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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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606464 |
5lao ![]() ![]() |
34010 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 12.384 -10.217 -1.976 2 HA ALA 1 HA ALA 1 12.623 -8.270 -3.499 3 HB1 ALA 1 HB1 ALA 1 12.996 -9.564 -5.574 4 HB2 ALA 1 HB2 ALA 1 13.760 -10.332 -4.158 5 HB3 ALA 1 HB3 ALA 1 12.243 -10.986 -4.819 6 H LEU 2 H LEU 2 11.807 -7.101 -5.243 7 HA LEU 2 HA LEU 2 9.128 -6.482 -5.385 8 HB2 LEU 2 HB2 LEU 2 11.158 -6.479 -7.643 9 HB3 LEU 2 HB3 LEU 2 9.602 -5.663 -7.714 10 HG LEU 2 HG LEU 2 11.795 -5.001 -5.699 11 HD11 LEU 2 HD11 LEU 2 11.046 -3.814 -8.408 12 HD12 LEU 2 HD12 LEU 2 12.551 -4.584 -7.955 13 HD13 LEU 2 HD13 LEU 2 12.144 -3.033 -7.236 14 HD21 LEU 2 HD21 LEU 2 10.446 -2.909 -5.407 15 HD22 LEU 2 HD22 LEU 2 9.596 -4.364 -4.859 16 HD23 LEU 2 HD23 LEU 2 9.165 -3.634 -6.409 17 H THR 3 H THR 3 7.497 -7.940 -5.564 18 HA THR 3 HA THR 3 7.277 -9.584 -8.007 19 HB THR 3 HB THR 3 6.792 -10.531 -5.160 20 HG1 THR 3 HG1 THR 3 8.915 -10.475 -5.433 21 HG21 THR 3 HG21 THR 3 5.324 -11.740 -6.715 22 HG22 THR 3 HG22 THR 3 6.623 -12.789 -6.149 23 HG23 THR 3 HG23 THR 3 6.719 -12.088 -7.776 24 H THR 4 H THR 4 4.892 -10.098 -8.462 25 HA THR 4 HA THR 4 3.196 -7.912 -7.399 26 HB THR 4 HB THR 4 2.924 -9.378 -10.038 27 HG1 THR 4 HG1 THR 4 4.175 -7.990 -10.951 28 HG21 THR 4 HG21 THR 4 1.831 -6.692 -9.069 29 HG22 THR 4 HG22 THR 4 0.884 -8.183 -9.287 30 HG23 THR 4 HG23 THR 4 1.607 -7.387 -10.690 31 H ILE 5 H ILE 5 1.199 -8.465 -6.480 32 HA ILE 5 HA ILE 5 0.385 -11.294 -6.654 33 HB ILE 5 HB ILE 5 -0.023 -11.606 -4.444 34 HG12 ILE 5 HG12 ILE 5 -1.068 -9.613 -3.685 35 HG13 ILE 5 HG13 ILE 5 0.252 -10.015 -2.612 36 HG21 ILE 5 HG21 ILE 5 2.659 -10.172 -4.434 37 HG22 ILE 5 HG22 ILE 5 2.108 -11.486 -3.370 38 HG23 ILE 5 HG23 ILE 5 2.352 -11.805 -5.085 39 HD11 ILE 5 HD11 ILE 5 0.210 -7.808 -4.700 40 HD12 ILE 5 HD12 ILE 5 0.216 -7.639 -2.934 41 HD13 ILE 5 HD13 ILE 5 1.654 -8.246 -3.769 42 H SER 6 H SER 6 -1.845 -11.732 -6.167 43 HA SER 6 HA SER 6 -3.611 -10.151 -7.633 44 HB2 SER 6 HB2 SER 6 -4.152 -12.266 -5.504 45 HB3 SER 6 HB3 SER 6 -5.276 -11.816 -6.787 46 HG SER 6 HG SER 6 -3.661 -13.701 -6.983 47 HA PRO 7 HA PRO 7 -5.219 -7.149 -4.935 48 HB2 PRO 7 HB2 PRO 7 -7.914 -7.028 -5.496 49 HB3 PRO 7 HB3 PRO 7 -6.614 -6.446 -6.584 50 HG2 PRO 7 HG2 PRO 7 -8.040 -9.122 -6.642 51 HG3 PRO 7 HG3 PRO 7 -7.744 -7.993 -8.006 52 HD2 PRO 7 HD2 PRO 7 -6.125 -10.098 -7.572 53 HD3 PRO 7 HD3 PRO 7 -5.440 -8.530 -8.065 54 H HIS 8 H HIS 8 -6.002 -10.341 -4.291 55 HA HIS 8 HA HIS 8 -7.380 -9.688 -1.721 56 HB2 HIS 8 HB2 HIS 8 -8.720 -10.861 -3.420 57 HB3 HIS 8 HB3 HIS 8 -7.483 -12.102 -3.538 58 HD1 HIS 8 HD1 HIS 8 -7.510 -14.005 -1.750 59 HD2 HIS 8 HD2 HIS 8 -10.271 -10.869 -1.184 60 HE1 HIS 8 HE1 HIS 8 -9.216 -14.858 -0.060 61 H ASP 9 H ASP 9 -4.773 -11.465 -3.330 62 HA ASP 9 HA ASP 9 -3.859 -13.143 -1.282 63 HB2 ASP 9 HB2 ASP 9 -2.569 -11.778 -3.658 64 HB3 ASP 9 HB3 ASP 9 -1.527 -12.532 -2.456 65 H ALA 10 H ALA 10 -3.192 -9.716 -1.894 66 HA ALA 10 HA ALA 10 -1.107 -9.277 -0.077 67 HB1 ALA 10 HB1 ALA 10 -1.878 -7.582 -1.692 68 HB2 ALA 10 HB2 ALA 10 -3.403 -7.403 -0.798 69 HB3 ALA 10 HB3 ALA 10 -1.892 -6.918 -0.038 70 H GLN 11 H GLN 11 -4.644 -9.368 0.532 71 HA GLN 11 HA GLN 11 -4.712 -8.382 3.113 72 HB2 GLN 11 HB2 GLN 11 -6.607 -9.215 1.393 73 HB3 GLN 11 HB3 GLN 11 -6.517 -10.681 2.349 74 HG2 GLN 11 HG2 GLN 11 -6.565 -8.499 4.194 75 HG3 GLN 11 HG3 GLN 11 -7.651 -8.021 2.929 76 HE21 GLN 11 HE21 GLN 11 -7.950 -11.313 3.108 77 HE22 GLN 11 HE22 GLN 11 -9.239 -11.470 4.292 78 H GLU 12 H GLU 12 -4.393 -11.783 2.095 79 HA GLU 12 HA GLU 12 -4.083 -12.921 4.706 80 HB2 GLU 12 HB2 GLU 12 -4.725 -13.973 2.434 81 HB3 GLU 12 HB3 GLU 12 -2.986 -14.110 2.144 82 HG2 GLU 12 HG2 GLU 12 -2.764 -15.469 4.184 83 HG3 GLU 12 HG3 GLU 12 -4.443 -15.141 4.612 84 H LEU 13 H LEU 13 -1.750 -11.513 2.385 85 HA LEU 13 HA LEU 13 0.488 -12.551 3.899 86 HB2 LEU 13 HB2 LEU 13 0.336 -10.251 1.937 87 HB3 LEU 13 HB3 LEU 13 1.837 -10.862 2.640 88 HG LEU 13 HG LEU 13 -0.092 -12.605 1.025 89 HD11 LEU 13 HD11 LEU 13 1.471 -12.418 -0.815 90 HD12 LEU 13 HD12 LEU 13 2.523 -11.358 0.169 91 HD13 LEU 13 HD13 LEU 13 0.886 -10.813 -0.337 92 HD21 LEU 13 HD21 LEU 13 1.887 -14.121 0.836 93 HD22 LEU 13 HD22 LEU 13 1.277 -13.972 2.477 94 HD23 LEU 13 HD23 LEU 13 2.747 -13.098 2.013 95 H ILE 14 H ILE 14 -1.273 -9.450 3.981 96 HA ILE 14 HA ILE 14 0.286 -8.291 6.063 97 HB ILE 14 HB ILE 14 -2.644 -7.840 5.407 98 HG12 ILE 14 HG12 ILE 14 -0.534 -5.840 4.602 99 HG13 ILE 14 HG13 ILE 14 -0.530 -7.332 3.701 100 HG21 ILE 14 HG21 ILE 14 -2.147 -5.551 6.418 101 HG22 ILE 14 HG22 ILE 14 -2.211 -6.891 7.582 102 HG23 ILE 14 HG23 ILE 14 -0.646 -6.238 7.046 103 HD11 ILE 14 HD11 ILE 14 -2.972 -7.067 3.244 104 HD12 ILE 14 HD12 ILE 14 -2.908 -5.465 4.016 105 HD13 ILE 14 HD13 ILE 14 -1.966 -5.798 2.539 106 H ALA 15 H ALA 15 -2.612 -10.438 6.202 107 HA ALA 15 HA ALA 15 -2.881 -10.422 9.015 108 HB1 ALA 15 HB1 ALA 15 -4.087 -12.540 8.744 109 HB2 ALA 15 HB2 ALA 15 -4.588 -11.362 7.526 110 HB3 ALA 15 HB3 ALA 15 -3.498 -12.696 7.079 111 H ARG 16 H ARG 16 -0.922 -12.573 6.909 112 HA ARG 16 HA ARG 16 0.128 -14.193 9.022 113 HB2 ARG 16 HB2 ARG 16 1.365 -13.457 6.342 114 HB3 ARG 16 HB3 ARG 16 1.920 -14.759 7.388 115 HG2 ARG 16 HG2 ARG 16 -0.094 -16.061 7.006 116 HG3 ARG 16 HG3 ARG 16 -0.932 -14.750 6.321 117 HD2 ARG 16 HD2 ARG 16 0.617 -14.615 4.421 118 HD3 ARG 16 HD3 ARG 16 1.624 -15.895 5.117 119 HE ARG 16 HE ARG 16 -1.008 -16.872 4.918 120 HH11 ARG 16 HH11 ARG 16 1.719 -16.214 2.736 121 HH12 ARG 16 HH12 ARG 16 1.030 -17.099 1.429 122 HH21 ARG 16 HH21 ARG 16 -1.890 -17.965 3.268 123 HH22 ARG 16 HH22 ARG 16 -1.247 -17.998 1.681 124 H GLY 17 H GLY 17 1.057 -10.977 7.850 125 HA2 GLY 17 HA2 GLY 17 2.209 -9.936 10.018 126 HA3 GLY 17 HA3 GLY 17 3.530 -10.984 9.490 127 H ALA 18 H ALA 18 2.053 -9.936 6.632 128 HA ALA 18 HA ALA 18 4.249 -8.184 6.081 129 HB1 ALA 18 HB1 ALA 18 3.135 -9.716 4.389 130 HB2 ALA 18 HB2 ALA 18 1.762 -8.591 4.350 131 HB3 ALA 18 HB3 ALA 18 3.371 -8.053 3.838 132 H LYS 19 H LYS 19 3.141 -6.043 4.568 133 HA LYS 19 HA LYS 19 1.231 -4.664 6.284 134 HB2 LYS 19 HB2 LYS 19 4.094 -4.220 6.492 135 HB3 LYS 19 HB3 LYS 19 3.364 -2.762 5.837 136 HG2 LYS 19 HG2 LYS 19 2.365 -4.201 8.322 137 HG3 LYS 19 HG3 LYS 19 3.525 -2.885 8.376 138 HD2 LYS 19 HD2 LYS 19 1.869 -1.344 7.330 139 HD3 LYS 19 HD3 LYS 19 0.714 -2.694 7.179 140 HE2 LYS 19 HE2 LYS 19 1.014 -2.996 9.709 141 HE3 LYS 19 HE3 LYS 19 1.690 -1.364 9.718 142 HZ1 LYS 19 HZ1 LYS 19 -1.000 -2.080 8.643 143 HZ2 LYS 19 HZ2 LYS 19 -0.413 -0.561 8.843 144 HZ3 LYS 19 HZ3 LYS 19 -0.750 -1.486 10.127 145 H LEU 20 H LEU 20 0.654 -2.463 5.313 146 HA LEU 20 HA LEU 20 0.932 -2.482 2.370 147 HB2 LEU 20 HB2 LEU 20 -1.339 -3.245 3.599 148 HB3 LEU 20 HB3 LEU 20 -1.558 -1.562 3.816 149 HG LEU 20 HG LEU 20 -1.518 -1.130 1.411 150 HD11 LEU 20 HD11 LEU 20 -0.042 -2.800 0.488 151 HD12 LEU 20 HD12 LEU 20 -1.636 -3.095 -0.187 152 HD13 LEU 20 HD13 LEU 20 -1.042 -4.131 1.126 153 HD21 LEU 20 HD21 LEU 20 -3.361 -3.409 2.289 154 HD22 LEU 20 HD22 LEU 20 -3.623 -2.407 0.856 155 HD23 LEU 20 HD23 LEU 20 -3.669 -1.665 2.445 156 H ILE 21 H ILE 21 1.907 -0.636 1.738 157 HA ILE 21 HA ILE 21 1.669 1.783 3.475 158 HB ILE 21 HB ILE 21 3.960 0.573 1.963 159 HG12 ILE 21 HG12 ILE 21 5.255 1.299 3.867 160 HG13 ILE 21 HG13 ILE 21 3.925 2.257 4.503 161 HG21 ILE 21 HG21 ILE 21 5.122 2.866 2.081 162 HG22 ILE 21 HG22 ILE 21 3.926 2.650 0.810 163 HG23 ILE 21 HG23 ILE 21 3.501 3.565 2.243 164 HD11 ILE 21 HD11 ILE 21 4.430 0.010 5.645 165 HD12 ILE 21 HD12 ILE 21 2.748 0.336 5.247 166 HD13 ILE 21 HD13 ILE 21 3.725 -0.766 4.222 167 H ASP 22 H ASP 22 0.733 3.533 2.639 168 HA ASP 22 HA ASP 22 -0.326 3.324 -0.103 169 HB2 ASP 22 HB2 ASP 22 -1.886 3.808 1.806 170 HB3 ASP 22 HB3 ASP 22 -1.099 5.386 1.995 171 H ILE 23 H ILE 23 0.870 4.207 -1.625 172 HA ILE 23 HA ILE 23 2.534 6.550 -0.968 173 HB ILE 23 HB ILE 23 3.910 6.000 -2.793 174 HG12 ILE 23 HG12 ILE 23 2.061 3.653 -3.401 175 HG13 ILE 23 HG13 ILE 23 2.254 5.106 -4.384 176 HG21 ILE 23 HG21 ILE 23 4.163 4.807 -0.550 177 HG22 ILE 23 HG22 ILE 23 3.413 3.385 -1.311 178 HG23 ILE 23 HG23 ILE 23 4.952 4.024 -1.912 179 HD11 ILE 23 HD11 ILE 23 4.705 4.491 -4.659 180 HD12 ILE 23 HD12 ILE 23 4.316 2.925 -3.910 181 HD13 ILE 23 HD13 ILE 23 3.544 3.412 -5.422 182 H ARG 24 H ARG 24 -0.593 6.638 -1.785 183 HA ARG 24 HA ARG 24 -0.503 7.929 -4.364 184 HB2 ARG 24 HB2 ARG 24 -2.566 7.663 -2.205 185 HB3 ARG 24 HB3 ARG 24 -2.871 8.397 -3.763 186 HG2 ARG 24 HG2 ARG 24 -2.713 6.311 -4.886 187 HG3 ARG 24 HG3 ARG 24 -1.813 5.556 -3.550 188 HD2 ARG 24 HD2 ARG 24 -4.223 4.793 -3.705 189 HD3 ARG 24 HD3 ARG 24 -3.700 5.460 -2.145 190 HE ARG 24 HE ARG 24 -4.656 7.552 -3.603 191 HH11 ARG 24 HH11 ARG 24 -5.828 4.690 -1.841 192 HH12 ARG 24 HH12 ARG 24 -7.436 5.340 -1.604 193 HH21 ARG 24 HH21 ARG 24 -6.721 8.485 -3.059 194 HH22 ARG 24 HH22 ARG 24 -7.798 7.665 -1.969 195 H ASP 25 H ASP 25 -1.813 9.316 -1.265 196 HA ASP 25 HA ASP 25 -0.168 11.690 -1.320 197 HB2 ASP 25 HB2 ASP 25 -3.093 11.734 -2.192 198 HB3 ASP 25 HB3 ASP 25 -2.351 13.110 -1.399 199 H ALA 26 H ALA 26 -0.730 12.949 0.688 200 HA ALA 26 HA ALA 26 -1.614 11.153 2.818 201 HB1 ALA 26 HB1 ALA 26 -0.875 14.111 2.853 202 HB2 ALA 26 HB2 ALA 26 -1.141 13.099 4.281 203 HB3 ALA 26 HB3 ALA 26 0.219 12.754 3.205 204 H ASP 27 H ASP 27 -2.844 14.075 1.293 205 HA ASP 27 HA ASP 27 -5.111 14.471 2.945 206 HB2 ASP 27 HB2 ASP 27 -4.674 15.256 0.044 207 HB3 ASP 27 HB3 ASP 27 -5.936 15.897 1.094 208 H GLU 28 H GLU 28 -4.680 12.473 -0.007 209 HA GLU 28 HA GLU 28 -7.521 12.062 -0.376 210 HB2 GLU 28 HB2 GLU 28 -5.094 10.575 -1.463 211 HB3 GLU 28 HB3 GLU 28 -6.769 10.103 -1.762 212 HG2 GLU 28 HG2 GLU 28 -7.179 12.461 -2.642 213 HG3 GLU 28 HG3 GLU 28 -5.428 12.672 -2.641 214 H TYR 29 H TYR 29 -5.017 10.229 1.514 215 HA TYR 29 HA TYR 29 -6.778 8.030 1.934 216 HB2 TYR 29 HB2 TYR 29 -4.033 8.616 2.272 217 HB3 TYR 29 HB3 TYR 29 -4.615 8.467 3.889 218 HD1 TYR 29 HD1 TYR 29 -3.652 6.333 4.551 219 HD2 TYR 29 HD2 TYR 29 -5.686 6.620 0.753 220 HE1 TYR 29 HE1 TYR 29 -3.477 3.882 4.256 221 HE2 TYR 29 HE2 TYR 29 -5.613 4.188 0.518 222 HH TYR 29 HH TYR 29 -4.581 2.184 1.333 223 H LEU 30 H LEU 30 -6.440 11.141 3.470 224 HA LEU 30 HA LEU 30 -7.520 10.671 5.994 225 HB2 LEU 30 HB2 LEU 30 -6.542 12.766 4.799 226 HB3 LEU 30 HB3 LEU 30 -8.177 13.103 4.275 227 HG LEU 30 HG LEU 30 -7.381 12.793 7.210 228 HD11 LEU 30 HD11 LEU 30 -7.588 15.331 5.531 229 HD12 LEU 30 HD12 LEU 30 -6.093 14.613 6.174 230 HD13 LEU 30 HD13 LEU 30 -7.306 15.255 7.287 231 HD21 LEU 30 HD21 LEU 30 -9.775 12.616 7.006 232 HD22 LEU 30 HD22 LEU 30 -9.843 13.942 5.819 233 HD23 LEU 30 HD23 LEU 30 -9.447 14.261 7.521 234 H ARG 31 H ARG 31 -9.174 11.115 2.896 235 HA ARG 31 HA ARG 31 -11.827 11.138 4.050 236 HB2 ARG 31 HB2 ARG 31 -10.855 10.876 1.173 237 HB3 ARG 31 HB3 ARG 31 -12.554 10.657 1.621 238 HG2 ARG 31 HG2 ARG 31 -12.294 12.891 2.905 239 HG3 ARG 31 HG3 ARG 31 -10.880 13.164 1.869 240 HD2 ARG 31 HD2 ARG 31 -12.292 12.916 -0.133 241 HD3 ARG 31 HD3 ARG 31 -13.690 12.473 0.874 242 HE ARG 31 HE ARG 31 -12.613 15.028 1.633 243 HH11 ARG 31 HH11 ARG 31 -14.726 13.507 -0.826 244 HH12 ARG 31 HH12 ARG 31 -15.302 15.048 -1.390 245 HH21 ARG 31 HH21 ARG 31 -13.600 16.922 1.051 246 HH22 ARG 31 HH22 ARG 31 -14.801 17.017 -0.204 247 H GLU 32 H GLU 32 -10.427 8.655 1.916 248 HA GLU 32 HA GLU 32 -11.834 6.554 3.461 249 HB2 GLU 32 HB2 GLU 32 -12.666 5.496 1.383 250 HB3 GLU 32 HB3 GLU 32 -13.464 6.973 1.879 251 HG2 GLU 32 HG2 GLU 32 -11.799 8.092 0.101 252 HG3 GLU 32 HG3 GLU 32 -11.753 6.463 -0.538 253 H HIS 33 H HIS 33 -10.177 5.403 4.183 254 HA HIS 33 HA HIS 33 -8.168 4.452 2.207 255 HB2 HIS 33 HB2 HIS 33 -6.485 4.607 3.861 256 HB3 HIS 33 HB3 HIS 33 -7.239 6.160 3.680 257 HD1 HIS 33 HD1 HIS 33 -6.495 3.407 6.239 258 HD2 HIS 33 HD2 HIS 33 -8.772 6.962 5.902 259 HE1 HIS 33 HE1 HIS 33 -7.086 4.130 8.606 260 H ILE 34 H ILE 34 -6.789 2.592 3.537 261 HA ILE 34 HA ILE 34 -8.797 0.502 4.133 262 HB ILE 34 HB ILE 34 -5.882 0.419 3.256 263 HG12 ILE 34 HG12 ILE 34 -8.400 -0.633 1.896 264 HG13 ILE 34 HG13 ILE 34 -7.804 0.987 1.591 265 HG21 ILE 34 HG21 ILE 34 -7.695 -1.975 3.804 266 HG22 ILE 34 HG22 ILE 34 -6.046 -2.029 3.175 267 HG23 ILE 34 HG23 ILE 34 -6.319 -1.480 4.803 268 HD11 ILE 34 HD11 ILE 34 -6.029 -1.425 1.134 269 HD12 ILE 34 HD12 ILE 34 -7.078 -0.714 -0.080 270 HD13 ILE 34 HD13 ILE 34 -5.804 0.275 0.650 271 HA PRO 35 HA PRO 35 -7.530 0.805 8.417 272 HB2 PRO 35 HB2 PRO 35 -8.371 -1.637 9.374 273 HB3 PRO 35 HB3 PRO 35 -9.486 -0.293 8.977 274 HG2 PRO 35 HG2 PRO 35 -8.730 -2.688 7.267 275 HG3 PRO 35 HG3 PRO 35 -10.370 -2.026 7.586 276 HD2 PRO 35 HD2 PRO 35 -8.977 -1.470 5.340 277 HD3 PRO 35 HD3 PRO 35 -9.979 -0.223 6.085 