 128 HA PRO 21 HA PRO 21 0.907 11.354 0.846 129 HB2 PRO 21 1HB PRO 21 0.573 9.537 2.835 130 HB3 PRO 21 2HB PRO 21 2.147 10.221 2.413 131 HG2 PRO 21 1HG PRO 21 0.284 10.981 4.629 132 HG3 PRO 21 2HG PRO 21 2.047 10.793 4.665 133 HD2 PRO 21 1HD PRO 21 0.843 13.213 4.498 134 HD3 PRO 21 2HD PRO 21 2.414 12.873 3.743 135 HA PRO 22 HA PRO 22 -3.412 10.615 0.469 136 HB2 PRO 22 1HB PRO 22 -3.467 8.019 -0.325 137 HB3 PRO 22 2HB PRO 22 -2.925 9.334 -1.375 138 HG2 PRO 22 1HG PRO 22 -1.300 7.402 0.233 139 HG3 PRO 22 2HG PRO 22 -1.041 7.972 -1.426 140 HD2 PRO 22 1HD PRO 22 0.333 8.964 0.686 141 HD3 PRO 22 2HD PRO 22 -0.083 9.949 -0.731 142 H VAL 23 H VAL 23 -5.153 8.916 1.069 143 HA VAL 23 HA VAL 23 -4.557 7.636 3.641 144 HB VAL 23 HB VAL 23 -6.646 8.481 4.613 145 HG11 VAL 23 1HG1 VAL 23 -4.339 9.699 4.683 146 HG12 VAL 23 2HG1 VAL 23 -5.171 10.916 3.713 147 HG13 VAL 23 3HG1 VAL 23 -5.778 10.497 5.315 148 HG21 VAL 23 3HG2 VAL 23 -6.825 10.033 2.037 149 HG22 VAL 23 1HG2 VAL 23 -7.987 8.877 2.688 150 HG23 VAL 23 2HG2 VAL 23 -7.753 10.435 3.482 151 H GLY 24 H GLY 24 -6.844 6.546 4.350 152 HA2 GLY 24 1HA GLY 24 -8.082 4.645 3.937 153 HA3 GLY 24 2HA GLY 24 -8.678 5.582 2.575 154 H VAL 25 H VAL 25 -5.347 4.540 2.913 155 HA VAL 25 HA VAL 25 -5.178 3.479 0.337 156 HB VAL 25 HB VAL 25 -3.466 2.716 2.706 157 HG11 VAL 25 1HG1 VAL 25 -3.214 2.352 -0.247 158 HG12 VAL 25 2HG1 VAL 25 -1.763 2.550 0.737 159 HG13 VAL 25 3HG1 VAL 25 -2.872 1.217 1.058 160 HG21 VAL 25 3HG2 VAL 25 -3.842 5.249 1.757 161 HG22 VAL 25 1HG2 VAL 25 -2.392 4.680 2.584 162 HG23 VAL 25 2HG2 VAL 25 -2.447 4.711 0.822 163 H GLN 26 H GLN 26 -6.308 1.815 -0.420 164 HA GLN 26 HA GLN 26 -6.628 -0.556 1.301 165 HB2 GLN 26 1HB GLN 26 -8.767 0.544 0.837 166 HB3 GLN 26 2HB GLN 26 -8.458 0.438 -0.891 167 HG2 GLN 26 1HG GLN 26 -8.626 -1.936 -0.853 168 HG3 GLN 26 2HG GLN 26 -8.671 -1.960 0.909 169 HE21 GLN 26 1HE2 GLN 26 -10.388 -0.131 -1.605 170 HE22 GLN 26 2HE2 GLN 26 -11.974 -0.499 -1.029 171 H ALA 27 H ALA 27 -6.335 -2.593 0.388 172 HA ALA 27 HA ALA 27 -5.015 -2.596 -2.249 173 HB1 ALA 27 3HB ALA 27 -4.428 -4.333 0.145 174 HB2 ALA 27 1HB ALA 27 -3.687 -4.513 -1.445 175 HB3 ALA 27 2HB ALA 27 -3.408 -3.048 -0.502 176 H VAL 28 H VAL 28 -6.638 -3.244 -3.573 177 HA VAL 28 HA VAL 28 -8.333 -5.488 -2.807 178 HB VAL 28 HB VAL 28 -8.416 -3.919 -5.383 179 HG11 VAL 28 1HG1 VAL 28 -9.710 -6.250 -4.608 180 HG12 VAL 28 2HG1 VAL 28 -10.910 -4.979 -4.369 181 HG13 VAL 28 3HG1 VAL 28 -10.153 -5.193 -5.948 182 HG21 VAL 28 3HG2 VAL 28 -8.669 -2.386 -3.508 183 HG22 VAL 28 1HG2 VAL 28 -10.204 -2.593 -4.352 184 HG23 VAL 28 2HG2 VAL 28 -9.923 -3.416 -2.817 185 H ALA 29 H ALA 29 -8.152 -7.503 -3.588 186 HA ALA 29 HA ALA 29 -5.917 -8.062 -5.392 187 HB1 ALA 29 3HB ALA 29 -6.053 -10.336 -4.636 188 HB2 ALA 29 1HB ALA 29 -6.091 -9.271 -3.230 189 HB3 ALA 29 2HB ALA 29 -7.580 -10.017 -3.812 190 H LEU 30 H LEU 30 -6.329 -8.240 -7.487 191 HA LEU 30 HA LEU 30 -9.018 -8.796 -8.423 192 HB2 LEU 30 1HB LEU 30 -6.558 -8.385 -10.101 193 HB3 LEU 30 2HB LEU 30 -8.242 -8.187 -10.580 194 HG LEU 30 HG LEU 30 -6.987 -6.428 -8.495 195 HD11 LEU 30 1HD1 LEU 30 -7.198 -5.441 -11.271 196 HD12 LEU 30 2HD1 LEU 30 -5.881 -6.562 -10.927 197 HD13 LEU 30 3HD1 LEU 30 -6.021 -5.061 -10.013 198 HD21 LEU 30 3HD2 LEU 30 -9.577 -6.721 -9.494 199 HD22 LEU 30 1HD2 LEU 30 -8.947 -5.259 -10.253 200 HD23 LEU 30 2HD2 LEU 30 -8.959 -5.404 -8.496 201 H THR 31 H THR 31 -5.773 -10.176 -8.940 202 HA THR 31 HA THR 31 -6.947 -12.836 -9.088 203 HB THR 31 HB THR 31 -6.735 -11.705 -11.452 204 HG1 THR 31 1HG THR 31 -6.893 -13.722 -12.132 205 HG21 THR 31 3HG2 THR 31 -4.127 -11.454 -10.699 206 HG22 THR 31 1HG2 THR 31 -4.690 -11.478 -12.370 207 HG23 THR 31 2HG2 THR 31 -4.084 -12.956 -11.622 208 H HIS 32 H HIS 32 -5.111 -14.503 -9.412 209 HA HIS 32 HA HIS 32 -3.447 -14.572 -7.285 210 HB2 HIS 32 1HB HIS 32 -1.968 -16.099 -8.635 211 HB3 HIS 32 2HB HIS 32 -3.679 -16.517 -8.659 212 HD1 HIS 32 1HD HIS 32 -4.984 -15.554 -10.888 213 HD2 HIS 32 2HD HIS 32 -0.854 -15.957 -11.097 214 HE1 HIS 32 1HE HIS 32 -4.433 -15.566 -13.342 215 HE2 HIS 32 2HE HIS 32 -1.938 -15.897 -13.445 216 H ASP 33 H ASP 33 -2.579 -13.271 -10.479 217 HA ASP 33 HA ASP 33 -0.273 -11.940 -9.216 218 HB2 ASP 33 1HB ASP 33 0.441 -11.766 -11.744 219 HB3 ASP 33 2HB ASP 33 0.716 -13.251 -10.837 220 H ALA 34 H ALA 34 -2.788 -10.794 -8.975 221 HA ALA 34 HA ALA 34 -2.334 -8.272 -10.328 222 HB1 ALA 34 3HB ALA 34 -5.034 -9.559 -10.634 223 HB2 ALA 34 1HB ALA 34 -4.419 -8.103 -11.417 224 HB3 ALA 34 2HB ALA 34 -3.772 -9.683 -11.860 225 H VAL 35 H VAL 35 -2.714 -6.660 -8.954 226 HA VAL 35 HA VAL 35 -4.760 -6.980 -6.881 227 HB VAL 35 HB VAL 35 -1.851 -6.431 -6.411 228 HG11 VAL 35 1HG1 VAL 35 -2.773 -4.522 -5.396 229 HG12 VAL 35 2HG1 VAL 35 -4.165 -5.418 -4.784 230 HG13 VAL 35 3HG1 VAL 35 -2.567 -5.684 -4.086 231 HG21 VAL 35 3HG2 VAL 35 -2.622 -7.858 -4.321 232 HG22 VAL 35 1HG2 VAL 35 -3.923 -8.318 -5.420 233 HG23 VAL 35 2HG2 VAL 35 -2.243 -8.616 -5.868 234 H ARG 36 H ARG 36 -6.114 -5.343 -7.174 235 HA ARG 36 HA ARG 36 -5.199 -2.854 -8.354 236 HB2 ARG 36 1HB ARG 36 -7.287 -3.760 -9.167 237 HB3 ARG 36 2HB ARG 36 -7.942 -3.821 -7.536 238 HG2 ARG 36 1HG ARG 36 -8.884 -1.952 -8.717 239 HG3 ARG 36 2HG ARG 36 -7.831 -1.362 -7.429 240 HD2 ARG 36 1HD ARG 36 -6.284 -0.537 -8.884 241 HD3 ARG 36 2HD ARG 36 -6.624 -1.759 -10.108 242 HE ARG 36 HE ARG 36 -7.932 0.801 -9.784 243 HH11 ARG 36 1HH1 ARG 36 -8.046 -2.370 -11.217 244 HH12 ARG 36 2HH1 ARG 36 -9.142 -1.904 -12.476 245 HH21 ARG 36 1HH2 ARG 36 -9.374 1.427 -11.437 246 HH22 ARG 36 2HH2 ARG 36 -9.896 0.256 -12.600 247 H VAL 37 H VAL 37 -3.972 -1.845 -6.790 248 HA VAL 37 HA VAL 37 -5.029 -1.447 -4.123 249 HB VAL 37 HB VAL 37 -2.514 -0.361 -5.400 250 HG11 VAL 37 1HG1 VAL 37 -1.837 0.390 -3.283 251 HG12 VAL 37 2HG1 VAL 37 -3.518 0.909 -3.427 252 HG13 VAL 37 3HG1 VAL 37 -3.111 -0.510 -2.460 253 HG21 VAL 37 3HG2 VAL 37 -3.195 -2.934 -4.226 254 HG22 VAL 37 1HG2 VAL 37 -1.792 -2.463 -5.186 255 HG23 VAL 37 2HG2 VAL 37 -1.807 -2.176 -3.446 256 H SER 38 H SER 38 -6.586 0.017 -3.862 257 HA SER 38 HA SER 38 -6.328 2.592 -5.274 258 HB2 SER 38 1HB SER 38 -8.363 0.935 -5.687 259 HB3 SER 38 2HB SER 38 -8.971 1.692 -4.215 260 HG SER 38 HG SER 38 -9.504 2.702 -6.335 261 H TRP 39 H TRP 39 -6.958 4.488 -4.134 262 HA TRP 39 HA TRP 39 -7.344 4.241 -1.251 263 HB2 TRP 39 1HB TRP 39 -5.552 5.928 -0.824 264 HB3 TRP 39 2HB TRP 39 -4.943 4.388 -1.424 265 HD1 TRP 39 HD TRP 39 -5.064 8.064 -2.248 266 HE1 TRP 39 1HE TRP 39 -3.713 8.507 -4.393 267 HE3 TRP 39 3HE TRP 39 -4.305 3.234 -3.739 268 HZ2 TRP 39 2HZ TRP 39 -2.488 7.006 -6.446 269 HZ3 TRP 39 3HZ TRP 39 -3.034 2.823 -5.805 270 HH2 TRP 39 HH TRP 39 -2.145 4.672 -7.130 271 H ALA 40 H ALA 40 -7.373 6.698 -0.373 272 HA ALA 40 HA ALA 40 -9.249 8.122 -2.145 273 HB1 ALA 40 3HB ALA 40 -9.594 9.088 0.455 274 HB2 ALA 40 1HB ALA 40 -10.673 8.021 -0.445 275 HB3 ALA 40 2HB ALA 40 -9.440 7.339 0.616 276 H ASP 41 H ASP 41 -9.186 10.416 -2.179 277 HA ASP 41 HA ASP 41 -6.538 11.502 -1.498 278 HB2 ASP 41 1HB ASP 41 -7.240 11.499 -3.913 279 HB3 ASP 41 2HB ASP 41 -8.529 12.618 -3.480 280 H ASN 42 H ASN 42 -6.685 12.406 0.472 281 HA ASN 42 HA ASN 42 -8.986 14.145 1.042 282 HB2 ASN 42 1HB ASN 42 -7.185 12.486 2.744 283 HB3 ASN 42 2HB ASN 42 -7.846 13.963 3.441 284 HD21 ASN 42 1HD2 ASN 42 -9.103 11.422 1.302 285 HD22 ASN 42 2HD2 ASN 42 -10.515 11.095 2.243 286 H SER 43 H SER 43 -5.619 14.127 0.422 287 HA SER 43 HA SER 43 -5.138 16.719 1.636 288 HB2 SER 43 1HB SER 43 -3.261 15.173 -0.156 289 HB3 SER 43 2HB SER 43 -2.851 16.421 1.021 290 HG SER 43 HG SER 43 -3.668 13.761 1.466 291 H VAL 44 H VAL 44 -7.112 17.166 -0.042 292 HA VAL 44 HA VAL 44 -5.831 18.549 -2.301 293 HB VAL 44 HB VAL 44 -6.962 16.574 -3.192 294 HG11 VAL 44 1HG1 VAL 44 -8.670 16.603 -1.251 295 HG12 VAL 44 2HG1 VAL 44 -9.598 17.677 -2.300 296 HG13 VAL 44 3HG1 VAL 44 -9.194 16.047 -2.841 297 HG21 VAL 44 3HG2 VAL 44 -7.841 19.320 -3.826 298 HG22 VAL 44 1HG2 VAL 44 -7.077 18.105 -4.852 299 HG23 VAL 44 2HG2 VAL 44 -8.806 18.014 -4.515 300 HA PRO 45 HA PRO 45 -7.923 21.974 -0.372 301 HB2 PRO 45 1HB PRO 45 -7.126 23.840 -2.175 302 HB3 PRO 45 2HB PRO 45 -6.063 23.210 -0.911 303 HG2 PRO 45 1HG PRO 45 -6.232 22.445 -3.801 304 HG3 PRO 45 2HG PRO 45 -4.795 22.709 -2.795 305 HD2 PRO 45 1HD PRO 45 -5.735 20.236 -3.371 306 HD3 PRO 45 2HD PRO 45 -4.926 20.617 -1.837 307 H LYS 46 H LYS 46 -9.430 23.726 -1.126 308 HA LYS 46 HA LYS 46 -11.635 22.654 -2.446 309 HB2 LYS 46 1HB LYS 46 -12.632 24.784 -2.265 310 HB3 LYS 46 2HB LYS 46 -11.545 24.670 -0.888 311 HG2 LYS 46 1HG LYS 46 -10.450 25.882 -3.351 312 HG3 LYS 46 2HG LYS 46 -11.667 26.809 -2.470 313 HD2 LYS 46 1HD LYS 46 -9.436 25.587 -0.927 314 HD3 LYS 46 2HD LYS 46 -9.089 27.012 -1.909 315 HE2 LYS 46 1HE LYS 46 -9.692 28.038 0.036 316 HE3 LYS 46 2HE LYS 46 -11.278 27.910 -0.724 317 HZ1 LYS 46 3HZ LYS 46 -10.804 25.544 0.680 318 HZ2 LYS 46 1HZ LYS 46 -11.958 26.738 1.007 319 HZ3 LYS 46 2HZ LYS 46 -10.426 26.826 1.717 320 H ASN 47 H ASN 47 -8.831 24.277 -3.695 321 HA ASN 47 HA ASN 47 -9.765 23.750 -6.409 322 HB2 ASN 47 1HB ASN 47 -9.148 26.446 -5.282 323 HB3 ASN 47 2HB ASN 47 -8.679 26.110 -6.946 324 HD21 ASN 47 1HD2 ASN 47 -11.113 27.191 -4.970 325 HD22 ASN 47 2HD2 ASN 47 -12.439 27.054 -6.069 326 H GLN 48 H GLN 48 -8.229 22.711 -7.483 327 HA GLN 48 HA GLN 48 -5.477 22.839 -6.495 328 HB2 GLN 48 1HB GLN 48 -6.988 20.873 -8.188 329 HB3 GLN 48 2HB GLN 48 -5.229 20.874 -8.169 330 HG2 GLN 48 1HG GLN 48 -6.834 20.711 -5.643 331 HG3 GLN 48 2HG GLN 48 -6.438 19.280 -6.593 332 HE21 GLN 48 1HE2 GLN 48 -4.381 18.488 -6.575 333 HE22 GLN 48 2HE2 GLN 48 -3.138 19.088 -5.537 334 H LYS 49 H LYS 49 -4.910 24.855 -7.393 335 HA LYS 49 HA LYS 49 -4.693 24.879 -10.332 336 HB2 LYS 49 1HB LYS 49 -5.173 27.048 -8.329 337 HB3 LYS 49 2HB LYS 49 -4.333 27.442 -9.823 338 HG2 LYS 49 1HG LYS 49 -6.886 25.931 -9.998 339 HG3 LYS 49 2HG LYS 49 -6.946 27.653 -9.614 340 HD2 LYS 49 1HD LYS 49 -5.359 26.615 -11.942 341 HD3 LYS 49 2HD LYS 49 -7.084 26.964 -12.083 342 HE2 LYS 49 1HE LYS 49 -6.769 29.246 -11.647 343 HE3 LYS 49 2HE LYS 49 -5.152 28.988 -10.995 344 HZ1 LYS 49 3HZ LYS 49 -4.681 28.139 -13.391 345 HZ2 LYS 49 1HZ LYS 49 -4.688 29.800 -13.069 346 HZ3 LYS 49 2HZ LYS 49 -6.031 29.074 -13.795 347 H THR 50 H THR 50 -2.813 23.485 -8.828 348 HA THR 50 HA THR 50 -0.496 25.184 -8.453 349 HB THR 50 HB THR 50 -0.243 22.216 -8.437 350 HG1 THR 50 1HG THR 50 -1.882 22.074 -7.101 351 HG21 THR 50 3HG2 THR 50 1.292 24.400 -7.603 352 HG22 THR 50 1HG2 THR 50 1.609 22.695 -7.290 353 HG23 THR 50 2HG2 THR 50 0.701 23.652 -6.120 354 H SER 51 H SER 51 1.503 24.891 -9.569 355 HA SER 51 HA SER 51 1.310 24.843 -12.338 356 HB2 SER 51 1HB SER 51 3.803 24.621 -12.312 357 HB3 SER 51 2HB SER 51 3.197 25.893 -11.251 358 HG SER 51 HG SER 51 4.654 24.758 -10.059 359 H GLU 52 H GLU 52 2.842 22.339 -10.306 360 HA GLU 52 HA GLU 52 2.368 20.407 -12.466 361 HB2 GLU 52 1HB GLU 52 4.690 20.891 -11.275 362 HB3 GLU 52 2HB GLU 52 4.057 19.749 -10.099 363 HG2 GLU 52 1HG GLU 52 5.264 18.403 -11.530 364 HG3 GLU 52 2HG GLU 52 3.615 18.233 -12.131 365 H VAL 53 H VAL 53 1.590 18.288 -11.947 366 HA VAL 53 HA VAL 53 -0.341 18.341 -9.752 367 HB VAL 53 HB VAL 53 -0.070 16.473 -12.109 368 HG11 VAL 53 1HG1 VAL 53 -0.979 15.121 -10.435 369 HG12 VAL 53 2HG1 VAL 53 -1.931 16.443 -9.756 370 HG13 VAL 53 3HG1 VAL 53 -2.388 15.730 -11.303 371 HG21 VAL 53 3HG2 VAL 53 -2.435 18.209 -11.605 372 HG22 VAL 53 1HG2 VAL 53 -0.969 18.944 -12.254 373 HG23 VAL 53 2HG2 VAL 53 -1.760 17.634 -13.129 374 H ARG 54 H ARG 54 0.016 17.292 -7.917 375 HA ARG 54 HA ARG 54 2.316 16.003 -7.197 376 HB2 ARG 54 1HB ARG 54 0.596 14.718 -5.581 377 HB3 ARG 54 2HB ARG 54 1.077 16.392 -5.337 378 HG2 ARG 54 1HG ARG 54 -1.266 15.892 -7.077 379 HG3 ARG 54 2HG ARG 54 -1.460 15.618 -5.344 380 HD2 ARG 54 1HD ARG 54 -0.142 18.133 -6.216 381 HD3 ARG 54 2HD ARG 54 -1.882 17.990 -6.462 382 HE ARG 54 HE ARG 54 -1.382 17.227 -3.848 383 HH11 ARG 54 1HH1 ARG 54 -1.015 20.077 -5.813 384 HH12 ARG 54 2HH1 ARG 54 -1.215 21.175 -4.488 385 HH21 ARG 54 1HH2 ARG 54 -1.647 18.662 -2.095 386 HH22 ARG 54 2HH2 ARG 54 -1.574 20.370 -2.373 387 H LEU 55 H LEU 55 3.260 14.160 -7.754 388 HA LEU 55 HA LEU 55 1.754 12.187 -9.277 389 HB2 LEU 55 1HB LEU 55 3.862 12.864 -10.199 390 HB3 LEU 55 2HB LEU 55 4.692 12.495 -8.689 391 HG LEU 55 HG LEU 55 3.710 10.064 -9.258 392 HD11 LEU 55 1HD1 LEU 55 4.269 11.291 -11.953 393 HD12 LEU 55 2HD1 LEU 55 2.668 10.870 -11.347 394 HD13 LEU 55 3HD1 LEU 55 3.868 9.606 -11.617 395 HD21 LEU 55 3HD2 LEU 55 6.044 10.646 -8.772 396 HD22 LEU 55 1HD2 LEU 55 6.237 11.227 -10.426 397 HD23 LEU 55 2HD2 LEU 55 5.915 9.519 -10.123 398 H TYR 56 H TYR 56 1.122 10.269 -8.512 399 HA TYR 56 HA TYR 56 1.826 9.598 -5.750 400 HB2 TYR 56 1HB TYR 56 -0.436 8.792 -7.563 401 HB3 TYR 56 2HB TYR 56 -0.083 7.894 -6.091 402 HD1 TYR 56 1HD TYR 56 0.009 11.564 -6.750 403 HD2 TYR 56 2HD TYR 56 -1.819 8.366 -4.621 404 HE1 TYR 56 1HE TYR 56 -1.306 13.188 -5.452 405 HE2 TYR 56 2HE TYR 56 -3.140 9.980 -3.318 406 HH TYR 56 HH TYR 56 -2.503 12.934 -2.862 407 H THR 57 H THR 57 3.110 7.941 -5.263 408 HA THR 57 HA THR 57 3.906 6.123 -7.436 409 HB THR 57 HB THR 57 5.395 6.792 -4.889 410 HG1 THR 57 1HG THR 57 5.183 8.253 -6.984 411 HG21 THR 57 3HG2 THR 57 5.664 4.467 -6.032 412 HG22 THR 57 1HG2 THR 57 7.102 5.377 -5.570 413 HG23 THR 57 2HG2 THR 57 6.564 5.370 -7.250 414 H VAL 58 H VAL 58 3.880 3.920 -7.148 415 HA VAL 58 HA VAL 58 2.552 2.961 -4.697 416 HB VAL 58 HB VAL 58 2.447 1.616 -7.395 417 HG11 VAL 58 1HG1 VAL 58 0.790 1.257 -4.900 418 HG12 VAL 58 2HG1 VAL 58 0.586 0.378 -6.416 419 HG13 VAL 58 3HG1 VAL 58 2.056 0.167 -5.464 420 HG21 VAL 58 3HG2 VAL 58 0.842 3.000 -8.070 421 HG22 VAL 58 1HG2 VAL 58 -0.050 2.771 -6.566 422 HG23 VAL 58 2HG2 VAL 58 1.194 4.017 -6.672 423 H ARG 59 H ARG 59 3.751 1.707 -3.442 424 HA ARG 59 HA ARG 59 5.858 0.065 -4.682 425 HB2 ARG 59 1HB ARG 59 7.378 0.557 -2.930 426 HB3 ARG 59 2HB ARG 59 6.719 2.103 -3.448 427 HG2 ARG 59 1HG ARG 59 5.580 2.432 -1.502 428 HG3 ARG 59 2HG ARG 59 5.384 0.705 -1.197 429 HD2 ARG 59 1HD ARG 59 6.957 1.912 0.355 430 HD3 ARG 59 2HD ARG 59 7.622 0.491 -0.449 431 HE ARG 59 HE ARG 59 8.132 2.993 -1.795 432 HH11 ARG 59 1HH1 ARG 59 9.259 0.678 0.548 433 HH12 ARG 59 2HH1 ARG 59 10.918 1.165 0.424 434 HH21 ARG 59 1HH2 ARG 59 10.312 3.643 -1.967 435 HH22 ARG 59 2HH2 ARG 59 11.515 2.852 -1.006 436 H TRP 60 H TRP 60 6.301 -1.930 -3.683 437 HA TRP 60 HA TRP 60 4.794 -2.792 -1.390 438 HB2 TRP 60 1HB TRP 60 3.661 -4.663 -2.605 439 HB3 TRP 60 2HB TRP 60 3.051 -3.066 -3.028 440 HD1 TRP 60 HD TRP 60 4.729 -6.106 -4.514 441 HE1 TRP 60 1HE TRP 60 4.951 -5.799 -7.059 442 HE3 TRP 60 3HE TRP 60 3.409 -1.179 -4.854 443 HZ2 TRP 60 2HZ TRP 60 4.613 -3.739 -8.960 444 HZ3 TRP 60 3HZ TRP 60 3.385 -0.115 -7.072 445 HH2 TRP 60 HH TRP 60 3.975 -1.370 -9.082 446 H ARG 61 H ARG 61 5.421 -4.894 -0.640 447 HA ARG 61 HA ARG 61 7.573 -6.263 -2.013 448 HB2 ARG 61 1HB ARG 61 8.432 -4.297 -0.453 449 HB3 ARG 61 2HB ARG 61 8.180 -5.499 0.805 450 HG2 ARG 61 1HG ARG 61 9.557 -6.962 -0.995 451 HG3 ARG 61 2HG ARG 61 10.228 -5.358 -1.296 452 HD2 ARG 61 1HD ARG 61 11.437 -6.737 0.428 453 HD3 ARG 61 2HD ARG 61 10.932 -5.132 0.955 454 HE ARG 61 HE ARG 61 9.012 -7.158 1.583 455 HH11 ARG 61 1HH1 ARG 61 11.975 -5.650 2.616 456 HH12 ARG 61 2HH1 ARG 61 11.750 -6.053 4.286 457 HH21 ARG 61 1HH2 ARG 61 8.705 -7.694 3.779 458 HH22 ARG 61 2HH2 ARG 61 9.891 -7.217 4.946 459 H THR 62 H THR 62 7.964 -8.360 -1.219 460 HA THR 62 HA THR 62 5.795 -9.806 -0.346 461 HB THR 62 HB THR 62 7.580 -11.506 0.475 462 HG1 THR 62 1HG THR 62 9.270 -9.753 -0.997 463 HG21 THR 62 3HG2 THR 62 8.037 -12.193 -1.801 464 HG22 THR 62 1HG2 THR 62 7.638 -10.583 -2.400 465 HG23 THR 62 2HG2 THR 62 6.381 -11.598 -1.693 466 H SER 63 H SER 63 4.792 -10.095 1.537 467 HA SER 63 HA SER 63 5.599 -8.665 3.860 468 HB2 SER 63 1HB SER 63 3.353 -10.493 3.146 469 HB3 SER 63 2HB SER 63 3.686 -10.227 4.858 470 HG SER 63 HG SER 63 3.518 -7.961 4.421 471 H PHE 64 H PHE 64 6.564 -9.345 5.710 472 HA PHE 64 HA PHE 64 8.008 -10.574 6.978 473 HB2 PHE 64 1HB PHE 64 6.087 -12.793 6.241 474 HB3 PHE 64 2HB PHE 64 7.207 -12.809 7.599 475 HD1 PHE 64 2HD PHE 64 6.838 -11.328 9.526 476 HD2 PHE 64 1HD PHE 64 4.027 -11.607 6.342 477 HE1 PHE 64 2HE PHE 64 5.128 -10.277 10.948 478 HE2 PHE 64 1HE PHE 64 2.313 -10.556 7.759 479 HZ PHE 64 HZ PHE 64 2.862 -9.890 10.066 480 H SER 65 H SER 65 8.871 -10.251 4.336 481 HA SER 65 HA SER 65 10.011 -12.856 3.612 482 HB2 SER 65 1HB SER 65 8.816 -11.132 1.974 483 HB3 SER 65 2HB SER 65 10.434 -10.433 1.921 484 HG SER 65 HG SER 65 9.793 -13.146 1.378 485 H ALA 66 H ALA 66 12.304 -12.422 2.471 486 HA ALA 66 HA ALA 66 13.925 -10.720 4.230 487 HB1 ALA 66 3HB ALA 66 15.465 -12.421 4.742 488 HB2 ALA 66 1HB ALA 66 13.876 -13.143 4.997 489 HB3 ALA 66 2HB ALA 66 14.788 -13.512 3.533 490 H SER 67 H SER 67 15.903 -10.020 3.343 491 HA SER 67 HA SER 67 17.032 -9.032 1.606 492 HB2 SER 67 1HB SER 67 17.134 -11.986 1.174 493 HB3 SER 67 2HB SER 67 17.815 -10.935 -0.068 494 HG SER 67 HG SER 67 19.203 -11.685 1.789 495 H ALA 68 H ALA 68 14.202 -8.916 1.268 496 HA ALA 68 HA ALA 68 13.717 -9.458 -1.551 497 HB1 ALA 68 3HB ALA 68 12.023 -8.686 0.771 498 HB2 ALA 68 1HB ALA 68 11.452 -8.313 -0.855 499 HB3 ALA 68 2HB ALA 68 11.806 -9.982 -0.405 500 H LYS 69 H LYS 69 12.563 -7.674 -2.800 501 HA LYS 69 HA LYS 69 13.843 -5.076 -2.256 502 HB2 LYS 69 1HB LYS 69 14.050 -4.761 -4.695 503 HB3 LYS 69 2HB LYS 69 14.976 -6.142 -4.122 504 HG2 LYS 69 1HG LYS 69 14.018 -7.061 -5.966 505 HG3 LYS 69 2HG LYS 69 12.775 -7.444 -4.772 506 HD2 LYS 69 1HD LYS 69 11.777 -5.144 -5.471 507 HD3 LYS 69 2HD LYS 69 12.770 -5.355 -6.914 508 HE2 LYS 69 1HE LYS 69 10.965 -7.552 -5.980 509 HE3 LYS 69 2HE LYS 69 10.317 -6.204 -6.912 510 HZ1 LYS 69 3HZ LYS 69 10.887 -7.954 -8.405 511 HZ2 LYS 69 1HZ LYS 69 12.443 -8.094 -7.755 512 HZ3 LYS 69 2HZ LYS 69 12.012 -6.710 -8.626 513 H TYR 70 H TYR 70 12.626 -3.254 -2.569 514 HA TYR 70 HA TYR 70 9.756 -3.681 -2.818 515 HB2 TYR 70 1HB TYR 70 11.499 -1.628 -1.624 516 HB3 TYR 70 2HB TYR 70 10.045 -1.001 -2.393 517 HD1 TYR 70 2HD TYR 70 11.282 -3.313 0.218 518 HD2 TYR 70 1HD TYR 70 7.919 -1.250 -1.376 519 HE1 TYR 70 2HE TYR 70 9.975 -3.912 2.214 520 HE2 TYR 70 1HE TYR 70 6.604 -1.843 0.616 521 HH TYR 70 HH TYR 70 6.971 -2.484 2.941 522 H LYS 71 H LYS 71 8.536 -3.034 -4.496 523 HA LYS 71 HA LYS 71 9.908 -2.058 -6.865 524 HB2 LYS 71 1HB LYS 71 7.395 -3.479 -6.291 525 HB3 LYS 71 2HB LYS 71 7.286 -2.302 -7.593 526 HG2 LYS 71 1HG LYS 71 8.829 -3.428 -8.912 527 HG3 LYS 71 2HG LYS 71 9.494 -4.321 -7.541 528 HD2 LYS 71 1HD LYS 71 7.790 -5.856 -7.541 529 HD3 LYS 71 2HD LYS 71 6.629 -4.728 -8.245 530 HE2 LYS 71 1HE LYS 71 7.385 -5.091 -10.398 531 HE3 LYS 71 2HE LYS 71 8.972 -5.636 -9.859 532 HZ1 LYS 71 3HZ LYS 71 6.561 -7.147 -10.277 533 HZ2 LYS 71 1HZ LYS 71 7.311 -7.483 -8.799 534 HZ3 LYS 71 2HZ LYS 71 8.170 -7.667 -10.244 535 H SER 72 H SER 72 8.504 -0.477 -8.245 536 HA SER 72 HA SER 72 7.012 1.488 -6.778 537 HB2 SER 72 1HB SER 72 8.603 3.366 -7.337 538 HB3 SER 72 2HB SER 72 9.181 2.255 -6.095 539 HG SER 72 HG SER 72 9.848 1.660 -8.728 540 H GLU 73 H GLU 73 5.660 2.568 -8.099 541 HA GLU 73 HA GLU 73 6.249 2.662 -10.968 542 HB2 GLU 73 1HB GLU 73 3.871 1.385 -9.666 543 HB3 GLU 73 2HB GLU 73 3.705 2.124 -11.252 544 HG2 GLU 73 1HG GLU 73 5.318 -0.253 -10.439 545 HG3 GLU 73 2HG GLU 73 4.136 -0.094 -11.738 546 H ASP 74 H ASP 74 5.048 4.268 -12.129 547 HA ASP 74 HA ASP 74 4.154 6.461 -10.386 548 HB2 ASP 74 1HB ASP 74 4.989 7.980 -11.911 549 HB3 ASP 74 2HB ASP 74 6.120 6.646 -12.127 550 H THR 75 H THR 75 2.060 6.895 -10.317 551 HA THR 75 HA THR 75 0.420 6.477 -12.708 552 HB THR 75 HB THR 75 0.172 4.461 -11.266 553 HG1 THR 75 1HG THR 75 -2.008 6.206 -11.737 554 HG21 THR 75 3HG2 THR 75 0.373 6.023 -9.142 555 HG22 THR 75 1HG2 THR 75 -0.556 4.525 -9.091 556 HG23 THR 75 2HG2 THR 75 -1.383 6.069 -9.299 557 H THR 76 H THR 76 -0.993 8.080 -13.064 558 HA THR 76 HA THR 76 -1.133 10.234 -11.099 559 HB THR 76 HB THR 76 -2.353 11.431 -13.011 560 HG1 THR 76 1HG THR 76 -2.236 10.505 -15.007 561 HG21 THR 76 3HG2 THR 76 0.350 10.745 -13.991 562 HG22 THR 76 1HG2 THR 76 0.249 11.340 -12.335 563 HG23 THR 76 2HG2 THR 76 -0.371 12.321 -13.664 564 H SER 77 H SER 77 -2.597 7.724 -10.701 565 HA SER 77 HA SER 77 -5.300 8.867 -10.517 566 HB2 SER 77 1HB SER 77 -4.472 6.218 -11.642 567 HB3 SER 77 2HB SER 77 -6.023 6.351 -10.813 568 HG SER 77 HG SER 77 -5.138 7.741 -13.114 569 H LEU 78 H LEU 78 -6.675 7.446 -8.978 570 HA LEU 78 HA LEU 78 -5.096 7.096 -6.541 571 HB2 LEU 78 1HB LEU 78 -8.086 7.213 -6.905 572 HB3 LEU 78 2HB LEU 78 -7.226 7.186 -5.367 573 HG LEU 78 HG LEU 78 -6.719 9.403 -7.307 574 HD11 LEU 78 1HD1 LEU 78 -9.247 8.971 -6.838 575 HD12 LEU 78 2HD1 LEU 78 -8.591 10.604 -6.723 576 HD13 LEU 78 3HD1 LEU 78 -8.873 9.662 -5.259 577 HD21 LEU 78 3HD2 LEU 78 -6.069 10.603 -5.392 578 HD22 LEU 78 1HD2 LEU 78 -5.394 8.988 -5.177 579 HD23 LEU 78 2HD2 LEU 78 -6.854 9.457 -4.305 580 H SER 79 H SER 79 -5.280 5.119 -8.787 581 HA SER 79 HA SER 79 -5.661 2.789 -7.128 582 HB2 SER 79 1HB SER 79 -7.443 1.786 -8.241 583 HB3 SER 79 2HB SER 79 -7.942 3.478 -8.215 584 HG SER 79 HG SER 79 -8.206 2.722 -10.290 585 H TYR 80 H TYR 80 -4.250 1.246 -7.677 586 HA TYR 80 HA TYR 80 -3.067 1.333 -10.372 587 HB2 TYR 80 1HB TYR 80 -1.434 2.294 -8.894 588 HB3 TYR 80 2HB TYR 80 -1.643 0.991 -7.729 589 HD1 TYR 80 1HD TYR 80 -0.356 1.797 -11.106 590 HD2 TYR 80 2HD TYR 80 -0.418 -1.026 -7.923 591 HE1 TYR 80 1HE TYR 80 1.474 0.554 -12.181 592 HE2 TYR 80 2HE TYR 80 1.413 -2.276 -8.988 593 HH TYR 80 HH TYR 80 2.777 -2.417 -10.729 594 H THR 81 H THR 81 -2.365 -0.655 -11.228 595 HA THR 81 HA THR 81 -3.544 -3.005 -9.899 596 HB THR 81 HB THR 81 -2.995 -2.675 -12.853 597 HG1 THR 81 1HG THR 81 -4.672 -1.272 -12.128 598 HG21 THR 81 3HG2 THR 81 -3.098 -4.947 -12.587 599 HG22 THR 81 1HG2 THR 81 -4.818 -4.595 -12.750 600 HG23 THR 81 2HG2 THR 81 -4.116 -4.843 -11.151 601 H ALA 82 H ALA 82 -1.861 -3.859 -8.778 602 HA ALA 82 HA ALA 82 0.803 -3.983 -9.805 603 HB1 ALA 82 3HB ALA 82 0.126 -3.903 -7.364 604 HB2 ALA 82 1HB ALA 82 -0.275 -5.613 -7.521 605 HB3 ALA 82 2HB ALA 82 1.380 -5.066 -7.793 606 H THR 83 H THR 83 1.125 -5.182 -11.589 607 HA THR 83 HA THR 83 -0.048 -7.872 -11.713 608 HB THR 83 HB THR 83 0.442 -7.850 -14.094 609 HG1 THR 83 1HG THR 83 1.608 -6.263 -15.028 610 HG21 THR 83 3HG2 THR 83 -1.010 -5.484 -12.961 611 HG22 THR 83 1HG2 THR 83 -1.668 -6.938 -13.709 612 HG23 THR 83 2HG2 THR 83 -0.884 -5.712 -14.704 613 H GLY 84 H GLY 84 1.249 -9.674 -12.311 614 HA2 GLY 84 1HA GLY 84 3.200 -10.912 -12.492 615 HA3 GLY 84 2HA GLY 84 4.114 -9.411 -12.471 616 H LEU 85 H LEU 85 1.868 -10.862 -10.121 617 HA LEU 85 HA LEU 85 3.992 -10.606 -8.098 618 HB2 LEU 85 1HB LEU 85 1.122 -10.951 -7.374 619 HB3 LEU 85 2HB LEU 85 2.411 -10.133 -6.494 620 HG LEU 85 HG LEU 85 1.354 -8.986 -9.052 621 HD11 LEU 85 1HD1 LEU 85 0.120 -7.666 -6.903 622 HD12 LEU 85 2HD1 LEU 85 -0.166 -9.388 -6.659 623 HD13 LEU 85 3HD1 LEU 85 -0.646 -8.621 -8.172 624 HD21 LEU 85 3HD2 LEU 85 2.265 -6.983 -8.280 625 HD22 LEU 85 1HD2 LEU 85 3.456 -8.195 -7.805 626 HD23 LEU 85 2HD2 LEU 85 2.333 -7.547 -6.609 627 H LYS 86 H LYS 86 3.663 -12.206 -6.223 628 HA LYS 86 HA LYS 86 3.685 -14.863 -7.368 629 HB2 LYS 86 1HB LYS 86 5.263 -13.845 -5.537 630 HB3 LYS 86 2HB LYS 86 3.975 -14.318 -4.437 631 HG2 LYS 86 1HG LYS 86 4.285 -16.575 -4.833 632 HG3 LYS 86 2HG LYS 86 5.095 -16.296 -6.376 633 HD2 LYS 86 1HD LYS 86 6.866 -16.876 -5.011 634 HD3 LYS 86 2HD LYS 86 6.892 -15.114 -4.904 635 HE2 LYS 86 1HE LYS 86 6.071 -15.099 -2.753 636 HE3 LYS 86 2HE LYS 86 5.279 -16.664 -2.932 637 HZ1 LYS 86 3HZ LYS 86 7.893 -17.277 -3.225 638 HZ2 LYS 86 1HZ LYS 86 7.015 -17.432 -1.787 639 HZ3 LYS 86 2HZ LYS 86 7.952 -16.051 -2.062 640 HA PRO 87 HA PRO 87 -0.522 -15.763 -6.340 641 HB2 PRO 87 1HB PRO 87 -0.399 -18.451 -6.704 642 HB3 PRO 87 2HB PRO 87 -0.439 -17.301 -8.046 643 HG2 PRO 87 1HG PRO 87 1.903 -18.715 -6.832 644 HG3 PRO 87 2HG PRO 87 1.529 -18.435 -8.543 645 HD2 PRO 87 1HD PRO 87 3.317 -16.928 -7.178 646 HD3 PRO 87 2HD PRO 87 2.321 -16.271 -8.492 647 H ASN 88 H ASN 88 -1.736 -16.699 -4.672 648 HA ASN 88 HA ASN 88 -2.112 -17.201 -2.477 649 HB2 ASN 88 1HB ASN 88 -1.245 -19.344 -1.752 650 HB3 ASN 88 2HB ASN 88 -1.672 -19.445 -3.458 651 HD21 ASN 88 1HD2 ASN 88 -0.145 -19.957 -4.914 652 HD22 ASN 88 2HD2 ASN 88 1.513 -20.256 -4.529 653 H THR 89 H THR 89 -0.142 -15.151 -2.949 654 HA THR 89 HA THR 89 1.277 -15.332 -0.392 655 HB THR 89 HB THR 89 2.595 -14.424 -2.960 656 HG1 THR 89 1HG THR 89 3.100 -16.700 -1.314 657 HG21 THR 89 3HG2 THR 89 4.563 -14.742 -1.086 658 HG22 THR 89 1HG2 THR 89 3.247 -14.069 -0.125 659 HG23 THR 89 2HG2 THR 89 3.838 -13.200 -1.541 660 H MET 90 H MET 90 1.019 -13.554 0.798 661 HA MET 90 HA MET 90 -0.152 -11.191 -0.476 662 HB2 MET 90 1HB MET 90 -1.391 -12.089 1.410 663 HB3 MET 90 2HB MET 90 0.037 -11.996 2.431 664 HG2 MET 90 1HG MET 90 -0.877 -9.489 1.156 665 HG3 MET 90 2HG MET 90 -1.872 -10.151 2.450 666 HE1 MET 90 3HE MET 90 -0.780 -11.253 4.377 667 HE2 MET 90 1HE MET 90 0.933 -11.120 4.777 668 HE3 MET 90 2HE MET 90 -0.231 -10.014 5.506 669 H TYR 91 H TYR 91 0.713 -9.136 -0.242 670 HA TYR 91 HA TYR 91 3.387 -8.964 0.972 671 HB2 TYR 91 1HB TYR 91 3.111 -7.232 -1.340 672 HB3 TYR 91 2HB TYR 91 4.378 -8.392 -0.955 673 HD1 TYR 91 1HD TYR 91 3.556 -10.946 -1.241 674 HD2 TYR 91 2HD TYR 91 1.952 -7.584 -3.296 675 HE1 TYR 91 1HE TYR 91 2.744 -12.432 -3.025 676 HE2 TYR 91 2HE TYR 91 1.135 -9.060 -5.086 677 HH TYR 91 HH TYR 91 2.033 -12.409 -5.258 678 H GLU 92 H GLU 92 3.992 -6.385 0.636 679 HA GLU 92 HA GLU 92 1.886 -5.027 2.158 680 HB2 GLU 92 1HB GLU 92 4.846 -4.821 2.042 681 HB3 GLU 92 2HB GLU 92 3.958 -3.338 2.363 682 HG2 GLU 92 1HG GLU 92 2.773 -4.627 4.202 683 HG3 GLU 92 2HG GLU 92 4.012 -5.862 3.981 684 H PHE 93 H PHE 93 1.058 -3.049 1.562 685 HA PHE 93 HA PHE 93 1.918 -1.955 -1.025 686 HB2 PHE 93 1HB PHE 93 -0.927 -2.530 -0.180 687 HB3 PHE 93 2HB PHE 93 -0.495 -1.547 -1.575 688 HD1 PHE 93 2HD PHE 93 -0.398 -4.940 -0.151 689 HD2 PHE 93 1HD PHE 93 0.208 -2.538 -3.612 690 HE1 PHE 93 2HE PHE 93 -0.271 -6.971 -1.534 691 HE2 PHE 93 1HE PHE 93 0.336 -4.565 -5.001 692 HZ PHE 93 HZ PHE 93 0.097 -6.785 -3.962 693 H SER 94 H SER 94 1.898 0.242 -1.186 694 HA SER 94 HA SER 94 0.566 1.859 0.818 695 HB2 SER 94 1HB SER 94 2.864 1.170 1.732 696 HB3 SER 94 2HB SER 94 3.543 2.212 0.482 697 HG SER 94 HG SER 94 2.818 2.984 2.813 698 H VAL 95 H VAL 95 1.328 4.284 0.401 699 HA VAL 95 HA VAL 95 1.858 4.818 -2.401 700 HB VAL 95 HB VAL 95 -0.702 5.824 -1.155 701 HG11 VAL 95 1HG1 VAL 95 0.319 5.996 -3.988 702 HG12 VAL 95 2HG1 VAL 95 -1.205 6.648 -3.382 703 HG13 VAL 95 3HG1 VAL 95 0.328 7.315 -2.818 704 HG21 VAL 95 3HG2 VAL 95 -1.880 4.308 -2.633 705 HG22 VAL 95 1HG2 VAL 95 -0.351 3.704 -3.271 706 HG23 VAL 95 2HG2 VAL 95 -0.787 3.398 -1.590 707 H MET 96 H MET 96 2.315 7.048 -2.835 708 HA MET 96 HA MET 96 2.434 8.901 -0.616 709 HB2 MET 96 1HB MET 96 4.859 9.292 -0.828 710 HB3 MET 96 2HB MET 96 4.498 7.662 -0.276 711 HG2 MET 96 1HG MET 96 6.072 7.174 -1.825 712 HG3 MET 96 2HG MET 96 4.648 7.143 -2.862 713 HE1 MET 96 3HE MET 96 7.109 9.404 -1.204 714 HE2 MET 96 1HE MET 96 8.256 9.091 -2.508 715 HE3 MET 96 2HE MET 96 7.489 10.673 -2.369 716 H VAL 97 H VAL 97 3.895 10.898 -1.529 717 HA VAL 97 HA VAL 97 3.134 11.385 -4.320 718 HB VAL 97 HB VAL 97 1.345 12.393 -3.066 719 HG11 VAL 97 1HG1 VAL 97 1.989 14.317 -1.472 720 HG12 VAL 97 2HG1 VAL 97 2.126 12.656 -0.891 721 HG13 VAL 97 3HG1 VAL 97 3.567 13.532 -1.410 722 HG21 VAL 97 3HG2 VAL 97 3.308 14.494 -3.983 723 HG22 VAL 97 1HG2 VAL 97 2.155 13.632 -5.002 724 HG23 VAL 97 2HG2 VAL 97 1.576 14.734 -3.753 725 H THR 98 H THR 98 4.451 12.815 -5.434 726 HA THR 98 HA THR 98 6.791 13.850 -3.978 727 HB THR 98 HB THR 98 6.855 12.514 -6.691 728 HG1 THR 98 1HG THR 98 7.615 11.703 -4.089 729 HG21 THR 98 3HG2 THR 98 9.426 12.918 -5.507 730 HG22 THR 98 1HG2 THR 98 8.573 14.459 -5.569 731 HG23 THR 98 2HG2 THR 98 8.809 13.522 -7.044 732 H LYS 99 H LYS 99 6.177 15.971 -3.977 733 HA LYS 99 HA LYS 99 5.929 17.245 -6.620 734 HB2 LYS 99 1HB LYS 99 3.781 17.107 -5.208 735 HB3 LYS 99 2HB LYS 99 4.546 18.295 -4.161 736 HG2 LYS 99 1HG LYS 99 3.418 19.713 -5.511 737 HG3 LYS 99 2HG LYS 99 4.881 19.545 -6.483 738 HD2 LYS 99 1HD LYS 99 2.307 18.010 -6.839 739 HD3 LYS 99 2HD LYS 99 2.906 19.305 -7.878 740 HE2 LYS 99 1HE LYS 99 4.243 16.640 -7.411 741 HE3 LYS 99 2HE LYS 99 3.339 17.105 -8.852 742 HZ1 LYS 99 3HZ LYS 99 5.080 18.212 -9.658 743 HZ2 LYS 99 1HZ LYS 99 6.011 17.404 -8.498 744 HZ3 LYS 99 2HZ LYS 99 5.425 18.958 -8.179 745 H ASN 100 H ASN 100 6.712 19.422 -6.757 746 HA ASN 100 HA ASN 100 8.188 21.110 -6.367 747 HB2 ASN 100 1HB ASN 100 7.437 20.255 -3.628 748 HB3 ASN 100 2HB ASN 100 8.907 21.213 -3.774 749 HD21 ASN 100 1HD2 ASN 100 7.880 22.884 -2.618 750 HD22 ASN 100 2HD2 ASN 100 6.735 23.926 -3.385 751 H ARG 101 H ARG 101 9.173 18.669 -7.271 752 HA ARG 101 HA ARG 101 11.069 17.421 -7.491 753 HB2 ARG 101 1HB ARG 101 12.134 20.107 -6.645 754 HB3 ARG 101 2HB ARG 101 13.209 18.773 -7.043 755 HG2 ARG 101 1HG ARG 101 12.460 18.711 -9.282 756 HG3 ARG 101 2HG ARG 101 11.094 19.771 -8.928 757 HD2 ARG 101 1HD ARG 101 12.521 21.286 -9.864 758 HD3 ARG 101 2HD ARG 101 13.018 21.415 -8.178 759 HE ARG 101 HE ARG 101 14.625 19.469 -9.217 760 HH11 ARG 101 1HH1 ARG 101 13.922 22.779 -10.032 761 HH12 ARG 101 2HH1 ARG 101 15.490 23.085 -10.702 762 HH21 ARG 101 1HH2 ARG 101 16.694 19.858 -10.096 763 HH22 ARG 101 2HH2 ARG 101 17.066 21.422 -10.738 764 H ARG 102 H ARG 102 9.738 16.906 -5.111 765 HA ARG 102 HA ARG 102 11.894 15.829 -3.533 766 HB2 ARG 102 1HB ARG 102 11.541 16.953 -1.527 767 HB3 ARG 102 2HB ARG 102 11.407 18.240 -2.718 768 HG2 ARG 102 1HG ARG 102 9.083 18.354 -2.505 769 HG3 ARG 102 2HG ARG 102 8.992 16.782 -1.708 770 HD2 ARG 102 1HD ARG 102 8.751 18.170 0.096 771 HD3 ARG 102 2HD ARG 102 10.503 17.971 0.084 772 HE ARG 102 HE ARG 102 9.525 20.238 -1.415 773 HH11 ARG 102 1HH1 ARG 102 10.670 19.062 1.655 774 HH12 ARG 102 2HH1 ARG 102 11.150 20.627 2.222 775 HH21 ARG 102 1HH2 ARG 102 10.152 22.303 -0.680 776 HH22 ARG 102 2HH2 ARG 102 10.854 22.470 0.894 777 H SER 103 H SER 103 11.300 14.005 -2.457 778 HA SER 103 HA SER 103 8.611 13.024 -2.972 779 HB2 SER 103 1HB SER 103 9.475 10.851 -2.283 780 HB3 SER 103 2HB SER 103 10.578 11.587 -3.445 781 HG SER 103 HG SER 103 10.871 11.423 -0.631 782 H SER 104 H SER 104 7.197 12.268 -1.383 783 HA SER 104 HA SER 104 7.663 13.423 1.280 784 HB2 SER 104 1HB SER 104 5.352 13.718 1.508 785 HB3 SER 104 2HB SER 104 5.625 14.065 -0.199 786 HG SER 104 HG SER 104 4.543 11.737 0.978 787 H THR 105 H THR 105 5.981 12.112 2.867 788 HA THR 105 HA THR 105 7.229 9.510 3.104 789 HB THR 105 HB THR 105 6.917 10.978 5.089 790 HG1 THR 105 1HG THR 105 6.859 9.179 6.198 791 HG21 THR 105 3HG2 THR 105 3.999 10.364 4.621 792 HG22 THR 105 1HG2 THR 105 4.766 11.951 4.597 793 HG23 THR 105 2HG2 THR 105 4.648 11.052 6.110 794 H TRP 106 H TRP 106 5.865 7.605 3.706 795 HA TRP 106 HA TRP 106 3.686 7.368 1.784 796 HB2 TRP 106 1HB TRP 106 5.065 5.266 3.470 797 HB3 TRP 106 2HB TRP 106 3.845 4.947 2.239 798 HD1 TRP 106 HD TRP 106 7.494 6.087 2.603 799 HE1 TRP 106 1HE TRP 106 8.683 5.744 0.346 800 HE3 TRP 106 3HE TRP 106 3.462 4.758 -0.244 801 HZ2 TRP 106 2HZ TRP 106 8.001 5.008 -2.293 802 HZ3 TRP 106 3HZ TRP 106 3.815 4.250 -2.626 803 HH2 TRP 106 HH TRP 106 6.038 4.374 -3.627 804 H SER 107 H SER 107 1.827 5.880 2.536 805 HA SER 107 HA SER 107 0.897 6.868 5.151 806 HB2 SER 107 1HB SER 107 -0.472 7.746 3.366 807 HB3 SER 107 2HB SER 107 -0.673 6.138 2.669 808 HG SER 107 HG SER 107 -1.978 5.569 4.331 809 H MET 108 H MET 108 -0.944 5.376 6.021 810 HA MET 108 HA MET 108 0.045 3.091 7.034 811 HB2 MET 108 1HB MET 108 -2.332 2.242 7.160 812 HB3 MET 108 2HB MET 108 -2.067 3.853 7.812 813 HG2 MET 108 1HG MET 108 -3.202 4.883 6.099 814 HG3 MET 108 2HG MET 108 -2.944 3.545 4.982 815 HE1 MET 108 3HE MET 108 -5.584 2.149 4.399 816 HE2 MET 108 1HE MET 108 -3.972 1.581 4.835 817 HE3 MET 108 2HE MET 108 -5.385 0.963 5.690 818 H THR 109 H THR 109 0.231 0.943 6.502 819 HA THR 109 HA THR 109 0.330 0.354 3.671 820 HB THR 109 HB THR 109 1.041 -1.349 6.066 821 HG1 THR 109 1HG THR 109 3.206 -0.898 4.964 822 HG21 THR 109 3HG2 THR 109 2.339 -2.585 4.157 823 HG22 THR 109 1HG2 THR 109 1.094 -1.881 3.126 824 HG23 THR 109 2HG2 THR 109 0.639 -2.951 4.452 825 H ALA 110 H ALA 110 -0.748 -1.383 2.654 826 HA ALA 110 HA ALA 110 -3.152 -2.337 4.068 827 HB1 ALA 110 3HB ALA 110 -3.565 -0.570 2.304 828 HB2 ALA 110 1HB ALA 110 -3.061 -1.773 1.116 829 HB3 ALA 110 2HB ALA 110 -4.473 -2.072 2.131 830 H HIS 111 H HIS 111 -3.231 -4.471 4.255 831 HA HIS 111 HA HIS 111 -1.469 -6.122 2.623 832 HB2 HIS 111 1HB HIS 111 -2.989 -6.536 5.172 833 HB3 HIS 111 2HB HIS 111 -2.464 -7.935 4.239 834 HD1 HIS 111 1HD HIS 111 0.298 -6.533 3.371 835 HD2 HIS 111 2HD HIS 111 -1.173 -7.000 7.229 836 HE1 HIS 111 1HE HIS 111 2.312 -6.439 4.874 837 HE2 HIS 111 2HE HIS 111 1.407 -6.809 7.195 838 H ALA 112 H ALA 112 -2.154 -7.780 1.297 839 HA ALA 112 HA ALA 112 -4.909 -8.517 1.054 840 HB1 ALA 112 3HB ALA 112 -5.612 -7.124 -0.521 841 HB2 ALA 112 1HB ALA 112 -4.082 -6.254 -0.407 842 HB3 ALA 112 2HB ALA 112 -4.263 -7.574 -1.563 843 H THR 113 H THR 113 -4.498 -10.643 0.986 844 HA THR 113 HA THR 113 -2.248 -11.774 -0.356 845 HB THR 113 HB THR 113 -4.690 -13.330 0.466 846 HG1 THR 113 1HG THR 113 -2.845 -13.289 2.406 847 HG21 THR 113 3HG2 THR 113 -2.704 -14.894 1.154 848 HG22 THR 113 1HG2 THR 113 -1.792 -13.907 0.012 849 HG23 THR 113 2HG2 THR 113 -3.214 -14.799 -0.531 850 H THR 114 H THR 114 -2.175 -12.985 -2.243 851 HA THR 114 HA THR 114 -4.172 -12.268 -4.222 852 HB THR 114 HB THR 114 -2.612 -13.518 -5.794 853 HG1 THR 114 1HG THR 114 -0.722 -14.255 -5.013 854 HG21 THR 114 3HG2 THR 114 -1.264 -11.295 -4.271 855 HG22 THR 114 1HG2 THR 114 -2.626 -11.020 -5.357 856 HG23 THR 114 2HG2 THR 114 -1.118 -11.686 -5.985 857 H TYR 115 H TYR 115 -5.221 -13.806 -5.587 858 HA TYR 115 HA TYR 115 -6.361 -15.976 -4.198 859 HB2 TYR 115 1HB TYR 115 -6.358 -15.301 -7.145 860 HB3 TYR 115 2HB TYR 115 -7.337 -16.576 -6.428 861 HD1 TYR 115 2HD TYR 115 -9.076 -15.942 -4.707 862 HD2 TYR 115 1HD TYR 115 -7.072 -13.055 -7.107 863 HE1 TYR 115 2HE TYR 115 -10.846 -14.308 -4.209 864 HE2 TYR 115 1HE TYR 115 -8.836 -11.413 -6.614 865 HH TYR 115 HH TYR 115 -10.564 -10.960 -5.117 866 H GLU 116 H GLU 116 -5.995 -18.151 -4.255 867 HA GLU 116 HA GLU 116 -3.384 -19.061 -4.770 868 HB2 GLU 116 1HB GLU 116 -5.325 -20.022 -3.259 869 HB3 GLU 116 2HB GLU 116 -5.675 -20.976 -4.693 870 HG2 GLU 116 1HG GLU 116 -3.326 -21.777 -4.665 871 HG3 GLU 116 2HG GLU 116 -3.101 -20.925 -3.139 872 H ALA 117 H ALA 117 -2.546 -19.090 -6.758 873 HA ALA 117 HA ALA 117 -3.668 -19.084 -9.195 874 HB1 ALA 117 3HB ALA 117 -1.462 -21.000 -9.115 875 HB2 ALA 117 1HB ALA 117 -1.604 -19.465 -9.971 876 HB3 ALA 117 2HB ALA 117 -1.128 -19.488 -8.273 877 H SER 118 H SER 118 -3.073 -22.027 -7.294 878 HA SER 118 HA SER 118 -4.797 -23.503 -9.170 879 HB2 SER 118 1HB SER 118 -2.815 -24.644 -7.187 880 HB3 SER 118 2HB SER 118 -3.696 -25.532 -8.430 881 HG SER 118 HG SER 118 -1.378 -24.689 -8.779 882 H GLY 119 H GLY 119 -6.746 -22.806 -8.199 883 HA2 GLY 119 1HA GLY 119 -7.570 -24.457 -5.989 884 HA3 GLY 119 2HA GLY 119 -7.489 -22.750 -5.581 885 HA PRO 120 HA PRO 120 -11.152 -23.848 -8.616 886 HB2 PRO 120 1HB PRO 120 -12.598 -25.865 -7.514 887 HB3 PRO 120 2HB PRO 120 -11.318 -26.138 -8.703 888 HG2 PRO 120 1HG PRO 120 -11.219 -26.390 -5.722 889 HG3 PRO 120 2HG PRO 120 -10.541 -27.464 -6.959 890 HD2 PRO 120 1HD PRO 120 -9.036 -25.661 -5.611 891 HD3 PRO 120 2HD PRO 120 -8.695 -26.124 -7.291 892 H SER 121 H SER 121 -10.639 -23.071 -5.463 893 HA SER 121 HA SER 121 -12.927 -22.930 -4.061 894 HB2 SER 121 1HB SER 121 -10.605 -21.802 -3.639 895 HB3 SER 121 2HB SER 121 -11.365 -20.384 -4.362 896 HG SER 121 HG SER 121 -12.051 -21.753 -1.995 897 H SER 122 H SER 122 -14.897 -22.043 -4.200 898 HA SER 122 HA SER 122 -15.859 -21.018 -6.628 899 HB2 SER 122 1HB SER 122 -17.946 -20.853 -5.579 900 HB3 SER 122 2HB SER 122 -17.141 -22.123 -4.657 901 HG SER 122 HG SER 122 -18.233 -20.109 -3.605 902 H GLY 123 H GLY 123 -17.275 -18.857 -6.466 903 HA2 GLY 123 1HA GLY 123 -16.274 -16.672 -5.008 904 HA3 GLY 123 2HA GLY 123 -15.446 -16.731 -6.557 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -9.516 -5.127 42.052 2 HA2 GLY 1 1HA GLY 1 -11.781 -5.544 40.350 3 HA3 GLY 1 2HA GLY 1 -11.579 -3.850 40.771 4 H SER 2 H SER 2 -11.444 -4.653 38.151 5 HA SER 2 HA SER 2 -8.573 -4.651 37.521 6 HB2 SER 2 1HB SER 2 -10.933 -5.291 35.735 7 HB3 SER 2 2HB SER 2 -9.235 -5.385 35.269 8 HG SER 2 HG SER 2 -10.695 -7.253 36.419 9 H SER 3 H SER 3 -7.970 -2.546 37.581 10 HA SER 3 HA SER 3 -9.615 -0.530 36.267 11 HB2 SER 3 1HB SER 3 -7.978 1.079 37.204 12 HB3 SER 3 2HB SER 3 -8.676 0.041 38.446 13 HG SER 3 HG SER 3 -6.112 -0.140 37.258 14 H GLY 4 H GLY 4 -6.375 -1.949 36.017 15 HA2 GLY 4 1HA GLY 4 -5.215 -0.453 34.059 16 HA3 GLY 4 2HA GLY 4 -5.022 -2.197 34.165 17 H SER 5 H SER 5 -6.375 0.404 32.412 18 HA SER 5 HA SER 5 -7.519 -1.507 30.490 19 HB2 SER 5 1HB SER 5 -9.282 -0.281 31.841 20 HB3 SER 5 2HB SER 5 -8.729 1.202 31.064 21 HG SER 5 HG SER 5 -9.950 0.667 29.455 22 H SER 6 H SER 6 -6.452 -1.389 28.641 23 HA SER 6 HA SER 6 -5.688 1.233 27.590 24 HB2 SER 6 1HB SER 6 -3.835 -0.997 28.285 25 HB3 SER 6 2HB SER 6 -3.503 -0.082 26.815 26 HG SER 6 HG SER 6 -3.694 0.889 29.469 27 H GLY 7 H GLY 7 -4.799 0.932 25.264 28 HA2 GLY 7 1HA GLY 7 -6.281 -1.232 23.914 29 HA3 GLY 7 2HA GLY 7 -6.440 0.433 23.375 30 H PHE 8 H PHE 8 -5.261 0.916 21.660 31 HA PHE 8 HA PHE 8 -2.638 -0.382 21.347 32 HB2 PHE 8 1HB PHE 8 -4.441 -1.319 19.825 33 HB3 PHE 8 2HB PHE 8 -4.481 0.257 19.044 34 HD1 PHE 8 1HD PHE 8 -2.020 -2.364 20.034 35 HD2 PHE 8 2HD PHE 8 -3.181 0.571 17.179 36 HE1 PHE 8 1HE PHE 8 -0.155 -3.044 18.581 37 HE2 PHE 8 2HE PHE 8 -1.319 -0.105 15.721 38 HZ PHE 8 HZ PHE 8 0.197 -1.915 16.421 39 HA PRO 9 HA PRO 9 -1.586 3.986 21.238 40 HB2 PRO 9 1HB PRO 9 1.092 3.579 21.420 41 HB3 PRO 9 2HB PRO 9 0.013 3.510 22.818 42 HG2 PRO 9 1HG PRO 9 1.146 1.270 21.187 43 HG3 PRO 9 2HG PRO 9 0.980 1.400 22.948 44 HD2 PRO 9 1HD PRO 9 -0.748 -0.022 21.423 45 HD3 PRO 9 2HD PRO 9 -1.248 0.813 22.908 46 H THR 10 H THR 10 0.467 5.039 20.011 47 HA THR 10 HA THR 10 -0.111 4.830 17.266 48 HB THR 10 HB THR 10 2.432 5.995 18.397 49 HG1 THR 10 1HG THR 10 0.933 7.974 18.294 50 HG21 THR 10 3HG2 THR 10 0.797 7.007 16.089 51 HG22 THR 10 1HG2 THR 10 2.010 5.745 15.874 52 HG23 THR 10 2HG2 THR 10 2.487 7.334 16.474 53 H SER 11 H SER 11 0.673 3.569 15.698 54 HA SER 11 HA SER 11 2.433 1.410 16.353 55 HB2 SER 11 1HB SER 11 0.884 2.266 13.958 56 HB3 SER 11 2HB SER 11 2.256 1.189 13.694 57 HG SER 11 HG SER 11 1.281 -0.170 15.355 58 H VAL 12 H VAL 12 2.734 3.579 13.556 59 HA VAL 12 HA VAL 12 5.627 3.738 14.106 60 HB VAL 12 HB VAL 12 5.957 4.054 11.685 61 HG11 VAL 12 1HG1 VAL 12 5.537 1.749 11.016 62 HG12 VAL 12 2HG1 VAL 12 6.139 1.820 12.674 63 HG13 VAL 12 3HG1 VAL 12 4.423 1.548 12.368 64 HG21 VAL 12 3HG2 VAL 12 4.128 4.870 10.639 65 HG22 VAL 12 1HG2 VAL 12 3.766 3.161 10.398 66 HG23 VAL 12 2HG2 VAL 12 3.007 4.045 11.722 67 HA PRO 13 HA PRO 13 5.186 8.105 14.472 68 HB2 PRO 13 1HB PRO 13 7.741 8.837 13.919 69 HB3 PRO 13 2HB PRO 13 7.268 8.080 15.445 70 HG2 PRO 13 1HG PRO 13 8.527 6.843 13.027 71 HG3 PRO 13 2HG PRO 13 8.903 6.584 14.741 72 HD2 PRO 13 1HD PRO 13 7.394 4.855 13.303 73 HD3 PRO 13 2HD PRO 13 7.138 5.132 15.038 74 H ASP 14 H ASP 14 5.650 10.137 13.236 75 HA ASP 14 HA ASP 14 5.452 9.631 10.340 76 HB2 ASP 14 1HB ASP 14 4.247 11.880 10.313 77 HB3 ASP 14 2HB ASP 14 3.377 10.529 11.035 78 H LEU 15 H LEU 15 6.348 11.263 8.923 79 HA LEU 15 HA LEU 15 8.856 12.296 9.969 80 HB2 LEU 15 1HB LEU 15 7.727 12.104 7.185 81 HB3 LEU 15 2HB LEU 15 9.280 12.850 7.555 82 HG LEU 15 HG LEU 15 9.884 10.566 8.590 83 HD11 LEU 15 1HD1 LEU 15 8.536 8.861 6.976 84 HD12 LEU 15 2HD1 LEU 15 7.269 10.021 7.371 85 HD13 LEU 15 3HD1 LEU 15 8.123 9.175 8.661 86 HD21 LEU 15 3HD2 LEU 15 10.494 11.689 6.269 87 HD22 LEU 15 1HD2 LEU 15 9.565 10.324 5.649 88 HD23 LEU 15 2HD2 LEU 15 10.979 10.039 6.664 89 H SER 16 H SER 16 9.556 14.472 9.609 90 HA SER 16 HA SER 16 7.355 16.378 9.841 91 HB2 SER 16 1HB SER 16 10.291 16.502 10.501 92 HB3 SER 16 2HB SER 16 9.302 17.961 10.439 93 HG SER 16 HG SER 16 8.506 17.447 12.307 94 H THR 17 H THR 17 6.824 16.243 7.561 95 HA THR 17 HA THR 17 8.556 17.994 5.951 96 HB THR 17 HB THR 17 7.903 16.675 3.928 97 HG1 THR 17 1HG THR 17 7.099 14.542 4.335 98 HG21 THR 17 3HG2 THR 17 10.039 16.100 4.433 99 HG22 THR 17 1HG2 THR 17 9.290 14.551 4.815 100 HG23 THR 17 2HG2 THR 17 9.651 15.697 6.105 101 HA PRO 18 HA PRO 18 4.904 20.337 5.228 102 HB2 PRO 18 1HB PRO 18 5.572 21.516 2.875 103 HB3 PRO 18 2HB PRO 18 6.290 21.982 4.422 104 HG2 PRO 18 1HG PRO 18 7.388 20.194 2.287 105 HG3 PRO 18 2HG PRO 18 8.213 21.451 3.226 106 HD2 PRO 18 1HD PRO 18 8.435 18.816 3.809 107 HD3 PRO 18 2HD PRO 18 8.492 20.078 5.057 108 H MET 19 H MET 19 5.632 17.587 3.593 109 HA MET 19 HA MET 19 3.585 17.876 1.532 110 HB2 MET 19 1HB MET 19 5.699 15.828 2.115 111 HB3 MET 19 2HB MET 19 4.352 15.434 1.056 112 HG2 MET 19 1HG MET 19 6.284 17.706 0.655 113 HG3 MET 19 2HG MET 19 6.325 16.158 -0.186 114 HE1 MET 19 3HE MET 19 4.784 15.237 -1.522 115 HE2 MET 19 1HE MET 19 3.134 15.807 -1.775 116 HE3 MET 19 2HE MET 19 4.395 16.216 -2.938 117 H LEU 20 H LEU 20 1.985 16.110 1.272 118 HA LEU 20 HA LEU 20 1.239 14.799 3.782 119 HB2 LEU 20 1HB LEU 20 0.047 17.082 3.253 120 HB3 LEU 20 2HB LEU 20 -0.906 16.083 2.158 121 HG LEU 20 HG LEU 20 -2.106 16.328 4.214 122 HD11 LEU 20 1HD1 LEU 20 -2.727 14.171 4.395 123 HD12 LEU 20 2HD1 LEU 20 -1.079 13.605 4.667 124 HD13 LEU 20 3HD1 LEU 20 -1.629 13.960 3.030 125 HD21 LEU 20 3HD2 LEU 20 0.489 16.218 5.377 126 HD22 LEU 20 1HD2 LEU 20 -0.500 14.943 6.088 127 HD23 LEU 20 2HD2 LEU 20 -1.050 16.618 6.142 128 HA PRO 21 HA PRO 21 0.911 11.618 0.612 129 HB2 PRO 21 1HB PRO 21 0.802 9.559 2.377 130 HB3 PRO 21 2HB PRO 21 2.314 10.345 1.911 131 HG2 PRO 21 1HG PRO 21 0.638 10.759 4.357 132 HG3 PRO 21 2HG PRO 21 2.401 10.631 4.217 133 HD2 PRO 21 1HD PRO 21 1.128 13.008 4.461 134 HD3 PRO 21 2HD PRO 21 2.633 12.821 3.537 135 HA PRO 22 HA PRO 22 -3.378 10.654 0.512 136 HB2 PRO 22 1HB PRO 22 -3.413 8.073 -0.327 137 HB3 PRO 22 2HB PRO 22 -2.978 9.421 -1.385 138 HG2 PRO 22 1HG PRO 22 -1.198 7.508 0.076 139 HG3 PRO 22 2HG PRO 22 -1.065 8.115 -1.585 140 HD2 PRO 22 1HD PRO 22 0.417 9.108 0.451 141 HD3 PRO 22 2HD PRO 22 -0.117 10.106 -0.916 142 H VAL 23 H VAL 23 -5.061 9.025 1.253 143 HA VAL 23 HA VAL 23 -4.252 7.681 3.741 144 HB VAL 23 HB VAL 23 -6.274 8.461 4.867 145 HG11 VAL 23 1HG1 VAL 23 -4.549 9.840 5.472 146 HG12 VAL 23 2HG1 VAL 23 -4.282 10.412 3.824 147 HG13 VAL 23 3HG1 VAL 23 -5.651 11.017 4.758 148 HG21 VAL 23 3HG2 VAL 23 -7.382 8.852 2.495 149 HG22 VAL 23 1HG2 VAL 23 -7.905 9.749 3.921 150 HG23 VAL 23 2HG2 VAL 23 -6.802 10.495 2.764 151 H GLY 24 H GLY 24 -6.463 6.521 4.578 152 HA2 GLY 24 1HA GLY 24 -7.573 4.520 4.199 153 HA3 GLY 24 2HA GLY 24 -8.412 5.514 3.018 154 H VAL 25 H VAL 25 -5.264 3.854 3.282 155 HA VAL 25 HA VAL 25 -5.276 3.273 0.452 156 HB VAL 25 HB VAL 25 -3.337 2.358 2.581 157 HG11 VAL 25 1HG1 VAL 25 -1.958 2.422 0.243 158 HG12 VAL 25 2HG1 VAL 25 -2.699 0.975 0.928 159 HG13 VAL 25 3HG1 VAL 25 -3.548 1.899 -0.311 160 HG21 VAL 25 3HG2 VAL 25 -3.768 4.937 1.503 161 HG22 VAL 25 1HG2 VAL 25 -2.469 4.401 2.569 162 HG23 VAL 25 2HG2 VAL 25 -2.262 4.325 0.819 163 H GLN 26 H GLN 26 -6.499 1.673 -0.299 164 HA GLN 26 HA GLN 26 -6.758 -0.776 1.315 165 HB2 GLN 26 1HB GLN 26 -8.907 0.235 0.987 166 HB3 GLN 26 2HB GLN 26 -8.611 0.439 -0.734 167 HG2 GLN 26 1HG GLN 26 -9.997 -1.384 -0.715 168 HG3 GLN 26 2HG GLN 26 -8.409 -2.149 -0.738 169 HE21 GLN 26 1HE2 GLN 26 -9.227 -4.035 0.177 170 HE22 GLN 26 2HE2 GLN 26 -9.660 -4.131 1.846 171 H ALA 27 H ALA 27 -6.305 -2.744 0.421 172 HA ALA 27 HA ALA 27 -5.130 -2.700 -2.282 173 HB1 ALA 27 3HB ALA 27 -4.387 -4.308 0.148 174 HB2 ALA 27 1HB ALA 27 -3.822 -4.708 -1.475 175 HB3 ALA 27 2HB ALA 27 -3.394 -3.159 -0.748 176 H VAL 28 H VAL 28 -6.637 -3.467 -3.637 177 HA VAL 28 HA VAL 28 -8.335 -5.698 -2.814 178 HB VAL 28 HB VAL 28 -8.443 -4.173 -5.416 179 HG11 VAL 28 1HG1 VAL 28 -10.131 -5.513 -5.960 180 HG12 VAL 28 2HG1 VAL 28 -9.727 -6.500 -4.554 181 HG13 VAL 28 3HG1 VAL 28 -10.933 -5.220 -4.417 182 HG21 VAL 28 3HG2 VAL 28 -9.508 -3.514 -2.718 183 HG22 VAL 28 1HG2 VAL 28 -8.894 -2.450 -3.983 184 HG23 VAL 28 2HG2 VAL 28 -10.507 -3.149 -4.125 185 H ALA 29 H ALA 29 -8.162 -7.719 -3.598 186 HA ALA 29 HA ALA 29 -5.894 -8.290 -5.353 187 HB1 ALA 29 3HB ALA 29 -6.024 -9.527 -3.257 188 HB2 ALA 29 1HB ALA 29 -7.604 -10.160 -3.717 189 HB3 ALA 29 2HB ALA 29 -6.170 -10.612 -4.640 190 H LEU 30 H LEU 30 -6.347 -8.269 -7.458 191 HA LEU 30 HA LEU 30 -8.982 -8.857 -8.459 192 HB2 LEU 30 1HB LEU 30 -6.456 -8.474 -10.048 193 HB3 LEU 30 2HB LEU 30 -8.117 -8.297 -10.611 194 HG LEU 30 HG LEU 30 -6.952 -6.501 -8.500 195 HD11 LEU 30 1HD1 LEU 30 -5.727 -6.610 -10.826 196 HD12 LEU 30 2HD1 LEU 30 -6.067 -5.067 -10.043 197 HD13 LEU 30 3HD1 LEU 30 -7.109 -5.643 -11.344 198 HD21 LEU 30 3HD2 LEU 30 -9.005 -5.665 -8.485 199 HD22 LEU 30 1HD2 LEU 30 -9.506 -6.816 -9.724 200 HD23 LEU 30 2HD2 LEU 30 -8.839 -5.251 -10.192 201 H THR 31 H THR 31 -5.757 -10.293 -8.968 202 HA THR 31 HA THR 31 -6.988 -12.932 -9.128 203 HB THR 31 HB THR 31 -6.729 -11.830 -11.480 204 HG1 THR 31 1HG THR 31 -6.069 -13.980 -12.273 205 HG21 THR 31 3HG2 THR 31 -4.677 -11.496 -12.322 206 HG22 THR 31 1HG2 THR 31 -4.067 -13.016 -11.669 207 HG23 THR 31 2HG2 THR 31 -4.117 -11.576 -10.652 208 H HIS 32 H HIS 32 -5.119 -14.611 -9.518 209 HA HIS 32 HA HIS 32 -3.526 -14.745 -7.319 210 HB2 HIS 32 1HB HIS 32 -2.059 -16.295 -8.635 211 HB3 HIS 32 2HB HIS 32 -3.778 -16.663 -8.743 212 HD1 HIS 32 1HD HIS 32 -4.952 -15.615 -11.009 213 HD2 HIS 32 2HD HIS 32 -0.832 -16.155 -11.042 214 HE1 HIS 32 1HE HIS 32 -4.292 -15.605 -13.436 215 HE2 HIS 32 2HE HIS 32 -1.807 -16.018 -13.434 216 H ASP 33 H ASP 33 -2.610 -13.369 -10.462 217 HA ASP 33 HA ASP 33 -0.289 -12.119 -9.143 218 HB2 ASP 33 1HB ASP 33 0.727 -12.007 -11.415 219 HB3 ASP 33 2HB ASP 33 0.438 -13.655 -10.863 220 H ALA 34 H ALA 34 -2.788 -10.936 -8.919 221 HA ALA 34 HA ALA 34 -2.274 -8.399 -10.225 222 HB1 ALA 34 3HB ALA 34 -4.413 -8.174 -11.263 223 HB2 ALA 34 1HB ALA 34 -3.698 -9.687 -11.822 224 HB3 ALA 34 2HB ALA 34 -4.962 -9.709 -10.591 225 H VAL 35 H VAL 35 -2.727 -6.757 -8.894 226 HA VAL 35 HA VAL 35 -4.744 -7.103 -6.802 227 HB VAL 35 HB VAL 35 -1.838 -6.531 -6.337 228 HG11 VAL 35 1HG1 VAL 35 -2.620 -5.845 -3.981 229 HG12 VAL 35 2HG1 VAL 35 -2.713 -4.650 -5.277 230 HG13 VAL 35 3HG1 VAL 35 -4.167 -5.502 -4.756 231 HG21 VAL 35 3HG2 VAL 35 -2.434 -8.010 -4.309 232 HG22 VAL 35 1HG2 VAL 35 -3.910 -8.375 -5.204 233 HG23 VAL 35 2HG2 VAL 35 -2.336 -8.763 -5.900 234 H ARG 36 H ARG 36 -6.108 -5.473 -7.084 235 HA ARG 36 HA ARG 36 -5.220 -2.981 -8.272 236 HB2 ARG 36 1HB ARG 36 -7.296 -3.789 -9.101 237 HB3 ARG 36 2HB ARG 36 -7.922 -4.054 -7.480 238 HG2 ARG 36 1HG ARG 36 -9.003 -2.131 -8.295 239 HG3 ARG 36 2HG ARG 36 -7.788 -1.556 -7.152 240 HD2 ARG 36 1HD ARG 36 -7.405 -0.120 -8.888 241 HD3 ARG 36 2HD ARG 36 -6.303 -1.425 -9.325 242 HE ARG 36 HE ARG 36 -7.564 -1.790 -11.187 243 HH11 ARG 36 1HH1 ARG 36 -9.485 -0.041 -8.870 244 HH12 ARG 36 2HH1 ARG 36 -10.824 0.175 -9.948 245 HH21 ARG 36 1HH2 ARG 36 -9.321 -1.512 -12.616 246 HH22 ARG 36 2HH2 ARG 36 -10.730 -0.663 -12.078 247 H VAL 37 H VAL 37 -4.152 -1.684 -6.898 248 HA VAL 37 HA VAL 37 -5.051 -1.405 -4.140 249 HB VAL 37 HB VAL 37 -2.696 -0.121 -5.530 250 HG11 VAL 37 1HG1 VAL 37 -1.958 0.611 -3.424 251 HG12 VAL 37 2HG1 VAL 37 -3.678 1.006 -3.465 252 HG13 VAL 37 3HG1 VAL 37 -3.118 -0.407 -2.570 253 HG21 VAL 37 3HG2 VAL 37 -1.850 -1.987 -3.610 254 HG22 VAL 37 1HG2 VAL 37 -3.103 -2.788 -4.559 255 HG23 VAL 37 2HG2 VAL 37 -1.693 -2.098 -5.363 256 H SER 38 H SER 38 -6.643 -0.018 -3.751 257 HA SER 38 HA SER 38 -6.646 2.549 -5.200 258 HB2 SER 38 1HB SER 38 -9.070 2.574 -5.077 259 HB3 SER 38 2HB SER 38 -8.550 1.061 -5.820 260 HG SER 38 HG SER 38 -10.173 0.776 -4.200 261 H TRP 39 H TRP 39 -6.665 4.365 -4.015 262 HA TRP 39 HA TRP 39 -7.216 4.140 -1.133 263 HB2 TRP 39 1HB TRP 39 -5.376 5.766 -0.727 264 HB3 TRP 39 2HB TRP 39 -4.811 4.230 -1.378 265 HD1 TRP 39 HD TRP 39 -4.858 7.924 -2.097 266 HE1 TRP 39 1HE TRP 39 -3.567 8.393 -4.274 267 HE3 TRP 39 3HE TRP 39 -4.294 3.122 -3.757 268 HZ2 TRP 39 2HZ TRP 39 -2.457 6.922 -6.412 269 HZ3 TRP 39 3HZ TRP 39 -3.106 2.739 -5.878 270 HH2 TRP 39 HH TRP 39 -2.208 4.601 -7.177 271 H ALA 40 H ALA 40 -7.256 6.541 -0.211 272 HA ALA 40 HA ALA 40 -9.035 8.074 -1.993 273 HB1 ALA 40 3HB ALA 40 -9.422 7.121 0.676 274 HB2 ALA 40 1HB ALA 40 -9.472 8.884 0.665 275 HB3 ALA 40 2HB ALA 40 -10.554 7.963 -0.381 276 H ASP 41 H ASP 41 -9.120 10.446 -1.447 277 HA ASP 41 HA ASP 41 -6.444 11.425 -0.692 278 HB2 ASP 41 1HB ASP 41 -6.889 13.310 -2.324 279 HB3 ASP 41 2HB ASP 41 -6.618 11.728 -3.048 280 H ASN 42 H ASN 42 -6.349 13.029 0.773 281 HA ASN 42 HA ASN 42 -8.853 14.392 1.500 282 HB2 ASN 42 1HB ASN 42 -6.920 12.936 3.265 283 HB3 ASN 42 2HB ASN 42 -7.785 14.332 3.903 284 HD21 ASN 42 1HD2 ASN 42 -8.438 12.394 5.311 285 HD22 ASN 42 2HD2 ASN 42 -9.905 11.605 4.853 286 H SER 43 H SER 43 -5.322 14.436 1.976 287 HA SER 43 HA SER 43 -4.811 16.889 2.903 288 HB2 SER 43 1HB SER 43 -2.722 16.889 1.731 289 HB3 SER 43 2HB SER 43 -3.116 15.205 2.076 290 HG SER 43 HG SER 43 -4.043 15.198 -0.117 291 H VAL 44 H VAL 44 -6.122 16.183 -0.252 292 HA VAL 44 HA VAL 44 -5.745 18.768 -1.377 293 HB VAL 44 HB VAL 44 -6.155 16.743 -2.744 294 HG11 VAL 44 1HG1 VAL 44 -8.231 15.673 -2.868 295 HG12 VAL 44 2HG1 VAL 44 -7.968 15.907 -1.139 296 HG13 VAL 44 3HG1 VAL 44 -9.057 16.979 -2.020 297 HG21 VAL 44 3HG2 VAL 44 -6.527 19.003 -3.650 298 HG22 VAL 44 1HG2 VAL 44 -7.597 17.806 -4.379 299 HG23 VAL 44 2HG2 VAL 44 -8.215 18.911 -3.151 300 HA PRO 45 HA PRO 45 -8.924 20.912 0.845 301 HB2 PRO 45 1HB PRO 45 -8.910 23.169 -0.664 302 HB3 PRO 45 2HB PRO 45 -7.651 22.797 0.520 303 HG2 PRO 45 1HG PRO 45 -7.625 22.427 -2.450 304 HG3 PRO 45 2HG PRO 45 -6.349 23.051 -1.389 305 HD2 PRO 45 1HD PRO 45 -6.355 20.509 -2.323 306 HD3 PRO 45 2HD PRO 45 -5.688 20.942 -0.735 307 H LYS 46 H LYS 46 -11.038 21.870 0.440 308 HA LYS 46 HA LYS 46 -12.736 20.342 -1.070 309 HB2 LYS 46 1HB LYS 46 -14.372 22.178 -0.867 310 HB3 LYS 46 2HB LYS 46 -13.540 21.860 0.650 311 HG2 LYS 46 1HG LYS 46 -11.975 23.765 -0.010 312 HG3 LYS 46 2HG LYS 46 -13.188 24.170 -1.228 313 HD2 LYS 46 1HD LYS 46 -14.881 24.242 0.626 314 HD3 LYS 46 2HD LYS 46 -13.542 24.084 1.765 315 HE2 LYS 46 1HE LYS 46 -13.770 26.364 1.696 316 HE3 LYS 46 2HE LYS 46 -12.577 26.121 0.421 317 HZ1 LYS 46 3HZ LYS 46 -15.217 25.919 -0.604 318 HZ2 LYS 46 1HZ LYS 46 -13.966 26.957 -1.071 319 HZ3 LYS 46 2HZ LYS 46 -15.003 27.397 0.191 320 H ASN 47 H ASN 47 -11.103 23.330 -2.035 321 HA ASN 47 HA ASN 47 -11.761 22.685 -4.829 322 HB2 ASN 47 1HB ASN 47 -13.135 24.602 -3.896 323 HB3 ASN 47 2HB ASN 47 -11.629 25.505 -3.755 324 HD21 ASN 47 1HD2 ASN 47 -11.419 26.899 -5.334 325 HD22 ASN 47 2HD2 ASN 47 -11.868 26.653 -6.985 326 H GLN 48 H GLN 48 -10.067 22.661 -6.173 327 HA GLN 48 HA GLN 48 -7.468 23.480 -5.107 328 HB2 GLN 48 1HB GLN 48 -8.280 21.667 -7.372 329 HB3 GLN 48 2HB GLN 48 -6.619 22.199 -7.149 330 HG2 GLN 48 1HG GLN 48 -6.329 20.960 -5.242 331 HG3 GLN 48 2HG GLN 48 -8.051 20.941 -4.864 332 HE21 GLN 48 1HE2 GLN 48 -9.429 19.630 -6.259 333 HE22 GLN 48 2HE2 GLN 48 -8.789 18.173 -6.931 334 H LYS 49 H LYS 49 -8.697 25.706 -5.626 335 HA LYS 49 HA LYS 49 -8.856 26.707 -8.202 336 HB2 LYS 49 1HB LYS 49 -8.980 28.827 -7.252 337 HB3 LYS 49 2HB LYS 49 -9.500 27.785 -5.934 338 HG2 LYS 49 1HG LYS 49 -6.635 28.607 -6.189 339 HG3 LYS 49 2HG LYS 49 -7.826 29.678 -5.446 340 HD2 LYS 49 1HD LYS 49 -7.445 26.822 -4.577 341 HD3 LYS 49 2HD LYS 49 -6.529 28.159 -3.878 342 HE2 LYS 49 1HE LYS 49 -8.658 29.246 -3.258 343 HE3 LYS 49 2HE LYS 49 -9.531 27.851 -3.890 344 HZ1 LYS 49 3HZ LYS 49 -9.076 26.654 -2.076 345 HZ2 LYS 49 1HZ LYS 49 -8.720 28.135 -1.339 346 HZ3 LYS 49 2HZ LYS 49 -7.474 27.189 -1.983 347 H THR 50 H THR 50 -6.080 25.833 -6.407 348 HA THR 50 HA THR 50 -4.271 27.471 -7.993 349 HB THR 50 HB THR 50 -2.508 26.693 -6.593 350 HG1 THR 50 1HG THR 50 -3.051 25.009 -4.979 351 HG21 THR 50 3HG2 THR 50 -4.744 27.977 -5.578 352 HG22 THR 50 1HG2 THR 50 -3.158 27.882 -4.812 353 HG23 THR 50 2HG2 THR 50 -4.411 26.711 -4.396 354 H SER 51 H SER 51 -2.627 26.610 -9.323 355 HA SER 51 HA SER 51 -3.303 23.978 -10.449 356 HB2 SER 51 1HB SER 51 -3.318 26.165 -11.863 357 HB3 SER 51 2HB SER 51 -1.563 25.998 -11.836 358 HG SER 51 HG SER 51 -2.202 23.685 -12.517 359 H GLU 52 H GLU 52 -2.095 22.865 -8.816 360 HA GLU 52 HA GLU 52 0.824 23.094 -9.146 361 HB2 GLU 52 1HB GLU 52 -0.886 22.549 -6.767 362 HB3 GLU 52 2HB GLU 52 0.682 21.760 -6.852 363 HG2 GLU 52 1HG GLU 52 0.993 23.745 -5.625 364 HG3 GLU 52 2HG GLU 52 1.691 24.029 -7.219 365 H VAL 53 H VAL 53 1.840 21.424 -10.034 366 HA VAL 53 HA VAL 53 0.371 19.045 -10.734 367 HB VAL 53 HB VAL 53 3.319 19.517 -11.155 368 HG11 VAL 53 1HG1 VAL 53 3.295 17.682 -12.435 369 HG12 VAL 53 2HG1 VAL 53 1.775 17.303 -11.622 370 HG13 VAL 53 3HG1 VAL 53 1.760 18.115 -13.188 371 HG21 VAL 53 3HG2 VAL 53 1.111 20.989 -12.244 372 HG22 VAL 53 1HG2 VAL 53 2.840 21.206 -12.516 373 HG23 VAL 53 2HG2 VAL 53 1.922 20.088 -13.525 374 H ARG 54 H ARG 54 0.647 16.996 -9.960 375 HA ARG 54 HA ARG 54 2.707 16.467 -7.972 376 HB2 ARG 54 1HB ARG 54 0.891 15.433 -6.473 377 HB3 ARG 54 2HB ARG 54 1.069 17.183 -6.461 378 HG2 ARG 54 1HG ARG 54 -1.226 16.860 -6.552 379 HG3 ARG 54 2HG ARG 54 -0.788 17.186 -8.230 380 HD2 ARG 54 1HD ARG 54 -1.141 15.014 -8.887 381 HD3 ARG 54 2HD ARG 54 -0.822 14.364 -7.279 382 HE ARG 54 HE ARG 54 -3.048 14.559 -6.814 383 HH11 ARG 54 1HH1 ARG 54 -2.291 16.592 -9.538 384 HH12 ARG 54 2HH1 ARG 54 -3.942 17.014 -9.847 385 HH21 ARG 54 1HH2 ARG 54 -5.226 15.108 -7.211 386 HH22 ARG 54 2HH2 ARG 54 -5.611 16.171 -8.523 387 H LEU 55 H LEU 55 3.135 14.259 -7.660 388 HA LEU 55 HA LEU 55 1.757 12.438 -9.520 389 HB2 LEU 55 1HB LEU 55 3.854 12.893 -10.514 390 HB3 LEU 55 2HB LEU 55 4.698 12.734 -8.975 391 HG LEU 55 HG LEU 55 3.764 10.249 -9.168 392 HD11 LEU 55 1HD1 LEU 55 3.557 9.432 -11.334 393 HD12 LEU 55 2HD1 LEU 55 4.299 10.863 -12.050 394 HD13 LEU 55 3HD1 LEU 55 2.668 10.955 -11.386 395 HD21 LEU 55 3HD2 LEU 55 6.091 10.823 -8.884 396 HD22 LEU 55 1HD2 LEU 55 6.204 11.337 -10.567 397 HD23 LEU 55 2HD2 LEU 55 5.933 9.638 -10.181 398 H TYR 56 H TYR 56 1.285 10.417 -8.781 399 HA TYR 56 HA TYR 56 1.881 9.908 -5.945 400 HB2 TYR 56 1HB TYR 56 -0.451 9.200 -7.696 401 HB3 TYR 56 2HB TYR 56 -0.105 8.245 -6.258 402 HD1 TYR 56 1HD TYR 56 0.142 11.923 -6.834 403 HD2 TYR 56 2HD TYR 56 -1.761 8.762 -4.716 404 HE1 TYR 56 1HE TYR 56 -1.053 13.574 -5.458 405 HE2 TYR 56 2HE TYR 56 -2.963 10.404 -3.335 406 HH TYR 56 HH TYR 56 -3.047 13.736 -4.094 407 H THR 57 H THR 57 2.997 8.147 -5.363 408 HA THR 57 HA THR 57 3.715 6.228 -7.481 409 HB THR 57 HB THR 57 5.306 6.630 -4.959 410 HG1 THR 57 1HG THR 57 5.464 8.083 -7.403 411 HG21 THR 57 3HG2 THR 57 5.784 4.629 -6.266 412 HG22 THR 57 1HG2 THR 57 7.132 5.762 -6.364 413 HG23 THR 57 2HG2 THR 57 6.008 5.610 -7.715 414 H VAL 58 H VAL 58 3.929 4.002 -6.907 415 HA VAL 58 HA VAL 58 2.626 3.208 -4.398 416 HB VAL 58 HB VAL 58 1.936 2.087 -7.118 417 HG11 VAL 58 1HG1 VAL 58 0.636 0.473 -6.101 418 HG12 VAL 58 2HG1 VAL 58 2.030 0.543 -5.021 419 HG13 VAL 58 3HG1 VAL 58 0.531 1.364 -4.583 420 HG21 VAL 58 3HG2 VAL 58 0.964 4.364 -5.925 421 HG22 VAL 58 1HG2 VAL 58 0.139 3.416 -7.162 422 HG23 VAL 58 2HG2 VAL 58 -0.216 3.140 -5.457 423 H ARG 59 H ARG 59 3.814 1.776 -3.334 424 HA ARG 59 HA ARG 59 5.638 0.043 -4.869 425 HB2 ARG 59 1HB ARG 59 7.330 0.301 -3.272 426 HB3 ARG 59 2HB ARG 59 6.679 1.924 -3.455 427 HG2 ARG 59 1HG ARG 59 5.169 1.211 -1.436 428 HG3 ARG 59 2HG ARG 59 6.459 0.038 -1.166 429 HD2 ARG 59 1HD ARG 59 7.226 2.864 -1.662 430 HD3 ARG 59 2HD ARG 59 6.511 2.468 -0.100 431 HE ARG 59 HE ARG 59 9.123 1.718 -1.058 432 HH11 ARG 59 1HH1 ARG 59 6.560 1.001 1.186 433 HH12 ARG 59 2HH1 ARG 59 7.594 0.176 2.305 434 HH21 ARG 59 1HH2 ARG 59 10.494 0.635 0.407 435 HH22 ARG 59 2HH2 ARG 59 9.832 -0.030 1.862 436 H TRP 60 H TRP 60 6.307 -1.933 -3.594 437 HA TRP 60 HA TRP 60 4.631 -2.881 -1.500 438 HB2 TRP 60 1HB TRP 60 3.517 -4.694 -2.773 439 HB3 TRP 60 2HB TRP 60 2.988 -3.091 -3.277 440 HD1 TRP 60 HD TRP 60 4.729 -6.201 -4.555 441 HE1 TRP 60 1HE TRP 60 5.123 -5.970 -7.088 442 HE3 TRP 60 3HE TRP 60 3.458 -1.282 -5.129 443 HZ2 TRP 60 2HZ TRP 60 4.922 -3.967 -9.068 444 HZ3 TRP 60 3HZ TRP 60 3.587 -0.285 -7.375 445 HH2 TRP 60 HH TRP 60 4.304 -1.602 -9.302 446 H ARG 61 H ARG 61 5.486 -4.669 -0.520 447 HA ARG 61 HA ARG 61 7.635 -6.109 -1.899 448 HB2 ARG 61 1HB ARG 61 8.649 -4.307 -0.517 449 HB3 ARG 61 2HB ARG 61 7.885 -5.005 0.904 450 HG2 ARG 61 1HG ARG 61 9.184 -7.165 -0.018 451 HG3 ARG 61 2HG ARG 61 10.254 -5.890 -0.605 452 HD2 ARG 61 1HD ARG 61 11.163 -6.115 1.453 453 HD3 ARG 61 2HD ARG 61 9.857 -5.017 1.896 454 HE ARG 61 HE ARG 61 8.781 -6.757 2.978 455 HH11 ARG 61 1HH1 ARG 61 11.550 -7.932 1.226 456 HH12 ARG 61 2HH1 ARG 61 11.535 -9.488 1.987 457 HH21 ARG 61 1HH2 ARG 61 8.750 -8.802 3.987 458 HH22 ARG 61 2HH2 ARG 61 9.941 -9.982 3.557 459 H THR 62 H THR 62 7.922 -8.235 -1.254 460 HA THR 62 HA THR 62 5.754 -9.715 -0.485 461 HB THR 62 HB THR 62 7.612 -11.384 0.405 462 HG1 THR 62 1HG THR 62 9.617 -10.787 -0.026 463 HG21 THR 62 3HG2 THR 62 7.848 -12.226 -1.804 464 HG22 THR 62 1HG2 THR 62 7.579 -10.635 -2.514 465 HG23 THR 62 2HG2 THR 62 6.250 -11.484 -1.725 466 H SER 63 H SER 63 4.771 -10.274 1.370 467 HA SER 63 HA SER 63 5.669 -8.982 3.817 468 HB2 SER 63 1HB SER 63 3.120 -10.311 2.947 469 HB3 SER 63 2HB SER 63 3.433 -10.033 4.660 470 HG SER 63 HG SER 63 3.945 -7.770 3.805 471 H PHE 64 H PHE 64 6.602 -9.989 5.483 472 HA PHE 64 HA PHE 64 7.456 -11.623 6.817 473 HB2 PHE 64 1HB PHE 64 5.574 -13.553 5.458 474 HB3 PHE 64 2HB PHE 64 6.286 -13.692 7.062 475 HD1 PHE 64 2HD PHE 64 5.797 -11.249 8.387 476 HD2 PHE 64 1HD PHE 64 3.307 -13.274 5.590 477 HE1 PHE 64 2HE PHE 64 3.820 -10.156 9.360 478 HE2 PHE 64 1HE PHE 64 1.326 -12.183 6.559 479 HZ PHE 64 HZ PHE 64 1.581 -10.622 8.447 480 H SER 65 H SER 65 8.614 -11.022 4.254 481 HA SER 65 HA SER 65 9.930 -13.599 3.699 482 HB2 SER 65 1HB SER 65 9.048 -11.446 1.786 483 HB3 SER 65 2HB SER 65 10.327 -12.582 1.360 484 HG SER 65 HG SER 65 8.549 -13.597 0.680 485 H ALA 66 H ALA 66 12.018 -12.903 2.219 486 HA ALA 66 HA ALA 66 13.387 -10.649 3.466 487 HB1 ALA 66 3HB ALA 66 13.930 -13.455 4.082 488 HB2 ALA 66 1HB ALA 66 15.358 -12.536 3.605 489 HB3 ALA 66 2HB ALA 66 14.371 -11.992 4.963 490 H SER 67 H SER 67 15.470 -10.171 2.420 491 HA SER 67 HA SER 67 16.620 -9.628 0.529 492 HB2 SER 67 1HB SER 67 16.110 -12.567 0.030 493 HB3 SER 67 2HB SER 67 17.186 -11.583 -0.962 494 HG SER 67 HG SER 67 17.561 -11.528 1.801 495 H ALA 68 H ALA 68 13.927 -8.928 0.437 496 HA ALA 68 HA ALA 68 13.136 -9.520 -2.334 497 HB1 ALA 68 3HB ALA 68 11.629 -9.693 -0.088 498 HB2 ALA 68 1HB ALA 68 11.237 -8.062 -0.633 499 HB3 ALA 68 2HB ALA 68 10.980 -9.437 -1.708 500 H LYS 69 H LYS 69 12.629 -7.859 -3.766 501 HA LYS 69 HA LYS 69 13.908 -5.307 -3.141 502 HB2 LYS 69 1HB LYS 69 12.999 -6.556 -5.734 503 HB3 LYS 69 2HB LYS 69 13.601 -4.907 -5.624 504 HG2 LYS 69 1HG LYS 69 15.194 -7.276 -4.691 505 HG3 LYS 69 2HG LYS 69 15.256 -6.670 -6.348 506 HD2 LYS 69 1HD LYS 69 15.813 -4.404 -5.333 507 HD3 LYS 69 2HD LYS 69 16.073 -5.267 -3.815 508 HE2 LYS 69 1HE LYS 69 18.197 -5.092 -4.819 509 HE3 LYS 69 2HE LYS 69 17.676 -6.752 -5.098 510 HZ1 LYS 69 3HZ LYS 69 18.423 -6.151 -7.162 511 HZ2 LYS 69 1HZ LYS 69 17.931 -4.540 -7.012 512 HZ3 LYS 69 2HZ LYS 69 16.786 -5.749 -7.309 513 H TYR 70 H TYR 70 12.863 -3.363 -3.150 514 HA TYR 70 HA TYR 70 9.975 -3.461 -2.904 515 HB2 TYR 70 1HB TYR 70 12.123 -1.569 -2.150 516 HB3 TYR 70 2HB TYR 70 10.570 -0.846 -2.556 517 HD1 TYR 70 2HD TYR 70 12.363 -2.998 -0.193 518 HD2 TYR 70 1HD TYR 70 8.623 -1.212 -1.157 519 HE1 TYR 70 2HE TYR 70 11.537 -3.522 2.063 520 HE2 TYR 70 1HE TYR 70 7.788 -1.730 1.097 521 HH TYR 70 HH TYR 70 9.305 -2.199 3.558 522 H LYS 71 H LYS 71 8.836 -3.408 -4.728 523 HA LYS 71 HA LYS 71 9.797 -2.084 -7.098 524 HB2 LYS 71 1HB LYS 71 8.259 -4.230 -6.804 525 HB3 LYS 71 2HB LYS 71 6.977 -3.027 -6.858 526 HG2 LYS 71 1HG LYS 71 7.336 -2.536 -9.048 527 HG3 LYS 71 2HG LYS 71 9.060 -2.908 -8.964 528 HD2 LYS 71 1HD LYS 71 8.255 -5.351 -8.613 529 HD3 LYS 71 2HD LYS 71 6.734 -4.765 -9.291 530 HE2 LYS 71 1HE LYS 71 7.891 -5.564 -11.148 531 HE3 LYS 71 2HE LYS 71 8.186 -3.826 -11.193 532 HZ1 LYS 71 3HZ LYS 71 10.361 -4.116 -10.863 533 HZ2 LYS 71 1HZ LYS 71 10.096 -5.725 -11.314 534 HZ3 LYS 71 2HZ LYS 71 10.139 -5.302 -9.677 535 H SER 72 H SER 72 8.583 -0.441 -8.249 536 HA SER 72 HA SER 72 6.632 1.110 -6.791 537 HB2 SER 72 1HB SER 72 8.299 2.310 -5.773 538 HB3 SER 72 2HB SER 72 9.470 1.967 -7.047 539 HG SER 72 HG SER 72 8.370 4.201 -6.767 540 H GLU 73 H GLU 73 5.531 2.615 -8.090 541 HA GLU 73 HA GLU 73 6.303 2.846 -10.889 542 HB2 GLU 73 1HB GLU 73 3.990 1.286 -9.898 543 HB3 GLU 73 2HB GLU 73 3.680 2.343 -11.268 544 HG2 GLU 73 1HG GLU 73 5.873 0.287 -11.184 545 HG3 GLU 73 2HG GLU 73 4.278 0.014 -11.881 546 H ASP 74 H ASP 74 5.667 4.732 -11.817 547 HA ASP 74 HA ASP 74 4.405 6.680 -10.054 548 HB2 ASP 74 1HB ASP 74 5.224 8.359 -11.564 549 HB3 ASP 74 2HB ASP 74 6.526 7.206 -11.288 550 H THR 75 H THR 75 2.292 6.999 -10.142 551 HA THR 75 HA THR 75 0.940 6.847 -12.748 552 HB THR 75 HB THR 75 0.535 4.765 -11.374 553 HG1 THR 75 1HG THR 75 -1.621 4.744 -11.967 554 HG21 THR 75 3HG2 THR 75 -0.280 4.847 -9.290 555 HG22 THR 75 1HG2 THR 75 -1.489 6.056 -9.723 556 HG23 THR 75 2HG2 THR 75 0.151 6.557 -9.309 557 H THR 76 H THR 76 -0.771 8.262 -13.045 558 HA THR 76 HA THR 76 -0.876 10.469 -11.125 559 HB THR 76 HB THR 76 -1.963 11.752 -12.915 560 HG1 THR 76 1HG THR 76 -2.000 9.231 -14.129 561 HG21 THR 76 3HG2 THR 76 0.285 10.612 -14.425 562 HG22 THR 76 1HG2 THR 76 0.669 11.072 -12.767 563 HG23 THR 76 2HG2 THR 76 0.007 12.267 -13.883 564 H SER 77 H SER 77 -2.419 7.704 -11.328 565 HA SER 77 HA SER 77 -5.108 8.826 -10.915 566 HB2 SER 77 1HB SER 77 -5.727 6.290 -11.118 567 HB3 SER 77 2HB SER 77 -5.359 7.213 -12.574 568 HG SER 77 HG SER 77 -3.509 6.163 -12.798 569 H LEU 78 H LEU 78 -6.443 7.586 -9.282 570 HA LEU 78 HA LEU 78 -4.883 7.362 -6.829 571 HB2 LEU 78 1HB LEU 78 -7.827 7.583 -7.393 572 HB3 LEU 78 2HB LEU 78 -7.195 7.242 -5.783 573 HG LEU 78 HG LEU 78 -6.459 9.707 -7.350 574 HD11 LEU 78 1HD1 LEU 78 -8.078 10.761 -5.616 575 HD12 LEU 78 2HD1 LEU 78 -8.797 9.152 -5.575 576 HD13 LEU 78 3HD1 LEU 78 -8.726 10.048 -7.093 577 HD21 LEU 78 3HD2 LEU 78 -5.516 10.495 -5.379 578 HD22 LEU 78 1HD2 LEU 78 -5.059 8.791 -5.386 579 HD23 LEU 78 2HD2 LEU 78 -6.398 9.341 -4.377 580 H SER 79 H SER 79 -5.103 5.266 -9.028 581 HA SER 79 HA SER 79 -5.360 3.012 -7.232 582 HB2 SER 79 1HB SER 79 -6.951 1.806 -8.723 583 HB3 SER 79 2HB SER 79 -7.666 3.226 -7.962 584 HG SER 79 HG SER 79 -8.120 3.056 -10.227 585 H TYR 80 H TYR 80 -3.917 1.479 -7.728 586 HA TYR 80 HA TYR 80 -2.783 1.454 -10.444 587 HB2 TYR 80 1HB TYR 80 -1.133 2.542 -9.109 588 HB3 TYR 80 2HB TYR 80 -1.312 1.369 -7.809 589 HD1 TYR 80 2HD TYR 80 -0.556 -1.017 -8.232 590 HD2 TYR 80 1HD TYR 80 0.432 2.204 -10.831 591 HE1 TYR 80 2HE TYR 80 1.283 -2.349 -9.176 592 HE2 TYR 80 1HE TYR 80 2.273 0.880 -11.782 593 HH TYR 80 HH TYR 80 2.895 -2.445 -10.699 594 H THR 81 H THR 81 -2.335 -0.527 -11.310 595 HA THR 81 HA THR 81 -3.375 -2.829 -9.830 596 HB THR 81 HB THR 81 -2.584 -2.879 -12.730 597 HG1 THR 81 1HG THR 81 -5.190 -2.213 -11.825 598 HG21 THR 81 3HG2 THR 81 -4.235 -4.527 -10.886 599 HG22 THR 81 1HG2 THR 81 -3.128 -5.028 -12.163 600 HG23 THR 81 2HG2 THR 81 -4.734 -4.425 -12.574 601 H ALA 82 H ALA 82 -2.067 -4.317 -8.999 602 HA ALA 82 HA ALA 82 0.782 -4.208 -9.643 603 HB1 ALA 82 3HB ALA 82 -0.286 -4.257 -7.253 604 HB2 ALA 82 1HB ALA 82 -0.331 -5.998 -7.534 605 HB3 ALA 82 2HB ALA 82 1.207 -5.135 -7.585 606 H THR 83 H THR 83 1.079 -5.319 -11.519 607 HA THR 83 HA THR 83 -0.036 -8.022 -11.737 608 HB THR 83 HB THR 83 0.467 -7.940 -14.084 609 HG1 THR 83 1HG THR 83 1.862 -6.545 -14.925 610 HG21 THR 83 3HG2 THR 83 -0.816 -5.939 -14.785 611 HG22 THR 83 1HG2 THR 83 -0.702 -5.321 -13.138 612 HG23 THR 83 2HG2 THR 83 -1.583 -6.814 -13.461 613 H GLY 84 H GLY 84 1.332 -9.771 -12.483 614 HA2 GLY 84 1HA GLY 84 3.273 -11.013 -12.545 615 HA3 GLY 84 2HA GLY 84 4.178 -9.508 -12.489 616 H LEU 85 H LEU 85 1.888 -10.996 -10.206 617 HA LEU 85 HA LEU 85 3.951 -10.724 -8.126 618 HB2 LEU 85 1HB LEU 85 1.079 -11.166 -7.476 619 HB3 LEU 85 2HB LEU 85 2.318 -10.306 -6.565 620 HG LEU 85 HG LEU 85 1.196 -9.216 -9.131 621 HD11 LEU 85 1HD1 LEU 85 -0.752 -8.799 -8.164 622 HD12 LEU 85 2HD1 LEU 85 0.079 -7.869 -6.917 623 HD13 LEU 85 3HD1 LEU 85 -0.214 -9.592 -6.683 624 HD21 LEU 85 3HD2 LEU 85 3.175 -8.108 -8.507 625 HD22 LEU 85 1HD2 LEU 85 2.728 -8.096 -6.801 626 HD23 LEU 85 2HD2 LEU 85 1.865 -7.069 -7.946 627 H LYS 86 H LYS 86 3.247 -12.349 -6.201 628 HA LYS 86 HA LYS 86 3.415 -15.007 -7.423 629 HB2 LYS 86 1HB LYS 86 5.081 -14.017 -5.655 630 HB3 LYS 86 2HB LYS 86 3.840 -14.493 -4.503 631 HG2 LYS 86 1HG LYS 86 4.089 -16.757 -4.983 632 HG3 LYS 86 2HG LYS 86 4.911 -16.438 -6.512 633 HD2 LYS 86 1HD LYS 86 6.694 -17.033 -5.196 634 HD3 LYS 86 2HD LYS 86 6.681 -15.286 -4.943 635 HE2 LYS 86 1HE LYS 86 5.830 -15.469 -2.809 636 HE3 LYS 86 2HE LYS 86 5.091 -17.038 -3.125 637 HZ1 LYS 86 3HZ LYS 86 8.022 -16.772 -3.148 638 HZ2 LYS 86 1HZ LYS 86 7.074 -18.134 -2.816 639 HZ3 LYS 86 2HZ LYS 86 7.204 -16.895 -1.672 640 HA PRO 87 HA PRO 87 -0.719 -15.959 -6.203 641 HB2 PRO 87 1HB PRO 87 -0.559 -18.662 -6.408 642 HB3 PRO 87 2HB PRO 87 -0.647 -17.595 -7.815 643 HG2 PRO 87 1HG PRO 87 1.744 -18.899 -6.573 644 HG3 PRO 87 2HG PRO 87 1.328 -18.728 -8.288 645 HD2 PRO 87 1HD PRO 87 3.120 -17.115 -7.056 646 HD3 PRO 87 2HD PRO 87 2.085 -16.553 -8.384 647 H ASN 88 H ASN 88 -1.898 -16.983 -4.506 648 HA ASN 88 HA ASN 88 -2.217 -17.313 -2.261 649 HB2 ASN 88 1HB ASN 88 -0.628 -19.321 -1.487 650 HB3 ASN 88 2HB ASN 88 -2.018 -19.574 -2.539 651 HD21 ASN 88 1HD2 ASN 88 1.415 -19.556 -2.289 652 HD22 ASN 88 2HD2 ASN 88 1.749 -20.191 -3.860 653 H THR 89 H THR 89 -0.133 -15.338 -3.004 654 HA THR 89 HA THR 89 1.314 -15.341 -0.441 655 HB THR 89 HB THR 89 2.530 -14.219 -2.957 656 HG1 THR 89 1HG THR 89 2.939 -16.818 -1.854 657 HG21 THR 89 3HG2 THR 89 4.580 -14.292 -1.718 658 HG22 THR 89 1HG2 THR 89 3.816 -15.185 -0.404 659 HG23 THR 89 2HG2 THR 89 3.369 -13.506 -0.707 660 H MET 90 H MET 90 0.950 -13.578 0.731 661 HA MET 90 HA MET 90 -0.251 -11.246 -0.587 662 HB2 MET 90 1HB MET 90 -1.546 -12.271 1.241 663 HB3 MET 90 2HB MET 90 -0.203 -11.995 2.342 664 HG2 MET 90 1HG MET 90 -1.312 -9.663 0.882 665 HG3 MET 90 2HG MET 90 -2.260 -10.352 2.198 666 HE1 MET 90 3HE MET 90 -0.613 -9.858 5.284 667 HE2 MET 90 1HE MET 90 -1.137 -11.175 4.234 668 HE3 MET 90 2HE MET 90 0.580 -10.936 4.558 669 H TYR 91 H TYR 91 0.449 -9.123 -0.031 670 HA TYR 91 HA TYR 91 3.048 -8.915 1.300 671 HB2 TYR 91 1HB TYR 91 2.851 -7.236 -1.098 672 HB3 TYR 91 2HB TYR 91 4.200 -8.198 -0.503 673 HD1 TYR 91 1HD TYR 91 3.856 -10.821 -0.764 674 HD2 TYR 91 2HD TYR 91 1.867 -7.864 -3.089 675 HE1 TYR 91 1HE TYR 91 3.450 -12.488 -2.527 676 HE2 TYR 91 2HE TYR 91 1.456 -9.523 -4.857 677 HH TYR 91 HH TYR 91 1.298 -11.951 -5.104 678 H GLU 92 H GLU 92 3.633 -6.344 1.080 679 HA GLU 92 HA GLU 92 1.260 -4.971 2.157 680 HB2 GLU 92 1HB GLU 92 2.532 -4.008 3.779 681 HB3 GLU 92 2HB GLU 92 3.514 -5.443 3.517 682 HG2 GLU 92 1HG GLU 92 4.836 -4.062 1.855 683 HG3 GLU 92 2HG GLU 92 3.990 -2.659 2.506 684 H PHE 93 H PHE 93 0.503 -3.285 1.067 685 HA PHE 93 HA PHE 93 2.237 -2.048 -0.966 686 HB2 PHE 93 1HB PHE 93 -0.778 -2.283 -0.897 687 HB3 PHE 93 2HB PHE 93 0.136 -1.425 -2.133 688 HD1 PHE 93 2HD PHE 93 -0.117 -4.787 -0.549 689 HD2 PHE 93 1HD PHE 93 0.723 -2.535 -4.062 690 HE1 PHE 93 2HE PHE 93 0.096 -6.875 -1.833 691 HE2 PHE 93 1HE PHE 93 0.937 -4.620 -5.351 692 HZ PHE 93 HZ PHE 93 0.625 -6.794 -4.237 693 H SER 94 H SER 94 1.964 0.241 -1.351 694 HA SER 94 HA SER 94 0.585 1.814 0.647 695 HB2 SER 94 1HB SER 94 2.543 2.986 1.460 696 HB3 SER 94 2HB SER 94 2.775 1.256 1.714 697 HG SER 94 HG SER 94 4.243 2.981 0.241 698 H VAL 95 H VAL 95 0.963 4.212 0.227 699 HA VAL 95 HA VAL 95 1.592 4.772 -2.579 700 HB VAL 95 HB VAL 95 -0.955 5.707 -1.250 701 HG11 VAL 95 1HG1 VAL 95 -0.130 5.998 -4.131 702 HG12 VAL 95 2HG1 VAL 95 -1.502 6.747 -3.312 703 HG13 VAL 95 3HG1 VAL 95 0.143 7.246 -2.916 704 HG21 VAL 95 3HG2 VAL 95 -0.746 3.823 -3.582 705 HG22 VAL 95 1HG2 VAL 95 -0.814 3.253 -1.915 706 HG23 VAL 95 2HG2 VAL 95 -2.153 4.184 -2.583 707 H MET 96 H MET 96 2.342 6.836 -2.982 708 HA MET 96 HA MET 96 2.432 8.735 -0.760 709 HB2 MET 96 1HB MET 96 4.838 9.130 -1.101 710 HB3 MET 96 2HB MET 96 4.511 7.485 -0.571 711 HG2 MET 96 1HG MET 96 5.995 7.044 -2.221 712 HG3 MET 96 2HG MET 96 4.511 7.031 -3.172 713 HE1 MET 96 3HE MET 96 7.248 10.592 -2.630 714 HE2 MET 96 1HE MET 96 7.114 9.145 -1.630 715 HE3 MET 96 2HE MET 96 8.140 9.133 -3.064 716 H VAL 97 H VAL 97 3.863 10.738 -1.737 717 HA VAL 97 HA VAL 97 2.989 11.271 -4.478 718 HB VAL 97 HB VAL 97 1.177 12.189 -3.202 719 HG11 VAL 97 1HG1 VAL 97 1.901 12.422 -1.019 720 HG12 VAL 97 2HG1 VAL 97 3.362 13.294 -1.487 721 HG13 VAL 97 3HG1 VAL 97 1.794 14.099 -1.551 722 HG21 VAL 97 3HG2 VAL 97 1.821 13.542 -5.068 723 HG22 VAL 97 1HG2 VAL 97 1.418 14.619 -3.730 724 HG23 VAL 97 2HG2 VAL 97 3.106 14.309 -4.136 725 H THR 98 H THR 98 4.270 12.705 -5.597 726 HA THR 98 HA THR 98 6.606 13.773 -4.150 727 HB THR 98 HB THR 98 6.576 12.609 -6.941 728 HG1 THR 98 1HG THR 98 7.356 10.853 -6.029 729 HG21 THR 98 3HG2 THR 98 9.161 13.165 -5.713 730 HG22 THR 98 1HG2 THR 98 8.204 14.621 -5.988 731 HG23 THR 98 2HG2 THR 98 8.576 13.543 -7.333 732 H LYS 99 H LYS 99 5.988 15.878 -3.981 733 HA LYS 99 HA LYS 99 5.541 17.314 -6.513 734 HB2 LYS 99 1HB LYS 99 3.474 17.114 -5.096 735 HB3 LYS 99 2HB LYS 99 4.303 18.045 -3.856 736 HG2 LYS 99 1HG LYS 99 4.372 19.975 -5.214 737 HG3 LYS 99 2HG LYS 99 3.896 19.067 -6.651 738 HD2 LYS 99 1HD LYS 99 1.880 19.991 -6.116 739 HD3 LYS 99 2HD LYS 99 1.782 18.519 -5.146 740 HE2 LYS 99 1HE LYS 99 1.136 20.640 -3.960 741 HE3 LYS 99 2HE LYS 99 2.384 19.680 -3.167 742 HZ1 LYS 99 3HZ LYS 99 3.891 21.292 -3.425 743 HZ2 LYS 99 1HZ LYS 99 2.567 22.314 -3.679 744 HZ3 LYS 99 2HZ LYS 99 3.398 21.663 -5.000 745 H ASN 100 H ASN 100 6.540 19.299 -6.746 746 HA ASN 100 HA ASN 100 7.993 21.013 -6.346 747 HB2 ASN 100 1HB ASN 100 6.800 20.873 -3.997 748 HB3 ASN 100 2HB ASN 100 8.355 20.224 -3.484 749 HD21 ASN 100 1HD2 ASN 100 8.027 22.287 -2.167 750 HD22 ASN 100 2HD2 ASN 100 8.743 23.717 -2.820 751 H ARG 101 H ARG 101 8.991 18.796 -7.475 752 HA ARG 101 HA ARG 101 10.838 17.479 -7.782 753 HB2 ARG 101 1HB ARG 101 12.946 18.692 -7.643 754 HB3 ARG 101 2HB ARG 101 11.692 19.724 -8.316 755 HG2 ARG 101 1HG ARG 101 11.455 20.891 -6.231 756 HG3 ARG 101 2HG ARG 101 12.572 19.777 -5.439 757 HD2 ARG 101 1HD ARG 101 13.391 21.409 -7.822 758 HD3 ARG 101 2HD ARG 101 13.473 22.058 -6.185 759 HE ARG 101 HE ARG 101 15.300 20.257 -7.376 760 HH11 ARG 101 1HH1 ARG 101 13.714 20.954 -4.357 761 HH12 ARG 101 2HH1 ARG 101 14.977 20.273 -3.386 762 HH21 ARG 101 1HH2 ARG 101 16.970 19.357 -6.109 763 HH22 ARG 101 2HH2 ARG 101 16.829 19.365 -4.384 764 H ARG 102 H ARG 102 9.519 17.050 -5.268 765 HA ARG 102 HA ARG 102 11.708 15.769 -3.857 766 HB2 ARG 102 1HB ARG 102 11.337 16.754 -1.751 767 HB3 ARG 102 2HB ARG 102 11.361 18.103 -2.879 768 HG2 ARG 102 1HG ARG 102 9.057 18.423 -2.735 769 HG3 ARG 102 2HG ARG 102 8.786 16.817 -2.056 770 HD2 ARG 102 1HD ARG 102 10.208 19.094 -0.679 771 HD3 ARG 102 2HD ARG 102 8.550 18.582 -0.368 772 HE ARG 102 HE ARG 102 9.354 16.706 0.749 773 HH11 ARG 102 1HH1 ARG 102 11.952 18.554 -0.647 774 HH12 ARG 102 2HH1 ARG 102 13.188 17.745 0.258 775 HH21 ARG 102 1HH2 ARG 102 10.972 15.633 1.947 776 HH22 ARG 102 2HH2 ARG 102 12.629 16.083 1.733 777 H SER 103 H SER 103 11.016 14.106 -2.417 778 HA SER 103 HA SER 103 8.278 13.181 -2.981 779 HB2 SER 103 1HB SER 103 10.859 11.712 -2.516 780 HB3 SER 103 2HB SER 103 9.312 10.911 -2.239 781 HG SER 103 HG SER 103 9.990 10.558 -4.360 782 H SER 104 H SER 104 7.007 12.348 -1.318 783 HA SER 104 HA SER 104 7.856 13.168 1.376 784 HB2 SER 104 1HB SER 104 5.553 13.460 1.932 785 HB3 SER 104 2HB SER 104 5.776 14.201 0.347 786 HG SER 104 HG SER 104 4.835 11.555 0.744 787 H THR 105 H THR 105 6.301 11.810 3.024 788 HA THR 105 HA THR 105 7.382 9.152 2.913 789 HB THR 105 HB THR 105 7.129 10.455 5.040 790 HG1 THR 105 1HG THR 105 6.448 8.594 6.218 791 HG21 THR 105 3HG2 THR 105 4.208 9.763 4.699 792 HG22 THR 105 1HG2 THR 105 4.898 11.383 4.607 793 HG23 THR 105 2HG2 THR 105 4.940 10.491 6.128 794 H TRP 106 H TRP 106 6.079 7.204 3.172 795 HA TRP 106 HA TRP 106 3.841 7.219 1.336 796 HB2 TRP 106 1HB TRP 106 5.074 4.904 2.845 797 HB3 TRP 106 2HB TRP 106 3.945 4.788 1.498 798 HD1 TRP 106 HD TRP 106 7.595 5.715 2.263 799 HE1 TRP 106 1HE TRP 106 8.945 5.570 0.077 800 HE3 TRP 106 3HE TRP 106 3.756 4.883 -1.009 801 HZ2 TRP 106 2HZ TRP 106 8.449 5.158 -2.671 802 HZ3 TRP 106 3HZ TRP 106 4.278 4.625 -3.400 803 HH2 TRP 106 HH TRP 106 6.577 4.761 -4.212 804 H SER 107 H SER 107 1.732 6.674 1.807 805 HA SER 107 HA SER 107 0.821 7.316 4.432 806 HB2 SER 107 1HB SER 107 -1.417 6.927 3.543 807 HB3 SER 107 2HB SER 107 -0.469 7.858 2.384 808 HG SER 107 HG SER 107 -0.507 5.062 2.184 809 H MET 108 H MET 108 -1.029 5.778 5.323 810 HA MET 108 HA MET 108 0.138 3.635 6.558 811 HB2 MET 108 1HB MET 108 -2.226 2.756 6.851 812 HB3 MET 108 2HB MET 108 -1.936 4.402 7.398 813 HG2 MET 108 1HG MET 108 -3.189 5.330 5.722 814 HG3 MET 108 2HG MET 108 -2.941 3.967 4.634 815 HE1 MET 108 3HE MET 108 -4.947 1.203 6.102 816 HE2 MET 108 1HE MET 108 -5.345 1.925 4.543 817 HE3 MET 108 2HE MET 108 -3.659 1.765 5.036 818 H THR 109 H THR 109 0.876 1.732 5.904 819 HA THR 109 HA THR 109 0.498 0.833 3.215 820 HB THR 109 HB THR 109 1.758 -0.674 5.514 821 HG1 THR 109 1HG THR 109 3.662 0.257 4.076 822 HG21 THR 109 3HG2 THR 109 1.104 -1.871 3.328 823 HG22 THR 109 1HG2 THR 109 2.755 -2.062 3.917 824 HG23 THR 109 2HG2 THR 109 2.414 -0.944 2.596 825 H ALA 110 H ALA 110 -0.810 -0.727 2.429 826 HA ALA 110 HA ALA 110 -2.692 -1.966 4.322 827 HB1 ALA 110 3HB ALA 110 -3.151 -1.810 1.367 828 HB2 ALA 110 1HB ALA 110 -4.328 -1.957 2.673 829 HB3 ALA 110 2HB ALA 110 -3.486 -0.429 2.411 830 H HIS 111 H HIS 111 -3.576 -4.125 3.503 831 HA HIS 111 HA HIS 111 -1.414 -5.732 2.315 832 HB2 HIS 111 1HB HIS 111 -3.041 -6.300 4.785 833 HB3 HIS 111 2HB HIS 111 -2.244 -7.588 3.888 834 HD1 HIS 111 1HD HIS 111 0.475 -6.511 3.333 835 HD2 HIS 111 2HD HIS 111 -1.481 -5.825 6.934 836 HE1 HIS 111 1HE HIS 111 2.288 -5.984 4.993 837 HE2 HIS 111 2HE HIS 111 1.088 -5.656 7.183 838 H ALA 112 H ALA 112 -2.081 -7.627 1.190 839 HA ALA 112 HA ALA 112 -4.821 -8.296 0.822 840 HB1 ALA 112 3HB ALA 112 -4.780 -6.195 -0.451 841 HB2 ALA 112 1HB ALA 112 -3.500 -6.851 -1.472 842 HB3 ALA 112 2HB ALA 112 -5.102 -7.589 -1.482 843 H THR 113 H THR 113 -4.690 -10.422 0.602 844 HA THR 113 HA THR 113 -2.318 -11.665 -0.498 845 HB THR 113 HB THR 113 -4.787 -13.176 0.299 846 HG1 THR 113 1HG THR 113 -3.634 -13.167 2.456 847 HG21 THR 113 3HG2 THR 113 -1.952 -13.746 -0.183 848 HG22 THR 113 1HG2 THR 113 -3.352 -14.813 -0.271 849 HG23 THR 113 2HG2 THR 113 -2.597 -14.477 1.286 850 H THR 114 H THR 114 -2.368 -13.235 -2.204 851 HA THR 114 HA THR 114 -4.316 -12.535 -4.280 852 HB THR 114 HB THR 114 -2.736 -13.649 -5.846 853 HG1 THR 114 1HG THR 114 -0.604 -14.088 -4.940 854 HG21 THR 114 3HG2 THR 114 -2.644 -11.191 -5.268 855 HG22 THR 114 1HG2 THR 114 -1.149 -11.878 -5.903 856 HG23 THR 114 2HG2 THR 114 -1.318 -11.582 -4.172 857 H TYR 115 H TYR 115 -5.202 -14.221 -5.637 858 HA TYR 115 HA TYR 115 -6.208 -16.406 -4.108 859 HB2 TYR 115 1HB TYR 115 -6.414 -15.928 -7.088 860 HB3 TYR 115 2HB TYR 115 -7.412 -17.022 -6.137 861 HD1 TYR 115 2HD TYR 115 -9.116 -16.137 -4.608 862 HD2 TYR 115 1HD TYR 115 -6.809 -13.552 -7.077 863 HE1 TYR 115 2HE TYR 115 -10.725 -14.322 -4.200 864 HE2 TYR 115 1HE TYR 115 -8.411 -11.729 -6.676 865 HH TYR 115 HH TYR 115 -10.094 -11.124 -4.865 866 H GLU 116 H GLU 116 -5.564 -18.475 -4.011 867 HA GLU 116 HA GLU 116 -3.009 -19.274 -4.684 868 HB2 GLU 116 1HB GLU 116 -4.875 -20.384 -3.187 869 HB3 GLU 116 2HB GLU 116 -5.195 -21.311 -4.646 870 HG2 GLU 116 1HG GLU 116 -2.570 -21.658 -4.548 871 HG3 GLU 116 2HG GLU 116 -2.855 -21.368 -2.833 872 H ALA 117 H ALA 117 -2.028 -19.860 -6.505 873 HA ALA 117 HA ALA 117 -3.266 -19.680 -9.016 874 HB1 ALA 117 3HB ALA 117 -1.038 -19.347 -9.253 875 HB2 ALA 117 1HB ALA 117 -0.616 -20.532 -8.017 876 HB3 ALA 117 2HB ALA 117 -1.070 -21.069 -9.634 877 H SER 118 H SER 118 -3.787 -21.267 -10.556 878 HA SER 118 HA SER 118 -4.648 -23.230 -11.321 879 HB2 SER 118 1HB SER 118 -2.450 -24.162 -10.647 880 HB3 SER 118 2HB SER 118 -3.102 -24.494 -9.043 881 HG SER 118 HG SER 118 -3.795 -25.672 -11.514 882 H GLY 119 H GLY 119 -6.206 -21.671 -9.597 883 HA2 GLY 119 1HA GLY 119 -8.450 -22.187 -8.943 884 HA3 GLY 119 2HA GLY 119 -7.896 -23.772 -8.423 885 HA PRO 120 HA PRO 120 -7.384 -20.279 -5.064 886 HB2 PRO 120 1HB PRO 120 -9.883 -19.378 -4.507 887 HB3 PRO 120 2HB PRO 120 -8.816 -18.589 -5.674 888 HG2 PRO 120 1HG PRO 120 -11.071 -20.498 -6.158 889 HG3 PRO 120 2HG PRO 120 -10.659 -19.010 -7.029 890 HD2 PRO 120 1HD PRO 120 -10.022 -21.469 -7.965 891 HD3 PRO 120 2HD PRO 120 -9.012 -20.042 -8.268 892 H SER 121 H SER 121 -8.362 -20.328 -2.809 893 HA SER 121 HA SER 121 -9.107 -23.093 -2.204 894 HB2 SER 121 1HB SER 121 -8.538 -22.394 0.170 895 HB3 SER 121 2HB SER 121 -7.195 -22.374 -0.972 896 HG SER 121 HG SER 121 -7.359 -20.156 -1.099 897 H SER 122 H SER 122 -10.096 -19.767 -1.461 898 HA SER 122 HA SER 122 -12.683 -20.819 -0.525 899 HB2 SER 122 1HB SER 122 -11.220 -19.417 1.054 900 HB3 SER 122 2HB SER 122 -11.641 -18.044 0.030 901 HG SER 122 HG SER 122 -13.916 -19.029 0.462 902 H GLY 123 H GLY 123 -13.817 -20.925 -2.425 903 HA2 GLY 123 1HA GLY 123 -14.219 -18.349 -3.817 904 HA3 GLY 123 2HA GLY 123 -14.138 -19.880 -4.676 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -13.970 0.754 -13.440 2 HA2 GLY 1 1HA GLY 1 -12.069 2.573 -12.286 3 HA3 GLY 1 2HA GLY 1 -13.732 3.076 -12.021 4 H SER 2 H SER 2 -13.428 2.814 -9.763 5 HA SER 2 HA SER 2 -12.786 0.207 -8.707 6 HB2 SER 2 1HB SER 2 -12.926 1.212 -6.552 7 HB3 SER 2 2HB SER 2 -12.192 2.423 -7.604 8 HG SER 2 HG SER 2 -14.635 2.435 -6.322 9 H SER 3 H SER 3 -14.303 -0.627 -6.896 10 HA SER 3 HA SER 3 -16.978 -0.855 -8.081 11 HB2 SER 3 1HB SER 3 -15.281 -2.661 -6.410 12 HB3 SER 3 2HB SER 3 -17.034 -2.824 -6.312 13 HG SER 3 HG SER 3 -16.696 -2.746 -8.807 14 H GLY 4 H GLY 4 -15.394 -0.498 -4.912 15 HA2 GLY 4 1HA GLY 4 -17.117 1.484 -3.966 16 HA3 GLY 4 2HA GLY 4 -17.772 -0.063 -3.450 17 H SER 5 H SER 5 -15.531 2.390 -2.795 18 HA SER 5 HA SER 5 -13.726 0.837 -1.192 19 HB2 SER 5 1HB SER 5 -13.159 3.026 -2.342 20 HB3 SER 5 2HB SER 5 -14.113 3.833 -1.098 21 HG SER 5 HG SER 5 -12.302 3.793 -0.028 22 H SER 6 H SER 6 -13.528 0.868 1.074 23 HA SER 6 HA SER 6 -15.336 2.195 2.797 24 HB2 SER 6 1HB SER 6 -16.583 0.181 3.596 25 HB3 SER 6 2HB SER 6 -16.991 0.647 1.945 26 HG SER 6 HG SER 6 -15.044 -1.317 2.552 27 H GLY 7 H GLY 7 -15.084 1.503 5.068 28 HA2 GLY 7 1HA GLY 7 -13.631 -0.306 6.302 29 HA3 GLY 7 2HA GLY 7 -12.340 0.577 5.501 30 H PHE 8 H PHE 8 -11.662 0.834 7.801 31 HA PHE 8 HA PHE 8 -12.909 3.251 8.925 32 HB2 PHE 8 1HB PHE 8 -11.805 0.917 10.503 33 HB3 PHE 8 2HB PHE 8 -12.449 2.406 11.186 34 HD1 PHE 8 2HD PHE 8 -14.906 2.985 10.349 35 HD2 PHE 8 1HD PHE 8 -13.185 -0.908 10.423 36 HE1 PHE 8 2HE PHE 8 -17.158 1.993 10.386 37 HE2 PHE 8 1HE PHE 8 -15.434 -1.905 10.459 38 HZ PHE 8 HZ PHE 8 -17.424 -0.455 10.442 39 HA PRO 9 HA PRO 9 -8.580 4.370 8.153 40 HB2 PRO 9 1HB PRO 9 -9.067 7.040 8.091 41 HB3 PRO 9 2HB PRO 9 -9.338 5.981 6.701 42 HG2 PRO 9 1HG PRO 9 -11.310 7.034 8.693 43 HG3 PRO 9 2HG PRO 9 -11.462 6.899 6.931 44 HD2 PRO 9 1HD PRO 9 -12.582 5.114 8.632 45 HD3 PRO 9 2HD PRO 9 -11.987 4.657 7.023 46 H THR 10 H THR 10 -7.281 6.265 9.252 47 HA THR 10 HA THR 10 -7.745 5.995 12.136 48 HB THR 10 HB THR 10 -5.549 5.256 11.338 49 HG1 THR 10 1HG THR 10 -4.710 6.049 13.115 50 HG21 THR 10 3HG2 THR 10 -4.565 6.358 9.669 51 HG22 THR 10 1HG2 THR 10 -4.211 7.660 10.804 52 HG23 THR 10 2HG2 THR 10 -5.685 7.710 9.836 53 H SER 11 H SER 11 -7.883 7.745 13.493 54 HA SER 11 HA SER 11 -8.620 10.254 12.238 55 HB2 SER 11 1HB SER 11 -8.937 9.045 14.942 56 HB3 SER 11 2HB SER 11 -8.928 10.805 14.832 57 HG SER 11 HG SER 11 -10.772 8.961 13.837 58 H VAL 12 H VAL 12 -6.673 11.089 11.489 59 HA VAL 12 HA VAL 12 -4.739 11.863 13.576 60 HB VAL 12 HB VAL 12 -3.049 12.016 11.774 61 HG11 VAL 12 1HG1 VAL 12 -3.077 9.449 11.281 62 HG12 VAL 12 2HG1 VAL 12 -2.835 10.035 12.927 63 HG13 VAL 12 3HG1 VAL 12 -4.419 9.447 12.424 64 HG21 VAL 12 3HG2 VAL 12 -5.350 11.723 10.112 65 HG22 VAL 12 1HG2 VAL 12 -3.682 12.062 9.647 66 HG23 VAL 12 2HG2 VAL 12 -4.236 10.393 9.789 67 HA PRO 13 HA PRO 13 -5.926 16.037 12.722 68 HB2 PRO 13 1HB PRO 13 -3.873 17.256 14.014 69 HB3 PRO 13 2HB PRO 13 -5.228 16.501 14.861 70 HG2 PRO 13 1HG PRO 13 -2.484 15.425 14.339 71 HG3 PRO 13 2HG PRO 13 -3.454 15.344 15.821 72 HD2 PRO 13 1HD PRO 13 -3.244 13.263 14.102 73 HD3 PRO 13 2HD PRO 13 -4.712 13.573 15.051 74 H ASP 14 H ASP 14 -5.054 17.984 11.697 75 HA ASP 14 HA ASP 14 -2.613 17.630 10.140 76 HB2 ASP 14 1HB ASP 14 -5.144 18.477 8.743 77 HB3 ASP 14 2HB ASP 14 -3.614 17.978 8.028 78 H LEU 15 H LEU 15 -1.504 19.354 10.819 79 HA LEU 15 HA LEU 15 -2.265 21.966 10.070 80 HB2 LEU 15 1HB LEU 15 -3.056 22.932 11.946 81 HB3 LEU 15 2HB LEU 15 -3.594 21.288 12.284 82 HG LEU 15 HG LEU 15 -1.238 21.154 13.489 83 HD11 LEU 15 1HD1 LEU 15 -0.270 23.086 14.115 84 HD12 LEU 15 2HD1 LEU 15 -1.808 23.934 14.270 85 HD13 LEU 15 3HD1 LEU 15 -1.076 23.720 12.680 86 HD21 LEU 15 3HD2 LEU 15 -2.944 22.606 15.273 87 HD22 LEU 15 1HD2 LEU 15 -2.581 20.880 15.233 88 HD23 LEU 15 2HD2 LEU 15 -3.912 21.524 14.272 89 H SER 16 H SER 16 -0.529 23.318 10.053 90 HA SER 16 HA SER 16 1.687 23.860 9.998 91 HB2 SER 16 1HB SER 16 2.744 24.044 12.123 92 HB3 SER 16 2HB SER 16 1.020 24.260 12.424 93 HG SER 16 HG SER 16 2.552 22.584 13.630 94 H THR 17 H THR 17 1.182 21.419 8.801 95 HA THR 17 HA THR 17 3.652 19.948 9.432 96 HB THR 17 HB THR 17 2.333 17.892 8.537 97 HG1 THR 17 1HG THR 17 0.456 19.439 8.137 98 HG21 THR 17 