278 H GLU 36 H GLU 36 -6.613 -2.063 6.560 279 HA GLU 36 HA GLU 36 -4.687 -3.166 8.307 280 HB2 GLU 36 HB2 GLU 36 -4.744 -3.376 5.291 281 HB3 GLU 36 HB3 GLU 36 -3.912 -4.442 6.395 282 HG2 GLU 36 HG2 GLU 36 -6.885 -4.058 6.554 283 HG3 GLU 36 HG3 GLU 36 -6.134 -5.206 5.431 284 H ALA 37 H ALA 37 -4.568 -0.506 6.066 285 HA ALA 37 HA ALA 37 -1.635 -0.441 5.803 286 HB1 ALA 37 HB1 ALA 37 -3.220 -0.028 3.825 287 HB2 ALA 37 HB2 ALA 37 -3.782 1.418 4.670 288 HB3 ALA 37 HB3 ALA 37 -2.092 1.298 4.137 289 H ASP 38 H ASP 38 -0.776 1.816 5.860 290 HA ASP 38 HA ASP 38 -1.832 3.306 8.273 291 HB2 ASP 38 HB2 ASP 38 0.317 2.204 8.823 292 HB3 ASP 38 HB3 ASP 38 1.098 3.100 7.528 293 H LEU 39 H LEU 39 0.793 4.575 6.399 294 HA LEU 39 HA LEU 39 -0.383 5.777 4.189 295 HB2 LEU 39 HB2 LEU 39 -1.784 7.108 5.754 296 HB3 LEU 39 HB3 LEU 39 -0.352 7.524 6.695 297 HG LEU 39 HG LEU 39 0.529 8.856 4.845 298 HD11 LEU 39 HD11 LEU 39 -2.007 8.064 3.336 299 HD12 LEU 39 HD12 LEU 39 -0.373 7.566 2.893 300 HD13 LEU 39 HD13 LEU 39 -0.813 9.249 2.788 301 HD21 LEU 39 HD21 LEU 39 -2.393 9.535 5.364 302 HD22 LEU 39 HD22 LEU 39 -1.085 10.658 4.932 303 HD23 LEU 39 HD23 LEU 39 -1.062 9.844 6.495 304 H ALA 40 H ALA 40 1.421 6.641 3.028 305 HA ALA 40 HA ALA 40 3.706 7.806 4.231 306 HB1 ALA 40 HB1 ALA 40 4.673 5.921 5.019 307 HB2 ALA 40 HB2 ALA 40 3.835 4.851 3.894 308 HB3 ALA 40 HB3 ALA 40 5.237 5.787 3.342 309 HA PRO 41 HA PRO 41 2.647 8.408 -0.232 310 HB2 PRO 41 HB2 PRO 41 3.020 11.150 -0.288 311 HB3 PRO 41 HB3 PRO 41 1.480 10.311 0.082 312 HG2 PRO 41 HG2 PRO 41 3.506 11.452 1.993 313 HG3 PRO 41 HG3 PRO 41 1.723 11.545 2.075 314 HD2 PRO 41 HD2 PRO 41 3.179 9.762 3.544 315 HD3 PRO 41 HD3 PRO 41 1.569 9.335 2.906 316 H LEU 42 H LEU 42 4.046 8.798 -1.960 317 HA LEU 42 HA LEU 42 6.718 8.116 -1.620 318 HB2 LEU 42 HB2 LEU 42 5.052 8.541 -3.782 319 HB3 LEU 42 HB3 LEU 42 6.157 9.859 -3.961 320 HG LEU 42 HG LEU 42 7.317 8.442 -5.222 321 HD11 LEU 42 HD11 LEU 42 9.163 7.311 -4.241 322 HD12 LEU 42 HD12 LEU 42 8.339 7.112 -2.686 323 HD13 LEU 42 HD13 LEU 42 8.848 8.713 -3.232 324 HD21 LEU 42 HD21 LEU 42 6.263 6.089 -3.612 325 HD22 LEU 42 HD22 LEU 42 7.193 6.006 -5.132 326 HD23 LEU 42 HD23 LEU 42 5.579 6.720 -5.134 327 H SER 43 H SER 43 5.165 11.287 -1.719 328 HA SER 43 HA SER 43 7.369 12.958 -2.034 329 HB2 SER 43 HB2 SER 43 4.842 13.507 -1.859 330 HB3 SER 43 HB3 SER 43 5.071 13.527 -0.101 331 HG SER 43 HG SER 43 5.889 15.443 -0.312 332 H VAL 44 H VAL 44 6.232 11.300 0.907 333 HA VAL 44 HA VAL 44 8.178 12.581 2.689 334 HB VAL 44 HB VAL 44 6.210 10.268 2.969 335 HG11 VAL 44 HG11 VAL 44 7.917 11.450 5.183 336 HG12 VAL 44 HG12 VAL 44 6.565 10.327 5.394 337 HG13 VAL 44 HG13 VAL 44 8.028 9.796 4.551 338 HG21 VAL 44 HG21 VAL 44 5.277 12.585 2.764 339 HG22 VAL 44 HG22 VAL 44 4.978 11.877 4.356 340 HG23 VAL 44 HG23 VAL 44 6.274 13.072 4.136 341 H LEU 45 H LEU 45 7.853 9.475 1.006 342 HA LEU 45 HA LEU 45 10.148 8.195 2.094 343 HB2 LEU 45 HB2 LEU 45 8.396 7.877 -0.328 344 HB3 LEU 45 HB3 LEU 45 9.890 7.021 -0.307 345 HG LEU 45 HG LEU 45 7.722 5.864 0.611 346 HD11 LEU 45 HD11 LEU 45 9.996 4.922 0.763 347 HD12 LEU 45 HD12 LEU 45 9.064 4.550 2.236 348 HD13 LEU 45 HD13 LEU 45 10.279 5.838 2.246 349 HD21 LEU 45 HD21 LEU 45 7.333 6.008 3.006 350 HD22 LEU 45 HD22 LEU 45 6.889 7.502 2.159 351 HD23 LEU 45 HD23 LEU 45 8.378 7.415 3.136 352 H GLU 46 H GLU 46 9.749 10.127 -0.836 353 HA GLU 46 HA GLU 46 12.416 9.896 -1.756 354 HB2 GLU 46 HB2 GLU 46 10.176 11.840 -2.248 355 HB3 GLU 46 HB3 GLU 46 11.765 12.212 -2.873 356 HG2 GLU 46 HG2 GLU 46 10.915 9.385 -3.341 357 HG3 GLU 46 HG3 GLU 46 9.852 10.558 -4.092 358 H GLN 47 H GLN 47 10.953 11.942 0.706 359 HA GLN 47 HA GLN 47 13.317 13.669 1.006 360 HB2 GLN 47 HB2 GLN 47 10.558 13.637 2.292 361 HB3 GLN 47 HB3 GLN 47 11.866 14.685 2.855 362 HG2 GLN 47 HG2 GLN 47 12.030 15.784 0.694 363 HG3 GLN 47 HG3 GLN 47 10.839 14.687 -0.007 364 HE21 GLN 47 HE21 GLN 47 8.630 14.864 0.691 365 HE22 GLN 47 HE22 GLN 47 7.971 16.296 1.454 366 H SER 48 H SER 48 11.442 12.357 3.693 367 HA SER 48 HA SER 48 13.838 11.835 5.243 368 HB2 SER 48 HB2 SER 48 11.623 12.699 6.097 369 HB3 SER 48 HB3 SER 48 10.943 11.083 5.813 370 HG SER 48 HG SER 48 13.136 11.780 7.500 371 H GLY 49 H GLY 49 11.639 9.763 3.376 372 HA2 GLY 49 HA2 GLY 49 12.260 7.533 2.700 373 HA3 GLY 49 HA3 GLY 49 13.393 7.430 4.030 374 H LEU 50 H LEU 50 12.286 5.330 4.311 375 HA LEU 50 HA LEU 50 9.523 5.215 5.114 376 HB2 LEU 50 HB2 LEU 50 10.841 3.396 3.955 377 HB3 LEU 50 HB3 LEU 50 11.782 3.213 5.434 378 HG LEU 50 HG LEU 50 9.505 2.780 6.617 379 HD11 LEU 50 HD11 LEU 50 8.618 2.196 3.757 380 HD12 LEU 50 HD12 LEU 50 8.033 3.564 4.726 381 HD13 LEU 50 HD13 LEU 50 7.706 1.909 5.252 382 HD21 LEU 50 HD21 LEU 50 10.529 0.809 4.531 383 HD22 LEU 50 HD22 LEU 50 9.601 0.421 5.973 384 HD23 LEU 50 HD23 LEU 50 11.237 1.070 6.135 385 HA PRO 51 HA PRO 51 10.438 6.191 9.428 386 HB2 PRO 51 HB2 PRO 51 7.993 5.732 10.578 387 HB3 PRO 51 HB3 PRO 51 8.313 7.134 9.507 388 HG2 PRO 51 HG2 PRO 51 6.966 4.528 8.854 389 HG3 PRO 51 HG3 PRO 51 6.504 6.175 8.330 390 HD2 PRO 51 HD2 PRO 51 7.966 4.357 6.800 391 HD3 PRO 51 HD3 PRO 51 8.058 6.121 6.568 392 H ALA 52 H ALA 52 10.855 5.035 11.407 393 HA ALA 52 HA ALA 52 11.495 2.330 11.128 394 HB1 ALA 52 HB1 ALA 52 12.218 2.475 13.416 395 HB2 ALA 52 HB2 ALA 52 12.551 4.031 12.650 396 HB3 ALA 52 HB3 ALA 52 11.146 3.860 13.738 397 H LYS 53 H LYS 53 8.360 3.298 11.392 398 HA LYS 53 HA LYS 53 7.479 0.971 13.066 399 HB2 LYS 53 HB2 LYS 53 5.764 3.238 12.029 400 HB3 LYS 53 HB3 LYS 53 5.350 2.037 13.241 401 HG2 LYS 53 HG2 LYS 53 7.343 4.330 13.547 402 HG3 LYS 53 HG3 LYS 53 5.774 4.147 14.328 403 HD2 LYS 53 HD2 LYS 53 6.690 1.995 15.391 404 HD3 LYS 53 HD3 LYS 53 8.292 2.489 14.803 405 HE2 LYS 53 HE2 LYS 53 7.988 4.681 15.995 406 HE3 LYS 53 HE3 LYS 53 6.461 4.057 16.649 407 HZ1 LYS 53 HZ1 LYS 53 9.188 3.079 17.168 408 HZ2 LYS 53 HZ2 LYS 53 7.864 2.199 17.581 409 HZ3 LYS 53 HZ3 LYS 53 8.141 3.692 18.249 410 H LEU 54 H LEU 54 7.293 2.449 9.829 411 HA LEU 54 HA LEU 54 5.541 0.258 8.891 412 HB2 LEU 54 HB2 LEU 54 6.540 2.756 7.494 413 HB3 LEU 54 HB3 LEU 54 5.424 1.591 6.812 414 HG LEU 54 HG LEU 54 4.897 3.285 9.284 415 HD11 LEU 54 HD11 LEU 54 3.593 3.366 6.529 416 HD12 LEU 54 HD12 LEU 54 4.833 4.501 7.106 417 HD13 LEU 54 HD13 LEU 54 3.269 4.439 7.907 418 HD21 LEU 54 HD21 LEU 54 3.770 1.100 9.533 419 HD22 LEU 54 HD22 LEU 54 3.077 1.257 7.899 420 HD23 LEU 54 HD23 LEU 54 2.629 2.355 9.227 421 H ARG 55 H ARG 55 8.257 -0.278 9.742 422 HA ARG 55 HA ARG 55 9.395 -1.357 7.215 423 HB2 ARG 55 HB2 ARG 55 11.531 -1.327 8.246 424 HB3 ARG 55 HB3 ARG 55 10.836 0.294 8.310 425 HG2 ARG 55 HG2 ARG 55 10.633 0.342 10.537 426 HG3 ARG 55 HG3 ARG 55 10.334 -1.392 10.722 427 HD2 ARG 55 HD2 ARG 55 12.637 -1.938 10.452 428 HD3 ARG 55 HD3 ARG 55 13.017 -0.353 9.771 429 HE ARG 55 HE ARG 55 13.453 0.470 11.772 430 HH11 ARG 55 HH11 ARG 55 11.330 -2.296 12.356 431 HH12 ARG 55 HH12 ARG 55 11.840 -2.576 13.976 432 HH21 ARG 55 HH21 ARG 55 14.321 -0.002 13.867 433 HH22 ARG 55 HH22 ARG 55 13.568 -1.149 14.882 434 H HIS 56 H HIS 56 7.302 -2.722 8.217 435 HA HIS 56 HA HIS 56 7.939 -4.943 9.961 436 HB2 HIS 56 HB2 HIS 56 5.900 -4.470 7.763 437 HB3 HIS 56 HB3 HIS 56 6.132 -6.090 8.307 438 HD1 HIS 56 HD1 HIS 56 3.675 -6.251 9.240 439 HD2 HIS 56 HD2 HIS 56 6.231 -3.399 11.040 440 HE1 HIS 56 HE1 HIS 56 2.479 -5.423 11.316 441 H GLU 57 H GLU 57 8.401 -7.145 9.241 442 HA GLU 57 HA GLU 57 10.701 -7.438 7.745 443 HB2 GLU 57 HB2 GLU 57 8.446 -9.380 8.329 444 HB3 GLU 57 HB3 GLU 57 9.995 -9.898 7.644 445 HG2 GLU 57 HG2 GLU 57 11.203 -9.392 9.589 446 HG3 GLU 57 HG3 GLU 57 10.009 -8.255 10.190 447 H GLN 58 H GLN 58 7.364 -7.568 6.467 448 HA GLN 58 HA GLN 58 8.445 -7.364 3.743 449 HB2 GLN 58 HB2 GLN 58 6.232 -9.347 4.457 450 HB3 GLN 58 HB3 GLN 58 7.016 -9.110 2.892 451 HG2 GLN 58 HG2 GLN 58 9.200 -9.886 4.044 452 HG3 GLN 58 HG3 GLN 58 8.202 -10.339 5.412 453 HE21 GLN 58 HE21 GLN 58 8.098 -12.551 5.387 454 HE22 GLN 58 HE22 GLN 58 7.836 -13.541 3.967 455 H ILE 59 H ILE 59 7.230 -5.986 2.473 456 HA ILE 59 HA ILE 59 4.622 -5.147 3.546 457 HB ILE 59 HB ILE 59 5.071 -2.940 3.623 458 HG12 ILE 59 HG12 ILE 59 7.628 -3.317 2.048 459 HG13 ILE 59 HG13 ILE 59 6.131 -2.623 1.435 460 HG21 ILE 59 HG21 ILE 59 6.230 -4.138 5.475 461 HG22 ILE 59 HG22 ILE 59 7.751 -4.010 4.575 462 HG23 ILE 59 HG23 ILE 59 6.933 -2.553 5.129 463 HD11 ILE 59 HD11 ILE 59 6.252 -0.791 3.063 464 HD12 ILE 59 HD12 ILE 59 7.870 -1.370 3.574 465 HD13 ILE 59 HD13 ILE 59 7.620 -0.823 1.921 466 H ILE 60 H ILE 60 3.484 -3.787 1.919 467 HA ILE 60 HA ILE 60 4.067 -4.572 -0.879 468 HB ILE 60 HB ILE 60 1.416 -4.710 0.612 469 HG12 ILE 60 HG12 ILE 60 2.574 -7.162 -0.668 470 HG13 ILE 60 HG13 ILE 60 3.295 -6.693 0.850 471 HG21 ILE 60 HG21 ILE 60 0.541 -5.766 -1.465 472 HG22 ILE 60 HG22 ILE 60 1.057 -4.100 -1.736 473 HG23 ILE 60 HG23 ILE 60 2.092 -5.443 -2.273 474 HD11 ILE 60 HD11 ILE 60 0.358 -7.252 0.437 475 HD12 ILE 60 HD12 ILE 60 1.561 -8.277 1.252 476 HD13 ILE 60 HD13 ILE 60 1.116 -6.706 1.959 477 H PHE 61 H PHE 61 3.378 -3.016 -2.381 478 HA PHE 61 HA PHE 61 2.572 -0.354 -1.292 479 HB2 PHE 61 HB2 PHE 61 4.303 -1.048 -3.709 480 HB3 PHE 61 HB3 PHE 61 3.771 0.568 -3.267 481 HD1 PHE 61 HD1 PHE 61 4.230 0.862 -0.468 482 HD2 PHE 61 HD2 PHE 61 6.682 -1.116 -3.422 483 HE1 PHE 61 HE1 PHE 61 6.250 1.246 0.914 484 HE2 PHE 61 HE2 PHE 61 8.680 -0.662 -2.053 485 HZ PHE 61 HZ PHE 61 8.434 0.516 0.128 486 H HIS 62 H HIS 62 0.902 0.672 -2.283 487 HA HIS 62 HA HIS 62 -0.232 -0.374 -4.785 488 HB2 HIS 62 HB2 HIS 62 -2.466 -0.545 -3.906 489 HB3 HIS 62 HB3 HIS 62 -1.401 -1.615 -3.008 490 HD1 HIS 62 HD1 HIS 62 -0.953 1.737 -1.508 491 HD2 HIS 62 HD2 HIS 62 -3.830 -1.386 -1.383 492 HE1 HIS 62 HE1 HIS 62 -2.281 2.039 0.623 493 H CYS 63 H CYS 63 -1.634 1.159 -5.804 494 HA CYS 63 HA CYS 63 -1.506 3.954 -4.858 495 HB2 CYS 63 HB2 CYS 63 -1.043 3.039 -7.735 496 HB3 CYS 63 HB3 CYS 63 -1.179 4.709 -7.185 497 HG CYS 63 HG CYS 63 1.164 2.486 -6.744 498 H GLN 64 H GLN 64 -3.136 5.110 -6.741 499 HA GLN 64 HA GLN 64 -5.731 4.385 -6.094 500 HB2 GLN 64 HB2 GLN 64 -6.440 5.851 -7.838 501 HB3 GLN 64 HB3 GLN 64 -5.076 6.536 -6.980 502 HG2 GLN 64 HG2 GLN 64 -5.070 5.368 -9.783 503 HG3 GLN 64 HG3 GLN 64 -4.879 7.040 -9.312 504 HE21 GLN 64 HE21 GLN 64 -2.877 7.657 -8.153 505 HE22 GLN 64 HE22 GLN 64 -1.472 6.829 -8.765 506 H ALA 65 H ALA 65 -3.882 3.536 -8.983 507 HA ALA 65 HA ALA 65 -5.517 1.116 -9.543 508 HB1 ALA 65 HB1 ALA 65 -4.526 3.224 -11.525 509 HB2 ALA 65 HB2 ALA 65 -5.274 1.670 -11.937 510 HB3 ALA 65 HB3 ALA 65 -6.219 2.907 -11.076 511 H GLY 66 H GLY 66 -2.393 2.858 -9.563 512 HA2 GLY 66 HA2 GLY 66 -0.575 1.258 -8.964 513 HA3 GLY 66 HA3 GLY 66 -1.084 0.256 -10.298 514 H LYS 67 H LYS 67 -1.234 3.487 -11.382 515 HA LYS 67 HA LYS 67 1.026 3.006 -13.096 516 HB2 LYS 67 HB2 LYS 67 -0.553 5.572 -12.735 517 HB3 LYS 67 HB3 LYS 67 0.539 5.193 -14.066 518 HG2 LYS 67 HG2 LYS 67 -2.100 3.813 -13.433 519 HG3 LYS 67 HG3 LYS 67 -1.734 4.869 -14.793 520 HD2 LYS 67 HD2 LYS 67 -0.084 3.169 -15.641 521 HD3 LYS 67 HD3 LYS 67 -0.546 2.097 -14.303 522 HE2 LYS 67 HE2 LYS 67 -2.939 2.281 -15.103 523 HE3 LYS 67 HE3 LYS 67 -2.327 3.097 -16.553 524 HZ1 LYS 67 HZ1 LYS 67 -0.942 1.016 -16.886 525 HZ2 LYS 67 HZ2 LYS 67 -2.579 0.830 -17.015 526 HZ3 LYS 67 HZ3 LYS 67 -1.806 0.329 -15.667 527 H ARG 68 H ARG 68 1.341 3.815 -9.945 528 HA ARG 68 HA ARG 68 3.928 5.182 -10.525 529 HB2 ARG 68 HB2 ARG 68 1.760 6.033 -8.609 530 HB3 ARG 68 HB3 ARG 68 3.445 6.298 -8.167 531 HG2 ARG 68 HG2 ARG 68 3.739 7.353 -10.508 532 HG3 ARG 68 HG3 ARG 68 1.984 7.416 -10.586 533 HD2 ARG 68 HD2 ARG 68 3.640 8.579 -8.293 534 HD3 ARG 68 HD3 ARG 68 3.220 9.488 -9.733 535 HE ARG 68 HE ARG 68 1.266 8.331 -7.768 536 HH11 ARG 68 HH11 ARG 68 2.086 10.853 -10.113 537 HH12 ARG 68 HH12 ARG 68 0.682 11.812 -9.844 538 HH21 ARG 68 HH21 ARG 68 -0.700 9.551 -7.460 539 HH22 ARG 68 HH22 ARG 68 -0.915 11.063 -8.228 540 H THR 69 H THR 69 2.526 2.422 -9.116 541 HA THR 69 HA THR 69 4.286 2.087 -6.926 542 HB THR 69 HB THR 69 3.077 -0.367 -7.890 543 HG1 THR 69 HG1 THR 69 1.022 0.215 -8.037 544 HG21 THR 69 HG21 THR 69 2.237 1.486 -5.609 545 HG22 THR 69 HG22 THR 69 3.385 0.150 -5.502 546 HG23 THR 69 HG23 THR 69 1.709 -0.189 -5.877 547 H SER 70 H SER 70 4.103 -0.203 -9.751 548 HA SER 70 HA SER 70 6.724 -1.135 -9.368 549 HB2 SER 70 HB2 SER 70 6.500 -1.892 -11.810 550 HB3 SER 70 HB3 SER 70 5.397 -2.558 -10.609 551 HG SER 70 HG SER 70 3.762 -1.222 -11.336 552 H ASN 71 H ASN 71 5.546 1.549 -10.992 553 HA ASN 71 HA ASN 71 7.484 2.487 -12.780 554 HB2 ASN 71 HB2 ASN 71 5.336 3.523 -12.323 555 HB3 ASN 71 HB3 ASN 71 5.887 4.075 -10.748 556 HD21 ASN 71 HD21 ASN 71 7.653 5.821 -10.698 557 HD22 ASN 71 HD22 ASN 71 7.571 6.955 -12.005 558 H ASN 72 H ASN 72 7.767 2.633 -9.243 559 HA ASN 72 HA ASN 72 10.499 3.793 -9.582 560 HB2 ASN 72 HB2 