3HG2 THR 17 2.502 19.092 11.198 99 HG22 THR 17 1HG2 THR 17 2.843 17.442 10.677 100 HG23 THR 17 2HG2 THR 17 1.185 17.932 11.028 101 HA PRO 18 HA PRO 18 4.676 20.277 5.175 102 HB2 PRO 18 1HB PRO 18 6.010 17.949 4.763 103 HB3 PRO 18 2HB PRO 18 6.682 19.288 5.700 104 HG2 PRO 18 1HG PRO 18 5.348 16.786 6.660 105 HG3 PRO 18 2HG PRO 18 6.804 17.586 7.280 106 HD2 PRO 18 1HD PRO 18 4.382 17.848 8.463 107 HD3 PRO 18 2HD PRO 18 5.593 19.146 8.469 108 H MET 19 H MET 19 4.923 18.398 3.236 109 HA MET 19 HA MET 19 2.550 18.122 2.039 110 HB2 MET 19 1HB MET 19 4.842 16.167 2.063 111 HB3 MET 19 2HB MET 19 3.443 15.952 1.020 112 HG2 MET 19 1HG MET 19 5.097 18.456 1.010 113 HG3 MET 19 2HG MET 19 5.466 17.062 -0.003 114 HE1 MET 19 3HE MET 19 4.123 16.197 -1.881 115 HE2 MET 19 1HE MET 19 2.592 15.995 -1.029 116 HE3 MET 19 2HE MET 19 2.646 16.898 -2.543 117 H LEU 20 H LEU 20 0.792 16.754 2.011 118 HA LEU 20 HA LEU 20 0.536 14.987 4.351 119 HB2 LEU 20 1HB LEU 20 -1.003 17.078 3.840 120 HB3 LEU 20 2HB LEU 20 -1.836 15.912 2.814 121 HG LEU 20 HG LEU 20 -2.912 16.108 4.991 122 HD11 LEU 20 1HD1 LEU 20 -1.686 13.445 5.248 123 HD12 LEU 20 2HD1 LEU 20 -2.374 13.822 3.669 124 HD13 LEU 20 3HD1 LEU 20 -3.381 13.911 5.114 125 HD21 LEU 20 3HD2 LEU 20 -1.014 14.755 6.632 126 HD22 LEU 20 1HD2 LEU 20 -1.747 16.343 6.862 127 HD23 LEU 20 2HD2 LEU 20 -0.251 16.188 5.940 128 HA PRO 21 HA PRO 21 0.550 11.725 1.296 129 HB2 PRO 21 1HB PRO 21 0.380 9.696 3.091 130 HB3 PRO 21 2HB PRO 21 1.885 10.560 2.759 131 HG2 PRO 21 1HG PRO 21 -0.048 10.922 5.016 132 HG3 PRO 21 2HG PRO 21 1.725 10.894 5.054 133 HD2 PRO 21 1HD PRO 21 0.303 13.198 5.112 134 HD3 PRO 21 2HD PRO 21 1.900 13.081 4.347 135 HA PRO 22 HA PRO 22 -3.645 10.508 0.797 136 HB2 PRO 22 1HB PRO 22 -3.453 7.910 0.032 137 HB3 PRO 22 2HB PRO 22 -2.989 9.257 -1.015 138 HG2 PRO 22 1HG PRO 22 -1.262 7.484 0.670 139 HG3 PRO 22 2HG PRO 22 -0.995 8.060 -0.986 140 HD2 PRO 22 1HD PRO 22 0.216 9.183 1.159 141 HD3 PRO 22 2HD PRO 22 -0.232 10.117 -0.283 142 H VAL 23 H VAL 23 -5.241 8.638 1.344 143 HA VAL 23 HA VAL 23 -4.629 7.338 3.882 144 HB VAL 23 HB VAL 23 -6.593 8.175 5.011 145 HG11 VAL 23 1HG1 VAL 23 -5.972 10.579 5.218 146 HG12 VAL 23 2HG1 VAL 23 -4.604 9.471 5.349 147 HG13 VAL 23 3HG1 VAL 23 -4.876 10.366 3.853 148 HG21 VAL 23 3HG2 VAL 23 -7.158 10.220 2.937 149 HG22 VAL 23 1HG2 VAL 23 -7.708 8.573 2.631 150 HG23 VAL 23 2HG2 VAL 23 -8.248 9.428 4.076 151 H GLY 24 H GLY 24 -6.854 6.189 4.604 152 HA2 GLY 24 1HA GLY 24 -8.134 4.334 4.131 153 HA3 GLY 24 2HA GLY 24 -8.767 5.343 2.838 154 H VAL 25 H VAL 25 -5.415 4.400 2.912 155 HA VAL 25 HA VAL 25 -5.382 3.405 0.315 156 HB VAL 25 HB VAL 25 -3.509 2.668 2.569 157 HG11 VAL 25 1HG1 VAL 25 -2.017 2.630 0.311 158 HG12 VAL 25 2HG1 VAL 25 -2.772 1.203 1.025 159 HG13 VAL 25 3HG1 VAL 25 -3.564 2.048 -0.306 160 HG21 VAL 25 3HG2 VAL 25 -2.667 4.647 0.575 161 HG22 VAL 25 1HG2 VAL 25 -3.986 5.173 1.620 162 HG23 VAL 25 2HG2 VAL 25 -2.461 4.641 2.326 163 H GLN 26 H GLN 26 -6.592 1.764 -0.386 164 HA GLN 26 HA GLN 26 -6.717 -0.677 1.258 165 HB2 GLN 26 1HB GLN 26 -8.911 0.312 0.992 166 HB3 GLN 26 2HB GLN 26 -8.699 0.402 -0.751 167 HG2 GLN 26 1HG GLN 26 -10.061 -1.445 -0.470 168 HG3 GLN 26 2HG GLN 26 -8.455 -2.150 -0.648 169 HE21 GLN 26 1HE2 GLN 26 -10.275 -3.721 0.437 170 HE22 GLN 26 2HE2 GLN 26 -10.050 -3.884 2.142 171 H ALA 27 H ALA 27 -6.122 -2.594 0.384 172 HA ALA 27 HA ALA 27 -5.047 -2.512 -2.354 173 HB1 ALA 27 3HB ALA 27 -3.271 -3.031 -0.944 174 HB2 ALA 27 1HB ALA 27 -4.261 -4.070 0.081 175 HB3 ALA 27 2HB ALA 27 -3.796 -4.608 -1.534 176 H VAL 28 H VAL 28 -6.723 -3.144 -3.625 177 HA VAL 28 HA VAL 28 -8.393 -5.392 -2.878 178 HB VAL 28 HB VAL 28 -8.388 -3.848 -5.474 179 HG11 VAL 28 1HG1 VAL 28 -10.164 -5.912 -4.261 180 HG12 VAL 28 2HG1 VAL 28 -10.874 -4.666 -5.290 181 HG13 VAL 28 3HG1 VAL 28 -9.621 -5.732 -5.929 182 HG21 VAL 28 3HG2 VAL 28 -9.326 -2.132 -4.421 183 HG22 VAL 28 1HG2 VAL 28 -10.590 -3.190 -3.792 184 HG23 VAL 28 2HG2 VAL 28 -9.098 -2.960 -2.880 185 H ALA 29 H ALA 29 -8.284 -7.421 -3.669 186 HA ALA 29 HA ALA 29 -5.996 -8.056 -5.388 187 HB1 ALA 29 3HB ALA 29 -7.666 -10.108 -3.990 188 HB2 ALA 29 1HB ALA 29 -5.969 -10.182 -4.465 189 HB3 ALA 29 2HB ALA 29 -6.461 -9.175 -3.103 190 H LEU 30 H LEU 30 -6.447 -8.130 -7.490 191 HA LEU 30 HA LEU 30 -9.099 -8.701 -8.459 192 HB2 LEU 30 1HB LEU 30 -6.615 -8.483 -10.131 193 HB3 LEU 30 2HB LEU 30 -8.283 -8.160 -10.601 194 HG LEU 30 HG LEU 30 -7.014 -6.457 -8.505 195 HD11 LEU 30 1HD1 LEU 30 -6.430 -6.377 -11.447 196 HD12 LEU 30 2HD1 LEU 30 -5.300 -6.328 -10.093 197 HD13 LEU 30 3HD1 LEU 30 -6.328 -4.936 -10.434 198 HD21 LEU 30 3HD2 LEU 30 -8.976 -5.444 -8.734 199 HD22 LEU 30 1HD2 LEU 30 -9.406 -6.478 -10.097 200 HD23 LEU 30 2HD2 LEU 30 -8.500 -4.990 -10.371 201 H THR 31 H THR 31 -5.905 -10.238 -8.810 202 HA THR 31 HA THR 31 -7.190 -12.846 -8.918 203 HB THR 31 HB THR 31 -6.900 -11.860 -11.308 204 HG1 THR 31 1HG THR 31 -7.351 -14.094 -10.756 205 HG21 THR 31 3HG2 THR 31 -4.254 -13.052 -11.473 206 HG22 THR 31 1HG2 THR 31 -4.278 -11.613 -10.455 207 HG23 THR 31 2HG2 THR 31 -4.844 -11.523 -12.123 208 H HIS 32 H HIS 32 -5.353 -14.579 -9.225 209 HA HIS 32 HA HIS 32 -3.771 -14.628 -7.001 210 HB2 HIS 32 1HB HIS 32 -2.364 -16.313 -8.216 211 HB3 HIS 32 2HB HIS 32 -4.096 -16.626 -8.294 212 HD1 HIS 32 1HD HIS 32 -5.258 -15.790 -10.619 213 HD2 HIS 32 2HD HIS 32 -1.132 -16.275 -10.633 214 HE1 HIS 32 1HE HIS 32 -4.607 -15.938 -13.044 215 HE2 HIS 32 2HE HIS 32 -2.117 -16.317 -13.024 216 H ASP 33 H ASP 33 -2.890 -13.396 -10.202 217 HA ASP 33 HA ASP 33 -0.480 -12.204 -8.993 218 HB2 ASP 33 1HB ASP 33 0.536 -12.258 -11.231 219 HB3 ASP 33 2HB ASP 33 0.075 -13.873 -10.698 220 H ALA 34 H ALA 34 -2.950 -10.933 -8.778 221 HA ALA 34 HA ALA 34 -2.361 -8.455 -10.156 222 HB1 ALA 34 3HB ALA 34 -5.061 -9.746 -10.524 223 HB2 ALA 34 1HB ALA 34 -4.531 -8.192 -11.170 224 HB3 ALA 34 2HB ALA 34 -3.795 -9.687 -11.752 225 H VAL 35 H VAL 35 -2.806 -6.752 -8.893 226 HA VAL 35 HA VAL 35 -4.841 -6.979 -6.807 227 HB VAL 35 HB VAL 35 -1.923 -6.482 -6.312 228 HG11 VAL 35 1HG1 VAL 35 -3.087 -4.546 -5.395 229 HG12 VAL 35 2HG1 VAL 35 -4.191 -5.612 -4.523 230 HG13 VAL 35 3HG1 VAL 35 -2.477 -5.583 -4.106 231 HG21 VAL 35 3HG2 VAL 35 -2.726 -7.902 -4.233 232 HG22 VAL 35 1HG2 VAL 35 -4.024 -8.349 -5.340 233 HG23 VAL 35 2HG2 VAL 35 -2.344 -8.665 -5.776 234 H ARG 36 H ARG 36 -6.132 -5.296 -7.104 235 HA ARG 36 HA ARG 36 -5.124 -2.864 -8.337 236 HB2 ARG 36 1HB ARG 36 -7.203 -3.616 -9.214 237 HB3 ARG 36 2HB ARG 36 -7.886 -3.823 -7.607 238 HG2 ARG 36 1HG ARG 36 -8.841 -1.873 -8.601 239 HG3 ARG 36 2HG ARG 36 -7.768 -1.366 -7.295 240 HD2 ARG 36 1HD ARG 36 -7.102 0.090 -8.920 241 HD3 ARG 36 2HD ARG 36 -6.011 -1.251 -9.263 242 HE ARG 36 HE ARG 36 -7.035 -1.480 -11.284 243 HH11 ARG 36 1HH1 ARG 36 -9.200 0.196 -9.133 244 HH12 ARG 36 2HH1 ARG 36 -10.398 0.482 -10.351 245 HH21 ARG 36 1HH2 ARG 36 -8.605 -1.111 -12.896 246 HH22 ARG 36 2HH2 ARG 36 -10.060 -0.263 -12.491 247 H VAL 37 H VAL 37 -4.075 -1.549 -6.973 248 HA VAL 37 HA VAL 37 -4.999 -1.222 -4.232 249 HB VAL 37 HB VAL 37 -2.638 0.054 -5.620 250 HG11 VAL 37 1HG1 VAL 37 -1.909 0.256 -3.146 251 HG12 VAL 37 2HG1 VAL 37 -3.074 1.414 -3.790 252 HG13 VAL 37 3HG1 VAL 37 -3.626 0.067 -2.794 253 HG21 VAL 37 3HG2 VAL 37 -1.277 -1.649 -4.812 254 HG22 VAL 37 1HG2 VAL 37 -2.476 -2.180 -3.632 255 HG23 VAL 37 2HG2 VAL 37 -2.718 -2.514 -5.347 256 H SER 38 H SER 38 -6.698 0.096 -4.006 257 HA SER 38 HA SER 38 -6.644 2.677 -5.429 258 HB2 SER 38 1HB SER 38 -9.062 2.686 -5.397 259 HB3 SER 38 2HB SER 38 -8.519 1.153 -6.079 260 HG SER 38 HG SER 38 -9.106 1.424 -3.331 261 H TRP 39 H TRP 39 -6.489 4.445 -4.221 262 HA TRP 39 HA TRP 39 -7.238 4.274 -1.377 263 HB2 TRP 39 1HB TRP 39 -5.352 5.819 -0.884 264 HB3 TRP 39 2HB TRP 39 -4.821 4.261 -1.511 265 HD1 TRP 39 HD TRP 39 -4.683 7.954 -2.225 266 HE1 TRP 39 1HE TRP 39 -3.273 8.369 -4.338 267 HE3 TRP 39 3HE TRP 39 -4.238 3.132 -3.865 268 HZ2 TRP 39 2HZ TRP 39 -2.125 6.854 -6.424 269 HZ3 TRP 39 3HZ TRP 39 -2.968 2.700 -5.927 270 HH2 TRP 39 HH TRP 39 -1.934 4.524 -7.179 271 H ALA 40 H ALA 40 -7.418 6.567 -0.413 272 HA ALA 40 HA ALA 40 -8.925 8.229 -2.323 273 HB1 ALA 40 3HB ALA 40 -10.601 8.055 -0.876 274 HB2 ALA 40 1HB ALA 40 -9.572 7.241 0.303 275 HB3 ALA 40 2HB ALA 40 -9.643 9.003 0.262 276 H ASP 41 H ASP 41 -8.743 10.501 -2.187 277 HA ASP 41 HA ASP 41 -6.180 11.388 -1.066 278 HB2 ASP 41 1HB ASP 41 -6.490 13.357 -2.596 279 HB3 ASP 41 2HB ASP 41 -6.348 11.807 -3.422 280 H ASN 42 H ASN 42 -6.197 12.515 0.754 281 HA ASN 42 HA ASN 42 -8.653 13.961 1.493 282 HB2 ASN 42 1HB ASN 42 -6.610 12.471 3.080 283 HB3 ASN 42 2HB ASN 42 -7.407 13.848 3.835 284 HD21 ASN 42 1HD2 ASN 42 -8.005 11.899 5.223 285 HD22 ASN 42 2HD2 ASN 42 -9.504 11.131 4.837 286 H SER 43 H SER 43 -5.112 14.153 1.548 287 HA SER 43 HA SER 43 -4.525 16.501 2.658 288 HB2 SER 43 1HB SER 43 -2.697 16.775 1.122 289 HB3 SER 43 2HB SER 43 -2.944 15.044 1.344 290 HG SER 43 HG SER 43 -3.634 16.659 -0.866 291 H VAL 44 H VAL 44 -6.310 16.120 -0.328 292 HA VAL 44 HA VAL 44 -6.262 18.859 -1.096 293 HB VAL 44 HB VAL 44 -8.032 18.291 -2.663 294 HG11 VAL 44 1HG1 VAL 44 -5.643 16.563 -2.379 295 HG12 VAL 44 2HG1 VAL 44 -6.855 16.077 -3.566 296 HG13 VAL 44 3HG1 VAL 44 -6.097 17.667 -3.677 297 HG21 VAL 44 3HG2 VAL 44 -8.120 15.559 -1.395 298 HG22 VAL 44 1HG2 VAL 44 -9.291 16.835 -1.060 299 HG23 VAL 44 2HG2 VAL 44 -9.143 16.179 -2.690 300 HA PRO 45 HA PRO 45 -9.257 20.560 1.648 301 HB2 PRO 45 1HB PRO 45 -10.033 22.695 0.161 302 HB3 PRO 45 2HB PRO 45 -8.472 22.616 0.987 303 HG2 PRO 45 1HG PRO 45 -9.124 22.087 -1.887 304 HG3 PRO 45 2HG PRO 45 -7.758 22.982 -1.196 305 HD2 PRO 45 1HD PRO 45 -7.535 20.429 -2.069 306 HD3 PRO 45 2HD PRO 45 -6.582 21.061 -0.711 307 H LYS 46 H LYS 46 -11.569 21.469 1.540 308 HA LYS 46 HA LYS 46 -13.330 19.496 0.737 309 HB2 LYS 46 1HB LYS 46 -15.116 21.156 1.078 310 HB3 LYS 46 2HB LYS 46 -13.930 21.194 2.376 311 HG2 LYS 46 1HG LYS 46 -12.852 23.131 1.212 312 HG3 LYS 46 2HG LYS 46 -14.230 23.147 0.109 313 HD2 LYS 46 1HD LYS 46 -14.512 23.330 3.102 314 HD3 LYS 46 2HD LYS 46 -14.364 24.746 2.058 315 HE2 LYS 46 1HE LYS 46 -16.433 22.668 1.477 316 HE3 LYS 46 2HE LYS 46 -16.721 23.866 2.738 317 HZ1 LYS 46 3HZ LYS 46 -15.755 25.163 0.438 318 HZ2 LYS 46 1HZ LYS 46 -17.260 25.336 1.193 319 HZ3 LYS 46 2HZ LYS 46 -17.047 24.166 -0.010 320 H ASN 47 H ASN 47 -12.445 22.483 -0.959 321 HA ASN 47 HA ASN 47 -13.623 21.334 -3.402 322 HB2 ASN 47 1HB ASN 47 -14.740 23.435 -2.261 323 HB3 ASN 47 2HB ASN 47 -13.427 24.299 -3.055 324 HD21 ASN 47 1HD2 ASN 47 -13.321 24.312 -5.318 325 HD22 ASN 47 2HD2 ASN 47 -14.705 23.953 -6.287 326 H GLN 48 H GLN 48 -12.342 21.254 -5.154 327 HA GLN 48 HA GLN 48 -10.113 23.015 -5.528 328 HB2 GLN 48 1HB GLN 48 -9.418 21.113 -3.860 329 HB3 GLN 48 2HB GLN 48 -9.326 20.135 -5.318 330 HG2 GLN 48 1HG GLN 48 -7.622 21.468 -6.232 331 HG3 GLN 48 2HG GLN 48 -7.891 22.755 -5.058 332 HE21 GLN 48 1HE2 GLN 48 -6.208 22.892 -3.768 333 HE22 GLN 48 2HE2 GLN 48 -5.365 21.568 -3.047 334 H LYS 49 H LYS 49 -10.403 23.457 -7.609 335 HA LYS 49 HA LYS 49 -11.221 21.317 -9.437 336 HB2 LYS 49 1HB LYS 49 -11.297 24.320 -9.607 337 HB3 LYS 49 2HB LYS 49 -11.498 23.318 -11.038 338 HG2 LYS 49 1HG LYS 49 -13.210 23.047 -8.581 339 HG3 LYS 49 2HG LYS 49 -13.618 24.090 -9.945 340 HD2 LYS 49 1HD LYS 49 -13.028 21.161 -10.282 341 HD3 LYS 49 2HD LYS 49 -14.648 21.760 -9.920 342 HE2 LYS 49 1HE LYS 49 -14.651 23.084 -11.939 343 HE3 LYS 49 2HE LYS 49 -12.979 22.639 -12.273 344 HZ1 LYS 49 3HZ LYS 49 -15.279 20.761 -12.195 345 HZ2 LYS 49 1HZ LYS 49 -13.674 20.343 -12.530 346 HZ3 LYS 49 2HZ LYS 49 -14.527 21.340 -13.596 347 H THR 50 H THR 50 -8.785 23.875 -9.100 348 HA THR 50 HA THR 50 -7.131 22.446 -11.079 349 HB THR 50 HB THR 50 -5.961 24.656 -11.407 350 HG1 THR 50 1HG THR 50 -8.263 25.677 -10.069 351 HG21 THR 50 3HG2 THR 50 -8.205 25.649 -12.522 352 HG22 THR 50 1HG2 THR 50 -8.713 23.983 -12.246 353 HG23 THR 50 2HG2 THR 50 -7.280 24.319 -13.219 354 H SER 51 H SER 51 -5.809 21.197 -9.879 355 HA SER 51 HA SER 51 -4.421 22.435 -7.599 356 HB2 SER 51 1HB SER 51 -5.676 20.410 -7.031 357 HB3 SER 51 2HB SER 51 -4.808 19.507 -8.272 358 HG SER 51 HG SER 51 -2.896 20.442 -6.914 359 H GLU 52 H GLU 52 -2.172 22.209 -7.378 360 HA GLU 52 HA GLU 52 -0.691 22.459 -9.754 361 HB2 GLU 52 1HB GLU 52 0.113 22.037 -6.883 362 HB3 GLU 52 2HB GLU 52 1.305 22.174 -8.168 363 HG2 GLU 52 1HG GLU 52 1.179 24.327 -7.358 364 HG3 GLU 52 2HG GLU 52 0.097 24.375 -8.749 365 H VAL 53 H VAL 53 0.374 21.034 -10.996 366 HA VAL 53 HA VAL 53 -0.179 18.443 -11.293 367 HB VAL 53 HB VAL 53 2.603 19.593 -11.553 368 HG11 VAL 53 1HG1 VAL 53 3.316 17.647 -12.372 369 HG12 VAL 53 2HG1 VAL 53 1.848 16.934 -11.702 370 HG13 VAL 53 3HG1 VAL 53 1.885 17.463 -13.385 371 HG21 VAL 53 3HG2 VAL 53 1.593 20.851 -13.112 372 HG22 VAL 53 1HG2 VAL 53 1.573 19.370 -14.069 373 HG23 VAL 53 2HG2 VAL 53 0.151 19.836 -13.136 374 H ARG 54 H ARG 54 0.150 16.530 -10.318 375 HA ARG 54 HA ARG 54 2.168 16.317 -8.210 376 HB2 ARG 54 1HB ARG 54 0.533 15.212 -6.707 377 HB3 ARG 54 2HB ARG 54 0.156 16.903 -7.006 378 HG2 ARG 54 1HG ARG 54 -1.890 15.751 -7.104 379 HG3 ARG 54 2HG ARG 54 -1.454 16.101 -8.778 380 HD2 ARG 54 1HD ARG 54 -0.884 13.890 -9.221 381 HD3 ARG 54 2HD ARG 54 -0.685 13.499 -7.513 382 HE ARG 54 HE ARG 54 -2.936 13.076 -7.375 383 HH11 ARG 54 1HH1 ARG 54 -2.245 14.727 -10.361 384 HH12 ARG 54 2HH1 ARG 54 -3.834 14.491 -11.011 385 HH21 ARG 54 1HH2 ARG 54 -5.031 12.759 -8.220 386 HH22 ARG 54 2HH2 ARG 54 -5.418 13.372 -9.792 387 H LEU 55 H LEU 55 2.205 13.944 -7.390 388 HA LEU 55 HA LEU 55 1.452 11.989 -9.393 389 HB2 LEU 55 1HB LEU 55 3.504 12.621 -10.356 390 HB3 LEU 55 2HB LEU 55 4.301 12.715 -8.787 391 HG LEU 55 HG LEU 55 5.021 10.787 -10.175 392 HD11 LEU 55 1HD1 LEU 55 5.416 9.583 -8.326 393 HD12 LEU 55 2HD1 LEU 55 3.705 9.457 -7.918 394 HD13 LEU 55 3HD1 LEU 55 4.607 10.912 -7.495 395 HD21 LEU 55 3HD2 LEU 55 3.119 8.884 -9.885 396 HD22 LEU 55 1HD2 LEU 55 3.353 9.839 -11.349 397 HD23 LEU 55 2HD2 LEU 55 2.120 10.308 -10.178 398 H TYR 56 H TYR 56 1.215 9.959 -8.565 399 HA TYR 56 HA TYR 56 1.877 9.628 -5.712 400 HB2 TYR 56 1HB TYR 56 -0.507 8.732 -7.310 401 HB3 TYR 56 2HB TYR 56 -0.065 7.919 -5.813 402 HD1 TYR 56 1HD TYR 56 -0.379 11.465 -6.977 403 HD2 TYR 56 2HD TYR 56 -1.287 8.581 -3.983 404 HE1 TYR 56 1HE TYR 56 -1.585 13.184 -5.695 405 HE2 TYR 56 2HE TYR 56 -2.497 10.291 -2.694 406 HH TYR 56 HH TYR 56 -2.516 12.761 -2.478 407 H THR 57 H THR 57 3.326 8.116 -5.274 408 HA THR 57 HA THR 57 4.056 6.185 -7.334 409 HB THR 57 HB THR 57 5.377 6.732 -4.668 410 HG1 THR 57 1HG THR 57 6.449 7.471 -7.167 411 HG21 THR 57 3HG2 THR 57 5.868 4.498 -5.500 412 HG22 THR 57 1HG2 THR 57 7.290 5.529 -5.654 413 HG23 THR 57 2HG2 THR 57 6.311 5.160 -7.073 414 H VAL 58 H VAL 58 4.337 3.928 -6.836 415 HA VAL 58 HA VAL 58 2.851 2.945 -4.510 416 HB VAL 58 HB VAL 58 2.382 1.865 -7.290 417 HG11 VAL 58 1HG1 VAL 58 0.832 0.414 -6.353 418 HG12 VAL 58 2HG1 VAL 58 2.137 0.410 -5.164 419 HG13 VAL 58 3HG1 VAL 58 0.682 1.366 -4.877 420 HG21 VAL 58 3HG2 VAL 58 0.197 2.926 -7.203 421 HG22 VAL 58 1HG2 VAL 58 0.578 3.622 -5.628 422 HG23 VAL 58 2HG2 VAL 58 1.471 4.137 -7.059 423 H ARG 59 H ARG 59 3.924 1.382 -3.496 424 HA ARG 59 HA ARG 59 5.803 -0.278 -5.032 425 HB2 ARG 59 1HB ARG 59 7.524 -0.034 -3.449 426 HB3 ARG 59 2HB ARG 59 6.913 1.597 -3.691 427 HG2 ARG 59 1HG ARG 59 5.449 1.146 -1.636 428 HG3 ARG 59 2HG ARG 59 6.527 -0.221 -1.345 429 HD2 ARG 59 1HD ARG 59 8.428 1.227 -1.197 430 HD3 ARG 59 2HD ARG 59 7.473 2.614 -1.718 431 HE ARG 59 HE ARG 59 6.635 2.814 0.417 432 HH11 ARG 59 1HH1 ARG 59 8.356 -0.195 0.095 433 HH12 ARG 59 2HH1 ARG 59 8.342 -0.535 1.794 434 HH21 ARG 59 1HH2 ARG 59 6.609 2.377 2.656 435 HH22 ARG 59 2HH2 ARG 59 7.347 0.928 3.249 436 H TRP 60 H TRP 60 6.333 -2.325 -3.995 437 HA TRP 60 HA TRP 60 4.815 -3.231 -1.744 438 HB2 TRP 60 1HB TRP 60 3.575 -5.004 -3.019 439 HB3 TRP 60 2HB TRP 60 3.010 -3.362 -3.320 440 HD1 TRP 60 HD TRP 60 4.658 -6.324 -5.039 441 HE1 TRP 60 1HE TRP 60 4.742 -5.881 -7.574 442 HE3 TRP 60 3HE TRP 60 3.174 -1.432 -5.058 443 HZ2 TRP 60 2HZ TRP 60 4.245 -3.741 -9.346 444 HZ3 TRP 60 3HZ TRP 60 3.004 -0.259 -7.214 445 HH2 TRP 60 HH TRP 60 3.530 -1.391 -9.313 446 H ARG 61 H ARG 61 5.789 -4.941 -0.807 447 HA ARG 61 HA ARG 61 7.603 -6.600 -2.393 448 HB2 ARG 61 1HB ARG 61 8.878 -4.692 -1.323 449 HB3 ARG 61 2HB ARG 61 8.458 -5.389 0.235 450 HG2 ARG 61 1HG ARG 61 10.590 -6.203 -0.175 451 HG3 ARG 61 2HG ARG 61 9.541 -7.537 -0.662 452 HD2 ARG 61 1HD ARG 61 11.296 -5.810 -2.280 453 HD3 ARG 61 2HD ARG 61 10.831 -7.494 -2.516 454 HE ARG 61 HE ARG 61 8.884 -5.375 -3.075 455 HH11 ARG 61 1HH1 ARG 61 10.952 -7.946 -4.187 456 HH12 ARG 61 2HH1 ARG 61 10.217 -8.034 -5.754 457 HH21 ARG 61 1HH2 ARG 61 7.909 -5.482 -5.134 458 HH22 ARG 61 2HH2 ARG 61 8.487 -6.632 -6.292 459 H THR 62 H THR 62 7.926 -8.673 -1.586 460 HA THR 62 HA THR 62 5.883 -9.983 -0.364 461 HB THR 62 HB THR 62 7.862 -11.560 0.509 462 HG1 THR 62 1HG THR 62 9.304 -9.682 -0.288 463 HG21 THR 62 3HG2 THR 62 7.366 -11.287 -2.447 464 HG22 THR 62 1HG2 THR 62 6.149 -11.921 -1.340 465 HG23 THR 62 2HG2 THR 62 7.694 -12.753 -1.523 466 H SER 63 H SER 63 5.237 -10.497 1.683 467 HA SER 63 HA SER 63 6.206 -8.788 3.804 468 HB2 SER 63 1HB SER 63 3.753 -9.347 3.363 469 HB3 SER 63 2HB SER 63 4.096 -10.933 4.054 470 HG SER 63 HG SER 63 3.426 -9.715 5.741 471 H PHE 64 H PHE 64 7.919 -9.346 4.961 472 HA PHE 64 HA PHE 64 9.299 -10.550 6.321 473 HB2 PHE 64 1HB PHE 64 7.392 -12.875 6.063 474 HB3 PHE 64 2HB PHE 64 8.537 -12.554 7.362 475 HD1 PHE 64 2HD PHE 64 8.121 -10.612 8.895 476 HD2 PHE 64 1HD PHE 64 5.211 -12.017 6.124 477 HE1 PHE 64 2HE PHE 64 6.360 -9.452 10.161 478 HE2 PHE 64 1HE PHE 64 3.445 -10.858 7.386 479 HZ PHE 64 HZ PHE 64 4.019 -9.574 9.408 480 H SER 65 H SER 65 10.149 -10.353 3.855 481 HA SER 65 HA SER 65 11.002 -13.068 3.085 482 HB2 SER 65 1HB SER 65 9.547 -11.511 1.487 483 HB3 SER 65 2HB SER 65 11.132 -10.835 1.111 484 HG SER 65 HG SER 65 10.197 -12.834 -0.065 485 H ALA 66 H ALA 66 13.065 -12.647 1.481 486 HA ALA 66 HA ALA 66 14.917 -10.821 2.832 487 HB1 ALA 66 3HB ALA 66 15.197 -13.789 2.618 488 HB2 ALA 66 1HB ALA 66 16.631 -12.762 2.650 489 HB3 ALA 66 2HB ALA 66 15.492 -12.732 3.998 490 H SER 67 H SER 67 16.392 -9.883 1.510 491 HA SER 67 HA SER 67 17.328 -9.152 -0.431 492 HB2 SER 67 1HB SER 67 17.306 -12.134 -0.823 493 HB3 SER 67 2HB SER 67 17.922 -11.064 -2.083 494 HG SER 67 HG SER 67 19.136 -11.885 0.153 495 H ALA 68 H ALA 68 14.640 -8.734 -0.346 496 HA ALA 68 HA ALA 68 13.673 -9.461 -3.029 497 HB1 ALA 68 3HB ALA 68 11.512 -9.401 -2.263 498 HB2 ALA 68 1HB ALA 68 12.358 -9.944 -0.813 499 HB3 ALA 68 2HB ALA 68 11.883 -8.253 -0.976 500 H LYS 69 H LYS 69 14.121 -7.936 -4.478 501 HA LYS 69 HA LYS 69 14.643 -5.228 -3.845 502 HB2 LYS 69 1HB LYS 69 14.051 -6.610 -6.463 503 HB3 LYS 69 2HB LYS 69 14.473 -4.907 -6.350 504 HG2 LYS 69 1HG LYS 69 16.237 -7.065 -5.238 505 HG3 LYS 69 2HG LYS 69 16.338 -6.530 -6.917 506 HD2 LYS 69 1HD LYS 69 16.481 -4.584 -4.635 507 HD3 LYS 69 2HD LYS 69 17.914 -5.440 -5.210 508 HE2 LYS 69 1HE LYS 69 16.116 -3.833 -7.013 509 HE3 LYS 69 2HE LYS 69 17.520 -3.148 -6.197 510 HZ1 LYS 69 3HZ LYS 69 18.003 -3.869 -8.476 511 HZ2 LYS 69 1HZ LYS 69 17.607 -5.460 -8.058 512 HZ3 LYS 69 2HZ LYS 69 18.936 -4.703 -7.337 513 H TYR 70 H TYR 70 13.211 -3.756 -3.240 514 HA TYR 70 HA TYR 70 10.418 -4.085 -3.454 515 HB2 TYR 70 1HB TYR 70 12.265 -2.002 -2.483 516 HB3 TYR 70 2HB TYR 70 10.700 -1.408 -3.028 517 HD1 TYR 70 2HD TYR 70 12.431 -3.494 -0.555 518 HD2 TYR 70 1HD TYR 70 8.675 -1.949 -1.823 519 HE1 TYR 70 2HE TYR 70 11.440 -4.153 1.598 520 HE2 TYR 70 1HE TYR 70 7.674 -2.602 0.327 521 HH TYR 70 HH TYR 70 9.638 -3.949 2.934 522 H LYS 71 H LYS 71 8.937 -3.332 -4.882 523 HA LYS 71 HA LYS 71 9.983 -2.234 -7.388 524 HB2 LYS 71 1HB LYS 71 8.345 -4.317 -7.052 525 HB3 LYS 71 2HB LYS 71 7.133 -3.044 -7.115 526 HG2 LYS 71 1HG LYS 71 8.532 -2.350 -9.262 527 HG3 LYS 71 2HG LYS 71 8.926 -4.071 -9.236 528 HD2 LYS 71 1HD LYS 71 6.514 -4.590 -9.166 529 HD3 LYS 71 2HD LYS 71 6.159 -2.864 -9.275 530 HE2 LYS 71 1HE LYS 71 5.966 -3.578 -11.475 531 HE3 LYS 71 2HE LYS 71 7.607 -2.936 -11.411 532 HZ1 LYS 71 3HZ LYS 71 6.700 -5.671 -11.765 533 HZ2 LYS 71 1HZ LYS 71 8.046 -5.474 -10.759 534 HZ3 LYS 71 2HZ LYS 71 8.089 -4.906 -12.351 535 H SER 72 H SER 72 8.984 -0.448 -8.416 536 HA SER 72 HA SER 72 7.072 1.133 -6.906 537 HB2 SER 72 1HB SER 72 8.489 3.159 -6.947 538 HB3 SER 72 2HB SER 72 9.205 1.879 -5.969 539 HG SER 72 HG SER 72 10.453 3.135 -7.766 540 H GLU 73 H GLU 73 5.749 2.269 -8.205 541 HA GLU 73 HA GLU 73 6.561 2.714 -10.992 542 HB2 GLU 73 1HB GLU 73 4.205 1.197 -9.985 543 HB3 GLU 73 2HB GLU 73 3.979 2.205 -11.407 544 HG2 GLU 73 1HG GLU 73 5.660 -0.226 -11.057 545 HG3 GLU 73 2HG GLU 73 4.522 0.181 -12.340 546 H ASP 74 H ASP 74 5.680 4.526 -11.985 547 HA ASP 74 HA ASP 74 4.545 6.485 -10.129 548 HB2 ASP 74 1HB ASP 74 5.407 8.168 -11.502 549 HB3 ASP 74 2HB ASP 74 6.631 6.905 -11.606 550 H THR 75 H THR 75 2.439 6.856 -10.148 551 HA THR 75 HA THR 75 0.975 6.628 -12.686 552 HB THR 75 HB THR 75 0.437 4.594 -11.541 553 HG1 THR 75 1HG THR 75 -1.868 5.091 -11.020 554 HG21 THR 75 3HG2 THR 75 0.417 6.346 -9.173 555 HG22 THR 75 1HG2 THR 75 0.857 4.645 -9.322 556 HG23 THR 75 2HG2 THR 75 -0.840 5.110 -9.208 557 H THR 76 H THR 76 -0.176 8.386 -13.131 558 HA THR 76 HA THR 76 -0.414 10.487 -11.161 559 HB THR 76 HB THR 76 -1.490 11.764 -13.039 560 HG1 THR 76 1HG THR 76 -0.659 9.613 -14.692 561 HG21 THR 76 3HG2 THR 76 0.537 12.362 -13.904 562 HG22 THR 76 1HG2 THR 76 1.055 10.693 -14.138 563 HG23 THR 76 2HG2 THR 76 1.098 11.412 -12.529 564 H SER 77 H SER 77 -1.970 7.948 -10.900 565 HA SER 77 HA SER 77 -4.622 9.193 -10.639 566 HB2 SER 77 1HB SER 77 -3.914 6.547 -11.867 567 HB3 SER 77 2HB SER 77 -5.480 6.764 -11.087 568 HG SER 77 HG SER 77 -4.674 8.729 -12.885 569 H LEU 78 H LEU 78 -6.050 7.872 -9.130 570 HA LEU 78 HA LEU 78 -4.480 7.259 -6.744 571 HB2 LEU 78 1HB LEU 78 -7.463 7.572 -7.040 572 HB3 LEU 78 2HB LEU 78 -6.562 7.467 -5.529 573 HG LEU 78 HG LEU 78 -6.016 9.698 -7.447 574 HD11 LEU 78 1HD1 LEU 78 -8.271 10.087 -7.299 575 HD12 LEU 78 2HD1 LEU 78 -7.693 10.950 -5.875 576 HD13 LEU 78 3HD1 LEU 78 -8.407 9.347 -5.704 577 HD21 LEU 78 3HD2 LEU 78 -4.570 9.223 -5.451 578 HD22 LEU 78 1HD2 LEU 78 -5.961 9.610 -4.438 579 HD23 LEU 78 2HD2 LEU 78 -5.273 10.841 -5.497 580 H SER 79 H SER 79 -4.703 5.394 -9.018 581 HA SER 79 HA SER 79 -5.328 3.034 -7.486 582 HB2 SER 79 1HB SER 79 -6.936 2.124 -9.135 583 HB3 SER 79 2HB SER 79 -7.551 3.574 -8.342 584 HG SER 79 HG SER 79 -6.707 4.721 -10.243 585 H TYR 80 H TYR 80 -4.066 1.368 -8.080 586 HA TYR 80 HA TYR 80 -2.831 1.393 -10.738 587 HB2 TYR 80 1HB TYR 80 -1.162 2.443 -9.376 588 HB3 TYR 80 2HB TYR 80 -1.352 1.236 -8.108 589 HD1 TYR 80 2HD TYR 80 -0.479 -1.053 -8.437 590 HD2 TYR 80 1HD TYR 80 0.218 2.028 -11.287 591 HE1 TYR 80 2HE TYR 80 1.327 -2.392 -9.434 592 HE2 TYR 80 1HE TYR 80 2.026 0.698 -12.292 593 HH TYR 80 HH TYR 80 3.642 -1.260 -11.298 594 H THR 81 H THR 81 -2.467 -0.597 -11.609 595 HA THR 81 HA THR 81 -3.533 -2.872 -10.098 596 HB THR 81 HB THR 81 -2.887 -2.850 -13.043 597 HG1 THR 81 1HG THR 81 -5.212 -1.952 -11.680 598 HG21 THR 81 3HG2 THR 81 -3.376 -5.023 -12.691 599 HG22 THR 81 1HG2 THR 81 -5.047 -4.462 -12.665 600 HG23 THR 81 2HG2 THR 81 -4.173 -4.697 -11.152 601 H ALA 82 H ALA 82 -2.079 -4.077 -9.077 602 HA ALA 82 HA ALA 82 0.673 -4.183 -9.996 603 HB1 ALA 82 3HB ALA 82 0.120 -3.917 -7.593 604 HB2 ALA 82 1HB ALA 82 -0.570 -5.540 -7.609 605 HB3 ALA 82 2HB ALA 82 1.150 -5.309 -7.926 606 H THR 83 H THR 83 0.785 -5.432 -11.808 607 HA THR 83 HA THR 83 -0.356 -8.137 -11.695 608 HB THR 83 HB THR 83 -0.045 -8.232 -14.112 609 HG1 THR 83 1HG THR 83 0.700 -5.526 -14.208 610 HG21 THR 83 3HG2 THR 83 -1.309 -5.575 -13.473 611 HG22 THR 83 1HG2 THR 83 -2.070 -7.111 -13.059 612 HG23 THR 83 2HG2 THR 83 -1.745 -6.714 -14.747 613 H GLY 84 H GLY 84 0.903 -9.962 -12.190 614 HA2 GLY 84 1HA GLY 84 2.867 -11.166 -12.561 615 HA3 GLY 84 2HA GLY 84 3.759 -9.652 -12.596 616 H LEU 85 H LEU 85 1.643 -11.058 -10.109 617 HA LEU 85 HA LEU 85 3.870 -10.778 -8.206 618 HB2 LEU 85 1HB LEU 85 0.998 -11.106 -7.425 619 HB3 LEU 85 2HB LEU 85 2.326 -10.416 -6.495 620 HG LEU 85 HG LEU 85 1.280 -9.064 -8.962 621 HD11 LEU 85 1HD1 LEU 85 0.075 -9.185 -6.250 622 HD12 LEU 85 2HD1 LEU 85 -0.698 -9.044 -7.828 623 HD13 LEU 85 3HD1 LEU 85 0.076 -7.638 -7.097 624 HD21 LEU 85 3HD2 LEU 85 2.979 -8.321 -6.616 625 HD22 LEU 85 1HD2 LEU 85 2.078 -7.081 -7.488 626 HD23 LEU 85 2HD2 LEU 85 3.269 -8.066 -8.338 627 H LYS 86 H LYS 86 3.227 -12.346 -6.180 628 HA LYS 86 HA LYS 86 3.353 -15.030 -7.342 629 HB2 LYS 86 1HB LYS 86 5.068 -14.040 -5.654 630 HB3 LYS 86 2HB LYS 86 3.841 -14.400 -4.447 631 HG2 LYS 86 1HG LYS 86 4.017 -16.689 -4.764 632 HG3 LYS 86 2HG LYS 86 4.754 -16.511 -6.358 633 HD2 LYS 86 1HD LYS 86 6.612 -17.051 -5.147 634 HD3 LYS 86 2HD LYS 86 6.638 -15.298 -4.942 635 HE2 LYS 86 1HE LYS 86 6.927 -16.041 -2.774 636 HE3 LYS 86 2HE LYS 86 5.183 -15.789 -2.845 637 HZ1 LYS 86 3HZ LYS 86 4.869 -17.910 -2.355 638 HZ2 LYS 86 1HZ LYS 86 6.540 -18.127 -2.202 639 HZ3 LYS 86 2HZ LYS 86 5.784 -18.406 -3.688 640 HA PRO 87 HA PRO 87 -0.789 -15.884 -6.046 641 HB2 PRO 87 1HB PRO 87 -0.703 -18.580 -6.354 642 HB3 PRO 87 2HB PRO 87 -0.813 -17.461 -7.717 643 HG2 PRO 87 1HG PRO 87 1.587 -18.864 -6.609 644 HG3 PRO 87 2HG PRO 87 1.116 -18.621 -8.301 645 HD2 PRO 87 1HD PRO 87 2.989 -17.095 -7.076 646 HD3 PRO 87 2HD PRO 87 1.922 -16.462 -8.346 647 H ASN 88 H ASN 88 -1.861 -16.578 -4.226 648 HA ASN 88 HA ASN 88 -2.135 -17.103 -2.029 649 HB2 ASN 88 1HB ASN 88 -1.402 -19.360 -3.195 650 HB3 ASN 88 2HB ASN 88 0.036 -19.152 -2.199 651 HD21 ASN 88 1HD2 ASN 88 -3.465 -19.427 -2.118 652 HD22 ASN 88 2HD2 ASN 88 -3.564 -20.037 -0.505 653 H THR 89 H THR 89 -0.201 -15.061 -2.690 654 HA THR 89 HA THR 89 1.351 -15.136 -0.206 655 HB THR 89 HB THR 89 2.597 -14.087 -2.738 656 HG1 THR 89 1HG THR 89 2.159 -16.362 -2.951 657 HG21 THR 89 3HG2 THR 89 4.677 -14.393 -1.463 658 HG22 THR 89 1HG2 THR 89 3.741 -14.978 -0.088 659 HG23 THR 89 2HG2 THR 89 3.557 -13.311 -0.634 660 H MET 90 H MET 90 1.090 -13.335 0.940 661 HA MET 90 HA MET 90 -0.104 -11.005 -0.380 662 HB2 MET 90 1HB MET 90 -1.311 -11.924 1.551 663 HB3 MET 90 2HB MET 90 0.109 -11.683 2.559 664 HG2 MET 90 1HG MET 90 -0.988 -9.331 1.126 665 HG3 MET 90 2HG MET 90 -1.891 -9.960 2.503 666 HE1 MET 90 3HE MET 90 0.071 -9.651 5.462 667 HE2 MET 90 1HE MET 90 -0.507 -10.940 4.406 668 HE3 MET 90 2HE MET 90 1.224 -10.653 4.580 669 H TYR 91 H TYR 91 0.679 -8.883 0.061 670 HA TYR 91 HA TYR 91 3.382 -8.717 1.182 671 HB2 TYR 91 1HB TYR 91 2.925 -7.077 -1.232 672 HB3 TYR 91 2HB TYR 91 4.372 -7.928 -0.703 673 HD1 TYR 91 1HD TYR 91 4.020 -10.623 -0.741 674 HD2 TYR 91 2HD TYR 91 1.995 -7.806 -3.204 675 HE1 TYR 91 1HE TYR 91 3.591 -12.389 -2.397 676 HE2 TYR 91 2HE TYR 91 1.559 -9.565 -4.867 677 HH TYR 91 HH TYR 91 1.573 -12.613 -4.368 678 H GLU 92 H GLU 92 4.039 -6.237 1.114 679 HA GLU 92 HA GLU 92 1.818 -4.821 2.405 680 HB2 GLU 92 1HB GLU 92 3.497 -4.719 3.947 681 HB3 GLU 92 2HB GLU 92 4.764 -4.820 2.733 682 HG2 GLU 92 1HG GLU 92 4.570 -2.516 2.211 683 HG3 GLU 92 2HG GLU 92 3.091 -2.362 3.158 684 H PHE 93 H PHE 93 0.867 -3.163 1.432 685 HA PHE 93 HA PHE 93 2.219 -1.940 -0.879 686 HB2 PHE 93 1HB PHE 93 -0.728 -2.227 -0.265 687 HB3 PHE 93 2HB PHE 93 -0.088 -1.296 -1.616 688 HD1 PHE 93 2HD PHE 93 -0.001 -4.715 -0.148 689 HD2 PHE 93 1HD PHE 93 0.221 -2.320 -3.660 690 HE1 PHE 93 2HE PHE 93 0.030 -6.750 -1.530 691 HE2 PHE 93 1HE PHE 93 0.252 -4.351 -5.047 692 HZ PHE 93 HZ PHE 93 0.157 -6.570 -3.983 693 H SER 94 H SER 94 2.087 0.319 -1.174 694 HA SER 94 HA SER 94 0.958 1.964 0.922 695 HB2 SER 94 1HB SER 94 3.409 1.157 1.513 696 HB3 SER 94 2HB SER 94 3.862 2.446 0.398 697 HG SER 94 HG SER 94 3.388 2.793 2.865 698 H VAL 95 H VAL 95 1.052 4.258 0.413 699 HA VAL 95 HA VAL 95 1.734 4.888 -2.366 700 HB VAL 95 HB VAL 95 -0.937 5.558 -1.122 701 HG11 VAL 95 1HG1 VAL 95 -1.500 6.638 -3.145 702 HG12 VAL 95 2HG1 VAL 95 0.098 7.243 -2.705 703 HG13 VAL 95 3HG1 VAL 95 -0.067 6.018 -3.963 704 HG21 VAL 95 3HG2 VAL 95 -0.458 3.145 -1.912 705 HG22 VAL 95 1HG2 VAL 95 -1.929 3.944 -2.468 706 HG23 VAL 95 2HG2 VAL 95 -0.530 3.830 -3.535 707 H MET 96 H MET 96 2.244 7.044 -2.753 708 HA MET 96 HA MET 96 2.109 8.919 -0.518 709 HB2 MET 96 1HB MET 96 4.496 9.546 -0.842 710 HB3 MET 96 2HB MET 96 4.279 7.920 -0.210 711 HG2 MET 96 1HG MET 96 4.724 6.964 -2.366 712 HG3 MET 96 2HG MET 96 4.781 8.563 -3.104 713 HE1 MET 96 3HE MET 96 7.746 10.149 -1.189 714 HE2 MET 96 1HE MET 96 7.398 10.127 -2.919 715 HE3 MET 96 2HE MET 96 6.091 10.374 -1.760 716 H VAL 97 H VAL 97 3.395 11.046 -1.443 717 HA VAL 97 HA VAL 97 2.550 11.512 -4.207 718 HB VAL 97 HB VAL 97 0.653 12.269 -2.912 719 HG11 VAL 97 1HG1 VAL 97 1.093 12.830 -0.787 720 HG12 VAL 97 2HG1 VAL 97 2.745 13.326 -1.159 721 HG13 VAL 97 3HG1 VAL 97 1.405 14.439 -1.439 722 HG21 VAL 97 3HG2 VAL 97 1.762 14.917 -3.429 723 HG22 VAL 97 1HG2 VAL 97 2.023 13.778 -4.750 724 HG23 VAL 97 2HG2 VAL 97 0.388 14.100 -4.172 725 H THR 98 H THR 98 3.791 12.966 -5.312 726 HA THR 98 HA THR 98 5.980 14.249 -3.810 727 HB THR 98 HB THR 98 6.117 13.020 -6.570 728 HG1 THR 98 1HG THR 98 6.808 11.339 -5.502 729 HG21 THR 98 3HG2 THR 98 7.971 14.194 -6.979 730 HG22 THR 98 1HG2 THR 98 8.641 13.803 -5.396 731 HG23 THR 98 2HG2 THR 98 7.567 15.189 -5.581 732 H LYS 99 H LYS 99 5.078 16.276 -3.683 733 HA LYS 99 HA LYS 99 4.681 17.658 -6.255 734 HB2 LYS 99 1HB LYS 99 2.613 17.196 -4.709 735 HB3 LYS 99 2HB LYS 99 3.254 18.539 -3.772 736 HG2 LYS 99 1HG LYS 99 2.947 20.059 -5.526 737 HG3 LYS 99 2HG LYS 99 2.744 18.772 -6.718 738 HD2 LYS 99 1HD LYS 99 0.585 19.674 -6.286 739 HD3 LYS 99 2HD LYS 99 0.658 18.101 -5.487 740 HE2 LYS 99 1HE LYS 99 1.440 20.504 -3.922 741 HE3 LYS 99 2HE LYS 99 -0.273 20.261 -4.263 742 HZ1 LYS 99 3HZ LYS 99 1.472 18.813 -2.479 743 HZ2 LYS 99 1HZ LYS 99 0.492 17.821 -3.437 744 HZ3 LYS 99 2HZ LYS 99 -0.210 18.992 -2.440 745 H ASN 100 H ASN 100 5.291 19.870 -6.328 746 HA ASN 100 HA ASN 100 6.535 21.714 -5.826 747 HB2 ASN 100 1HB ASN 100 5.374 21.379 -3.533 748 HB3 ASN 100 2HB ASN 100 6.921 20.715 -3.015 749 HD21 ASN 100 1HD2 ASN 100 5.328 23.561 -4.305 750 HD22 ASN 100 2HD2 ASN 100 6.494 24.702 -3.735 751 H ARG 101 H ARG 101 7.703 19.345 -6.874 752 HA ARG 101 HA ARG 101 9.726 18.405 -7.322 753 HB2 ARG 101 1HB ARG 101 10.526 21.099 -6.252 754 HB3 ARG 101 2HB ARG 101 11.733 19.931 -6.772 755 HG2 ARG 101 1HG ARG 101 9.497 20.634 -8.613 756 HG3 ARG 101 2HG ARG 101 10.850 21.751 -8.416 757 HD2 ARG 101 1HD ARG 101 12.300 19.624 -8.818 758 HD3 ARG 101 2HD ARG 101 10.822 18.979 -9.531 759 HE ARG 101 HE ARG 101 11.202 21.448 -10.690 760 HH11 ARG 101 1HH1 ARG 101 12.971 18.458 -10.462 761 HH12 ARG 101 2HH1 ARG 101 13.760 18.657 -11.991 762 HH21 ARG 101 1HH2 ARG 101 12.234 21.721 -12.705 763 HH22 ARG 101 2HH2 ARG 101 13.341 20.513 -13.266 764 H ARG 102 H ARG 102 8.467 17.822 -4.766 765 HA ARG 102 HA ARG 102 10.804 16.722 -3.424 766 HB2 ARG 102 1HB ARG 102 10.328 17.587 -1.285 767 HB3 ARG 102 2HB ARG 102 10.201 18.966 -2.370 768 HG2 ARG 102 1HG ARG 102 7.883 19.037 -2.211 769 HG3 ARG 102 2HG ARG 102 7.780 17.381 -1.610 770 HD2 ARG 102 1HD ARG 102 8.948 19.729 -0.119 771 HD3 ARG 102 2HD ARG 102 7.355 19.027 0.158 772 HE ARG 102 HE ARG 102 9.562 17.179 0.406 773 HH11 ARG 102 1HH1 ARG 102 7.463 19.433 2.030 774 HH12 ARG 102 2HH1 ARG 102 7.714 18.738 3.597 775 HH21 ARG 102 1HH2 ARG 102 9.900 16.255 2.464 776 HH22 ARG 102 2HH2 ARG 102 9.101 16.931 3.843 777 H SER 103 H SER 103 10.307 14.960 -2.008 778 HA SER 103 HA SER 103 7.757 13.675 -2.696 779 HB2 SER 103 1HB SER 103 8.887 11.563 -2.017 780 HB3 SER 103 2HB SER 103 9.717 12.387 -3.337 781 HG SER 103 HG SER 103 10.512 12.997 -0.737 782 H SER 104 H SER 104 6.380 12.901 -1.146 783 HA SER 104 HA SER 104 6.852 13.894 1.570 784 HB2 SER 104 1HB SER 104 4.530 13.954 1.868 785 HB3 SER 104 2HB SER 104 4.723 14.407 0.175 786 HG SER 104 HG SER 104 4.124 11.803 1.137 787 H THR 105 H THR 105 5.385 12.377 3.159 788 HA THR 105 HA THR 105 6.868 9.899 3.250 789 HB THR 105 HB THR 105 6.441 11.251 5.299 790 HG1 THR 105 1HG THR 105 6.918 9.090 5.613 791 HG21 THR 105 3HG2 THR 105 3.619 10.206 5.125 792 HG22 THR 105 1HG2 THR 105 4.075 11.841 4.649 793 HG23 THR 105 2HG2 THR 105 4.289 11.316 6.319 794 H TRP 106 H TRP 106 5.716 7.842 3.788 795 HA TRP 106 HA TRP 106 3.635 7.397 1.826 796 HB2 TRP 106 1HB TRP 106 4.977 5.451 3.716 797 HB3 TRP 106 2HB TRP 106 3.922 5.023 2.372 798 HD1 TRP 106 HD TRP 106 7.452 6.306 3.116 799 HE1 TRP 106 1HE TRP 106 8.895 6.008 1.006 800 HE3 TRP 106 3HE TRP 106 3.805 4.864 -0.164 801 HZ2 TRP 106 2HZ TRP 106 8.535 5.260 -1.692 802 HZ3 TRP 106 3HZ TRP 106 4.438 4.376 -2.491 803 HH2 TRP 106 HH TRP 106 6.755 4.571 -3.238 804 H SER 107 H SER 107 1.744 5.993 2.436 805 HA SER 107 HA SER 107 0.607 6.969 4.967 806 HB2 SER 107 1HB SER 107 -0.714 7.744 3.144 807 HB3 SER 107 2HB SER 107 -0.688 6.164 2.361 808 HG SER 107 HG SER 107 -1.938 5.373 4.114 809 H MET 108 H MET 108 -1.143 5.456 5.858 810 HA MET 108 HA MET 108 -0.108 3.213 6.932 811 HB2 MET 108 1HB MET 108 -2.446 2.346 7.148 812 HB3 MET 108 2HB MET 108 -2.244 4.014 7.665 813 HG2 MET 108 1HG MET 108 -3.445 4.854 5.906 814 HG3 MET 108 2HG MET 108 -3.099 3.471 4.869 815 HE1 MET 108 3HE MET 108 -5.622 1.789 4.411 816 HE2 MET 108 1HE MET 108 -3.967 1.415 4.892 817 HE3 MET 108 2HE MET 108 -5.321 0.758 5.811 818 H THR 109 H THR 109 0.208 1.096 6.419 819 HA THR 109 HA THR 109 0.294 0.428 3.621 820 HB THR 109 HB THR 109 1.122 -0.998 6.131 821 HG1 THR 109 1HG THR 109 2.371 0.151 3.878 822 HG21 THR 109 3HG2 THR 109 1.075 -2.167 3.347 823 HG22 THR 109 1HG2 THR 109 0.119 -2.716 4.722 824 HG23 THR 109 2HG2 THR 109 1.875 -2.888 4.744 825 H ALA 110 H ALA 110 -0.779 -1.305 2.608 826 HA ALA 110 HA ALA 110 -3.244 -2.174 3.974 827 HB1 ALA 110 3HB ALA 110 -3.207 -2.170 1.024 828 HB2 ALA 110 1HB ALA 110 -4.497 -1.739 2.147 829 HB3 ALA 110 2HB ALA 110 -3.202 -0.590 1.807 830 H HIS 111 H HIS 111 -3.292 -4.273 4.394 831 HA HIS 111 HA HIS 111 -1.511 -6.079 2.955 832 HB2 HIS 111 1HB HIS 111 -3.069 -6.261 5.513 833 HB3 HIS 111 2HB HIS 111 -2.476 -7.725 4.734 834 HD1 HIS 111 1HD HIS 111 0.271 -6.408 3.797 835 HD2 HIS 111 2HD HIS 111 -1.304 -6.371 7.642 836 HE1 HIS 111 1HE HIS 111 2.239 -6.076 5.327 837 HE2 HIS 111 2HE HIS 111 1.273 -6.142 7.652 838 H ALA 112 H ALA 112 -2.178 -7.400 1.397 839 HA ALA 112 HA ALA 112 -4.908 -8.389 1.352 840 HB1 ALA 112 3HB ALA 112 -4.347 -7.491 -1.302 841 HB2 ALA 112 1HB ALA 112 -5.695 -7.068 -0.245 842 HB3 ALA 112 2HB ALA 112 -4.198 -6.137 -0.182 843 H THR 113 H THR 113 -4.578 -10.506 1.181 844 HA THR 113 HA THR 113 -2.269 -11.582 -0.168 845 HB THR 113 HB THR 113 -4.581 -13.236 0.810 846 HG1 THR 113 1HG THR 113 -2.632 -12.932 2.665 847 HG21 THR 113 3HG2 THR 113 -2.854 -14.443 -0.354 848 HG22 THR 113 1HG2 THR 113 -2.727 -14.806 1.366 849 HG23 THR 113 2HG2 THR 113 -1.600 -13.674 0.618 850 H THR 114 H THR 114 -2.268 -12.911 -1.994 851 HA THR 114 HA THR 114 -4.365 -12.305 -3.904 852 HB THR 114 HB THR 114 -2.872 -13.608 -5.493 853 HG1 THR 114 1HG THR 114 -0.894 -14.239 -4.776 854 HG21 THR 114 3HG2 THR 114 -1.563 -11.750 -5.928 855 HG22 THR 114 1HG2 THR 114 -1.303 -11.402 -4.219 856 HG23 THR 114 2HG2 THR 114 -2.863 -11.049 -4.964 857 H TYR 115 H TYR 115 -5.280 -14.013 -5.280 858 HA TYR 115 HA TYR 115 -6.336 -16.136 -3.676 859 HB2 TYR 115 1HB TYR 115 -6.642 -15.607 -6.639 860 HB3 TYR 115 2HB TYR 115 -7.604 -16.739 -5.694 861 HD1 TYR 115 2HD TYR 115 -9.010 -15.786 -3.778 862 HD2 TYR 115 1HD TYR 115 -7.292 -13.367 -6.828 863 HE1 TYR 115 2HE TYR 115 -10.608 -13.993 -3.249 864 HE2 TYR 115 1HE TYR 115 -8.885 -11.567 -6.307 865 HH TYR 115 HH TYR 115 -11.466 -11.695 -5.074 866 H GLU 116 H GLU 116 -5.956 -18.314 -3.797 867 HA GLU 116 HA GLU 116 -3.382 -19.168 -4.547 868 HB2 GLU 116 1HB GLU 116 -5.170 -20.174 -2.878 869 HB3 GLU 116 2HB GLU 116 -5.611 -21.137 -4.282 870 HG2 GLU 116 1HG GLU 116 -3.346 -21.990 -4.439 871 HG3 GLU 116 2HG GLU 116 -2.857 -20.983 -3.077 872 H ALA 117 H ALA 117 -2.667 -19.330 -6.563 873 HA ALA 117 HA ALA 117 -4.093 -19.330 -8.898 874 HB1 ALA 117 3HB ALA 117 -1.445 -19.464 -8.262 875 HB2 ALA 117 1HB ALA 117 -1.711 -21.024 -9.042 876 HB3 ALA 117 2HB ALA 117 -2.099 -19.531 -9.899 877 H SER 118 H SER 118 -3.296 -22.088 -6.866 878 HA SER 118 HA SER 118 -4.190 -24.069 -8.710 879 HB2 SER 118 1HB SER 118 -2.592 -24.472 -6.802 880 HB3 SER 118 2HB SER 118 -3.967 -24.342 -5.706 881 HG SER 118 HG SER 118 -4.911 -26.109 -6.812 882 H GLY 119 H GLY 119 -5.630 -22.667 -5.767 883 HA2 GLY 119 1HA GLY 119 -8.055 -24.069 -5.873 884 HA3 GLY 119 2HA GLY 119 -7.812 -22.524 -5.072 885 HA PRO 120 HA PRO 120 -9.771 -22.139 -9.524 886 HB2 PRO 120 1HB PRO 120 -12.030 -23.645 -9.561 887 HB3 PRO 120 2HB PRO 120 -10.469 -24.240 -10.138 888 HG2 PRO 120 1HG PRO 120 -11.818 -24.705 -7.506 889 HG3 PRO 120 2HG PRO 120 -10.954 -25.858 -8.540 890 HD2 PRO 120 1HD PRO 120 -9.824 -24.734 -6.352 891 HD3 PRO 120 2HD PRO 120 -8.885 -25.171 -7.793 892 H SER 121 H SER 121 -12.193 -21.458 -10.001 893 HA SER 121 HA SER 121 -12.946 -19.699 -7.797 894 HB2 SER 121 1HB SER 121 -12.616 -18.766 -10.088 895 HB3 SER 121 2HB SER 121 -13.981 -19.735 -10.642 896 HG SER 121 HG SER 121 -13.941 -17.448 -9.061 897 H SER 122 H SER 122 -15.337 -19.303 -7.503 898 HA SER 122 HA SER 122 -17.213 -21.318 -8.180 899 HB2 SER 122 1HB SER 122 -17.490 -22.447 -6.091 900 HB3 SER 122 2HB SER 122 -15.770 -22.518 -6.476 901 HG SER 122 HG SER 122 -15.446 -20.780 -5.043 902 H GLY 123 H GLY 123 -19.301 -21.020 -6.988 903 HA2 GLY 123 1HA GLY 123 -19.557 -18.342 -5.800 904 HA3 GLY 123 2HA GLY 123 -20.556 -18.764 -7.183 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -22.212 21.315 -11.328 2 HA2 GLY 1 1HA GLY 1 -19.435 21.599 -11.097 3 HA3 GLY 1 2HA GLY 1 -20.185 22.819 -10.079 4 H SER 2 H SER 2 -20.078 19.338 -10.713 5 HA SER 2 HA SER 2 -21.325 18.716 -8.184 6 HB2 SER 2 1HB SER 2 -21.606 17.334 -10.284 7 HB3 SER 2 2HB SER 2 -19.939 16.802 -10.069 8 HG SER 2 HG SER 2 -21.660 16.578 -7.887 9 H SER 3 H SER 3 -20.346 17.705 -6.422 10 HA SER 3 HA SER 3 -17.417 17.576 -6.411 11 HB2 SER 3 1HB SER 3 -17.401 18.667 -4.157 12 HB3 SER 3 2HB SER 3 -17.902 19.744 -5.460 13 HG SER 3 HG SER 3 -19.890 18.320 -4.120 14 H GLY 4 H GLY 4 -16.763 16.697 -4.069 15 HA2 GLY 4 1HA GLY 4 -18.485 14.339 -3.611 16 HA3 GLY 4 2HA GLY 4 -16.732 14.311 -3.485 17 H SER 5 H SER 5 -17.336 13.331 -1.361 18 HA SER 5 HA SER 5 -16.992 15.256 0.703 19 HB2 SER 5 1HB SER 5 -19.698 13.948 0.415 20 HB3 SER 5 2HB SER 5 -19.121 14.607 1.946 21 HG SER 5 HG SER 5 -18.693 16.547 0.400 22 H SER 6 H SER 6 -16.307 14.331 2.618 23 HA SER 6 HA SER 6 -16.052 11.394 2.584 24 HB2 SER 6 1HB SER 6 -13.996 11.951 4.110 25 HB3 SER 6 2HB SER 6 -13.851 12.110 2.359 26 HG SER 6 HG SER 6 -14.355 14.191 4.223 27 H GLY 7 H GLY 7 -16.194 14.224 4.742 28 HA2 GLY 7 1HA GLY 7 -16.910 14.421 6.922 29 HA3 GLY 7 2HA GLY 7 -18.227 13.394 6.375 30 H PHE 8 H PHE 8 -14.864 13.216 7.519 31 HA PHE 8 HA PHE 8 -15.608 10.780 8.994 32 HB2 PHE 8 1HB PHE 8 -13.265 11.282 7.212 33 HB3 PHE 8 2HB PHE 8 -13.039 10.255 8.624 34 HD1 PHE 8 2HD PHE 8 -15.155 8.531 8.890 35 HD2 PHE 8 1HD PHE 8 -13.629 10.154 5.263 36 HE1 PHE 8 2HE PHE 8 -16.083 6.621 7.649 37 HE2 PHE 8 1HE PHE 8 -14.556 8.246 4.016 38 HZ PHE 8 HZ PHE 8 -15.784 6.476 5.209 39 HA PRO 9 HA PRO 9 -14.205 13.209 12.434 40 HB2 PRO 9 1HB PRO 9 -14.428 11.250 14.301 41 HB3 PRO 9 2HB PRO 9 -15.822 12.122 13.652 42 HG2 PRO 9 1HG PRO 9 -14.758 9.425 12.904 43 HG3 PRO 9 2HG PRO 9 -16.438 9.937 13.147 44 HD2 PRO 9 1HD PRO 9 -15.335 9.678 10.687 45 HD3 PRO 9 2HD PRO 9 -16.584 10.886 11.051 46 H THR 10 H THR 10 -12.551 10.840 10.838 47 HA THR 10 HA THR 10 -10.616 9.769 12.375 48 HB THR 10 HB THR 10 -10.703 9.546 9.911 49 HG1 THR 10 1HG THR 10 -8.785 8.983 11.112 50 HG21 THR 10 3HG2 THR 10 -10.455 12.353 9.977 51 HG22 THR 10 1HG2 THR 10 -10.558 11.310 8.558 52 HG23 THR 10 2HG2 THR 10 -8.983 11.735 9.229 53 H SER 11 H SER 11 -8.641 10.364 13.264 54 HA SER 11 HA SER 11 -8.502 13.009 14.305 55 HB2 SER 11 1HB SER 11 -7.599 10.722 15.264 56 HB3 SER 11 2HB SER 11 -6.141 11.171 14.380 57 HG SER 11 HG SER 11 -6.256 11.917 16.608 58 H VAL 12 H VAL 12 -6.243 14.143 14.232 59 HA VAL 12 HA VAL 12 -5.713 14.679 11.415 60 HB VAL 12 HB VAL 12 -4.503 16.655 12.196 61 HG11 VAL 12 1HG1 VAL 12 -6.502 17.685 13.520 62 HG12 VAL 12 2HG1 VAL 12 -6.718 17.188 11.841 63 HG13 VAL 12 3HG1 VAL 12 -7.287 16.150 13.149 64 HG21 VAL 12 3HG2 VAL 12 -5.271 15.830 14.992 65 HG22 VAL 12 1HG2 VAL 12 -3.664 15.601 14.301 66 HG23 VAL 12 2HG2 VAL 12 -4.310 17.228 14.511 67 HA PRO 13 HA PRO 13 -1.886 12.512 11.305 68 HB2 PRO 13 1HB PRO 13 -0.638 13.906 9.339 69 HB3 PRO 13 2HB PRO 13 -1.966 12.783 9.025 70 HG2 PRO 13 1HG PRO 13 -2.023 15.767 9.250 71 HG3 PRO 13 2HG PRO 13 -2.840 14.718 8.077 72 HD2 PRO 13 1HD PRO 13 -4.114 15.776 10.219 73 HD3 PRO 13 2HD PRO 13 -4.539 14.191 9.542 74 H ASP 14 H ASP 14 -0.267 12.633 12.715 75 HA ASP 14 HA ASP 14 0.630 15.197 13.717 76 HB2 ASP 14 1HB ASP 14 1.500 12.391 14.442 77 HB3 ASP 14 2HB ASP 14 1.968 13.859 15.295 78 H LEU 15 H LEU 15 1.244 14.977 11.048 79 HA LEU 15 HA LEU 15 4.136 14.435 11.017 80 HB2 LEU 15 1HB LEU 15 2.032 14.391 8.890 