ASN 72 8.296 4.800 -7.767 561 HB3 ASN 72 HB3 ASN 72 9.957 4.835 -7.187 562 HD21 ASN 72 HD21 ASN 72 7.953 7.030 -8.237 563 HD22 ASN 72 HD22 ASN 72 9.076 7.992 -9.185 564 H ALA 73 H ALA 73 9.183 1.062 -9.137 565 HA ALA 73 HA ALA 73 9.716 -0.025 -6.657 566 HB1 ALA 73 HB1 ALA 73 8.571 -1.153 -8.485 567 HB2 ALA 73 HB2 ALA 73 10.106 -1.288 -9.390 568 HB3 ALA 73 HB3 ALA 73 9.875 -2.111 -7.837 569 H ASP 74 H ASP 74 11.969 0.870 -9.206 570 HA ASP 74 HA ASP 74 14.332 -0.455 -8.583 571 HB2 ASP 74 HB2 ASP 74 14.011 0.963 -10.532 572 HB3 ASP 74 HB3 ASP 74 13.746 2.376 -9.554 573 H LYS 75 H LYS 75 13.394 2.846 -7.457 574 HA LYS 75 HA LYS 75 15.447 2.860 -5.452 575 HB2 LYS 75 HB2 LYS 75 15.315 5.003 -5.825 576 HB3 LYS 75 HB3 LYS 75 14.222 4.575 -7.132 577 HG2 LYS 75 HG2 LYS 75 12.653 4.970 -4.735 578 HG3 LYS 75 HG3 LYS 75 13.782 6.286 -5.049 579 HD2 LYS 75 HD2 LYS 75 12.055 5.140 -7.157 580 HD3 LYS 75 HD3 LYS 75 11.490 6.495 -6.135 581 HE2 LYS 75 HE2 LYS 75 13.995 6.452 -7.846 582 HE3 LYS 75 HE3 LYS 75 12.478 7.209 -8.358 583 HZ1 LYS 75 HZ1 LYS 75 14.007 8.798 -7.557 584 HZ2 LYS 75 HZ2 LYS 75 14.241 8.062 -6.134 585 HZ3 LYS 75 HZ3 LYS 75 12.767 8.747 -6.467 586 H LEU 76 H LEU 76 12.018 2.467 -5.616 587 HA LEU 76 HA LEU 76 11.418 2.735 -2.806 588 HB2 LEU 76 HB2 LEU 76 10.025 1.154 -4.987 589 HB3 LEU 76 HB3 LEU 76 9.412 1.194 -3.342 590 HG LEU 76 HG LEU 76 9.921 3.750 -4.917 591 HD11 LEU 76 HD11 LEU 76 8.204 2.194 -6.046 592 HD12 LEU 76 HD12 LEU 76 7.656 3.817 -5.616 593 HD13 LEU 76 HD13 LEU 76 7.212 2.462 -4.582 594 HD21 LEU 76 HD21 LEU 76 8.145 3.044 -2.519 595 HD22 LEU 76 HD22 LEU 76 8.244 4.649 -3.271 596 HD23 LEU 76 HD23 LEU 76 9.651 3.989 -2.440 597 H ALA 77 H ALA 77 12.449 -0.082 -4.765 598 HA ALA 77 HA ALA 77 12.394 -2.131 -2.791 599 HB1 ALA 77 HB1 ALA 77 14.213 -3.171 -4.076 600 HB2 ALA 77 HB2 ALA 77 12.866 -2.646 -5.086 601 HB3 ALA 77 HB3 ALA 77 14.370 -1.695 -5.048 602 H ALA 78 H ALA 78 14.748 0.551 -3.336 603 HA ALA 78 HA ALA 78 16.707 -0.487 -1.437 604 HB1 ALA 78 HB1 ALA 78 17.442 0.803 -3.392 605 HB2 ALA 78 HB2 ALA 78 16.547 2.226 -2.810 606 HB3 ALA 78 HB3 ALA 78 17.893 1.582 -1.865 607 H ILE 79 H ILE 79 14.684 2.471 -1.502 608 HA ILE 79 HA ILE 79 15.120 3.324 1.094 609 HB ILE 79 HB ILE 79 12.515 3.509 -0.463 610 HG12 ILE 79 HG12 ILE 79 14.536 5.728 -0.181 611 HG13 ILE 79 HG13 ILE 79 14.614 4.594 -1.535 612 HG21 ILE 79 HG21 ILE 79 12.209 5.583 1.055 613 HG22 ILE 79 HG22 ILE 79 12.047 4.008 1.842 614 HG23 ILE 79 HG23 ILE 79 13.541 4.951 2.022 615 HD11 ILE 79 HD11 ILE 79 12.279 6.472 -0.888 616 HD12 ILE 79 HD12 ILE 79 13.412 6.587 -2.237 617 HD13 ILE 79 HD13 ILE 79 12.266 5.237 -2.162 618 H ALA 80 H ALA 80 12.753 0.850 0.065 619 HA ALA 80 HA ALA 80 11.591 0.604 2.700 620 HB1 ALA 80 HB1 ALA 80 10.353 -1.251 1.741 621 HB2 ALA 80 HB2 ALA 80 10.412 0.035 0.540 622 HB3 ALA 80 HB3 ALA 80 11.490 -1.345 0.376 623 H ALA 81 H ALA 81 14.325 -1.018 1.076 624 HA ALA 81 HA ALA 81 14.341 -3.297 2.805 625 HB1 ALA 81 HB1 ALA 81 16.578 -3.686 1.821 626 HB2 ALA 81 HB2 ALA 81 15.397 -3.268 0.575 627 HB3 ALA 81 HB3 ALA 81 16.567 -2.050 1.140 628 HA PRO 82 HA PRO 82 16.176 -4.645 3.757 629 HB2 PRO 82 HB2 PRO 82 16.584 -5.624 6.259 630 HB3 PRO 82 HB3 PRO 82 17.882 -4.917 5.260 631 HG2 PRO 82 HG2 PRO 82 16.365 -3.599 7.496 632 HG3 PRO 82 HG3 PRO 82 18.120 -3.579 7.154 633 HD2 PRO 82 HD2 PRO 82 16.393 -1.563 6.388 634 HD3 PRO 82 HD3 PRO 82 17.886 -1.960 5.489 635 H ALA 83 H ALA 83 14.341 -5.692 3.455 636 HA ALA 83 HA ALA 83 12.537 -6.871 4.909 637 HB1 ALA 83 HB1 ALA 83 11.630 -3.986 4.511 638 HB2 ALA 83 HB2 ALA 83 10.479 -5.325 4.673 639 HB3 ALA 83 HB3 ALA 83 11.594 -4.956 5.996 640 H GLU 84 H GLU 84 10.607 -7.365 3.443 641 HA GLU 84 HA GLU 84 11.536 -7.396 0.614 642 HB2 GLU 84 HB2 GLU 84 9.509 -9.047 2.142 643 HB3 GLU 84 HB3 GLU 84 9.581 -9.069 0.397 644 HG2 GLU 84 HG2 GLU 84 10.827 -10.947 1.364 645 HG3 GLU 84 HG3 GLU 84 11.821 -9.901 0.353 646 H ILE 85 H ILE 85 10.072 -6.826 -1.118 647 HA ILE 85 HA ILE 85 7.800 -5.130 -0.376 648 HB ILE 85 HB ILE 85 8.634 -3.755 -2.432 649 HG12 ILE 85 HG12 ILE 85 10.673 -5.325 -2.755 650 HG13 ILE 85 HG13 ILE 85 10.848 -3.594 -2.925 651 HG21 ILE 85 HG21 ILE 85 9.783 -2.230 -0.842 652 HG22 ILE 85 HG22 ILE 85 8.194 -2.802 -0.307 653 HG23 ILE 85 HG23 ILE 85 9.661 -3.499 0.397 654 HD11 ILE 85 HD11 ILE 85 12.726 -4.705 -1.679 655 HD12 ILE 85 HD12 ILE 85 11.966 -3.379 -0.794 656 HD13 ILE 85 HD13 ILE 85 11.593 -5.049 -0.354 657 H PHE 86 H PHE 86 6.062 -5.203 -1.820 658 HA PHE 86 HA PHE 86 6.299 -6.781 -4.310 659 HB2 PHE 86 HB2 PHE 86 4.184 -7.088 -2.151 660 HB3 PHE 86 HB3 PHE 86 4.135 -7.877 -3.710 661 HD1 PHE 86 HD1 PHE 86 5.952 -7.785 -0.435 662 HD2 PHE 86 HD2 PHE 86 5.064 -10.004 -4.009 663 HE1 PHE 86 HE1 PHE 86 7.014 -9.794 0.552 664 HE2 PHE 86 HE2 PHE 86 6.089 -12.033 -3.010 665 HZ PHE 86 HZ PHE 86 7.085 -11.921 -0.722 666 H LEU 87 H LEU 87 4.555 -6.207 -5.854 667 HA LEU 87 HA LEU 87 3.311 -3.575 -5.347 668 HB2 LEU 87 HB2 LEU 87 4.039 -5.171 -7.864 669 HB3 LEU 87 HB3 LEU 87 3.070 -3.713 -7.868 670 HG LEU 87 HG LEU 87 5.056 -2.996 -8.502 671 HD11 LEU 87 HD11 LEU 87 4.144 -1.679 -6.559 672 HD12 LEU 87 HD12 LEU 87 5.873 -1.426 -6.893 673 HD13 LEU 87 HD13 LEU 87 5.356 -2.443 -5.534 674 HD21 LEU 87 HD21 LEU 87 6.491 -4.931 -7.985 675 HD22 LEU 87 HD22 LEU 87 6.722 -4.263 -6.352 676 HD23 LEU 87 HD23 LEU 87 7.223 -3.329 -7.804 677 H LEU 88 H LEU 88 1.180 -3.340 -5.592 678 HA LEU 88 HA LEU 88 -0.520 -5.695 -5.507 679 HB2 LEU 88 HB2 LEU 88 -0.721 -2.932 -4.814 680 HB3 LEU 88 HB3 LEU 88 -1.873 -3.143 -6.108 681 HG LEU 88 HG LEU 88 -2.952 -3.382 -4.054 682 HD11 LEU 88 HD11 LEU 88 -3.780 -4.919 -5.796 683 HD12 LEU 88 HD12 LEU 88 -3.993 -5.560 -4.160 684 HD13 LEU 88 HD13 LEU 88 -2.705 -6.210 -5.162 685 HD21 LEU 88 HD21 LEU 88 -2.455 -5.026 -2.332 686 HD22 LEU 88 HD22 LEU 88 -1.067 -3.972 -2.614 687 HD23 LEU 88 HD23 LEU 88 -1.071 -5.625 -3.268 688 H GLU 89 H GLU 89 -2.166 -6.225 -7.067 689 HA GLU 89 HA GLU 89 -1.438 -6.243 -9.761 690 HB2 GLU 89 HB2 GLU 89 -2.945 -7.795 -8.422 691 HB3 GLU 89 HB3 GLU 89 -4.255 -6.661 -8.671 692 HG2 GLU 89 HG2 GLU 89 -2.627 -7.947 -10.919 693 HG3 GLU 89 HG3 GLU 89 -4.074 -8.673 -10.232 694 H ASP 90 H ASP 90 -4.478 -4.657 -8.639 695 HA ASP 90 HA ASP 90 -4.009 -2.401 -10.533 696 HB2 ASP 90 HB2 ASP 90 -5.820 -4.157 -10.972 697 HB3 ASP 90 HB3 ASP 90 -6.729 -3.385 -9.685 698 H GLY 91 H GLY 91 -2.969 -2.349 -7.976 699 HA2 GLY 91 HA2 GLY 91 -2.892 -1.050 -6.033 700 HA3 GLY 91 HA3 GLY 91 -3.778 0.124 -7.024 701 H ILE 92 H ILE 92 -5.001 0.900 -5.276 702 HA ILE 92 HA ILE 92 -6.491 -0.755 -3.489 703 HB ILE 92 HB ILE 92 -5.612 1.471 -3.114 704 HG12 ILE 92 HG12 ILE 92 -7.595 0.243 -1.872 705 HG13 ILE 92 HG13 ILE 92 -6.992 1.807 -1.347 706 HG21 ILE 92 HG21 ILE 92 -7.947 2.565 -4.701 707 HG22 ILE 92 HG22 ILE 92 -6.807 3.505 -3.714 708 HG23 ILE 92 HG23 ILE 92 -6.232 2.612 -5.122 709 HD11 ILE 92 HD11 ILE 92 -9.469 1.607 -1.339 710 HD12 ILE 92 HD12 ILE 92 -8.867 2.936 -2.344 711 HD13 ILE 92 HD13 ILE 92 -9.442 1.446 -3.109 712 H ASP 93 H ASP 93 -7.127 0.406 -6.689 713 HA ASP 93 HA ASP 93 -9.975 0.351 -6.693 714 HB2 ASP 93 HB2 ASP 93 -8.511 1.109 -8.621 715 HB3 ASP 93 HB3 ASP 93 -8.167 -0.583 -8.962 716 H GLY 94 H GLY 94 -7.542 -2.215 -7.049 717 HA2 GLY 94 HA2 GLY 94 -9.320 -4.419 -7.409 718 HA3 GLY 94 HA3 GLY 94 -7.645 -4.492 -6.842 719 H TRP 95 H TRP 95 -8.136 -2.725 -4.473 720 HA TRP 95 HA TRP 95 -8.808 -4.685 -2.494 721 HB2 TRP 95 HB2 TRP 95 -7.428 -2.516 -2.256 722 HB3 TRP 95 HB3 TRP 95 -8.964 -1.707 -2.027 723 HD1 TRP 95 HD1 TRP 95 -10.194 -2.058 0.246 724 HE1 TRP 95 HE1 TRP 95 -9.591 -3.046 2.479 725 HE3 TRP 95 HE3 TRP 95 -5.769 -4.134 -1.082 726 HZ2 TRP 95 HZ2 TRP 95 -7.489 -4.832 3.536 727 HZ3 TRP 95 HZ3 TRP 95 -4.428 -5.463 0.560 728 HH2 TRP 95 HH2 TRP 95 -5.300 -5.847 2.853 729 H LYS 96 H LYS 96 -10.588 -1.994 -4.022 730 HA LYS 96 HA LYS 96 -13.035 -2.360 -2.499 731 HB2 LYS 96 HB2 LYS 96 -12.510 -0.861 -5.098 732 HB3 LYS 96 HB3 LYS 96 -14.013 -0.846 -4.160 733 HG2 LYS 96 HG2 LYS 96 -12.650 -0.095 -2.143 734 HG3 LYS 96 HG3 LYS 96 -11.291 0.133 -3.249 735 HD2 LYS 96 HD2 LYS 96 -12.695 1.764 -4.554 736 HD3 LYS 96 HD3 LYS 96 -14.002 1.515 -3.365 737 HE2 LYS 96 HE2 LYS 96 -12.175 2.108 -1.585 738 HE3 LYS 96 HE3 LYS 96 -11.258 2.758 -2.948 739 HZ1 LYS 96 HZ1 LYS 96 -13.958 3.636 -2.113 740 HZ2 LYS 96 HZ2 LYS 96 -13.120 4.261 -3.376 741 HZ3 LYS 96 HZ3 LYS 96 -12.544 4.431 -1.846 742 H LYS 97 H LYS 97 -11.992 -3.358 -5.758 743 HA LYS 97 HA LYS 97 -14.388 -4.683 -6.483 744 HB2 LYS 97 HB2 LYS 97 -11.470 -5.034 -7.243 745 HB3 LYS 97 HB3 LYS 97 -12.727 -6.034 -7.965 746 HG2 LYS 97 HG2 LYS 97 -13.880 -4.151 -8.884 747 HG3 LYS 97 HG3 LYS 97 -12.921 -2.987 -7.957 748 HD2 LYS 97 HD2 LYS 97 -10.958 -3.367 -9.251 749 HD3 LYS 97 HD3 LYS 97 -11.601 -4.870 -9.900 750 HE2 LYS 97 HE2 LYS 97 -11.751 -3.337 -11.671 751 HE3 LYS 97 HE3 LYS 97 -13.394 -3.585 -11.082 752 HZ1 LYS 97 HZ1 LYS 97 -11.662 -1.282 -10.426 753 HZ2 LYS 97 HZ2 LYS 97 -13.211 -1.488 -9.903 754 HZ3 LYS 97 HZ3 LYS 97 -12.870 -1.284 -11.515 755 H ALA 98 H ALA 98 -11.568 -5.904 -4.647 756 HA ALA 98 HA ALA 98 -12.399 -8.590 -4.392 757 HB1 ALA 98 HB1 ALA 98 -10.106 -7.797 -3.978 758 HB2 ALA 98 HB2 ALA 98 -10.690 -6.860 -2.575 759 HB3 ALA 98 HB3 ALA 98 -10.750 -8.637 -2.552 760 H GLY 99 H GLY 99 -13.710 -5.761 -2.860 761 HA2 GLY 99 HA2 GLY 99 -15.521 -5.603 -1.407 762 HA3 GLY 99 HA3 GLY 99 -15.571 -7.366 -1.286 763 H LEU 100 H LEU 100 -12.537 -5.763 -0.674 764 HA LEU 100 HA LEU 100 -12.433 -6.790 2.051 765 HB2 LEU 100 HB2 LEU 100 -10.575 -5.107 0.361 766 HB3 LEU 100 HB3 LEU 100 -10.184 -5.620 1.985 767 HG LEU 100 HG LEU 100 -10.813 -7.570 -0.260 768 HD11 LEU 100 HD11 LEU 100 -8.722 -6.285 -0.668 769 HD12 LEU 100 HD12 LEU 100 -8.437 -8.005 -0.350 770 HD13 LEU 100 HD13 LEU 100 -8.120 -6.808 0.927 771 HD21 LEU 100 HD21 LEU 100 -11.242 -8.632 1.851 772 HD22 LEU 100 HD22 LEU 100 -9.825 -7.884 2.597 773 HD23 LEU 100 HD23 LEU 100 -9.627 -9.157 1.362 774 HA PRO 101 HA PRO 101 -13.942 -3.232 4.124 775 HB2 PRO 101 HB2 PRO 101 -12.510 -2.982 6.427 776 HB3 PRO 101 HB3 PRO 101 -13.566 -4.392 6.102 777 HG2 PRO 101 HG2 PRO 101 -10.563 -4.183 5.667 778 HG3 PRO 101 HG3 PRO 101 -11.473 -5.458 6.535 779 HD2 PRO 101 HD2 PRO 101 -10.723 -5.742 3.938 780 HD3 PRO 101 HD3 PRO 101 -12.282 -6.387 4.521 781 H VAL 102 H VAL 102 -13.613 -1.034 4.708 782 HA VAL 102 HA VAL 102 -11.086 0.319 4.295 783 HB VAL 102 HB VAL 102 -12.426 2.047 2.861 784 HG11 VAL 102 HG11 VAL 102 -10.369 0.966 2.107 785 HG12 VAL 102 HG12 VAL 102 -11.311 -0.416 1.503 786 HG13 VAL 102 HG13 VAL 102 -11.531 1.210 0.801 787 HG21 VAL 102 HG21 VAL 102 -13.763 -0.463 1.809 788 HG22 VAL 102 HG22 VAL 102 -14.555 0.700 2.896 789 HG23 VAL 102 HG23 VAL 102 -14.000 1.225 1.294 790 H ALA 103 H ALA 103 -11.292 2.477 5.051 791 HA ALA 103 HA ALA 103 -12.882 2.760 7.481 792 HB1 ALA 103 HB1 ALA 103 -11.350 4.679 7.812 793 HB2 ALA 103 HB2 ALA 103 -10.436 3.230 7.338 794 HB3 ALA 103 HB3 ALA 103 -10.749 4.496 6.153 795 H VAL 104 H VAL 104 -14.549 2.775 5.202 796 HA VAL 104 HA VAL 104 -15.232 5.591 4.617 797 HB VAL 104 HB VAL 104 -16.957 4.586 3.137 798 HG11 VAL 104 HG11 VAL 104 -15.403 3.590 1.483 799 HG12 VAL 104 HG12 VAL 104 -14.814 5.088 2.204 800 HG13 VAL 104 HG13 VAL 104 -14.128 3.542 2.727 801 HG21 VAL 104 HG21 VAL 104 -16.905 2.145 2.681 802 HG22 VAL 104 HG22 VAL 104 -15.883 1.909 4.116 803 HG23 VAL 104 HG23 VAL 104 -17.514 2.551 4.301 804 H ASN 105 H ASN 105 -17.828 5.920 4.717 805 HA ASN 105 HA ASN 105 -18.691 5.060 7.443 806 HB2 ASN 105 HB2 ASN 105 -18.034 7.584 6.801 807 HB3 ASN 105 HB3 ASN 105 -19.713 7.610 6.254 808 HD21 ASN 105 HD21 ASN 105 -21.268 6.494 7.986 809 HD22 ASN 105 HD22 ASN 105 -20.974 6.979 9.645 810 H LYS 106 H LYS 106 -19.303 4.505 4.222 811 HA LYS 106 HA LYS 106 -21.986 3.453 4.732 812 HB2 LYS 106 HB2 LYS 106 -21.376 5.780 2.853 813 HB3 LYS 106 HB3 LYS 106 -22.579 4.588 2.390 814 HG2 LYS 106 HG2 LYS 106 -23.860 5.011 4.456 815 HG3 LYS 106 HG3 LYS 106 -22.720 6.316 4.883 816 HD2 LYS 106 HD2 LYS 106 -23.260 7.536 2.858 817 HD3 LYS 106 HD3 LYS 106 -24.207 6.185 2.227 818 HE2 LYS 106 HE2 LYS 106 -25.722 7.827 3.008 819 HE3 LYS 106 HE3 LYS 106 -25.831 6.417 4.076 820 HZ1 LYS 106 HZ1 LYS 106 -24.267 8.851 4.690 821 HZ2 LYS 106 HZ2 LYS 106 -24.593 7.616 5.727 822 HZ3 LYS 106 HZ3 LYS 106 -25.810 8.602 5.178 823 H SER 107 H SER 107 -22.690 2.094 2.902 824 HA SER 107 HA SER 107 -20.447 0.763 1.555 825 HB2 SER 107 HB2 SER 107 -22.401 -0.763 0.914 826 HB3 SER 107 HB3 SER 107 -21.983 -0.696 2.634 827 HG SER 107 HG SER 107 -24.182 0.424 1.265 828 H GLN 108 H GLN 108 -20.143 1.015 -0.717 829 HA GLN 108 HA GLN 108 -22.212 2.316 -2.298 830 HB2 GLN 108 HB2 GLN 108 -19.410 3.482 -1.995 831 HB3 GLN 108 HB3 GLN 108 -20.508 3.821 -3.327 832 HG2 GLN 108 HG2 GLN 108 -22.175 4.736 -1.698 833 HG3 GLN 108 HG3 GLN 