81 HB3 LEU 15 2HB LEU 15 3.728 14.611 8.463 82 HG LEU 15 HG LEU 15 2.850 12.263 10.109 83 HD11 LEU 15 1HD1 LEU 15 3.010 11.156 7.698 84 HD12 LEU 15 2HD1 LEU 15 2.412 12.744 7.219 85 HD13 LEU 15 3HD1 LEU 15 1.493 11.763 8.361 86 HD21 LEU 15 3HD2 LEU 15 5.269 12.914 9.833 87 HD22 LEU 15 1HD2 LEU 15 5.092 12.537 8.119 88 HD23 LEU 15 2HD2 LEU 15 4.858 11.274 9.328 89 H SER 16 H SER 16 5.336 16.190 11.275 90 HA SER 16 HA SER 16 4.288 18.812 10.595 91 HB2 SER 16 1HB SER 16 5.536 18.391 12.729 92 HB3 SER 16 2HB SER 16 6.988 18.108 11.768 93 HG SER 16 HG SER 16 6.273 20.334 10.864 94 H THR 17 H THR 17 4.624 17.248 8.344 95 HA THR 17 HA THR 17 7.085 18.251 7.090 96 HB THR 17 HB THR 17 6.610 16.629 5.278 97 HG1 THR 17 1HG THR 17 4.819 15.444 5.295 98 HG21 THR 17 3HG2 THR 17 7.095 15.878 8.091 99 HG22 THR 17 1HG2 THR 17 8.068 15.574 6.653 100 HG23 THR 17 2HG2 THR 17 6.672 14.554 7.005 101 HA PRO 18 HA PRO 18 4.902 21.189 4.657 102 HB2 PRO 18 1HB PRO 18 6.465 21.247 2.438 103 HB3 PRO 18 2HB PRO 18 6.958 21.958 3.979 104 HG2 PRO 18 1HG PRO 18 7.701 19.313 2.789 105 HG3 PRO 18 2HG PRO 18 8.729 20.493 3.623 106 HD2 PRO 18 1HD PRO 18 7.775 18.272 4.843 107 HD3 PRO 18 2HD PRO 18 8.051 19.795 5.712 108 H MET 19 H MET 19 4.821 17.971 4.038 109 HA MET 19 HA MET 19 3.031 18.349 1.734 110 HB2 MET 19 1HB MET 19 5.025 16.112 2.128 111 HB3 MET 19 2HB MET 19 3.796 16.143 0.870 112 HG2 MET 19 1HG MET 19 5.803 18.348 1.138 113 HG3 MET 19 2HG MET 19 6.177 16.860 0.271 114 HE1 MET 19 3HE MET 19 3.104 16.565 -1.859 115 HE2 MET 19 1HE MET 19 4.629 16.681 -2.737 116 HE3 MET 19 2HE MET 19 4.560 15.816 -1.202 117 H LEU 20 H LEU 20 1.917 15.969 1.429 118 HA LEU 20 HA LEU 20 1.208 14.718 3.915 119 HB2 LEU 20 1HB LEU 20 -0.132 16.914 3.717 120 HB3 LEU 20 2HB LEU 20 -1.043 16.068 2.468 121 HG LEU 20 HG LEU 20 -2.270 15.937 4.512 122 HD11 LEU 20 1HD1 LEU 20 -0.916 13.271 4.187 123 HD12 LEU 20 2HD1 LEU 20 -2.098 13.903 3.041 124 HD13 LEU 20 3HD1 LEU 20 -2.568 13.596 4.713 125 HD21 LEU 20 3HD2 LEU 20 -1.164 14.667 6.460 126 HD22 LEU 20 1HD2 LEU 20 -0.747 16.363 6.217 127 HD23 LEU 20 2HD2 LEU 20 0.359 15.098 5.680 128 HA PRO 21 HA PRO 21 0.833 11.652 0.666 129 HB2 PRO 21 1HB PRO 21 0.714 9.530 2.355 130 HB3 PRO 21 2HB PRO 21 2.228 10.338 1.932 131 HG2 PRO 21 1HG PRO 21 0.528 10.659 4.375 132 HG3 PRO 21 2HG PRO 21 2.293 10.541 4.248 133 HD2 PRO 21 1HD PRO 21 1.010 12.904 4.564 134 HD3 PRO 21 2HD PRO 21 2.523 12.755 3.649 135 HA PRO 22 HA PRO 22 -3.444 10.649 0.492 136 HB2 PRO 22 1HB PRO 22 -3.459 8.074 -0.370 137 HB3 PRO 22 2HB PRO 22 -3.012 9.433 -1.409 138 HG2 PRO 22 1HG PRO 22 -1.248 7.513 0.062 139 HG3 PRO 22 2HG PRO 22 -1.092 8.134 -1.592 140 HD2 PRO 22 1HD PRO 22 0.356 9.114 0.476 141 HD3 PRO 22 2HD PRO 22 -0.161 10.123 -0.891 142 H VAL 23 H VAL 23 -5.092 8.859 1.120 143 HA VAL 23 HA VAL 23 -4.334 7.467 3.577 144 HB VAL 23 HB VAL 23 -6.264 8.313 4.807 145 HG11 VAL 23 1HG1 VAL 23 -4.228 9.469 5.214 146 HG12 VAL 23 2HG1 VAL 23 -4.389 10.408 3.728 147 HG13 VAL 23 3HG1 VAL 23 -5.493 10.690 5.075 148 HG21 VAL 23 3HG2 VAL 23 -7.794 9.845 3.996 149 HG22 VAL 23 1HG2 VAL 23 -6.704 10.421 2.734 150 HG23 VAL 23 2HG2 VAL 23 -7.489 8.849 2.573 151 H GLY 24 H GLY 24 -6.526 6.347 4.423 152 HA2 GLY 24 1HA GLY 24 -7.903 4.550 4.012 153 HA3 GLY 24 2HA GLY 24 -8.556 5.571 2.740 154 H VAL 25 H VAL 25 -5.320 4.153 2.980 155 HA VAL 25 HA VAL 25 -5.320 3.296 0.287 156 HB VAL 25 HB VAL 25 -3.536 2.227 2.471 157 HG11 VAL 25 1HG1 VAL 25 -2.358 1.260 0.846 158 HG12 VAL 25 2HG1 VAL 25 -3.718 1.605 -0.224 159 HG13 VAL 25 3HG1 VAL 25 -2.362 2.729 -0.129 160 HG21 VAL 25 3HG2 VAL 25 -2.855 4.328 2.796 161 HG22 VAL 25 1HG2 VAL 25 -2.151 4.240 1.182 162 HG23 VAL 25 2HG2 VAL 25 -3.763 4.920 1.405 163 H GLN 26 H GLN 26 -6.452 1.676 -0.539 164 HA GLN 26 HA GLN 26 -6.947 -0.695 1.139 165 HB2 GLN 26 1HB GLN 26 -9.032 0.405 0.690 166 HB3 GLN 26 2HB GLN 26 -8.654 0.541 -1.022 167 HG2 GLN 26 1HG GLN 26 -8.984 -1.744 -1.394 168 HG3 GLN 26 2HG GLN 26 -8.903 -2.123 0.325 169 HE21 GLN 26 1HE2 GLN 26 -10.874 -3.177 0.316 170 HE22 GLN 26 2HE2 GLN 26 -12.376 -2.336 0.170 171 H ALA 27 H ALA 27 -6.366 -2.652 0.378 172 HA ALA 27 HA ALA 27 -5.149 -2.736 -2.303 173 HB1 ALA 27 3HB ALA 27 -4.573 -4.504 0.072 174 HB2 ALA 27 1HB ALA 27 -3.759 -4.555 -1.492 175 HB3 ALA 27 2HB ALA 27 -3.588 -3.139 -0.454 176 H VAL 28 H VAL 28 -6.719 -3.450 -3.641 177 HA VAL 28 HA VAL 28 -8.422 -5.676 -2.820 178 HB VAL 28 HB VAL 28 -8.517 -4.123 -5.407 179 HG11 VAL 28 1HG1 VAL 28 -9.839 -5.881 -5.909 180 HG12 VAL 28 2HG1 VAL 28 -10.107 -6.300 -4.216 181 HG13 VAL 28 3HG1 VAL 28 -11.027 -4.990 -4.958 182 HG21 VAL 28 3HG2 VAL 28 -8.973 -3.058 -2.931 183 HG22 VAL 28 1HG2 VAL 28 -9.683 -2.474 -4.436 184 HG23 VAL 28 2HG2 VAL 28 -10.586 -3.589 -3.409 185 H ALA 29 H ALA 29 -8.284 -7.695 -3.626 186 HA ALA 29 HA ALA 29 -6.002 -8.292 -5.350 187 HB1 ALA 29 3HB ALA 29 -7.734 -9.993 -3.580 188 HB2 ALA 29 1HB ALA 29 -6.581 -10.685 -4.722 189 HB3 ALA 29 2HB ALA 29 -6.014 -9.637 -3.420 190 H LEU 30 H LEU 30 -6.349 -8.371 -7.466 191 HA LEU 30 HA LEU 30 -8.998 -8.852 -8.529 192 HB2 LEU 30 1HB LEU 30 -6.411 -8.444 -10.017 193 HB3 LEU 30 2HB LEU 30 -8.042 -8.324 -10.674 194 HG LEU 30 HG LEU 30 -7.000 -6.472 -8.541 195 HD11 LEU 30 1HD1 LEU 30 -7.222 -5.471 -11.292 196 HD12 LEU 30 2HD1 LEU 30 -5.899 -6.603 -11.012 197 HD13 LEU 30 3HD1 LEU 30 -6.018 -5.130 -10.048 198 HD21 LEU 30 3HD2 LEU 30 -9.101 -5.760 -8.521 199 HD22 LEU 30 1HD2 LEU 30 -9.535 -6.894 -9.801 200 HD23 LEU 30 2HD2 LEU 30 -8.929 -5.289 -10.213 201 H THR 31 H THR 31 -5.785 -10.351 -8.876 202 HA THR 31 HA THR 31 -7.060 -12.956 -9.159 203 HB THR 31 HB THR 31 -6.688 -11.882 -11.478 204 HG1 THR 31 1HG THR 31 -7.121 -14.034 -11.456 205 HG21 THR 31 3HG2 THR 31 -4.626 -11.323 -12.111 206 HG22 THR 31 1HG2 THR 31 -4.015 -12.923 -11.690 207 HG23 THR 31 2HG2 THR 31 -4.079 -11.653 -10.467 208 H HIS 32 H HIS 32 -5.210 -14.672 -9.461 209 HA HIS 32 HA HIS 32 -3.708 -14.766 -7.157 210 HB2 HIS 32 1HB HIS 32 -2.310 -16.488 -8.372 211 HB3 HIS 32 2HB HIS 32 -4.047 -16.777 -8.393 212 HD1 HIS 32 1HD HIS 32 -5.276 -16.056 -10.693 213 HD2 HIS 32 2HD HIS 32 -1.140 -16.421 -10.830 214 HE1 HIS 32 1HE HIS 32 -4.697 -16.235 -13.134 215 HE2 HIS 32 2HE HIS 32 -2.198 -16.541 -13.187 216 H ASP 33 H ASP 33 -2.830 -13.430 -10.293 217 HA ASP 33 HA ASP 33 -0.346 -12.402 -9.084 218 HB2 ASP 33 1HB ASP 33 -0.847 -13.070 -11.992 219 HB3 ASP 33 2HB ASP 33 0.649 -12.419 -11.329 220 H ALA 34 H ALA 34 -2.748 -11.043 -8.783 221 HA ALA 34 HA ALA 34 -2.081 -8.536 -10.050 222 HB1 ALA 34 3HB ALA 34 -4.193 -8.156 -11.120 223 HB2 ALA 34 1HB ALA 34 -3.523 -9.671 -11.725 224 HB3 ALA 34 2HB ALA 34 -4.821 -9.695 -10.531 225 H VAL 35 H VAL 35 -2.838 -6.765 -8.927 226 HA VAL 35 HA VAL 35 -4.791 -7.107 -6.809 227 HB VAL 35 HB VAL 35 -1.889 -6.582 -6.262 228 HG11 VAL 35 1HG1 VAL 35 -2.804 -4.695 -5.227 229 HG12 VAL 35 2HG1 VAL 35 -4.251 -5.565 -4.714 230 HG13 VAL 35 3HG1 VAL 35 -2.702 -5.889 -3.934 231 HG21 VAL 35 3HG2 VAL 35 -2.364 -8.796 -5.817 232 HG22 VAL 35 1HG2 VAL 35 -2.627 -8.053 -4.239 233 HG23 VAL 35 2HG2 VAL 35 -4.003 -8.445 -5.269 234 H ARG 36 H ARG 36 -6.097 -5.422 -7.011 235 HA ARG 36 HA ARG 36 -5.122 -2.954 -8.207 236 HB2 ARG 36 1HB ARG 36 -7.196 -3.779 -9.091 237 HB3 ARG 36 2HB ARG 36 -7.889 -3.916 -7.481 238 HG2 ARG 36 1HG ARG 36 -8.837 -1.997 -8.486 239 HG3 ARG 36 2HG ARG 36 -7.679 -1.426 -7.283 240 HD2 ARG 36 1HD ARG 36 -7.080 -0.092 -9.030 241 HD3 ARG 36 2HD ARG 36 -6.047 -1.480 -9.366 242 HE ARG 36 HE ARG 36 -7.205 -1.781 -11.301 243 HH11 ARG 36 1HH1 ARG 36 -9.207 0.016 -9.091 244 HH12 ARG 36 2HH1 ARG 36 -10.487 0.249 -10.235 245 HH21 ARG 36 1HH2 ARG 36 -8.884 -1.481 -12.816 246 HH22 ARG 36 2HH2 ARG 36 -10.303 -0.604 -12.353 247 H VAL 37 H VAL 37 -4.155 -1.590 -6.845 248 HA VAL 37 HA VAL 37 -5.113 -1.347 -4.096 249 HB VAL 37 HB VAL 37 -2.704 -0.073 -5.402 250 HG11 VAL 37 1HG1 VAL 37 -2.152 0.857 -3.403 251 HG12 VAL 37 2HG1 VAL 37 -3.907 0.851 -3.212 252 HG13 VAL 37 3HG1 VAL 37 -2.933 -0.417 -2.467 253 HG21 VAL 37 3HG2 VAL 37 -1.652 -2.013 -5.157 254 HG22 VAL 37 1HG2 VAL 37 -2.022 -2.005 -3.433 255 HG23 VAL 37 2HG2 VAL 37 -3.143 -2.751 -4.572 256 H SER 38 H SER 38 -6.834 -0.039 -3.936 257 HA SER 38 HA SER 38 -6.725 2.562 -5.317 258 HB2 SER 38 1HB SER 38 -9.213 2.575 -5.101 259 HB3 SER 38 2HB SER 38 -8.608 1.250 -6.094 260 HG SER 38 HG SER 38 -9.944 0.219 -4.767 261 H TRP 39 H TRP 39 -6.553 4.320 -4.098 262 HA TRP 39 HA TRP 39 -7.260 4.116 -1.244 263 HB2 TRP 39 1HB TRP 39 -5.456 5.789 -0.825 264 HB3 TRP 39 2HB TRP 39 -4.859 4.251 -1.443 265 HD1 TRP 39 HD TRP 39 -5.011 7.935 -2.261 266 HE1 TRP 39 1HE TRP 39 -3.665 8.388 -4.407 267 HE3 TRP 39 3HE TRP 39 -4.196 3.110 -3.740 268 HZ2 TRP 39 2HZ TRP 39 -2.423 6.897 -6.457 269 HZ3 TRP 39 3HZ TRP 39 -2.920 2.710 -5.806 270 HH2 TRP 39 HH TRP 39 -2.054 4.565 -7.135 271 H ALA 40 H ALA 40 -7.188 6.623 -0.399 272 HA ALA 40 HA ALA 40 -9.036 8.083 -2.172 273 HB1 ALA 40 3HB ALA 40 -9.509 8.928 0.459 274 HB2 ALA 40 1HB ALA 40 -10.559 7.947 -0.565 275 HB3 ALA 40 2HB ALA 40 -9.408 7.168 0.521 276 H ASP 41 H ASP 41 -9.151 10.462 -1.625 277 HA ASP 41 HA ASP 41 -6.473 11.466 -0.911 278 HB2 ASP 41 1HB ASP 41 -6.717 13.216 -2.567 279 HB3 ASP 41 2HB ASP 41 -6.968 11.654 -3.342 280 H ASN 42 H ASN 42 -6.422 12.813 0.758 281 HA ASN 42 HA ASN 42 -8.947 14.036 1.642 282 HB2 ASN 42 1HB ASN 42 -6.550 12.998 3.083 283 HB3 ASN 42 2HB ASN 42 -7.420 14.352 3.799 284 HD21 ASN 42 1HD2 ASN 42 -8.435 11.442 2.041 285 HD22 ASN 42 2HD2 ASN 42 -9.531 10.885 3.255 286 H SER 43 H SER 43 -5.510 14.686 1.118 287 HA SER 43 HA SER 43 -5.286 17.283 1.939 288 HB2 SER 43 1HB SER 43 -3.386 16.045 1.056 289 HB3 SER 43 2HB SER 43 -4.101 16.041 -0.556 290 HG SER 43 HG SER 43 -3.947 18.354 -0.497 291 H VAL 44 H VAL 44 -7.188 16.072 -0.652 292 HA VAL 44 HA VAL 44 -7.645 18.795 -1.671 293 HB VAL 44 HB VAL 44 -8.318 16.152 -2.972 294 HG11 VAL 44 1HG1 VAL 44 -9.846 17.486 -3.982 295 HG12 VAL 44 2HG1 VAL 44 -8.953 18.966 -3.625 296 HG13 VAL 44 3HG1 VAL 44 -8.452 17.933 -4.964 297 HG21 VAL 44 3HG2 VAL 44 -6.074 16.195 -3.309 298 HG22 VAL 44 1HG2 VAL 44 -6.543 17.267 -4.629 299 HG23 VAL 44 2HG2 VAL 44 -5.965 17.944 -3.107 300 HA PRO 45 HA PRO 45 -11.501 18.454 0.593 301 HB2 PRO 45 1HB PRO 45 -12.284 21.008 0.114 302 HB3 PRO 45 2HB PRO 45 -11.090 20.585 1.346 303 HG2 PRO 45 1HG PRO 45 -10.662 21.624 -1.428 304 HG3 PRO 45 2HG PRO 45 -9.848 22.087 0.078 305 HD2 PRO 45 1HD PRO 45 -8.732 20.398 -1.721 306 HD3 PRO 45 2HD PRO 45 -8.439 20.264 0.025 307 H LYS 46 H LYS 46 -12.297 20.895 -1.738 308 HA LYS 46 HA LYS 46 -13.481 19.131 -3.660 309 HB2 LYS 46 1HB LYS 46 -15.821 19.872 -3.264 310 HB3 LYS 46 2HB LYS 46 -15.173 18.889 -1.957 311 HG2 LYS 46 1HG LYS 46 -14.780 20.882 -0.624 312 HG3 LYS 46 2HG LYS 46 -15.373 21.894 -1.943 313 HD2 LYS 46 1HD LYS 46 -17.123 19.717 -0.904 314 HD3 LYS 46 2HD LYS 46 -16.947 21.193 0.047 315 HE2 LYS 46 1HE LYS 46 -17.547 22.476 -2.030 316 HE3 LYS 46 2HE LYS 46 -17.942 20.932 -2.784 317 HZ1 LYS 46 3HZ LYS 46 -19.804 22.277 -1.670 318 HZ2 LYS 46 1HZ LYS 46 -19.168 21.695 -0.214 319 HZ3 LYS 46 2HZ LYS 46 -19.734 20.612 -1.383 320 H ASN 47 H ASN 47 -14.444 20.272 -5.448 321 HA ASN 47 HA ASN 47 -14.097 21.865 -7.078 322 HB2 ASN 47 1HB ASN 47 -15.248 23.592 -4.876 323 HB3 ASN 47 2HB ASN 47 -15.323 23.917 -6.606 324 HD21 ASN 47 1HD2 ASN 47 -16.812 22.877 -7.853 325 HD22 ASN 47 2HD2 ASN 47 -18.058 21.870 -7.206 326 H GLN 48 H GLN 48 -11.678 21.441 -5.976 327 HA GLN 48 HA GLN 48 -10.555 24.155 -5.771 328 HB2 GLN 48 1HB GLN 48 -10.045 21.743 -4.099 329 HB3 GLN 48 2HB GLN 48 -8.685 22.801 -4.451 330 HG2 GLN 48 1HG GLN 48 -11.230 23.479 -3.010 331 HG3 GLN 48 2HG GLN 48 -9.583 23.492 -2.380 332 HE21 GLN 48 1HE2 GLN 48 -8.129 24.900 -4.003 333 HE22 GLN 48 2HE2 GLN 48 -8.745 26.496 -4.242 334 H LYS 49 H LYS 49 -10.170 24.134 -8.023 335 HA LYS 49 HA LYS 49 -8.573 22.075 -9.229 336 HB2 LYS 49 1HB LYS 49 -9.797 24.642 -10.118 337 HB3 LYS 49 2HB LYS 49 -8.453 24.008 -11.059 338 HG2 LYS 49 1HG LYS 49 -10.240 23.082 -12.149 339 HG3 LYS 49 2HG LYS 49 -9.834 21.795 -11.011 340 HD2 LYS 49 1HD LYS 49 -11.788 23.881 -10.169 341 HD3 LYS 49 2HD LYS 49 -12.318 22.636 -11.303 342 HE2 LYS 49 1HE LYS 49 -10.848 21.827 -8.838 343 HE3 LYS 49 2HE LYS 49 -12.545 22.287 -8.710 344 HZ1 LYS 49 3HZ LYS 49 -12.848 20.119 -9.169 345 HZ2 LYS 49 1HZ LYS 49 -11.348 19.940 -9.932 346 HZ3 LYS 49 2HZ LYS 49 -12.649 20.620 -10.773 347 H THR 50 H THR 50 -6.753 22.129 -7.772 348 HA THR 50 HA THR 50 -5.115 24.404 -7.428 349 HB THR 50 HB THR 50 -3.339 22.705 -6.791 350 HG1 THR 50 1HG THR 50 -5.433 20.807 -6.894 351 HG21 THR 50 3HG2 THR 50 -4.536 23.595 -4.995 352 HG22 THR 50 1HG2 THR 50 -4.751 21.855 -4.802 353 HG23 THR 50 2HG2 THR 50 -6.044 22.831 -5.498 354 H SER 51 H SER 51 -3.880 25.397 -8.868 355 HA SER 51 HA SER 51 -3.485 24.569 -11.491 356 HB2 SER 51 1HB SER 51 -3.138 26.901 -10.372 357 HB3 SER 51 2HB SER 51 -1.485 26.341 -10.119 358 HG SER 51 HG SER 51 -1.985 27.522 -12.148 359 H GLU 52 H GLU 52 -1.317 24.281 -8.696 360 HA GLU 52 HA GLU 52 0.815 23.071 -10.106 361 HB2 GLU 52 1HB GLU 52 0.068 23.154 -7.190 362 HB3 GLU 52 2HB GLU 52 1.488 22.290 -7.761 363 HG2 GLU 52 1HG GLU 52 2.080 24.498 -6.961 364 HG3 GLU 52 2HG GLU 52 2.384 24.355 -8.691 365 H VAL 53 H VAL 53 1.506 20.889 -10.105 366 HA VAL 53 HA VAL 53 -0.640 18.931 -9.602 367 HB VAL 53 HB VAL 53 -0.077 19.475 -12.067 368 HG11 VAL 53 1HG1 VAL 53 1.858 18.698 -13.010 369 HG12 VAL 53 2HG1 VAL 53 2.456 19.150 -11.413 370 HG13 VAL 53 3HG1 VAL 53 2.095 17.462 -11.776 371 HG21 VAL 53 3HG2 VAL 53 -0.422 17.129 -12.710 372 HG22 VAL 53 1HG2 VAL 53 -0.043 16.631 -11.061 373 HG23 VAL 53 2HG2 VAL 53 -1.476 17.607 -11.379 374 H ARG 54 H ARG 54 0.096 16.739 -9.176 375 HA ARG 54 HA ARG 54 2.869 16.527 -8.249 376 HB2 ARG 54 1HB ARG 54 0.749 15.332 -6.530 377 HB3 ARG 54 2HB ARG 54 2.345 15.929 -6.093 378 HG2 ARG 54 1HG ARG 54 1.081 17.556 -5.151 379 HG3 ARG 54 2HG ARG 54 1.255 18.246 -6.766 380 HD2 ARG 54 1HD ARG 54 -1.003 18.431 -6.528 381 HD3 ARG 54 2HD ARG 54 -0.920 16.810 -7.216 382 HE ARG 54 HE ARG 54 -0.808 16.752 -4.372 383 HH11 ARG 54 1HH1 ARG 54 -2.977 17.097 -7.073 384 HH12 ARG 54 2HH1 ARG 54 -4.355 16.496 -6.211 385 HH21 ARG 54 1HH2 ARG 54 -2.614 15.960 -3.226 386 HH22 ARG 54 2HH2 ARG 54 -4.148 15.851 -4.023 387 H LEU 55 H LEU 55 3.196 14.125 -7.444 388 HA LEU 55 HA LEU 55 1.836 12.316 -9.323 389 HB2 LEU 55 1HB LEU 55 3.923 12.694 -10.336 390 HB3 LEU 55 2HB LEU 55 4.774 12.622 -8.795 391 HG LEU 55 HG LEU 55 3.815 10.115 -8.892 392 HD11 LEU 55 1HD1 LEU 55 2.855 10.767 -11.205 393 HD12 LEU 55 2HD1 LEU 55 3.682 9.221 -11.021 394 HD13 LEU 55 3HD1 LEU 55 4.519 10.586 -11.760 395 HD21 LEU 55 3HD2 LEU 55 6.040 9.485 -9.830 396 HD22 LEU 55 1HD2 LEU 55 6.115 10.635 -8.495 397 HD23 LEU 55 2HD2 LEU 55 6.331 11.195 -10.153 398 H TYR 56 H TYR 56 1.498 10.216 -8.621 399 HA TYR 56 HA TYR 56 1.979 9.778 -5.749 400 HB2 TYR 56 1HB TYR 56 -0.267 8.961 -7.568 401 HB3 TYR 56 2HB TYR 56 0.053 8.063 -6.088 402 HD1 TYR 56 1HD TYR 56 0.343 11.728 -6.640 403 HD2 TYR 56 2HD TYR 56 -1.808 8.574 -4.759 404 HE1 TYR 56 1HE TYR 56 -0.954 13.382 -5.362 405 HE2 TYR 56 2HE TYR 56 -3.111 10.220 -3.477 406 HH TYR 56 HH TYR 56 -2.313 13.140 -2.887 407 H THR 57 H THR 57 3.300 8.187 -5.181 408 HA THR 57 HA THR 57 4.114 6.244 -7.228 409 HB THR 57 HB THR 57 5.527 6.752 -4.613 410 HG1 THR 57 1HG THR 57 5.872 8.041 -7.131 411 HG21 THR 57 3HG2 THR 57 6.546 5.673 -7.241 412 HG22 THR 57 1HG2 THR 57 6.039 4.670 -5.883 413 HG23 THR 57 2HG2 THR 57 7.422 5.751 -5.712 414 H VAL 58 H VAL 58 4.226 4.030 -6.759 415 HA VAL 58 HA VAL 58 2.894 3.154 -4.288 416 HB VAL 58 HB VAL 58 2.337 1.895 -6.971 417 HG11 VAL 58 1HG1 VAL 58 0.779 0.575 -5.892 418 HG12 VAL 58 2HG1 VAL 58 2.063 0.680 -4.687 419 HG13 VAL 58 3HG1 VAL 58 0.623 1.687 -4.533 420 HG21 VAL 58 3HG2 VAL 58 1.488 4.400 -6.253 421 HG22 VAL 58 1HG2 VAL 58 0.680 3.336 -7.404 422 HG23 VAL 58 2HG2 VAL 58 0.152 3.378 -5.722 423 H ARG 59 H ARG 59 4.018 1.657 -3.237 424 HA ARG 59 HA ARG 59 5.885 -0.036 -4.762 425 HB2 ARG 59 1HB ARG 59 7.578 0.218 -3.154 426 HB3 ARG 59 2HB ARG 59 6.951 1.845 -3.388 427 HG2 ARG 59 1HG ARG 59 5.797 1.806 -1.336 428 HG3 ARG 59 2HG ARG 59 6.003 0.062 -1.167 429 HD2 ARG 59 1HD ARG 59 7.505 1.488 0.270 430 HD3 ARG 59 2HD ARG 59 8.318 0.285 -0.729 431 HE ARG 59 HE ARG 59 8.408 3.178 -1.051 432 HH11 ARG 59 1HH1 ARG 59 9.224 0.028 -2.289 433 HH12 ARG 59 2HH1 ARG 59 10.461 0.621 -3.347 434 HH21 ARG 59 1HH2 ARG 59 10.034 3.971 -2.440 435 HH22 ARG 59 2HH2 ARG 59 10.921 2.864 -3.432 436 H TRP 60 H TRP 60 6.142 -2.153 -4.052 437 HA TRP 60 HA TRP 60 4.687 -3.072 -1.718 438 HB2 TRP 60 1HB TRP 60 3.427 -4.783 -3.023 439 HB3 TRP 60 2HB TRP 60 2.922 -3.131 -3.366 440 HD1 TRP 60 HD TRP 60 4.329 -6.211 -5.012 441 HE1 TRP 60 1HE TRP 60 4.592 -5.792 -7.538 442 HE3 TRP 60 3HE TRP 60 3.492 -1.168 -5.089 443 HZ2 TRP 60 2HZ TRP 60 4.463 -3.611 -9.326 444 HZ3 TRP 60 3HZ TRP 60 3.581 0.009 -7.248 445 HH2 TRP 60 HH TRP 60 4.057 -1.189 -9.322 446 H ARG 61 H ARG 61 5.843 -4.594 -0.733 447 HA ARG 61 HA ARG 61 7.630 -6.281 -2.349 448 HB2 ARG 61 1HB ARG 61 8.886 -4.448 -1.201 449 HB3 ARG 61 2HB ARG 61 8.342 -5.101 0.339 450 HG2 ARG 61 1HG ARG 61 9.648 -7.041 -1.432 451 HG3 ARG 61 2HG ARG 61 10.682 -5.731 -0.858 452 HD2 ARG 61 1HD ARG 61 9.604 -6.314 1.458 453 HD3 ARG 61 2HD ARG 61 9.277 -7.864 0.685 454 HE ARG 61 HE ARG 61 11.904 -7.463 0.181 455 HH11 ARG 61 1HH1 ARG 61 9.985 -7.393 3.085 456 HH12 ARG 61 2HH1 ARG 61 11.281 -7.912 4.110 457 HH21 ARG 61 1HH2 ARG 61 13.619 -8.147 1.521 458 HH22 ARG 61 2HH2 ARG 61 13.348 -8.340 3.220 459 H THR 62 H THR 62 7.784 -8.399 -1.744 460 HA THR 62 HA THR 62 5.759 -9.761 -0.623 461 HB THR 62 HB THR 62 7.708 -11.373 0.261 462 HG1 THR 62 1HG THR 62 9.087 -9.350 -0.607 463 HG21 THR 62 3HG2 THR 62 6.056 -11.581 -1.710 464 HG22 THR 62 1HG2 THR 62 7.554 -12.508 -1.775 465 HG23 THR 62 2HG2 THR 62 7.399 -11.016 -2.703 466 H SER 63 H SER 63 4.881 -10.097 1.326 467 HA SER 63 HA SER 63 5.934 -8.644 3.591 468 HB2 SER 63 1HB SER 63 3.530 -8.616 3.194 469 HB3 SER 63 2HB SER 63 3.466 -10.374 3.305 470 HG SER 63 HG SER 63 4.569 -9.735 5.507 471 H PHE 64 H PHE 64 7.190 -9.450 5.131 472 HA PHE 64 HA PHE 64 8.365 -10.906 6.423 473 HB2 PHE 64 1HB PHE 64 6.217 -12.951 5.890 474 HB3 PHE 64 2HB PHE 64 7.233 -12.786 7.317 475 HD1 PHE 64 2HD PHE 64 7.002 -10.305 8.406 476 HD2 PHE 64 1HD PHE 64 4.028 -12.365 6.164 477 HE1 PHE 64 2HE PHE 64 5.254 -8.959 9.496 478 HE2 PHE 64 1HE PHE 64 2.275 -11.021 7.249 479 HZ PHE 64 HZ PHE 64 2.887 -9.317 8.918 480 H SER 65 H SER 65 9.400 -10.734 3.993 481 HA SER 65 HA SER 65 10.148 -13.507 3.354 482 HB2 SER 65 1HB SER 65 9.256 -11.332 1.509 483 HB3 SER 65 2HB SER 65 10.488 -12.460 0.945 484 HG SER 65 HG SER 65 7.803 -12.899 1.542 485 H ALA 66 H ALA 66 12.252 -13.630 2.167 486 HA ALA 66 HA ALA 66 14.072 -11.463 2.987 487 HB1 ALA 66 3HB ALA 66 15.649 -12.947 3.820 488 HB2 ALA 66 1HB ALA 66 14.125 -13.644 4.370 489 HB3 ALA 66 2HB ALA 66 14.952 -14.324 2.968 490 H SER 67 H SER 67 15.878 -11.093 1.656 491 HA SER 67 HA SER 67 16.987 -10.887 -0.319 492 HB2 SER 67 1HB SER 67 17.103 -13.480 0.157 493 HB3 SER 67 2HB SER 67 16.028 -13.569 -1.239 494 HG SER 67 HG SER 67 18.520 -13.540 -1.446 495 H ALA 68 H ALA 68 14.602 -9.643 -0.298 496 HA ALA 68 HA ALA 68 13.520 -10.171 -2.989 497 HB1 ALA 68 3HB ALA 68 11.765 -10.717 -1.535 498 HB2 ALA 68 1HB ALA 68 12.095 -9.343 -0.480 499 HB3 ALA 68 2HB ALA 68 11.400 -9.080 -2.080 500 H LYS 69 H LYS 69 12.487 -8.195 -3.971 501 HA LYS 69 HA LYS 69 14.016 -5.777 -3.264 502 HB2 LYS 69 1HB LYS 69 13.396 -6.956 -5.962 503 HB3 LYS 69 2HB LYS 69 13.790 -5.252 -5.777 504 HG2 LYS 69 1HG LYS 69 15.600 -7.368 -4.684 505 HG3 LYS 69 2HG LYS 69 15.664 -6.903 -6.385 506 HD2 LYS 69 1HD LYS 69 15.729 -4.769 -4.304 507 HD3 LYS 69 2HD LYS 69 17.188 -5.719 -4.596 508 HE2 LYS 69 1HE LYS 69 17.232 -5.068 -6.895 509 HE3 LYS 69 2HE LYS 69 15.644 -4.313 -6.768 510 HZ1 LYS 69 3HZ LYS 69 17.146 -3.081 -4.846 511 HZ2 LYS 69 1HZ LYS 69 16.736 -2.440 -6.357 512 HZ3 LYS 69 2HZ LYS 69 18.213 -3.236 -6.149 513 H TYR 70 H TYR 70 12.951 -3.831 -3.297 514 HA TYR 70 HA TYR 70 10.069 -3.968 -3.155 515 HB2 TYR 70 1HB TYR 70 12.163 -1.997 -2.430 516 HB3 TYR 70 2HB TYR 70 10.583 -1.342 -2.845 517 HD1 TYR 70 2HD TYR 70 12.377 -3.584 -0.522 518 HD2 TYR 70 1HD TYR 70 8.736 -1.548 -1.359 519 HE1 TYR 70 2HE TYR 70 11.577 -4.096 1.747 520 HE2 TYR 70 1HE TYR 70 7.926 -2.053 0.908 521 HH TYR 70 HH TYR 70 8.358 -3.056 2.837 522 H LYS 71 H LYS 71 8.665 -3.389 -4.683 523 HA LYS 71 HA LYS 71 9.707 -2.428 -7.231 524 HB2 LYS 71 1HB LYS 71 7.957 -4.367 -6.786 525 HB3 LYS 71 2HB LYS 71 6.814 -3.030 -6.801 526 HG2 LYS 71 1HG LYS 71 7.156 -2.580 -9.025 527 HG3 LYS 71 2HG LYS 71 8.775 -3.285 -9.030 528 HD2 LYS 71 1HD LYS 71 7.606 -5.522 -8.615 529 HD3 LYS 71 2HD LYS 71 6.117 -4.688 -9.069 530 HE2 LYS 71 1HE LYS 71 7.311 -4.000 -11.192 531 HE3 LYS 71 2HE LYS 71 8.578 -5.141 -10.742 532 HZ1 LYS 71 3HZ LYS 71 6.044 -6.380 -10.563 533 HZ2 LYS 71 1HZ LYS 71 7.368 -6.802 -11.528 534 HZ3 LYS 71 2HZ LYS 71 6.229 -5.688 -12.096 535 H SER 72 H SER 72 8.599 -0.707 -8.396 536 HA SER 72 HA SER 72 6.972 1.133 -6.865 537 HB2 SER 72 1HB SER 72 8.503 3.047 -7.192 538 HB3 SER 72 2HB SER 72 9.222 1.801 -6.172 539 HG SER 72 HG SER 72 10.664 2.583 -7.790 540 H GLU 73 H GLU 73 5.705 2.407 -8.138 541 HA GLU 73 HA GLU 73 6.289 2.601 -10.992 542 HB2 GLU 73 1HB GLU 73 4.015 1.111 -9.788 543 HB3 GLU 73 2HB GLU 73 3.674 2.081 -11.213 544 HG2 GLU 73 1HG GLU 73 5.499 -0.273 -10.940 545 HG3 GLU 73 2HG GLU 73 4.152 -0.035 -12.051 546 H ASP 74 H ASP 74 5.293 4.344 -12.030 547 HA ASP 74 HA ASP 74 4.260 6.384 -10.193 548 HB2 ASP 74 1HB ASP 74 5.169 7.996 -11.559 549 HB3 ASP 74 2HB ASP 74 6.282 6.668 -11.877 550 H THR 75 H THR 75 2.169 6.840 -10.180 551 HA THR 75 HA THR 75 0.606 6.452 -12.638 552 HB THR 75 HB THR 75 0.255 4.515 -11.091 553 HG1 THR 75 1HG THR 75 -2.149 5.985 -11.194 554 HG21 THR 75 3HG2 THR 75 -0.301 4.759 -8.934 555 HG22 THR 75 1HG2 THR 75 -1.493 6.007 -9.294 556 HG23 THR 75 2HG2 THR 75 0.209 6.437 -9.117 557 H THR 76 H THR 76 -0.774 8.065 -13.097 558 HA THR 76 HA THR 76 -0.847 10.341 -11.279 559 HB THR 76 HB THR 76 -1.972 11.508 -13.193 560 HG1 THR 76 1HG THR 76 -2.832 10.047 -14.515 561 HG21 THR 76 3HG2 THR 76 0.651 11.080 -12.770 562 HG22 THR 76 1HG2 THR 76 0.033 12.064 -14.095 563 HG23 THR 76 2HG2 THR 76 0.490 10.385 -14.382 564 H SER 77 H SER 77 -2.391 7.831 -10.802 565 HA SER 77 HA SER 77 -5.021 9.103 -10.493 566 HB2 SER 77 1HB SER 77 -4.510 6.284 -11.470 567 HB3 SER 77 2HB SER 77 -6.091 6.895 -10.984 568 HG SER 77 HG SER 77 -4.488 7.692 -13.170 569 H LEU 78 H LEU 78 -6.414 7.677 -8.959 570 HA LEU 78 HA LEU 78 -4.783 7.208 -6.583 571 HB2 LEU 78 1HB LEU 78 -7.783 7.308 -6.845 572 HB3 LEU 78 2HB LEU 78 -6.857 7.305 -5.346 573 HG LEU 78 HG LEU 78 -6.601 9.521 -7.358 574 HD11 LEU 78 1HD1 LEU 78 -8.666 10.194 -6.910 575 HD12 LEU 78 2HD1 LEU 78 -8.183 10.406 -5.228 576 HD13 LEU 78 3HD1 LEU 78 -8.896 8.882 -5.754 577 HD21 LEU 78 3HD2 LEU 78 -4.876 9.264 -5.601 578 HD22 LEU 78 1HD2 LEU 78 -6.137 9.435 -4.380 579 HD23 LEU 78 2HD2 LEU 78 -5.781 10.773 -5.472 580 H SER 79 H SER 79 -5.017 5.306 -8.883 581 HA SER 79 HA SER 79 -5.457 2.930 -7.281 582 HB2 SER 79 1HB SER 79 -6.977 1.899 -8.952 583 HB3 SER 79 2HB SER 79 -7.694 3.308 -8.169 584 HG SER 79 HG SER 79 -6.278 3.715 -10.539 585 H TYR 80 H TYR 80 -4.260 1.197 -7.956 586 HA TYR 80 HA TYR 80 -2.912 1.328 -10.544 587 HB2 TYR 80 1HB TYR 80 -1.305 2.408 -9.139 588 HB3 TYR 80 2HB TYR 80 -1.498 1.194 -7.879 589 HD1 TYR 80 2HD TYR 80 -0.504 -1.034 -8.137 590 HD2 TYR 80 1HD TYR 80 0.083 1.997 -11.065 591 HE1 TYR 80 2HE TYR 80 1.364 -2.322 -9.087 592 HE2 TYR 80 1HE TYR 80 1.952 0.717 -12.025 593 HH TYR 80 HH TYR 80 2.679 -1.707 -12.092 594 H THR 81 H THR 81 -2.571 -0.629 -11.455 595 HA THR 81 HA THR 81 -3.535 -2.959 -9.961 596 HB THR 81 HB THR 81 -2.954 -2.859 -12.919 597 HG1 THR 81 1HG THR 81 -5.417 -2.618 -12.877 598 HG21 THR 81 3HG2 THR 81 -4.949 -4.589 -12.682 599 HG22 THR 81 1HG2 THR 81 -4.298 -4.744 -11.050 600 HG23 THR 81 2HG2 THR 81 -3.271 -5.076 -12.445 601 H ALA 82 H ALA 82 -1.963 -4.003 -8.915 602 HA ALA 82 HA ALA 82 0.752 -4.042 -9.886 603 HB1 ALA 82 3HB ALA 82 0.216 -3.894 -7.478 604 HB2 ALA 82 1HB ALA 82 -0.443 -5.528 -7.551 605 HB3 ALA 82 2HB ALA 82 1.271 -5.252 -7.866 606 H THR 83 H THR 83 0.948 -5.222 -11.729 607 HA THR 83 HA THR 83 -0.150 -7.941 -11.778 608 HB THR 83 HB THR 83 0.281 -7.937 -14.169 609 HG1 THR 83 1HG THR 83 2.096 -6.712 -14.419 610 HG21 THR 83 3HG2 THR 83 -1.262 -6.191 -14.858 611 HG22 THR 83 1HG2 THR 83 -1.019 -5.342 -13.332 612 HG23 THR 83 2HG2 THR 83 -1.813 -6.917 -13.348 613 H GLY 84 H GLY 84 1.139 -9.744 -12.228 614 HA2 GLY 84 1HA GLY 84 3.126 -10.932 -12.535 615 HA3 GLY 84 2HA GLY 84 4.014 -9.417 -12.474 616 H LEU 85 H LEU 85 1.784 -10.955 -10.167 617 HA LEU 85 HA LEU 85 3.896 -10.712 -8.131 618 HB2 LEU 85 1HB LEU 85 1.016 -11.108 -7.454 619 HB3 LEU 85 2HB LEU 85 2.290 -10.335 -6.513 620 HG LEU 85 HG LEU 85 1.271 -9.072 -9.033 621 HD11 LEU 85 1HD1 LEU 85 -0.138 -7.712 -7.287 622 HD12 LEU 85 2HD1 LEU 85 -0.067 -9.220 -6.377 623 HD13 LEU 85 3HD1 LEU 85 -0.766 -9.200 -7.996 624 HD21 LEU 85 3HD2 LEU 85 1.986 -7.440 -6.722 625 HD22 LEU 85 1HD2 LEU 85 2.503 -7.317 -8.404 626 HD23 LEU 85 2HD2 LEU 85 3.310 -8.445 -7.313 627 H LYS 86 H LYS 86 3.351 -12.352 -6.228 628 HA LYS 86 HA LYS 86 3.380 -14.998 -7.480 629 HB2 LYS 86 1HB LYS 86 5.273 -14.371 -6.023 630 HB3 LYS 86 2HB LYS 86 4.159 -14.168 -4.678 631 HG2 LYS 86 1HG LYS 86 3.523 -16.606 -5.053 632 HG3 LYS 86 2HG LYS 86 4.959 -16.698 -6.074 633 HD2 LYS 86 1HD LYS 86 4.982 -15.756 -3.210 634 HD3 LYS 86 2HD LYS 86 5.321 -17.416 -3.706 635 HE2 LYS 86 1HE LYS 86 7.036 -16.198 -5.311 636 HE3 LYS 86 2HE LYS 86 6.937 -14.945 -4.075 637 HZ1 LYS 86 3HZ LYS 86 8.679 -16.851 -3.887 638 HZ2 LYS 86 1HZ LYS 86 7.380 -17.724 -3.244 639 HZ3 LYS 86 2HZ LYS 86 7.882 -16.289 -2.505 640 HA PRO 87 HA PRO 87 -0.684 -15.902 -6.012 641 HB2 PRO 87 1HB PRO 87 -0.581 -18.604 -6.260 642 HB3 PRO 87 2HB PRO 87 -0.741 -17.517 -7.646 643 HG2 PRO 87 1HG PRO 87 1.703 -18.873 -6.573 644 HG3 PRO 87 2HG PRO 87 1.182 -18.673 -8.256 645 HD2 PRO 87 1HD PRO 87 3.074 -17.104 -7.121 646 HD3 PRO 87 2HD PRO 87 1.966 -16.509 -8.375 647 H ASN 88 H ASN 88 -1.771 -16.946 -4.261 648 HA ASN 88 HA ASN 88 -1.970 -17.341 -2.018 649 HB2 ASN 88 1HB ASN 88 -0.891 -19.389 -1.260 650 HB3 ASN 88 2HB ASN 88 -1.481 -19.599 -2.906 651 HD21 ASN 88 1HD2 ASN 88 -0.099 -20.215 -4.437 652 HD22 ASN 88 2HD2 ASN 88 1.611 -20.355 -4.233 653 H THR 89 H THR 89 -0.225 -15.175 -2.651 654 HA THR 89 HA THR 89 1.372 -15.160 -0.202 655 HB THR 89 HB THR 89 2.601 -14.003 -2.680 656 HG1 THR 89 1HG THR 89 2.668 -16.719 -1.836 657 HG21 THR 89 3HG2 THR 89 3.647 -13.372 -0.629 658 HG22 THR 89 1HG2 THR 89 4.685 -14.574 -1.393 659 HG23 THR 89 2HG2 THR 89 3.645 -15.036 -0.046 660 H MET 90 H MET 90 1.064 -13.343 0.913 661 HA MET 90 HA MET 90 -0.212 -11.079 -0.455 662 HB2 MET 90 1HB MET 90 -1.485 -12.008 1.408 663 HB3 MET 90 2HB MET 90 -0.111 -11.785 2.483 664 HG2 MET 90 1HG MET 90 -1.151 -9.403 1.059 665 HG3 MET 90 2HG MET 90 -2.118 -10.069 2.373 666 HE1 MET 90 3HE MET 90 -0.895 -11.059 4.327 667 HE2 MET 90 1HE MET 90 0.722 -10.612 4.872 668 HE3 MET 90 2HE MET 90 -0.676 -9.677 5.402 669 H TYR 91 H TYR 91 0.474 -8.930 0.006 670 HA TYR 91 HA TYR 91 3.120 -8.664 1.242 671 HB2 TYR 91 1HB TYR 91 2.710 -7.035 -1.185 672 HB3 TYR 91 2HB TYR 91 4.158 -7.849 -0.604 673 HD1 TYR 91 1HD TYR 91 3.922 -10.540 -0.686 674 HD2 TYR 91 2HD TYR 91 1.837 -7.790 -3.175 675 HE1 TYR 91 1HE TYR 91 3.606 -12.309 -2.366 676 HE2 TYR 91 2HE TYR 91 1.514 -9.551 -4.861 677 HH TYR 91 HH TYR 91 2.669 -12.862 -4.304 678 H GLU 92 H GLU 92 3.645 -6.083 0.989 679 HA GLU 92 HA GLU 92 1.299 -4.748 2.169 680 HB2 GLU 92 1HB GLU 92 2.608 -3.821 3.767 681 HB3 GLU 92 2HB GLU 92 3.654 -5.186 3.405 682 HG2 GLU 92 1HG GLU 92 3.912 -2.467 2.146 683 HG3 GLU 92 2HG GLU 92 4.837 -3.018 3.541 684 H PHE 93 H PHE 93 0.484 -3.058 1.127 685 HA PHE 93 HA PHE 93 2.121 -1.795 -0.971 686 HB2 PHE 93 1HB PHE 93 -0.881 -2.115 -0.793 687 HB3 PHE 93 2HB PHE 93 -0.052 -1.187 -2.039 688 HD1 PHE 93 2HD PHE 93 0.118 -4.593 -0.517 689 HD2 PHE 93 1HD PHE 93 0.267 -2.227 -4.051 690 HE1 PHE 93 2HE PHE 93 0.358 -6.634 -1.869 691 HE2 PHE 93 1HE PHE 93 0.506 -4.264 -5.410 692 HZ PHE 93 HZ PHE 93 0.553 -6.472 -4.319 693 H SER 94 H SER 94 2.007 0.463 -1.240 694 HA SER 94 HA SER 94 0.568 2.045 0.721 695 HB2 SER 94 1HB SER 94 2.968 1.292 1.566 696 HB3 SER 94 2HB SER 94 3.493 2.628 0.542 697 HG SER 94 HG SER 94 1.465 2.889 2.502 698 H VAL 95 H VAL 95 1.058 4.449 0.350 699 HA VAL 95 HA VAL 95 1.779 5.035 -2.423 700 HB VAL 95 HB VAL 95 -0.788 6.080 -1.232 701 HG11 VAL 95 1HG1 VAL 95 -1.251 6.897 -3.430 702 HG12 VAL 95 2HG1 VAL 95 0.371 7.434 -2.986 703 HG13 VAL 95 3HG1 VAL 95 0.162 6.076 -4.092 704 HG21 VAL 95 3HG2 VAL 95 -2.019 4.477 -2.416 705 HG22 VAL 95 1HG2 VAL 95 -0.625 3.992 -3.383 706 HG23 VAL 95 2HG2 VAL 95 -0.708 3.559 -1.675 707 H MET 96 H MET 96 2.301 7.241 -2.813 708 HA MET 96 HA MET 96 2.391 9.050 -0.541 709 HB2 MET 96 1HB MET 96 4.863 9.497 -1.041 710 HB3 MET 96 2HB MET 96 4.472 8.033 -0.148 711 HG2 MET 96 1HG MET 96 4.831 6.668 -2.039 712 HG3 MET 96 2HG MET 96 4.873 8.057 -3.122 713 HE1 MET 96 3HE MET 96 6.731 10.107 -1.416 714 HE2 MET 96 1HE MET 96 8.263 9.744 -2.211 715 HE3 MET 96 2HE MET 96 6.778 9.835 -3.158 716 H VAL 97 H VAL 97 3.845 11.079 -1.438 717 HA VAL 97 HA VAL 97 2.997 11.656 -4.185 718 HB VAL 97 HB VAL 97 1.242 12.590 -2.787 719 HG11 VAL 97 1HG1 VAL 97 2.090 14.630 -1.330 720 HG12 VAL 97 2HG1 VAL 97 2.021 12.991 -0.679 721 HG13 VAL 97 3HG1 VAL 97 3.554 13.650 -1.251 722 HG21 VAL 97 3HG2 VAL 97 2.642 15.086 -3.436 723 HG22 VAL 97 1HG2 VAL 97 2.592 13.906 -4.746 724 HG23 VAL 97 2HG2 VAL 97 1.092 14.471 -4.010 725 H THR 98 H THR 98 4.264 13.155 -5.278 726 HA THR 98 HA THR 98 6.652 14.123 -3.852 727 HB THR 98 HB THR 98 6.572 12.875 -6.604 728 HG1 THR 98 1HG THR 98 6.685 11.422 -4.797 729 HG21 THR 98 3HG2 THR 98 8.316 14.882 -5.570 730 HG22 THR 98 1HG2 THR 98 8.380 14.063 -7.130 731 HG23 THR 98 2HG2 THR 98 9.222 13.379 -5.740 732 H LYS 99 H LYS 99 6.197 16.253 -3.722 733 HA LYS 99 HA LYS 99 5.605 17.657 -6.246 734 HB2 LYS 99 1HB LYS 99 3.729 17.658 -4.574 735 HB3 LYS 99 2HB LYS 99 4.778 18.552 -3.481 736 HG2 LYS 99 1HG LYS 99 4.986 20.251 -5.393 737 HG3 LYS 99 2HG LYS 99 3.578 19.437 -6.078 738 HD2 LYS 99 1HD LYS 99 3.513 20.303 -3.223 739 HD3 LYS 99 2HD LYS 99 3.290 21.508 -4.493 740 HE2 LYS 99 1HE LYS 99 1.505 19.989 -5.439 741 HE3 LYS 99 2HE LYS 99 1.630 19.057 -3.948 742 HZ1 LYS 99 3HZ LYS 99 0.385 21.616 -4.420 743 HZ2 LYS 99 1HZ LYS 99 1.348 21.568 -3.029 744 HZ3 LYS 99 2HZ LYS 99 0.078 20.467 -3.216 745 H ASN 100 H ASN 100 6.488 19.801 -6.454 746 HA ASN 100 HA ASN 100 8.203 21.293 -6.409 747 HB2 ASN 100 1HB ASN 100 7.972 20.551 -3.504 748 HB3 ASN 100 2HB ASN 100 9.219 21.668 -4.050 749 HD21 ASN 100 1HD2 ASN 100 8.684 23.725 -4.553 750 HD22 ASN 100 2HD2 ASN 100 7.091 24.375 -4.402 751 H ARG 101 H ARG 101 8.749 18.489 -7.013 752 HA ARG 101 HA ARG 101 10.534 17.175 -7.522 753 HB2 ARG 101 1HB ARG 101 11.786 19.823 -7.009 754 HB3 ARG 101 2HB ARG 101 12.852 18.425 -7.057 755 HG2 ARG 101 1HG ARG 101 10.898 19.046 -9.252 756 HG3 ARG 101 2HG ARG 101 12.544 19.685 -9.222 757 HD2 ARG 101 1HD ARG 101 12.773 17.774 -10.507 758 HD3 ARG 101 2HD ARG 101 13.234 17.210 -8.902 759 HE ARG 101 HE ARG 101 11.492 15.755 -9.011 760 HH11 ARG 101 1HH1 ARG 101 10.793 18.451 -11.100 761 HH12 ARG 101 2HH1 ARG 101 9.300 17.786 -11.675 762 HH21 ARG 101 1HH2 ARG 101 9.527 14.869 -9.760 763 HH22 ARG 101 2HH2 ARG 101 8.580 15.750 -10.911 764 H ARG 102 H ARG 102 9.402 17.348 -4.770 765 HA ARG 102 HA ARG 102 11.585 15.931 -3.423 766 HB2 ARG 102 1HB ARG 102 11.551 17.196 -1.520 767 HB3 ARG 102 2HB ARG 102 11.119 18.442 -2.684 768 HG2 ARG 102 1HG ARG 102 8.808 18.276 -2.114 769 HG3 ARG 102 2HG ARG 102 9.106 16.853 -1.113 770 HD2 ARG 102 1HD ARG 102 8.915 18.628 0.407 771 HD3 ARG 102 2HD ARG 102 10.649 18.345 0.259 772 HE ARG 102 HE ARG 102 9.806 20.318 -1.586 773 HH11 ARG 102 1HH1 ARG 102 10.422 19.818 1.804 774 HH12 ARG 102 2HH1 ARG 102 10.815 21.478 2.110 775 HH21 ARG 102 1HH2 ARG 102 10.321 22.505 -1.195 776 HH22 ARG 102 2HH2 ARG 102 10.756 23.005 0.404 777 H SER 103 H SER 103 10.929 14.321 -1.972 778 HA SER 103 HA SER 103 8.180 13.410 -2.395 779 HB2 SER 103 1HB SER 103 9.141 11.280 -1.283 780 HB3 SER 103 2HB SER 103 9.677 11.677 -2.916 781 HG SER 103 HG SER 103 11.577 12.498 -2.061 782 H SER 104 H SER 104 6.835 12.779 -0.684 783 HA SER 104 HA SER 104 7.397 14.184 1.820 784 HB2 SER 104 1HB SER 104 4.984 13.875 2.280 785 HB3 SER 104 2HB SER 104 5.264 14.694 0.743 786 HG SER 104 HG SER 104 3.891 12.481 1.169 787 H THR 105 H THR 105 5.367 11.332 1.373 788 HA THR 105 HA THR 105 7.100 9.444 2.527 789 HB THR 105 HB THR 105 6.748 10.904 4.539 790 HG1 THR 105 1HG THR 105 6.600 9.136 5.858 791 HG21 THR 105 3HG2 THR 105 4.695 11.211 5.523 792 HG22 THR 105 1HG2 THR 105 4.017 9.742 4.823 793 HG23 THR 105 2HG2 THR 105 4.223 11.181 3.825 794 H TRP 106 H TRP 106 5.830 7.474 3.339 795 HA TRP 106 HA TRP 106 3.652 7.023 1.451 796 HB2 TRP 106 1HB TRP 106 5.133 5.061 3.217 797 HB3 TRP 106 2HB TRP 106 3.964 4.645 1.967 798 HD1 TRP 106 HD TRP 106 7.559 5.878 2.412 799 HE1 TRP 106 1HE TRP 106 8.812 5.578 0.184 800 HE3 TRP 106 3HE TRP 106 3.625 4.519 -0.556 801 HZ2 TRP 106 2HZ TRP 106 8.212 4.862 -2.479 802 HZ3 TRP 106 3HZ TRP 106 4.049 4.044 -2.933 803 HH2 TRP 106 HH TRP 106 6.296 4.213 -3.873 804 H SER 107 H SER 107 1.590 6.471 2.020 805 HA SER 107 HA SER 107 0.744 7.222 4.667 806 HB2 SER 107 1HB SER 107 -1.529 6.841 3.813 807 HB3 SER 107 2HB SER 107 -0.595 7.834 2.694 808 HG SER 107 HG SER 107 -0.772 5.029 2.407 809 H MET 108 H MET 108 -1.206 5.683 5.480 810 HA MET 108 HA MET 108 -0.070 3.536 6.749 811 HB2 MET 108 1HB MET 108 -2.440 2.666 6.985 812 HB3 MET 108 2HB MET 108 -2.167 4.315 7.530 813 HG2 MET 108 1HG MET 108 -3.310 5.236 5.738 814 HG3 MET 108 2HG MET 108 -3.148 3.778 4.761 815 HE1 MET 108 3HE MET 108 -5.333 1.300 6.738 816 HE2 MET 108 1HE MET 108 -5.370 1.658 5.012 817 HE3 MET 108 2HE MET 108 -3.826 1.561 5.859 818 H THR 109 H THR 109 0.699 1.648 6.093 819 HA THR 109 HA THR 109 0.364 0.754 3.396 820 HB THR 109 HB THR 109 1.705 -0.542 5.773 821 HG1 THR 109 1HG THR 109 2.581 0.998 3.562 822 HG21 THR 109 3HG2 THR 109 1.413 -2.430 4.546 823 HG22 THR 109 1HG2 THR 109 2.797 -1.791 3.661 824 HG23 THR 109 2HG2 THR 109 1.165 -1.544 3.041 825 H ALA 110 H ALA 110 -0.782 -0.973 2.612 826 HA ALA 110 HA ALA 110 -2.748 -2.153 4.461 827 HB1 ALA 110 3HB ALA 110 -4.202 -2.463 2.529 828 HB2 ALA 110 1HB ALA 110 -3.741 -0.770 2.707 829 HB3 ALA 110 2HB ALA 110 -2.967 -1.771 1.477 830 H HIS 111 H HIS 111 -3.565 -4.350 3.656 831 HA HIS 111 HA HIS 111 -1.385 -5.945 2.505 832 HB2 HIS 111 1HB HIS 111 -2.835 -6.466 5.097 833 HB3 HIS 111 2HB HIS 111 -1.985 -7.737 4.225 834 HD1 HIS 111 1HD HIS 111 0.623 -6.547 3.498 835 HD2 HIS 111 2HD HIS 111 -1.227 -5.709 7.122 836 HE1 HIS 111 1HE HIS 111 2.464 -5.787 5.032 837 HE2 HIS 111 2HE HIS 111 1.334 -5.366 7.244 838 H ALA 112 H ALA 112 -2.024 -7.484 1.100 839 HA ALA 112 HA ALA 112 -4.758 -8.453 1.097 840 HB1 ALA 112 3HB ALA 112 -4.516 -7.830 -1.560 841 HB2 ALA 112 1HB ALA 112 -5.457 -6.923 -0.375 842 HB3 ALA 112 2HB ALA 112 -3.813 -6.419 -0.769 843 H THR 113 H THR 113 -4.666 -10.564 0.749 844 HA THR 113 HA THR 113 -2.277 -11.745 -0.402 845 HB THR 113 HB THR 113 -4.648 -13.376 0.416 846 HG1 THR 113 1HG THR 113 -3.343 -11.606 2.019 847 HG21 THR 113 3HG2 THR 113 -2.036 -13.928 -0.365 848 HG22 THR 113 1HG2 THR 113 -3.170 -15.052 0.383 849 HG23 THR 113 2HG2 THR 113 -2.030 -14.154 1.384 850 H THR 114 H THR 114 -2.266 -13.158 -2.183 851 HA THR 114 HA THR 114 -4.303 -12.527 -4.174 852 HB THR 114 HB THR 114 -2.738 -13.734 -5.748 853 HG1 THR 114 1HG THR 114 -0.639 -14.147 -4.948 854 HG21 THR 114 3HG2 THR 114 -1.269 -11.539 -4.329 855 HG22 THR 114 1HG2 THR 114 -2.775 -11.204 -5.183 856 HG23 THR 114 2HG2 THR 114 -1.392 -11.860 -6.059 857 H TYR 115 H TYR 115 -5.488 -14.077 -5.294 858 HA TYR 115 HA TYR 115 -6.437 -16.257 -3.841 859 HB2 TYR 115 1HB TYR 115 -6.543 -15.821 -6.833 860 HB3 TYR 115 2HB TYR 115 -7.546 -16.949 -5.929 861 HD1 TYR 115 2HD TYR 115 -9.355 -16.141 -4.504 862 HD2 TYR 115 1HD TYR 115 -6.968 -13.438 -6.763 863 HE1 TYR 115 2HE TYR 115 -11.022 -14.371 -4.137 864 HE2 TYR 115 1HE TYR 115 -8.628 -11.660 -6.401 865 HH TYR 115 HH TYR 115 -11.525 -11.958 -5.730 866 H GLU 116 H GLU 116 -5.979 -18.408 -3.796 867 HA GLU 116 HA GLU 116 -3.370 -19.264 -4.340 868 HB2 GLU 116 1HB GLU 116 -5.276 -20.246 -2.796 869 HB3 GLU 116 2HB GLU 116 -5.597 -21.249 -4.203 870 HG2 GLU 116 1HG GLU 116 -3.228 -21.977 -4.161 871 HG3 GLU 116 2HG GLU 116 -3.017 -21.066 -2.667 872 H ALA 117 H ALA 117 -2.548 -19.305 -6.336 873 HA ALA 117 HA ALA 117 -3.694 -19.401 -8.762 874 HB1 ALA 117 3HB ALA 117 -1.463 -19.257 -9.046 875 HB2 ALA 117 1HB ALA 117 -1.114 -20.368 -7.720 876 HB3 ALA 117 2HB ALA 117 -1.591 -20.998 -9.298 877 H SER 118 H SER 118 -4.129 -21.053 -10.340 878 HA SER 118 HA SER 118 -5.041 -23.575 -9.118 879 HB2 SER 118 1HB SER 118 -6.970 -22.362 -9.828 880 HB3 SER 118 2HB SER 118 -6.224 -21.948 -11.372 881 HG SER 118 HG SER 118 -7.026 -24.528 -10.502 882 H GLY 119 H GLY 119 -3.456 -25.002 -9.563 883 HA2 GLY 119 1HA GLY 119 -3.055 -25.743 -12.330 884 HA3 GLY 119 2HA GLY 119 -1.621 -25.103 -11.543 885 HA PRO 120 HA PRO 120 -0.675 -29.016 -9.824 886 HB2 PRO 120 1HB PRO 120 0.168 -28.409 -7.316 887 HB3 PRO 120 2HB PRO 120 1.111 -28.035 -8.763 888 HG2 PRO 120 1HG PRO 120 -0.663 -26.248 -7.144 889 HG3 PRO 120 2HG PRO 120 0.936 -25.911 -7.833 890 HD2 PRO 120 1HD PRO 120 -1.359 -25.062 -8.992 891 HD3 PRO 120 2HD PRO 120 0.081 -25.497 -9.934 892 H SER 121 H SER 121 -0.962 -30.347 -7.674 893 HA SER 121 HA SER 121 -2.499 -31.584 -6.517 894 HB2 SER 121 1HB SER 121 -2.019 -29.549 -5.049 895 HB3 SER 121 2HB SER 121 -3.567 -28.913 -5.602 896 HG SER 121 HG SER 121 -4.548 -30.242 -4.308 897 H SER 122 H SER 122 -3.282 -30.930 -9.205 898 HA SER 122 HA SER 122 -6.148 -30.416 -9.041 899 HB2 SER 122 1HB SER 122 -4.702 -29.362 -10.820 900 HB3 SER 122 2HB SER 122 -4.502 -30.970 -11.517 901 HG SER 122 HG SER 122 -6.325 -30.625 -12.479 902 H GLY 123 H GLY 123 -3.936 -32.955 -10.182 903 HA2 GLY 123 1HA GLY 123 -5.888 -34.978 -9.480 904 HA3 GLY 123 2HA GLY 123 -5.567 -34.838 -11.202 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -27.078 10.840 -5.859 2 HA2 GLY 1 1HA GLY 1 -27.448 9.336 -4.154 3 HA3 GLY 1 2HA GLY 1 -25.860 8.733 -4.606 4 H SER 2 H SER 2 -24.289 10.912 -3.832 5 HA SER 2 HA SER 2 -24.852 11.599 -1.100 6 HB2 SER 2 1HB SER 2 -22.663 9.601 -1.713 7 HB3 SER 2 2HB SER 2 -22.830 10.451 -0.177 8 HG SER 2 HG SER 2 -25.146 9.488 -0.460 9 H SER 3 H SER 3 -23.507 13.217 -0.311 10 HA SER 3 HA SER 3 -21.498 14.241 -2.208 11 HB2 SER 3 1HB SER 3 -23.441 15.860 -0.542 12 HB3 SER 3 2HB SER 3 -22.162 16.533 -1.552 13 HG SER 3 HG SER 3 -24.608 15.471 -2.263 14 H GLY 4 H GLY 4 -22.605 14.446 1.175 15 HA2 GLY 4 1HA GLY 4 -21.308 14.114 3.091 16 HA3 GLY 4 2HA GLY 4 -19.869 14.076 2.083 17 H SER 5 H SER 5 -20.116 15.479 4.540 18 HA SER 5 HA SER 5 -19.960 18.268 3.600 19 HB2 SER 5 1HB SER 5 -21.787 17.618 5.307 20 HB3 SER 5 2HB SER 5 -20.465 17.498 6.467 21 HG SER 5 HG SER 5 -20.760 19.801 4.876 22 H SER 6 H SER 6 -18.459 19.643 4.900 23 HA SER 6 HA SER 6 -15.877 18.455 4.947 24 HB2 SER 6 1HB SER 6 -16.623 20.947 4.518 25 HB3 SER 6 2HB SER 6 -16.419 21.090 6.263 26 HG SER 6 HG SER 6 -14.465 20.244 4.386 27 H GLY 7 H GLY 7 -14.399 18.473 6.793 28 HA2 GLY 7 1HA GLY 7 -15.826 17.966 9.332 29 HA3 GLY 7 2HA GLY 7 -14.465 16.994 8.792 30 H PHE 8 H PHE 8 -15.430 19.661 10.614 31 HA PHE 8 HA PHE 8 -12.624 20.504 10.916 32 HB2 PHE 8 1HB PHE 8 -13.307 22.776 11.230 33 HB3 PHE 8 2HB PHE 8 -14.086 22.200 9.760 34 HD1 PHE 8 2HD PHE 8 -16.502 21.537 9.846 35 HD2 PHE 8 1HD PHE 8 -14.564 23.568 13.045 36 HE1 PHE 8 2HE PHE 8 -18.693 22.205 10.745 37 HE2 PHE 8 1HE PHE 8 -16.751 24.239 13.949 38 HZ PHE 8 HZ PHE 8 -18.820 23.558 12.798 39 HA PRO 9 HA PRO 9 -13.793 18.954 15.019 40 HB2 PRO 9 1HB PRO 9 -11.232 18.525 15.812 41 HB3 PRO 9 2HB PRO 9 -12.132 17.380 14.811 42 HG2 PRO 9 1HG PRO 9 -10.110 19.430 13.992 43 HG3 PRO 9 2HG PRO 9 -10.290 17.754 13.442 44 HD2 PRO 9 1HD PRO 9 -11.178 19.864 11.996 45 HD3 PRO 9 2HD PRO 9 -11.987 18.284 11.976 46 H THR 10 H THR 10 -14.132 20.197 16.751 47 HA THR 10 HA THR 10 -13.443 22.870 16.920 48 HB THR 10 HB THR 10 -13.984 22.673 19.376 49 HG1 THR 10 1HG THR 10 -13.324 20.229 19.117 50 HG21 THR 10 3HG2 THR 10 -16.368 21.762 18.882 51 HG22 THR 10 1HG2 THR 10 -15.808 21.693 17.212 52 HG23 THR 10 2HG2 THR 10 -15.824 23.232 18.074 53 H SER 11 H SER 11 -11.994 24.018 18.300 54 HA SER 11 HA SER 11 -9.960 24.494 19.202 55 HB2 SER 11 1HB SER 11 -10.831 22.497 20.716 56 HB3 SER 11 2HB SER 11 -9.485 21.644 19.961 57 HG SER 11 HG SER 11 -9.408 23.379 21.966 58 H VAL 12 H VAL 12 -9.858 24.254 16.563 59 HA VAL 12 HA VAL 12 -8.447 22.452 15.180 60 HB VAL 12 HB VAL 12 -9.090 24.437 14.056 61 HG11 VAL 12 1HG1 VAL 12 -7.085 26.235 15.230 62 HG12 VAL 12 2HG1 VAL 12 -8.762 26.544 14.773 63 HG13 VAL 12 3HG1 VAL 12 -8.395 25.767 16.313 