108 -21.017 4.471 -0.392 834 HE21 GLN 108 HE21 GLN 108 -20.550 5.773 -3.754 835 HE22 GLN 108 HE22 GLN 108 -19.733 7.220 -3.185 Start of MODEL 2 1 H ALA 1 H ALA 1 13.557 -8.812 -3.488 2 HA ALA 1 HA ALA 1 12.962 -7.030 -5.027 3 HB1 ALA 1 HB1 ALA 1 13.011 -8.089 -7.107 4 HB2 ALA 1 HB2 ALA 1 14.157 -8.925 -6.014 5 HB3 ALA 1 HB3 ALA 1 12.580 -9.662 -6.388 6 H LEU 2 H LEU 2 11.503 -5.962 -6.182 7 HA LEU 2 HA LEU 2 8.806 -6.089 -5.457 8 HB2 LEU 2 HB2 LEU 2 9.669 -4.867 -8.077 9 HB3 LEU 2 HB3 LEU 2 8.314 -4.450 -7.056 10 HG LEU 2 HG LEU 2 10.508 -4.048 -5.345 11 HD11 LEU 2 HD11 LEU 2 12.161 -4.340 -7.061 12 HD12 LEU 2 HD12 LEU 2 12.027 -2.597 -6.845 13 HD13 LEU 2 HD13 LEU 2 11.265 -3.364 -8.227 14 HD21 LEU 2 HD21 LEU 2 9.028 -2.079 -7.101 15 HD22 LEU 2 HD22 LEU 2 10.075 -1.652 -5.716 16 HD23 LEU 2 HD23 LEU 2 8.602 -2.621 -5.457 17 H THR 3 H THR 3 7.512 -7.749 -5.788 18 HA THR 3 HA THR 3 7.050 -8.822 -8.528 19 HB THR 3 HB THR 3 7.536 -10.077 -5.847 20 HG1 THR 3 HG1 THR 3 8.168 -11.243 -8.299 21 HG21 THR 3 HG21 THR 3 5.960 -11.497 -8.022 22 HG22 THR 3 HG22 THR 3 5.447 -11.142 -6.349 23 HG23 THR 3 HG23 THR 3 6.767 -12.283 -6.637 24 H THR 4 H THR 4 4.802 -9.646 -8.770 25 HA THR 4 HA THR 4 2.897 -8.017 -7.200 26 HB THR 4 HB THR 4 1.363 -8.547 -9.194 27 HG1 THR 4 HG1 THR 4 2.285 -9.164 -11.016 28 HG21 THR 4 HG21 THR 4 2.245 -6.330 -8.960 29 HG22 THR 4 HG22 THR 4 2.382 -6.810 -10.655 30 HG23 THR 4 HG23 THR 4 3.829 -6.815 -9.619 31 H ILE 5 H ILE 5 0.834 -8.879 -6.631 32 HA ILE 5 HA ILE 5 0.575 -11.782 -6.507 33 HB ILE 5 HB ILE 5 0.159 -11.866 -4.212 34 HG12 ILE 5 HG12 ILE 5 -1.015 -9.837 -3.695 35 HG13 ILE 5 HG13 ILE 5 0.337 -10.041 -2.602 36 HG21 ILE 5 HG21 ILE 5 2.300 -11.335 -3.205 37 HG22 ILE 5 HG22 ILE 5 2.517 -12.006 -4.821 38 HG23 ILE 5 HG23 ILE 5 2.732 -10.267 -4.526 39 HD11 ILE 5 HD11 ILE 5 0.145 -7.731 -3.207 40 HD12 ILE 5 HD12 ILE 5 1.614 -8.352 -3.986 41 HD13 ILE 5 HD13 ILE 5 0.125 -8.123 -4.938 42 H SER 6 H SER 6 -1.737 -12.349 -5.720 43 HA SER 6 HA SER 6 -3.597 -11.148 -7.477 44 HB2 SER 6 HB2 SER 6 -3.824 -12.956 -5.043 45 HB3 SER 6 HB3 SER 6 -5.271 -12.320 -5.795 46 HG SER 6 HG SER 6 -3.286 -13.821 -7.187 47 HA PRO 7 HA PRO 7 -5.095 -7.630 -5.344 48 HB2 PRO 7 HB2 PRO 7 -7.835 -7.620 -5.790 49 HB3 PRO 7 HB3 PRO 7 -6.596 -7.206 -7.014 50 HG2 PRO 7 HG2 PRO 7 -7.968 -9.877 -6.577 51 HG3 PRO 7 HG3 PRO 7 -7.720 -8.999 -8.122 52 HD2 PRO 7 HD2 PRO 7 -6.067 -10.997 -7.387 53 HD3 PRO 7 HD3 PRO 7 -5.406 -9.526 -8.155 54 H HIS 8 H HIS 8 -5.918 -10.673 -4.184 55 HA HIS 8 HA HIS 8 -7.083 -9.620 -1.654 56 HB2 HIS 8 HB2 HIS 8 -8.490 -11.144 -3.081 57 HB3 HIS 8 HB3 HIS 8 -7.293 -12.408 -2.851 58 HD1 HIS 8 HD1 HIS 8 -10.458 -11.244 -1.345 59 HD2 HIS 8 HD2 HIS 8 -6.869 -13.089 -0.086 60 HE1 HIS 8 HE1 HIS 8 -10.910 -12.234 0.952 61 H ASP 9 H ASP 9 -4.514 -11.517 -3.129 62 HA ASP 9 HA ASP 9 -3.443 -12.942 -0.970 63 HB2 ASP 9 HB2 ASP 9 -2.247 -11.680 -3.437 64 HB3 ASP 9 HB3 ASP 9 -1.166 -12.284 -2.196 65 H ALA 10 H ALA 10 -3.038 -9.510 -1.781 66 HA ALA 10 HA ALA 10 -0.868 -8.959 -0.037 67 HB1 ALA 10 HB1 ALA 10 -1.568 -7.331 -1.633 68 HB2 ALA 10 HB2 ALA 10 -3.192 -7.191 -0.909 69 HB3 ALA 10 HB3 ALA 10 -1.759 -6.613 -0.024 70 H GLN 11 H GLN 11 -4.425 -8.737 0.574 71 HA GLN 11 HA GLN 11 -4.335 -7.916 3.222 72 HB2 GLN 11 HB2 GLN 11 -6.251 -8.145 1.485 73 HB3 GLN 11 HB3 GLN 11 -6.499 -9.746 2.154 74 HG2 GLN 11 HG2 GLN 11 -6.242 -7.425 4.092 75 HG3 GLN 11 HG3 GLN 11 -7.649 -7.490 3.069 76 HE21 GLN 11 HE21 GLN 11 -9.150 -7.937 4.890 77 HE22 GLN 11 HE22 GLN 11 -9.028 -9.468 5.735 78 H GLU 12 H GLU 12 -4.542 -11.217 1.937 79 HA GLU 12 HA GLU 12 -4.510 -12.770 4.314 80 HB2 GLU 12 HB2 GLU 12 -4.797 -13.500 1.902 81 HB3 GLU 12 HB3 GLU 12 -3.072 -13.244 1.701 82 HG2 GLU 12 HG2 GLU 12 -3.389 -15.529 2.015 83 HG3 GLU 12 HG3 GLU 12 -2.629 -14.921 3.481 84 H LEU 13 H LEU 13 -1.714 -11.294 2.558 85 HA LEU 13 HA LEU 13 0.155 -12.535 4.397 86 HB2 LEU 13 HB2 LEU 13 0.480 -10.246 2.432 87 HB3 LEU 13 HB3 LEU 13 1.818 -10.991 3.310 88 HG LEU 13 HG LEU 13 -0.053 -12.635 1.535 89 HD11 LEU 13 HD11 LEU 13 0.967 -10.868 0.191 90 HD12 LEU 13 HD12 LEU 13 1.650 -12.455 -0.208 91 HD13 LEU 13 HD13 LEU 13 2.580 -11.330 0.823 92 HD21 LEU 13 HD21 LEU 13 1.318 -13.913 3.177 93 HD22 LEU 13 HD22 LEU 13 2.777 -13.194 2.460 94 HD23 LEU 13 HD23 LEU 13 1.737 -14.250 1.495 95 H ILE 14 H ILE 14 -1.306 -9.304 4.168 96 HA ILE 14 HA ILE 14 0.086 -8.132 6.359 97 HB ILE 14 HB ILE 14 -2.669 -7.490 5.249 98 HG12 ILE 14 HG12 ILE 14 -0.271 -5.749 4.690 99 HG13 ILE 14 HG13 ILE 14 -0.335 -7.261 3.835 100 HG21 ILE 14 HG21 ILE 14 -0.805 -5.949 7.091 101 HG22 ILE 14 HG22 ILE 14 -2.107 -5.174 6.188 102 HG23 ILE 14 HG23 ILE 14 -2.495 -6.416 7.397 103 HD11 ILE 14 HD11 ILE 14 -1.406 -5.475 2.510 104 HD12 ILE 14 HD12 ILE 14 -2.577 -6.721 2.948 105 HD13 ILE 14 HD13 ILE 14 -2.580 -5.193 3.823 106 H ALA 15 H ALA 15 -2.987 -9.993 6.206 107 HA ALA 15 HA ALA 15 -3.706 -9.731 8.919 108 HB1 ALA 15 HB1 ALA 15 -4.239 -12.055 7.010 109 HB2 ALA 15 HB2 ALA 15 -5.126 -11.691 8.506 110 HB3 ALA 15 HB3 ALA 15 -5.208 -10.570 7.134 111 H ARG 16 H ARG 16 -1.579 -12.122 7.285 112 HA ARG 16 HA ARG 16 -1.117 -13.674 9.697 113 HB2 ARG 16 HB2 ARG 16 0.504 -13.487 7.141 114 HB3 ARG 16 HB3 ARG 16 0.723 -14.687 8.406 115 HG2 ARG 16 HG2 ARG 16 -1.431 -15.728 7.890 116 HG3 ARG 16 HG3 ARG 16 -1.915 -14.415 6.879 117 HD2 ARG 16 HD2 ARG 16 0.063 -14.779 5.413 118 HD3 ARG 16 HD3 ARG 16 0.525 -16.154 6.429 119 HE ARG 16 HE ARG 16 -2.086 -16.625 5.493 120 HH11 ARG 16 HH11 ARG 16 1.157 -16.174 4.174 121 HH12 ARG 16 HH12 ARG 16 0.850 -16.787 2.601 122 HH21 ARG 16 HH21 ARG 16 -2.443 -17.907 3.469 123 HH22 ARG 16 HH22 ARG 16 -1.308 -17.658 2.164 124 H GLY 17 H GLY 17 0.344 -10.730 8.399 125 HA2 GLY 17 HA2 GLY 17 1.424 -9.769 10.690 126 HA3 GLY 17 HA3 GLY 17 2.649 -10.931 10.208 127 H ALA 18 H ALA 18 1.750 -9.952 7.246 128 HA ALA 18 HA ALA 18 4.036 -8.262 6.876 129 HB1 ALA 18 HB1 ALA 18 3.056 -9.819 5.149 130 HB2 ALA 18 HB2 ALA 18 1.717 -8.666 4.929 131 HB3 ALA 18 HB3 ALA 18 3.368 -8.186 4.554 132 H LYS 19 H LYS 19 3.412 -6.142 5.314 133 HA LYS 19 HA LYS 19 1.426 -4.498 6.829 134 HB2 LYS 19 HB2 LYS 19 4.313 -4.263 6.842 135 HB3 LYS 19 HB3 LYS 19 3.670 -2.861 6.028 136 HG2 LYS 19 HG2 LYS 19 2.775 -3.873 8.774 137 HG3 LYS 19 HG3 LYS 19 4.034 -2.660 8.493 138 HD2 LYS 19 HD2 LYS 19 2.477 -1.069 7.604 139 HD3 LYS 19 HD3 LYS 19 1.185 -2.267 7.547 140 HE2 LYS 19 HE2 LYS 19 0.949 -0.681 9.411 141 HE3 LYS 19 HE3 LYS 19 0.982 -2.389 9.901 142 HZ1 LYS 19 HZ1 LYS 19 2.912 -0.263 10.444 143 HZ2 LYS 19 HZ2 LYS 19 3.448 -1.827 10.378 144 HZ3 LYS 19 HZ3 LYS 19 2.297 -1.386 11.433 145 H LEU 20 H LEU 20 0.700 -2.555 5.722 146 HA LEU 20 HA LEU 20 0.864 -2.760 2.767 147 HB2 LEU 20 HB2 LEU 20 -1.318 -3.355 3.863 148 HB3 LEU 20 HB3 LEU 20 -1.427 -1.767 4.475 149 HG LEU 20 HG LEU 20 -1.643 -0.763 2.366 150 HD11 LEU 20 HD11 LEU 20 -1.532 -1.909 0.254 151 HD12 LEU 20 HD12 LEU 20 -0.856 -3.360 1.029 152 HD13 LEU 20 HD13 LEU 20 0.029 -1.804 1.001 153 HD21 LEU 20 HD21 LEU 20 -3.125 -3.425 2.123 154 HD22 LEU 20 HD22 LEU 20 -3.617 -1.880 1.429 155 HD23 LEU 20 HD23 LEU 20 -3.648 -2.115 3.193 156 H ILE 21 H ILE 21 2.144 -1.169 2.052 157 HA ILE 21 HA ILE 21 2.035 1.429 3.470 158 HB ILE 21 HB ILE 21 4.340 0.074 2.121 159 HG12 ILE 21 HG12 ILE 21 5.506 0.718 4.139 160 HG13 ILE 21 HG13 ILE 21 4.207 1.779 4.650 161 HG21 ILE 21 HG21 ILE 21 4.268 2.323 1.062 162 HG22 ILE 21 HG22 ILE 21 3.984 3.071 2.622 163 HG23 ILE 21 HG23 ILE 21 5.553 2.294 2.266 164 HD11 ILE 21 HD11 ILE 21 3.793 -1.206 4.444 165 HD12 ILE 21 HD12 ILE 21 4.472 -0.454 5.889 166 HD13 ILE 21 HD13 ILE 21 2.847 0.008 5.369 167 H ASP 22 H ASP 22 0.510 2.497 2.566 168 HA ASP 22 HA ASP 22 0.060 2.442 -0.356 169 HB2 ASP 22 HB2 ASP 22 -1.848 2.596 1.306 170 HB3 ASP 22 HB3 ASP 22 -1.271 4.227 1.710 171 H ILE 23 H ILE 23 0.962 3.943 -1.659 172 HA ILE 23 HA ILE 23 2.427 6.231 -0.458 173 HB ILE 23 HB ILE 23 4.086 6.022 -2.197 174 HG12 ILE 23 HG12 ILE 23 2.443 3.667 -3.229 175 HG13 ILE 23 HG13 ILE 23 2.746 5.202 -4.038 176 HG21 ILE 23 HG21 ILE 23 5.247 4.102 -1.457 177 HG22 ILE 23 HG22 ILE 23 4.261 4.584 -0.085 178 HG23 ILE 23 HG23 ILE 23 3.746 3.211 -1.088 179 HD11 ILE 23 HD11 ILE 23 4.658 2.898 -3.577 180 HD12 ILE 23 HD12 ILE 23 4.200 3.689 -5.095 181 HD13 ILE 23 HD13 ILE 23 5.250 4.539 -3.962 182 H ARG 24 H ARG 24 -0.488 6.029 -1.690 183 HA ARG 24 HA ARG 24 -0.521 7.457 -4.117 184 HB2 ARG 24 HB2 ARG 24 -2.544 7.265 -1.855 185 HB3 ARG 24 HB3 ARG 24 -2.882 8.011 -3.423 186 HG2 ARG 24 HG2 ARG 24 -2.782 5.995 -4.587 187 HG3 ARG 24 HG3 ARG 24 -1.957 5.151 -3.273 188 HD2 ARG 24 HD2 ARG 24 -4.475 4.647 -3.668 189 HD3 ARG 24 HD3 ARG 24 -3.847 4.827 -2.029 190 HE ARG 24 HE ARG 24 -4.692 7.345 -2.740 191 HH11 ARG 24 HH11 ARG 24 -6.105 4.142 -2.040 192 HH12 ARG 24 HH12 ARG 24 -7.562 4.824 -1.348 193 HH21 ARG 24 HH21 ARG 24 -6.658 8.174 -1.625 194 HH22 ARG 24 HH22 ARG 24 -7.776 7.027 -1.030 195 H ASP 25 H ASP 25 -2.050 9.138 -1.376 196 HA ASP 25 HA ASP 25 -0.255 11.420 -1.445 197 HB2 ASP 25 HB2 ASP 25 -2.927 11.365 -2.880 198 HB3 ASP 25 HB3 ASP 25 -2.547 12.773 -1.910 199 H ALA 26 H ALA 26 -0.500 12.414 0.557 200 HA ALA 26 HA ALA 26 -1.727 11.083 2.665 201 HB1 ALA 26 HB1 ALA 26 0.095 12.505 3.135 202 HB2 ALA 26 HB2 ALA 26 -0.656 13.887 2.317 203 HB3 ALA 26 HB3 ALA 26 -1.301 13.309 3.863 204 H ASP 27 H ASP 27 -2.958 14.160 1.234 205 HA ASP 27 HA ASP 27 -5.238 14.272 2.928 206 HB2 ASP 27 HB2 ASP 27 -4.797 15.413 0.149 207 HB3 ASP 27 HB3 ASP 27 -6.198 15.774 1.158 208 H GLU 28 H GLU 28 -4.745 12.635 -0.210 209 HA GLU 28 HA GLU 28 -7.491 11.873 -0.565 210 HB2 GLU 28 HB2 GLU 28 -4.847 10.856 -1.645 211 HB3 GLU 28 HB3 GLU 28 -6.380 10.162 -2.156 212 HG2 GLU 28 HG2 GLU 28 -5.709 13.128 -2.464 213 HG3 GLU 28 HG3 GLU 28 -5.476 11.917 -3.717 214 H TYR 29 H TYR 29 -5.004 10.641 1.522 215 HA TYR 29 HA TYR 29 -6.423 8.038 1.876 216 HB2 TYR 29 HB2 TYR 29 -3.725 8.639 1.723 217 HB3 TYR 29 HB3 TYR 29 -3.986 8.620 3.450 218 HD1 TYR 29 HD1 TYR 29 -3.678 6.398 4.461 219 HD2 TYR 29 HD2 TYR 29 -4.920 6.730 0.358 220 HE1 TYR 29 HE1 TYR 29 -3.634 3.938 4.258 221 HE2 TYR 29 HE2 TYR 29 -4.988 4.264 0.171 222 HH TYR 29 HH TYR 29 -4.546 2.282 1.187 223 H LEU 30 H LEU 30 -6.312 11.145 3.131 224 HA LEU 30 HA LEU 30 -6.690 10.593 5.943 225 HB2 LEU 30 HB2 LEU 30 -5.908 12.801 4.899 226 HB3 LEU 30 HB3 LEU 30 -7.561 13.047 4.363 227 HG LEU 30 HG LEU 30 -8.295 12.909 6.799 228 HD11 LEU 30 HD11 LEU 30 -5.293 13.143 7.301 229 HD12 LEU 30 HD12 LEU 30 -6.332 11.786 7.789 230 HD13 LEU 30 HD13 LEU 30 -6.567 13.380 8.507 231 HD21 LEU 30 HD21 LEU 30 -6.311 15.094 6.045 232 HD22 LEU 30 HD22 LEU 30 -7.619 15.221 7.244 233 HD23 LEU 30 HD23 LEU 30 -8.005 15.032 5.527 234 H ARG 31 H ARG 31 -8.901 11.490 3.311 235 HA ARG 31 HA ARG 31 -11.361 11.385 4.733 236 HB2 ARG 31 HB2 ARG 31 -10.706 11.000 1.809 237 HB3 ARG 31 HB3 ARG 31 -12.356 10.980 2.460 238 HG2 ARG 31 HG2 ARG 31 -12.027 13.243 3.371 239 HG3 ARG 31 HG3 ARG 31 -10.394 13.315 2.629 240 HD2 ARG 31 HD2 ARG 31 -11.368 12.865 0.431 241 HD3 ARG 31 HD3 ARG 31 -12.958 12.663 1.157 242 HE ARG 31 HE ARG 31 -11.440 15.250 1.164 243 HH11 ARG 31 HH11 ARG 31 -14.473 13.501 0.669 244 HH12 ARG 31 HH12 ARG 31 -15.077 14.620 -0.500 245 HH21 ARG 31 HH21 ARG 31 -12.507 17.010 0.144 246 HH22 ARG 31 HH22 ARG 31 -14.112 16.852 -0.487 247 H GLU 32 H GLU 32 -10.506 8.901 2.281 248 HA GLU 32 HA GLU 32 -11.434 6.868 4.191 249 HB2 GLU 32 HB2 GLU 32 -12.478 5.597 2.336 250 HB3 GLU 32 HB3 GLU 32 -13.390 6.882 3.007 251 HG2 GLU 32 HG2 GLU 32 -11.827 7.458 0.478 252 HG3 GLU 32 HG3 GLU 32 -13.180 6.369 0.378 253 H HIS 33 H HIS 33 -10.198 5.072 4.302 254 HA HIS 33 HA HIS 33 -8.276 4.493 2.145 255 HB2 HIS 33 HB2 HIS 33 -6.393 4.577 3.632 256 HB3 HIS 33 HB3 HIS 33 -7.141 6.145 3.554 257 HD1 HIS 33 HD1 HIS 33 -5.963 3.563 6.023 258 HD2 HIS 33 HD2 HIS 33 -8.671 6.812 5.869 259 HE1 HIS 33 HE1 HIS 33 -6.341 4.282 8.403 260 H ILE 34 H ILE 34 -6.697 2.619 3.475 261 HA ILE 34 HA ILE 34 -8.675 0.490 4.031 262 HB ILE 34 HB ILE 34 -5.722 0.325 3.310 263 HG12 ILE 34 HG12 ILE 34 -8.211 -0.334 1.648 264 HG13 ILE 34 HG13 ILE 34 -7.213 1.106 1.431 265 HG21 ILE 34 HG21 ILE 34 -6.578 -1.579 4.766 266 HG22 ILE 34 HG22 ILE 34 -7.787 -1.922 3.524 267 HG23 ILE 34 HG23 ILE 34 -6.053 -2.097 3.185 268 HD11 ILE 34 HD11 ILE 34 -6.256 -1.736 1.053 269 HD12 ILE 34 HD12 ILE 34 -6.601 -0.550 -0.210 270 HD13 ILE 34 HD13 ILE 34 -5.255 -0.284 0.925 271 HA PRO 35 HA PRO 35 -7.361 1.110 8.312 272 HB2 PRO 35 HB2 PRO 35 -8.254 -1.248 9.425 273 HB3 PRO 35 HB3 PRO 35 -9.329 0.106 8.960 274 HG2 PRO 35 HG2 PRO 35 -8.681 -2.421 7.395 275 HG3 PRO 35 HG3 PRO 35 -10.292 -1.666 7.679 276 HD2 PRO 35 HD2 PRO 35 -8.854 -1.345 5.398 277 HD3 PRO 35 HD3 PRO 35 -9.820 -0.008 6.030 278 H GLU 36 H GLU 36 -6.574 -1.861 6.607 279 HA GLU 36 HA GLU 36 -4.516 -2.753 8.397 280 HB2 GLU 36 HB2 GLU 36 -5.287 -3.549 5.561 281 HB3 GLU 36 HB3 GLU 36 -4.089 -4.401 6.526 282 HG2 GLU 36 HG2 GLU 36 -6.961 -4.045 7.429 283 HG3 GLU 36 HG3 GLU 36 -6.383 -5.430 6.507 284 H ALA 37 H ALA 37 -4.465 -0.055 6.475 285 HA ALA 37 HA ALA 37 -1.556 -0.287 5.904 286 HB1 ALA 37 HB1 ALA 37 -3.561 1.538 4.513 287 HB2 ALA 37 HB2 ALA 37 -1.897 1.154 4.009 288 HB3 ALA 37 HB3 ALA 37 -3.186 -0.061 3.882 289 H ASP 38 H ASP 38 -0.575 1.825 5.783 290 HA ASP 38 HA ASP 38 -1.586 3.540 8.096 291 HB2 ASP 38 HB2 ASP 38 0.542 2.536 8.594 292 HB3 ASP 38 HB3 ASP 38 1.277 3.285 7.176 293 H LEU 39 H LEU 39 0.875 4.679 5.986 294 HA LEU 39 HA LEU 39 -0.242 5.895 3.809 295 HB2 LEU 39 HB2 LEU 39 -1.767 7.222 5.202 296 HB3 LEU 39 HB3 LEU 39 -0.449 7.577 6.327 297 HG LEU 39 HG LEU 39 0.648 8.988 4.725 298 HD11 LEU 39 HD11 LEU 39 -0.001 7.795 2.586 299 HD12 LEU 39 HD12 LEU 39 -0.347 9.509 2.511 300 HD13 LEU 39 HD13 LEU 39 -1.656 8.351 2.813 301 HD21 LEU 39 HD21 LEU 39 -0.918 10.800 4.721 302 HD22 LEU 39 HD22 LEU 39 -1.143 9.869 6.194 303 HD23 LEU 39 HD23 LEU 39 -2.292 9.670 4.857 304 H ALA 40 H ALA 40 1.698 6.401 2.801 305 HA ALA 40 HA ALA 40 3.859 7.755 4.191 306 HB1 ALA 40 HB1 ALA 40 4.732 5.162 2.939 307 HB2 ALA 40 HB2 ALA 40 5.461 6.134 4.233 308 HB3 ALA 40 HB3 ALA 40 4.069 5.130 4.594 309 HA PRO 41 HA PRO 41 2.649 8.602 -0.206 310 HB2 PRO 41 HB2 PRO 41 3.041 11.358 -0.105 311 HB3 PRO 41 HB3 PRO 41 1.509 10.524 0.343 312 HG2 PRO 41 HG2 PRO 41 3.737 11.511 2.113 313 HG3 PRO 41 HG3 PRO 41 1.974 11.630 2.384 314 HD2 PRO 41 HD2 PRO 41 3.496 9.762 3.600 315 HD3 PRO 41 HD3 PRO 41 1.826 9.418 3.089 316 H LEU 42 H LEU 42 3.893 9.196 -2.008 317 HA LEU 42 HA LEU 42 6.612 8.666 -1.758 318 HB2 LEU 42 HB2 LEU 42 4.898 8.889 -3.859 319 HB3 LEU 42 HB3 LEU 42 5.838 10.340 -4.069 320 HG LEU 42 HG LEU 42 7.291 9.192 -5.186 321 HD11 LEU 42 HD11 LEU 42 8.018 7.388 -2.842 322 HD12 LEU 42 HD12 LEU 42 8.620 9.038 -3.018 323 HD13 LEU 42 HD13 LEU 42 9.011 7.828 -4.237 324 HD21 LEU 42 HD21 LEU 42 7.106 6.674 -5.395 325 HD22 LEU 42 HD22 LEU 42 5.542 7.509 -5.532 326 HD23 LEU 42 HD23 LEU 42 5.985 6.719 -3.999 327 H SER 43 H SER 43 4.811 11.631 -1.519 328 HA SER 43 HA SER 43 6.795 13.595 -1.822 329 HB2 SER 43 HB2 SER 43 4.152 13.704 -1.574 330 HB3 SER 43 HB3 SER 43 4.506 13.900 0.144 331 HG SER 43 HG SER 43 5.533 15.813 -0.315 332 H VAL 44 H VAL 44 6.383 11.304 0.739 333 HA VAL 44 HA VAL 44 8.203 12.841 2.541 334 HB VAL 44 HB VAL 44 6.040 10.758 3.074 335 HG11 VAL 44 HG11 VAL 44 6.564 11.003 5.496 336 HG12 VAL 44 HG12 VAL 44 7.859 10.201 4.598 337 HG13 VAL 44 HG13 VAL 44 8.033 11.902 5.060 338 HG21 VAL 44 HG21 VAL 44 5.051 12.574 4.450 339 HG22 VAL 44 HG22 VAL 44 6.395 13.652 3.993 340 HG23 VAL 44 HG23 VAL 44 5.247 13.097 2.778 341 H LEU 45 H LEU 45 7.623 9.700 0.936 342 HA LEU 45 HA LEU 45 9.824 8.290 2.037 343 HB2 LEU 45 HB2 LEU 45 8.146 8.089 -0.449 344 HB3 LEU 45 HB3 LEU 45 9.628 7.198 -0.423 345 HG LEU 45 HG LEU 45 7.446 6.013 0.348 346 HD11 LEU 45 HD11 LEU 45 9.680 5.043 0.595 347 HD12 LEU 45 HD12 LEU 45 8.671 4.650 1.997 348 HD13 LEU 45 HD13 LEU 45 9.900 5.924 2.129 349 HD21 LEU 45 HD21 LEU 45 8.046 7.398 2.997 350 HD22 LEU 45 HD22 LEU 45 6.916 6.077 2.668 351 HD23 LEU 45 HD23 LEU 45 6.620 7.667 1.962 352 H GLU 46 H GLU 46 9.658 10.310 -0.896 353 HA GLU 46 HA GLU 46 12.343 9.948 -1.733 354 HB2 GLU 46 HB2 GLU 46 10.299 12.141 -2.120 355 HB3 GLU 46 HB3 GLU 46 11.917 12.303 -2.742 356 HG2 GLU 46 HG2 GLU 46 11.019 9.690 -3.542 357 HG3 GLU 46 HG3 GLU 46 9.667 10.771 -3.784 358 H GLN 47 H GLN 47 11.057 11.810 0.814 359 HA GLN 47 HA GLN 47 13.289 13.700 1.098 360 HB2 GLN 47 HB2 GLN 47 10.796 13.391 2.771 361 HB3 GLN 47 HB3 GLN 47 11.977 14.705 2.820 362 HG2 GLN 47 HG2 GLN 47 10.084 13.960 0.591 363 HG3 GLN 47 HG3 GLN 47 10.100 15.430 1.563 364 HE21 GLN 47 HE21 GLN 47 10.789 14.262 -1.378 365 HE22 GLN 47 HE22 GLN 47 12.250 15.154 -1.829 366 H SER 48 H SER 48 11.596 11.634 3.421 367 HA SER 48 HA SER 48 14.046 11.292 5.085 368 HB2 SER 48 HB2 SER 48 12.224 12.366 6.209 369 HB3 SER 48 HB3 SER 48 11.047 11.246 5.508 370 HG SER 48 HG SER 48 11.255 10.675 7.529 371 H GLY 49 H GLY 49 11.505 9.461 3.359 372 HA2 GLY 49 HA2 GLY 49 11.838 7.228 2.606 373 HA3 GLY 49 HA3 GLY 49 13.091 6.982 3.825 374 H LEU 50 H LEU 50 11.700 4.951 3.939 375 HA LEU 50 HA LEU 50 9.126 5.101 5.122 376 HB2 LEU 50 HB2 LEU 50 10.172 3.170 3.782 377 HB3 LEU 50 HB3 LEU 50 11.080 2.771 5.243 378 HG LEU 50 HG LEU 50 8.820 2.595 6.444 379 HD11 LEU 50 HD11 LEU 50 7.449 3.841 4.691 380 HD12 LEU 50 HD12 LEU 50 6.827 2.249 5.104 381 HD13 LEU 50 HD13 LEU 50 7.726 2.484 3.590 382 HD21 LEU 50 HD21 LEU 50 10.113 0.623 5.709 383 HD22 LEU 50 HD22 LEU 50 9.345 0.692 4.116 384 HD23 LEU 50 HD23 LEU 50 8.374 0.334 5.550 385 HA PRO 51 HA PRO 51 10.496 5.934 9.305 386 HB2 PRO 51 HB2 PRO 51 8.188 5.400 10.720 387 HB3 PRO 51 HB3 PRO 51 8.381 6.853 9.681 388 HG2 PRO 51 HG2 PRO 51 7.012 4.249 9.062 389 HG3 PRO 51 HG3 PRO 51 6.445 5.911 8.715 390 HD2 PRO 51 HD2 PRO 51 7.661 4.326 6.858 391 HD3 PRO 51 HD3 PRO 51 7.861 6.084 6.833 392 H ALA 52 H ALA 52 10.952 4.841 11.309 393 HA ALA 52 HA ALA 52 11.670 2.153 11.072 394 HB1 ALA 52 HB1 ALA 52 11.293 3.704 13.658 395 HB2 ALA 52 HB2 ALA 52 12.332 2.297 13.388 396 HB3 ALA 52 HB3 ALA 52 12.720 3.824 12.592 397 H LYS 53 H LYS 53 8.538 3.347 11.651 398 HA LYS 53 HA LYS 53 7.622 1.076 13.280 399 HB2 LYS 53 HB2 LYS 53 5.969 3.240 11.898 400 HB3 LYS 53 HB3 LYS 53 5.432 2.134 13.163 401 HG2 LYS 53 HG2 LYS 53 7.526 4.330 13.484 402 HG3 LYS 53 HG3 LYS 53 5.853 4.400 14.021 403 HD2 LYS 53 HD2 LYS 53 6.205 2.580 15.611 404 HD3 LYS 53 HD3 LYS 53 7.883 2.362 15.046 405 HE2 LYS 53 HE2 LYS 53 8.450 4.650 15.691 406 HE3 LYS 53 HE3 LYS 53 6.792 4.945 16.223 407 HZ1 LYS 53 HZ1 LYS 53 8.615 2.937 17.405 408 HZ2 LYS 53 HZ2 LYS 53 7.084 3.282 17.927 409 HZ3 LYS 53 HZ3 LYS 53 8.257 4.404 18.049 410 H LEU 54 H LEU 54 6.894 2.289 9.992 411 HA LEU 54 HA LEU 54 5.353 -0.011 9.199 412 HB2 LEU 54 HB2 LEU 54 6.680 2.273 7.666 413 HB3 LEU 54 HB3 LEU 54 5.600 1.127 6.906 414 HG LEU 54 HG LEU 54 4.791 2.899 9.233 415 HD11 LEU 54 HD11 LEU 54 5.306 4.219 7.157 416 HD12 LEU 54 HD12 LEU 54 3.616 4.297 7.649 417 HD13 LEU 54 HD13 LEU 54 4.094 3.270 6.288 418 HD21 LEU 54 HD21 LEU 54 2.623 2.154 8.930 419 HD22 LEU 54 HD22 LEU 54 3.507 0.672 8.748 420 HD23 LEU 54 HD23 LEU 54 2.916 1.490 7.298 421 H ARG 55 H ARG 55 8.732 0.153 9.345 422 HA ARG 55 HA ARG 55 9.507 -1.253 6.976 423 HB2 ARG 55 HB2 ARG 55 11.719 -1.307 8.042 424 HB3 ARG 55 HB3 ARG 55 11.024 0.301 8.150 425 HG2 ARG 55 HG2 ARG 55 10.909 0.308 10.329 426 HG3 ARG 55 HG3 ARG 55 10.255 -1.315 10.504 427 HD2 ARG 55 HD2 ARG 55 13.160 -0.740 9.885 428 HD3 ARG 55 HD3 ARG 55 12.477 -0.873 11.518 429 HE ARG 55 HE ARG 55 11.871 -3.146 9.799 430 HH11 ARG 55 HH11 ARG 55 14.332 -1.723 11.892 431 HH12 ARG 55 HH12 ARG 55 15.173 -3.191 12.224 432 HH21 ARG 55 HH21 ARG 55 13.023 -5.157 10.144 433 HH22 ARG 55 HH22 ARG 55 14.556 -5.066 10.913 434 H HIS 56 H HIS 56 7.575 -2.605 8.372 435 HA HIS 56 HA HIS 56 8.494 -4.923 9.830 436 HB2 HIS 56 HB2 HIS 56 5.986 -4.216 8.388 437 HB3 HIS 56 HB3 HIS 56 6.313 -5.937 8.445 438 HD1 HIS 56 HD1 HIS 56 7.549 -4.391 11.666 439 HD2 HIS 56 HD2 HIS 56 3.952 -5.832 9.944 440 HE1 HIS 56 HE1 HIS 56 5.965 -4.811 13.569 441 H GLU 57 H GLU 57 8.661 -7.111 9.200 442 HA GLU 57 HA GLU 57 10.645 -7.792 7.579 443 HB2 GLU 57 HB2 GLU 57 8.205 -9.554 8.031 444 HB3 GLU 57 HB3 GLU 57 9.849 -10.064 7.639 445 HG2 GLU 57 HG2 GLU 57 10.369 -8.629 9.896 446 HG3 GLU 57 HG3 GLU 57 8.706 -9.116 10.242 447 H GLN 58 H GLN 58 7.239 -7.805 6.433 448 HA GLN 58 HA GLN 58 8.173 -7.707 3.641 449 HB2 GLN 58 HB2 GLN 58 5.965 -9.560 4.623 450 HB3 GLN 58 HB3 GLN 58 6.538 -9.347 2.975 451 HG2 GLN 58 HG2 GLN 58 7.844 -11.098 3.250 452 HG3 GLN 58 HG3 GLN 58 8.883 -10.148 4.256 453 HE21 GLN 58 HE21 GLN 58 9.541 -11.833 5.771 454 HE22 GLN 58 HE22 GLN 58 8.349 -12.680 6.753 455 H ILE 59 H ILE 59 6.987 -6.275 2.486 456 HA ILE 59 HA ILE 59 4.445 -5.369 3.623 457 HB ILE 59 HB ILE 59 4.952 -3.167 3.723 458 HG12 ILE 59 HG12 ILE 59 7.352 -3.622 1.951 459 HG13 ILE 59 HG13 ILE 59 5.868 -2.775 1.544 460 HG21 ILE 59 HG21 ILE 59 6.136 -4.359 5.549 461 HG22 ILE 59 HG22 ILE 59 7.629 -4.277 4.617 462 HG23 ILE 59 HG23 ILE 59 6.844 -2.796 5.181 463 HD11 ILE 59 HD11 ILE 59 7.973 -1.766 3.466 464 HD12 ILE 59 HD12 ILE 59 7.562 -1.137 1.867 465 HD13 ILE 59 HD13 ILE 59 6.387 -1.021 3.193 466 H ILE 60 H ILE 60 3.222 -4.100 2.009 467 HA ILE 60 HA ILE 60 3.965 -4.764 -0.817 468 HB ILE 60 HB ILE 60 1.193 -4.977 0.420 469 HG12 ILE 60 HG12 ILE 60 1.977 -7.510 -0.655 470 HG13 ILE 60 HG13 ILE 60 3.350 -6.988 0.259 471 HG21 ILE 60 HG21 ILE 60 2.166 -5.689 -2.381 472 HG22 ILE 60 HG22 ILE 60 0.543 -5.969 -1.734 473 HG23 ILE 60 HG23 ILE 60 1.131 -4.317 -1.950 474 HD11 ILE 60 HD11 ILE 60 0.502 -7.174 1.326 475 HD12 ILE 60 HD12 ILE 60 1.828 -8.312 1.644 476 HD13 ILE 60 HD13 ILE 60 1.919 -6.656 2.270 477 H PHE 61 H PHE 61 3.527 -3.087 -2.292 478 HA PHE 61 HA PHE 61 2.791 -0.504 -1.049 479 HB2 PHE 61 HB2 PHE 61 4.162 -1.046 -3.706 480 HB3 PHE 61 HB3 PHE 61 3.744 0.522 -3.070 481 HD1 PHE 61 HD1 PHE 61 4.649 0.698 -0.397 482 HD2 PHE 61 HD2 PHE 61 6.493 -1.342 -3.698 483 HE1 PHE 61 HE1 PHE 61 6.873 0.978 0.670 484 HE2 PHE 61 HE2 PHE 61 8.738 -0.870 -2.730 485 HZ PHE 61 HZ PHE 61 8.919 0.322 -0.577 486 H HIS 62 H HIS 62 1.122 0.747 -1.981 487 HA HIS 62 HA HIS 62 -0.416 -0.394 -4.236 488 HB2 HIS 62 HB2 HIS 62 -1.580 0.424 -1.540 489 HB3 HIS 62 HB3 HIS 62 -2.527 0.343 -3.015 490 HD1 HIS 62 HD1 HIS 62 -0.119 -2.542 -2.532 491 HD2 HIS 62 HD2 HIS 62 -4.126 -1.538 -1.666 492 HE1 HIS 62 HE1 HIS 62 -1.285 -4.661 -1.660 493 H CYS 63 H CYS 63 -1.481 1.153 -5.382 494 HA CYS 63 HA CYS 63 -1.174 4.020 -4.864 495 HB2 CYS 63 HB2 CYS 63 -0.183 2.513 -7.321 496 HB3 CYS 63 HB3 CYS 63 -0.607 4.235 -7.371 497 HG CYS 63 HG CYS 63 1.049 5.097 -5.626 498 H GLN 64 H GLN 64 -2.480 4.925 -7.131 499 HA GLN 64 HA GLN 64 -5.197 4.173 -6.684 500 HB2 GLN 64 HB2 GLN 64 -3.842 5.591 -9.007 501 HB3 GLN 64 HB3 GLN 64 -5.582 5.451 -8.816 502 HG2 GLN 64 HG2 GLN 64 -5.620 6.710 -6.797 503 HG3 GLN 64 HG3 GLN 64 -3.876 6.623 -6.581 504 HE21 GLN 64 HE21 GLN 64 -5.985 8.914 -7.067 505 HE22 GLN 64 HE22 GLN 64 -5.063 9.964 -8.137 506 H ALA 65 H ALA 65 -2.734 3.133 -9.033 507 HA ALA 65 HA ALA 65 -4.101 0.656 -9.675 508 HB1 ALA 65 HB1 ALA 65 -3.191 2.718 -11.750 509 HB2 ALA 65 HB2 ALA 65 -3.681 1.029 -12.085 510 HB3 ALA 65 HB3 ALA 65 -4.850 2.176 -11.427 511 H GLY 66 H GLY 66 -1.602 1.191 -11.736 512 HA2 GLY 66 HA2 GLY 66 0.571 0.433 -9.805 513 HA3 GLY 66 HA3 GLY 66 0.429 -0.193 -11.432 514 H LYS 67 H LYS 67 -0.287 2.837 -12.085 515 HA LYS 67 HA LYS 67 1.988 3.581 -13.374 516 HB2 LYS 67 HB2 LYS 67 0.975 5.738 -13.635 517 HB3 LYS 67 HB3 LYS 67 -0.212 4.447 -13.821 518 HG2 LYS 67 HG2 LYS 67 -1.067 4.870 -11.539 519 HG3 LYS 67 HG3 LYS 67 0.123 6.150 -11.315 520 HD2 LYS 67 HD2 LYS 67 -2.155 6.178 -13.343 521 HD3 LYS 67 HD3 LYS 67 -2.116 7.004 -11.797 522 HE2 LYS 67 HE2 LYS 67 -1.570 8.717 -13.226 523 HE3 LYS 67 HE3 LYS 67 0.023 8.212 -12.653 524 HZ1 LYS 67 HZ1 LYS 67 -0.870 8.441 -15.220 525 HZ2 LYS 67 HZ2 LYS 67 -0.755 6.822 -15.027 526 HZ3 LYS 67 HZ3 LYS 67 0.575 7.805 -14.778 527 H ARG 68 H ARG 68 2.078 3.761 -9.993 528 HA ARG 68 HA ARG 68 4.282 5.793 -10.189 529 HB2 ARG 68 HB2 ARG 68 2.093 5.744 -8.087 530 HB3 ARG 68 HB3 ARG 68 3.656 6.539 -7.877 531 HG2 ARG 68 HG2 ARG 68 3.132 7.729 -10.137 532 HG3 ARG 68 HG3 ARG 68 1.465 7.208 -9.869 533 HD2 ARG 68 HD2 ARG 68 1.356 8.405 -7.768 534 HD3 ARG 68 HD3 ARG 68 3.082 8.790 -7.824 535 HE ARG 68 HE ARG 68 0.933 10.213 -9.048 536 HH11 ARG 68 HH11 ARG 68 4.402 9.472 -9.493 537 HH12 ARG 68 HH12 ARG 68 4.725 10.953 -10.339 538 HH21 ARG 68 HH21 ARG 68 1.313 11.938 -10.432 539 HH22 ARG 68 HH22 ARG 68 2.870 12.287 -11.092 540 H THR 69 H THR 69 3.066 2.800 -8.849 541 HA THR 69 HA THR 69 5.155 2.368 -6.969 542 HB THR 69 HB THR 69 4.095 -0.105 -7.772 543 HG1 THR 69 HG1 THR 69 1.822 0.431 -7.848 544 HG21 THR 69 HG21 THR 69 3.012 1.808 -5.667 545 HG22 THR 69 HG22 THR 69 4.357 0.679 -5.462 546 HG23 THR 69 HG23 THR 69 2.710 0.071 -5.735 547 H SER 70 H SER 70 4.504 0.513 -10.047 548 HA SER 70 HA SER 70 7.122 -0.504 -10.158 549 HB2 SER 70 HB2 SER 70 6.609 -1.054 -12.494 550 HB3 SER 70 HB3 SER 70 5.262 -1.464 -11.417 551 HG SER 70 HG SER 70 4.596 -0.357 -13.327 552 H ASN 71 H ASN 71 5.757 2.489 -11.219 553 HA ASN 71 HA ASN 71 7.954 3.367 -12.918 554 HB2 ASN 71 HB2 ASN 71 5.687 4.844 -11.599 555 HB3 ASN 71 HB3 ASN 71 6.937 5.694 -12.500 556 HD21 ASN 71 HD21 ASN 71 6.993 5.572 -14.728 557 HD22 ASN 71 HD22 ASN 71 5.763 4.734 -15.694 558 H ASN 72 H ASN 72 7.850 3.301 -9.418 559 HA ASN 72 HA ASN 72 10.372 4.905 -9.353 560 HB2 ASN 72 HB2 ASN 72 8.025 4.826 -7.428 561 HB3 ASN 72 HB3 ASN 72 9.616 5.411 -6.958 562 HD21 ASN 72 HD21 ASN 72 