64 HG21 VAL 12 3HG2 VAL 12 -6.293 25.109 13.772 65 HG22 VAL 12 1HG2 VAL 12 -6.537 23.362 13.808 66 HG23 VAL 12 2HG2 VAL 12 -7.390 24.348 12.620 67 HA PRO 13 HA PRO 13 -4.685 21.915 17.515 68 HB2 PRO 13 1HB PRO 13 -3.623 20.025 15.881 69 HB3 PRO 13 2HB PRO 13 -4.899 19.675 17.052 70 HG2 PRO 13 1HG PRO 13 -5.114 20.169 14.107 71 HG3 PRO 13 2HG PRO 13 -5.930 18.946 15.099 72 HD2 PRO 13 1HD PRO 13 -7.149 21.233 14.311 73 HD3 PRO 13 2HD PRO 13 -7.519 20.437 15.854 74 H ASP 14 H ASP 14 -2.786 22.954 17.411 75 HA ASP 14 HA ASP 14 -1.983 24.098 14.826 76 HB2 ASP 14 1HB ASP 14 -1.633 24.974 17.669 77 HB3 ASP 14 2HB ASP 14 -0.482 25.517 16.451 78 H LEU 15 H LEU 15 -0.893 22.267 14.042 79 HA LEU 15 HA LEU 15 1.766 21.907 15.209 80 HB2 LEU 15 1HB LEU 15 -0.260 19.764 14.709 81 HB3 LEU 15 2HB LEU 15 1.461 19.403 14.593 82 HG LEU 15 HG LEU 15 1.485 20.491 17.006 83 HD11 LEU 15 1HD1 LEU 15 -1.330 19.455 16.715 84 HD12 LEU 15 2HD1 LEU 15 -0.844 21.114 17.062 85 HD13 LEU 15 3HD1 LEU 15 -0.546 19.842 18.247 86 HD21 LEU 15 3HD2 LEU 15 2.118 18.165 16.289 87 HD22 LEU 15 1HD2 LEU 15 0.449 17.693 16.605 88 HD23 LEU 15 2HD2 LEU 15 1.457 18.298 17.919 89 H SER 16 H SER 16 3.268 22.140 13.698 90 HA SER 16 HA SER 16 2.548 22.314 10.925 91 HB2 SER 16 1HB SER 16 5.299 22.391 12.188 92 HB3 SER 16 2HB SER 16 4.881 22.918 10.558 93 HG SER 16 HG SER 16 3.604 24.032 12.810 94 H THR 17 H THR 17 2.635 20.770 9.433 95 HA THR 17 HA THR 17 4.317 18.409 9.915 96 HB THR 17 HB THR 17 2.548 16.923 9.089 97 HG1 THR 17 1HG THR 17 0.345 18.091 9.197 98 HG21 THR 17 3HG2 THR 17 1.849 18.649 11.458 99 HG22 THR 17 1HG2 THR 17 2.670 17.088 11.457 100 HG23 THR 17 2HG2 THR 17 0.959 17.185 11.039 101 HA PRO 18 HA PRO 18 5.599 19.006 5.748 102 HB2 PRO 18 1HB PRO 18 6.433 16.488 5.170 103 HB3 PRO 18 2HB PRO 18 7.333 17.579 6.231 104 HG2 PRO 18 1HG PRO 18 5.470 15.347 6.948 105 HG3 PRO 18 2HG PRO 18 7.036 15.771 7.664 106 HD2 PRO 18 1HD PRO 18 4.679 16.445 8.813 107 HD3 PRO 18 2HD PRO 18 6.132 17.454 8.954 108 H MET 19 H MET 19 5.513 17.344 3.641 109 HA MET 19 HA MET 19 3.178 17.647 2.394 110 HB2 MET 19 1HB MET 19 4.991 15.240 2.266 111 HB3 MET 19 2HB MET 19 3.647 15.480 1.157 112 HG2 MET 19 1HG MET 19 4.843 17.828 0.834 113 HG3 MET 19 2HG MET 19 6.245 16.883 1.328 114 HE1 MET 19 3HE MET 19 3.382 15.265 -1.651 115 HE2 MET 19 1HE MET 19 3.072 16.565 -0.500 116 HE3 MET 19 2HE MET 19 3.604 16.946 -2.137 117 H LEU 20 H LEU 20 1.231 16.521 2.084 118 HA LEU 20 HA LEU 20 0.440 14.888 4.389 119 HB2 LEU 20 1HB LEU 20 -0.750 17.078 3.478 120 HB3 LEU 20 2HB LEU 20 -1.546 15.906 2.430 121 HG LEU 20 HG LEU 20 -2.864 16.470 4.439 122 HD11 LEU 20 1HD1 LEU 20 -1.973 13.739 3.755 123 HD12 LEU 20 2HD1 LEU 20 -3.587 14.447 3.738 124 HD13 LEU 20 3HD1 LEU 20 -2.871 13.924 5.261 125 HD21 LEU 20 3HD2 LEU 20 -0.825 14.969 6.050 126 HD22 LEU 20 1HD2 LEU 20 -2.167 15.964 6.612 127 HD23 LEU 20 2HD2 LEU 20 -0.757 16.723 5.873 128 HA PRO 21 HA PRO 21 0.660 11.484 1.454 129 HB2 PRO 21 1HB PRO 21 0.360 9.549 3.335 130 HB3 PRO 21 2HB PRO 21 1.899 10.363 3.032 131 HG2 PRO 21 1HG PRO 21 -0.125 10.877 5.177 132 HG3 PRO 21 2HG PRO 21 1.642 10.812 5.299 133 HD2 PRO 21 1HD PRO 21 0.275 13.146 5.181 134 HD3 PRO 21 2HD PRO 21 1.902 12.957 4.497 135 HA PRO 22 HA PRO 22 -3.551 10.395 0.812 136 HB2 PRO 22 1HB PRO 22 -3.380 7.797 0.044 137 HB3 PRO 22 2HB PRO 22 -2.859 9.139 -0.982 138 HG2 PRO 22 1HG PRO 22 -1.218 7.331 0.750 139 HG3 PRO 22 2HG PRO 22 -0.889 7.907 -0.895 140 HD2 PRO 22 1HD PRO 22 0.273 9.002 1.292 141 HD3 PRO 22 2HD PRO 22 -0.112 9.949 -0.160 142 H VAL 23 H VAL 23 -5.283 8.805 1.409 143 HA VAL 23 HA VAL 23 -4.750 7.415 3.939 144 HB VAL 23 HB VAL 23 -6.820 8.278 4.922 145 HG11 VAL 23 1HG1 VAL 23 -5.560 10.829 4.253 146 HG12 VAL 23 2HG1 VAL 23 -5.741 10.026 5.814 147 HG13 VAL 23 3HG1 VAL 23 -4.419 9.575 4.737 148 HG21 VAL 23 3HG2 VAL 23 -8.022 8.721 2.826 149 HG22 VAL 23 1HG2 VAL 23 -8.031 10.121 3.898 150 HG23 VAL 23 2HG2 VAL 23 -6.948 10.083 2.506 151 H GLY 24 H GLY 24 -6.870 6.181 4.595 152 HA2 GLY 24 1HA GLY 24 -8.193 4.371 4.093 153 HA3 GLY 24 2HA GLY 24 -8.786 5.374 2.778 154 H VAL 25 H VAL 25 -5.451 4.350 3.014 155 HA VAL 25 HA VAL 25 -5.316 3.381 0.405 156 HB VAL 25 HB VAL 25 -3.565 2.534 2.716 157 HG11 VAL 25 1HG1 VAL 25 -2.419 2.808 0.033 158 HG12 VAL 25 2HG1 VAL 25 -2.197 1.540 1.240 159 HG13 VAL 25 3HG1 VAL 25 -3.613 1.520 0.187 160 HG21 VAL 25 3HG2 VAL 25 -3.925 5.074 2.141 161 HG22 VAL 25 1HG2 VAL 25 -2.314 4.443 2.484 162 HG23 VAL 25 2HG2 VAL 25 -2.821 4.706 0.816 163 H GLN 26 H GLN 26 -6.594 1.798 -0.331 164 HA GLN 26 HA GLN 26 -6.865 -0.644 1.291 165 HB2 GLN 26 1HB GLN 26 -9.007 0.367 0.862 166 HB3 GLN 26 2HB GLN 26 -8.653 0.505 -0.855 167 HG2 GLN 26 1HG GLN 26 -10.089 -1.315 -0.710 168 HG3 GLN 26 2HG GLN 26 -8.487 -2.040 -0.847 169 HE21 GLN 26 1HE2 GLN 26 -9.327 -3.949 0.080 170 HE22 GLN 26 2HE2 GLN 26 -9.593 -4.071 1.783 171 H ALA 27 H ALA 27 -6.387 -2.624 0.425 172 HA ALA 27 HA ALA 27 -5.124 -2.600 -2.239 173 HB1 ALA 27 3HB ALA 27 -3.425 -2.984 -0.632 174 HB2 ALA 27 1HB ALA 27 -4.411 -4.167 0.229 175 HB3 ALA 27 2HB ALA 27 -3.777 -4.545 -1.374 176 H VAL 28 H VAL 28 -6.757 -3.315 -3.523 177 HA VAL 28 HA VAL 28 -8.318 -5.643 -2.721 178 HB VAL 28 HB VAL 28 -8.540 -4.019 -5.258 179 HG11 VAL 28 1HG1 VAL 28 -10.073 -5.490 -5.898 180 HG12 VAL 28 2HG1 VAL 28 -9.695 -6.471 -4.480 181 HG13 VAL 28 3HG1 VAL 28 -10.968 -5.253 -4.397 182 HG21 VAL 28 3HG2 VAL 28 -9.980 -2.569 -4.246 183 HG22 VAL 28 1HG2 VAL 28 -10.499 -3.751 -3.043 184 HG23 VAL 28 2HG2 VAL 28 -8.943 -2.939 -2.868 185 H ALA 29 H ALA 29 -8.166 -7.632 -3.622 186 HA ALA 29 HA ALA 29 -5.918 -8.077 -5.453 187 HB1 ALA 29 3HB ALA 29 -5.850 -10.316 -4.682 188 HB2 ALA 29 1HB ALA 29 -6.052 -9.300 -3.254 189 HB3 ALA 29 2HB ALA 29 -7.433 -10.175 -3.918 190 H LEU 30 H LEU 30 -6.426 -8.175 -7.535 191 HA LEU 30 HA LEU 30 -9.091 -8.772 -8.430 192 HB2 LEU 30 1HB LEU 30 -6.643 -8.559 -10.158 193 HB3 LEU 30 2HB LEU 30 -8.322 -8.262 -10.603 194 HG LEU 30 HG LEU 30 -6.921 -6.526 -8.596 195 HD11 LEU 30 1HD1 LEU 30 -6.812 -6.335 -11.597 196 HD12 LEU 30 2HD1 LEU 30 -5.462 -6.422 -10.466 197 HD13 LEU 30 3HD1 LEU 30 -6.474 -4.979 -10.520 198 HD21 LEU 30 3HD2 LEU 30 -9.487 -6.584 -9.962 199 HD22 LEU 30 1HD2 LEU 30 -8.657 -5.037 -10.136 200 HD23 LEU 30 2HD2 LEU 30 -8.986 -5.685 -8.529 201 H THR 31 H THR 31 -5.911 -10.317 -8.876 202 HA THR 31 HA THR 31 -7.221 -12.920 -8.957 203 HB THR 31 HB THR 31 -6.951 -11.976 -11.342 204 HG1 THR 31 1HG THR 31 -6.063 -14.160 -11.980 205 HG21 THR 31 3HG2 THR 31 -4.295 -13.036 -11.627 206 HG22 THR 31 1HG2 THR 31 -4.294 -11.712 -10.464 207 HG23 THR 31 2HG2 THR 31 -4.919 -11.454 -12.093 208 H HIS 32 H HIS 32 -5.393 -14.667 -9.266 209 HA HIS 32 HA HIS 32 -3.801 -14.685 -7.028 210 HB2 HIS 32 1HB HIS 32 -2.405 -16.406 -8.327 211 HB3 HIS 32 2HB HIS 32 -4.118 -16.752 -8.104 212 HD1 HIS 32 1HD HIS 32 -5.663 -16.147 -10.255 213 HD2 HIS 32 2HD HIS 32 -1.573 -16.463 -10.915 214 HE1 HIS 32 1HE HIS 32 -5.403 -16.438 -12.739 215 HE2 HIS 32 2HE HIS 32 -2.927 -16.712 -13.105 216 H ASP 33 H ASP 33 -3.036 -13.454 -10.236 217 HA ASP 33 HA ASP 33 -0.506 -12.396 -9.155 218 HB2 ASP 33 1HB ASP 33 0.468 -12.552 -11.348 219 HB3 ASP 33 2HB ASP 33 -0.246 -14.115 -10.961 220 H ALA 34 H ALA 34 -2.883 -11.020 -8.773 221 HA ALA 34 HA ALA 34 -2.271 -8.547 -10.135 222 HB1 ALA 34 3HB ALA 34 -5.010 -9.764 -10.464 223 HB2 ALA 34 1HB ALA 34 -4.487 -8.184 -11.047 224 HB3 ALA 34 2HB ALA 34 -3.784 -9.652 -11.726 225 H VAL 35 H VAL 35 -3.020 -6.734 -9.048 226 HA VAL 35 HA VAL 35 -4.838 -7.014 -6.814 227 HB VAL 35 HB VAL 35 -1.909 -6.503 -6.428 228 HG11 VAL 35 1HG1 VAL 35 -2.937 -4.546 -5.482 229 HG12 VAL 35 2HG1 VAL 35 -4.137 -5.532 -4.643 230 HG13 VAL 35 3HG1 VAL 35 -2.439 -5.616 -4.172 231 HG21 VAL 35 3HG2 VAL 35 -2.776 -7.858 -4.264 232 HG22 VAL 35 1HG2 VAL 35 -3.944 -8.404 -5.467 233 HG23 VAL 35 2HG2 VAL 35 -2.218 -8.633 -5.746 234 H ARG 36 H ARG 36 -6.161 -5.350 -7.081 235 HA ARG 36 HA ARG 36 -5.194 -2.894 -8.313 236 HB2 ARG 36 1HB ARG 36 -7.235 -3.646 -9.243 237 HB3 ARG 36 2HB ARG 36 -7.936 -3.950 -7.659 238 HG2 ARG 36 1HG ARG 36 -8.983 -2.008 -8.438 239 HG3 ARG 36 2HG ARG 36 -7.782 -1.447 -7.274 240 HD2 ARG 36 1HD ARG 36 -7.561 0.004 -9.100 241 HD3 ARG 36 2HD ARG 36 -6.234 -1.143 -9.278 242 HE ARG 36 HE ARG 36 -8.176 -2.255 -10.775 243 HH11 ARG 36 1HH1 ARG 36 -6.839 0.957 -10.652 244 HH12 ARG 36 2HH1 ARG 36 -7.129 1.283 -12.328 245 HH21 ARG 36 1HH2 ARG 36 -8.563 -1.838 -12.984 246 HH22 ARG 36 2HH2 ARG 36 -8.111 -0.308 -13.654 247 H VAL 37 H VAL 37 -4.114 -1.686 -6.846 248 HA VAL 37 HA VAL 37 -5.144 -1.359 -4.150 249 HB VAL 37 HB VAL 37 -2.714 -0.141 -5.471 250 HG11 VAL 37 1HG1 VAL 37 -2.838 -0.302 -2.546 251 HG12 VAL 37 2HG1 VAL 37 -2.270 1.002 -3.590 252 HG13 VAL 37 3HG1 VAL 37 -3.995 0.815 -3.268 253 HG21 VAL 37 3HG2 VAL 37 -2.095 -1.968 -3.378 254 HG22 VAL 37 1HG2 VAL 37 -3.197 -2.759 -4.505 255 HG23 VAL 37 2HG2 VAL 37 -1.682 -2.071 -5.089 256 H SER 38 H SER 38 -6.729 0.047 -3.811 257 HA SER 38 HA SER 38 -6.677 2.599 -5.287 258 HB2 SER 38 1HB SER 38 -9.051 2.635 -5.338 259 HB3 SER 38 2HB SER 38 -8.597 0.996 -5.805 260 HG SER 38 HG SER 38 -9.597 0.276 -4.110 261 H TRP 39 H TRP 39 -6.676 4.432 -4.130 262 HA TRP 39 HA TRP 39 -7.282 4.269 -1.256 263 HB2 TRP 39 1HB TRP 39 -5.404 5.858 -0.844 264 HB3 TRP 39 2HB TRP 39 -4.874 4.286 -1.436 265 HD1 TRP 39 HD TRP 39 -4.812 7.959 -2.283 266 HE1 TRP 39 1HE TRP 39 -3.442 8.320 -4.432 267 HE3 TRP 39 3HE TRP 39 -4.294 3.087 -3.742 268 HZ2 TRP 39 2HZ TRP 39 -2.294 6.747 -6.475 269 HZ3 TRP 39 3HZ TRP 39 -3.046 2.600 -5.806 270 HH2 TRP 39 HH TRP 39 -2.068 4.394 -7.143 271 H ALA 40 H ALA 40 -7.152 6.753 -0.425 272 HA ALA 40 HA ALA 40 -8.725 8.377 -2.311 273 HB1 ALA 40 3HB ALA 40 -9.991 9.161 -0.214 274 HB2 ALA 40 1HB ALA 40 -10.396 7.586 -0.897 275 HB3 ALA 40 2HB ALA 40 -9.369 7.690 0.534 276 H ASP 41 H ASP 41 -8.353 10.561 -2.280 277 HA ASP 41 HA ASP 41 -6.067 11.434 -0.653 278 HB2 ASP 41 1HB ASP 41 -6.011 13.340 -2.367 279 HB3 ASP 41 2HB ASP 41 -5.541 11.738 -2.930 280 H ASN 42 H ASN 42 -6.696 12.419 1.154 281 HA ASN 42 HA ASN 42 -9.099 14.097 1.113 282 HB2 ASN 42 1HB ASN 42 -7.516 12.820 3.336 283 HB3 ASN 42 2HB ASN 42 -8.703 14.082 3.655 284 HD21 ASN 42 1HD2 ASN 42 -9.429 12.077 4.934 285 HD22 ASN 42 2HD2 ASN 42 -10.601 11.081 4.146 286 H SER 43 H SER 43 -6.539 14.920 -0.064 287 HA SER 43 HA SER 43 -5.853 17.169 1.707 288 HB2 SER 43 1HB SER 43 -4.018 15.556 0.993 289 HB3 SER 43 2HB SER 43 -4.218 16.193 -0.638 290 HG SER 43 HG SER 43 -2.750 17.543 0.117 291 H VAL 44 H VAL 44 -8.103 16.838 -0.298 292 HA VAL 44 HA VAL 44 -7.695 19.419 -1.606 293 HB VAL 44 HB VAL 44 -7.071 17.869 -3.346 294 HG11 VAL 44 1HG1 VAL 44 -9.405 16.372 -2.342 295 HG12 VAL 44 2HG1 VAL 44 -9.169 16.357 -4.091 296 HG13 VAL 44 3HG1 VAL 44 -7.887 15.788 -3.021 297 HG21 VAL 44 3HG2 VAL 44 -8.897 18.350 -5.014 298 HG22 VAL 44 1HG2 VAL 44 -9.820 19.050 -3.684 299 HG23 VAL 44 2HG2 VAL 44 -8.273 19.755 -4.150 300 HA PRO 45 HA PRO 45 -11.806 19.985 -0.083 301 HB2 PRO 45 1HB PRO 45 -12.365 22.286 -1.412 302 HB3 PRO 45 2HB PRO 45 -11.294 22.224 -0.006 303 HG2 PRO 45 1HG PRO 45 -10.597 22.298 -2.917 304 HG3 PRO 45 2HG PRO 45 -9.860 23.180 -1.567 305 HD2 PRO 45 1HD PRO 45 -8.747 20.954 -2.633 306 HD3 PRO 45 2HD PRO 45 -8.588 21.372 -0.915 307 H LYS 46 H LYS 46 -13.979 19.937 -0.802 308 HA LYS 46 HA LYS 46 -14.599 18.239 -2.863 309 HB2 LYS 46 1HB LYS 46 -16.215 18.799 -1.151 310 HB3 LYS 46 2HB LYS 46 -16.277 20.468 -1.702 311 HG2 LYS 46 1HG LYS 46 -17.057 19.436 -3.947 312 HG3 LYS 46 2HG LYS 46 -17.426 18.017 -2.964 313 HD2 LYS 46 1HD LYS 46 -18.862 19.366 -1.530 314 HD3 LYS 46 2HD LYS 46 -18.462 20.809 -2.466 315 HE2 LYS 46 1HE LYS 46 -19.768 18.357 -3.635 316 HE3 LYS 46 2HE LYS 46 -20.665 19.750 -3.031 317 HZ1 LYS 46 3HZ LYS 46 -18.604 19.915 -5.160 318 HZ2 LYS 46 1HZ LYS 46 -19.669 21.135 -4.669 319 HZ3 LYS 46 2HZ LYS 46 -20.261 19.765 -5.465 320 H ASN 47 H ASN 47 -15.529 21.663 -3.083 321 HA ASN 47 HA ASN 47 -15.101 21.523 -5.977 322 HB2 ASN 47 1HB ASN 47 -16.568 23.385 -6.179 323 HB3 ASN 47 2HB ASN 47 -17.307 22.308 -4.997 324 HD21 ASN 47 1HD2 ASN 47 -17.527 25.232 -5.463 325 HD22 ASN 47 2HD2 ASN 47 -17.176 25.956 -3.934 326 H GLN 48 H GLN 48 -13.287 22.312 -6.794 327 HA GLN 48 HA GLN 48 -12.255 24.859 -6.132 328 HB2 GLN 48 1HB GLN 48 -11.492 23.627 -4.125 329 HB3 GLN 48 2HB GLN 48 -10.615 22.512 -5.163 330 HG2 GLN 48 1HG GLN 48 -10.083 25.458 -5.233 331 HG3 GLN 48 2HG GLN 48 -9.314 24.406 -4.046 332 HE21 GLN 48 1HE2 GLN 48 -8.439 22.310 -5.157 333 HE22 GLN 48 2HE2 GLN 48 -7.462 22.597 -6.552 334 H LYS 49 H LYS 49 -10.808 25.579 -7.650 335 HA LYS 49 HA LYS 49 -10.759 24.455 -10.156 336 HB2 LYS 49 1HB LYS 49 -9.923 26.789 -9.214 337 HB3 LYS 49 2HB LYS 49 -8.357 25.992 -9.278 338 HG2 LYS 49 1HG LYS 49 -8.395 25.808 -11.582 339 HG3 LYS 49 2HG LYS 49 -10.152 25.964 -11.666 340 HD2 LYS 49 1HD LYS 49 -9.225 28.003 -12.475 341 HD3 LYS 49 2HD LYS 49 -9.880 28.332 -10.869 342 HE2 LYS 49 1HE LYS 49 -7.545 27.936 -9.982 343 HE3 LYS 49 2HE LYS 49 -6.999 27.952 -11.658 344 HZ1 LYS 49 3HZ LYS 49 -8.067 30.156 -10.035 345 HZ2 LYS 49 1HZ LYS 49 -8.266 30.198 -11.715 346 HZ3 LYS 49 2HZ LYS 49 -6.713 30.129 -11.049 347 H THR 50 H THR 50 -8.552 23.919 -11.311 348 HA THR 50 HA THR 50 -7.778 21.367 -10.474 349 HB THR 50 HB THR 50 -5.876 22.934 -12.145 350 HG1 THR 50 1HG THR 50 -7.291 23.301 -13.704 351 HG21 THR 50 3HG2 THR 50 -5.245 20.861 -12.657 352 HG22 THR 50 1HG2 THR 50 -6.828 20.568 -13.376 353 HG23 THR 50 2HG2 THR 50 -6.551 20.200 -11.674 354 H SER 51 H SER 51 -6.280 20.632 -9.101 355 HA SER 51 HA SER 51 -4.873 22.471 -7.419 356 HB2 SER 51 1HB SER 51 -5.836 20.093 -6.872 357 HB3 SER 51 2HB SER 51 -4.273 19.533 -7.467 358 HG SER 51 HG SER 51 -4.898 20.977 -5.172 359 H GLU 52 H GLU 52 -2.469 21.891 -6.912 360 HA GLU 52 HA GLU 52 -0.970 22.544 -9.238 361 HB2 GLU 52 1HB GLU 52 -0.467 23.190 -6.815 362 HB3 GLU 52 2HB GLU 52 0.190 21.569 -6.634 363 HG2 GLU 52 1HG GLU 52 2.031 22.937 -7.083 364 HG3 GLU 52 2HG GLU 52 1.690 22.108 -8.600 365 H VAL 53 H VAL 53 0.746 21.340 -10.197 366 HA VAL 53 HA VAL 53 0.093 18.694 -10.843 367 HB VAL 53 HB VAL 53 1.449 20.100 -12.315 368 HG11 VAL 53 1HG1 VAL 53 3.512 20.943 -11.811 369 HG12 VAL 53 2HG1 VAL 53 2.789 20.946 -10.202 370 HG13 VAL 53 3HG1 VAL 53 3.887 19.648 -10.674 371 HG21 VAL 53 3HG2 VAL 53 3.396 17.970 -11.798 372 HG22 VAL 53 1HG2 VAL 53 1.724 17.421 -11.909 373 HG23 VAL 53 2HG2 VAL 53 2.448 18.316 -13.245 374 H ARG 54 H ARG 54 0.856 16.724 -10.178 375 HA ARG 54 HA ARG 54 2.959 16.522 -8.211 376 HB2 ARG 54 1HB ARG 54 1.351 15.171 -6.687 377 HB3 ARG 54 2HB ARG 54 1.340 16.927 -6.594 378 HG2 ARG 54 1HG ARG 54 -0.910 16.346 -6.608 379 HG3 ARG 54 2HG ARG 54 -0.584 16.816 -8.278 380 HD2 ARG 54 1HD ARG 54 -0.432 14.523 -8.958 381 HD3 ARG 54 2HD ARG 54 -0.523 13.972 -7.285 382 HE ARG 54 HE ARG 54 -2.806 14.285 -7.327 383 HH11 ARG 54 1HH1 ARG 54 -1.362 15.662 -10.179 384 HH12 ARG 54 2HH1 ARG 54 -2.875 15.910 -10.985 385 HH21 ARG 54 1HH2 ARG 54 -4.806 14.606 -8.377 386 HH22 ARG 54 2HH2 ARG 54 -4.834 15.310 -9.958 387 H LEU 55 H LEU 55 2.899 14.063 -7.376 388 HA LEU 55 HA LEU 55 2.101 12.248 -9.505 389 HB2 LEU 55 1HB LEU 55 4.246 12.837 -10.303 390 HB3 LEU 55 2HB LEU 55 4.950 12.747 -8.690 391 HG LEU 55 HG LEU 55 4.179 10.195 -8.970 392 HD11 LEU 55 1HD1 LEU 55 4.298 9.384 -11.137 393 HD12 LEU 55 2HD1 LEU 55 5.080 10.841 -11.749 394 HD13 LEU 55 3HD1 LEU 55 3.368 10.870 -11.327 395 HD21 LEU 55 3HD2 LEU 55 6.718 11.428 -10.033 396 HD22 LEU 55 1HD2 LEU 55 6.496 9.719 -9.656 397 HD23 LEU 55 2HD2 LEU 55 6.407 10.924 -8.371 398 H TYR 56 H TYR 56 1.535 10.289 -8.750 399 HA TYR 56 HA TYR 56 1.975 9.781 -5.890 400 HB2 TYR 56 1HB TYR 56 -0.195 9.022 -7.809 401 HB3 TYR 56 2HB TYR 56 0.089 8.023 -6.388 402 HD1 TYR 56 1HD TYR 56 0.145 11.726 -6.894 403 HD2 TYR 56 2HD TYR 56 -1.596 8.421 -4.858 404 HE1 TYR 56 1HE TYR 56 -1.203 13.277 -5.542 405 HE2 TYR 56 2HE TYR 56 -2.950 9.962 -3.501 406 HH TYR 56 HH TYR 56 -2.375 12.932 -2.970 407 H THR 57 H THR 57 3.279 8.193 -5.277 408 HA THR 57 HA THR 57 4.200 6.277 -7.306 409 HB THR 57 HB THR 57 5.479 6.971 -4.655 410 HG1 THR 57 1HG THR 57 6.382 7.675 -7.257 411 HG21 THR 57 3HG2 THR 57 6.056 4.731 -5.357 412 HG22 THR 57 1HG2 THR 57 7.440 5.792 -5.612 413 HG23 THR 57 2HG2 THR 57 6.440 5.302 -6.980 414 H VAL 58 H VAL 58 4.259 4.067 -6.886 415 HA VAL 58 HA VAL 58 2.872 3.156 -4.457 416 HB VAL 58 HB VAL 58 2.394 1.984 -7.197 417 HG11 VAL 58 1HG1 VAL 58 0.717 1.574 -4.747 418 HG12 VAL 58 2HG1 VAL 58 0.823 0.582 -6.203 419 HG13 VAL 58 3HG1 VAL 58 2.151 0.591 -5.042 420 HG21 VAL 58 3HG2 VAL 58 0.199 3.377 -5.816 421 HG22 VAL 58 1HG2 VAL 58 1.484 4.412 -6.439 422 HG23 VAL 58 2HG2 VAL 58 0.615 3.330 -7.529 423 H ARG 59 H ARG 59 4.059 1.741 -3.370 424 HA ARG 59 HA ARG 59 5.965 0.060 -4.862 425 HB2 ARG 59 1HB ARG 59 7.580 0.295 -3.176 426 HB3 ARG 59 2HB ARG 59 6.939 1.918 -3.389 427 HG2 ARG 59 1HG ARG 59 5.497 1.588 -1.427 428 HG3 ARG 59 2HG ARG 59 6.199 -0.016 -1.203 429 HD2 ARG 59 1HD ARG 59 8.301 0.858 -0.652 430 HD3 ARG 59 2HD ARG 59 7.913 2.444 -1.319 431 HE ARG 59 HE ARG 59 7.061 3.013 0.714 432 HH11 ARG 59 1HH1 ARG 59 7.062 -0.459 0.453 433 HH12 ARG 59 2HH1 ARG 59 6.510 -0.711 2.076 434 HH21 ARG 59 1HH2 ARG 59 6.335 2.693 2.853 435 HH22 ARG 59 2HH2 ARG 59 6.096 1.083 3.440 436 H TRP 60 H TRP 60 6.331 -2.052 -4.060 437 HA TRP 60 HA TRP 60 4.809 -3.067 -1.846 438 HB2 TRP 60 1HB TRP 60 3.416 -4.615 -3.099 439 HB3 TRP 60 2HB TRP 60 3.082 -2.966 -3.620 440 HD1 TRP 60 HD TRP 60 4.540 -6.262 -4.859 441 HE1 TRP 60 1HE TRP 60 4.832 -6.134 -7.413 442 HE3 TRP 60 3HE TRP 60 3.509 -1.302 -5.546 443 HZ2 TRP 60 2HZ TRP 60 4.649 -4.189 -9.449 444 HZ3 TRP 60 3HZ TRP 60 3.589 -0.387 -7.829 445 HH2 TRP 60 HH TRP 60 4.148 -1.801 -9.738 446 H ARG 61 H ARG 61 5.498 -5.096 -1.174 447 HA ARG 61 HA ARG 61 7.217 -6.730 -2.776 448 HB2 ARG 61 1HB ARG 61 9.268 -6.451 -1.623 449 HB3 ARG 61 2HB ARG 61 8.711 -4.829 -2.012 450 HG2 ARG 61 1HG ARG 61 9.301 -4.486 0.145 451 HG3 ARG 61 2HG ARG 61 7.643 -5.030 0.409 452 HD2 ARG 61 1HD ARG 61 8.826 -7.402 0.441 453 HD3 ARG 61 2HD ARG 61 10.214 -6.427 0.923 454 HE ARG 61 HE ARG 61 7.782 -5.944 2.415 455 HH11 ARG 61 1HH1 ARG 61 10.779 -7.705 2.211 456 HH12 ARG 61 2HH1 ARG 61 10.838 -8.058 3.906 457 HH21 ARG 61 1HH2 ARG 61 7.849 -6.403 4.649 458 HH22 ARG 61 2HH2 ARG 61 9.171 -7.317 5.291 459 H THR 62 H THR 62 7.789 -8.716 -1.732 460 HA THR 62 HA THR 62 5.868 -10.003 -0.345 461 HB THR 62 HB THR 62 7.716 -11.482 0.620 462 HG1 THR 62 1HG THR 62 9.764 -10.954 -0.656 463 HG21 THR 62 3HG2 THR 62 8.014 -12.580 -1.417 464 HG22 THR 62 1HG2 THR 62 8.038 -11.075 -2.335 465 HG23 THR 62 2HG2 THR 62 6.521 -11.674 -1.664 466 H SER 63 H SER 63 4.914 -9.715 1.551 467 HA SER 63 HA SER 63 6.088 -8.008 3.556 468 HB2 SER 63 1HB SER 63 3.685 -7.880 3.100 469 HB3 SER 63 2HB SER 63 3.493 -9.570 3.565 470 HG SER 63 HG SER 63 4.556 -7.619 5.317 471 H PHE 64 H PHE 64 7.533 -8.738 4.956 472 HA PHE 64 HA PHE 64 8.536 -10.014 6.554 473 HB2 PHE 64 1HB PHE 64 6.158 -11.867 6.457 474 HB3 PHE 64 2HB PHE 64 7.269 -11.598 7.796 475 HD1 PHE 64 2HD PHE 64 7.322 -9.171 8.746 476 HD2 PHE 64 1HD PHE 64 4.131 -10.777 6.433 477 HE1 PHE 64 2HE PHE 64 5.804 -7.466 9.663 478 HE2 PHE 64 1HE PHE 64 2.608 -9.074 7.345 479 HZ PHE 64 HZ PHE 64 3.443 -7.416 8.963 480 H SER 65 H SER 65 9.538 -10.394 4.169 481 HA SER 65 HA SER 65 9.904 -13.308 3.973 482 HB2 SER 65 1HB SER 65 9.356 -11.322 1.801 483 HB3 SER 65 2HB SER 65 10.374 -12.718 1.448 484 HG SER 65 HG SER 65 8.343 -13.395 1.027 485 H ALA 66 H ALA 66 11.963 -13.845 2.738 486 HA ALA 66 HA ALA 66 14.166 -12.757 4.079 487 HB1 ALA 66 3HB ALA 66 14.104 -15.016 3.079 488 HB2 ALA 66 1HB ALA 66 14.198 -14.282 1.478 489 HB3 ALA 66 2HB ALA 66 15.536 -14.098 2.613 490 H SER 67 H SER 67 16.174 -12.038 2.654 491 HA SER 67 HA SER 67 15.997 -9.437 2.025 492 HB2 SER 67 1HB SER 67 18.118 -10.686 2.021 493 HB3 SER 67 2HB SER 67 17.674 -11.438 0.489 494 HG SER 67 HG SER 67 19.058 -9.377 0.600 495 H ALA 68 H ALA 68 14.289 -8.610 0.946 496 HA ALA 68 HA ALA 68 13.897 -9.507 -1.835 497 HB1 ALA 68 3HB ALA 68 12.016 -10.049 -0.256 498 HB2 ALA 68 1HB ALA 68 11.753 -8.313 -0.092 499 HB3 ALA 68 2HB ALA 68 11.566 -9.088 -1.665 500 H LYS 69 H LYS 69 13.215 -7.872 -3.349 501 HA LYS 69 HA LYS 69 14.332 -5.244 -2.678 502 HB2 LYS 69 1HB LYS 69 13.987 -6.777 -5.221 503 HB3 LYS 69 2HB LYS 69 14.055 -5.021 -5.292 504 HG2 LYS 69 1HG LYS 69 16.163 -6.676 -3.933 505 HG3 LYS 69 2HG LYS 69 16.232 -6.242 -5.643 506 HD2 LYS 69 1HD LYS 69 16.076 -3.849 -4.980 507 HD3 LYS 69 2HD LYS 69 16.174 -4.353 -3.291 508 HE2 LYS 69 1HE LYS 69 18.373 -5.133 -3.540 509 HE3 LYS 69 2HE LYS 69 18.261 -5.146 -5.299 510 HZ1 LYS 69 3HZ LYS 69 17.884 -2.597 -4.924 511 HZ2 LYS 69 1HZ LYS 69 19.446 -3.246 -4.968 512 HZ3 LYS 69 2HZ LYS 69 18.719 -2.894 -3.483 513 H TYR 70 H TYR 70 13.066 -3.520 -2.450 514 HA TYR 70 HA TYR 70 10.228 -3.763 -2.643 515 HB2 TYR 70 1HB TYR 70 12.152 -1.666 -1.792 516 HB3 TYR 70 2HB TYR 70 10.553 -1.123 -2.289 517 HD1 TYR 70 2HD TYR 70 12.423 -3.105 0.177 518 HD2 TYR 70 1HD TYR 70 8.606 -1.605 -0.955 519 HE1 TYR 70 2HE TYR 70 11.544 -3.683 2.399 520 HE2 TYR 70 1HE TYR 70 7.716 -2.178 1.265 521 HH TYR 70 HH TYR 70 8.260 -3.774 3.111 522 H LYS 71 H LYS 71 8.996 -3.457 -4.365 523 HA LYS 71 HA LYS 71 10.129 -2.439 -6.816 524 HB2 LYS 71 1HB LYS 71 8.354 -4.360 -6.422 525 HB3 LYS 71 2HB LYS 71 7.214 -3.024 -6.520 526 HG2 LYS 71 1HG LYS 71 7.882 -2.498 -8.731 527 HG3 LYS 71 2HG LYS 71 9.278 -3.575 -8.635 528 HD2 LYS 71 1HD LYS 71 6.460 -4.582 -8.348 529 HD3 LYS 71 2HD LYS 71 7.240 -4.414 -9.923 530 HE2 LYS 71 1HE LYS 71 8.371 -6.010 -7.629 531 HE3 LYS 71 2HE LYS 71 7.398 -6.698 -8.928 532 HZ1 LYS 71 3HZ LYS 71 9.800 -5.129 -9.579 533 HZ2 LYS 71 1HZ LYS 71 9.051 -6.358 -10.469 534 HZ3 LYS 71 2HZ LYS 71 9.961 -6.742 -9.095 535 H SER 72 H SER 72 9.103 -0.746 -8.088 536 HA SER 72 HA SER 72 7.449 1.164 -6.651 537 HB2 SER 72 1HB SER 72 8.994 3.046 -7.112 538 HB3 SER 72 2HB SER 72 9.700 1.860 -6.015 539 HG SER 72 HG SER 72 10.373 2.483 -8.648 540 H GLU 73 H GLU 73 6.060 2.179 -7.972 541 HA GLU 73 HA GLU 73 6.658 2.357 -10.829 542 HB2 GLU 73 1HB GLU 73 5.222 0.262 -10.087 543 HB3 GLU 73 2HB GLU 73 3.923 1.446 -10.054 544 HG2 GLU 73 1HG GLU 73 4.246 0.117 -12.194 545 HG3 GLU 73 2HG GLU 73 4.083 1.866 -12.342 546 H ASP 74 H ASP 74 5.920 4.182 -11.767 547 HA ASP 74 HA ASP 74 4.648 6.143 -10.041 548 HB2 ASP 74 1HB ASP 74 5.421 7.768 -11.503 549 HB3 ASP 74 2HB ASP 74 6.649 6.518 -11.686 550 H THR 75 H THR 75 2.661 7.066 -10.369 551 HA THR 75 HA THR 75 1.077 6.396 -12.694 552 HB THR 75 HB THR 75 0.755 4.436 -11.182 553 HG1 THR 75 1HG THR 75 -1.035 4.553 -12.323 554 HG21 THR 75 3HG2 THR 75 -0.390 4.648 -9.107 555 HG22 THR 75 1HG2 THR 75 -0.703 6.362 -9.378 556 HG23 THR 75 2HG2 THR 75 0.941 5.804 -9.067 557 H THR 76 H THR 76 -0.341 7.976 -13.156 558 HA THR 76 HA THR 76 -0.554 10.192 -11.259 559 HB THR 76 HB THR 76 -1.498 11.456 -13.195 560 HG1 THR 76 1HG THR 76 -0.613 9.377 -14.879 561 HG21 THR 76 3HG2 THR 76 0.842 10.856 -14.571 562 HG22 THR 76 1HG2 THR 76 1.205 10.452 -12.894 563 HG23 THR 76 2HG2 THR 76 0.647 12.073 -13.310 564 H SER 77 H SER 77 -2.050 7.814 -10.735 565 HA SER 77 HA SER 77 -4.742 8.965 -10.778 566 HB2 SER 77 1HB SER 77 -4.100 6.119 -11.589 567 HB3 SER 77 2HB SER 77 -5.724 6.764 -11.351 568 HG SER 77 HG SER 77 -3.874 7.884 -13.180 569 H LEU 78 H LEU 78 -6.220 7.791 -9.253 570 HA LEU 78 HA LEU 78 -4.762 7.244 -6.788 571 HB2 LEU 78 1HB LEU 78 -7.712 7.620 -7.284 572 HB3 LEU 78 2HB LEU 78 -6.953 7.443 -5.704 573 HG LEU 78 HG LEU 78 -6.356 9.717 -7.588 574 HD11 LEU 78 1HD1 LEU 78 -8.521 9.352 -5.579 575 HD12 LEU 78 2HD1 LEU 78 -8.550 10.182 -7.134 576 HD13 LEU 78 3HD1 LEU 78 -7.770 10.939 -5.746 577 HD21 LEU 78 3HD2 LEU 78 -4.824 8.912 -5.595 578 HD22 LEU 78 1HD2 LEU 78 -6.004 9.807 -4.637 579 HD23 LEU 78 2HD2 LEU 78 -5.100 10.626 -5.911 580 H SER 79 H SER 79 -4.903 5.287 -8.997 581 HA SER 79 HA SER 79 -5.547 2.986 -7.399 582 HB2 SER 79 1HB SER 79 -7.160 2.020 -9.021 583 HB3 SER 79 2HB SER 79 -7.777 3.479 -8.246 584 HG SER 79 HG SER 79 -8.098 4.104 -10.228 585 H TYR 80 H TYR 80 -4.160 1.408 -7.872 586 HA TYR 80 HA TYR 80 -2.961 1.336 -10.557 587 HB2 TYR 80 1HB TYR 80 -1.346 2.398 -9.078 588 HB3 TYR 80 2HB TYR 80 -1.491 1.076 -7.925 589 HD1 TYR 80 2HD TYR 80 -0.556 -1.146 -8.467 590 HD2 TYR 80 1HD TYR 80 0.020 2.198 -11.035 591 HE1 TYR 80 2HE TYR 80 1.276 -2.336 -9.597 592 HE2 TYR 80 1HE TYR 80 1.852 1.016 -12.173 593 HH TYR 80 HH TYR 80 2.377 -1.765 -12.414 594 H THR 81 H THR 81 -2.589 -0.668 -11.402 595 HA THR 81 HA THR 81 -3.598 -2.937 -9.822 596 HB THR 81 HB THR 81 -3.323 -2.813 -12.827 597 HG1 THR 81 1HG THR 81 -5.136 -1.733 -12.838 598 HG21 THR 81 3HG2 THR 81 -4.108 -4.856 -10.908 599 HG22 THR 81 1HG2 THR 81 -3.699 -5.010 -12.616 600 HG23 THR 81 2HG2 THR 81 -5.339 -4.573 -12.138 601 H ALA 82 H ALA 82 -1.948 -3.990 -8.906 602 HA ALA 82 HA ALA 82 0.645 -4.145 -10.166 603 HB1 ALA 82 3HB ALA 82 1.131 -5.615 -8.125 604 HB2 ALA 82 1HB ALA 82 0.764 -3.912 -7.845 605 HB3 ALA 82 2HB ALA 82 -0.473 -5.139 -7.565 606 H THR 83 H THR 83 0.595 -5.403 -11.966 607 HA THR 83 HA THR 83 -0.614 -8.065 -11.804 608 HB THR 83 HB THR 83 -0.203 -8.168 -14.254 609 HG1 THR 83 1HG THR 83 0.362 -5.416 -14.256 610 HG21 THR 83 3HG2 THR 83 -2.355 -7.477 -13.925 611 HG22 THR 83 1HG2 THR 83 -1.724 -6.035 -14.720 612 HG23 THR 83 2HG2 THR 83 -1.875 -6.079 -12.963 613 H GLY 84 H GLY 84 0.554 -9.943 -12.502 614 HA2 GLY 84 1HA GLY 84 2.425 -11.275 -12.775 615 HA3 GLY 84 2HA GLY 84 3.396 -9.816 -12.910 616 H LEU 85 H LEU 85 1.364 -11.201 -10.329 617 HA LEU 85 HA LEU 85 3.657 -10.880 -8.508 618 HB2 LEU 85 1HB LEU 85 0.843 -11.134 -7.544 619 HB3 LEU 85 2HB LEU 85 2.225 -10.358 -6.771 620 HG LEU 85 HG LEU 85 0.977 -9.207 -9.246 621 HD11 LEU 85 1HD1 LEU 85 -0.170 -9.359 -6.574 622 HD12 LEU 85 2HD1 LEU 85 -0.909 -8.881 -8.102 623 HD13 LEU 85 3HD1 LEU 85 0.010 -7.706 -7.162 624 HD21 LEU 85 3HD2 LEU 85 1.978 -7.376 -7.264 625 HD22 LEU 85 1HD2 LEU 85 2.456 -7.578 -8.949 626 HD23 LEU 85 2HD2 LEU 85 3.210 -8.564 -7.696 627 H LYS 86 H LYS 86 3.333 -12.397 -6.498 628 HA LYS 86 HA LYS 86 3.279 -15.097 -7.561 629 HB2 LYS 86 1HB LYS 86 5.081 -14.261 -6.015 630 HB3 LYS 86 2HB LYS 86 3.876 -14.210 -4.736 631 HG2 LYS 86 1HG LYS 86 3.492 -16.660 -5.142 632 HG3 LYS 86 2HG LYS 86 4.906 -16.625 -6.199 633 HD2 LYS 86 1HD LYS 86 4.955 -15.718 -3.326 634 HD3 LYS 86 2HD LYS 86 5.346 -17.363 -3.834 635 HE2 LYS 86 1HE LYS 86 6.731 -15.109 -5.190 636 HE3 LYS 86 2HE LYS 86 7.209 -15.500 -3.539 637 HZ1 LYS 86 3HZ LYS 86 8.492 -17.057 -4.432 638 HZ2 LYS 86 1HZ LYS 86 7.789 -16.885 -5.962 639 HZ3 LYS 86 2HZ LYS 86 7.086 -17.915 -4.820 640 HA PRO 87 HA PRO 87 -0.848 -15.927 -6.218 641 HB2 PRO 87 1HB PRO 87 -0.748 -18.634 -6.394 642 HB3 PRO 87 2HB PRO 87 -0.860 -17.583 -7.811 643 HG2 PRO 87 1HG PRO 87 1.544 -18.919 -6.628 644 HG3 PRO 87 2HG PRO 87 1.076 -18.761 -8.331 645 HD2 PRO 87 1HD PRO 87 2.938 -17.169 -7.178 646 HD3 PRO 87 2HD PRO 87 1.873 -16.603 -8.480 647 H ASN 88 H ASN 88 -1.944 -16.616 -4.391 648 HA ASN 88 HA ASN 88 -2.198 -16.970 -2.153 649 HB2 ASN 88 1HB ASN 88 -1.438 -19.087 -1.348 650 HB3 ASN 88 2HB ASN 88 -1.808 -19.298 -3.057 651 HD21 ASN 88 1HD2 ASN 88 -0.237 -19.920 -4.427 652 HD22 ASN 88 2HD2 ASN 88 1.397 -20.230 -3.960 653 H THR 89 H THR 89 -0.251 -14.998 -2.867 654 HA THR 89 HA THR 89 1.399 -15.095 -0.441 655 HB THR 89 HB THR 89 2.482 -14.023 -3.044 656 HG1 THR 89 1HG THR 89 2.050 -16.388 -3.003 657 HG21 THR 89 3HG2 THR 89 3.895 -14.879 -0.518 658 HG22 THR 89 1HG2 THR 89 3.455 -13.213 -0.893 659 HG23 THR 89 2HG2 THR 89 4.606 -14.073 -1.916 660 H MET 90 H MET 90 1.177 -13.322 0.756 661 HA MET 90 HA MET 90 -0.104 -10.977 -0.449 662 HB2 MET 90 1HB MET 90 -1.259 -11.845 1.482 663 HB3 MET 90 2HB MET 90 0.222 -11.828 2.431 664 HG2 MET 90 1HG MET 90 -0.701 -9.262 1.273 665 HG3 MET 90 2HG MET 90 -1.610 -9.932 2.625 666 HE1 MET 90 3HE MET 90 0.117 -9.950 5.510 667 HE2 MET 90 1HE MET 90 -0.262 -11.223 4.349 668 HE3 MET 90 2HE MET 90 1.415 -10.907 4.794 669 H TYR 91 H TYR 91 0.721 -8.888 -0.157 670 HA TYR 91 HA TYR 91 3.456 -8.695 0.894 671 HB2 TYR 91 1HB TYR 91 2.921 -7.044 -1.486 672 HB3 TYR 91 2HB TYR 91 4.365 -7.946 -1.040 673 HD1 TYR 91 1HD TYR 91 4.045 -10.597 -1.167 674 HD2 TYR 91 2HD TYR 91 1.757 -7.747 -3.347 675 HE1 TYR 91 1HE TYR 91 3.481 -12.325 -2.824 676 HE2 TYR 91 2HE TYR 91 1.187 -9.468 -5.009 677 HH TYR 91 HH TYR 91 2.547 -12.731 -4.816 678 H GLU 92 H GLU 92 4.014 -6.106 0.513 679 HA GLU 92 HA GLU 92 1.961 -4.768 2.122 680 HB2 GLU 92 1HB GLU 92 4.899 -4.238 1.709 681 HB3 GLU 92 2HB GLU 92 3.840 -3.083 2.504 682 HG2 GLU 92 1HG GLU 92 3.354 -4.635 4.257 683 HG3 GLU 92 2HG GLU 92 4.219 -5.922 3.419 684 H PHE 93 H PHE 93 1.024 -2.859 1.521 685 HA PHE 93 HA PHE 93 1.785 -1.734 -1.085 686 HB2 PHE 93 1HB PHE 93 -1.002 -2.433 -0.153 687 HB3 PHE 93 2HB PHE 93 -0.676 -1.383 -1.528 688 HD1 PHE 93 2HD PHE 93 -0.260 -4.813 -0.226 689 HD2 PHE 93 1HD PHE 93 -0.113 -2.269 -3.635 690 HE1 PHE 93 2HE PHE 93 -0.095 -6.786 -1.686 691 HE2 PHE 93 1HE PHE 93 0.052 -4.238 -5.101 692 HZ PHE 93 HZ PHE 93 0.062 -6.500 -4.127 693 H SER 94 H SER 94 1.735 0.456 -1.231 694 HA SER 94 HA SER 94 0.384 2.050 0.774 695 HB2 SER 94 1HB SER 94 2.804 1.341 1.557 696 HB3 SER 94 2HB SER 94 3.303 2.630 0.462 697 HG SER 94 HG SER 94 1.278 3.089 2.359 698 H VAL 95 H VAL 95 0.882 4.462 0.352 699 HA VAL 95 HA VAL 95 1.482 5.015 -2.451 700 HB VAL 95 HB VAL 95 -1.113 5.871 -1.159 701 HG11 VAL 95 1HG1 VAL 95 -0.144 6.345 -3.974 702 HG12 VAL 95 2HG1 VAL 95 -1.640 6.934 -3.246 703 HG13 VAL 95 3HG1 VAL 95 -0.084 7.545 -2.683 704 HG21 VAL 95 3HG2 VAL 95 -0.852 3.447 -1.960 705 HG22 VAL 95 1HG2 VAL 95 -2.236 4.366 -2.551 706 HG23 VAL 95 2HG2 VAL 95 -0.828 4.128 -3.586 707 H MET 96 H MET 96 2.037 7.182 -2.876 708 HA MET 96 HA MET 96 2.103 9.058 -0.654 709 HB2 MET 96 1HB MET 96 4.553 9.507 -1.078 710 HB3 MET 96 2HB MET 96 4.189 7.985 -0.275 711 HG2 MET 96 1HG MET 96 4.602 6.739 -2.235 712 HG3 MET 96 2HG MET 96 4.622 8.189 -3.237 713 HE1 MET 96 3HE MET 96 7.672 9.854 -2.980 714 HE2 MET 96 1HE MET 96 5.982 10.130 -2.556 715 HE3 MET 96 2HE MET 96 7.212 10.097 -1.294 716 H VAL 97 H VAL 97 3.447 11.108 -1.554 717 HA VAL 97 HA VAL 97 2.840 11.584 -4.365 718 HB VAL 97 HB VAL 97 0.775 12.267 -3.326 719 HG11 VAL 97 1HG1 VAL 97 1.545 14.478 -1.733 720 HG12 VAL 97 2HG1 VAL 97 0.720 13.001 -1.232 721 HG13 VAL 97 3HG1 VAL 97 2.482 13.083 -1.200 722 HG21 VAL 97 3HG2 VAL 97 2.598 14.220 -4.532 723 HG22 VAL 97 1HG2 VAL 97 0.943 13.792 -4.965 724 HG23 VAL 97 2HG2 VAL 97 1.245 14.930 -3.652 725 H THR 98 H THR 98 4.236 12.970 -5.315 726 HA THR 98 HA THR 98 6.188 14.312 -3.561 727 HB THR 98 HB THR 98 6.596 13.252 -6.364 728 HG1 THR 98 1HG THR 98 7.120 12.276 -3.807 729 HG21 THR 98 3HG2 THR 98 8.466 14.462 -6.520 730 HG22 THR 98 1HG2 THR 98 8.983 13.988 -4.902 731 HG23 THR 98 2HG2 THR 98 7.907 15.370 -5.115 732 H LYS 99 H LYS 99 5.328 16.335 -3.408 733 HA LYS 99 HA LYS 99 5.051 17.825 -5.934 734 HB2 LYS 99 1HB LYS 99 2.890 17.287 -4.592 735 HB3 LYS 99 2HB LYS 99 3.462 18.529 -3.485 736 HG2 LYS 99 1HG LYS 99 3.673 19.937 -5.695 737 HG3 LYS 99 2HG LYS 99 2.473 18.781 -6.276 738 HD2 LYS 99 1HD LYS 99 2.093 20.168 -3.650 739 HD3 LYS 99 2HD LYS 99 1.683 20.988 -5.158 740 HE2 LYS 99 1HE LYS 99 0.622 18.289 -4.329 741 HE3 LYS 99 2HE LYS 99 -0.235 19.813 -4.099 742 HZ1 LYS 99 3HZ LYS 99 -0.542 18.274 -6.237 743 HZ2 LYS 99 1HZ LYS 99 0.706 19.271 -6.794 744 HZ3 LYS 99 2HZ LYS 99 -0.751 19.952 -6.272 745 H ASN 100 H ASN 100 5.570 20.083 -5.827 746 HA ASN 100 HA ASN 100 6.847 21.868 -5.230 747 HB2 ASN 100 1HB ASN 100 6.048 20.727 -2.598 748 HB3 ASN 100 2HB ASN 100 7.354 21.909 -2.606 749 HD21 ASN 100 1HD2 ASN 100 6.765 23.801 -4.229 750 HD22 ASN 100 2HD2 ASN 100 5.221 24.514 -3.924 751 H ARG 101 H ARG 101 8.164 19.638 -6.221 752 HA ARG 101 HA ARG 101 10.209 18.648 -6.399 753 HB2 ARG 101 1HB ARG 101 10.834 21.025 -6.694 754 HB3 ARG 101 2HB ARG 101 11.111 21.150 -4.962 755 HG2 ARG 101 1HG ARG 101 13.235 20.708 -5.495 756 HG3 ARG 101 2HG ARG 101 12.686 19.034 -5.590 757 HD2 ARG 101 1HD ARG 101 13.944 19.571 -7.573 758 HD3 ARG 101 2HD ARG 101 12.247 19.354 -8.001 759 HE ARG 101 HE ARG 101 12.674 22.069 -7.514 760 HH11 ARG 101 1HH1 ARG 101 13.636 19.617 -9.790 761 HH12 ARG 101 2HH1 ARG 101 13.843 20.731 -11.101 762 HH21 ARG 101 1HH2 ARG 101 12.942 23.545 -9.232 763 HH22 ARG 101 2HH2 ARG 101 13.449 22.965 -10.782 764 H ARG 102 H ARG 102 8.763 17.653 -4.287 765 HA ARG 102 HA ARG 102 10.851 16.601 -2.631 766 HB2 ARG 102 1HB ARG 102 10.076 17.356 -0.500 767 HB3 ARG 102 2HB ARG 102 10.293 18.777 -1.513 768 HG2 ARG 102 1HG ARG 102 8.004 19.118 -1.741 769 HG3 ARG 102 2HG ARG 102 7.615 17.467 -1.255 770 HD2 ARG 102 1HD ARG 102 7.086 18.575 0.671 771 HD3 ARG 102 2HD ARG 102 8.784 18.218 0.985 772 HE ARG 102 HE ARG 102 7.606 20.810 0.505 773 HH11 ARG 102 1HH1 ARG 102 10.527 18.916 0.556 774 HH12 ARG 102 2HH1 ARG 102 11.567 20.287 0.758 775 HH21 ARG 102 1HH2 ARG 102 8.966 22.623 0.771 776 HH22 ARG 102 2HH2 ARG 102 10.678 22.395 0.881 777 H SER 103 H SER 103 10.236 14.722 -1.533 778 HA SER 103 HA SER 103 7.671 13.614 -2.428 779 HB2 SER 103 1HB SER 103 8.629 11.480 -2.321 780 HB3 SER 103 2HB SER 103 9.968 12.485 -2.878 781 HG SER 103 HG SER 103 10.459 11.010 -1.110 782 H SER 104 H SER 104 6.168 12.823 -1.026 783 HA SER 104 HA SER 104 6.417 13.673 1.736 784 HB2 SER 104 1HB SER 104 4.102 13.489 1.876 785 HB3 SER 104 2HB SER 104 4.326 13.882 0.172 786 HG SER 104 HG SER 104 3.973 11.283 1.260 787 H THR 105 H THR 105 5.025 11.947 3.204 788 HA THR 105 HA THR 105 6.784 9.630 3.300 789 HB THR 105 HB THR 105 6.324 10.941 5.365 790 HG1 THR 105 1HG THR 105 6.073 9.091 6.641 791 HG21 THR 105 3HG2 THR 105 3.981 11.492 4.938 792 HG22 THR 105 1HG2 THR 105 4.159 10.666 6.485 793 HG23 THR 105 2HG2 THR 105 3.546 9.789 5.082 794 H TRP 106 H TRP 106 5.801 7.493 3.885 795 HA TRP 106 HA TRP 106 3.668 6.909 2.004 796 HB2 TRP 106 1HB TRP 106 5.271 5.027 3.750 797 HB3 TRP 106 2HB TRP 106 4.205 4.564 2.427 798 HD1 TRP 106 HD TRP 106 7.639 6.116 3.102 799 HE1 TRP 106 1HE TRP 106 9.019 6.035 0.931 800 HE3 TRP 106 3HE TRP 106 4.002 4.507 -0.109 801 HZ2 TRP 106 2HZ TRP 106 8.617 5.376 -1.785 802 HZ3 TRP 106 3HZ TRP 106 4.582 4.177 -2.478 803 HH2 TRP 106 HH TRP 106 6.842 4.603 -3.296 804 H SER 107 H SER 107 1.622 6.376 2.510 805 HA SER 107 HA SER 107 0.721 6.813 5.204 806 HB2 SER 107 1HB SER 107 -0.631 7.598 3.329 807 HB3 SER 107 2HB SER 107 -0.789 5.949 2.726 808 HG SER 107 HG SER 107 -2.287 5.571 4.159 809 H MET 108 H MET 108 -1.006 5.213 6.065 810 HA MET 108 HA MET 108 0.139 2.960 7.023 811 HB2 MET 108 1HB MET 108 -2.150 2.037 7.333 812 HB3 MET 108 2HB MET 108 -1.997 3.711 7.849 813 HG2 MET 108 1HG MET 108 -3.323 4.501 6.171 814 HG3 MET 108 2HG MET 108 -2.922 3.176 5.081 815 HE1 MET 108 3HE MET 108 -5.831 0.950 5.267 816 HE2 MET 108 1HE MET 108 -4.822 1.989 4.260 817 HE3 MET 108 2HE MET 108 -4.083 0.718 5.234 818 H THR 109 H THR 109 0.513 0.888 6.400 819 HA THR 109 HA THR 109 0.443 0.332 3.572 820 HB THR 109 HB THR 109 1.380 -1.367 5.892 821 HG1 THR 109 1HG THR 109 3.457 -0.758 5.023 822 HG21 THR 109 3HG2 THR 109 2.286 -2.895 4.338 823 HG22 THR 109 1HG2 THR 109 1.992 -1.811 2.979 824 HG23 THR 109 2HG2 THR 109 0.637 -2.599 3.787 825 H ALA 110 H ALA 110 -0.874 -1.046 2.498 826 HA ALA 110 HA ALA 110 -3.090 -2.221 4.033 827 HB1 ALA 110 3HB ALA 110 -4.125 -0.877 2.500 828 HB2 ALA 110 1HB ALA 110 -2.867 -1.104 1.285 829 HB3 ALA 110 2HB ALA 110 -4.046 -2.381 1.583 830 H HIS 111 H HIS 111 -2.980 -4.331 4.386 831 HA HIS 111 HA HIS 111 -1.262 -6.005 2.742 832 HB2 HIS 111 1HB HIS 111 -2.597 -6.283 5.395 833 HB3 HIS 111 2HB HIS 111 -2.204 -7.753 4.508 834 HD1 HIS 111 1HD HIS 111 0.522 -6.568 3.325 835 HD2 HIS 111 2HD HIS 111 -0.630 -6.644 7.316 836 HE1 HIS 111 1HE HIS 111 2.660 -6.453 4.644 837 HE2 HIS 111 2HE HIS 111 1.943 -6.586 7.055 838 H ALA 112 H ALA 112 -1.944 -7.422 1.255 839 HA ALA 112 HA ALA 112 -4.698 -8.351 1.244 840 HB1 ALA 112 3HB ALA 112 -5.440 -7.274 -0.581 841 HB2 ALA 112 1HB ALA 112 -4.172 -6.111 -0.192 842 HB3 ALA 112 2HB ALA 112 -3.879 -7.366 -1.397 843 H THR 113 H THR 113 -4.495 -10.476 1.053 844 HA THR 113 HA THR 113 -2.195 -11.648 -0.260 845 HB THR 113 HB THR 113 -4.521 -13.228 0.798 846 HG1 THR 113 1HG THR 113 -3.395 -11.462 2.257 847 HG21 THR 113 3HG2 THR 113 -2.354 -14.575 1.544 848 HG22 THR 113 1HG2 THR 113 -1.648 -13.692 0.192 849 HG23 THR 113 2HG2 THR 113 -3.042 -14.739 -0.071 850 H THR 114 H THR 114 -2.202 -12.863 -2.117 851 HA THR 114 HA THR 114 -4.352 -12.329 -3.969 852 HB THR 114 HB THR 114 -2.898 -13.669 -5.566 853 HG1 THR 114 1HG THR 114 -1.062 -14.493 -4.844 854 HG21 THR 114 3HG2 THR 114 -1.596 -11.300 -4.219 855 HG22 THR 114 1HG2 THR 114 -2.871 -11.200 -5.432 856 HG23 THR 114 2HG2 THR 114 -1.297 -11.869 -5.861 857 H TYR 115 H TYR 115 -5.195 -14.114 -5.367 858 HA TYR 115 HA TYR 115 -6.312 -16.164 -3.703 859 HB2 TYR 115 1HB TYR 115 -6.540 -15.748 -6.691 860 HB3 TYR 115 2HB TYR 115 -7.529 -16.842 -5.730 861 HD1 TYR 115 2HD TYR 115 -9.087 -15.879 -4.009 862 HD2 TYR 115 1HD TYR 115 -7.071 -13.450 -6.862 863 HE1 TYR 115 2HE TYR 115 -10.694 -14.065 -3.591 864 HE2 TYR 115 1HE TYR 115 -8.672 -11.628 -6.451 865 HH TYR 115 HH TYR 115 -10.385 -11.201 -4.010 866 H GLU 116 H GLU 116 -6.062 -18.399 -3.898 867 HA GLU 116 HA GLU 116 -3.431 -19.286 -4.462 868 HB2 GLU 116 1HB GLU 116 -5.331 -20.242 -2.877 869 HB3 GLU 116 2HB GLU 116 -5.687 -21.230 -4.287 870 HG2 GLU 116 1HG GLU 116 -3.385 -22.053 -4.290 871 HG3 GLU 116 2HG GLU 116 -3.037 -21.071 -2.868 872 H ALA 117 H ALA 117 -2.661 -19.372 -6.471 873 HA ALA 117 HA ALA 117 -3.853 -19.357 -8.868 874 HB1 ALA 117 3HB ALA 117 -1.471 -21.066 -8.161 875 HB2 ALA 117 1HB ALA 117 -1.936 -20.582 -9.792 876 HB3 ALA 117 2HB ALA 117 -1.439 -19.363 -8.618 877 H SER 118 H SER 118 -4.605 -20.859 -10.406 878 HA SER 118 HA SER 118 -6.080 -23.049 -9.258 879 HB2 SER 118 1HB SER 118 -7.074 -21.639 -11.015 880 HB3 SER 118 2HB SER 118 -5.829 -22.168 -12.145 881 HG SER 118 HG SER 118 -8.078 -23.291 -11.901 882 H GLY 119 H GLY 119 -3.538 -22.743 -11.736 883 HA2 GLY 119 1HA GLY 119 -1.937 -24.817 -11.002 884 HA3 GLY 119 2HA GLY 119 -3.208 -25.597 -11.931 885 HA PRO 120 HA PRO 120 0.210 -24.157 -14.780 886 HB2 PRO 120 1HB PRO 120 0.660 -26.585 -15.909 887 HB3 PRO 120 2HB PRO 120 1.482 -26.040 -14.442 888 HG2 PRO 120 1HG PRO 120 -0.885 -27.850 -14.726 889 HG3 PRO 120 2HG PRO 120 0.525 -28.011 -13.663 890 HD2 PRO 120 1HD PRO 120 -1.862 -27.079 -12.787 891 HD3 PRO 120 2HD PRO 120 -0.315 -26.523 -12.116 892 H SER 121 H SER 121 -2.879 -25.506 -14.952 893 HA SER 121 HA SER 121 -2.983 -25.242 -17.878 894 HB2 SER 121 1HB SER 121 -4.604 -26.804 -15.897 895 HB3 SER 121 2HB SER 121 -5.312 -26.365 -17.452 896 HG SER 121 HG SER 121 -3.605 -28.339 -16.902 897 H SER 122 H SER 122 -4.240 -23.741 -18.839 898 HA SER 122 HA SER 122 -5.152 -21.529 -17.312 899 HB2 SER 122 1HB SER 122 -6.065 -20.727 -19.516 900 HB3 SER 122 2HB SER 122 -4.351 -21.141 -19.547 901 HG SER 122 HG SER 122 -6.415 -22.920 -20.330 902 H GLY 123 H GLY 123 -6.658 -24.426 -18.477 903 HA2 GLY 123 1HA GLY 123 -9.067 -23.785 -17.002 904 HA3 GLY 123 2HA GLY 123 -9.290 -23.915 -18.740 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -14.487 -24.041 21.059 2 HA2 GLY 1 1HA GLY 1 -13.137 -23.882 18.747 3 HA3 GLY 1 2HA GLY 1 -14.790 -23.647 18.198 4 H SER 2 H SER 2 -12.457 -21.824 18.189 5 HA SER 2 HA SER 2 -13.794 -19.560 19.481 6 HB2 SER 2 1HB SER 2 -10.847 -20.195 19.759 7 HB3 SER 2 2HB SER 2 -11.609 -18.694 20.285 8 HG SER 2 HG SER 2 -11.900 -19.757 22.077 9 H SER 3 H SER 3 -12.979 -17.454 18.676 10 HA SER 3 HA SER 3 -11.394 -17.307 16.325 11 HB2 SER 3 1HB SER 3 -13.387 -18.320 15.304 12 HB3 SER 3 2HB SER 3 -14.386 -17.018 15.950 13 HG SER 3 HG SER 3 -12.604 -15.723 14.702 14 H GLY 4 H GLY 4 -10.968 -15.175 15.696 15 HA2 GLY 4 1HA GLY 4 -11.787 -12.810 15.825 16 HA3 GLY 4 2HA GLY 4 -12.071 -13.135 17.528 17 H SER 5 H SER 5 -10.507 -11.008 16.705 18 HA SER 5 HA SER 5 -7.946 -11.762 17.884 19 HB2 SER 5 1HB SER 5 -8.328 -10.723 15.116 20 HB3 SER 5 2HB SER 5 -6.950 -10.118 16.036 21 HG SER 5 HG SER 5 -7.558 -12.840 15.501 22 H SER 6 H SER 6 -6.580 -9.650 18.155 23 HA SER 6 HA SER 6 -8.373 -7.685 19.387 24 HB2 SER 6 1HB SER 6 -5.592 -8.607 19.931 25 HB3 SER 6 2HB SER 6 -5.993 -6.937 20.332 26 HG SER 6 HG SER 6 -7.268 -7.603 21.892 27 H GLY 7 H GLY 7 -5.329 -7.748 17.523 28 HA2 GLY 7 1HA GLY 7 -4.504 -6.304 15.940 29 HA3 GLY 7 2HA GLY 7 -6.163 -5.787 15.677 30 H PHE 8 H PHE 8 -4.098 -3.991 15.466 31 HA PHE 8 HA PHE 8 -4.908 -1.992 17.325 32 HB2 PHE 8 1HB PHE 8 -2.231 -3.310 17.682 33 HB3 PHE 8 2HB PHE 8 -2.467 -1.624 18.129 34 HD1 PHE 8 2HD PHE 8 -4.543 -1.169 19.671 35 HD2 PHE 8 1HD PHE 8 -2.614 -4.940 19.253 36 HE1 PHE 8 2HE PHE 8 -5.458 -1.874 21.843 37 HE2 PHE 8 1HE PHE 8 -3.527 -5.652 21.425 38 HZ PHE 8 HZ PHE 8 -4.950 -4.117 22.723 39 HA PRO 9 HA PRO 9 -3.702 -0.028 13.473 40 HB2 PRO 9 1HB PRO 9 -4.962 2.317 14.003 41 HB3 PRO 9 2HB PRO 9 -5.812 0.879 13.427 42 HG2 PRO 9 1HG PRO 9 -5.559 1.939 16.215 43 HG3 PRO 9 2HG PRO 9 -6.987 1.284 15.393 44 HD2 PRO 9 1HD PRO 9 -5.519 -0.169 17.144 45 HD3 PRO 9 2HD PRO 9 -6.348 -0.901 15.755 46 H THR 10 H THR 10 -2.535 1.961 12.917 47 HA THR 10 HA THR 10 -0.615 2.648 15.018 48 HB THR 10 HB THR 10 -0.444 3.276 12.066 49 HG1 THR 10 1HG THR 10 -0.194 1.145 12.022 50 HG21 THR 10 3HG2 THR 10 1.374 4.442 12.604 51 HG22 THR 10 1HG2 THR 10 2.078 3.009 13.353 52 HG23 THR 10 2HG2 THR 10 1.087 4.109 14.312 53 H SER 11 H SER 11 -0.616 4.571 15.982 54 HA SER 11 HA SER 11 -2.029 6.800 14.674 55 HB2 SER 11 1HB SER 11 -3.280 5.729 16.624 56 HB3 SER 11 2HB SER 11 -2.003 6.363 17.661 57 HG SER 11 HG SER 11 -4.109 7.651 16.517 58 H VAL 12 H VAL 12 -1.479 8.897 16.108 59 HA VAL 12 HA VAL 12 0.091 10.462 16.626 60 HB VAL 12 HB VAL 12 1.795 8.103 17.442 61 HG11 VAL 12 1HG1 VAL 12 2.497 10.769 17.186 62 HG12 VAL 12 2HG1 VAL 12 2.148 10.581 18.905 63 HG13 VAL 12 3HG1 VAL 12 3.348 9.546 18.129 64 HG21 VAL 12 3HG2 VAL 12 -0.601 9.203 18.592 65 HG22 VAL 12 1HG2 VAL 12 0.340 7.798 19.095 66 HG23 VAL 12 2HG2 VAL 12 0.759 9.402 19.697 67 HA PRO 13 HA PRO 13 2.317 9.259 12.633 68 HB2 PRO 13 1HB PRO 13 1.003 10.986 11.002 69 HB3 PRO 13 2HB PRO 13 0.445 9.336 11.303 70 HG2 PRO 13 1HG PRO 13 -0.483 11.904 12.532 71 HG3 PRO 13 2HG PRO 13 -1.442 10.528 11.956 72 HD2 PRO 13 1HD PRO 13 -0.886 10.921 14.577 73 HD3 PRO 13 2HD PRO 13 -1.065 9.302 13.871 74 H ASP 14 H ASP 14 4.153 10.308 12.167 75 HA ASP 14 HA ASP 14 4.367 13.137 12.958 76 HB2 ASP 14 1HB ASP 14 6.745 11.341 12.599 77 HB3 ASP 14 2HB ASP 14 6.590 12.794 13.583 78 H LEU 15 H LEU 15 4.999 14.621 11.495 79 HA LEU 15 HA LEU 15 6.081 13.713 8.928 80 HB2 LEU 15 1HB LEU 15 3.540 15.168 9.401 81 HB3 LEU 15 2HB LEU 15 4.515 15.663 8.019 82 HG LEU 15 HG LEU 15 3.847 12.776 8.346 83 HD11 LEU 15 1HD1 LEU 15 1.755 14.182 8.689 84 HD12 LEU 15 2HD1 LEU 15 1.712 12.983 7.397 85 HD13 LEU 15 3HD1 LEU 15 1.954 14.686 7.011 86 HD21 LEU 15 3HD2 LEU 15 3.551 13.750 5.715 87 HD22 LEU 15 1HD2 LEU 15 4.833 12.723 6.360 88 HD23 LEU 15 2HD2 LEU 15 5.018 14.478 6.374 89 H SER 16 H SER 16 7.845 14.821 8.428 90 HA SER 16 HA SER 16 8.207 17.490 9.620 91 HB2 SER 16 1HB SER 16 10.215 15.356 8.891 92 HB3 SER 16 2HB SER 16 10.682 17.019 9.248 93 HG SER 16 HG SER 16 10.669 16.369 11.243 94 H THR 17 H THR 17 6.742 17.235 7.267 95 HA THR 17 HA THR 17 8.314 18.894 5.505 96 HB THR 17 HB THR 17 7.765 17.472 3.484 97 HG1 THR 17 1HG THR 17 6.906 15.800 5.549 98 HG21 THR 17 3HG2 THR 17 9.790 16.355 3.589 99 HG22 THR 17 1HG2 THR 17 9.598 15.951 5.294 100 HG23 THR 17 2HG2 THR 17 10.005 17.600 4.819 101 HA PRO 18 HA PRO 18 4.382 20.693 4.726 102 HB2 PRO 18 1HB PRO 18 4.794 21.759 2.264 103 HB3 PRO 18 2HB PRO 18 5.515 22.427 3.733 104 HG2 PRO 18 1HG PRO 18 6.733 20.626 1.675 105 HG3 PRO 18 2HG PRO 18 7.434 22.044 2.477 106 HD2 PRO 18 1HD PRO 18 8.011 19.508 3.233 107 HD3 PRO 18 2HD PRO 18 7.964 20.860 4.383 108 H MET 19 H MET 19 5.369 17.930 3.265 109 HA MET 19 HA MET 19 3.191 17.810 1.318 110 HB2 MET 19 1HB MET 19 5.475 15.922 1.905 111 HB3 MET 19 2HB MET 19 4.219 15.602 0.716 112 HG2 MET 19 1HG MET 19 6.046 17.990 0.648 113 HG3 MET 19 2HG MET 19 6.330 16.491 -0.234 114 HE1 MET 19 3HE MET 19 4.392 15.375 -1.330 115 HE2 MET 19 1HE MET 19 2.866 16.154 -1.748 116 HE3 MET 19 2HE MET 19 4.196 16.145 -2.906 117 H LEU 20 H LEU 20 1.637 16.122 1.348 118 HA LEU 20 HA LEU 20 1.335 14.735 3.922 119 HB2 LEU 20 1HB LEU 20 -0.135 16.873 3.438 120 HB3 LEU 20 2HB LEU 20 -1.086 15.723 2.500 121 HG LEU 20 HG LEU 20 -1.964 16.092 4.779 122 HD11 LEU 20 1HD1 LEU 20 -0.993 13.374 3.968 123 HD12 LEU 20 2HD1 LEU 20 -2.612 14.058 3.837 124 HD13 LEU 20 3HD1 LEU 20 -1.969 13.613 5.417 125 HD21 LEU 20 3HD2 LEU 20 -0.782 15.720 6.689 126 HD22 LEU 20 1HD2 LEU 20 0.541 16.227 5.638 127 HD23 LEU 20 2HD2 LEU 20 0.264 14.512 5.941 128 HA PRO 21 HA PRO 21 0.969 11.328 1.063 129 HB2 PRO 21 1HB PRO 21 0.731 9.410 2.970 130 HB3 PRO 21 2HB PRO 21 2.278 10.148 2.538 131 HG2 PRO 21 1HG PRO 21 0.465 10.759 4.840 132 HG3 PRO 21 2HG PRO 21 2.231 10.608 4.817 133 HD2 PRO 21 1HD PRO 21 0.974 13.006 4.803 134 HD3 PRO 21 2HD PRO 21 2.528 12.738 3.988 135 HA PRO 22 HA PRO 22 -3.346 10.530 0.772 136 HB2 PRO 22 1HB PRO 22 -3.372 7.990 -0.184 137 HB3 PRO 22 2HB PRO 22 -2.892 9.380 -1.164 138 HG2 PRO 22 1HG PRO 22 -1.176 7.388 0.267 139 HG3 PRO 22 2HG PRO 22 -0.983 8.067 -1.360 140 HD2 PRO 22 1HD PRO 22 0.437 8.955 0.768 141 HD3 PRO 22 2HD PRO 22 -0.044 10.019 -0.570 142 H VAL 23 H VAL 23 -5.070 8.904 1.394 143 HA VAL 23 HA VAL 23 -4.365 7.312 3.748 144 HB VAL 23 HB VAL 23 -6.282 8.202 5.014 145 HG11 VAL 23 1HG1 VAL 23 -5.154 10.716 4.943 146 HG12 VAL 23 2HG1 VAL 23 -4.600 9.356 5.921 147 HG13 VAL 23 3HG1 VAL 23 -3.863 9.672 4.349 148 HG21 VAL 23 3HG2 VAL 23 -7.770 9.021 3.406 149 HG22 VAL 23 1HG2 VAL 23 -7.154 10.472 4.198 150 HG23 VAL 23 2HG2 VAL 23 -6.528 9.995 2.620 151 H GLY 24 H GLY 24 -6.631 6.300 4.565 152 HA2 GLY 24 1HA GLY 24 -8.119 4.614 4.080 153 HA3 GLY 24 2HA GLY 24 -8.712 5.735 2.863 154 H VAL 25 H VAL 25 -5.506 4.290 2.882 155 HA VAL 25 HA VAL 25 -5.689 3.459 0.191 156 HB VAL 25 HB VAL 25 -3.750 2.307 2.184 157 HG11 VAL 25 1HG1 VAL 25 -3.307 1.249 0.212 158 HG12 VAL 25 2HG1 VAL 25 -3.894 2.592 -0.770 159 HG13 VAL 25 3HG1 VAL 25 -2.309 2.687 -0.001 160 HG21 VAL 25 3HG2 VAL 25 -2.662 4.575 0.838 161 HG22 VAL 25 1HG2 VAL 25 -4.150 5.052 1.655 162 HG23 VAL 25 2HG2 VAL 25 -2.845 4.298 2.570 163 H GLN 26 H GLN 26 -6.589 1.717 -0.681 164 HA GLN 26 HA GLN 26 -7.106 -0.611 1.050 165 HB2 GLN 26 1HB GLN 26 -9.214 0.421 0.587 166 HB3 GLN 26 2HB GLN 26 -8.829 0.580 -1.122 167 HG2 GLN 26 1HG GLN 26 -8.823 -1.891 -1.298 168 HG3 GLN 26 2HG GLN 26 -9.353 -1.972 0.382 169 HE21 GLN 26 1HE2 GLN 26 -11.261 -3.014 -0.202 170 HE22 GLN 26 2HE2 GLN 26 -12.567 -2.176 -0.961 171 H ALA 27 H ALA 27 -6.404 -2.538 0.352 172 HA ALA 27 HA ALA 27 -5.222 -2.653 -2.342 173 HB1 ALA 27 3HB ALA 27 -3.881 -4.559 -1.405 174 HB2 ALA 27 1HB ALA 27 -3.540 -2.980 -0.697 175 HB3 ALA 27 2HB ALA 27 -4.533 -4.144 0.180 176 H VAL 28 H VAL 28 -6.840 -3.415 -3.614 177 HA VAL 28 HA VAL 28 -8.432 -5.692 -2.733 178 HB VAL 28 HB VAL 28 -8.588 -4.109 -5.302 179 HG11 VAL 28 1HG1 VAL 28 -9.728 -6.607 -4.563 180 HG12 VAL 28 2HG1 VAL 28 -11.020 -5.408 -4.650 181 HG13 VAL 28 3HG1 VAL 28 -9.971 -5.678 -6.042 182 HG21 VAL 28 3HG2 VAL 28 -10.543 -3.977 -3.033 183 HG22 VAL 28 1HG2 VAL 28 -9.111 -2.949 -3.067 184 HG23 VAL 28 2HG2 VAL 28 -10.305 -2.841 -4.361 185 H ALA 29 H ALA 29 -8.331 -7.716 -3.586 186 HA ALA 29 HA ALA 29 -6.011 -8.291 -5.280 187 HB1 ALA 29 3HB ALA 29 -7.547 -9.820 -3.259 188 HB2 ALA 29 1HB ALA 29 -6.824 -10.728 -4.588 189 HB3 ALA 29 2HB ALA 29 -5.808 -9.737 -3.540 190 H LEU 30 H LEU 30 -6.449 -8.265 -7.390 191 HA LEU 30 HA LEU 30 -9.062 -8.853 -8.427 192 HB2 LEU 30 1HB LEU 30 -6.498 -8.536 -9.971 193 HB3 LEU 30 2HB LEU 30 -8.143 -8.355 -10.576 194 HG LEU 30 HG LEU 30 -7.030 -6.527 -8.469 195 HD11 LEU 30 1HD1 LEU 30 -7.008 -5.861 -11.388 196 HD12 LEU 30 2HD1 LEU 30 -5.628 -6.648 -10.623 197 HD13 LEU 30 3HD1 LEU 30 -6.166 -5.067 -10.056 198 HD21 LEU 30 3HD2 LEU 30 -8.732 -5.042 -9.833 199 HD22 LEU 30 1HD2 LEU 30 -9.277 -6.129 -8.556 200 HD23 LEU 30 2HD2 LEU 30 -9.413 -6.616 -10.246 201 H THR 31 H THR 31 -5.857 -10.371 -8.782 202 HA THR 31 HA THR 31 -7.136 -12.982 -8.949 203 HB THR 31 HB THR 31 -6.894 -12.061 -11.309 204 HG1 THR 31 1HG THR 31 -5.311 -14.351 -11.177 205 HG21 THR 31 3HG2 THR 31 -4.251 -12.794 -11.826 206 HG22 THR 31 1HG2 THR 31 -4.170 -11.783 -10.383 207 HG23 THR 31 2HG2 THR 31 -4.924 -11.164 -11.853 208 H HIS 32 H HIS 32 -5.289 -14.705 -9.257 209 HA HIS 32 HA HIS 32 -3.702 -14.681 -6.991 210 HB2 HIS 32 1HB HIS 32 -2.355 -16.478 -8.246 211 HB3 HIS 32 2HB HIS 32 -4.068 -16.782 -7.976 212 HD1 HIS 32 1HD HIS 32 -5.648 -16.490 -10.082 213 HD2 HIS 32 2HD HIS 32 -1.572 -16.397 -10.882 214 HE1 HIS 32 1HE HIS 32 -5.443 -16.819 -12.567 215 HE2 HIS 32 2HE HIS 32 -2.965 -16.845 -13.015 216 H ASP 33 H ASP 33 -3.090 -13.330 -10.135 217 HA ASP 33 HA ASP 33 -0.463 -12.403 -9.176 218 HB2 ASP 33 1HB ASP 33 -1.220 -13.197 -11.996 219 HB3 ASP 33 2HB ASP 33 0.308 -12.449 -11.539 220 H ALA 34 H ALA 34 -2.814 -10.987 -8.731 221 HA ALA 34 HA ALA 34 -2.175 -8.506 -10.036 222 HB1 ALA 34 3HB ALA 34 -3.637 -9.585 -11.708 223 HB2 ALA 34 1HB ALA 34 -4.917 -9.674 -10.497 224 HB3 ALA 34 2HB ALA 34 -4.331 -8.104 -11.048 225 H VAL 35 H VAL 35 -2.978 -6.713 -8.945 226 HA VAL 35 HA VAL 35 -4.867 -7.058 -6.776 227 HB VAL 35 HB VAL 35 -1.961 -6.483 -6.294 228 HG11 VAL 35 1HG1 VAL 35 -4.243 -5.697 -4.484 229 HG12 VAL 35 2HG1 VAL 35 -2.529 -5.627 -4.071 230 HG13 VAL 35 3HG1 VAL 35 -3.173 -4.592 -5.345 231 HG21 VAL 35 3HG2 VAL 35 -2.716 -7.948 -4.224 232 HG22 VAL 35 1HG2 VAL 35 -3.999 -8.423 -5.337 233 HG23 VAL 35 2HG2 VAL 35 -2.310 -8.681 -5.776 234 H ARG 36 H ARG 36 -6.187 -5.379 -6.913 235 HA ARG 36 HA ARG 36 -5.270 -2.914 -8.171 236 HB2 ARG 36 1HB ARG 36 -7.351 -3.760 -9.008 237 HB3 ARG 36 2HB ARG 36 -8.008 -3.911 -7.384 238 HG2 ARG 36 1HG ARG 36 -9.026 -2.004 -8.248 239 HG3 ARG 36 2HG ARG 36 -7.730 -1.378 -7.226 240 HD2 ARG 36 1HD ARG 36 -7.394 -0.113 -9.098 241 HD3 ARG 36 2HD ARG 36 -6.367 -1.495 -9.480 242 HE ARG 36 HE ARG 36 -8.918 -0.816 -10.713 243 HH11 ARG 36 1HH1 ARG 36 -6.285 -3.069 -10.383 244 HH12 ARG 36 2HH1 ARG 36 -6.643 -3.904 -11.858 245 HH21 ARG 36 1HH2 ARG 36 -9.399 -1.907 -12.657 246 HH22 ARG 36 2HH2 ARG 36 -8.414 -3.242 -13.151 247 H VAL 37 H VAL 37 -4.242 -1.586 -6.805 248 HA VAL 37 HA VAL 37 -5.178 -1.307 -4.054 249 HB VAL 37 HB VAL 37 -2.773 -0.071 -5.404 250 HG11 VAL 37 1HG1 VAL 37 -2.084 0.711 -3.314 251 HG12 VAL 37 2HG1 VAL 37 -3.810 1.077 -3.356 252 HG13 VAL 37 3HG1 VAL 37 -3.224 -0.319 -2.449 253 HG21 VAL 37 3HG2 VAL 37 -2.248 -2.318 -5.353 254 HG22 VAL 37 1HG2 VAL 37 -1.629 -1.773 -3.795 255 HG23 VAL 37 2HG2 VAL 37 -3.178 -2.611 -3.884 256 H SER 38 H SER 38 -6.880 0.019 -3.868 257 HA SER 38 HA SER 38 -6.800 2.591 -5.302 258 HB2 SER 38 1HB SER 38 -9.182 2.629 -5.285 259 HB3 SER 38 2HB SER 38 -8.727 0.998 -5.776 260 HG SER 38 HG SER 38 -9.188 0.274 -3.712 261 H TRP 39 H TRP 39 -6.733 4.429 -4.167 262 HA TRP 39 HA TRP 39 -7.325 4.324 -1.288 263 HB2 TRP 39 1HB TRP 39 -5.403 5.823 -0.871 264 HB3 TRP 39 2HB TRP 39 -4.903 4.269 -1.534 265 HD1 TRP 39 HD TRP 39 -4.971 7.984 -2.335 266 HE1 TRP 39 1HE TRP 39 -3.568 8.410 -4.451 267 HE3 TRP 39 3HE TRP 39 -4.151 3.141 -3.754 268 HZ2 TRP 39 2HZ TRP 39 -2.284 6.894 -6.456 269 HZ3 TRP 39 3HZ TRP 39 -2.826 2.715 -5.784 270 HH2 TRP 39 HH TRP 39 -1.914 4.554 -7.105 271 H ALA 40 H ALA 40 -7.197 6.779 -0.464 272 HA ALA 40 HA ALA 40 -8.978 8.286 -2.260 273 HB1 ALA 40 3HB ALA 40 -9.450 7.478 0.308 274 HB2 ALA 40 1HB ALA 40 -8.897 9.138 0.534 275 HB3 ALA 40 2HB ALA 40 -10.277 8.802 -0.512 276 H ASP 41 H ASP 41 -8.843 10.665 -2.097 277 HA ASP 41 HA ASP 41 -6.061 11.537 -1.664 278 HB2 ASP 41 1HB ASP 41 -6.610 13.314 -3.395 279 HB3 ASP 41 2HB ASP 41 -6.484 11.664 -3.997 280 H ASN 42 H ASN 42 -6.195 12.370 0.369 281 HA ASN 42 HA ASN 42 -8.215 14.462 0.833 282 HB2 ASN 42 1HB ASN 42 -6.754 12.649 2.755 283 HB3 ASN 42 2HB ASN 42 -7.658 14.064 3.284 284 HD21 ASN 42 1HD2 ASN 42 -7.899 10.954 1.690 285 HD22 ASN 42 2HD2 ASN 42 -9.581 10.712 2.002 286 H SER 43 H SER 43 -5.751 14.880 -0.611 287 HA SER 43 HA SER 43 -4.321 16.648 1.263 288 HB2 SER 43 1HB SER 43 -2.960 14.798 0.270 289 HB3 SER 43 2HB SER 43 -3.262 15.488 -1.325 290 HG SER 43 HG SER 43 -1.515 16.582 -0.877 291 H VAL 44 H VAL 44 -6.779 17.173 -0.333 292 HA VAL 44 HA VAL 44 -5.889 19.692 -1.483 293 HB VAL 44 HB VAL 44 -5.828 18.221 -3.417 294 HG11 VAL 44 1HG1 VAL 44 -8.157 17.093 -2.203 295 HG12 VAL 44 2HG1 VAL 44 -8.541 17.600 -3.850 296 HG13 VAL 44 3HG1 VAL 44 -7.205 16.486 -3.557 297 HG21 VAL 44 3HG2 VAL 44 -8.115 20.172 -3.321 298 HG22 VAL 44 1HG2 VAL 44 -6.483 20.427 -3.940 299 HG23 VAL 44 2HG2 VAL 44 -7.603 19.379 -4.811 300 HA PRO 45 HA PRO 45 -9.586 20.908 0.640 301 HB2 PRO 45 1HB PRO 45 -9.599 23.493 -0.189 302 HB3 PRO 45 2HB PRO 45 -8.499 22.889 1.056 303 HG2 PRO 45 1HG PRO 45 -7.985 23.370 -1.853 304 HG3 PRO 45 2HG PRO 45 -6.961 23.755 -0.458 305 HD2 PRO 45 1HD PRO 45 -6.541 21.583 -2.019 306 HD3 PRO 45 2HD PRO 45 -6.173 21.596 -0.282 307 H LYS 46 H LYS 46 -11.557 22.381 -0.029 308 HA LYS 46 HA LYS 46 -12.770 21.089 -2.289 309 HB2 LYS 46 1HB LYS 46 -14.773 22.373 -1.667 310 HB3 LYS 46 2HB LYS 46 -14.080 21.537 -0.283 311 HG2 LYS 46 1HG LYS 46 -12.854 23.838 0.072 312 HG3 LYS 46 2HG LYS 46 -14.215 24.446 -0.873 313 HD2 LYS 46 1HD LYS 46 -15.779 23.472 0.711 314 HD3 LYS 46 2HD LYS 46 -14.443 22.778 1.633 315 HE2 LYS 46 1HE LYS 46 -13.788 24.821 2.473 316 HE3 LYS 46 2HE LYS 46 -14.499 25.719 1.132 317 HZ1 LYS 46 3HZ LYS 46 -15.971 24.401 3.348 318 HZ2 LYS 46 1HZ LYS 46 -16.703 25.153 2.021 319 HZ3 LYS 46 2HZ LYS 46 -15.787 26.066 3.111 320 H ASN 47 H ASN 47 -11.676 24.362 -1.517 321 HA ASN 47 HA ASN 47 -11.799 24.992 -4.386 322 HB2 ASN 47 1HB ASN 47 -12.998 26.483 -2.106 323 HB3 ASN 47 2HB ASN 47 -12.255 27.433 -3.389 324 HD21 ASN 47 1HD2 ASN 47 -14.501 24.736 -2.911 325 HD22 ASN 47 2HD2 ASN 47 -15.567 25.171 -4.199 326 H GLN 48 H GLN 48 -9.901 25.624 -5.160 327 HA GLN 48 HA GLN 48 -8.074 27.157 -3.485 328 HB2 GLN 48 1HB GLN 48 -6.171 25.699 -4.007 329 HB3 GLN 48 2HB GLN 48 -7.406 24.841 -3.095 330 HG2 GLN 48 1HG GLN 48 -6.775 24.611 -6.021 331 HG3 GLN 48 2HG GLN 48 -6.641 23.371 -4.775 332 HE21 GLN 48 1HE2 GLN 48 -8.698 24.960 -7.007 333 HE22 GLN 48 2HE2 GLN 48 -10.118 24.021 -6.711 334 H LYS 49 H LYS 49 -6.695 28.489 -4.623 335 HA LYS 49 HA LYS 49 -7.449 28.999 -7.365 336 HB2 LYS 49 1HB LYS 49 -5.358 30.382 -5.675 337 HB3 LYS 49 2HB LYS 49 -6.042 30.973 -7.184 338 HG2 LYS 49 1HG LYS 49 -8.292 30.921 -5.982 339 HG3 LYS 49 2HG LYS 49 -7.353 30.746 -4.497 340 HD2 LYS 49 1HD LYS 49 -6.400 32.853 -4.702 341 HD3 LYS 49 2HD LYS 49 -6.717 32.937 -6.436 342 HE2 LYS 49 1HE LYS 49 -9.162 33.027 -5.888 343 HE3 LYS 49 2HE LYS 49 -8.713 33.176 -4.190 344 HZ1 LYS 49 3HZ LYS 49 -8.502 35.342 -4.505 345 HZ2 LYS 49 1HZ LYS 49 -8.838 35.185 -6.156 346 HZ3 LYS 49 2HZ LYS 49 -7.244 35.068 -5.603 347 H THR 50 H THR 50 -4.327 28.461 -5.719 348 HA THR 50 HA THR 50 -2.941 27.971 -8.166 349 HB THR 50 HB THR 50 -1.057 27.265 -6.717 350 HG1 THR 50 1HG THR 50 -3.101 27.251 -4.828 351 HG21 THR 50 3HG2 THR 50 -1.752 29.644 -5.246 352 HG22 THR 50 1HG2 THR 50 -2.209 29.808 -6.941 353 HG23 THR 50 2HG2 THR 50 -0.542 29.425 -6.510 354 H SER 51 H SER 51 -2.529 26.103 -9.200 355 HA SER 51 HA SER 51 -3.428 23.604 -7.922 356 HB2 SER 51 1HB SER 51 -3.636 24.343 -10.851 357 HB3 SER 51 2HB SER 51 -4.115 22.800 -10.145 358 HG SER 51 HG SER 51 -5.202 25.115 -9.036 359 H GLU 52 H GLU 52 -1.381 23.011 -7.224 360 HA GLU 52 HA GLU 52 0.788 22.850 -9.154 361 HB2 GLU 52 1HB GLU 52 0.566 22.435 -6.192 362 HB3 GLU 52 2HB GLU 52 1.964 21.826 -7.065 363 HG2 GLU 52 1HG GLU 52 1.054 24.694 -7.079 364 HG3 GLU 52 2HG GLU 52 2.322 24.043 -6.042 365 H VAL 53 H VAL 53 1.296 21.083 -10.265 366 HA VAL 53 HA VAL 53 -0.269 18.803 -10.373 367 HB VAL 53 HB VAL 53 1.514 19.611 -12.035 368 HG11 VAL 53 1HG1 VAL 53 3.718 19.001 -11.791 369 HG12 VAL 53 2HG1 VAL 53 3.285 19.372 -10.121 370 HG13 VAL 53 3HG1 VAL 53 3.345 17.695 -10.666 371 HG21 VAL 53 3HG2 VAL 53 0.513 17.757 -12.855 372 HG22 VAL 53 1HG2 VAL 53 2.066 17.015 -12.472 373 HG23 VAL 53 2HG2 VAL 53 0.713 16.854 -11.353 374 H ARG 54 H ARG 54 -0.012 16.680 -9.623 375 HA ARG 54 HA ARG 54 1.951 16.238 -7.497 376 HB2 ARG 54 1HB ARG 54 -0.940 15.469 -7.134 377 HB3 ARG 54 2HB ARG 54 0.345 15.455 -5.933 378 HG2 ARG 54 1HG ARG 54 -0.345 18.051 -7.190 379 HG3 ARG 54 2HG ARG 54 -1.474 17.366 -6.020 380 HD2 ARG 54 1HD ARG 54 0.453 17.126 -4.438 381 HD3 ARG 54 2HD ARG 54 1.434 18.029 -5.593 382 HE ARG 54 HE ARG 54 0.330 19.963 -4.991 383 HH11 ARG 54 1HH1 ARG 54 -1.238 17.196 -3.576 384 HH12 ARG 54 2HH1 ARG 54 -2.237 18.138 -2.520 385 HH21 ARG 54 1HH2 ARG 54 -0.980 21.215 -3.605 386 HH22 ARG 54 2HH2 ARG 54 -2.090 20.424 -2.538 387 H LEU 55 H LEU 55 2.812 14.240 -7.507 388 HA LEU 55 HA LEU 55 1.622 12.270 -9.344 389 HB2 LEU 55 1HB LEU 55 3.678 12.775 -10.268 390 HB3 LEU 55 2HB LEU 55 4.447 12.982 -8.696 391 HG LEU 55 HG LEU 55 4.230 10.467 -8.420 392 HD11 LEU 55 1HD1 LEU 55 3.860 9.114 -10.320 393 HD12 LEU 55 2HD1 LEU 55 3.873 10.503 -11.405 394 HD13 LEU 55 3HD1 LEU 55 2.535 10.276 -10.279 395 HD21 LEU 55 3HD2 LEU 55 6.087 10.214 -10.356 396 HD22 LEU 55 1HD2 LEU 55 6.401 10.953 -8.786 397 HD23 LEU 55 2HD2 LEU 55 6.051 11.969 -10.184 398 H TYR 56 H TYR 56 1.348 10.175 -8.681 399 HA TYR 56 HA TYR 56 1.856 9.653 -5.826 400 HB2 TYR 56 1HB TYR 56 -0.411 8.853 -7.629 401 HB3 TYR 56 2HB TYR 56 -0.050 7.929 -6.176 402 HD1 TYR 56 1HD TYR 56 -0.055 11.603 -6.858 403 HD2 TYR 56 2HD TYR 56 -1.675 8.384 -4.596 404 HE1 TYR 56 1HE TYR 56 -1.358 13.206 -5.522 405 HE2 TYR 56 2HE TYR 56 -2.983 9.978 -3.255 406 HH TYR 56 HH TYR 56 -3.611 12.104 -3.016 407 H THR 57 H THR 57 3.064 7.944 -5.284 408 HA THR 57 HA THR 57 3.877 6.107 -7.439 409 HB THR 57 HB THR 57 5.405 6.725 -4.905 410 HG1 THR 57 1HG THR 57 5.101 8.373 -6.800 411 HG21 THR 57 3HG2 THR 57 7.137 5.428 -5.753 412 HG22 THR 57 1HG2 THR 57 6.528 5.514 -7.405 413 HG23 THR 57 2HG2 THR 57 5.709 4.502 -6.215 414 H VAL 58 H VAL 58 3.971 3.896 -7.042 415 HA VAL 58 HA VAL 58 2.699 2.991 -4.541 416 HB VAL 58 HB VAL 58 2.302 1.799 -7.290 417 HG11 VAL 58 1HG1 VAL 58 2.292 0.310 -5.160 418 HG12 VAL 58 2HG1 VAL 58 0.728 1.069 -4.854 419 HG13 VAL 58 3HG1 VAL 58 0.989 0.151 -6.338 420 HG21 VAL 58 3HG2 VAL 58 -0.161 2.525 -6.439 421 HG22 VAL 58 1HG2 VAL 58 0.821 3.810 -5.735 422 HG23 VAL 58 2HG2 VAL 58 0.861 3.522 -7.475 423 H ARG 59 H ARG 59 3.794 1.510 -3.424 424 HA ARG 59 HA ARG 59 5.869 -0.050 -4.813 425 HB2 ARG 59 1HB ARG 59 7.462 0.373 -3.184 426 HB3 ARG 59 2HB ARG 59 6.647 1.927 -3.305 427 HG2 ARG 59 1HG ARG 59 5.177 1.011 -1.369 428 HG3 ARG 59 2HG ARG 59 6.517 -0.113 -1.133 429 HD2 ARG 59 1HD ARG 59 6.905 2.864 -1.306 430 HD3 ARG 59 2HD ARG 59 6.576 2.037 0.216 431 HE ARG 59 HE ARG 59 9.047 2.059 -1.243 432 HH11 ARG 59 1HH1 ARG 59 7.091 0.284 1.025 433 HH12 ARG 59 2HH1 ARG 59 8.434 -0.555 1.727 434 HH21 ARG 59 1HH2 ARG 59 10.824 0.961 -0.327 435 HH22 ARG 59 2HH2 ARG 59 10.558 -0.168 0.958 436 H TRP 60 H TRP 60 6.056 -2.172 -4.244 437 HA TRP 60 HA TRP 60 4.595 -3.185 -1.939 438 HB2 TRP 60 1HB TRP 60 3.394 -4.873 -3.269 439 HB3 TRP 60 2HB TRP 60 2.923 -3.238 -3.723 440 HD1 TRP 60 HD TRP 60 4.461 -6.389 -5.115 441 HE1 TRP 60 1HE TRP 60 4.877 -6.095 -7.638 442 HE3 TRP 60 3HE TRP 60 3.557 -1.373 -5.507 443 HZ2 TRP 60 2HZ TRP 60 4.829 -4.012 -9.542 444 HZ3 TRP 60 3HZ TRP 60 3.764 -0.306 -7.715 445 HH2 TRP 60 HH TRP 60 4.388 -1.600 -9.689 446 H ARG 61 H ARG 61 5.678 -4.784 -0.972 447 HA ARG 61 HA ARG 61 7.589 -6.363 -2.541 448 HB2 ARG 61 1HB ARG 61 8.600 -4.368 -1.178 449 HB3 ARG 61 2HB ARG 61 8.349 -5.429 0.202 450 HG2 ARG 61 1HG ARG 61 9.752 -6.546 -2.160 451 HG3 ARG 61 2HG ARG 61 10.619 -5.388 -1.150 452 HD2 ARG 61 1HD ARG 61 9.290 -7.917 -0.184 453 HD3 ARG 61 2HD ARG 61 11.020 -7.704 -0.447 454 HE ARG 61 HE ARG 61 9.808 -5.832 1.395 455 HH11 ARG 61 1HH1 ARG 61 11.474 -8.861 0.989 456 HH12 ARG 61 2HH1 ARG 61 12.051 -8.912 2.622 457 HH21 ARG 61 1HH2 ARG 61 10.561 -5.887 3.548 458 HH22 ARG 61 2HH2 ARG 61 11.530 -7.220 4.077 459 H THR 62 H THR 62 7.851 -8.468 -1.878 460 HA THR 62 HA THR 62 5.839 -9.896 -0.802 461 HB THR 62 HB THR 62 7.577 -11.584 -0.025 462 HG1 THR 62 1HG THR 62 9.714 -10.837 -1.132 463 HG21 THR 62 3HG2 THR 62 7.505 -10.474 -2.817 464 HG22 THR 62 1HG2 THR 62 6.711 -11.915 -2.181 465 HG23 THR 62 2HG2 THR 62 8.459 -11.902 -2.414 466 H SER 63 H SER 63 5.186 -10.655 1.203 467 HA SER 63 HA SER 63 6.036 -9.003 3.463 468 HB2 SER 63 1HB SER 63 3.982 -9.705 4.546 469 HB3 SER 63 2HB SER 63 3.609 -9.167 2.909 470 HG SER 63 HG SER 63 4.185 -11.860 3.195 471 H PHE 64 H PHE 64 7.269 -9.770 5.045 472 HA PHE 64 HA PHE 64 8.474 -11.186 6.353 473 HB2 PHE 64 1HB PHE 64 6.317 -13.196 5.677 474 HB3 PHE 64 2HB PHE 64 7.444 -13.290 7.027 475 HD1 PHE 64 2HD PHE 64 7.314 -11.526 8.827 476 HD2 PHE 64 1HD PHE 64 4.296 -12.040 5.870 477 HE1 PHE 64 2HE PHE 64 5.723 -10.292 10.241 478 HE2 PHE 64 1HE PHE 64 2.700 -10.806 7.278 479 HZ PHE 64 HZ PHE 64 3.412 -9.931 9.468 480 H SER 65 H SER 65 9.341 -10.924 3.741 481 HA SER 65 HA SER 65 10.014 -13.609 2.809 482 HB2 SER 65 1HB SER 65 9.254 -11.916 1.164 483 HB3 SER 65 2HB SER 65 10.654 -10.923 1.566 484 HG SER 65 HG SER 65 10.499 -13.278 0.096 485 H ALA 66 H ALA 66 12.280 -14.036 2.152 486 HA ALA 66 HA ALA 66 14.060 -13.349 4.321 487 HB1 ALA 66 3HB ALA 66 13.797 -15.506 2.499 488 HB2 ALA 66 1HB ALA 66 15.413 -14.825 2.309 489 HB3 ALA 66 2HB ALA 66 14.866 -15.369 3.895 490 H SER 67 H SER 67 14.217 -13.103 0.764 491 HA SER 67 HA SER 67 15.716 -10.614 1.038 492 HB2 SER 67 1HB SER 67 17.468 -11.335 -0.504 493 HB3 SER 67 2HB SER 67 17.423 -12.404 0.897 494 HG SER 67 HG SER 67 17.217 -13.066 -1.649 495 H ALA 68 H ALA 68 14.471 -9.243 -0.052 496 HA ALA 68 HA ALA 68 13.927 -9.735 -2.852 497 HB1 ALA 68 3HB ALA 68 11.441 -8.856 -2.055 498 HB2 ALA 68 1HB ALA 68 11.860 -10.503 -2.524 499 HB3 ALA 68 2HB ALA 68 11.870 -10.041 -0.821 500 H LYS 69 H LYS 69 13.255 -7.832 -3.993 501 HA LYS 69 HA LYS 69 14.103 -5.379 -2.630 502 HB2 LYS 69 1HB LYS 69 14.371 -4.445 -4.887 503 HB3 LYS 69 2HB LYS 69 15.300 -5.924 -4.684 504 HG2 LYS 69 1HG LYS 69 14.371 -6.206 -6.772 505 HG3 LYS 69 2HG LYS 69 13.235 -7.076 -5.739 506 HD2 LYS 69 1HD LYS 69 11.640 -5.364 -5.858 507 HD3 LYS 69 2HD LYS 69 12.821 -4.185 -6.436 508 HE2 LYS 69 1HE LYS 69 12.734 -4.950 -8.587 509 HE3 LYS 69 2HE LYS 69 12.331 -6.596 -8.101 510 HZ1 LYS 69 3HZ LYS 69 10.402 -4.391 -7.740 511 HZ2 LYS 69 1HZ LYS 69 10.106 -6.055 -7.828 512 HZ3 LYS 69 2HZ LYS 69 10.533 -5.197 -9.222 513 H TYR 70 H TYR 70 12.935 -3.378 -3.085 514 HA TYR 70 HA TYR 70 10.055 -3.849 -3.056 515 HB2 TYR 70 1HB TYR 70 11.858 -1.691 -2.089 516 HB3 TYR 70 2HB TYR 70 10.230 -1.223 -2.568 517 HD1 TYR 70 2HD TYR 70 12.122 -3.493 -0.321 518 HD2 TYR 70 1HD TYR 70 8.404 -1.592 -1.134 519 HE1 TYR 70 2HE TYR 70 11.274 -4.227 1.868 520 HE2 TYR 70 1HE TYR 70 7.546 -2.320 1.053 521 HH TYR 70 HH TYR 70 9.347 -3.257 3.514 522 H LYS 71 H LYS 71 8.667 -3.137 -4.582 523 HA LYS 71 HA LYS 71 9.826 -2.125 -7.056 524 HB2 LYS 71 1HB LYS 71 8.029 -4.050 -6.721 525 HB3 LYS 71 2HB LYS 71 6.911 -2.694 -6.776 526 HG2 LYS 71 1HG LYS 71 7.338 -2.247 -8.974 527 HG3 LYS 71 2HG LYS 71 8.973 -2.910 -8.906 528 HD2 LYS 71 1HD LYS 71 8.205 -5.118 -9.050 529 HD3 LYS 71 2HD LYS 71 6.556 -4.667 -8.609 530 HE2 LYS 71 1HE LYS 71 6.351 -3.451 -10.745 531 HE3 LYS 71 2HE LYS 71 7.974 -3.982 -11.183 532 HZ1 LYS 71 3HZ LYS 71 7.228 -6.262 -11.125 533 HZ2 LYS 71 1HZ LYS 71 6.244 -5.371 -12.174 534 HZ3 LYS 71 2HZ LYS 71 5.681 -5.787 -10.634 535 H SER 72 H SER 72 8.714 -0.391 -8.246 536 HA SER 72 HA SER 72 7.076 1.443 -6.726 537 HB2 SER 72 1HB SER 72 8.642 3.353 -7.016 538 HB3 SER 72 2HB SER 72 9.282 2.107 -5.945 539 HG SER 72 HG SER 72 10.158 1.360 -8.210 540 H GLU 73 H GLU 73 5.760 2.587 -8.025 541 HA GLU 73 HA GLU 73 6.458 2.895 -10.852 542 HB2 GLU 73 1HB GLU 73 4.181 1.342 -9.746 543 HB3 GLU 73 2HB GLU 73 3.852 2.345 -11.151 544 HG2 GLU 73 1HG GLU 73 4.399 0.088 -11.821 545 HG3 GLU 73 2HG GLU 73 5.632 1.216 -12.380 546 H ASP 74 H ASP 74 5.896 4.821 -11.680 547 HA ASP 74 HA ASP 74 4.602 6.728 -9.906 548 HB2 ASP 74 1HB ASP 74 5.450 8.428 -11.323 549 HB3 ASP 74 2HB ASP 74 6.727 7.218 -11.223 550 H THR 75 H THR 75 2.510 7.163 -10.007 551 HA THR 75 HA THR 75 1.136 7.131 -12.581 552 HB THR 75 HB THR 75 0.872 4.855 -11.463 553 HG1 THR 75 1HG THR 75 -1.106 6.536 -12.453 554 HG21 THR 75 3HG2 THR 75 -0.342 4.596 -9.530 555 HG22 THR 75 1HG2 THR 75 -1.202 6.121 -9.735 556 HG23 THR 75 2HG2 THR 75 0.473 6.120 -9.183 557 H THR 76 H THR 76 -0.637 8.489 -12.692 558 HA THR 76 HA THR 76 -0.814 10.451 -10.548 559 HB THR 76 HB THR 76 -2.152 11.779 -12.123 560 HG1 THR 76 1HG THR 76 -2.033 10.734 -14.394 561 HG21 THR 76 3HG2 THR 76 0.468 11.531 -12.180 562 HG22 THR 76 1HG2 THR 76 -0.375 12.468 -13.412 563 HG23 THR 76 2HG2 THR 76 0.149 10.821 -13.762 564 H SER 77 H SER 77 -2.729 7.946 -12.053 565 HA SER 77 HA SER 77 -5.247 8.685 -11.016 566 HB2 SER 77 1HB SER 77 -4.161 5.995 -11.873 567 HB3 SER 77 2HB SER 77 -5.848 6.282 -11.449 568 HG SER 77 HG SER 77 -4.953 8.112 -13.232 569 H LEU 78 H LEU 78 -6.448 7.689 -9.298 570 HA LEU 78 HA LEU 78 -4.795 7.224 -6.955 571 HB2 LEU 78 1HB LEU 78 -7.783 7.485 -7.259 572 HB3 LEU 78 2HB LEU 78 -6.930 7.333 -5.725 573 HG LEU 78 HG LEU 78 -6.409 9.610 -7.616 574 HD11 LEU 78 1HD1 LEU 78 -8.334 9.685 -5.308 575 HD12 LEU 78 2HD1 LEU 78 -8.842 9.439 -6.978 576 HD13 LEU 78 3HD1 LEU 78 -8.028 10.934 -6.515 577 HD21 LEU 78 3HD2 LEU 78 -6.110 9.476 -4.626 578 HD22 LEU 78 1HD2 LEU 78 -5.443 10.669 -5.741 579 HD23 LEU 78 2HD2 LEU 78 -4.817 9.020 -5.738 580 H SER 79 H SER 79 -4.903 5.186 -9.031 581 HA SER 79 HA SER 79 -5.404 2.921 -7.338 582 HB2 SER 79 1HB SER 79 -6.989 1.821 -8.941 583 HB3 SER 79 2HB SER 79 -7.671 3.219 -8.111 584 HG SER 79 HG SER 79 -8.169 3.666 -10.144 585 H TYR 80 H TYR 80 -3.969 1.379 -7.797 586 HA TYR 80 HA TYR 80 -2.781 1.325 -10.491 587 HB2 TYR 80 1HB TYR 80 -1.172 2.370 -9.018 588 HB3 TYR 80 2HB TYR 80 -1.348 1.074 -7.840 589 HD1 TYR 80 2HD TYR 80 -0.438 -1.177 -8.334 590 HD2 TYR 80 1HD TYR 80 0.247 2.128 -10.924 591 HE1 TYR 80 2HE TYR 80 1.405 -2.405 -9.403 592 HE2 TYR 80 1HE TYR 80 2.092 0.908 -12.002 593 HH TYR 80 HH TYR 80 2.534 -2.112 -12.023 594 H THR 81 H THR 81 -2.263 -0.679 -11.322 595 HA THR 81 HA THR 81 -3.352 -2.970 -9.828 596 HB THR 81 HB THR 81 -2.879 -2.867 -12.806 597 HG1 THR 81 1HG THR 81 -4.519 -1.521 -12.800 598 HG21 THR 81 3HG2 THR 81 -3.101 -5.102 -12.059 599 HG22 THR 81 1HG2 THR 81 -4.677 -4.658 -12.712 600 HG23 THR 81 2HG2 THR 81 -4.421 -4.686 -10.967 601 H ALA 82 H ALA 82 -1.845 -4.197 -8.920 602 HA ALA 82 HA ALA 82 0.864 -4.243 -9.958 603 HB1 ALA 82 3HB ALA 82 -0.279 -5.698 -7.578 604 HB2 ALA 82 1HB ALA 82 1.427 -5.468 -7.960 605 HB3 ALA 82 2HB ALA 82 0.424 -4.082 -7.530 606 H THR 83 H THR 83 0.869 -5.401 -11.843 607 HA THR 83 HA THR 83 -0.299 -8.081 -11.859 608 HB THR 83 HB THR 83 0.217 -8.081 -14.276 609 HG1 THR 83 1HG THR 83 2.042 -6.595 -14.069 610 HG21 THR 83 3HG2 THR 83 -1.421 -6.417 -14.938 611 HG22 THR 83 1HG2 THR 83 -1.237 -5.584 -13.395 612 HG23 THR 83 2HG2 THR 83 -1.938 -7.202 -13.446 613 H GLY 84 H GLY 84 0.906 -9.938 -12.431 614 HA2 GLY 84 1HA GLY 84 2.805 -11.246 -12.681 615 HA3 GLY 84 2HA GLY 84 3.771 -9.779 -12.723 616 H LEU 85 H LEU 85 1.579 -11.140 -10.269 617 HA LEU 85 HA LEU 85 3.777 -10.894 -8.326 618 HB2 LEU 85 1HB LEU 85 0.879 -11.133 -7.602 619 HB3 LEU 85 2HB LEU 85 2.210 -10.497 -6.637 620 HG LEU 85 HG LEU 85 1.253 -9.097 -9.116 621 HD11 LEU 85 1HD1 LEU 85 -0.109 -9.364 -6.556 622 HD12 LEU 85 2HD1 LEU 85 -0.699 -8.741 -8.096 623 HD13 LEU 85 3HD1 LEU 85 0.205 -7.688 -7.008 624 HD21 LEU 85 3HD2 LEU 85 3.478 -8.605 -7.934 625 HD22 LEU 85 1HD2 LEU 85 2.484 -7.911 -6.652 626 HD23 LEU 85 2HD2 LEU 85 2.407 -7.247 -8.284 627 H LYS 86 H LYS 86 3.447 -12.464 -6.404 628 HA LYS 86 HA LYS 86 3.346 -15.141 -7.535 629 HB2 LYS 86 1HB LYS 86 5.157 -14.229 -5.935 630 HB3 LYS 86 2HB LYS 86 3.963 -14.478 -4.667 631 HG2 LYS 86 1HG LYS 86 3.925 -16.811 -5.029 632 HG3 LYS 86 2HG LYS 86 4.819 -16.662 -6.543 633 HD2 LYS 86 1HD LYS 86 6.524 -17.297 -5.166 634 HD3 LYS 86 2HD LYS 86 6.614 -15.548 -4.943 635 HE2 LYS 86 1HE LYS 86 5.655 -15.636 -2.843 636 HE3 LYS 86 2HE LYS 86 4.859 -17.177 -3.158 637 HZ1 LYS 86 3HZ LYS 86 6.589 -18.274 -2.340 638 HZ2 LYS 86 1HZ LYS 86 7.212 -16.796 -1.801 639 HZ3 LYS 86 2HZ LYS 86 7.692 -17.420 -3.298 640 HA PRO 87 HA PRO 87 -0.748 -15.955 -6.093 641 HB2 PRO 87 1HB PRO 87 -0.676 -18.662 -6.285 642 HB3 PRO 87 2HB PRO 87 -0.811 -17.602 -7.694 643 HG2 PRO 87 1HG PRO 87 1.607 -18.966 -6.573 644 HG3 PRO 87 2HG PRO 87 1.103 -18.794 -8.264 645 HD2 PRO 87 1HD PRO 87 3.005 -17.225 -7.145 646 HD3 PRO 87 2HD PRO 87 1.915 -16.642 -8.419 647 H ASN 88 H ASN 88 -1.843 -16.804 -4.289 648 HA ASN 88 HA ASN 88 -2.059 -17.165 -2.046 649 HB2 ASN 88 1HB ASN 88 -1.164 -19.252 -1.256 650 HB3 ASN 88 2HB ASN 88 -1.615 -19.465 -2.945 651 HD21 ASN 88 1HD2 ASN 88 -0.121 -20.120 -4.358 652 HD22 ASN 88 2HD2 ASN 88 1.554 -20.337 -3.996 653 H THR 89 H THR 89 -0.121 -15.150 -2.821 654 HA THR 89 HA THR 89 1.500 -15.168 -0.371 655 HB THR 89 HB THR 89 2.593 -14.096 -2.967 656 HG1 THR 89 1HG THR 89 2.140 -16.541 -2.740 657 HG21 THR 89 3HG2 THR 89 4.531 -13.723 -1.833 658 HG22 THR 89 1HG2 THR 89 4.292 -15.096 -0.753 659 HG23 THR 89 2HG2 THR 89 3.416 -13.592 -0.473 660 H MET 90 H MET 90 1.279 -13.365 0.786 661 HA MET 90 HA MET 90 -0.045 -11.067 -0.469 662 HB2 MET 90 1HB MET 90 -1.190 -11.970 1.476 663 HB3 MET 90 2HB MET 90 0.272 -11.820 2.441 664 HG2 MET 90 1HG MET 90 0.178 -9.397 2.228 665 HG3 MET 90 2HG MET 90 -1.269 -9.535 1.233 666 HE1 MET 90 3HE MET 90 0.160 -11.170 4.324 667 HE2 MET 90 1HE MET 90 -0.006 -9.609 5.128 668 HE3 MET 90 2HE MET 90 -1.054 -10.951 5.585 669 H TYR 91 H TYR 91 0.698 -8.927 -0.038 670 HA TYR 91 HA TYR 91 3.438 -8.699 0.978 671 HB2 TYR 91 1HB TYR 91 2.883 -7.035 -1.387 672 HB3 TYR 91 2HB TYR 91 4.339 -7.920 -0.946 673 HD1 TYR 91 1HD TYR 91 3.984 -10.597 -1.055 674 HD2 TYR 91 2HD TYR 91 1.812 -7.713 -3.307 675 HE1 TYR 91 1HE TYR 91 3.453 -12.315 -2.732 676 HE2 TYR 91 2HE TYR 91 1.273 -9.424 -4.990 677 HH TYR 91 HH TYR 91 1.590 -12.671 -4.477 678 H GLU 92 H GLU 92 4.040 -6.226 0.957 679 HA GLU 92 HA GLU 92 1.819 -4.861 2.301 680 HB2 GLU 92 1HB GLU 92 3.522 -4.756 3.817 681 HB3 GLU 92 2HB GLU 92 4.770 -4.821 2.581 682 HG2 GLU 92 1HG GLU 92 4.592 -2.523 2.127 683 HG3 GLU 92 2HG GLU 92 3.068 -2.388 3.002 684 H PHE 93 H PHE 93 0.826 -3.206 1.366 685 HA PHE 93 HA PHE 93 2.127 -1.923 -0.943 686 HB2 PHE 93 1HB PHE 93 -0.816 -2.220 -0.309 687 HB3 PHE 93 2HB PHE 93 -0.168 -1.345 -1.693 688 HD1 PHE 93 2HD PHE 93 -0.229 -4.704 -0.110 689 HD2 PHE 93 1HD PHE 93 0.246 -2.450 -3.690 690 HE1 PHE 93 2HE PHE 93 -0.218 -6.789 -1.417 691 HE2 PHE 93 1HE PHE 93 0.256 -4.531 -5.003 692 HZ PHE 93 HZ PHE 93 0.026 -6.704 -3.867 693 H SER 94 H SER 94 2.055 0.320 -1.159 694 HA SER 94 HA SER 94 0.841 1.938 0.910 695 HB2 SER 94 1HB SER 94 3.252 1.102 1.610 696 HB3 SER 94 2HB SER 94 3.772 2.400 0.536 697 HG SER 94 HG SER 94 2.831 2.567 3.038 698 H VAL 95 H VAL 95 0.740 4.156 0.379 699 HA VAL 95 HA VAL 95 1.545 4.806 -2.381 700 HB VAL 95 HB VAL 95 -1.000 5.732 -1.044 701 HG11 VAL 95 1HG1 VAL 95 -0.328 5.916 -3.961 702 HG12 VAL 95 2HG1 VAL 95 -1.543 6.807 -3.042 703 HG13 VAL 95 3HG1 VAL 95 0.169 7.169 -2.825 704 HG21 VAL 95 3HG2 VAL 95 -0.901 3.273 -1.614 705 HG22 VAL 95 1HG2 VAL 95 -2.203 4.187 -2.376 706 HG23 VAL 95 2HG2 VAL 95 -0.766 3.758 -3.304 707 H MET 96 H MET 96 2.265 6.883 -2.772 708 HA MET 96 HA MET 96 2.330 8.773 -0.544 709 HB2 MET 96 1HB MET 96 4.731 9.187 -0.847 710 HB3 MET 96 2HB MET 96 4.420 7.528 -0.352 711 HG2 MET 96 1HG MET 96 4.864 6.694 -2.509 712 HG3 MET 96 2HG MET 96 4.810 8.304 -3.223 713 HE1 MET 96 3HE MET 96 7.283 9.970 -3.218 714 HE2 MET 96 1HE MET 96 6.166 10.150 -1.866 715 HE3 MET 96 2HE MET 96 7.894 9.974 -1.563 716 H VAL 97 H VAL 97 3.680 10.818 -1.467 717 HA VAL 97 HA VAL 97 2.796 11.345 -4.217 718 HB VAL 97 HB VAL 97 1.041 12.304 -2.908 719 HG11 VAL 97 1HG1 VAL 97 1.270 13.265 -0.892 720 HG12 VAL 97 2HG1 VAL 97 2.866 12.514 -0.901 721 HG13 VAL 97 3HG1 VAL 97 2.681 14.200 -1.387 722 HG21 VAL 97 3HG2 VAL 97 2.377 13.680 -4.748 723 HG22 VAL 97 1HG2 VAL 97 1.005 14.364 -3.877 724 HG23 VAL 97 2HG2 VAL 97 2.651 14.753 -3.375 725 H THR 98 H THR 98 4.105 12.689 -5.387 726 HA THR 98 HA THR 98 6.433 13.842 -3.999 727 HB THR 98 HB THR 98 6.492 12.405 -6.660 728 HG1 THR 98 1HG THR 98 6.425 11.141 -4.615 729 HG21 THR 98 3HG2 THR 98 8.476 13.344 -7.073 730 HG22 THR 98 1HG2 THR 98 9.050 13.000 -5.442 731 HG23 THR 98 2HG2 THR 98 8.130 14.470 -5.761 732 H LYS 99 H LYS 99 5.716 15.939 -4.062 733 HA LYS 99 HA LYS 99 5.430 17.114 -6.748 734 HB2 LYS 99 1HB LYS 99 3.253 17.264 -5.912 735 HB3 LYS 99 2HB LYS 99 3.802 17.578 -4.271 736 HG2 LYS 99 1HG LYS 99 4.464 19.582 -6.354 737 HG3 LYS 99 2HG LYS 99 2.790 19.476 -5.806 738 HD2 LYS 99 1HD LYS 99 4.920 19.532 -3.736 739 HD3 LYS 99 2HD LYS 99 4.578 21.032 -4.603 740 HE2 LYS 99 1HE LYS 99 2.281 20.970 -3.930 741 HE3 LYS 99 2HE LYS 99 2.473 19.357 -3.244 742 HZ1 LYS 99 3HZ LYS 99 4.364 20.886 -1.985 743 HZ2 LYS 99 1HZ LYS 99 2.891 20.373 -1.332 744 HZ3 LYS 99 2HZ LYS 99 3.008 21.893 -2.062 745 H ASN 100 H ASN 100 6.181 19.279 -6.987 746 HA ASN 100 HA ASN 100 7.588 21.038 -6.652 747 HB2 ASN 100 1HB ASN 100 6.823 20.273 -3.905 748 HB3 ASN 100 2HB ASN 100 8.327 21.180 -4.038 749 HD21 ASN 100 1HD2 ASN 100 6.446 22.389 -2.684 750 HD22 ASN 100 2HD2 ASN 100 5.694 23.653 -3.592 751 H ARG 101 H ARG 101 8.608 18.522 -7.421 752 HA ARG 101 HA ARG 101 10.555 17.365 -7.656 753 HB2 ARG 101 1HB ARG 101 11.759 19.958 -6.671 754 HB3 ARG 101 2HB ARG 101 12.625 18.676 -7.506 755 HG2 ARG 101 1HG ARG 101 11.324 19.047 -9.506 756 HG3 ARG 101 2HG ARG 101 10.347 20.259 -8.675 757 HD2 ARG 101 1HD ARG 101 13.314 20.429 -9.195 758 HD3 ARG 101 2HD ARG 101 12.060 21.291 -10.086 759 HE ARG 101 HE ARG 101 12.081 21.766 -7.236 760 HH11 ARG 101 1HH1 ARG 101 13.221 22.789 -10.362 761 HH12 ARG 101 2HH1 ARG 101 13.553 24.412 -9.855 762 HH21 ARG 101 1HH2 ARG 101 12.515 23.899 -6.556 763 HH22 ARG 101 2HH2 ARG 101 13.152 25.042 -7.689 764 H ARG 102 H ARG 102 9.205 16.948 -5.220 765 HA ARG 102 HA ARG 102 11.397 15.931 -3.629 766 HB2 ARG 102 1HB ARG 102 10.896 17.034 -1.610 767 HB3 ARG 102 2HB ARG 102 10.895 18.303 -2.828 768 HG2 ARG 102 1HG ARG 102 8.597 18.555 -2.754 769 HG3 ARG 102 2HG ARG 102 8.343 16.951 -2.065 770 HD2 ARG 102 1HD ARG 102 8.009 18.229 -0.202 771 HD3 ARG 102 2HD ARG 102 9.748 17.965 -0.076 772 HE ARG 102 HE ARG 102 8.398 20.452 -0.665 773 HH11 ARG 102 1HH1 ARG 102 11.391 18.676 -0.750 774 HH12 ARG 102 2HH1 ARG 102 12.383 20.096 -0.804 775 HH21 ARG 102 1HH2 ARG 102 9.693 22.329 -0.736 776 HH22 ARG 102 2HH2 ARG 102 11.416 22.173 -0.795 777 H SER 103 H SER 103 10.845 14.143 -2.442 778 HA SER 103 HA SER 103 8.130 13.127 -2.887 779 HB2 SER 103 1HB SER 103 8.993 10.988 -2.886 780 HB3 SER 103 2HB SER 103 10.391 11.881 -3.486 781 HG SER 103 HG SER 103 9.917 10.908 -0.873 782 H SER 104 H SER 104 6.851 12.370 -1.224 783 HA SER 104 HA SER 104 7.651 13.266 1.457 784 HB2 SER 104 1HB SER 104 5.355 13.515 1.979 785 HB3 SER 104 2HB SER 104 5.515 14.131 0.334 786 HG SER 104 HG SER 104 4.693 11.498 1.004 787 H THR 105 H THR 105 6.103 11.872 3.111 788 HA THR 105 HA THR 105 7.346 9.288 3.130 789 HB THR 105 HB THR 105 6.927 10.609 5.205 790 HG1 THR 105 1HG THR 105 5.608 8.083 5.217 791 HG21 THR 105 3HG2 THR 105 4.054 9.791 4.757 792 HG22 THR 105 1HG2 THR 105 4.682 11.433 4.624 793 HG23 THR 105 2HG2 THR 105 4.693 10.609 6.183 794 H TRP 106 H TRP 106 6.094 7.280 3.502 795 HA TRP 106 HA TRP 106 3.955 7.097 1.540 796 HB2 TRP 106 1HB TRP 106 5.411 4.957 3.107 797 HB3 TRP 106 2HB TRP 106 4.196 4.647 1.870 798 HD1 TRP 106 HD TRP 106 7.773 6.020 2.252 799 HE1 TRP 106 1HE TRP 106 8.961 5.822 -0.023 800 HE3 TRP 106 3HE TRP 106 3.824 4.457 -0.594 801 HZ2 TRP 106 2HZ TRP 106 8.311 5.100 -2.673 802 HZ3 TRP 106 3HZ TRP 106 4.192 4.035 -2.990 803 HH2 TRP 106 HH TRP 106 6.389 4.351 -4.006 804 H SER 107 H SER 107 1.875 6.421 1.960 805 HA SER 107 HA SER 107 0.829 7.058 4.529 806 HB2 SER 107 1HB SER 107 -1.340 6.354 3.577 807 HB3 SER 107 2HB SER 107 -0.475 7.445 2.494 808 HG SER 107 HG SER 107 -0.747 4.633 2.288 809 H MET 108 H MET 108 -1.036 5.301 5.225 810 HA MET 108 HA MET 108 0.316 3.331 6.640 811 HB2 MET 108 1HB MET 108 -1.904 2.354 7.079 812 HB3 MET 108 2HB MET 108 -1.897 4.099 7.290 813 HG2 MET 108 1HG MET 108 -3.881 3.660 6.162 814 HG3 MET 108 2HG MET 108 -2.781 4.221 4.905 815 HE1 MET 108 3HE MET 108 -4.559 0.199 5.731 816 HE2 MET 108 1HE MET 108 -4.842 1.778 6.464 817 HE3 MET 108 2HE MET 108 -5.590 1.378 4.918 818 H THR 109 H THR 109 0.253 1.011 6.450 819 HA THR 109 HA THR 109 0.676 0.153 3.714 820 HB THR 109 HB THR 109 1.092 -1.215 6.370 821 HG1 THR 109 1HG THR 109 2.926 -0.502 4.307 822 HG21 THR 109 3HG2 THR 109 1.156 -2.331 3.597 823 HG22 THR 109 1HG2 THR 109 0.544 -3.057 5.082 824 HG23 THR 109 2HG2 THR 109 2.283 -2.939 4.810 825 H ALA 110 H ALA 110 -0.609 -1.168 2.549 826 HA ALA 110 HA ALA 110 -3.115 -2.057 3.817 827 HB1 ALA 110 3HB ALA 110 -3.017 -0.379 1.795 828 HB2 ALA 110 1HB ALA 110 -2.847 -1.863 0.858 829 HB3 ALA 110 2HB ALA 110 -4.262 -1.624 1.883 830 H HIS 111 H HIS 111 -3.122 -4.153 4.273 831 HA HIS 111 HA HIS 111 -1.433 -5.996 2.793 832 HB2 HIS 111 1HB HIS 111 -3.129 -6.258 5.269 833 HB3 HIS 111 2HB HIS 111 -2.396 -7.658 4.493 834 HD1 HIS 111 1HD HIS 111 0.331 -6.155 3.805 835 HD2 HIS 111 2HD HIS 111 -1.519 -6.344 7.520 836 HE1 HIS 111 1HE HIS 111 2.159 -5.767 5.486 837 HE2 HIS 111 2HE HIS 111 1.032 -5.971 7.730 838 H ALA 112 H ALA 112 -2.125 -7.595 1.453 839 HA ALA 112 HA ALA 112 -4.877 -8.358 1.240 840 HB1 ALA 112 3HB ALA 112 -5.387 -7.503 -0.913 841 HB2 ALA 112 1HB ALA 112 -4.797 -6.145 0.046 842 HB3 ALA 112 2HB ALA 112 -3.742 -6.912 -1.142 843 H THR 113 H THR 113 -4.484 -10.484 1.172 844 HA THR 113 HA THR 113 -2.227 -11.607 -0.189 845 HB THR 113 HB THR 113 -4.607 -13.182 0.769 846 HG1 THR 113 1HG THR 113 -4.181 -12.387 2.685 847 HG21 THR 113 3HG2 THR 113 -2.369 -14.558 1.450 848 HG22 THR 113 1HG2 THR 113 -1.825 -13.739 -0.013 849 HG23 THR 113 2HG2 THR 113 -3.247 -14.780 -0.063 850 H THR 114 H THR 114 -2.278 -13.053 -1.968 851 HA THR 114 HA THR 114 -4.303 -12.347 -3.936 852 HB THR 114 HB THR 114 -2.819 -13.696 -5.495 853 HG1 THR 114 1HG THR 114 -0.889 -14.401 -4.743 854 HG21 THR 114 3HG2 THR 114 -1.249 -11.919 -5.779 855 HG22 THR 114 1HG2 THR 114 -1.416 -11.422 -4.096 856 HG23 THR 114 2HG2 THR 114 -2.757 -11.197 -5.219 857 H TYR 115 H TYR 115 -5.012 -14.165 -5.442 858 HA TYR 115 HA TYR 115 -6.285 -16.185 -3.834 859 HB2 TYR 115 1HB TYR 115 -6.359 -15.647 -6.808 860 HB3 TYR 115 2HB TYR 115 -7.336 -16.864 -5.994 861 HD1 TYR 115 2HD TYR 115 -8.912 -16.040 -4.128 862 HD2 TYR 115 1HD TYR 115 -7.141 -13.459 -7.009 863 HE1 TYR 115 2HE TYR 115 -10.642 -14.353 -3.671 864 HE2 TYR 115 1HE TYR 115 -8.865 -11.764 -6.560 865 HH TYR 115 HH TYR 115 -11.395 -12.318 -4.126 866 H GLU 116 H GLU 116 -5.967 -18.384 -3.892 867 HA GLU 116 HA GLU 116 -3.354 -19.310 -4.385 868 HB2 GLU 116 1HB GLU 116 -5.319 -20.237 -2.869 869 HB3 GLU 116 2HB GLU 116 -5.635 -21.230 -4.285 870 HG2 GLU 116 1HG GLU 116 -3.282 -22.009 -4.198 871 HG3 GLU 116 2HG GLU 116 -3.086 -21.113 -2.692 872 H ALA 117 H ALA 117 -2.512 -19.389 -6.368 873 HA ALA 117 HA ALA 117 -3.673 -19.433 -8.804 874 HB1 ALA 117 3HB ALA 117 -1.092 -19.941 -7.809 875 HB2 ALA 117 1HB ALA 117 -1.466 -21.252 -8.928 876 HB3 ALA 117 2HB ALA 117 -1.562 -19.576 -9.470 877 H SER 118 H SER 118 -4.127 -21.072 -10.387 878 HA SER 118 HA SER 118 -4.320 -23.823 -9.727 879 HB2 SER 118 1HB SER 118 -6.214 -22.808 -8.363 880 HB3 SER 118 2HB SER 118 -6.991 -22.423 -9.899 881 HG SER 118 HG SER 118 -6.112 -25.041 -9.331 882 H GLY 119 H GLY 119 -5.694 -25.010 -11.424 883 HA2 GLY 119 1HA GLY 119 -6.656 -24.943 -13.642 884 HA3 GLY 119 2HA GLY 119 -5.660 -23.535 -13.977 885 HA PRO 120 HA PRO 120 -3.362 -27.788 -14.597 886 HB2 PRO 120 1HB PRO 120 -4.717 -29.129 -16.530 887 HB3 PRO 120 2HB PRO 120 -5.001 -29.385 -14.804 888 HG2 PRO 120 1HG PRO 120 -6.553 -27.726 -16.753 889 HG3 PRO 120 2HG PRO 120 -7.149 -28.816 -15.488 890 HD2 PRO 120 1HD PRO 120 -7.064 -26.128 -15.174 891 HD3 PRO 120 2HD PRO 120 -6.838 -27.255 -13.821 892 H SER 121 H SER 121 -4.545 -25.240 -16.400 893 HA SER 121 HA SER 121 -3.473 -25.778 -18.960 894 HB2 SER 121 1HB SER 121 -5.125 -23.893 -18.092 895 HB3 SER 121 2HB SER 121 -3.628 -22.972 -17.947 896 HG SER 121 HG SER 121 -3.574 -24.176 -20.293 897 H SER 122 H SER 122 -1.609 -24.814 -19.959 898 HA SER 122 HA SER 122 0.507 -23.922 -18.147 899 HB2 SER 122 1HB SER 122 1.029 -26.228 -18.235 900 HB3 SER 122 2HB SER 122 0.649 -26.332 -19.954 901 HG SER 122 HG SER 122 2.932 -25.336 -18.685 902 H GLY 123 H GLY 123 2.199 -22.758 -19.171 903 HA2 GLY 123 1HA GLY 123 3.017 -22.210 -21.560 904 HA3 GLY 123 2HA GLY 123 1.372 -21.625 -21.757 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.229 -18.994 20.362 2 HA2 GLY 1 1HA GLY 1 2.351 -18.549 20.766 3 HA3 GLY 1 2HA GLY 1 2.434 -19.426 19.245 4 H SER 2 H SER 2 1.967 -16.412 20.724 5 HA SER 2 HA SER 2 0.654 -15.179 18.457 6 HB2 SER 2 1HB SER 2 1.521 -14.293 21.168 7 HB3 SER 2 2HB SER 2 1.355 -13.061 19.917 8 HG SER 2 HG SER 2 -0.630 -14.876 20.818 9 H SER 3 H SER 3 3.833 -14.964 20.038 10 HA SER 3 HA SER 3 5.892 -14.425 19.228 11 HB2 SER 3 1HB SER 3 5.115 -15.964 17.332 12 HB3 SER 3 2HB SER 3 4.743 -14.489 16.439 13 HG SER 3 HG SER 3 7.279 -14.852 17.608 14 H GLY 4 H GLY 4 4.225 -12.374 20.073 15 HA2 GLY 4 1HA GLY 4 4.702 -10.053 20.116 16 HA3 GLY 4 2HA GLY 4 5.283 -10.168 18.461 17 H SER 5 H SER 5 3.450 -8.223 19.501 18 HA SER 5 HA SER 5 0.992 -8.954 18.050 19 HB2 SER 5 1HB SER 5 0.770 -8.440 20.516 20 HB3 SER 5 2HB SER 5 1.256 -6.787 20.142 21 HG SER 5 HG SER 5 -0.716 -6.428 19.552 22 H SER 6 H SER 6 2.866 -6.043 18.918 23 HA SER 6 HA SER 6 3.094 -5.221 16.187 24 HB2 SER 6 1HB SER 6 1.011 -3.989 17.951 25 HB3 SER 6 2HB SER 6 1.859 -2.972 16.786 26 HG SER 6 HG SER 6 0.839 -3.929 15.201 27 H GLY 7 H GLY 7 3.981 -2.870 16.119 28 HA2 GLY 7 1HA GLY 7 5.123 -1.183 17.557 29 HA3 GLY 7 2HA GLY 7 5.827 -2.552 18.406 30 H PHE 8 H PHE 8 6.229 -0.322 15.913 31 