9.428 7.590 -6.698 563 HD22 ASN 72 HD22 ASN 72 8.487 8.581 -7.787 564 H ALA 73 H ALA 73 9.309 1.859 -9.280 565 HA ALA 73 HA ALA 73 9.798 0.429 -7.123 566 HB1 ALA 73 HB1 ALA 73 10.551 -0.093 -10.011 567 HB2 ALA 73 HB2 ALA 73 10.528 -1.340 -8.768 568 HB3 ALA 73 HB3 ALA 73 9.025 -0.507 -9.184 569 H ASP 74 H ASP 74 12.425 1.809 -9.182 570 HA ASP 74 HA ASP 74 14.582 0.356 -8.419 571 HB2 ASP 74 HB2 ASP 74 14.050 3.254 -9.211 572 HB3 ASP 74 HB3 ASP 74 15.638 2.639 -8.902 573 H LYS 75 H LYS 75 13.716 3.575 -7.201 574 HA LYS 75 HA LYS 75 15.265 3.247 -4.800 575 HB2 LYS 75 HB2 LYS 75 13.275 5.492 -4.989 576 HB3 LYS 75 HB3 LYS 75 14.877 5.433 -4.274 577 HG2 LYS 75 HG2 LYS 75 15.408 6.649 -6.139 578 HG3 LYS 75 HG3 LYS 75 15.656 5.052 -6.809 579 HD2 LYS 75 HD2 LYS 75 14.257 5.792 -8.446 580 HD3 LYS 75 HD3 LYS 75 12.953 5.336 -7.302 581 HE2 LYS 75 HE2 LYS 75 12.685 7.615 -6.586 582 HE3 LYS 75 HE3 LYS 75 14.309 8.050 -7.085 583 HZ1 LYS 75 HZ1 LYS 75 13.605 7.854 -9.394 584 HZ2 LYS 75 HZ2 LYS 75 12.894 9.058 -8.545 585 HZ3 LYS 75 HZ3 LYS 75 12.046 7.674 -8.940 586 H LEU 76 H LEU 76 11.809 3.064 -5.574 587 HA LEU 76 HA LEU 76 10.850 3.091 -2.873 588 HB2 LEU 76 HB2 LEU 76 9.793 1.631 -5.315 589 HB3 LEU 76 HB3 LEU 76 9.017 1.430 -3.750 590 HG LEU 76 HG LEU 76 9.413 4.109 -5.106 591 HD11 LEU 76 HD11 LEU 76 7.850 2.655 -6.364 592 HD12 LEU 76 HD12 LEU 76 6.987 4.003 -5.604 593 HD13 LEU 76 HD13 LEU 76 6.900 2.381 -4.896 594 HD21 LEU 76 HD21 LEU 76 7.690 4.861 -3.423 595 HD22 LEU 76 HD22 LEU 76 9.107 4.233 -2.585 596 HD23 LEU 76 HD23 LEU 76 7.650 3.221 -2.746 597 H ALA 77 H ALA 77 12.072 0.252 -4.722 598 HA ALA 77 HA ALA 77 11.702 -1.700 -2.608 599 HB1 ALA 77 HB1 ALA 77 12.258 -2.518 -4.713 600 HB2 ALA 77 HB2 ALA 77 13.699 -1.470 -4.877 601 HB3 ALA 77 HB3 ALA 77 13.670 -2.790 -3.692 602 H ALA 78 H ALA 78 14.552 0.285 -3.575 603 HA ALA 78 HA ALA 78 16.376 -0.403 -1.627 604 HB1 ALA 78 HB1 ALA 78 15.946 2.244 -3.066 605 HB2 ALA 78 HB2 ALA 78 17.397 1.831 -2.216 606 HB3 ALA 78 HB3 ALA 78 16.920 0.871 -3.631 607 H ILE 79 H ILE 79 14.011 2.263 -1.421 608 HA ILE 79 HA ILE 79 14.830 3.285 1.102 609 HB ILE 79 HB ILE 79 12.158 3.464 -0.376 610 HG12 ILE 79 HG12 ILE 79 14.220 5.690 -0.127 611 HG13 ILE 79 HG13 ILE 79 14.289 4.565 -1.449 612 HG21 ILE 79 HG21 ILE 79 13.207 4.913 2.087 613 HG22 ILE 79 HG22 ILE 79 11.880 5.537 1.104 614 HG23 ILE 79 HG23 ILE 79 11.700 3.971 1.911 615 HD11 ILE 79 HD11 ILE 79 11.880 5.205 -2.046 616 HD12 ILE 79 HD12 ILE 79 12.004 6.523 -0.857 617 HD13 ILE 79 HD13 ILE 79 13.080 6.478 -2.250 618 H ALA 80 H ALA 80 12.372 0.776 0.240 619 HA ALA 80 HA ALA 80 11.526 0.540 3.043 620 HB1 ALA 80 HB1 ALA 80 9.866 0.146 1.370 621 HB2 ALA 80 HB2 ALA 80 10.915 -1.021 0.518 622 HB3 ALA 80 HB3 ALA 80 10.225 -1.422 2.107 623 H ALA 81 H ALA 81 13.766 -1.183 0.872 624 HA ALA 81 HA ALA 81 14.109 -3.506 2.420 625 HB1 ALA 81 HB1 ALA 81 16.035 -2.048 0.557 626 HB2 ALA 81 HB2 ALA 81 16.257 -3.710 1.119 627 HB3 ALA 81 HB3 ALA 81 14.866 -3.311 0.092 628 HA PRO 82 HA PRO 82 16.176 -4.860 2.962 629 HB2 PRO 82 HB2 PRO 82 16.997 -6.035 5.283 630 HB3 PRO 82 HB3 PRO 82 18.094 -5.172 4.168 631 HG2 PRO 82 HG2 PRO 82 16.847 -4.139 6.718 632 HG3 PRO 82 HG3 PRO 82 18.538 -3.985 6.169 633 HD2 PRO 82 HD2 PRO 82 16.657 -1.999 5.829 634 HD3 PRO 82 HD3 PRO 82 18.001 -2.264 4.684 635 H ALA 83 H ALA 83 14.341 -5.968 2.777 636 HA ALA 83 HA ALA 83 12.773 -7.331 4.368 637 HB1 ALA 83 HB1 ALA 83 11.981 -5.551 5.735 638 HB2 ALA 83 HB2 ALA 83 11.799 -4.459 4.346 639 HB3 ALA 83 HB3 ALA 83 10.697 -5.838 4.572 640 H GLU 84 H GLU 84 10.597 -7.725 3.179 641 HA GLU 84 HA GLU 84 11.178 -7.754 0.268 642 HB2 GLU 84 HB2 GLU 84 9.135 -9.196 2.000 643 HB3 GLU 84 HB3 GLU 84 9.024 -9.119 0.253 644 HG2 GLU 84 HG2 GLU 84 10.051 -11.106 0.418 645 HG3 GLU 84 HG3 GLU 84 11.453 -10.069 0.231 646 H ILE 85 H ILE 85 9.835 -6.776 -1.275 647 HA ILE 85 HA ILE 85 7.586 -5.119 -0.385 648 HB ILE 85 HB ILE 85 8.425 -3.638 -2.393 649 HG12 ILE 85 HG12 ILE 85 10.541 -5.183 -2.623 650 HG13 ILE 85 HG13 ILE 85 10.627 -3.461 -2.860 651 HG21 ILE 85 HG21 ILE 85 7.890 -2.785 -0.241 652 HG22 ILE 85 HG22 ILE 85 9.391 -3.444 0.473 653 HG23 ILE 85 HG23 ILE 85 9.459 -2.136 -0.724 654 HD11 ILE 85 HD11 ILE 85 11.373 -4.849 -0.245 655 HD12 ILE 85 HD12 ILE 85 12.529 -4.296 -1.478 656 HD13 ILE 85 HD13 ILE 85 11.572 -3.127 -0.595 657 H PHE 86 H PHE 86 5.845 -5.211 -1.764 658 HA PHE 86 HA PHE 86 6.076 -6.713 -4.326 659 HB2 PHE 86 HB2 PHE 86 3.987 -7.101 -2.155 660 HB3 PHE 86 HB3 PHE 86 3.937 -7.837 -3.750 661 HD1 PHE 86 HD1 PHE 86 5.386 -7.986 -0.412 662 HD2 PHE 86 HD2 PHE 86 5.568 -9.573 -4.405 663 HE1 PHE 86 HE1 PHE 86 6.773 -9.887 0.403 664 HE2 PHE 86 HE2 PHE 86 6.914 -11.483 -3.599 665 HZ PHE 86 HZ PHE 86 7.562 -11.625 -1.192 666 H LEU 87 H LEU 87 3.984 -6.377 -5.610 667 HA LEU 87 HA LEU 87 2.824 -3.639 -5.257 668 HB2 LEU 87 HB2 LEU 87 3.625 -5.060 -7.833 669 HB3 LEU 87 HB3 LEU 87 2.821 -3.497 -7.729 670 HG LEU 87 HG LEU 87 5.685 -4.180 -6.950 671 HD11 LEU 87 HD11 LEU 87 6.234 -2.571 -8.727 672 HD12 LEU 87 HD12 LEU 87 4.501 -2.261 -9.011 673 HD13 LEU 87 HD13 LEU 87 5.196 -3.858 -9.362 674 HD21 LEU 87 HD21 LEU 87 5.747 -1.565 -6.645 675 HD22 LEU 87 HD22 LEU 87 5.188 -2.585 -5.317 676 HD23 LEU 87 HD23 LEU 87 4.006 -1.757 -6.326 677 H LEU 88 H LEU 88 0.595 -3.495 -5.663 678 HA LEU 88 HA LEU 88 -0.839 -6.056 -5.757 679 HB2 LEU 88 HB2 LEU 88 -1.275 -4.005 -4.287 680 HB3 LEU 88 HB3 LEU 88 -2.071 -3.268 -5.646 681 HG LEU 88 HG LEU 88 -3.585 -4.282 -4.002 682 HD11 LEU 88 HD11 LEU 88 -3.890 -5.922 -6.518 683 HD12 LEU 88 HD12 LEU 88 -4.345 -4.198 -6.352 684 HD13 LEU 88 HD13 LEU 88 -5.108 -5.425 -5.331 685 HD21 LEU 88 HD21 LEU 88 -3.728 -6.577 -3.482 686 HD22 LEU 88 HD22 LEU 88 -2.009 -6.165 -3.389 687 HD23 LEU 88 HD23 LEU 88 -2.624 -7.056 -4.789 688 H GLU 89 H GLU 89 -1.762 -6.896 -7.525 689 HA GLU 89 HA GLU 89 -1.371 -6.221 -10.127 690 HB2 GLU 89 HB2 GLU 89 -2.098 -8.361 -9.243 691 HB3 GLU 89 HB3 GLU 89 -3.663 -7.692 -8.764 692 HG2 GLU 89 HG2 GLU 89 -4.300 -7.398 -11.112 693 HG3 GLU 89 HG3 GLU 89 -2.686 -7.916 -11.639 694 H ASP 90 H ASP 90 -3.785 -4.648 -8.110 695 HA ASP 90 HA ASP 90 -4.691 -3.118 -10.506 696 HB2 ASP 90 HB2 ASP 90 -6.246 -5.103 -9.192 697 HB3 ASP 90 HB3 ASP 90 -6.903 -3.560 -8.680 698 H GLY 91 H GLY 91 -3.056 -2.697 -7.791 699 HA2 GLY 91 HA2 GLY 91 -2.532 -0.760 -6.621 700 HA3 GLY 91 HA3 GLY 91 -3.758 0.125 -7.553 701 H ILE 92 H ILE 92 -5.536 0.765 -6.430 702 HA ILE 92 HA ILE 92 -6.364 -0.723 -3.982 703 HB ILE 92 HB ILE 92 -5.461 1.591 -3.838 704 HG12 ILE 92 HG12 ILE 92 -7.092 0.460 -2.179 705 HG13 ILE 92 HG13 ILE 92 -6.689 2.154 -2.014 706 HG21 ILE 92 HG21 ILE 92 -8.033 2.502 -5.161 707 HG22 ILE 92 HG22 ILE 92 -6.812 3.542 -4.402 708 HG23 ILE 92 HG23 ILE 92 -6.403 2.596 -5.839 709 HD11 ILE 92 HD11 ILE 92 -8.851 2.846 -2.909 710 HD12 ILE 92 HD12 ILE 92 -9.314 1.154 -3.181 711 HD13 ILE 92 HD13 ILE 92 -9.044 1.743 -1.540 712 H ASP 93 H ASP 93 -7.283 0.328 -7.170 713 HA ASP 93 HA ASP 93 -10.080 0.341 -6.953 714 HB2 ASP 93 HB2 ASP 93 -8.039 0.259 -9.092 715 HB3 ASP 93 HB3 ASP 93 -9.553 -0.445 -9.567 716 H GLY 94 H GLY 94 -7.967 -2.470 -7.055 717 HA2 GLY 94 HA2 GLY 94 -10.160 -4.304 -7.728 718 HA3 GLY 94 HA3 GLY 94 -8.486 -4.711 -7.336 719 H TRP 95 H TRP 95 -8.648 -2.988 -4.859 720 HA TRP 95 HA TRP 95 -9.129 -4.922 -2.898 721 HB2 TRP 95 HB2 TRP 95 -7.808 -2.730 -2.803 722 HB3 TRP 95 HB3 TRP 95 -9.334 -1.909 -2.513 723 HD1 TRP 95 HD1 TRP 95 -10.443 -2.193 -0.120 724 HE1 TRP 95 HE1 TRP 95 -9.559 -2.945 2.129 725 HE3 TRP 95 HE3 TRP 95 -6.028 -4.315 -1.703 726 HZ2 TRP 95 HZ2 TRP 95 -7.333 -4.587 3.111 727 HZ3 TRP 95 HZ3 TRP 95 -4.536 -5.393 -0.067 728 HH2 TRP 95 HH2 TRP 95 -5.173 -5.563 2.332 729 H LYS 96 H LYS 96 -11.223 -2.276 -4.075 730 HA LYS 96 HA LYS 96 -13.415 -2.781 -2.318 731 HB2 LYS 96 HB2 LYS 96 -13.441 -1.526 -5.093 732 HB3 LYS 96 HB3 LYS 96 -14.780 -1.521 -3.927 733 HG2 LYS 96 HG2 LYS 96 -13.308 -0.318 -2.292 734 HG3 LYS 96 HG3 LYS 96 -12.058 -0.220 -3.538 735 HD2 LYS 96 HD2 LYS 96 -13.651 1.011 -5.014 736 HD3 LYS 96 HD3 LYS 96 -14.896 0.901 -3.751 737 HE2 LYS 96 HE2 LYS 96 -13.351 2.108 -2.188 738 HE3 LYS 96 HE3 LYS 96 -12.204 2.312 -3.526 739 HZ1 LYS 96 HZ1 LYS 96 -13.982 3.497 -4.699 740 HZ2 LYS 96 HZ2 LYS 96 -13.481 4.267 -3.331 741 HZ3 LYS 96 HZ3 LYS 96 -14.926 3.446 -3.334 742 H LYS 97 H LYS 97 -12.751 -4.008 -5.653 743 HA LYS 97 HA LYS 97 -15.211 -5.458 -5.898 744 HB2 LYS 97 HB2 LYS 97 -13.812 -4.912 -7.805 745 HB3 LYS 97 HB3 LYS 97 -12.489 -5.908 -7.198 746 HG2 LYS 97 HG2 LYS 97 -13.783 -7.945 -7.455 747 HG3 LYS 97 HG3 LYS 97 -15.245 -7.045 -7.852 748 HD2 LYS 97 HD2 LYS 97 -12.688 -7.096 -9.512 749 HD3 LYS 97 HD3 LYS 97 -14.120 -8.066 -9.845 750 HE2 LYS 97 HE2 LYS 97 -14.029 -5.017 -9.813 751 HE3 LYS 97 HE3 LYS 97 -13.924 -6.005 -11.257 752 HZ1 LYS 97 HZ1 LYS 97 -16.160 -6.821 -10.787 753 HZ2 LYS 97 HZ2 LYS 97 -16.153 -5.188 -10.896 754 HZ3 LYS 97 HZ3 LYS 97 -16.254 -5.893 -9.435 755 H ALA 98 H ALA 98 -12.025 -6.379 -4.523 756 HA ALA 98 HA ALA 98 -12.714 -9.100 -3.987 757 HB1 ALA 98 HB1 ALA 98 -10.400 -8.240 -4.031 758 HB2 ALA 98 HB2 ALA 98 -10.768 -7.207 -2.627 759 HB3 ALA 98 HB3 ALA 98 -10.766 -8.982 -2.459 760 H GLY 99 H GLY 99 -13.837 -6.194 -2.548 761 HA2 GLY 99 HA2 GLY 99 -15.386 -5.818 -0.882 762 HA3 GLY 99 HA3 GLY 99 -15.551 -7.555 -0.660 763 H LEU 100 H LEU 100 -12.419 -6.003 -0.473 764 HA LEU 100 HA LEU 100 -11.991 -7.000 2.218 765 HB2 LEU 100 HB2 LEU 100 -10.371 -5.277 0.340 766 HB3 LEU 100 HB3 LEU 100 -9.765 -5.842 1.887 767 HG LEU 100 HG LEU 100 -10.651 -7.649 -0.397 768 HD11 LEU 100 HD11 LEU 100 -8.238 -8.106 -0.653 769 HD12 LEU 100 HD12 LEU 100 -7.879 -6.869 0.571 770 HD13 LEU 100 HD13 LEU 100 -8.628 -6.419 -0.970 771 HD21 LEU 100 HD21 LEU 100 -9.534 -8.250 2.350 772 HD22 LEU 100 HD22 LEU 100 -9.362 -9.385 0.997 773 HD23 LEU 100 HD23 LEU 100 -10.970 -8.923 1.561 774 HA PRO 101 HA PRO 101 -13.416 -3.580 4.491 775 HB2 PRO 101 HB2 PRO 101 -11.685 -3.274 6.600 776 HB3 PRO 101 HB3 PRO 101 -12.795 -4.657 6.395 777 HG2 PRO 101 HG2 PRO 101 -9.861 -4.503 5.637 778 HG3 PRO 101 HG3 PRO 101 -10.697 -5.791 6.565 779 HD2 PRO 101 HD2 PRO 101 -10.229 -6.025 3.896 780 HD3 PRO 101 HD3 PRO 101 -11.743 -6.639 4.616 781 H VAL 102 H VAL 102 -13.155 -1.414 5.251 782 HA VAL 102 HA VAL 102 -10.902 0.179 4.229 783 HB VAL 102 HB VAL 102 -12.634 1.841 3.392 784 HG11 VAL 102 HG11 VAL 102 -12.729 0.994 1.205 785 HG12 VAL 102 HG12 VAL 102 -11.164 0.605 1.924 786 HG13 VAL 102 HG13 VAL 102 -12.392 -0.682 1.758 787 HG21 VAL 102 HG21 VAL 102 -14.603 0.827 4.453 788 HG22 VAL 102 HG22 VAL 102 -14.801 1.120 2.714 789 HG23 VAL 102 HG23 VAL 102 -14.510 -0.527 3.296 790 H ALA 103 H ALA 103 -11.496 2.546 4.885 791 HA ALA 103 HA ALA 103 -12.581 2.806 7.612 792 HB1 ALA 103 HB1 ALA 103 -10.711 4.407 8.001 793 HB2 ALA 103 HB2 ALA 103 -10.106 2.751 7.777 794 HB3 ALA 103 HB3 ALA 103 -9.974 3.933 6.462 795 H VAL 104 H VAL 104 -14.482 3.438 6.592 796 HA VAL 104 HA VAL 104 -14.456 5.961 5.006 797 HB VAL 104 HB VAL 104 -16.625 5.120 4.025 798 HG11 VAL 104 HG11 VAL 104 -14.721 5.035 2.637 799 HG12 VAL 104 HG12 VAL 104 -14.103 3.560 3.425 800 HG13 VAL 104 HG13 VAL 104 -15.579 3.519 2.441 801 HG21 VAL 104 HG21 VAL 104 -17.129 2.720 4.074 802 HG22 VAL 104 HG22 VAL 104 -15.809 2.446 5.221 803 HG23 VAL 104 HG23 VAL 104 -17.214 3.412 5.701 804 H ASN 105 H ASN 105 -17.188 6.565 5.281 805 HA ASN 105 HA ASN 105 -17.628 6.579 8.225 806 HB2 ASN 105 HB2 ASN 105 -16.591 8.736 7.675 807 HB3 ASN 105 HB3 ASN 105 -17.819 9.024 6.426 808 HD21 ASN 105 HD21 ASN 105 -17.641 8.023 9.912 809 HD22 ASN 105 HD22 ASN 105 -18.997 8.998 10.426 810 H LYS 106 H LYS 106 -19.172 7.467 5.101 811 HA LYS 106 HA LYS 106 -21.732 6.396 6.227 812 HB2 LYS 106 HB2 LYS 106 -21.222 8.380 3.960 813 HB3 LYS 106 HB3 LYS 106 -22.809 7.713 4.399 814 HG2 LYS 106 HG2 LYS 106 -22.533 8.635 6.707 815 HG3 LYS 106 HG3 LYS 106 -20.984 9.326 6.214 816 HD2 LYS 106 HD2 LYS 106 -22.071 10.786 4.592 817 HD3 LYS 106 HD3 LYS 106 -23.635 10.044 4.899 818 HE2 LYS 106 HE2 LYS 106 -23.280 12.254 6.050 819 HE3 LYS 106 HE3 LYS 106 -23.744 10.936 7.121 820 HZ1 LYS 106 HZ1 LYS 106 -21.458 10.720 7.812 821 HZ2 LYS 106 HZ2 LYS 106 -21.894 12.310 7.959 822 HZ3 LYS 106 HZ3 LYS 106 -20.964 11.812 6.693 823 H SER 107 H SER 107 -22.775 4.734 5.051 824 HA SER 107 HA SER 107 -20.993 3.327 3.204 825 HB2 SER 107 HB2 SER 107 -22.444 1.470 3.544 826 HB3 SER 107 HB3 SER 107 -22.127 2.206 5.115 827 HG SER 107 HG SER 107 -24.447 1.896 3.719 828 H GLN 108 H GLN 108 -22.807 2.070 1.526 829 HA GLN 108 HA GLN 108 -24.474 3.934 0.138 830 HB2 GLN 108 HB2 GLN 108 -22.207 4.548 -0.741 831 HB3 GLN 108 HB3 GLN 108 -21.913 2.850 -1.161 832 HG2 GLN 108 HG2 GLN 108 -23.703 2.862 -2.777 833 HG3 GLN 108 HG3 GLN 108 -24.265 4.452 -2.236 834 HE21 GLN 108 HE21 GLN 108 -21.428 2.795 -3.763 835 HE22 GLN 108 HE22 