HA PHE 8 HA PHE 8 8.588 -1.795 14.951 32 HB2 PHE 8 1HB PHE 8 6.782 -1.842 13.251 33 HB3 PHE 8 2HB PHE 8 6.770 -0.081 13.245 34 HD1 PHE 8 1HD PHE 8 8.875 -3.040 12.528 35 HD2 PHE 8 2HD PHE 8 8.272 1.130 11.920 36 HE1 PHE 8 1HE PHE 8 10.631 -3.040 10.804 37 HE2 PHE 8 2HE PHE 8 10.027 1.136 10.195 38 HZ PHE 8 HZ PHE 8 11.208 -0.951 9.635 39 HA PRO 9 HA PRO 9 10.639 1.903 16.289 40 HB2 PRO 9 1HB PRO 9 13.098 1.258 15.336 41 HB3 PRO 9 2HB PRO 9 12.415 0.538 16.799 42 HG2 PRO 9 1HG PRO 9 12.532 -0.568 14.020 43 HG3 PRO 9 2HG PRO 9 12.844 -1.384 15.563 44 HD2 PRO 9 1HD PRO 9 10.501 -1.637 14.229 45 HD3 PRO 9 2HD PRO 9 10.602 -1.687 16.001 46 H THR 10 H THR 10 11.339 3.824 15.398 47 HA THR 10 HA THR 10 11.684 5.446 13.834 48 HB THR 10 HB THR 10 12.083 3.381 11.693 49 HG1 THR 10 1HG THR 10 13.296 2.652 13.484 50 HG21 THR 10 3HG2 THR 10 12.361 5.476 10.770 51 HG22 THR 10 1HG2 THR 10 14.011 5.112 11.272 52 HG23 THR 10 2HG2 THR 10 13.001 6.166 12.261 53 H SER 11 H SER 11 9.085 4.775 14.371 54 HA SER 11 HA SER 11 7.542 4.185 12.067 55 HB2 SER 11 1HB SER 11 6.985 5.172 14.820 56 HB3 SER 11 2HB SER 11 5.744 5.444 13.597 57 HG SER 11 HG SER 11 6.873 2.902 13.729 58 H VAL 12 H VAL 12 5.996 5.672 11.045 59 HA VAL 12 HA VAL 12 7.134 7.762 9.727 60 HB VAL 12 HB VAL 12 4.904 8.594 9.209 61 HG11 VAL 12 1HG1 VAL 12 5.880 6.124 8.604 62 HG12 VAL 12 2HG1 VAL 12 4.285 5.731 9.247 63 HG13 VAL 12 3HG1 VAL 12 4.439 6.843 7.886 64 HG21 VAL 12 3HG2 VAL 12 4.132 6.959 11.595 65 HG22 VAL 12 1HG2 VAL 12 3.714 8.626 11.201 66 HG23 VAL 12 2HG2 VAL 12 2.961 7.297 10.320 67 HA PRO 13 HA PRO 13 7.661 11.066 12.590 68 HB2 PRO 13 1HB PRO 13 7.715 13.143 10.842 69 HB3 PRO 13 2HB PRO 13 9.054 12.002 11.020 70 HG2 PRO 13 1HG PRO 13 6.890 12.076 8.953 71 HG3 PRO 13 2HG PRO 13 8.625 11.772 8.746 72 HD2 PRO 13 1HD PRO 13 6.793 9.779 8.797 73 HD3 PRO 13 2HD PRO 13 8.447 9.572 9.408 74 H ASP 14 H ASP 14 6.739 13.514 12.681 75 HA ASP 14 HA ASP 14 3.884 13.171 13.055 76 HB2 ASP 14 1HB ASP 14 5.481 14.298 14.716 77 HB3 ASP 14 2HB ASP 14 5.459 15.677 13.621 78 H LEU 15 H LEU 15 4.548 13.116 10.371 79 HA LEU 15 HA LEU 15 4.279 14.172 8.344 80 HB2 LEU 15 1HB LEU 15 1.847 14.909 9.948 81 HB3 LEU 15 2HB LEU 15 2.001 15.304 8.237 82 HG LEU 15 HG LEU 15 2.099 12.502 9.349 83 HD11 LEU 15 1HD1 LEU 15 -0.146 12.229 8.843 84 HD12 LEU 15 2HD1 LEU 15 -0.196 13.665 7.821 85 HD13 LEU 15 3HD1 LEU 15 -0.101 13.834 9.574 86 HD21 LEU 15 3HD2 LEU 15 1.533 12.059 6.868 87 HD22 LEU 15 1HD2 LEU 15 3.198 12.443 7.306 88 HD23 LEU 15 2HD2 LEU 15 2.164 13.684 6.598 89 H SER 16 H SER 16 6.001 15.665 9.990 90 HA SER 16 HA SER 16 5.286 18.391 10.170 91 HB2 SER 16 1HB SER 16 7.167 17.311 11.421 92 HB3 SER 16 2HB SER 16 8.076 17.247 9.911 93 HG SER 16 HG SER 16 7.430 19.676 9.969 94 H THR 17 H THR 17 6.994 16.527 7.695 95 HA THR 17 HA THR 17 7.956 18.404 6.007 96 HB THR 17 HB THR 17 7.421 16.908 4.108 97 HG1 THR 17 1HG THR 17 5.799 15.670 6.078 98 HG21 THR 17 3HG2 THR 17 8.269 15.261 6.481 99 HG22 THR 17 1HG2 THR 17 9.311 16.483 5.754 100 HG23 THR 17 2HG2 THR 17 8.778 15.098 4.801 101 HA PRO 18 HA PRO 18 4.678 20.969 4.593 102 HB2 PRO 18 1HB PRO 18 5.650 21.689 2.163 103 HB3 PRO 18 2HB PRO 18 6.305 22.312 3.682 104 HG2 PRO 18 1HG PRO 18 7.333 20.105 1.940 105 HG3 PRO 18 2HG PRO 18 8.232 21.399 2.754 106 HD2 PRO 18 1HD PRO 18 8.096 18.878 3.734 107 HD3 PRO 18 2HD PRO 18 8.212 20.306 4.784 108 H MET 19 H MET 19 5.162 17.933 3.481 109 HA MET 19 HA MET 19 3.090 18.156 1.400 110 HB2 MET 19 1HB MET 19 5.140 15.972 1.813 111 HB3 MET 19 2HB MET 19 3.926 16.006 0.540 112 HG2 MET 19 1HG MET 19 5.876 18.249 0.823 113 HG3 MET 19 2HG MET 19 6.345 16.750 0.024 114 HE1 MET 19 3HE MET 19 3.182 16.374 -2.103 115 HE2 MET 19 1HE MET 19 4.727 16.301 -2.951 116 HE3 MET 19 2HE MET 19 4.568 15.589 -1.345 117 H LEU 20 H LEU 20 1.925 15.874 1.204 118 HA LEU 20 HA LEU 20 1.414 14.583 3.726 119 HB2 LEU 20 1HB LEU 20 0.027 16.820 3.474 120 HB3 LEU 20 2HB LEU 20 -1.009 15.788 2.491 121 HG LEU 20 HG LEU 20 -1.749 16.031 4.853 122 HD11 LEU 20 1HD1 LEU 20 -1.610 13.733 3.256 123 HD12 LEU 20 2HD1 LEU 20 -2.738 14.069 4.569 124 HD13 LEU 20 3HD1 LEU 20 -1.233 13.211 4.898 125 HD21 LEU 20 3HD2 LEU 20 0.485 14.216 5.651 126 HD22 LEU 20 1HD2 LEU 20 -0.530 15.256 6.650 127 HD23 LEU 20 2HD2 LEU 20 0.732 15.963 5.641 128 HA PRO 21 HA PRO 21 0.819 11.495 0.547 129 HB2 PRO 21 1HB PRO 21 0.679 9.395 2.261 130 HB3 PRO 21 2HB PRO 21 2.206 10.153 1.793 131 HG2 PRO 21 1HG PRO 21 0.576 10.548 4.273 132 HG3 PRO 21 2HG PRO 21 2.333 10.377 4.104 133 HD2 PRO 21 1HD PRO 21 1.126 12.780 4.426 134 HD3 PRO 21 2HD PRO 21 2.612 12.578 3.476 135 HA PRO 22 HA PRO 22 -3.489 10.615 0.487 136 HB2 PRO 22 1HB PRO 22 -3.599 8.034 -0.347 137 HB3 PRO 22 2HB PRO 22 -3.138 9.368 -1.411 138 HG2 PRO 22 1HG PRO 22 -1.396 7.412 0.039 139 HG3 PRO 22 2HG PRO 22 -1.262 8.012 -1.625 140 HD2 PRO 22 1HD PRO 22 0.264 8.970 0.397 141 HD3 PRO 22 2HD PRO 22 -0.256 9.979 -0.968 142 H VAL 23 H VAL 23 -5.161 8.842 1.156 143 HA VAL 23 HA VAL 23 -4.381 7.517 3.648 144 HB VAL 23 HB VAL 23 -6.381 8.358 4.811 145 HG11 VAL 23 1HG1 VAL 23 -5.562 10.627 5.237 146 HG12 VAL 23 2HG1 VAL 23 -4.237 9.464 5.159 147 HG13 VAL 23 3HG1 VAL 23 -4.555 10.533 3.793 148 HG21 VAL 23 3HG2 VAL 23 -6.697 10.443 2.685 149 HG22 VAL 23 1HG2 VAL 23 -7.527 8.893 2.553 150 HG23 VAL 23 2HG2 VAL 23 -7.835 9.943 3.936 151 H GLY 24 H GLY 24 -6.608 6.430 4.519 152 HA2 GLY 24 1HA GLY 24 -7.880 4.539 4.148 153 HA3 GLY 24 2HA GLY 24 -8.622 5.553 2.919 154 H VAL 25 H VAL 25 -5.436 3.978 3.165 155 HA VAL 25 HA VAL 25 -5.434 3.262 0.408 156 HB VAL 25 HB VAL 25 -3.670 2.143 2.588 157 HG11 VAL 25 1HG1 VAL 25 -3.800 1.820 -0.299 158 HG12 VAL 25 2HG1 VAL 25 -2.215 2.361 0.256 159 HG13 VAL 25 3HG1 VAL 25 -2.921 0.881 0.907 160 HG21 VAL 25 3HG2 VAL 25 -3.905 4.810 1.827 161 HG22 VAL 25 1HG2 VAL 25 -2.574 4.076 2.722 162 HG23 VAL 25 2HG2 VAL 25 -2.484 4.221 0.966 163 H GLN 26 H GLN 26 -6.448 1.618 -0.516 164 HA GLN 26 HA GLN 26 -7.019 -0.776 1.103 165 HB2 GLN 26 1HB GLN 26 -9.094 0.399 0.737 166 HB3 GLN 26 2HB GLN 26 -8.760 0.542 -0.984 167 HG2 GLN 26 1HG GLN 26 -9.101 -1.760 -1.345 168 HG3 GLN 26 2HG GLN 26 -9.063 -2.112 0.382 169 HE21 GLN 26 1HE2 GLN 26 -10.898 -0.462 -2.130 170 HE22 GLN 26 2HE2 GLN 26 -12.436 -0.608 -1.358 171 H ALA 27 H ALA 27 -6.174 -2.596 0.342 172 HA ALA 27 HA ALA 27 -5.160 -2.621 -2.414 173 HB1 ALA 27 3HB ALA 27 -3.433 -3.045 -0.836 174 HB2 ALA 27 1HB ALA 27 -4.411 -4.247 0.007 175 HB3 ALA 27 2HB ALA 27 -3.809 -4.581 -1.618 176 H VAL 28 H VAL 28 -6.794 -3.325 -3.688 177 HA VAL 28 HA VAL 28 -8.449 -5.567 -2.863 178 HB VAL 28 HB VAL 28 -8.508 -4.039 -5.468 179 HG11 VAL 28 1HG1 VAL 28 -11.007 -5.174 -4.631 180 HG12 VAL 28 2HG1 VAL 28 -10.098 -5.448 -6.119 181 HG13 VAL 28 3HG1 VAL 28 -9.765 -6.425 -4.688 182 HG21 VAL 28 3HG2 VAL 28 -9.030 -2.963 -3.032 183 HG22 VAL 28 1HG2 VAL 28 -9.788 -2.441 -4.537 184 HG23 VAL 28 2HG2 VAL 28 -10.621 -3.579 -3.478 185 H ALA 29 H ALA 29 -8.309 -7.606 -3.616 186 HA ALA 29 HA ALA 29 -6.039 -8.231 -5.360 187 HB1 ALA 29 3HB ALA 29 -7.610 -9.813 -3.363 188 HB2 ALA 29 1HB ALA 29 -6.639 -10.626 -4.591 189 HB3 ALA 29 2HB ALA 29 -5.871 -9.527 -3.445 190 H LEU 30 H LEU 30 -6.522 -8.302 -7.456 191 HA LEU 30 HA LEU 30 -9.173 -8.953 -8.384 192 HB2 LEU 30 1HB LEU 30 -6.669 -8.541 -10.006 193 HB3 LEU 30 2HB LEU 30 -8.333 -8.478 -10.584 194 HG LEU 30 HG LEU 30 -7.277 -6.531 -8.551 195 HD11 LEU 30 1HD1 LEU 30 -7.470 -5.801 -11.426 196 HD12 LEU 30 2HD1 LEU 30 -6.045 -6.681 -10.875 197 HD13 LEU 30 3HD1 LEU 30 -6.455 -5.126 -10.151 198 HD21 LEU 30 3HD2 LEU 30 -9.347 -5.736 -8.605 199 HD22 LEU 30 1HD2 LEU 30 -9.812 -7.050 -9.685 200 HD23 LEU 30 2HD2 LEU 30 -9.243 -5.520 -10.353 201 H THR 31 H THR 31 -5.931 -10.360 -8.850 202 HA THR 31 HA THR 31 -7.117 -13.018 -8.926 203 HB THR 31 HB THR 31 -6.949 -12.026 -11.315 204 HG1 THR 31 1HG THR 31 -7.190 -14.313 -10.674 205 HG21 THR 31 3HG2 THR 31 -4.303 -11.661 -10.528 206 HG22 THR 31 1HG2 THR 31 -4.945 -11.521 -12.164 207 HG23 THR 31 2HG2 THR 31 -4.258 -13.049 -11.614 208 H HIS 32 H HIS 32 -5.225 -14.676 -9.294 209 HA HIS 32 HA HIS 32 -3.570 -14.649 -7.113 210 HB2 HIS 32 1HB HIS 32 -2.169 -16.321 -8.345 211 HB3 HIS 32 2HB HIS 32 -3.894 -16.676 -8.365 212 HD1 HIS 32 1HD HIS 32 -5.145 -15.886 -10.667 213 HD2 HIS 32 2HD HIS 32 -1.014 -16.313 -10.799 214 HE1 HIS 32 1HE HIS 32 -4.565 -16.064 -13.107 215 HE2 HIS 32 2HE HIS 32 -2.071 -16.407 -13.159 216 H ASP 33 H ASP 33 -2.835 -13.468 -10.372 217 HA ASP 33 HA ASP 33 -0.402 -12.210 -9.286 218 HB2 ASP 33 1HB ASP 33 -0.995 -12.992 -12.148 219 HB3 ASP 33 2HB ASP 33 0.490 -12.239 -11.574 220 H ALA 34 H ALA 34 -2.868 -10.980 -8.916 221 HA ALA 34 HA ALA 34 -2.405 -8.486 -10.308 222 HB1 ALA 34 3HB ALA 34 -5.098 -9.818 -10.547 223 HB2 ALA 34 1HB ALA 34 -4.622 -8.257 -11.215 224 HB3 ALA 34 2HB ALA 34 -3.897 -9.740 -11.836 225 H VAL 35 H VAL 35 -3.088 -6.723 -9.160 226 HA VAL 35 HA VAL 35 -4.928 -7.024 -6.942 227 HB VAL 35 HB VAL 35 -2.001 -6.502 -6.538 228 HG11 VAL 35 1HG1 VAL 35 -3.013 -5.910 -4.110 229 HG12 VAL 35 2HG1 VAL 35 -2.584 -4.696 -5.316 230 HG13 VAL 35 3HG1 VAL 35 -4.260 -5.219 -5.147 231 HG21 VAL 35 3HG2 VAL 35 -2.741 -7.924 -4.430 232 HG22 VAL 35 1HG2 VAL 35 -4.056 -8.387 -5.511 233 HG23 VAL 35 2HG2 VAL 35 -2.382 -8.684 -5.981 234 H ARG 36 H ARG 36 -6.218 -5.318 -7.032 235 HA ARG 36 HA ARG 36 -5.283 -2.872 -8.324 236 HB2 ARG 36 1HB ARG 36 -7.365 -3.596 -9.180 237 HB3 ARG 36 2HB ARG 36 -8.006 -3.912 -7.573 238 HG2 ARG 36 1HG ARG 36 -9.074 -1.957 -8.256 239 HG3 ARG 36 2HG ARG 36 -7.789 -1.400 -7.182 240 HD2 ARG 36 1HD ARG 36 -6.624 -0.417 -8.862 241 HD3 ARG 36 2HD ARG 36 -7.114 -1.624 -10.051 242 HE ARG 36 HE ARG 36 -8.491 0.836 -9.385 243 HH11 ARG 36 1HH1 ARG 36 -8.651 -2.277 -10.937 244 HH12 ARG 36 2HH1 ARG 36 -9.974 -1.841 -11.967 245 HH21 ARG 36 1HH2 ARG 36 -10.233 1.422 -10.736 246 HH22 ARG 36 2HH2 ARG 36 -10.873 0.264 -11.853 247 H VAL 37 H VAL 37 -4.045 -1.842 -6.795 248 HA VAL 37 HA VAL 37 -5.061 -1.437 -4.111 249 HB VAL 37 HB VAL 37 -2.548 -0.395 -5.427 250 HG11 VAL 37 1HG1 VAL 37 -3.534 0.910 -3.453 251 HG12 VAL 37 2HG1 VAL 37 -3.086 -0.490 -2.477 252 HG13 VAL 37 3HG1 VAL 37 -1.846 0.411 -3.349 253 HG21 VAL 37 3HG2 VAL 37 -2.096 -2.271 -3.321 254 HG22 VAL 37 1HG2 VAL 37 -3.214 -2.971 -4.491 255 HG23 VAL 37 2HG2 VAL 37 -1.639 -2.380 -5.021 256 H SER 38 H SER 38 -6.669 0.001 -3.932 257 HA SER 38 HA SER 38 -6.392 2.575 -5.338 258 HB2 SER 38 1HB SER 38 -8.417 1.868 -6.136 259 HB3 SER 38 2HB SER 38 -8.737 0.854 -4.729 260 HG SER 38 HG SER 38 -10.086 2.474 -4.371 261 H TRP 39 H TRP 39 -7.030 4.492 -4.210 262 HA TRP 39 HA TRP 39 -7.372 4.314 -1.328 263 HB2 TRP 39 1HB TRP 39 -5.495 5.873 -0.888 264 HB3 TRP 39 2HB TRP 39 -4.952 4.329 -1.539 265 HD1 TRP 39 HD TRP 39 -5.110 8.038 -2.367 266 HE1 TRP 39 1HE TRP 39 -3.687 8.488 -4.464 267 HE3 TRP 39 3HE TRP 39 -4.127 3.210 -3.731 268 HZ2 TRP 39 2HZ TRP 39 -2.328 6.993 -6.436 269 HZ3 TRP 39 3HZ TRP 39 -2.758 2.806 -5.736 270 HH2 TRP 39 HH TRP 39 -1.879 4.660 -7.059 271 H ALA 40 H ALA 40 -7.179 6.839 -0.538 272 HA ALA 40 HA ALA 40 -8.839 8.401 -2.403 273 HB1 ALA 40 3HB ALA 40 -10.083 9.254 -0.418 274 HB2 ALA 40 1HB ALA 40 -10.329 7.538 -0.743 275 HB3 ALA 40 2HB ALA 40 -9.253 8.043 0.560 276 H ASP 41 H ASP 41 -8.750 10.713 -2.105 277 HA ASP 41 HA ASP 41 -6.209 11.586 -0.896 278 HB2 ASP 41 1HB ASP 41 -6.389 11.775 -3.396 279 HB3 ASP 41 2HB ASP 41 -7.697 12.931 -3.158 280 H ASN 42 H ASN 42 -6.307 12.983 0.735 281 HA ASN 42 HA ASN 42 -8.848 14.400 1.197 282 HB2 ASN 42 1HB ASN 42 -6.934 13.050 3.039 283 HB3 ASN 42 2HB ASN 42 -7.755 14.492 3.627 284 HD21 ASN 42 1HD2 ASN 42 -8.743 11.759 1.591 285 HD22 ASN 42 2HD2 ASN 42 -10.122 11.332 2.540 286 H SER 43 H SER 43 -5.328 14.657 1.627 287 HA SER 43 HA SER 43 -4.928 17.139 2.534 288 HB2 SER 43 1HB SER 43 -3.077 15.731 1.810 289 HB3 SER 43 2HB SER 43 -3.544 15.939 0.122 290 HG SER 43 HG SER 43 -2.036 17.456 0.364 291 H VAL 44 H VAL 44 -6.288 16.350 -0.583 292 HA VAL 44 HA VAL 44 -6.049 18.751 -1.936 293 HB VAL 44 HB VAL 44 -6.972 16.759 -2.992 294 HG11 VAL 44 1HG1 VAL 44 -8.904 15.702 -2.385 295 HG12 VAL 44 2HG1 VAL 44 -8.397 16.316 -0.810 296 HG13 VAL 44 3HG1 VAL 44 -9.634 17.169 -1.735 297 HG21 VAL 44 3HG2 VAL 44 -8.171 17.945 -4.483 298 HG22 VAL 44 1HG2 VAL 44 -9.293 18.541 -3.260 299 HG23 VAL 44 2HG2 VAL 44 -7.725 19.319 -3.472 300 HA PRO 45 HA PRO 45 -8.349 21.461 0.757 301 HB2 PRO 45 1HB PRO 45 -8.032 23.686 -0.766 302 HB3 PRO 45 2HB PRO 45 -6.755 23.043 0.274 303 HG2 PRO 45 1HG PRO 45 -7.139 22.717 -2.677 304 HG3 PRO 45 2HG PRO 45 -5.650 23.045 -1.772 305 HD2 PRO 45 1HD PRO 45 -6.291 20.574 -2.674 306 HD3 PRO 45 2HD PRO 45 -5.376 20.836 -1.176 307 H LYS 46 H LYS 46 -10.445 22.066 0.832 308 HA LYS 46 HA LYS 46 -12.248 21.251 -1.164 309 HB2 LYS 46 1HB LYS 46 -13.954 22.423 0.165 310 HB3 LYS 46 2HB LYS 46 -12.908 21.433 1.174 311 HG2 LYS 46 1HG LYS 46 -11.671 23.399 1.867 312 HG3 LYS 46 2HG LYS 46 -12.651 24.412 0.804 313 HD2 LYS 46 1HD LYS 46 -14.543 24.192 2.131 314 HD3 LYS 46 2HD LYS 46 -13.957 22.712 2.895 315 HE2 LYS 46 1HE LYS 46 -13.644 24.233 4.588 316 HE3 LYS 46 2HE LYS 46 -12.070 24.285 3.797 317 HZ1 LYS 46 3HZ LYS 46 -12.877 26.238 2.539 318 HZ2 LYS 46 1HZ LYS 46 -12.801 26.505 4.208 319 HZ3 LYS 46 2HZ LYS 46 -14.293 26.223 3.464 320 H ASN 47 H ASN 47 -11.034 24.470 -0.289 321 HA ASN 47 HA ASN 47 -12.363 25.605 -2.636 322 HB2 ASN 47 1HB ASN 47 -11.500 27.794 -1.636 323 HB3 ASN 47 2HB ASN 47 -12.733 26.937 -0.717 324 HD21 ASN 47 1HD2 ASN 47 -9.667 28.311 -0.657 325 HD22 ASN 47 2HD2 ASN 47 -9.162 27.736 0.892 326 H GLN 48 H GLN 48 -10.327 23.888 -3.294 327 HA GLN 48 HA GLN 48 -7.758 24.661 -3.528 328 HB2 GLN 48 1HB GLN 48 -8.859 22.628 -4.561 329 HB3 GLN 48 2HB GLN 48 -9.310 23.659 -5.913 330 HG2 GLN 48 1HG GLN 48 -6.457 23.572 -5.090 331 HG3 GLN 48 2HG GLN 48 -7.129 22.196 -5.962 332 HE21 GLN 48 1HE2 GLN 48 -6.321 22.368 -7.943 333 HE22 GLN 48 2HE2 GLN 48 -6.430 23.766 -8.952 334 H LYS 49 H LYS 49 -6.717 26.410 -4.193 335 HA LYS 49 HA LYS 49 -8.103 28.273 -5.995 336 HB2 LYS 49 1HB LYS 49 -5.950 28.653 -3.927 337 HB3 LYS 49 2HB LYS 49 -6.268 29.873 -5.153 338 HG2 LYS 49 1HG LYS 49 -8.407 28.822 -3.326 339 HG3 LYS 49 2HG LYS 49 -7.387 30.202 -2.915 340 HD2 LYS 49 1HD LYS 49 -8.838 30.144 -5.529 341 HD3 LYS 49 2HD LYS 49 -9.700 30.588 -4.054 342 HE2 LYS 49 1HE LYS 49 -7.091 31.894 -4.694 343 HE3 LYS 49 2HE LYS 49 -8.554 32.424 -5.522 344 HZ1 LYS 49 3HZ LYS 49 -9.529 32.617 -3.191 345 HZ2 LYS 49 1HZ LYS 49 -8.408 33.792 -3.666 346 HZ3 LYS 49 2HZ LYS 49 -7.932 32.537 -2.637 347 H THR 50 H THR 50 -4.785 27.143 -5.323 348 HA THR 50 HA THR 50 -4.047 27.740 -8.087 349 HB THR 50 HB THR 50 -1.724 27.113 -7.297 350 HG1 THR 50 1HG THR 50 -2.804 27.371 -4.688 351 HG21 THR 50 3HG2 THR 50 -1.914 29.216 -5.538 352 HG22 THR 50 1HG2 THR 50 -3.328 29.444 -6.567 353 HG23 THR 50 2HG2 THR 50 -1.719 29.357 -7.285 354 H SER 51 H SER 51 -3.801 26.227 -9.605 355 HA SER 51 HA SER 51 -4.442 23.491 -8.995 356 HB2 SER 51 1HB SER 51 -5.114 24.779 -11.107 357 HB3 SER 51 2HB SER 51 -3.457 24.522 -11.654 358 HG SER 51 HG SER 51 -3.883 22.479 -12.001 359 H GLU 52 H GLU 52 -2.644 23.034 -7.577 360 HA GLU 52 HA GLU 52 0.021 22.988 -8.691 361 HB2 GLU 52 1HB GLU 52 0.616 21.931 -6.499 362 HB3 GLU 52 2HB GLU 52 -0.151 23.507 -6.362 363 HG2 GLU 52 1HG GLU 52 -1.880 21.100 -6.236 364 HG3 GLU 52 2HG GLU 52 -0.860 21.470 -4.847 365 H VAL 53 H VAL 53 1.090 21.275 -9.510 366 HA VAL 53 HA VAL 53 -0.450 18.863 -10.032 367 HB VAL 53 HB VAL 53 0.923 20.049 -11.804 368 HG11 VAL 53 1HG1 VAL 53 2.930 20.553 -10.661 369 HG12 VAL 53 2HG1 VAL 53 3.147 18.878 -10.150 370 HG13 VAL 53 3HG1 VAL 53 3.344 19.317 -11.848 371 HG21 VAL 53 3HG2 VAL 53 0.178 17.489 -11.595 372 HG22 VAL 53 1HG2 VAL 53 1.080 18.115 -12.976 373 HG23 VAL 53 2HG2 VAL 53 1.926 17.268 -11.681 374 H ARG 54 H ARG 54 0.778 16.741 -9.924 375 HA ARG 54 HA ARG 54 2.928 16.377 -8.148 376 HB2 ARG 54 1HB ARG 54 1.685 15.322 -6.262 377 HB3 ARG 54 2HB ARG 54 1.424 17.055 -6.398 378 HG2 ARG 54 1HG ARG 54 -0.505 15.254 -7.751 379 HG3 ARG 54 2HG ARG 54 -0.563 15.367 -5.991 380 HD2 ARG 54 1HD ARG 54 -0.581 17.899 -6.335 381 HD3 ARG 54 2HD ARG 54 -0.944 17.545 -8.024 382 HE ARG 54 HE ARG 54 -2.713 17.245 -5.759 383 HH11 ARG 54 1HH1 ARG 54 -2.060 16.388 -9.069 384 HH12 ARG 54 2HH1 ARG 54 -3.707 15.985 -9.426 385 HH21 ARG 54 1HH2 ARG 54 -4.884 16.718 -6.217 386 HH22 ARG 54 2HH2 ARG 54 -5.313 16.174 -7.803 387 H LEU 55 H LEU 55 3.046 13.991 -7.422 388 HA LEU 55 HA LEU 55 1.712 12.233 -9.355 389 HB2 LEU 55 1HB LEU 55 3.760 12.540 -10.425 390 HB3 LEU 55 2HB LEU 55 4.655 12.555 -8.906 391 HG LEU 55 HG LEU 55 3.734 10.029 -8.866 392 HD11 LEU 55 1HD1 LEU 55 4.503 10.022 -11.679 393 HD12 LEU 55 2HD1 LEU 55 2.957 10.813 -11.373 394 HD13 LEU 55 3HD1 LEU 55 3.214 9.148 -10.850 395 HD21 LEU 55 3HD2 LEU 55 5.955 9.404 -9.846 396 HD22 LEU 55 1HD2 LEU 55 6.026 10.574 -8.528 397 HD23 LEU 55 2HD2 LEU 55 6.208 11.114 -10.197 398 H TYR 56 H TYR 56 1.424 10.100 -8.680 399 HA TYR 56 HA TYR 56 1.912 9.655 -5.809 400 HB2 TYR 56 1HB TYR 56 -0.346 8.847 -7.616 401 HB3 TYR 56 2HB TYR 56 -0.013 7.936 -6.148 402 HD1 TYR 56 1HD TYR 56 0.215 11.607 -6.720 403 HD2 TYR 56 2HD TYR 56 -1.813 8.430 -4.747 404 HE1 TYR 56 1HE TYR 56 -1.075 13.247 -5.417 405 HE2 TYR 56 2HE TYR 56 -3.109 10.061 -3.440 406 HH TYR 56 HH TYR 56 -2.353 13.000 -2.898 407 H THR 57 H THR 57 3.248 8.070 -5.264 408 HA THR 57 HA THR 57 4.006 6.107 -7.319 409 HB THR 57 HB THR 57 5.529 6.766 -4.794 410 HG1 THR 57 1HG THR 57 6.113 7.687 -7.422 411 HG21 THR 57 3HG2 THR 57 5.980 4.567 -5.859 412 HG22 THR 57 1HG2 THR 57 7.375 5.645 -5.877 413 HG23 THR 57 2HG2 THR 57 6.421 5.413 -7.342 414 H VAL 58 H VAL 58 4.158 3.906 -6.806 415 HA VAL 58 HA VAL 58 2.933 3.083 -4.260 416 HB VAL 58 HB VAL 58 2.320 1.772 -6.908 417 HG11 VAL 58 1HG1 VAL 58 1.046 0.280 -5.778 418 HG12 VAL 58 2HG1 VAL 58 2.174 0.661 -4.475 419 HG13 VAL 58 3HG1 VAL 58 0.594 1.443 -4.533 420 HG21 VAL 58 3HG2 VAL 58 0.704 3.251 -7.294 421 HG22 VAL 58 1HG2 VAL 58 0.067 3.052 -5.662 422 HG23 VAL 58 2HG2 VAL 58 1.347 4.224 -5.972 423 H ARG 59 H ARG 59 4.318 1.856 -3.182 424 HA ARG 59 HA ARG 59 6.159 0.134 -4.708 425 HB2 ARG 59 1HB ARG 59 7.792 0.400 -3.009 426 HB3 ARG 59 2HB ARG 59 7.169 2.011 -3.340 427 HG2 ARG 59 1HG ARG 59 6.133 2.181 -1.312 428 HG3 ARG 59 2HG ARG 59 5.921 0.437 -1.151 429 HD2 ARG 59 1HD ARG 59 7.564 0.925 0.421 430 HD3 ARG 59 2HD ARG 59 8.487 0.360 -0.970 431 HE ARG 59 HE ARG 59 8.339 3.094 0.036 432 HH11 ARG 59 1HH1 ARG 59 9.499 0.863 -2.371 433 HH12 ARG 59 2HH1 ARG 59 10.725 1.934 -2.962 434 HH21 ARG 59 1HH2 ARG 59 9.949 4.514 -0.733 435 HH22 ARG 59 2HH2 ARG 59 10.981 4.011 -2.029 436 H TRP 60 H TRP 60 6.447 -1.987 -4.071 437 HA TRP 60 HA TRP 60 5.071 -3.011 -1.738 438 HB2 TRP 60 1HB TRP 60 3.722 -4.634 -2.983 439 HB3 TRP 60 2HB TRP 60 3.285 -2.986 -3.426 440 HD1 TRP 60 HD TRP 60 4.767 -6.177 -4.856 441 HE1 TRP 60 1HE TRP 60 4.981 -5.932 -7.410 442 HE3 TRP 60 3HE TRP 60 3.670 -1.202 -5.289 443 HZ2 TRP 60 2HZ TRP 60 4.719 -3.899 -9.350 444 HZ3 TRP 60 3HZ TRP 60 3.674 -0.184 -7.529 445 HH2 TRP 60 HH TRP 60 4.188 -1.506 -9.516 446 H ARG 61 H ARG 61 5.604 -5.240 -1.279 447 HA ARG 61 HA ARG 61 7.413 -6.739 -2.849 448 HB2 ARG 61 1HB ARG 61 9.464 -6.466 -1.690 449 HB3 ARG 61 2HB ARG 61 8.892 -4.844 -2.056 450 HG2 ARG 61 1HG ARG 61 9.433 -4.488 0.099 451 HG3 ARG 61 2HG ARG 61 7.820 -5.147 0.378 452 HD2 ARG 61 1HD ARG 61 9.126 -7.435 0.371 453 HD3 ARG 61 2HD ARG 61 10.489 -6.399 0.794 454 HE ARG 61 HE ARG 61 8.121 -6.009 2.401 455 HH11 ARG 61 1HH1 ARG 61 11.135 -7.714 2.038 456 HH12 ARG 61 2HH1 ARG 61 11.276 -8.088 3.724 457 HH21 ARG 61 1HH2 ARG 61 8.296 -6.495 4.622 458 HH22 ARG 61 2HH2 ARG 61 9.661 -7.395 5.193 459 H THR 62 H THR 62 7.940 -8.760 -1.905 460 HA THR 62 HA THR 62 6.090 -10.127 -0.561 461 HB THR 62 HB THR 62 8.029 -11.480 0.513 462 HG1 THR 62 1HG THR 62 9.975 -10.711 0.209 463 HG21 THR 62 3HG2 THR 62 6.767 -11.796 -1.755 464 HG22 THR 62 1HG2 THR 62 8.246 -12.702 -1.438 465 HG23 THR 62 2HG2 THR 62 8.293 -11.263 -2.457 466 H SER 63 H SER 63 5.271 -10.349 1.446 467 HA SER 63 HA SER 63 6.216 -8.477 3.482 468 HB2 SER 63 1HB SER 63 3.882 -8.286 3.161 469 HB3 SER 63 2HB SER 63 3.660 -10.035 3.125 470 HG SER 63 HG SER 63 3.011 -9.155 5.123 471 H PHE 64 H PHE 64 7.462 -9.130 5.094 472 HA PHE 64 HA PHE 64 8.396 -10.418 6.727 473 HB2 PHE 64 1HB PHE 64 6.347 -12.542 6.094 474 HB3 PHE 64 2HB PHE 64 7.230 -12.310 7.599 475 HD1 PHE 64 2HD PHE 64 6.909 -9.696 8.446 476 HD2 PHE 64 1HD PHE 64 4.123 -12.053 6.256 477 HE1 PHE 64 2HE PHE 64 5.065 -8.318 9.316 478 HE2 PHE 64 1HE PHE 64 2.275 -10.679 7.121 479 HZ PHE 64 HZ PHE 64 2.744 -8.810 8.654 480 H SER 65 H SER 65 9.574 -10.413 4.275 481 HA SER 65 HA SER 65 10.674 -13.129 4.136 482 HB2 SER 65 1HB SER 65 9.430 -11.566 1.930 483 HB3 SER 65 2HB SER 65 10.887 -12.484 1.547 484 HG SER 65 HG SER 65 8.635 -13.507 1.436 485 H ALA 66 H ALA 66 12.853 -13.258 3.618 486 HA ALA 66 HA ALA 66 14.309 -10.723 3.856 487 HB1 ALA 66 3HB ALA 66 14.677 -12.739 5.421 488 HB2 ALA 66 1HB ALA 66 15.576 -13.428 4.069 489 HB3 ALA 66 2HB ALA 66 16.088 -11.897 4.781 490 H SER 67 H SER 67 16.234 -10.392 2.562 491 HA SER 67 HA SER 67 17.317 -10.215 0.570 492 HB2 SER 67 1HB SER 67 17.637 -12.726 1.145 493 HB3 SER 67 2HB SER 67 16.442 -13.009 -0.120 494 HG SER 67 HG SER 67 18.033 -11.422 -1.278 495 H ALA 68 H ALA 68 14.974 -8.995 0.479 496 HA ALA 68 HA ALA 68 13.932 -9.667 -2.191 497 HB1 ALA 68 3HB ALA 68 11.710 -8.733 -1.318 498 HB2 ALA 68 1HB ALA 68 12.178 -10.357 -0.815 499 HB3 ALA 68 2HB ALA 68 12.385 -8.997 0.290 500 H LYS 69 H LYS 69 13.051 -7.859 -3.377 501 HA LYS 69 HA LYS 69 14.322 -5.319 -2.608 502 HB2 LYS 69 1HB LYS 69 14.367 -4.754 -4.961 503 HB3 LYS 69 2HB LYS 69 15.107 -6.332 -4.727 504 HG2 LYS 69 1HG LYS 69 13.814 -6.785 -6.538 505 HG3 LYS 69 2HG LYS 69 12.660 -7.168 -5.258 506 HD2 LYS 69 1HD LYS 69 11.357 -5.817 -6.563 507 HD3 LYS 69 2HD LYS 69 12.077 -4.601 -5.506 508 HE2 LYS 69 1HE LYS 69 13.264 -5.371 -8.161 509 HE3 LYS 69 2HE LYS 69 12.076 -4.080 -7.984 510 HZ1 LYS 69 3HZ LYS 69 14.246 -3.129 -7.938 511 HZ2 LYS 69 1HZ LYS 69 14.769 -4.207 -6.744 512 HZ3 LYS 69 2HZ LYS 69 13.613 -3.030 -6.373 513 H TYR 70 H TYR 70 13.185 -3.365 -2.867 514 HA TYR 70 HA TYR 70 10.290 -3.674 -2.621 515 HB2 TYR 70 1HB TYR 70 12.287 -1.701 -1.693 516 HB3 TYR 70 2HB TYR 70 10.721 -1.041 -2.150 517 HD1 TYR 70 1HD TYR 70 8.721 -1.585 -0.878 518 HD2 TYR 70 2HD TYR 70 12.511 -3.171 0.228 519 HE1 TYR 70 1HE TYR 70 7.804 -2.236 1.309 520 HE2 TYR 70 2HE TYR 70 11.605 -3.827 2.417 521 HH TYR 70 HH TYR 70 9.519 -2.879 3.904 522 H LYS 71 H LYS 71 9.177 -3.558 -4.452 523 HA LYS 71 HA LYS 71 10.157 -2.195 -6.775 524 HB2 LYS 71 1HB LYS 71 8.575 -4.299 -6.541 525 HB3 LYS 71 2HB LYS 71 7.312 -3.075 -6.531 526 HG2 LYS 71 1HG LYS 71 7.898 -2.318 -8.693 527 HG3 LYS 71 2HG LYS 71 9.403 -3.240 -8.682 528 HD2 LYS 71 1HD LYS 71 8.211 -5.312 -8.797 529 HD3 LYS 71 2HD LYS 71 6.665 -4.496 -8.557 530 HE2 LYS 71 1HE LYS 71 6.773 -3.475 -10.694 531 HE3 LYS 71 2HE LYS 71 8.462 -3.931 -10.903 532 HZ1 LYS 71 3HZ LYS 71 7.716 -5.714 -11.964 533 HZ2 LYS 71 1HZ LYS 71 6.112 -5.410 -11.519 534 HZ3 LYS 71 2HZ LYS 71 7.123 -6.292 -10.489 535 H SER 72 H SER 72 8.765 -0.609 -7.963 536 HA SER 72 HA SER 72 6.976 1.028 -6.417 537 HB2 SER 72 1HB SER 72 9.471 2.402 -7.396 538 HB3 SER 72 2HB SER 72 8.259 3.000 -6.264 539 HG SER 72 HG SER 72 9.744 2.344 -4.888 540 H GLU 73 H GLU 73 5.632 2.204 -7.696 541 HA GLU 73 HA GLU 73 6.309 2.503 -10.533 542 HB2 GLU 73 1HB GLU 73 4.021 0.989 -9.377 543 HB3 GLU 73 2HB GLU 73 3.721 1.938 -10.826 544 HG2 GLU 73 1HG GLU 73 5.551 -0.398 -10.456 545 HG3 GLU 73 2HG GLU 73 4.247 -0.181 -11.622 546 H ASP 74 H ASP 74 5.285 4.226 -11.587 547 HA ASP 74 HA ASP 74 4.109 6.207 -9.759 548 HB2 ASP 74 1HB ASP 74 5.635 6.509 -12.345 549 HB3 ASP 74 2HB ASP 74 4.746 7.840 -11.609 550 H THR 75 H THR 75 2.047 6.765 -9.985 551 HA THR 75 HA THR 75 0.730 6.374 -12.579 552 HB THR 75 HB THR 75 0.175 4.409 -11.215 553 HG1 THR 75 1HG THR 75 -1.431 5.666 -12.592 554 HG21 THR 75 3HG2 THR 75 -1.565 5.647 -9.303 555 HG22 THR 75 1HG2 THR 75 0.068 6.284 -9.114 556 HG23 THR 75 2HG2 THR 75 -0.215 4.546 -9.026 557 H THR 76 H THR 76 -0.950 7.790 -13.026 558 HA THR 76 HA THR 76 -1.029 10.161 -11.312 559 HB THR 76 HB THR 76 -2.256 11.177 -13.299 560 HG1 THR 76 1HG THR 76 -1.152 9.062 -14.804 561 HG21 THR 76 3HG2 THR 76 0.444 10.224 -14.156 562 HG22 THR 76 1HG2 THR 76 0.297 11.238 -12.721 563 HG23 THR 76 2HG2 THR 76 -0.270 11.831 -14.282 564 H SER 77 H SER 77 -2.586 7.465 -11.123 565 HA SER 77 HA SER 77 -5.241 8.702 -10.789 566 HB2 SER 77 1HB SER 77 -4.561 5.854 -11.557 567 HB3 SER 77 2HB SER 77 -6.186 6.417 -11.162 568 HG SER 77 HG SER 77 -6.213 6.774 -13.252 569 H LEU 78 H LEU 78 -6.604 7.540 -9.134 570 HA LEU 78 HA LEU 78 -5.008 7.194 -6.725 571 HB2 LEU 78 1HB LEU 78 -7.997 7.335 -7.095 572 HB3 LEU 78 2HB LEU 78 -7.154 7.306 -5.548 573 HG LEU 78 HG LEU 78 -6.662 9.497 -7.538 574 HD11 LEU 78 1HD1 LEU 78 -9.125 9.245 -7.047 575 HD12 LEU 78 2HD1 LEU 78 -8.409 10.802 -6.634 576 HD13 LEU 78 3HD1 LEU 78 -8.738 9.620 -5.367 577 HD21 LEU 78 3HD2 LEU 78 -5.622 10.575 -5.828 578 HD22 LEU 78 1HD2 LEU 78 -5.339 8.914 -5.307 579 HD23 LEU 78 2HD2 LEU 78 -6.653 9.850 -4.594 580 H SER 79 H SER 79 -5.021 5.114 -8.772 581 HA SER 79 HA SER 79 -5.429 2.865 -7.058 582 HB2 SER 79 1HB SER 79 -7.090 1.699 -8.459 583 HB3 SER 79 2HB SER 79 -7.750 3.189 -7.784 584 HG SER 79 HG SER 79 -8.075 2.722 -10.132 585 H TYR 80 H TYR 80 -3.988 1.344 -7.569 586 HA TYR 80 HA TYR 80 -2.867 1.351 -10.295 587 HB2 TYR 80 1HB TYR 80 -1.205 2.279 -8.831 588 HB3 TYR 80 2HB TYR 80 -1.437 0.987 -7.658 589 HD1 TYR 80 1HD TYR 80 0.038 1.882 -10.896 590 HD2 TYR 80 2HD TYR 80 -0.448 -1.195 -7.997 591 HE1 TYR 80 1HE TYR 80 1.834 0.591 -11.973 592 HE2 TYR 80 2HE TYR 80 1.347 -2.493 -9.065 593 HH TYR 80 HH TYR 80 2.346 -2.234 -11.935 594 H THR 81 H THR 81 -2.414 -0.618 -11.233 595 HA THR 81 HA THR 81 -3.533 -2.957 -9.840 596 HB THR 81 HB THR 81 -3.077 -2.778 -12.812 597 HG1 THR 81 1HG THR 81 -4.572 -1.109 -11.753 598 HG21 THR 81 3HG2 THR 81 -3.577 -4.965 -12.445 599 HG22 THR 81 1HG2 THR 81 -5.226 -4.342 -12.481 600 HG23 THR 81 2HG2 THR 81 -4.426 -4.631 -10.936 601 H ALA 82 H ALA 82 -1.900 -4.008 -8.871 602 HA ALA 82 HA ALA 82 0.739 -4.139 -9.998 603 HB1 ALA 82 3HB ALA 82 -0.436 -5.611 -7.642 604 HB2 ALA 82 1HB ALA 82 1.275 -5.523 -8.060 605 HB3 ALA 82 2HB ALA 82 0.408 -4.064 -7.580 606 H THR 83 H THR 83 0.794 -5.246 -11.896 607 HA THR 83 HA THR 83 -0.419 -7.910 -12.011 608 HB THR 83 HB THR 83 0.017 -7.824 -14.426 609 HG1 THR 83 1HG THR 83 1.070 -5.232 -13.863 610 HG21 THR 83 3HG2 THR 83 -1.222 -5.179 -13.807 611 HG22 THR 83 1HG2 THR 83 -1.990 -6.648 -13.206 612 HG23 THR 83 2HG2 THR 83 -1.743 -6.427 -14.938 613 H GLY 84 H GLY 84 0.751 -9.765 -12.358 614 HA2 GLY 84 1HA GLY 84 2.640 -11.081 -12.746 615 HA3 GLY 84 2HA GLY 84 3.611 -9.619 -12.837 616 H LEU 85 H LEU 85 1.493 -10.923 -10.290 617 HA LEU 85 HA LEU 85 3.739 -10.630 -8.416 618 HB2 LEU 85 1HB LEU 85 0.899 -11.009 -7.567 619 HB3 LEU 85 2HB LEU 85 2.225 -10.230 -6.706 620 HG LEU 85 HG LEU 85 1.052 -9.018 -9.188 621 HD11 LEU 85 1HD1 LEU 85 -0.849 -9.291 -7.791 622 HD12 LEU 85 2HD1 LEU 85 -0.322 -7.617 -7.626 623 HD13 LEU 85 3HD1 LEU 85 0.050 -8.787 -6.360 624 HD21 LEU 85 3HD2 LEU 85 2.059 -7.410 -6.934 625 HD22 LEU 85 1HD2 LEU 85 2.280 -7.200 -8.671 626 HD23 LEU 85 2HD2 LEU 85 3.263 -8.372 -7.792 627 H LYS 86 H LYS 86 3.309 -12.197 -6.414 628 HA LYS 86 HA LYS 86 3.379 -14.883 -7.553 629 HB2 LYS 86 1HB LYS 86 5.226 -14.137 -6.085 630 HB3 LYS 86 2HB LYS 86 4.079 -13.938 -4.767 631 HG2 LYS 86 1HG LYS 86 3.550 -16.382 -4.993 632 HG3 LYS 86 2HG LYS 86 4.914 -16.495 -6.108 633 HD2 LYS 86 1HD LYS 86 5.121 -15.439 -3.291 634 HD3 LYS 86 2HD LYS 86 5.451 -17.113 -3.745 635 HE2 LYS 86 1HE LYS 86 6.840 -14.808 -5.075 636 HE3 LYS 86 2HE LYS 86 7.437 -15.505 -3.570 637 HZ1 LYS 86 3HZ LYS 86 7.023 -16.990 -6.109 638 HZ2 LYS 86 1HZ LYS 86 7.615 -17.645 -4.666 639 HZ3 LYS 86 2HZ LYS 86 8.518 -16.483 -5.499 640 HA PRO 87 HA PRO 87 -0.687 -15.842 -6.121 641 HB2 PRO 87 1HB PRO 87 -0.515 -18.545 -6.298 642 HB3 PRO 87 2HB PRO 87 -0.683 -17.498 -7.713 643 HG2 PRO 87 1HG PRO 87 1.779 -18.766 -6.576 644 HG3 PRO 87 2HG PRO 87 1.276 -18.622 -8.270 645 HD2 PRO 87 1HD PRO 87 3.114 -16.977 -7.152 646 HD3 PRO 87 2HD PRO 87 2.008 -16.442 -8.433 647 H ASN 88 H ASN 88 -1.753 -16.693 -4.309 648 HA ASN 88 HA ASN 88 -1.951 -17.020 -2.056 649 HB2 ASN 88 1HB ASN 88 -0.573 -19.056 -1.258 650 HB3 ASN 88 2HB ASN 88 -1.766 -19.309 -2.529 651 HD21 ASN 88 1HD2 ASN 88 1.435 -19.696 -1.614 652 HD22 ASN 88 2HD2 ASN 88 2.086 -20.160 -3.145 653 H THR 89 H THR 89 -0.083 -14.977 -2.793 654 HA THR 89 HA THR 89 1.572 -14.997 -0.373 655 HB THR 89 HB THR 89 2.680 -13.924 -2.959 656 HG1 THR 89 1HG THR 89 2.180 -16.396 -2.696 657 HG21 THR 89 3HG2 THR 89 4.149 -14.936 -0.536 658 HG22 THR 89 1HG2 THR 89 3.591 -13.268 -0.668 659 HG23 THR 89 2HG2 THR 89 4.753 -13.905 -1.833 660 H MET 90 H MET 90 1.259 -13.216 0.784 661 HA MET 90 HA MET 90 -0.014 -10.911 -0.503 662 HB2 MET 90 1HB MET 90 -1.192 -11.800 1.425 663 HB3 MET 90 2HB MET 90 0.257 -11.660 2.413 664 HG2 MET 90 1HG MET 90 0.169 -9.184 2.002 665 HG3 MET 90 2HG MET 90 -1.417 -9.440 1.277 666 HE1 MET 90 3HE MET 90 0.008 -9.795 5.507 667 HE2 MET 90 1HE MET 90 -0.406 -11.423 4.967 668 HE3 MET 90 2HE MET 90 0.768 -10.466 4.063 669 H TYR 91 H TYR 91 0.729 -8.772 -0.080 670 HA TYR 91 HA TYR 91 3.453 -8.544 0.981 671 HB2 TYR 91 1HB TYR 91 2.890 -6.919 -1.426 672 HB3 TYR 91 2HB TYR 91 4.378 -7.714 -0.924 673 HD1 TYR 91 1HD TYR 91 4.158 -10.410 -0.963 674 HD2 TYR 91 2HD TYR 91 1.914 -7.701 -3.356 675 HE1 TYR 91 1HE TYR 91 3.761 -12.198 -2.603 676 HE2 TYR 91 2HE TYR 91 1.509 -9.482 -5.003 677 HH TYR 91 HH TYR 91 1.591 -12.428 -4.584 678 H GLU 92 H GLU 92 4.024 -6.006 0.794 679 HA GLU 92 HA GLU 92 1.819 -4.663 2.194 680 HB2 GLU 92 1HB GLU 92 3.558 -4.494 3.663 681 HB3 GLU 92 2HB GLU 92 4.776 -4.559 2.396 682 HG2 GLU 92 1HG GLU 92 4.650 -2.294 1.971 683 HG3 GLU 92 2HG GLU 92 3.041 -2.147 2.676 684 H PHE 93 H PHE 93 0.776 -3.042 1.253 685 HA PHE 93 HA PHE 93 2.024 -1.749 -1.082 686 HB2 PHE 93 1HB PHE 93 -0.888 -2.309 -0.500 687 HB3 PHE 93 2HB PHE 93 -0.337 -1.282 -1.819 688 HD1 PHE 93 2HD PHE 93 -0.131 -4.726 -0.467 689 HD2 PHE 93 1HD PHE 93 0.286 -2.202 -3.869 690 HE1 PHE 93 2HE PHE 93 0.104 -6.709 -1.905 691 HE2 PHE 93 1HE PHE 93 0.520 -4.181 -5.313 692 HZ PHE 93 HZ PHE 93 0.430 -6.438 -4.331 693 H SER 94 H SER 94 2.012 0.458 -1.234 694 HA SER 94 HA SER 94 0.547 2.066 0.675 695 HB2 SER 94 1HB SER 94 2.905 1.263 1.614 696 HB3 SER 94 2HB SER 94 3.481 2.610 0.632 697 HG SER 94 HG SER 94 1.545 3.683 1.838 698 H VAL 95 H VAL 95 0.692 4.365 0.214 699 HA VAL 95 HA VAL 95 1.655 4.954 -2.506 700 HB VAL 95 HB VAL 95 -0.910 6.033 -1.337 701 HG11 VAL 95 1HG1 VAL 95 0.147 7.502 -2.965 702 HG12 VAL 95 2HG1 VAL 95 0.247 6.171 -4.120 703 HG13 VAL 95 3HG1 VAL 95 -1.327 6.796 -3.628 704 HG21 VAL 95 3HG2 VAL 95 -2.105 4.359 -2.267 705 HG22 VAL 95 1HG2 VAL 95 -1.013 4.202 -3.643 706 HG23 VAL 95 2HG2 VAL 95 -0.596 3.463 -2.097 707 H MET 96 H MET 96 2.170 7.179 -2.915 708 HA MET 96 HA MET 96 2.330 8.970 -0.631 709 HB2 MET 96 1HB MET 96 4.792 9.397 -1.181 710 HB3 MET 96 2HB MET 96 4.409 7.924 -0.301 711 HG2 MET 96 1HG MET 96 4.686 6.589 -2.240 712 HG3 MET 96 2HG MET 96 4.768 8.009 -3.281 713 HE1 MET 96 3HE MET 96 6.720 9.979 -1.670 714 HE2 MET 96 1HE MET 96 8.228 9.528 -2.466 715 HE3 MET 96 2HE MET 96 6.739 9.647 -3.403 716 H VAL 97 H VAL 97 3.716 11.017 -1.510 717 HA VAL 97 HA VAL 97 2.821 11.619 -4.242 718 HB VAL 97 HB VAL 97 1.135 12.546 -2.720 719 HG11 VAL 97 1HG1 VAL 97 2.271 12.908 -0.701 720 HG12 VAL 97 2HG1 VAL 97 3.521 13.882 -1.478 721 HG13 VAL 97 3HG1 VAL 97 1.889 14.525 -1.293 722 HG21 VAL 97 3HG2 VAL 97 2.454 15.031 -3.540 723 HG22 VAL 97 1HG2 VAL 97 2.347 13.810 -4.808 724 HG23 VAL 97 2HG2 VAL 97 0.884 14.373 -4.001 725 H THR 98 H THR 98 4.085 13.085 -5.369 726 HA THR 98 HA THR 98 6.504 14.058 -4.003 727 HB THR 98 HB THR 98 6.391 12.750 -6.727 728 HG1 THR 98 1HG THR 98 7.260 11.970 -4.183 729 HG21 THR 98 3HG2 THR 98 8.047 14.824 -5.979 730 HG22 THR 98 1HG2 THR 98 8.369 13.657 -7.261 731 HG23 THR 98 2HG2 THR 98 9.020 13.392 -5.643 732 H LYS 99 H LYS 99 6.505 16.199 -4.074 733 HA LYS 99 HA LYS 99 5.608 17.526 -6.546 734 HB2 LYS 99 1HB LYS 99 4.137 17.679 -4.352 735 HB3 LYS 99 2HB LYS 99 5.320 18.904 -3.912 736 HG2 LYS 99 1HG LYS 99 4.721 20.291 -5.694 737 HG3 LYS 99 2HG LYS 99 3.887 18.988 -6.543 738 HD2 LYS 99 1HD LYS 99 2.179 20.331 -5.639 739 HD3 LYS 99 2HD LYS 99 2.287 18.935 -4.563 740 HE2 LYS 99 1HE LYS 99 3.922 20.431 -3.212 741 HE3 LYS 99 2HE LYS 99 3.180 21.756 -4.108 742 HZ1 LYS 99 3HZ LYS 99 1.006 20.978 -3.289 743 HZ2 LYS 99 1HZ LYS 99 2.039 21.460 -2.039 744 HZ3 LYS 99 2HZ LYS 99 1.790 19.815 -2.343 745 H ASN 100 H ASN 100 6.493 19.764 -6.770 746 HA ASN 100 HA ASN 100 8.390 20.982 -7.175 747 HB2 ASN 100 1HB ASN 100 8.114 20.712 -4.224 748 HB3 ASN 100 2HB ASN 100 9.608 21.416 -4.834 749 HD21 ASN 100 1HD2 ASN 100 7.771 22.800 -3.262 750 HD22 ASN 100 2HD2 ASN 100 7.087 24.074 -4.207 751 H ARG 101 H ARG 101 8.730 18.131 -7.501 752 HA ARG 101 HA ARG 101 10.388 16.634 -7.928 753 HB2 ARG 101 1HB ARG 101 11.538 18.434 -9.040 754 HB3 ARG 101 2HB ARG 101 12.105 19.082 -7.507 755 HG2 ARG 101 1HG ARG 101 13.767 17.548 -7.311 756 HG3 ARG 101 2HG ARG 101 12.867 16.299 -8.174 757 HD2 ARG 101 1HD ARG 101 13.204 17.710 -10.259 758 HD3 ARG 101 2HD ARG 101 14.367 18.642 -9.316 759 HE ARG 101 HE ARG 101 14.902 15.839 -9.228 760 HH11 ARG 101 1HH1 ARG 101 15.284 18.716 -11.150 761 HH12 ARG 101 2HH1 ARG 101 16.690 18.134 -11.978 762 HH21 ARG 101 1HH2 ARG 101 16.752 15.061 -10.312 763 HH22 ARG 101 2HH2 ARG 101 17.524 16.054 -11.501 764 H ARG 102 H ARG 102 9.346 16.630 -5.363 765 HA ARG 102 HA ARG 102 11.595 15.516 -3.887 766 HB2 ARG 102 1HB ARG 102 11.505 16.884 -2.062 767 HB3 ARG 102 2HB ARG 102 11.005 18.042 -3.288 768 HG2 ARG 102 1HG ARG 102 8.695 17.748 -2.704 769 HG3 ARG 102 2HG ARG 102 9.105 16.446 -1.585 770 HD2 ARG 102 1HD ARG 102 10.263 19.195 -1.272 771 HD3 ARG 102 2HD ARG 102 8.670 18.796 -0.630 772 HE ARG 102 HE ARG 102 10.275 16.830 0.340 773 HH11 ARG 102 1HH1 ARG 102 10.379 20.309 0.412 774 HH12 ARG 102 2HH1 ARG 102 11.200 20.383 1.936 775 HH21 ARG 102 1HH2 ARG 102 11.357 16.915 2.347 776 HH22 ARG 102 2HH2 ARG 102 11.757 18.452 3.035 777 H SER 103 H SER 103 10.973 14.046 -2.232 778 HA SER 103 HA SER 103 8.267 12.979 -2.632 779 HB2 SER 103 1HB SER 103 9.307 10.930 -1.455 780 HB3 SER 103 2HB SER 103 9.827 11.281 -3.104 781 HG SER 103 HG SER 103 11.679 10.972 -1.989 782 H SER 104 H SER 104 6.888 12.599 -0.938 783 HA SER 104 HA SER 104 7.513 14.025 1.529 784 HB2 SER 104 1HB SER 104 5.101 13.809 2.008 785 HB3 SER 104 2HB SER 104 5.386 14.541 0.429 786 HG SER 104 HG SER 104 3.973 12.375 0.987 787 H THR 105 H THR 105 5.429 11.197 1.165 788 HA THR 105 HA THR 105 7.118 9.315 2.386 789 HB THR 105 HB THR 105 6.762 10.880 4.341 790 HG1 THR 105 1HG THR 105 6.926 9.161 5.608 791 HG21 THR 105 3HG2 THR 105 4.203 11.009 3.616 792 HG22 THR 105 1HG2 THR 105 4.714 11.219 5.291 793 HG23 THR 105 2HG2 THR 105 4.084 9.663 4.749 794 H TRP 106 H TRP 106 5.807 7.399 3.263 795 HA TRP 106 HA TRP 106 3.610 6.941 1.395 796 HB2 TRP 106 1HB TRP 106 5.021 4.969 3.205 797 HB3 TRP 106 2HB TRP 106 3.898 4.580 1.904 798 HD1 TRP 106 HD TRP 106 7.491 5.776 2.499 799 HE1 TRP 106 1HE TRP 106 8.836 5.434 0.331 800 HE3 TRP 106 3HE TRP 106 3.677 4.403 -0.617 801 HZ2 TRP 106 2HZ TRP 106 8.346 4.682 -2.345 802 HZ3 TRP 106 3HZ TRP 106 4.199 3.890 -2.966 803 HH2 TRP 106 HH TRP 106 6.486 4.028 -3.810 804 H SER 107 H SER 107 1.572 6.211 2.025 805 HA SER 107 HA SER 107 0.789 7.046 4.703 806 HB2 SER 107 1HB SER 107 -1.528 6.782 3.844 807 HB3 SER 107 2HB SER 107 -0.557 7.867 2.848 808 HG SER 107 HG SER 107 -0.861 5.114 2.263 809 H MET 108 H MET 108 -1.289 5.572 5.402 810 HA MET 108 HA MET 108 -0.325 3.347 6.636 811 HB2 MET 108 1HB MET 108 -2.692 2.532 6.725 812 HB3 MET 108 2HB MET 108 -2.481 4.204 7.228 813 HG2 MET 108 1HG MET 108 -3.338 5.007 5.146 814 HG3 MET 108 2HG MET 108 -3.370 3.377 4.478 815 HE1 MET 108 3HE MET 108 -4.356 1.530 5.714 816 HE2 MET 108 1HE MET 108 -5.396 1.674 7.132 817 HE3 MET 108 2HE MET 108 -6.108 1.609 5.519 818 H THR 109 H THR 109 0.101 1.267 6.144 819 HA THR 109 HA THR 109 0.216 0.530 3.362 820 HB THR 109 HB THR 109 1.054 -0.854 5.901 821 HG1 THR 109 1HG THR 109 3.057 -0.369 5.173 822 HG21 THR 109 3HG2 THR 109 2.036 -2.607 4.376 823 HG22 THR 109 1HG2 THR 109 1.011 -1.960 3.096 824 HG23 THR 109 2HG2 THR 109 0.282 -2.653 4.545 825 H ALA 110 H ALA 110 -0.949 -1.036 2.312 826 HA ALA 110 HA ALA 110 -3.329 -2.031 3.735 827 HB1 ALA 110 3HB ALA 110 -4.330 -2.231 1.442 828 HB2 ALA 110 1HB ALA 110 -3.993 -0.582 1.971 829 HB3 ALA 110 2HB ALA 110 -2.915 -1.380 0.825 830 H HIS 111 H HIS 111 -3.437 -4.141 4.105 831 HA HIS 111 HA HIS 111 -1.567 -5.923 2.744 832 HB2 HIS 111 1HB HIS 111 -3.201 -6.112 5.252 833 HB3 HIS 111 2HB HIS 111 -2.582 -7.577 4.495 834 HD1 HIS 111 1HD HIS 111 0.179 -6.188 3.632 835 HD2 HIS 111 2HD HIS 111 -1.489 -6.277 7.435 836 HE1 HIS 111 1HE HIS 111 2.104 -5.862 5.218 837 HE2 HIS 111 2HE HIS 111 1.082 -6.005 7.515 838 H ALA 112 H ALA 112 -2.154 -7.438 1.306 839 HA ALA 112 HA ALA 112 -4.873 -8.391 1.128 840 HB1 ALA 112 3HB ALA 112 -4.267 -7.558 -1.521 841 HB2 ALA 112 1HB ALA 112 -5.613 -7.071 -0.491 842 HB3 ALA 112 2HB ALA 112 -4.097 -6.170 -0.447 843 H THR 113 H THR 113 -4.540 -10.506 0.978 844 HA THR 113 HA THR 113 -2.169 -11.568 -0.296 845 HB THR 113 HB THR 113 -4.449 -13.228 0.750 846 HG1 THR 113 1HG THR 113 -3.407 -11.456 2.217 847 HG21 THR 113 3HG2 THR 113 -2.248 -14.535 1.463 848 HG22 THR 113 1HG2 THR 113 -1.574 -13.630 0.109 849 HG23 THR 113 2HG2 THR 113 -2.950 -14.703 -0.145 850 H THR 114 H THR 114 -2.114 -12.897 -2.104 851 HA THR 114 HA THR 114 -4.264 -12.448 -4.003 852 HB THR 114 HB THR 114 -2.701 -13.677 -5.588 853 HG1 THR 114 1HG THR 114 -0.533 -13.867 -4.829 854 HG21 THR 114 3HG2 THR 114 -1.470 -11.747 -6.041 855 HG22 THR 114 1HG2 THR 114 -1.339 -11.314 -4.337 856 HG23 THR 114 2HG2 THR 114 -2.878 -11.131 -5.177 857 H TYR 115 H TYR 115 -5.336 -14.109 -5.146 858 HA TYR 115 HA TYR 115 -6.146 -16.300 -3.566 859 HB2 TYR 115 1HB TYR 115 -6.504 -15.976 -6.551 860 HB3 TYR 115 2HB TYR 115 -7.470 -16.977 -5.473 861 HD1 TYR 115 2HD TYR 115 -8.944 -15.869 -3.772 862 HD2 TYR 115 1HD TYR 115 -6.989 -13.678 -6.851 863 HE1 TYR 115 2HE TYR 115 -10.498 -13.995 -3.417 864 HE2 TYR 115 1HE TYR 115 -8.536 -11.797 -6.503 865 HH TYR 115 HH TYR 115 -10.055 -11.068 -4.193 866 H GLU 116 H GLU 116 -5.417 -18.330 -3.403 867 HA GLU 116 HA GLU 116 -2.896 -19.104 -4.196 868 HB2 GLU 116 1HB GLU 116 -4.655 -20.199 -2.563 869 HB3 GLU 116 2HB GLU 116 -5.026 -21.188 -3.968 870 HG2 GLU 116 1HG GLU 116 -2.390 -21.466 -3.993 871 HG3 GLU 116 2HG GLU 116 -2.598 -21.124 -2.276 872 H ALA 117 H ALA 117 -2.002 -19.719 -6.051 873 HA ALA 117 HA ALA 117 -3.367 -19.657 -8.495 874 HB1 ALA 117 3HB ALA 117 -0.659 -20.297 -7.588 875 HB2 ALA 117 1HB ALA 117 -1.144 -21.130 -9.065 876 HB3 ALA 117 2HB ALA 117 -1.200 -19.369 -8.986 877 H SER 118 H SER 118 -4.090 -21.253 -9.883 878 HA SER 118 HA SER 118 -4.777 -23.779 -8.590 879 HB2 SER 118 1HB SER 118 -6.514 -22.376 -9.767 880 HB3 SER 118 2HB SER 118 -5.704 -22.766 -11.284 881 HG SER 118 HG SER 118 -6.709 -24.598 -11.262 882 H GLY 119 H GLY 119 -3.289 -25.328 -8.781 883 HA2 GLY 119 1HA GLY 119 -1.959 -25.651 -11.400 884 HA3 GLY 119 2HA GLY 119 -1.213 -26.069 -9.864 885 HA PRO 120 HA PRO 120 -2.505 -30.216 -10.516 886 HB2 PRO 120 1HB PRO 120 -2.436 -31.109 -7.953 887 HB3 PRO 120 2HB PRO 120 -0.977 -30.791 -8.899 888 HG2 PRO 120 1HG PRO 120 -2.311 -29.074 -6.842 889 HG3 PRO 120 2HG PRO 120 -0.585 -29.407 -7.073 890 HD2 PRO 120 1HD PRO 120 -1.756 -27.122 -7.934 891 HD3 PRO 120 2HD PRO 120 -0.389 -27.873 -8.783 892 H SER 121 H SER 121 -4.174 -28.181 -8.196 893 HA SER 121 HA SER 121 -6.467 -29.981 -8.115 894 HB2 SER 121 1HB SER 121 -5.929 -29.057 -5.989 895 HB3 SER 121 2HB SER 121 -5.796 -27.427 -6.650 896 HG SER 121 HG SER 121 -8.234 -28.755 -6.934 897 H SER 122 H SER 122 -8.516 -29.446 -8.858 898 HA SER 122 HA SER 122 -9.067 -26.929 -10.115 899 HB2 SER 122 1HB SER 122 -9.272 -27.667 -12.386 900 HB3 SER 122 2HB SER 122 -7.669 -28.149 -11.832 901 HG SER 122 HG SER 122 -8.800 -30.226 -11.296 902 H GLY 123 H GLY 123 -11.130 -26.550 -9.680 903 HA2 GLY 123 1HA GLY 123 -13.167 -28.518 -10.196 904 HA3 GLY 123 2HA GLY 123 -12.920 -28.216 -8.482 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.926 3.057 37.128 2 HA2 GLY 1 1HA GLY 1 -5.039 5.331 35.250 3 HA3 GLY 1 2HA GLY 1 -3.514 4.818 35.958 4 H SER 2 H SER 2 -2.869 4.612 33.684 5 HA SER 2 HA SER 2 -3.947 2.226 32.359 6 HB2 SER 2 1HB SER 2 -2.845 3.046 30.339 7 HB3 SER 2 2HB SER 2 -3.854 4.315 31.033 8 HG SER 2 HG SER 2 -2.131 5.489 31.182 9 H SER 3 H SER 3 -2.283 0.901 31.146 10 HA SER 3 HA SER 3 -0.368 -0.075 33.020 11 HB2 SER 3 1HB SER 3 -0.684 -0.787 30.095 12 HB3 SER 3 2HB SER 3 0.182 -1.725 31.311 13 HG SER 3 HG SER 3 -2.602 -1.186 31.220 14 H GLY 4 H GLY 4 0.037 1.242 29.723 15 HA2 GLY 4 1HA GLY 4 1.936 3.126 30.136 16 HA3 GLY 4 2HA GLY 4 2.866 