GLN 108 -20.987 4.197 -4.715 Start of MODEL 3 1 H ALA 1 H ALA 1 13.281 -9.291 -2.112 2 HA ALA 1 HA ALA 1 12.890 -7.367 -3.488 3 HB1 ALA 1 HB1 ALA 1 13.519 -8.211 -5.706 4 HB2 ALA 1 HB2 ALA 1 14.367 -9.136 -4.456 5 HB3 ALA 1 HB3 ALA 1 12.959 -9.837 -5.284 6 H LEU 2 H LEU 2 11.891 -6.481 -5.370 7 HA LEU 2 HA LEU 2 9.131 -6.201 -5.146 8 HB2 LEU 2 HB2 LEU 2 10.959 -5.845 -7.543 9 HB3 LEU 2 HB3 LEU 2 9.304 -5.268 -7.507 10 HG LEU 2 HG LEU 2 11.303 -4.332 -5.434 11 HD11 LEU 2 HD11 LEU 2 10.940 -3.378 -8.309 12 HD12 LEU 2 HD12 LEU 2 12.411 -4.000 -7.548 13 HD13 LEU 2 HD13 LEU 2 11.782 -2.440 -7.053 14 HD21 LEU 2 HD21 LEU 2 8.928 -3.826 -5.033 15 HD22 LEU 2 HD22 LEU 2 8.793 -3.107 -6.638 16 HD23 LEU 2 HD23 LEU 2 9.827 -2.345 -5.412 17 H THR 3 H THR 3 7.671 -7.692 -5.392 18 HA THR 3 HA THR 3 7.525 -9.302 -7.884 19 HB THR 3 HB THR 3 6.766 -10.350 -5.126 20 HG1 THR 3 HG1 THR 3 8.444 -11.842 -5.565 21 HG21 THR 3 HG21 THR 3 6.764 -11.600 -7.911 22 HG22 THR 3 HG22 THR 3 5.379 -11.426 -6.799 23 HG23 THR 3 HG23 THR 3 6.653 -12.552 -6.430 24 H THR 4 H THR 4 5.040 -9.971 -8.186 25 HA THR 4 HA THR 4 3.295 -7.760 -7.271 26 HB THR 4 HB THR 4 2.248 -8.197 -9.632 27 HG1 THR 4 HG1 THR 4 3.817 -9.994 -10.017 28 HG21 THR 4 HG21 THR 4 3.292 -6.078 -9.100 29 HG22 THR 4 HG22 THR 4 3.814 -6.580 -10.712 30 HG23 THR 4 HG23 THR 4 4.920 -6.759 -9.334 31 H ILE 5 H ILE 5 1.348 -8.521 -6.361 32 HA ILE 5 HA ILE 5 0.786 -11.424 -6.689 33 HB ILE 5 HB ILE 5 0.278 -11.721 -4.495 34 HG12 ILE 5 HG12 ILE 5 -1.111 -9.907 -3.877 35 HG13 ILE 5 HG13 ILE 5 0.172 -10.041 -2.713 36 HG21 ILE 5 HG21 ILE 5 2.701 -9.876 -4.429 37 HG22 ILE 5 HG22 ILE 5 2.272 -11.109 -3.238 38 HG23 ILE 5 HG23 ILE 5 2.683 -11.594 -4.889 39 HD11 ILE 5 HD11 ILE 5 1.324 -8.097 -3.812 40 HD12 ILE 5 HD12 ILE 5 -0.061 -7.969 -4.930 41 HD13 ILE 5 HD13 ILE 5 -0.297 -7.713 -3.192 42 H SER 6 H SER 6 -1.596 -11.909 -5.902 43 HA SER 6 HA SER 6 -3.302 -10.477 -7.761 44 HB2 SER 6 HB2 SER 6 -4.863 -12.282 -7.271 45 HB3 SER 6 HB3 SER 6 -3.272 -12.918 -7.599 46 HG SER 6 HG SER 6 -2.975 -13.443 -5.535 47 HA PRO 7 HA PRO 7 -5.241 -7.648 -5.151 48 HB2 PRO 7 HB2 PRO 7 -8.008 -8.002 -5.391 49 HB3 PRO 7 HB3 PRO 7 -6.937 -7.109 -6.511 50 HG2 PRO 7 HG2 PRO 7 -7.910 -9.962 -6.699 51 HG3 PRO 7 HG3 PRO 7 -7.794 -8.732 -8.003 52 HD2 PRO 7 HD2 PRO 7 -5.932 -10.655 -7.707 53 HD3 PRO 7 HD3 PRO 7 -5.448 -9.002 -8.162 54 H HIS 8 H HIS 8 -6.652 -10.913 -4.483 55 HA HIS 8 HA HIS 8 -7.405 -10.064 -1.791 56 HB2 HIS 8 HB2 HIS 8 -8.603 -11.762 -3.224 57 HB3 HIS 8 HB3 HIS 8 -7.269 -12.877 -2.923 58 HD1 HIS 8 HD1 HIS 8 -9.763 -10.808 -0.670 59 HD2 HIS 8 HD2 HIS 8 -7.804 -14.538 -1.029 60 HE1 HIS 8 HE1 HIS 8 -10.553 -12.213 1.265 61 H ASP 9 H ASP 9 -4.616 -11.799 -3.274 62 HA ASP 9 HA ASP 9 -3.639 -12.835 -0.830 63 HB2 ASP 9 HB2 ASP 9 -2.784 -13.244 -3.295 64 HB3 ASP 9 HB3 ASP 9 -1.632 -11.998 -2.906 65 H ALA 10 H ALA 10 -3.518 -9.641 -2.129 66 HA ALA 10 HA ALA 10 -1.352 -8.480 -0.717 67 HB1 ALA 10 HB1 ALA 10 -2.653 -6.359 -0.872 68 HB2 ALA 10 HB2 ALA 10 -2.694 -7.262 -2.409 69 HB3 ALA 10 HB3 ALA 10 -4.104 -7.276 -1.319 70 H GLN 11 H GLN 11 -4.794 -8.818 0.316 71 HA GLN 11 HA GLN 11 -4.537 -7.820 2.919 72 HB2 GLN 11 HB2 GLN 11 -6.570 -8.225 1.402 73 HB3 GLN 11 HB3 GLN 11 -6.490 -9.899 1.896 74 HG2 GLN 11 HG2 GLN 11 -6.319 -8.145 4.231 75 HG3 GLN 11 HG3 GLN 11 -7.676 -7.678 3.234 76 HE21 GLN 11 HE21 GLN 11 -7.460 -9.044 5.958 77 HE22 GLN 11 HE22 GLN 11 -8.280 -10.576 5.797 78 H GLU 12 H GLU 12 -4.487 -11.090 1.586 79 HA GLU 12 HA GLU 12 -4.295 -12.692 3.892 80 HB2 GLU 12 HB2 GLU 12 -4.668 -13.367 1.495 81 HB3 GLU 12 HB3 GLU 12 -2.964 -13.082 1.197 82 HG2 GLU 12 HG2 GLU 12 -3.373 -15.428 1.496 83 HG3 GLU 12 HG3 GLU 12 -2.281 -14.776 2.713 84 H LEU 13 H LEU 13 -1.613 -11.083 2.078 85 HA LEU 13 HA LEU 13 0.451 -12.293 3.645 86 HB2 LEU 13 HB2 LEU 13 0.315 -9.665 2.105 87 HB3 LEU 13 HB3 LEU 13 1.795 -10.282 2.841 88 HG LEU 13 HG LEU 13 0.264 -11.698 0.629 89 HD11 LEU 13 HD11 LEU 13 1.296 -9.590 -0.115 90 HD12 LEU 13 HD12 LEU 13 2.119 -10.997 -0.802 91 HD13 LEU 13 HD13 LEU 13 2.864 -10.116 0.552 92 HD21 LEU 13 HD21 LEU 13 2.884 -12.330 2.009 93 HD22 LEU 13 HD22 LEU 13 2.343 -13.045 0.468 94 HD23 LEU 13 HD23 LEU 13 1.409 -13.322 1.944 95 H ILE 14 H ILE 14 -1.231 -9.163 3.972 96 HA ILE 14 HA ILE 14 0.164 -8.307 6.298 97 HB ILE 14 HB ILE 14 -2.652 -7.618 5.411 98 HG12 ILE 14 HG12 ILE 14 -0.385 -5.702 4.922 99 HG13 ILE 14 HG13 ILE 14 -0.376 -7.126 3.924 100 HG21 ILE 14 HG21 ILE 14 -2.368 -6.839 7.665 101 HG22 ILE 14 HG22 ILE 14 -0.729 -6.255 7.323 102 HG23 ILE 14 HG23 ILE 14 -2.125 -5.437 6.609 103 HD11 ILE 14 HD11 ILE 14 -2.761 -6.708 3.300 104 HD12 ILE 14 HD12 ILE 14 -2.690 -5.177 4.180 105 HD13 ILE 14 HD13 ILE 14 -1.640 -5.455 2.756 106 H ALA 15 H ALA 15 -2.890 -10.142 5.893 107 HA ALA 15 HA ALA 15 -3.559 -10.373 8.606 108 HB1 ALA 15 HB1 ALA 15 -5.058 -11.035 6.733 109 HB2 ALA 15 HB2 ALA 15 -4.018 -12.438 6.402 110 HB3 ALA 15 HB3 ALA 15 -4.893 -12.331 7.937 111 H ARG 16 H ARG 16 -1.356 -12.414 6.642 112 HA ARG 16 HA ARG 16 -0.827 -14.252 8.814 113 HB2 ARG 16 HB2 ARG 16 0.756 -13.628 6.288 114 HB3 ARG 16 HB3 ARG 16 1.061 -14.985 7.372 115 HG2 ARG 16 HG2 ARG 16 -0.968 -16.089 6.778 116 HG3 ARG 16 HG3 ARG 16 -1.645 -14.675 6.016 117 HD2 ARG 16 HD2 ARG 16 0.163 -14.687 4.327 118 HD3 ARG 16 HD3 ARG 16 0.878 -16.111 5.119 119 HE ARG 16 HE ARG 16 -1.878 -16.543 4.385 120 HH11 ARG 16 HH11 ARG 16 1.348 -16.187 2.922 121 HH12 ARG 16 HH12 ARG 16 1.001 -17.232 1.574 122 HH21 ARG 16 HH21 ARG 16 -2.323 -17.925 2.654 123 HH22 ARG 16 HH22 ARG 16 -1.089 -18.378 1.509 124 H GLY 17 H GLY 17 0.700 -11.190 7.729 125 HA2 GLY 17 HA2 GLY 17 1.844 -10.577 10.160 126 HA3 GLY 17 HA3 GLY 17 3.041 -11.617 9.398 127 H ALA 18 H ALA 18 1.912 -10.126 6.723 128 HA ALA 18 HA ALA 18 4.204 -8.378 6.557 129 HB1 ALA 18 HB1 ALA 18 1.811 -8.565 4.653 130 HB2 ALA 18 HB2 ALA 18 3.435 -7.965 4.286 131 HB3 ALA 18 HB3 ALA 18 3.188 -9.683 4.635 132 H LYS 19 H LYS 19 3.518 -6.088 5.366 133 HA LYS 19 HA LYS 19 1.504 -4.711 7.074 134 HB2 LYS 19 HB2 LYS 19 4.405 -4.302 7.129 135 HB3 LYS 19 HB3 LYS 19 3.651 -2.885 6.478 136 HG2 LYS 19 HG2 LYS 19 2.759 -4.165 9.111 137 HG3 LYS 19 HG3 LYS 19 3.956 -2.869 9.007 138 HD2 LYS 19 HD2 LYS 19 2.305 -1.392 7.910 139 HD3 LYS 19 HD3 LYS 19 1.051 -2.632 8.048 140 HE2 LYS 19 HE2 LYS 19 2.581 -1.700 10.490 141 HE3 LYS 19 HE3 LYS 19 1.245 -0.722 9.852 142 HZ1 LYS 19 HZ1 LYS 19 0.849 -3.572 10.553 143 HZ2 LYS 19 HZ2 LYS 19 -0.285 -2.395 10.311 144 HZ3 LYS 19 HZ3 LYS 19 0.674 -2.359 11.622 145 H LEU 20 H LEU 20 0.673 -2.727 6.079 146 HA LEU 20 HA LEU 20 1.099 -2.706 3.143 147 HB2 LEU 20 HB2 LEU 20 -1.155 -3.440 4.048 148 HB3 LEU 20 HB3 LEU 20 -1.373 -1.850 4.667 149 HG LEU 20 HG LEU 20 -1.305 -0.844 2.467 150 HD11 LEU 20 HD11 LEU 20 -1.261 -2.207 0.424 151 HD12 LEU 20 HD12 LEU 20 -0.792 -3.633 1.365 152 HD13 LEU 20 HD13 LEU 20 0.283 -2.209 1.238 153 HD21 LEU 20 HD21 LEU 20 -3.361 -1.795 1.559 154 HD22 LEU 20 HD22 LEU 20 -3.443 -1.857 3.335 155 HD23 LEU 20 HD23 LEU 20 -3.088 -3.322 2.407 156 H ILE 21 H ILE 21 2.089 -0.940 2.406 157 HA ILE 21 HA ILE 21 1.821 1.592 3.955 158 HB ILE 21 HB ILE 21 4.227 0.338 2.584 159 HG12 ILE 21 HG12 ILE 21 5.445 1.077 4.541 160 HG13 ILE 21 HG13 ILE 21 4.083 2.006 5.146 161 HG21 ILE 21 HG21 ILE 21 5.272 2.668 2.780 162 HG22 ILE 21 HG22 ILE 21 4.033 2.511 1.521 163 HG23 ILE 21 HG23 ILE 21 3.629 3.277 3.067 164 HD11 ILE 21 HD11 ILE 21 3.941 -1.011 4.887 165 HD12 ILE 21 HD12 ILE 21 4.606 -0.197 6.322 166 HD13 ILE 21 HD13 ILE 21 2.931 0.093 5.864 167 H ASP 22 H ASP 22 1.235 3.365 2.615 168 HA ASP 22 HA ASP 22 0.632 2.668 -0.178 169 HB2 ASP 22 HB2 ASP 22 -1.370 3.597 -0.051 170 HB3 ASP 22 HB3 ASP 22 -1.362 2.640 1.405 171 H ILE 23 H ILE 23 1.374 4.050 -1.563 172 HA ILE 23 HA ILE 23 2.930 6.334 -0.541 173 HB ILE 23 HB ILE 23 4.253 6.121 -2.546 174 HG12 ILE 23 HG12 ILE 23 2.311 3.891 -3.313 175 HG13 ILE 23 HG13 ILE 23 2.678 5.375 -4.200 176 HG21 ILE 23 HG21 ILE 23 3.906 3.377 -1.212 177 HG22 ILE 23 HG22 ILE 23 5.370 4.062 -1.933 178 HG23 ILE 23 HG23 ILE 23 4.707 4.769 -0.459 179 HD11 ILE 23 HD11 ILE 23 5.074 4.503 -4.432 180 HD12 ILE 23 HD12 ILE 23 4.463 2.944 -3.788 181 HD13 ILE 23 HD13 ILE 23 3.832 3.587 -5.306 182 H ARG 24 H ARG 24 -0.030 6.279 -0.996 183 HA ARG 24 HA ARG 24 -0.467 8.136 -3.221 184 HB2 ARG 24 HB2 ARG 24 -2.313 7.498 -0.879 185 HB3 ARG 24 HB3 ARG 24 -2.761 8.208 -2.431 186 HG2 ARG 24 HG2 ARG 24 -2.441 6.199 -3.607 187 HG3 ARG 24 HG3 ARG 24 -1.660 5.394 -2.241 188 HD2 ARG 24 HD2 ARG 24 -4.533 6.385 -2.147 189 HD3 ARG 24 HD3 ARG 24 -4.074 4.761 -2.684 190 HE ARG 24 HE ARG 24 -3.086 5.691 -0.039 191 HH11 ARG 24 HH11 ARG 24 -5.296 3.579 -1.759 192 HH12 ARG 24 HH12 ARG 24 -5.331 2.337 -0.555 193 HH21 ARG 24 HH21 ARG 24 -3.475 4.322 1.760 194 HH22 ARG 24 HH22 ARG 24 -4.387 2.882 1.612 195 H ASP 25 H ASP 25 -1.598 10.238 -2.588 196 HA ASP 25 HA ASP 25 0.218 11.781 -0.909 197 HB2 ASP 25 HB2 ASP 25 -2.468 12.508 -2.182 198 HB3 ASP 25 HB3 ASP 25 -1.401 13.650 -1.355 199 H ALA 26 H ALA 26 -0.306 12.715 1.238 200 HA ALA 26 HA ALA 26 -1.754 11.012 2.926 201 HB1 ALA 26 HB1 ALA 26 -0.033 12.578 3.736 202 HB2 ALA 26 HB2 ALA 26 -1.097 13.953 3.386 203 HB3 ALA 26 HB3 ALA 26 -1.551 12.787 4.627 204 H ASP 27 H ASP 27 -2.830 13.782 1.102 205 HA ASP 27 HA ASP 27 -5.387 14.294 2.198 206 HB2 ASP 27 HB2 ASP 27 -4.227 15.763 0.635 207 HB3 ASP 27 HB3 ASP 27 -4.273 14.533 -0.629 208 H GLU 28 H GLU 28 -4.282 11.753 -0.073 209 HA GLU 28 HA GLU 28 -6.918 10.926 -0.918 210 HB2 GLU 28 HB2 GLU 28 -4.198 9.551 -1.003 211 HB3 GLU 28 HB3 GLU 28 -5.640 8.839 -1.657 212 HG2 GLU 28 HG2 GLU 28 -4.617 11.578 -2.538 213 HG3 GLU 28 HG3 GLU 28 -4.157 10.067 -3.307 214 H TYR 29 H TYR 29 -4.610 9.830 1.585 215 HA TYR 29 HA TYR 29 -6.181 7.569 2.461 216 HB2 TYR 29 HB2 TYR 29 -3.759 7.889 2.894 217 HB3 TYR 29 HB3 TYR 29 -4.114 9.214 3.974 218 HD1 TYR 29 HD1 TYR 29 -5.370 8.679 6.227 219 HD2 TYR 29 HD2 TYR 29 -3.850 5.671 3.567 220 HE1 TYR 29 HE1 TYR 29 -5.390 7.029 8.080 221 HE2 TYR 29 HE2 TYR 29 -3.741 4.048 5.416 222 HH TYR 29 HH TYR 29 -3.999 3.729 7.659 223 H LEU 30 H LEU 30 -6.090 10.988 3.305 224 HA LEU 30 HA LEU 30 -7.545 10.999 5.673 225 HB2 LEU 30 HB2 LEU 30 -6.294 12.859 4.261 226 HB3 LEU 30 HB3 LEU 30 -7.878 13.154 3.578 227 HG LEU 30 HG LEU 30 -8.772 13.466 5.946 228 HD11 LEU 30 HD11 LEU 30 -7.039 12.331 7.283 229 HD12 LEU 30 HD12 LEU 30 -7.076 14.036 7.707 230 HD13 LEU 30 HD13 LEU 30 -5.800 13.416 6.637 231 HD21 LEU 30 HD21 LEU 30 -6.525 15.260 4.961 232 HD22 LEU 30 HD22 LEU 30 -7.778 15.737 6.132 233 HD23 LEU 30 HD23 LEU 30 -8.212 15.341 4.454 234 H ARG 31 H ARG 31 -8.735 10.885 2.393 235 HA ARG 31 HA ARG 31 -11.506 11.500 2.954 236 HB2 ARG 31 HB2 ARG 31 -10.189 10.058 0.614 237 HB3 ARG 31 HB3 ARG 31 -11.932 10.310 0.749 238 HG2 ARG 31 HG2 ARG 31 -11.478 12.787 1.038 239 HG3 ARG 31 HG3 ARG 31 -9.788 12.470 0.628 240 HD2 ARG 31 HD2 ARG 31 -10.485 11.483 -1.522 241 HD3 ARG 31 HD3 ARG 31 -12.196 11.681 -1.071 242 HE ARG 31 HE ARG 31 -11.022 14.222 -0.897 243 HH11 ARG 31 HH11 ARG 31 -11.531 11.812 -3.455 244 HH12 ARG 31 HH12 ARG 31 -11.574 13.006 -4.731 245 HH21 ARG 31 HH21 ARG 31 -11.074 15.750 -2.588 246 HH22 ARG 31 HH22 ARG 31 -11.442 15.270 -4.211 247 H GLU 32 H GLU 32 -10.278 8.307 1.886 248 HA GLU 32 HA GLU 32 -11.302 6.799 4.034 249 HB2 GLU 32 HB2 GLU 32 -13.006 5.519 2.763 250 HB3 GLU 32 HB3 GLU 32 -13.519 7.129 3.223 251 HG2 GLU 32 HG2 GLU 32 -12.930 7.793 0.763 252 HG3 GLU 32 HG3 GLU 32 -12.903 6.053 0.456 253 H HIS 33 H HIS 33 -9.935 5.016 3.994 254 HA HIS 33 HA HIS 33 -9.310 3.803 1.464 255 HB2 HIS 33 HB2 HIS 33 -7.401 5.684 2.710 256 HB3 HIS 33 HB3 HIS 33 -6.685 4.140 2.314 257 HD1 HIS 33 HD1 HIS 33 -7.209 7.317 0.600 258 HD2 HIS 33 HD2 HIS 33 -7.842 3.278 -0.358 259 HE1 HIS 33 HE1 HIS 33 -7.074 7.152 -1.921 260 H ILE 34 H ILE 34 -7.064 2.297 2.453 261 HA ILE 34 HA ILE 34 -8.607 0.202 3.683 262 HB ILE 34 HB ILE 34 -5.645 0.323 2.984 263 HG12 ILE 34 HG12 ILE 34 -8.016 -0.783 1.404 264 HG13 ILE 34 HG13 ILE 34 -7.163 0.704 1.013 265 HG21 ILE 34 HG21 ILE 34 -7.460 -2.079 3.506 266 HG22 ILE 34 HG22 ILE 34 -5.745 -2.159 3.090 267 HG23 ILE 34 HG23 ILE 34 -6.224 -1.489 4.616 268 HD11 ILE 34 HD11 ILE 34 -5.839 -2.016 0.993 269 HD12 ILE 34 HD12 ILE 34 -6.474 -1.175 -0.401 270 HD13 ILE 34 HD13 ILE 34 -5.126 -0.456 0.520 271 HA PRO 35 HA PRO 35 -7.355 1.267 7.900 272 HB2 PRO 35 HB2 PRO 35 -8.124 -1.049 9.170 273 HB3 PRO 35 HB3 PRO 35 -9.305 0.163 8.575 274 HG2 PRO 35 HG2 PRO 35 -8.392 -2.412 7.249 275 HG3 PRO 35 HG3 PRO 35 -10.072 -1.801 7.445 276 HD2 PRO 35 HD2 PRO 35 -8.634 -1.524 5.170 277 HD3 PRO 35 HD3 PRO 35 -9.740 -0.250 5.683 278 H GLU 36 H GLU 36 -6.414 -1.748 6.381 279 HA GLU 36 HA GLU 36 -4.436 -2.584 8.209 280 HB2 GLU 36 HB2 GLU 36 -4.637 -3.265 5.282 281 HB3 GLU 36 HB3 GLU 36 -3.675 -4.087 6.485 282 HG2 GLU 