1.635 30.157 17 H SER 5 H SER 5 2.583 4.031 28.259 18 HA SER 5 HA SER 5 2.499 2.402 25.820 19 HB2 SER 5 1HB SER 5 1.135 3.951 24.642 20 HB3 SER 5 2HB SER 5 0.324 3.687 26.186 21 HG SER 5 HG SER 5 0.861 5.670 26.831 22 H SER 6 H SER 6 3.601 3.408 23.990 23 HA SER 6 HA SER 6 5.998 4.774 24.879 24 HB2 SER 6 1HB SER 6 5.813 2.810 23.159 25 HB3 SER 6 2HB SER 6 5.434 4.094 22.011 26 HG SER 6 HG SER 6 7.807 3.336 22.783 27 H GLY 7 H GLY 7 3.703 6.363 25.109 28 HA2 GLY 7 1HA GLY 7 2.972 8.486 24.636 29 HA3 GLY 7 2HA GLY 7 4.539 8.739 23.882 30 H PHE 8 H PHE 8 3.111 10.129 22.492 31 HA PHE 8 HA PHE 8 1.876 8.521 20.355 32 HB2 PHE 8 1HB PHE 8 0.807 10.894 19.851 33 HB3 PHE 8 2HB PHE 8 0.104 9.810 21.046 34 HD1 PHE 8 2HD PHE 8 0.314 10.269 23.420 35 HD2 PHE 8 1HD PHE 8 1.933 12.917 20.507 36 HE1 PHE 8 2HE PHE 8 0.539 12.016 25.138 37 HE2 PHE 8 1HE PHE 8 2.161 14.668 22.221 38 HZ PHE 8 HZ PHE 8 1.463 14.219 24.539 39 HA PRO 9 HA PRO 9 5.666 10.440 18.534 40 HB2 PRO 9 1HB PRO 9 6.325 8.260 17.056 41 HB3 PRO 9 2HB PRO 9 6.814 8.460 18.743 42 HG2 PRO 9 1HG PRO 9 4.545 6.873 17.604 43 HG3 PRO 9 2HG PRO 9 5.688 6.431 18.885 44 HD2 PRO 9 1HD PRO 9 3.178 7.302 19.409 45 HD3 PRO 9 2HD PRO 9 4.548 7.630 20.490 46 H THR 10 H THR 10 6.253 10.538 16.143 47 HA THR 10 HA THR 10 5.530 11.534 14.185 48 HB THR 10 HB THR 10 4.565 9.906 12.643 49 HG1 THR 10 1HG THR 10 4.420 7.889 14.546 50 HG21 THR 10 3HG2 THR 10 6.343 8.155 14.233 51 HG22 THR 10 1HG2 THR 10 6.993 9.729 13.780 52 HG23 THR 10 2HG2 THR 10 6.431 8.615 12.533 53 H SER 11 H SER 11 4.010 12.720 15.984 54 HA SER 11 HA SER 11 1.298 12.620 14.838 55 HB2 SER 11 1HB SER 11 2.178 12.657 17.680 56 HB3 SER 11 2HB SER 11 0.758 13.616 17.265 57 HG SER 11 HG SER 11 -0.347 11.845 17.054 58 H VAL 12 H VAL 12 3.573 14.255 14.056 59 HA VAL 12 HA VAL 12 2.393 16.902 14.574 60 HB VAL 12 HB VAL 12 5.357 16.438 14.266 61 HG11 VAL 12 1HG1 VAL 12 3.868 18.837 15.315 62 HG12 VAL 12 2HG1 VAL 12 5.590 18.715 14.951 63 HG13 VAL 12 3HG1 VAL 12 4.406 18.665 13.645 64 HG21 VAL 12 3HG2 VAL 12 3.909 15.651 16.448 65 HG22 VAL 12 1HG2 VAL 12 5.616 16.093 16.465 66 HG23 VAL 12 2HG2 VAL 12 4.391 17.288 16.893 67 HA PRO 13 HA PRO 13 2.233 17.140 10.168 68 HB2 PRO 13 1HB PRO 13 1.813 19.814 9.952 69 HB3 PRO 13 2HB PRO 13 0.558 18.683 10.474 70 HG2 PRO 13 1HG PRO 13 2.314 20.457 12.126 71 HG3 PRO 13 2HG PRO 13 0.579 20.132 12.292 72 HD2 PRO 13 1HD PRO 13 2.442 18.932 13.848 73 HD3 PRO 13 2HD PRO 13 0.931 18.129 13.377 74 H ASP 14 H ASP 14 3.262 18.360 8.366 75 HA ASP 14 HA ASP 14 5.233 18.774 7.270 76 HB2 ASP 14 1HB ASP 14 6.406 20.860 8.275 77 HB3 ASP 14 2HB ASP 14 4.764 21.026 7.659 78 H LEU 15 H LEU 15 5.722 16.574 8.595 79 HA LEU 15 HA LEU 15 7.705 16.646 10.591 80 HB2 LEU 15 1HB LEU 15 6.959 14.531 8.584 81 HB3 LEU 15 2HB LEU 15 8.152 14.280 9.857 82 HG LEU 15 HG LEU 15 6.052 15.101 11.335 83 HD11 LEU 15 1HD1 LEU 15 4.114 13.710 10.379 84 HD12 LEU 15 2HD1 LEU 15 4.949 13.874 8.835 85 HD13 LEU 15 3HD1 LEU 15 4.409 15.312 9.702 86 HD21 LEU 15 3HD2 LEU 15 6.490 12.269 10.394 87 HD22 LEU 15 1HD2 LEU 15 5.723 12.778 11.899 88 HD23 LEU 15 2HD2 LEU 15 7.441 13.081 11.639 89 H SER 16 H SER 16 8.022 15.944 7.107 90 HA SER 16 HA SER 16 10.830 16.821 7.292 91 HB2 SER 16 1HB SER 16 11.323 15.292 5.427 92 HB3 SER 16 2HB SER 16 10.646 14.419 6.802 93 HG SER 16 HG SER 16 9.748 14.497 4.308 94 H THR 17 H THR 17 7.994 16.654 5.166 95 HA THR 17 HA THR 17 8.802 19.214 3.991 96 HB THR 17 HB THR 17 8.223 18.442 1.726 97 HG1 THR 17 1HG THR 17 8.288 15.934 1.689 98 HG21 THR 17 3HG2 THR 17 10.213 17.090 1.321 99 HG22 THR 17 1HG2 THR 17 10.335 16.728 3.042 100 HG23 THR 17 2HG2 THR 17 10.566 18.380 2.470 101 HA PRO 18 HA PRO 18 4.566 20.281 4.455 102 HB2 PRO 18 1HB PRO 18 4.281 22.086 2.448 103 HB3 PRO 18 2HB PRO 18 5.183 22.430 3.929 104 HG2 PRO 18 1HG PRO 18 6.203 21.617 1.234 105 HG3 PRO 18 2HG PRO 18 6.831 22.851 2.342 106 HD2 PRO 18 1HD PRO 18 7.937 20.389 2.127 107 HD3 PRO 18 2HD PRO 18 7.925 21.300 3.650 108 H MET 19 H MET 19 3.871 18.095 3.799 109 HA MET 19 HA MET 19 2.251 18.245 1.388 110 HB2 MET 19 1HB MET 19 4.375 16.161 1.855 111 HB3 MET 19 2HB MET 19 3.000 15.865 0.799 112 HG2 MET 19 1HG MET 19 4.913 18.159 0.457 113 HG3 MET 19 2HG MET 19 5.077 16.605 -0.358 114 HE1 MET 19 3HE MET 19 3.207 15.504 -1.445 115 HE2 MET 19 1HE MET 19 1.854 16.266 -2.280 116 HE3 MET 19 2HE MET 19 3.463 16.296 -3.001 117 H LEU 20 H LEU 20 0.812 16.230 1.241 118 HA LEU 20 HA LEU 20 0.181 15.148 3.890 119 HB2 LEU 20 1HB LEU 20 -1.217 17.220 3.141 120 HB3 LEU 20 2HB LEU 20 -2.037 16.054 2.105 121 HG LEU 20 HG LEU 20 -3.238 16.482 4.213 122 HD11 LEU 20 1HD1 LEU 20 -2.132 13.704 3.844 123 HD12 LEU 20 2HD1 LEU 20 -3.594 14.376 3.124 124 HD13 LEU 20 3HD1 LEU 20 -3.514 14.103 4.864 125 HD21 LEU 20 3HD2 LEU 20 -2.251 16.476 6.208 126 HD22 LEU 20 1HD2 LEU 20 -0.711 16.397 5.352 127 HD23 LEU 20 2HD2 LEU 20 -1.489 14.914 5.907 128 HA PRO 21 HA PRO 21 0.205 11.610 1.094 129 HB2 PRO 21 1HB PRO 21 0.367 9.766 3.080 130 HB3 PRO 21 2HB PRO 21 1.770 10.662 2.484 131 HG2 PRO 21 1HG PRO 21 0.100 11.159 4.918 132 HG3 PRO 21 2HG PRO 21 1.863 11.218 4.740 133 HD2 PRO 21 1HD PRO 21 0.326 13.446 4.756 134 HD3 PRO 21 2HD PRO 21 1.825 13.328 3.813 135 HA PRO 22 HA PRO 22 -3.933 10.130 1.239 136 HB2 PRO 22 1HB PRO 22 -3.674 7.470 0.764 137 HB3 PRO 22 2HB PRO 22 -3.409 8.698 -0.479 138 HG2 PRO 22 1HG PRO 22 -1.404 7.225 1.185 139 HG3 PRO 22 2HG PRO 22 -1.358 7.604 -0.546 140 HD2 PRO 22 1HD PRO 22 0.016 9.036 1.297 141 HD3 PRO 22 2HD PRO 22 -0.644 9.765 -0.181 142 H VAL 23 H VAL 23 -5.365 8.319 2.198 143 HA VAL 23 HA VAL 23 -4.398 7.504 4.850 144 HB VAL 23 HB VAL 23 -6.800 8.032 5.654 145 HG11 VAL 23 1HG1 VAL 23 -4.568 9.963 5.205 146 HG12 VAL 23 2HG1 VAL 23 -6.073 10.525 5.935 147 HG13 VAL 23 3HG1 VAL 23 -5.143 9.239 6.707 148 HG21 VAL 23 3HG2 VAL 23 -7.563 10.200 4.425 149 HG22 VAL 23 1HG2 VAL 23 -6.648 9.531 3.074 150 HG23 VAL 23 2HG2 VAL 23 -7.992 8.622 3.765 151 H GLY 24 H GLY 24 -7.182 7.250 2.628 152 HA2 GLY 24 1HA GLY 24 -7.936 4.673 3.630 153 HA3 GLY 24 2HA GLY 24 -8.601 5.477 2.216 154 H VAL 25 H VAL 25 -5.266 4.495 2.949 155 HA VAL 25 HA VAL 25 -4.767 3.540 0.348 156 HB VAL 25 HB VAL 25 -3.318 2.834 2.905 157 HG11 VAL 25 1HG1 VAL 25 -2.931 2.068 0.119 158 HG12 VAL 25 2HG1 VAL 25 -1.496 2.789 0.850 159 HG13 VAL 25 3HG1 VAL 25 -2.248 1.376 1.591 160 HG21 VAL 25 3HG2 VAL 25 -2.901 5.051 2.883 161 HG22 VAL 25 1HG2 VAL 25 -1.731 4.613 1.638 162 HG23 VAL 25 2HG2 VAL 25 -3.322 5.221 1.179 163 H GLN 26 H GLN 26 -6.321 2.064 -0.293 164 HA GLN 26 HA GLN 26 -6.518 -0.429 1.245 165 HB2 GLN 26 1HB GLN 26 -8.636 0.713 0.725 166 HB3 GLN 26 2HB GLN 26 -8.270 0.604 -0.992 167 HG2 GLN 26 1HG GLN 26 -8.297 -1.852 -0.812 168 HG3 GLN 26 2HG GLN 26 -8.749 -1.699 0.885 169 HE21 GLN 26 1HE2 GLN 26 -10.707 -2.715 0.662 170 HE22 GLN 26 2HE2 GLN 26 -12.038 -2.022 -0.193 171 H ALA 27 H ALA 27 -6.470 -2.464 0.108 172 HA ALA 27 HA ALA 27 -5.088 -2.394 -2.483 173 HB1 ALA 27 3HB ALA 27 -4.246 -4.292 -0.312 174 HB2 ALA 27 1HB ALA 27 -3.412 -3.897 -1.816 175 HB3 ALA 27 2HB ALA 27 -3.501 -2.707 -0.517 176 H VAL 28 H VAL 28 -6.692 -3.214 -3.720 177 HA VAL 28 HA VAL 28 -8.196 -5.539 -2.809 178 HB VAL 28 HB VAL 28 -8.470 -3.959 -5.370 179 HG11 VAL 28 1HG1 VAL 28 -9.557 -6.468 -4.550 180 HG12 VAL 28 2HG1 VAL 28 -10.859 -5.282 -4.659 181 HG13 VAL 28 3HG1 VAL 28 -9.820 -5.583 -6.052 182 HG21 VAL 28 3HG2 VAL 28 -9.344 -3.428 -2.664 183 HG22 VAL 28 1HG2 VAL 28 -9.411 -2.396 -4.092 184 HG23 VAL 28 2HG2 VAL 28 -10.709 -3.546 -3.774 185 H ALA 29 H ALA 29 -8.106 -7.547 -3.725 186 HA ALA 29 HA ALA 29 -5.814 -8.045 -5.487 187 HB1 ALA 29 3HB ALA 29 -6.122 -9.234 -3.238 188 HB2 ALA 29 1HB ALA 29 -7.377 -10.167 -4.055 189 HB3 ALA 29 2HB ALA 29 -5.714 -10.220 -4.642 190 H LEU 30 H LEU 30 -6.306 -8.094 -7.580 191 HA LEU 30 HA LEU 30 -8.943 -8.687 -8.533 192 HB2 LEU 30 1HB LEU 30 -6.424 -8.492 -10.166 193 HB3 LEU 30 2HB LEU 30 -8.083 -8.258 -10.711 194 HG LEU 30 HG LEU 30 -6.852 -6.426 -8.679 195 HD11 LEU 30 1HD1 LEU 30 -6.309 -4.922 -10.596 196 HD12 LEU 30 2HD1 LEU 30 -6.586 -6.288 -11.676 197 HD13 LEU 30 3HD1 LEU 30 -5.291 -6.358 -10.481 198 HD21 LEU 30 3HD2 LEU 30 -8.813 -5.401 -8.828 199 HD22 LEU 30 1HD2 LEU 30 -9.377 -6.664 -9.922 200 HD23 LEU 30 2HD2 LEU 30 -8.611 -5.213 -10.570 201 H THR 31 H THR 31 -5.777 -10.263 -9.001 202 HA THR 31 HA THR 31 -7.094 -12.863 -8.991 203 HB THR 31 HB THR 31 -6.968 -12.012 -11.394 204 HG1 THR 31 1HG THR 31 -6.461 -14.086 -12.102 205 HG21 THR 31 3HG2 THR 31 -5.004 -11.210 -12.085 206 HG22 THR 31 1HG2 THR 31 -4.378 -12.857 -12.020 207 HG23 THR 31 2HG2 THR 31 -4.193 -11.788 -10.630 208 H HIS 32 H HIS 32 -5.275 -14.615 -9.365 209 HA HIS 32 HA HIS 32 -3.629 -14.691 -7.200 210 HB2 HIS 32 1HB HIS 32 -2.223 -16.326 -8.510 211 HB3 HIS 32 2HB HIS 32 -3.949 -16.675 -8.491 212 HD1 HIS 32 1HD HIS 32 -5.261 -15.813 -10.733 213 HD2 HIS 32 2HD HIS 32 -1.139 -16.258 -10.995 214 HE1 HIS 32 1HE HIS 32 -4.752 -15.925 -13.193 215 HE2 HIS 32 2HE HIS 32 -2.262 -16.281 -13.325 216 H ASP 33 H ASP 33 -2.797 -13.441 -10.413 217 HA ASP 33 HA ASP 33 -0.384 -12.232 -9.229 218 HB2 ASP 33 1HB ASP 33 -0.913 -13.175 -12.050 219 HB3 ASP 33 2HB ASP 33 0.469 -12.174 -11.611 220 H ALA 34 H ALA 34 -2.785 -10.936 -8.895 221 HA ALA 34 HA ALA 34 -2.257 -8.454 -10.269 222 HB1 ALA 34 3HB ALA 34 -3.700 -9.648 -11.875 223 HB2 ALA 34 1HB ALA 34 -4.947 -9.767 -10.633 224 HB3 ALA 34 2HB ALA 34 -4.454 -8.186 -11.240 225 H VAL 35 H VAL 35 -2.718 -6.763 -8.990 226 HA VAL 35 HA VAL 35 -4.722 -7.033 -6.883 227 HB VAL 35 HB VAL 35 -1.796 -6.635 -6.414 228 HG11 VAL 35 1HG1 VAL 35 -2.760 -4.594 -5.545 229 HG12 VAL 35 2HG1 VAL 35 -3.990 -5.513 -4.674 230 HG13 VAL 35 3HG1 VAL 35 -2.294 -5.647 -4.209 231 HG21 VAL 35 3HG2 VAL 35 -2.114 -8.645 -5.511 232 HG22 VAL 35 1HG2 VAL 35 -3.039 -7.850 -4.237 233 HG23 VAL 35 2HG2 VAL 35 -3.866 -8.500 -5.653 234 H ARG 36 H ARG 36 -6.016 -5.347 -7.157 235 HA ARG 36 HA ARG 36 -5.009 -2.891 -8.343 236 HB2 ARG 36 1HB ARG 36 -7.096 -3.671 -9.219 237 HB3 ARG 36 2HB ARG 36 -7.781 -3.829 -7.608 238 HG2 ARG 36 1HG ARG 36 -8.734 -1.890 -8.529 239 HG3 ARG 36 2HG ARG 36 -7.511 -1.327 -7.387 240 HD2 ARG 36 1HD ARG 36 -7.165 0.006 -9.265 241 HD3 ARG 36 2HD ARG 36 -5.942 -1.254 -9.418 242 HE ARG 36 HE ARG 36 -7.027 -2.050 -11.285 243 HH11 ARG 36 1HH1 ARG 36 -9.033 0.283 -9.657 244 HH12 ARG 36 2HH1 ARG 36 -10.183 0.389 -10.949 245 HH21 ARG 36 1HH2 ARG 36 -8.533 -1.919 -12.993 246 HH22 ARG 36 2HH2 ARG 36 -9.898 -0.864 -12.845 247 H VAL 37 H VAL 37 -3.913 -1.674 -6.908 248 HA VAL 37 HA VAL 37 -4.883 -1.366 -4.184 249 HB VAL 37 HB VAL 37 -2.470 -0.113 -5.503 250 HG11 VAL 37 1HG1 VAL 37 -3.131 -0.414 -2.576 251 HG12 VAL 37 2HG1 VAL 37 -1.722 0.392 -3.269 252 HG13 VAL 37 3HG1 VAL 37 -3.333 1.072 -3.504 253 HG21 VAL 37 3HG2 VAL 37 -2.533 -2.490 -3.654 254 HG22 VAL 37 1HG2 VAL 37 -2.477 -2.623 -5.412 255 HG23 VAL 37 2HG2 VAL 37 -1.152 -1.847 -4.543 256 H SER 38 H SER 38 -6.409 0.083 -3.777 257 HA SER 38 HA SER 38 -6.348 2.638 -5.247 258 HB2 SER 38 1HB SER 38 -8.794 2.734 -5.019 259 HB3 SER 38 2HB SER 38 -8.298 1.280 -5.886 260 HG SER 38 HG SER 38 -8.417 0.244 -3.728 261 H TRP 39 H TRP 39 -6.268 4.454 -4.073 262 HA TRP 39 HA TRP 39 -6.791 4.263 -1.181 263 HB2 TRP 39 1HB TRP 39 -4.929 5.887 -0.837 264 HB3 TRP 39 2HB TRP 39 -4.395 4.332 -1.468 265 HD1 TRP 39 HD TRP 39 -4.482 8.015 -2.299 266 HE1 TRP 39 1HE TRP 39 -3.203 8.423 -4.495 267 HE3 TRP 39 3HE TRP 39 -3.845 3.164 -3.782 268 HZ2 TRP 39 2HZ TRP 39 -2.074 6.892 -6.581 269 HZ3 TRP 39 3HZ TRP 39 -2.656 2.721 -5.890 270 HH2 TRP 39 HH TRP 39 -1.790 4.548 -7.259 271 H ALA 40 H ALA 40 -6.936 6.578 -0.220 272 HA ALA 40 HA ALA 40 -8.553 8.233 -2.048 273 HB1 ALA 40 3HB ALA 40 -9.525 6.933 0.116 274 HB2 ALA 40 1HB ALA 40 -9.098 8.489 0.828 275 HB3 ALA 40 2HB ALA 40 -10.210 8.420 -0.540 276 H ASP 41 H ASP 41 -8.121 10.372 -2.152 277 HA ASP 41 HA ASP 41 -5.729 11.311 -0.798 278 HB2 ASP 41 1HB ASP 41 -6.114 11.717 -3.236 279 HB3 ASP 41 2HB ASP 41 -7.462 12.765 -2.805 280 H ASN 42 H ASN 42 -5.681 12.672 0.880 281 HA ASN 42 HA ASN 42 -8.246 13.685 1.885 282 HB2 ASN 42 1HB ASN 42 -6.593 12.216 3.274 283 HB3 ASN 42 2HB ASN 42 -5.696 13.719 3.467 284 HD21 ASN 42 1HD2 ASN 42 -8.688 12.060 4.136 285 HD22 ASN 42 2HD2 ASN 42 -9.219 13.115 5.398 286 H SER 43 H SER 43 -4.914 14.688 1.224 287 HA SER 43 HA SER 43 -4.715 17.210 2.044 288 HB2 SER 43 1HB SER 43 -3.155 15.963 0.452 289 HB3 SER 43 2HB SER 43 -4.159 16.587 -0.857 290 HG SER 43 HG SER 43 -2.175 17.819 0.016 291 H VAL 44 H VAL 44 -6.798 16.163 -0.596 292 HA VAL 44 HA VAL 44 -7.695 18.868 -1.136 293 HB VAL 44 HB VAL 44 -7.451 17.271 -2.992 294 HG11 VAL 44 1HG1 VAL 44 -8.657 15.475 -1.263 295 HG12 VAL 44 2HG1 VAL 44 -9.885 15.777 -2.494 296 HG13 VAL 44 3HG1 VAL 44 -8.285 15.205 -2.965 297 HG21 VAL 44 3HG2 VAL 44 -9.152 19.167 -2.957 298 HG22 VAL 44 1HG2 VAL 44 -9.404 17.890 -4.147 299 HG23 VAL 44 2HG2 VAL 44 -10.368 17.923 -2.670 300 HA PRO 45 HA PRO 45 -10.888 18.608 1.954 301 HB2 PRO 45 1HB PRO 45 -12.023 21.009 1.389 302 HB3 PRO 45 2HB PRO 45 -10.517 20.849 2.300 303 HG2 PRO 45 1HG PRO 45 -10.921 21.497 -0.594 304 HG3 PRO 45 2HG PRO 45 -9.800 22.227 0.570 305 HD2 PRO 45 1HD PRO 45 -9.017 20.370 -1.238 306 HD3 PRO 45 2HD PRO 45 -8.274 20.511 0.368 307 H LYS 46 H LYS 46 -13.312 18.953 1.968 308 HA LYS 46 HA LYS 46 -14.701 17.264 0.455 309 HB2 LYS 46 1HB LYS 46 -15.538 18.874 2.290 310 HB3 LYS 46 2HB LYS 46 -15.899 19.975 0.967 311 HG2 LYS 46 1HG LYS 46 -17.900 18.970 1.002 312 HG3 LYS 46 2HG LYS 46 -17.079 17.718 0.066 313 HD2 LYS 46 1HD LYS 46 -17.141 17.660 3.069 314 HD3 LYS 46 2HD LYS 46 -18.453 16.982 2.102 315 HE2 LYS 46 1HE LYS 46 -15.548 16.200 1.880 316 HE3 LYS 46 2HE LYS 46 -16.773 15.297 2.769 317 HZ1 LYS 46 3HZ LYS 46 -17.542 15.857 0.065 318 HZ2 LYS 46 1HZ LYS 46 -17.538 14.388 0.904 319 HZ3 LYS 46 2HZ LYS 46 -16.124 14.939 0.158 320 H ASN 47 H ASN 47 -14.374 20.695 -0.471 321 HA ASN 47 HA ASN 47 -14.471 19.872 -3.283 322 HB2 ASN 47 1HB ASN 47 -15.962 22.330 -2.430 323 HB3 ASN 47 2HB ASN 47 -16.174 21.346 -3.875 324 HD21 ASN 47 1HD2 ASN 47 -17.437 19.521 -3.792 325 HD22 ASN 47 2HD2 ASN 47 -18.460 19.150 -2.451 326 H GLN 48 H GLN 48 -12.772 20.663 -4.319 327 HA GLN 48 HA GLN 48 -11.971 23.362 -4.226 328 HB2 GLN 48 1HB GLN 48 -11.047 22.940 -2.074 329 HB3 GLN 48 2HB GLN 48 -10.338 21.419 -2.600 330 HG2 GLN 48 1HG GLN 48 -8.535 22.876 -2.487 331 HG3 GLN 48 2HG GLN 48 -8.940 22.833 -4.202 332 HE21 GLN 48 1HE2 GLN 48 -8.023 24.820 -4.625 333 HE22 GLN 48 2HE2 GLN 48 -8.721 26.304 -4.084 334 H LYS 49 H LYS 49 -10.609 23.859 -5.896 335 HA LYS 49 HA LYS 49 -9.635 21.584 -7.498 336 HB2 LYS 49 1HB LYS 49 -11.014 24.112 -8.265 337 HB3 LYS 49 2HB LYS 49 -9.797 23.476 -9.364 338 HG2 LYS 49 1HG LYS 49 -11.672 22.480 -10.196 339 HG3 LYS 49 2HG LYS 49 -11.137 21.243 -9.056 340 HD2 LYS 49 1HD LYS 49 -12.673 22.255 -7.362 341 HD3 LYS 49 2HD LYS 49 -13.292 23.310 -8.634 342 HE2 LYS 49 1HE LYS 49 -14.122 21.454 -9.875 343 HE3 LYS 49 2HE LYS 49 -13.287 20.305 -8.830 344 HZ1 LYS 49 3HZ LYS 49 -15.853 20.979 -8.553 345 HZ2 LYS 49 1HZ LYS 49 -15.139 22.084 -7.488 346 HZ3 LYS 49 2HZ LYS 49 -14.887 20.425 -7.280 347 H THR 50 H THR 50 -7.502 21.434 -7.542 348 HA THR 50 HA THR 50 -5.905 23.890 -7.215 349 HB THR 50 HB THR 50 -4.059 22.335 -6.490 350 HG1 THR 50 1HG THR 50 -5.847 20.366 -5.777 351 HG21 THR 50 3HG2 THR 50 -5.258 21.788 -4.247 352 HG22 THR 50 1HG2 THR 50 -6.602 22.688 -4.948 353 HG23 THR 50 2HG2 THR 50 -5.039 23.472 -4.719 354 H SER 51 H SER 51 -4.585 24.495 -8.812 355 HA SER 51 HA SER 51 -4.360 22.742 -11.147 356 HB2 SER 51 1HB SER 51 -5.204 25.082 -11.432 357 HB3 SER 51 2HB SER 51 -3.624 25.669 -10.914 358 HG SER 51 HG SER 51 -2.902 24.146 -12.729 359 H GLU 52 H GLU 52 -2.809 22.008 -8.953 360 HA GLU 52 HA GLU 52 -0.091 22.743 -9.822 361 HB2 GLU 52 1HB GLU 52 -1.169 21.986 -7.115 362 HB3 GLU 52 2HB GLU 52 0.547 21.888 -7.484 363 HG2 GLU 52 1HG GLU 52 0.361 23.962 -6.505 364 HG3 GLU 52 2HG GLU 52 0.296 24.346 -8.224 365 H VAL 53 H VAL 53 0.876 21.206 -10.954 366 HA VAL 53 HA VAL 53 -0.024 18.650 -11.417 367 HB VAL 53 HB VAL 53 1.896 19.972 -12.556 368 HG11 VAL 53 1HG1 VAL 53 3.432 18.411 -10.482 369 HG12 VAL 53 2HG1 VAL 53 4.143 19.213 -11.883 370 HG13 VAL 53 3HG1 VAL 53 3.349 20.166 -10.629 371 HG21 VAL 53 3HG2 VAL 53 1.006 17.418 -12.759 372 HG22 VAL 53 1HG2 VAL 53 2.235 18.131 -13.803 373 HG23 VAL 53 2HG2 VAL 53 2.715 17.154 -12.415 374 H ARG 54 H ARG 54 0.677 16.572 -10.709 375 HA ARG 54 HA ARG 54 2.284 16.296 -8.347 376 HB2 ARG 54 1HB ARG 54 0.359 15.135 -7.097 377 HB3 ARG 54 2HB ARG 54 0.389 16.893 -7.111 378 HG2 ARG 54 1HG ARG 54 -1.831 16.389 -7.530 379 HG3 ARG 54 2HG ARG 54 -1.177 16.692 -9.141 380 HD2 ARG 54 1HD ARG 54 -0.974 14.325 -9.552 381 HD3 ARG 54 2HD ARG 54 -1.467 13.961 -7.898 382 HE ARG 54 HE ARG 54 -3.576 15.335 -8.819 383 HH11 ARG 54 1HH1 ARG 54 -1.772 12.675 -10.155 384 HH12 ARG 54 2HH1 ARG 54 -3.126 12.016 -11.012 385 HH21 ARG 54 1HH2 ARG 54 -5.367 14.478 -9.942 386 HH22 ARG 54 2HH2 ARG 54 -5.171 13.043 -10.890 387 H LEU 55 H LEU 55 2.387 13.984 -7.634 388 HA LEU 55 HA LEU 55 1.528 12.036 -9.617 389 HB2 LEU 55 1HB LEU 55 3.601 12.636 -10.574 390 HB3 LEU 55 2HB LEU 55 4.401 12.665 -9.005 391 HG LEU 55 HG LEU 55 3.694 10.076 -9.097 392 HD11 LEU 55 1HD1 LEU 55 3.625 9.156 -11.189 393 HD12 LEU 55 2HD1 LEU 55 4.502 10.494 -11.930 394 HD13 LEU 55 3HD1 LEU 55 2.804 10.687 -11.494 395 HD21 LEU 55 3HD2 LEU 55 5.922 10.888 -8.645 396 HD22 LEU 55 1HD2 LEU 55 6.138 11.334 -10.337 397 HD23 LEU 55 2HD2 LEU 55 5.993 9.635 -9.885 398 H TYR 56 H TYR 56 1.380 9.951 -8.828 399 HA TYR 56 HA TYR 56 1.938 9.644 -5.950 400 HB2 TYR 56 1HB TYR 56 -0.367 8.688 -7.627 401 HB3 TYR 56 2HB TYR 56 0.043 7.889 -6.114 402 HD1 TYR 56 1HD TYR 56 -0.437 11.384 -7.367 403 HD2 TYR 56 2HD TYR 56 -1.138 8.565 -4.259 404 HE1 TYR 56 1HE TYR 56 -1.729 13.075 -6.133 405 HE2 TYR 56 2HE TYR 56 -2.433 10.247 -3.017 406 HH TYR 56 HH TYR 56 -2.664 12.653 -2.874 407 H THR 57 H THR 57 3.123 7.944 -5.305 408 HA THR 57 HA THR 57 3.984 6.037 -7.376 409 HB THR 57 HB THR 57 5.406 6.763 -4.808 410 HG1 THR 57 1HG THR 57 6.329 7.403 -7.396 411 HG21 THR 57 3HG2 THR 57 5.911 4.500 -5.557 412 HG22 THR 57 1HG2 THR 57 7.301 5.554 -5.809 413 HG23 THR 57 2HG2 THR 57 6.280 5.100 -7.174 414 H VAL 58 H VAL 58 4.011 3.839 -6.953 415 HA VAL 58 HA VAL 58 2.710 2.979 -4.452 416 HB VAL 58 HB VAL 58 2.258 1.724 -7.162 417 HG11 VAL 58 1HG1 VAL 58 2.082 0.408 -4.909 418 HG12 VAL 58 2HG1 VAL 58 0.552 1.274 -4.756 419 HG13 VAL 58 3HG1 VAL 58 0.837 0.226 -6.146 420 HG21 VAL 58 3HG2 VAL 58 -0.087 2.883 -5.973 421 HG22 VAL 58 1HG2 VAL 58 1.171 4.105 -6.159 422 HG23 VAL 58 2HG2 VAL 58 0.626 3.181 -7.559 423 H ARG 59 H ARG 59 3.879 1.581 -3.322 424 HA ARG 59 HA ARG 59 5.810 -0.124 -4.748 425 HB2 ARG 59 1HB ARG 59 7.468 0.238 -3.125 426 HB3 ARG 59 2HB ARG 59 6.805 1.837 -3.435 427 HG2 ARG 59 1HG ARG 59 5.394 1.596 -1.417 428 HG3 ARG 59 2HG ARG 59 6.190 0.055 -1.088 429 HD2 ARG 59 1HD ARG 59 8.291 1.113 -0.768 430 HD3 ARG 59 2HD ARG 59 7.692 2.643 -1.407 431 HE ARG 59 HE ARG 59 6.843 3.128 0.659 432 HH11 ARG 59 1HH1 ARG 59 7.542 -0.278 0.492 433 HH12 ARG 59 2HH1 ARG 59 7.227 -0.558 2.172 434 HH21 ARG 59 1HH2 ARG 59 6.425 2.772 2.873 435 HH22 ARG 59 2HH2 ARG 59 6.591 1.177 3.526 436 H TRP 60 H TRP 60 6.066 -2.213 -3.996 437 HA TRP 60 HA TRP 60 4.625 -3.078 -1.629 438 HB2 TRP 60 1HB TRP 60 3.399 -4.851 -2.880 439 HB3 TRP 60 2HB TRP 60 2.871 -3.220 -3.285 440 HD1 TRP 60 HD TRP 60 4.381 -6.326 -4.805 441 HE1 TRP 60 1HE TRP 60 4.636 -5.998 -7.345 442 HE3 TRP 60 3HE TRP 60 3.356 -1.326 -5.084 443 HZ2 TRP 60 2HZ TRP 60 4.430 -3.897 -9.219 444 HZ3 TRP 60 3HZ TRP 60 3.407 -0.233 -7.288 445 HH2 TRP 60 HH TRP 60 3.933 -1.494 -9.311 446 H ARG 61 H ARG 61 5.680 -4.678 -0.622 447 HA ARG 61 HA ARG 61 7.571 -6.312 -2.166 448 HB2 ARG 61 1HB ARG 61 8.631 -4.363 -0.841 449 HB3 ARG 61 2HB ARG 61 8.250 -5.316 0.587 450 HG2 ARG 61 1HG ARG 61 9.730 -6.627 -1.631 451 HG3 ARG 61 2HG ARG 61 10.590 -5.485 -0.596 452 HD2 ARG 61 1HD ARG 61 8.914 -7.587 0.682 453 HD3 ARG 61 2HD ARG 61 10.468 -8.053 -0.009 454 HE ARG 61 HE ARG 61 11.556 -6.734 1.593 455 HH11 ARG 61 1HH1 ARG 61 8.092 -6.619 1.923 456 HH12 ARG 61 2HH1 ARG 61 8.136 -5.956 3.523 457 HH21 ARG 61 1HH2 ARG 61 11.626 -5.862 3.700 458 HH22 ARG 61 2HH2 ARG 61 10.147 -5.525 4.533 459 H THR 62 H THR 62 7.832 -8.417 -1.469 460 HA THR 62 HA THR 62 5.743 -9.794 -0.409 461 HB THR 62 HB THR 62 7.475 -11.537 0.329 462 HG1 THR 62 1HG THR 62 9.110 -9.430 -0.563 463 HG21 THR 62 3HG2 THR 62 8.292 -11.583 -2.257 464 HG22 THR 62 1HG2 THR 62 6.884 -10.528 -2.373 465 HG23 THR 62 2HG2 THR 62 6.716 -12.152 -1.707 466 H SER 63 H SER 63 4.850 -10.107 1.532 467 HA SER 63 HA SER 63 5.985 -8.727 3.819 468 HB2 SER 63 1HB SER 63 3.519 -8.660 3.178 469 HB3 SER 63 2HB SER 63 3.421 -10.321 3.761 470 HG SER 63 HG SER 63 4.426 -9.358 5.754 471 H PHE 64 H PHE 64 6.945 -9.656 5.526 472 HA PHE 64 HA PHE 64 7.921 -11.229 6.846 473 HB2 PHE 64 1HB PHE 64 5.738 -13.096 5.910 474 HB3 PHE 64 2HB PHE 64 6.663 -13.196 7.404 475 HD1 PHE 64 2HD PHE 64 6.312 -11.472 9.175 476 HD2 PHE 64 1HD PHE 64 3.794 -11.781 5.758 477 HE1 PHE 64 2HE PHE 64 4.588 -10.151 10.331 478 HE2 PHE 64 1HE PHE 64 2.065 -10.460 6.908 479 HZ PHE 64 HZ PHE 64 2.461 -9.644 9.198 480 H SER 65 H SER 65 8.860 -10.936 4.181 481 HA SER 65 HA SER 65 9.738 -13.683 3.573 482 HB2 SER 65 1HB SER 65 9.047 -11.370 1.823 483 HB3 SER 65 2HB SER 65 10.338 -12.446 1.290 484 HG SER 65 HG SER 65 8.274 -13.903 2.173 485 H ALA 66 H ALA 66 11.938 -13.899 2.741 486 HA ALA 66 HA ALA 66 13.826 -12.620 4.395 487 HB1 ALA 66 3HB ALA 66 15.449 -13.674 2.618 488 HB2 ALA 66 1HB ALA 66 14.543 -14.693 3.736 489 HB3 ALA 66 2HB ALA 66 13.979 -14.484 2.078 490 H SER 67 H SER 67 15.902 -11.657 3.316 491 HA SER 67 HA SER 67 15.521 -9.107 2.572 492 HB2 SER 67 1HB SER 67 17.683 -10.995 1.634 493 HB3 SER 67 2HB SER 67 17.723 -9.262 1.307 494 HG SER 67 HG SER 67 18.629 -9.160 3.200 495 H ALA 68 H ALA 68 13.879 -8.599 1.199 496 HA ALA 68 HA ALA 68 14.190 -9.479 -1.597 497 HB1 ALA 68 3HB ALA 68 12.210 -10.490 -1.254 498 HB2 ALA 68 1HB ALA 68 11.825 -9.494 0.150 499 HB3 ALA 68 2HB ALA 68 11.560 -8.865 -1.477 500 H LYS 69 H LYS 69 13.899 -7.953 -3.198 501 HA LYS 69 HA LYS 69 14.402 -5.242 -2.463 502 HB2 LYS 69 1HB LYS 69 14.302 -4.811 -4.902 503 HB3 LYS 69 2HB LYS 69 15.380 -6.137 -4.486 504 HG2 LYS 69 1HG LYS 69 14.220 -6.883 -6.366 505 HG3 LYS 69 2HG LYS 69 13.418 -7.677 -5.009 506 HD2 LYS 69 1HD LYS 69 11.529 -6.362 -5.184 507 HD3 LYS 69 2HD LYS 69 12.392 -5.048 -5.988 508 HE2 LYS 69 1HE LYS 69 12.493 -6.269 -8.034 509 HE3 LYS 69 2HE LYS 69 11.900 -7.736 -7.256 510 HZ1 LYS 69 3HZ LYS 69 10.233 -6.440 -8.596 511 HZ2 LYS 69 1HZ LYS 69 10.298 -5.249 -7.396 512 HZ3 LYS 69 2HZ LYS 69 9.768 -6.809 -7.011 513 H TYR 70 H TYR 70 13.105 -3.404 -3.259 514 HA TYR 70 HA TYR 70 10.235 -3.965 -2.936 515 HB2 TYR 70 1HB TYR 70 11.999 -1.749 -2.052 516 HB3 TYR 70 2HB TYR 70 10.370 -1.307 -2.550 517 HD1 TYR 70 2HD TYR 70 12.212 -3.625 -0.290 518 HD2 TYR 70 1HD TYR 70 8.599 -1.510 -1.049 519 HE1 TYR 70 2HE TYR 70 11.362 -4.295 1.919 520 HE2 TYR 70 1HE TYR 70 7.740 -2.173 1.158 521 HH TYR 70 HH TYR 70 8.158 -4.053 2.807 522 H LYS 71 H LYS 71 8.765 -3.231 -4.402 523 HA LYS 71 HA LYS 71 9.853 -2.276 -6.943 524 HB2 LYS 71 1HB LYS 71 8.187 -4.287 -6.579 525 HB3 LYS 71 2HB LYS 71 6.979 -3.009 -6.569 526 HG2 LYS 71 1HG LYS 71 7.371 -2.441 -8.778 527 HG3 LYS 71 2HG LYS 71 8.974 -3.179 -8.787 528 HD2 LYS 71 1HD LYS 71 7.776 -5.402 -8.458 529 HD3 LYS 71 2HD LYS 71 6.290 -4.536 -8.858 530 HE2 LYS 71 1HE LYS 71 6.859 -5.249 -10.943 531 HE3 LYS 71 2HE LYS 71 7.763 -3.736 -10.915 532 HZ1 LYS 71 3HZ LYS 71 8.956 -6.323 -10.104 533 HZ2 LYS 71 1HZ LYS 71 9.755 -4.874 -10.457 534 HZ3 LYS 71 2HZ LYS 71 9.012 -5.753 -11.696 535 H SER 72 H SER 72 8.759 -0.574 -8.119 536 HA SER 72 HA SER 72 6.954 1.168 -6.697 537 HB2 SER 72 1HB SER 72 8.455 3.151 -6.838 538 HB3 SER 72 2HB SER 72 9.051 1.917 -5.728 539 HG SER 72 HG SER 72 10.126 1.255 -7.954 540 H GLU 73 H GLU 73 5.788 2.455 -8.055 541 HA GLU 73 HA GLU 73 6.651 2.695 -10.843 542 HB2 GLU 73 1HB GLU 73 3.972 1.621 -9.949 543 HB3 GLU 73 2HB GLU 73 4.336 2.119 -11.595 544 HG2 GLU 73 1HG GLU 73 5.885 -0.006 -10.145 545 HG3 GLU 73 2HG GLU 73 4.464 -0.347 -11.131 546 H ASP 74 H ASP 74 5.098 4.191 -12.063 547 HA ASP 74 HA ASP 74 4.246 6.368 -10.267 548 HB2 ASP 74 1HB ASP 74 5.163 7.974 -11.664 549 HB3 ASP 74 2HB ASP 74 6.344 6.675 -11.805 550 H THR 75 H THR 75 2.174 6.911 -10.395 551 HA THR 75 HA THR 75 0.724 6.500 -12.907 552 HB THR 75 HB THR 75 0.306 4.510 -11.479 553 HG1 THR 75 1HG THR 75 -2.054 4.783 -11.556 554 HG21 THR 75 3HG2 THR 75 -0.193 4.660 -9.309 555 HG22 THR 75 1HG2 THR 75 -1.485 5.818 -9.622 556 HG23 THR 75 2HG2 THR 75 0.174 6.381 -9.418 557 H THR 76 H THR 76 -0.797 8.025 -13.339 558 HA THR 76 HA THR 76 -0.920 10.293 -11.507 559 HB THR 76 HB THR 76 -2.141 11.391 -13.459 560 HG1 THR 76 1HG THR 76 -2.251 8.998 -14.383 561 HG21 THR 76 3HG2 THR 76 0.492 10.601 -14.520 562 HG22 THR 76 1HG2 THR 76 0.499 11.222 -12.870 563 HG23 THR 76 2HG2 THR 76 -0.159 12.204 -14.179 564 H SER 77 H SER 77 -2.365 7.829 -10.908 565 HA SER 77 HA SER 77 -5.037 8.999 -10.653 566 HB2 SER 77 1HB SER 77 -4.548 6.152 -11.562 567 HB3 SER 77 2HB SER 77 -6.120 6.893 -11.266 568 HG SER 77 HG SER 77 -4.276 7.926 -13.147 569 H LEU 78 H LEU 78 -6.353 7.901 -8.995 570 HA LEU 78 HA LEU 78 -4.703 7.255 -6.702 571 HB2 LEU 78 1HB LEU 78 -7.696 7.517 -6.947 572 HB3 LEU 78 2HB LEU 78 -6.797 7.353 -5.441 573 HG LEU 78 HG LEU 78 -6.339 9.667 -7.301 574 HD11 LEU 78 1HD1 LEU 78 -8.354 9.511 -5.064 575 HD12 LEU 78 2HD1 LEU 78 -8.725 9.617 -6.784 576 HD13 LEU 78 3HD1 LEU 78 -7.920 10.960 -5.972 577 HD21 LEU 78 3HD2 LEU 78 -5.305 10.682 -5.478 578 HD22 LEU 78 1HD2 LEU 78 -4.776 9.003 -5.370 579 HD23 LEU 78 2HD2 LEU 78 -6.063 9.591 -4.317 580 H SER 79 H SER 79 -4.748 5.321 -8.825 581 HA SER 79 HA SER 79 -5.305 2.981 -7.275 582 HB2 SER 79 1HB SER 79 -6.931 1.965 -8.809 583 HB3 SER 79 2HB SER 79 -7.571 3.456 -8.118 584 HG SER 79 HG SER 79 -7.240 4.490 -10.030 585 H TYR 80 H TYR 80 -4.068 1.293 -7.919 586 HA TYR 80 HA TYR 80 -2.819 1.400 -10.570 587 HB2 TYR 80 1HB TYR 80 -1.147 2.380 -9.179 588 HB3 TYR 80 2HB TYR 80 -1.380 1.165 -7.927 589 HD1 TYR 80 2HD TYR 80 -0.636 -1.193 -8.364 590 HD2 TYR 80 1HD TYR 80 0.357 2.019 -10.971 591 HE1 TYR 80 2HE TYR 80 1.165 -2.552 -9.342 592 HE2 TYR 80 1HE TYR 80 2.160 0.669 -11.958 593 HH TYR 80 HH TYR 80 2.554 -2.713 -11.189 594 H THR 81 H THR 81 -2.359 -0.572 -11.483 595 HA THR 81 HA THR 81 -3.463 -2.898 -10.065 596 HB THR 81 HB THR 81 -2.870 -2.736 -13.019 597 HG1 THR 81 1HG THR 81 -5.024 -1.741 -11.534 598 HG21 THR 81 3HG2 THR 81 -4.029 -4.716 -11.201 599 HG22 THR 81 1HG2 THR 81 -3.334 -4.925 -12.808 600 HG23 THR 81 2HG2 THR 81 -5.009 -4.403 -12.633 601 H ALA 82 H ALA 82 -2.017 -4.188 -9.149 602 HA ALA 82 HA ALA 82 0.721 -4.265 -10.154 603 HB1 ALA 82 3HB ALA 82 -0.582 -5.243 -7.632 604 HB2 ALA 82 1HB ALA 82 1.062 -5.705 -8.075 605 HB3 ALA 82 2HB ALA 82 0.660 -4.005 -7.826 606 H THR 83 H THR 83 0.589 -5.489 -12.019 607 HA THR 83 HA THR 83 -0.558 -8.173 -11.846 608 HB THR 83 HB THR 83 -0.156 -8.282 -14.288 609 HG1 THR 83 1HG THR 83 1.391 -6.950 -14.903 610 HG21 THR 83 3HG2 THR 83 -1.842 -6.241 -12.980 611 HG22 THR 83 1HG2 THR 83 -2.291 -7.558 -14.063 612 HG23 THR 83 2HG2 THR 83 -1.626 -6.063 -14.721 613 H GLY 84 H GLY 84 0.625 -10.050 -12.374 614 HA2 GLY 84 1HA GLY 84 2.517 -11.361 -12.669 615 HA3 GLY 84 2HA GLY 84 3.471 -9.894 -12.833 616 H LEU 85 H LEU 85 1.431 -11.184 -10.211 617 HA LEU 85 HA LEU 85 3.726 -10.826 -8.401 618 HB2 LEU 85 1HB LEU 85 0.840 -10.988 -7.579 619 HB3 LEU 85 2HB LEU 85 2.213 -10.426 -6.627 620 HG LEU 85 HG LEU 85 1.298 -8.960 -9.084 621 HD11 LEU 85 1HD1 LEU 85 -0.671 -8.887 -7.870 622 HD12 LEU 85 2HD1 LEU 85 0.174 -7.442 -7.317 623 HD13 LEU 85 3HD1 LEU 85 0.164 -8.894 -6.316 624 HD21 LEU 85 3HD2 LEU 85 2.721 -8.005 -6.605 625 HD22 LEU 85 1HD2 LEU 85 2.454 -7.111 -8.102 626 HD23 LEU 85 2HD2 LEU 85 3.538 -8.503 -8.088 627 H LYS 86 H LYS 86 3.449 -12.297 -6.369 628 HA LYS 86 HA LYS 86 3.462 -15.015 -7.346 629 HB2 LYS 86 1HB LYS 86 5.133 -14.061 -5.699 630 HB3 LYS 86 2HB LYS 86 3.847 -14.082 -4.500 631 HG2 LYS 86 1HG LYS 86 3.632 -16.579 -5.089 632 HG3 LYS 86 2HG LYS 86 5.227 -16.385 -5.820 633 HD2 LYS 86 1HD LYS 86 4.775 -15.386 -3.046 634 HD3 LYS 86 2HD LYS 86 4.974 -17.120 -3.310 635 HE2 LYS 86 1HE LYS 86 7.138 -16.348 -2.874 636 HE3 LYS 86 2HE LYS 86 7.072 -16.491 -4.630 637 HZ1 LYS 86 3HZ LYS 86 6.222 -13.917 -3.856 638 HZ2 LYS 86 1HZ LYS 86 7.545 -14.351 -4.817 639 HZ3 LYS 86 2HZ LYS 86 7.719 -14.244 -3.138 640 HA PRO 87 HA PRO 87 -0.740 -15.866 -6.245 641 HB2 PRO 87 1HB PRO 87 -0.615 -18.566 -6.496 642 HB3 PRO 87 2HB PRO 87 -0.672 -17.474 -7.885 643 HG2 PRO 87 1HG PRO 87 1.687 -18.832 -6.639 644 HG3 PRO 87 2HG PRO 87 1.293 -18.626 -8.355 645 HD2 PRO 87 1HD PRO 87 3.093 -17.059 -7.075 646 HD3 PRO 87 2HD PRO 87 2.080 -16.460 -8.405 647 H ASN 88 H ASN 88 -1.939 -16.774 -4.539 648 HA ASN 88 HA ASN 88 -2.296 -17.192 -2.323 649 HB2 ASN 88 1HB ASN 88 -1.360 -19.277 -1.506 650 HB3 ASN 88 2HB ASN 88 -1.812 -19.465 -3.198 651 HD21 ASN 88 1HD2 ASN 88 -0.399 -20.557 -4.333 652 HD22 ASN 88 2HD2 ASN 88 1.311 -20.584 -4.089 653 H THR 89 H THR 89 -0.319 -15.146 -2.937 654 HA THR 89 HA THR 89 1.153 -15.216 -0.392 655 HB THR 89 HB THR 89 2.422 -13.841 -2.714 656 HG1 THR 89 1HG THR 89 1.941 -16.538 -2.577 657 HG21 THR 89 3HG2 THR 89 4.400 -14.152 -1.518 658 HG22 THR 89 1HG2 THR 89 3.747 -15.509 -0.602 659 HG23 THR 89 2HG2 THR 89 3.208 -13.867 -0.251 660 H MET 90 H MET 90 1.159 -13.343 0.754 661 HA MET 90 HA MET 90 -0.282 -11.070 -0.440 662 HB2 MET 90 1HB MET 90 -1.536 -11.949 1.395 663 HB3 MET 90 2HB MET 90 -0.107 -12.022 2.418 664 HG2 MET 90 1HG MET 90 0.011 -9.549 2.343 665 HG3 MET 90 2HG MET 90 -1.504 -9.544 1.443 666 HE1 MET 90 3HE MET 90 -0.953 -11.720 5.256 667 HE2 MET 90 1HE MET 90 0.317 -10.969 4.289 668 HE3 MET 90 2HE MET 90 -0.408 -10.085 5.631 669 H TYR 91 H TYR 91 0.434 -8.945 0.032 670 HA TYR 91 HA TYR 91 3.082 -8.679 1.244 671 HB2 TYR 91 1HB TYR 91 2.705 -7.132 -1.248 672 HB3 TYR 91 2HB TYR 91 4.152 -7.900 -0.606 673 HD1 TYR 91 1HD TYR 91 3.966 -10.592 -0.586 674 HD2 TYR 91 2HD TYR 91 1.870 -7.985 -3.216 675 HE1 TYR 91 1HE TYR 91 3.709 -12.433 -2.196 676 HE2 TYR 91 2HE TYR 91 1.606 -9.820 -4.832 677 HH TYR 91 HH TYR 91 1.903 -11.991 -5.218 678 H GLU 92 H GLU 92 3.680 -6.207 1.199 679 HA GLU 92 HA GLU 92 1.335 -4.802 2.263 680 HB2 GLU 92 1HB GLU 92 2.715 -3.703 3.725 681 HB3 GLU 92 2HB GLU 92 3.631 -5.189 3.516 682 HG2 GLU 92 1HG GLU 92 4.864 -3.938 1.651 683 HG3 GLU 92 2HG GLU 92 4.159 -2.483 2.353 684 H PHE 93 H PHE 93 0.455 -3.181 1.169 685 HA PHE 93 HA PHE 93 2.033 -1.929 -0.981 686 HB2 PHE 93 1HB PHE 93 -0.944 -2.410 -0.780 687 HB3 PHE 93 2HB PHE 93 -0.197 -1.414 -2.025 688 HD1 PHE 93 2HD PHE 93 -0.283 -4.846 -0.633 689 HD2 PHE 93 1HD PHE 93 0.683 -2.376 -3.962 690 HE1 PHE 93 2HE PHE 93 0.083 -6.851 -2.010 691 HE2 PHE 93 1HE PHE 93 1.050 -4.377 -5.345 692 HZ PHE 93 HZ PHE 93 0.751 -6.619 -4.369 693 H SER 94 H SER 94 2.275 0.233 -0.996 694 HA SER 94 HA SER 94 0.719 1.808 0.946 695 HB2 SER 94 1HB SER 94 3.119 1.322 1.655 696 HB3 SER 94 2HB SER 94 3.622 2.341 0.307 697 HG SER 94 HG SER 94 2.066 3.081 2.556 698 H VAL 95 H VAL 95 1.209 4.277 0.459 699 HA VAL 95 HA VAL 95 1.423 4.835 -2.383 700 HB VAL 95 HB VAL 95 -1.099 5.475 -0.848 701 HG11 VAL 95 1HG1 VAL 95 -0.245 7.267 -2.414 702 HG12 VAL 95 2HG1 VAL 95 -0.516 6.121 -3.728 703 HG13 VAL 95 3HG1 VAL 95 -1.871 6.666 -2.738 704 HG21 VAL 95 3HG2 VAL 95 -2.225 4.022 -2.378 705 HG22 VAL 95 1HG2 VAL 95 -0.757 3.801 -3.330 706 HG23 VAL 95 2HG2 VAL 95 -0.859 3.135 -1.701 707 H MET 96 H MET 96 1.955 6.961 -2.842 708 HA MET 96 HA MET 96 1.991 8.916 -0.689 709 HB2 MET 96 1HB MET 96 4.393 9.423 -1.046 710 HB3 MET 96 2HB MET 96 4.121 7.825 -0.365 711 HG2 MET 96 1HG MET 96 5.676 7.325 -1.944 712 HG3 MET 96 2HG MET 96 4.202 7.092 -2.882 713 HE1 MET 96 3HE MET 96 7.517 9.395 -2.568 714 HE2 MET 96 1HE MET 96 6.747 10.916 -3.023 715 HE3 MET 96 2HE MET 96 6.213 10.054 -1.579 716 H VAL 97 H VAL 97 3.208 10.989 -1.660 717 HA VAL 97 HA VAL 97 2.482 11.338 -4.475 718 HB VAL 97 HB VAL 97 0.518 12.094 -3.252 719 HG11 VAL 97 1HG1 VAL 97 2.555 13.477 -1.608 720 HG12 VAL 97 2HG1 VAL 97 1.032 14.325 -1.882 721 HG13 VAL 97 3HG1 VAL 97 1.031 12.728 -1.133 722 HG21 VAL 97 3HG2 VAL 97 0.340 14.318 -4.174 723 HG22 VAL 97 1HG2 VAL 97 2.096 14.451 -4.276 724 HG23 VAL 97 2HG2 VAL 97 1.238 13.293 -5.293 725 H THR 98 H THR 98 3.643 12.923 -5.555 726 HA THR 98 HA THR 98 5.792 14.223 -4.013 727 HB THR 98 HB THR 98 6.017 12.990 -6.765 728 HG1 THR 98 1HG THR 98 7.308 12.352 -4.301 729 HG21 THR 98 3HG2 THR 98 7.751 14.332 -7.147 730 HG22 THR 98 1HG2 THR 98 8.532 13.752 -5.676 731 HG23 THR 98 2HG2 THR 98 7.460 15.152 -5.613 732 H LYS 99 H LYS 99 5.090 16.286 -3.937 733 HA LYS 99 HA LYS 99 4.525 17.603 -6.511 734 HB2 LYS 99 1HB LYS 99 2.518 17.292 -4.973 735 HB3 LYS 99 2HB LYS 99 3.299 18.429 -3.883 736 HG2 LYS 99 1HG LYS 99 2.973 20.214 -5.287 737 HG3 LYS 99 2HG LYS 99 2.887 19.202 -6.730 738 HD2 LYS 99 1HD LYS 99 0.678 19.776 -6.480 739 HD3 LYS 99 2HD LYS 99 0.728 18.269 -5.562 740 HE2 LYS 99 1HE LYS 99 1.186 19.714 -3.519 741 HE3 LYS 99 2HE LYS 99 0.730 21.091 -4.522 742 HZ1 LYS 99 3HZ LYS 99 -0.930 18.991 -3.390 743 HZ2 LYS 99 1HZ LYS 99 -1.330 19.482 -4.959 744 HZ3 LYS 99 2HZ LYS 99 -1.297 20.613 -3.702 745 H ASN 100 H ASN 100 5.201 19.786 -6.706 746 HA ASN 100 HA ASN 100 6.653 21.520 -6.468 747 HB2 ASN 100 1HB ASN 100 6.334 20.763 -3.561 748 HB3 ASN 100 2HB ASN 100 7.261 22.162 -4.093 749 HD21 ASN 100 1HD2 ASN 100 6.207 23.953 -4.875 750 HD22 ASN 100 2HD2 ASN 100 4.498 24.167 -4.742 751 H ARG 101 H ARG 101 7.890 19.440 -7.461 752 HA ARG 101 HA ARG 101 9.811 18.181 -7.571 753 HB2 ARG 101 1HB ARG 101 11.791 19.531 -7.556 754 HB3 ARG 101 2HB ARG 101 10.474 20.515 -8.180 755 HG2 ARG 101 1HG ARG 101 10.998 20.666 -5.273 756 HG3 ARG 101 2HG ARG 101 12.194 21.391 -6.350 757 HD2 ARG 101 1HD ARG 101 9.284 21.971 -6.724 758 HD3 ARG 101 2HD ARG 101 10.202 22.819 -5.479 759 HE ARG 101 HE ARG 101 11.464 23.870 -7.154 760 HH11 ARG 101 1HH1 ARG 101 9.068 21.710 -8.463 761 HH12 ARG 101 2HH1 ARG 101 9.156 22.372 -10.062 762 HH21 ARG 101 1HH2 ARG 101 11.589 24.750 -9.255 763 HH22 ARG 101 2HH2 ARG 101 10.591 24.101 -10.511 764 H ARG 102 H ARG 102 8.451 17.713 -5.145 765 HA ARG 102 HA ARG 102 10.651 16.726 -3.554 766 HB2 ARG 102 1HB ARG 102 10.126 17.816 -1.522 767 HB3 ARG 102 2HB ARG 102 10.171 19.084 -2.739 768 HG2 ARG 102 1HG ARG 102 7.863 19.352 -2.727 769 HG3 ARG 102 2HG ARG 102 7.589 17.775 -1.985 770 HD2 ARG 102 1HD ARG 102 7.276 19.068 -0.146 771 HD3 ARG 102 2HD ARG 102 9.026 18.886 -0.041 772 HE ARG 102 HE ARG 102 7.556 21.288 -0.711 773 HH11 ARG 102 1HH1 ARG 102 10.627 19.648 -0.715 774 HH12 ARG 102 2HH1 ARG 102 11.554 21.108 -0.817 775 HH21 ARG 102 1HH2 ARG 102 8.765 23.217 -0.846 776 HH22 ARG 102 2HH2 ARG 102 10.494 23.137 -0.891 777 H SER 103 H SER 103 10.118 14.923 -2.390 778 HA SER 103 HA SER 103 7.435 13.861 -2.863 779 HB2 SER 103 1HB SER 103 8.414 11.686 -2.216 780 HB3 SER 103 2HB SER 103 9.317 12.443 -3.529 781 HG SER 103 HG SER 103 10.920 12.982 -2.115 782 H SER 104 H SER 104 6.239 12.837 -1.174 783 HA SER 104 HA SER 104 6.756 14.047 1.455 784 HB2 SER 104 1HB SER 104 4.427 13.995 1.871 785 HB3 SER 104 2HB SER 104 4.573 14.514 0.192 786 HG SER 104 HG SER 104 3.867 11.959 1.183 787 H THR 105 H THR 105 5.366 12.562 3.157 788 HA THR 105 HA THR 105 6.917 10.128 3.302 789 HB THR 105 HB THR 105 6.501 11.569 5.303 790 HG1 THR 105 1HG THR 105 5.457 8.932 5.581 791 HG21 THR 105 3HG2 THR 105 4.177 12.158 4.883 792 HG22 THR 105 1HG2 THR 105 4.326 11.353 6.444 793 HG23 THR 105 2HG2 THR 105 3.698 10.469 5.053 794 H TRP 106 H TRP 106 5.943 8.036 3.771 795 HA TRP 106 HA TRP 106 3.751 7.497 1.978 796 HB2 TRP 106 1HB TRP 106 5.335 5.653 3.780 797 HB3 TRP 106 2HB TRP 106 4.158 5.129 2.579 798 HD1 TRP 106 HD TRP 106 7.627 6.791 2.814 799 HE1 TRP 106 1HE TRP 106 8.857 6.406 0.587 800 HE3 TRP 106 3HE TRP 106 3.842 4.603 0.163 801 HZ2 TRP 106 2HZ TRP 106 8.298 5.319 -1.958 802 HZ3 TRP 106 3HZ TRP 106 4.272 3.921 -2.162 803 HH2 TRP 106 HH TRP 106 6.454 4.272 -3.198 804 H SER 107 H SER 107 1.822 6.350 2.576 805 HA SER 107 HA SER 107 0.858 7.155 5.223 806 HB2 SER 107 1HB SER 107 -0.483 7.927 3.337 807 HB3 SER 107 2HB SER 107 -0.656 6.272 2.753 808 HG SER 107 HG SER 107 -1.939 5.794 4.473 809 H MET 108 H MET 108 -0.934 5.584 6.066 810 HA MET 108 HA MET 108 0.216 3.314 7.047 811 HB2 MET 108 1HB MET 108 -2.133 2.458 7.380 812 HB3 MET 108 2HB MET 108 -1.827 4.074 8.001 813 HG2 MET 108 1HG MET 108 -3.229 5.056 6.534 814 HG3 MET 108 2HG MET 108 -2.854 3.915 5.244 815 HE1 MET 108 3HE MET 108 -5.428 1.267 5.389 816 HE2 MET 108 1HE MET 108 -5.044 2.633 4.341 817 HE3 MET 108 2HE MET 108 -3.747 1.636 5.000 818 H THR 109 H THR 109 0.796 1.395 6.269 819 HA THR 109 HA THR 109 0.390 0.770 3.502 820 HB THR 109 HB THR 109 1.550 -1.036 5.628 821 HG1 THR 109 1HG THR 109 3.182 0.476 3.931 822 HG21 THR 109 3HG2 THR 109 2.892 -1.755 3.523 823 HG22 THR 109 1HG2 THR 109 1.566 -1.009 2.632 824 HG23 THR 109 2HG2 THR 109 1.244 -2.348 3.735 825 H ALA 110 H ALA 110 -0.764 -0.940 2.610 826 HA ALA 110 HA ALA 110 -2.857 -2.059 4.355 827 HB1 ALA 110 3HB ALA 110 -3.198 -2.060 1.408 828 HB2 ALA 110 1HB ALA 110 -4.392 -1.845 2.689 829 HB3 ALA 110 2HB ALA 110 -3.321 -0.514 2.248 830 H HIS 111 H HIS 111 -3.626 -4.227 3.815 831 HA HIS 111 HA HIS 111 -1.490 -5.901 2.664 832 HB2 HIS 111 1HB HIS 111 -3.208 -6.305 5.094 833 HB3 HIS 111 2HB HIS 111 -2.528 -7.691 4.245 834 HD1 HIS 111 1HD HIS 111 0.280 -6.667 3.638 835 HD2 HIS 111 2HD HIS 111 -1.625 -6.133 7.291 836 HE1 HIS 111 1HE HIS 111 2.123 -6.314 5.313 837 HE2 HIS 111 2HE HIS 111 0.950 -6.079 7.529 838 H ALA 112 H ALA 112 -2.115 -7.742 1.479 839 HA ALA 112 HA ALA 112 -4.844 -8.415 1.016 840 HB1 ALA 112 3HB ALA 112 -3.918 -7.611 -1.582 841 HB2 ALA 112 1HB ALA 112 -5.392 -7.155 -0.726 842 HB3 ALA 112 2HB ALA 112 -3.905 -6.240 -0.472 843 H THR 113 H THR 113 -4.801 -10.526 0.658 844 HA THR 113 HA THR 113 -2.368 -11.757 -0.388 845 HB THR 113 HB THR 113 -4.769 -13.290 0.566 846 HG1 THR 113 1HG THR 113 -3.460 -11.525 2.034 847 HG21 THR 113 3HG2 THR 113 -3.211 -14.774 -0.285 848 HG22 THR 113 1HG2 THR 113 -2.758 -14.724 1.418 849 HG23 THR 113 2HG2 THR 113 -1.839 -13.795 0.234 850 H THR 114 H THR 114 -2.238 -12.805 -2.299 851 HA THR 114 HA THR 114 -4.339 -12.370 -4.219 852 HB THR 114 HB THR 114 -2.766 -13.616 -5.775 853 HG1 THR 114 1HG THR 114 -1.521 -14.789 -4.359 854 HG21 THR 114 3HG2 THR 114 -1.432 -11.726 -6.135 855 HG22 THR 114 1HG2 THR 114 -1.387 -11.316 -4.421 856 HG23 THR 114 2HG2 THR 114 -2.871 -11.081 -5.346 857 H TYR 115 H TYR 115 -5.239 -14.073 -5.561 858 HA TYR 115 HA TYR 115 -6.286 -16.206 -4.017 859 HB2 TYR 115 1HB TYR 115 -6.361 -15.729 -7.003 860 HB3 TYR 115 2HB TYR 115 -7.309 -16.947 -6.158 861 HD1 TYR 115 1HD TYR 115 -6.911 -13.369 -6.819 862 HD2 TYR 115 2HD TYR 115 -9.206 -16.312 -4.777 863 HE1 TYR 115 1HE TYR 115 -8.682 -11.707 -6.426 864 HE2 TYR 115 2HE TYR 115 -10.983 -14.660 -4.379 865 HH TYR 115 HH TYR 115 -10.614 -11.488 -4.544 866 H GLU 116 H GLU 116 -6.050 -18.475 -4.371 867 HA GLU 116 HA GLU 116 -3.327 -19.267 -4.729 868 HB2 GLU 116 1HB GLU 116 -5.275 -20.278 -3.236 869 HB3 GLU 116 2HB GLU 116 -5.530 -21.276 -4.660 870 HG2 GLU 116 1HG GLU 116 -3.086 -21.875 -4.534 871 HG3 GLU 116 2HG GLU 116 -3.065 -21.090 -2.956 872 H ALA 117 H ALA 117 -2.420 -19.448 -6.663 873 HA ALA 117 HA ALA 117 -3.561 -19.456 -9.129 874 HB1 ALA 117 3HB ALA 117 -1.039 -19.558 -8.313 875 HB2 ALA 117 1HB ALA 117 -1.214 -21.242 -8.808 876 HB3 ALA 117 2HB ALA 117 -1.504 -19.947 -9.969 877 H SER 118 H SER 118 -2.509 -22.437 -7.466 878 HA SER 118 HA SER 118 -3.377 -24.342 -9.179 879 HB2 SER 118 1HB SER 118 -2.301 -24.653 -6.882 880 HB3 SER 118 2HB SER 118 -3.934 -24.573 -6.221 881 HG SER 118 HG SER 118 -3.084 -26.405 -8.216 882 H GLY 119 H GLY 119 -5.429 -23.039 -6.560 883 HA2 GLY 119 1HA GLY 119 -7.699 -22.418 -7.852 884 HA3 GLY 119 2HA GLY 119 -7.792 -24.173 -7.806 885 HA PRO 120 HA PRO 120 -8.682 -22.001 -3.544 886 HB2 PRO 120 1HB PRO 120 -11.003 -20.639 -3.898 887 HB3 PRO 120 2HB PRO 120 -9.413 -19.889 -4.077 888 HG2 PRO 120 1HG PRO 120 -11.268 -20.921 -6.187 889 HG3 PRO 120 2HG PRO 120 -10.317 -19.425 -6.169 890 HD2 PRO 120 1HD PRO 120 -9.537 -21.629 -7.535 891 HD3 PRO 120 2HD PRO 120 -8.379 -20.500 -6.804 892 H SER 121 H SER 121 -10.388 -22.640 -2.077 893 HA SER 121 HA SER 121 -11.612 -25.116 -2.870 894 HB2 SER 121 1HB SER 121 -10.687 -24.959 -0.643 895 HB3 SER 121 2HB SER 121 -11.697 -23.561 -0.275 896 HG SER 121 HG SER 121 -12.408 -25.743 0.475 897 H SER 122 H SER 122 -12.843 -21.990 -1.687 898 HA SER 122 HA SER 122 -15.569 -22.723 -2.290 899 HB2 SER 122 1HB SER 122 -16.089 -20.409 -1.536 900 HB3 SER 122 2HB SER 122 -15.142 -21.313 -0.355 901 HG SER 122 HG SER 122 -13.576 -19.932 -0.581 902 H GLY 123 H GLY 123 -13.733 -19.827 -3.269 903 HA2 GLY 123 1HA GLY 123 -13.567 -20.016 -5.936 904 HA3 GLY 123 2HA GLY 123 -15.280 -19.687 -5.724
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