36 HG2 GLU 36 -6.660 -3.798 6.672 283 HG3 GLU 36 HG3 GLU 36 -5.862 -5.202 5.963 284 H ALA 37 H ALA 37 -4.406 0.066 5.978 285 HA ALA 37 HA ALA 37 -1.481 -0.045 5.728 286 HB1 ALA 37 HB1 ALA 37 -2.871 0.321 3.615 287 HB2 ALA 37 HB2 ALA 37 -3.287 1.909 4.286 288 HB3 ALA 37 HB3 ALA 37 -1.584 1.496 3.950 289 H ASP 38 H ASP 38 -0.187 1.582 6.254 290 HA ASP 38 HA ASP 38 -1.285 3.257 8.482 291 HB2 ASP 38 HB2 ASP 38 0.886 2.083 8.746 292 HB3 ASP 38 HB3 ASP 38 1.592 3.210 7.587 293 H LEU 39 H LEU 39 0.759 3.910 5.674 294 HA LEU 39 HA LEU 39 0.012 5.389 3.804 295 HB2 LEU 39 HB2 LEU 39 -1.613 6.739 5.057 296 HB3 LEU 39 HB3 LEU 39 -0.364 7.136 6.256 297 HG LEU 39 HG LEU 39 0.797 8.555 4.690 298 HD11 LEU 39 HD11 LEU 39 -1.588 8.099 2.830 299 HD12 LEU 39 HD12 LEU 39 0.047 7.537 2.512 300 HD13 LEU 39 HD13 LEU 39 -0.284 9.265 2.568 301 HD21 LEU 39 HD21 LEU 39 -0.756 10.388 4.819 302 HD22 LEU 39 HD22 LEU 39 -0.851 9.413 6.283 303 HD23 LEU 39 HD23 LEU 39 -2.120 9.257 5.052 304 H ALA 40 H ALA 40 1.791 6.467 2.853 305 HA ALA 40 HA ALA 40 3.946 7.693 4.307 306 HB1 ALA 40 HB1 ALA 40 5.705 6.171 3.878 307 HB2 ALA 40 HB2 ALA 40 4.431 5.189 4.625 308 HB3 ALA 40 HB3 ALA 40 4.688 5.130 2.872 309 HA PRO 41 HA PRO 41 2.897 8.900 -0.066 310 HB2 PRO 41 HB2 PRO 41 3.516 11.635 0.289 311 HB3 PRO 41 HB3 PRO 41 1.904 10.904 0.392 312 HG2 PRO 41 HG2 PRO 41 3.740 11.688 2.586 313 HG3 PRO 41 HG3 PRO 41 1.957 11.659 2.578 314 HD2 PRO 41 HD2 PRO 41 3.529 9.775 3.830 315 HD3 PRO 41 HD3 PRO 41 1.910 9.421 3.176 316 H LEU 42 H LEU 42 4.244 9.220 -1.778 317 HA LEU 42 HA LEU 42 6.954 8.578 -1.620 318 HB2 LEU 42 HB2 LEU 42 5.265 8.832 -3.658 319 HB3 LEU 42 HB3 LEU 42 5.993 10.378 -3.825 320 HG LEU 42 HG LEU 42 7.550 9.490 -5.064 321 HD11 LEU 42 HD11 LEU 42 8.576 7.730 -2.804 322 HD12 LEU 42 HD12 LEU 42 9.002 9.425 -3.036 323 HD13 LEU 42 HD13 LEU 42 9.437 8.244 -4.261 324 HD21 LEU 42 HD21 LEU 42 6.019 7.733 -5.552 325 HD22 LEU 42 HD22 LEU 42 6.478 6.854 -4.077 326 HD23 LEU 42 HD23 LEU 42 7.643 7.004 -5.440 327 H SER 43 H SER 43 5.257 11.705 -1.812 328 HA SER 43 HA SER 43 7.312 13.507 -2.003 329 HB2 SER 43 HB2 SER 43 4.750 13.832 -0.404 330 HB3 SER 43 HB3 SER 43 5.744 15.140 -1.071 331 HG SER 43 HG SER 43 5.277 14.398 -3.158 332 H VAL 44 H VAL 44 6.297 11.738 0.966 333 HA VAL 44 HA VAL 44 8.026 13.436 2.682 334 HB VAL 44 HB VAL 44 5.987 11.227 3.094 335 HG11 VAL 44 HG11 VAL 44 7.660 10.683 4.759 336 HG12 VAL 44 HG12 VAL 44 7.773 12.388 5.255 337 HG13 VAL 44 HG13 VAL 44 6.288 11.458 5.543 338 HG21 VAL 44 HG21 VAL 44 4.802 12.953 4.317 339 HG22 VAL 44 HG22 VAL 44 6.160 14.085 4.154 340 HG23 VAL 44 HG23 VAL 44 5.222 13.595 2.727 341 H LEU 45 H LEU 45 7.780 10.170 1.367 342 HA LEU 45 HA LEU 45 9.935 8.970 2.754 343 HB2 LEU 45 HB2 LEU 45 8.507 8.520 0.122 344 HB3 LEU 45 HB3 LEU 45 9.850 7.509 0.584 345 HG LEU 45 HG LEU 45 7.378 8.022 2.362 346 HD11 LEU 45 HD11 LEU 45 6.641 5.782 1.626 347 HD12 LEU 45 HD12 LEU 45 7.999 5.772 0.454 348 HD13 LEU 45 HD13 LEU 45 6.696 7.024 0.379 349 HD21 LEU 45 HD21 LEU 45 8.112 5.850 3.452 350 HD22 LEU 45 HD22 LEU 45 9.090 7.265 3.774 351 HD23 LEU 45 HD23 LEU 45 9.674 6.050 2.605 352 H GLU 46 H GLU 46 9.873 10.479 -0.496 353 HA GLU 46 HA GLU 46 12.547 10.124 -1.130 354 HB2 GLU 46 HB2 GLU 46 10.455 12.121 -1.856 355 HB3 GLU 46 HB3 GLU 46 12.114 12.498 -2.333 356 HG2 GLU 46 HG2 GLU 46 11.157 9.700 -2.854 357 HG3 GLU 46 HG3 GLU 46 10.463 10.984 -3.832 358 H GLN 47 H GLN 47 11.145 12.406 1.182 359 HA GLN 47 HA GLN 47 13.563 14.046 1.476 360 HB2 GLN 47 HB2 GLN 47 10.815 14.082 2.771 361 HB3 GLN 47 HB3 GLN 47 12.131 15.104 3.318 362 HG2 GLN 47 HG2 GLN 47 12.238 16.210 1.138 363 HG3 GLN 47 HG3 GLN 47 10.967 15.149 0.511 364 HE21 GLN 47 HE21 GLN 47 8.755 15.557 1.142 365 HE22 GLN 47 HE22 GLN 47 8.287 16.915 2.137 366 H SER 48 H SER 48 11.557 12.106 3.784 367 HA SER 48 HA SER 48 13.856 11.956 5.656 368 HB2 SER 48 HB2 SER 48 11.336 12.708 6.029 369 HB3 SER 48 HB3 SER 48 11.059 10.976 6.223 370 HG SER 48 HG SER 48 12.613 11.027 7.936 371 H GLY 49 H GLY 49 11.828 9.747 3.747 372 HA2 GLY 49 HA2 GLY 49 12.399 7.536 3.188 373 HA3 GLY 49 HA3 GLY 49 13.514 7.447 4.554 374 H LEU 50 H LEU 50 11.963 5.339 4.326 375 HA LEU 50 HA LEU 50 9.348 5.463 5.471 376 HB2 LEU 50 HB2 LEU 50 10.160 3.700 3.923 377 HB3 LEU 50 HB3 LEU 50 11.325 3.190 5.148 378 HG LEU 50 HG LEU 50 9.289 2.755 6.681 379 HD11 LEU 50 HD11 LEU 50 7.763 2.617 4.054 380 HD12 LEU 50 HD12 LEU 50 7.587 3.973 5.177 381 HD13 LEU 50 HD13 LEU 50 7.170 2.328 5.692 382 HD21 LEU 50 HD21 LEU 50 9.709 1.208 4.088 383 HD22 LEU 50 HD22 LEU 50 8.964 0.545 5.520 384 HD23 LEU 50 HD23 LEU 50 10.670 1.011 5.583 385 HA PRO 51 HA PRO 51 10.782 5.792 9.679 386 HB2 PRO 51 HB2 PRO 51 8.455 5.385 11.080 387 HB3 PRO 51 HB3 PRO 51 8.799 6.851 10.143 388 HG2 PRO 51 HG2 PRO 51 7.105 4.519 9.385 389 HG3 PRO 51 HG3 PRO 51 6.813 6.255 9.071 390 HD2 PRO 51 HD2 PRO 51 7.897 4.425 7.245 391 HD3 PRO 51 HD3 PRO 51 8.128 6.182 7.123 392 H ALA 52 H ALA 52 11.235 4.660 11.519 393 HA ALA 52 HA ALA 52 11.850 1.988 11.320 394 HB1 ALA 52 HB1 ALA 52 12.856 3.599 12.881 395 HB2 ALA 52 HB2 ALA 52 11.352 3.619 13.839 396 HB3 ALA 52 HB3 ALA 52 12.313 2.133 13.730 397 H LYS 53 H LYS 53 8.707 3.250 12.051 398 HA LYS 53 HA LYS 53 7.805 0.758 13.407 399 HB2 LYS 53 HB2 LYS 53 6.116 3.210 12.768 400 HB3 LYS 53 HB3 LYS 53 5.800 1.934 13.946 401 HG2 LYS 53 HG2 LYS 53 7.987 3.992 14.057 402 HG3 LYS 53 HG3 LYS 53 6.524 3.976 15.057 403 HD2 LYS 53 HD2 LYS 53 8.720 1.853 15.132 404 HD3 LYS 53 HD3 LYS 53 8.521 3.140 16.304 405 HE2 LYS 53 HE2 LYS 53 6.314 2.262 16.958 406 HE3 LYS 53 HE3 LYS 53 6.471 0.962 15.757 407 HZ1 LYS 53 HZ1 LYS 53 7.161 0.156 17.905 408 HZ2 LYS 53 HZ2 LYS 53 8.264 1.396 18.055 409 HZ3 LYS 53 HZ3 LYS 53 8.442 0.218 16.910 410 H LEU 54 H LEU 54 7.908 2.109 10.283 411 HA LEU 54 HA LEU 54 5.811 0.154 9.348 412 HB2 LEU 54 HB2 LEU 54 6.708 2.750 8.074 413 HB3 LEU 54 HB3 LEU 54 5.539 1.642 7.395 414 HG LEU 54 HG LEU 54 5.172 3.150 10.004 415 HD11 LEU 54 HD11 LEU 54 3.850 3.464 7.267 416 HD12 LEU 54 HD12 LEU 54 5.115 4.506 7.923 417 HD13 LEU 54 HD13 LEU 54 3.560 4.453 8.721 418 HD21 LEU 54 HD21 LEU 54 4.016 0.949 10.086 419 HD22 LEU 54 HD22 LEU 54 3.258 1.286 8.514 420 HD23 LEU 54 HD23 LEU 54 2.886 2.257 9.959 421 H ARG 55 H ARG 55 8.769 -0.142 9.779 422 HA ARG 55 HA ARG 55 9.571 -1.060 7.051 423 HB2 ARG 55 HB2 ARG 55 11.831 -0.877 7.809 424 HB3 ARG 55 HB3 ARG 55 11.010 0.660 8.119 425 HG2 ARG 55 HG2 ARG 55 10.980 0.423 10.367 426 HG3 ARG 55 HG3 ARG 55 11.024 -1.325 10.401 427 HD2 ARG 55 HD2 ARG 55 13.304 -1.207 9.356 428 HD3 ARG 55 HD3 ARG 55 13.288 0.531 9.665 429 HE ARG 55 HE ARG 55 13.792 0.095 11.882 430 HH11 ARG 55 HH11 ARG 55 12.648 -2.944 10.352 431 HH12 ARG 55 HH12 ARG 55 13.313 -3.946 11.594 432 HH21 ARG 55 HH21 ARG 55 14.540 -1.252 13.553 433 HH22 ARG 55 HH22 ARG 55 14.219 -2.958 13.540 434 H HIS 56 H HIS 56 7.761 -2.640 8.417 435 HA HIS 56 HA HIS 56 8.936 -4.740 9.957 436 HB2 HIS 56 HB2 HIS 56 6.419 -4.234 9.705 437 HB3 HIS 56 HB3 HIS 56 6.508 -5.032 8.131 438 HD1 HIS 56 HD1 HIS 56 7.063 -5.831 11.869 439 HD2 HIS 56 HD2 HIS 56 6.433 -7.697 8.145 440 HE1 HIS 56 HE1 HIS 56 7.026 -8.363 12.306 441 H GLU 57 H GLU 57 9.247 -6.902 9.257 442 HA GLU 57 HA GLU 57 11.179 -7.542 7.556 443 HB2 GLU 57 HB2 GLU 57 8.690 -9.214 8.085 444 HB3 GLU 57 HB3 GLU 57 10.263 -9.831 7.604 445 HG2 GLU 57 HG2 GLU 57 10.006 -8.242 10.191 446 HG3 GLU 57 HG3 GLU 57 9.454 -9.901 10.130 447 H GLN 58 H GLN 58 7.707 -7.487 6.559 448 HA GLN 58 HA GLN 58 8.516 -7.384 3.750 449 HB2 GLN 58 HB2 GLN 58 6.414 -9.364 4.734 450 HB3 GLN 58 HB3 GLN 58 6.895 -9.035 3.068 451 HG2 GLN 58 HG2 GLN 58 9.291 -9.760 3.884 452 HG3 GLN 58 HG3 GLN 58 8.431 -10.476 5.234 453 HE21 GLN 58 HE21 GLN 58 10.019 -11.661 2.889 454 HE22 GLN 58 HE22 GLN 58 8.869 -12.705 2.061 455 H ILE 59 H ILE 59 7.256 -5.956 2.645 456 HA ILE 59 HA ILE 59 4.711 -5.171 3.874 457 HB ILE 59 HB ILE 59 5.156 -2.959 4.019 458 HG12 ILE 59 HG12 ILE 59 7.572 -3.236 2.203 459 HG13 ILE 59 HG13 ILE 59 6.024 -2.490 1.804 460 HG21 ILE 59 HG21 ILE 59 6.467 -4.202 5.738 461 HG22 ILE 59 HG22 ILE 59 7.911 -4.031 4.720 462 HG23 ILE 59 HG23 ILE 59 7.134 -2.603 5.390 463 HD11 ILE 59 HD11 ILE 59 7.447 -0.673 2.253 464 HD12 ILE 59 HD12 ILE 59 6.410 -0.853 3.694 465 HD13 ILE 59 HD13 ILE 59 8.094 -1.420 3.727 466 H ILE 60 H ILE 60 3.449 -3.809 2.356 467 HA ILE 60 HA ILE 60 3.946 -4.528 -0.515 468 HB ILE 60 HB ILE 60 1.336 -4.629 1.036 469 HG12 ILE 60 HG12 ILE 60 2.033 -7.166 -0.245 470 HG13 ILE 60 HG13 ILE 60 3.355 -6.678 0.766 471 HG21 ILE 60 HG21 ILE 60 1.815 -5.387 -1.872 472 HG22 ILE 60 HG22 ILE 60 0.322 -5.623 -0.955 473 HG23 ILE 60 HG23 ILE 60 0.898 -3.981 -1.284 474 HD11 ILE 60 HD11 ILE 60 1.733 -6.342 2.669 475 HD12 ILE 60 HD12 ILE 60 0.463 -7.010 1.610 476 HD13 ILE 60 HD13 ILE 60 1.872 -7.999 2.071 477 H PHE 61 H PHE 61 3.083 -2.938 -2.018 478 HA PHE 61 HA PHE 61 2.583 -0.239 -0.864 479 HB2 PHE 61 HB2 PHE 61 4.167 -0.998 -3.351 480 HB3 PHE 61 HB3 PHE 61 3.603 0.582 -3.043 481 HD1 PHE 61 HD1 PHE 61 4.136 0.876 -0.061 482 HD2 PHE 61 HD2 PHE 61 6.552 -0.692 -3.275 483 HE1 PHE 61 HE1 PHE 61 6.206 1.454 1.167 484 HE2 PHE 61 HE2 PHE 61 8.603 -0.140 -1.986 485 HZ PHE 61 HZ PHE 61 8.388 1.007 0.215 486 H HIS 62 H HIS 62 0.843 0.872 -1.699 487 HA HIS 62 HA HIS 62 -0.667 -0.200 -4.002 488 HB2 HIS 62 HB2 HIS 62 -1.836 0.464 -1.258 489 HB3 HIS 62 HB3 HIS 62 -2.790 0.388 -2.734 490 HD1 HIS 62 HD1 HIS 62 -0.330 -2.427 -2.533 491 HD2 HIS 62 HD2 HIS 62 -4.297 -1.574 -1.368 492 HE1 HIS 62 HE1 HIS 62 -1.434 -4.643 -1.844 493 H CYS 63 H CYS 63 -1.677 1.422 -5.150 494 HA CYS 63 HA CYS 63 -1.289 4.293 -4.382 495 HB2 CYS 63 HB2 CYS 63 -1.083 2.948 -7.119 496 HB3 CYS 63 HB3 CYS 63 -1.048 4.711 -6.818 497 HG CYS 63 HG CYS 63 1.065 4.839 -5.511 498 H GLN 64 H GLN 64 -2.949 5.690 -5.720 499 HA GLN 64 HA GLN 64 -5.614 4.767 -5.307 500 HB2 GLN 64 HB2 GLN 64 -4.936 7.133 -5.291 501 HB3 GLN 64 HB3 GLN 64 -4.533 7.047 -7.009 502 HG2 GLN 64 HG2 GLN 64 -6.917 6.575 -7.546 503 HG3 GLN 64 HG3 GLN 64 -7.300 6.627 -5.818 504 HE21 GLN 64 HE21 GLN 64 -8.163 8.554 -5.259 505 HE22 GLN 64 HE22 GLN 64 -7.388 10.050 -5.601 506 H ALA 65 H ALA 65 -3.697 5.158 -8.337 507 HA ALA 65 HA ALA 65 -5.024 2.869 -9.570 508 HB1 ALA 65 HB1 ALA 65 -5.359 5.626 -10.792 509 HB2 ALA 65 HB2 ALA 65 -5.789 4.073 -11.544 510 HB3 ALA 65 HB3 ALA 65 -6.642 4.593 -10.087 511 H GLY 66 H GLY 66 -2.415 3.747 -8.578 512 HA2 GLY 66 HA2 GLY 66 -0.591 4.344 -10.705 513 HA3 GLY 66 HA3 GLY 66 -0.190 3.819 -9.075 514 H LYS 67 H LYS 67 -1.802 2.422 -11.923 515 HA LYS 67 HA LYS 67 -1.098 -0.293 -11.503 516 HB2 LYS 67 HB2 LYS 67 -1.908 1.383 -13.914 517 HB3 LYS 67 HB3 LYS 67 -1.577 -0.328 -14.098 518 HG2 LYS 67 HG2 LYS 67 -3.574 0.692 -12.033 519 HG3 LYS 67 HG3 LYS 67 -4.028 0.416 -13.698 520 HD2 LYS 67 HD2 LYS 67 -2.916 -1.699 -11.817 521 HD3 LYS 67 HD3 LYS 67 -4.603 -1.472 -12.286 522 HE2 LYS 67 HE2 LYS 67 -3.937 -1.868 -14.699 523 HE3 LYS 67 HE3 LYS 67 -2.323 -2.291 -14.129 524 HZ1 LYS 67 HZ1 LYS 67 -4.823 -3.733 -13.461 525 HZ2 LYS 67 HZ2 LYS 67 -3.341 -4.038 -12.802 526 HZ3 LYS 67 HZ3 LYS 67 -3.561 -4.270 -14.389 527 H ARG 68 H ARG 68 1.046 2.233 -12.285 528 HA ARG 68 HA ARG 68 2.973 0.331 -13.530 529 HB2 ARG 68 HB2 ARG 68 1.974 2.358 -14.841 530 HB3 ARG 68 HB3 ARG 68 3.091 3.314 -13.885 531 HG2 ARG 68 HG2 ARG 68 4.258 2.923 -15.848 532 HG3 ARG 68 HG3 ARG 68 4.938 1.676 -14.806 533 HD2 ARG 68 HD2 ARG 68 2.623 1.192 -16.744 534 HD3 ARG 68 HD3 ARG 68 4.299 1.050 -17.234 535 HE ARG 68 HE ARG 68 2.737 -0.785 -15.613 536 HH11 ARG 68 HH11 ARG 68 5.945 0.029 -16.856 537 HH12 ARG 68 HH12 ARG 68 6.608 -1.547 -16.575 538 HH21 ARG 68 HH21 ARG 68 3.746 -2.755 -14.842 539 HH22 ARG 68 HH22 ARG 68 5.340 -3.134 -15.395 540 H THR 69 H THR 69 2.616 0.513 -10.672 541 HA THR 69 HA THR 69 4.306 2.037 -9.124 542 HB THR 69 HB THR 69 4.560 -0.429 -8.063 543 HG1 THR 69 HG1 THR 69 3.561 -1.552 -9.813 544 HG21 THR 69 HG21 THR 69 1.864 0.954 -8.044 545 HG22 THR 69 HG22 THR 69 3.269 1.538 -7.150 546 HG23 THR 69 HG23 THR 69 2.600 -0.066 -6.792 547 H SER 70 H SER 70 5.422 -0.450 -11.469 548 HA SER 70 HA SER 70 7.971 -0.912 -10.449 549 HB2 SER 70 HB2 SER 70 8.446 -1.649 -12.728 550 HB3 SER 70 HB3 SER 70 6.930 -2.288 -12.074 551 HG SER 70 HG SER 70 7.397 -0.505 -14.117 552 H ASN 71 H ASN 71 6.667 1.850 -12.064 553 HA ASN 71 HA ASN 71 8.772 3.093 -13.353 554 HB2 ASN 71 HB2 ASN 71 6.501 4.277 -11.724 555 HB3 ASN 71 HB3 ASN 71 7.710 5.295 -12.511 556 HD21 ASN 71 HD21 ASN 71 5.018 5.553 -13.143 557 HD22 ASN 71 HD22 ASN 71 4.913 5.245 -14.851 558 H ASN 72 H ASN 72 7.985 3.497 -9.883 559 HA ASN 72 HA ASN 72 10.700 4.679 -9.445 560 HB2 ASN 72 HB2 ASN 72 8.089 4.992 -7.929 561 HB3 ASN 72 HB3 ASN 72 9.639 5.382 -7.206 562 HD21 ASN 72 HD21 ASN 72 9.978 7.657 -7.176 563 HD22 ASN 72 HD22 ASN 72 9.381 8.670 -8.417 564 H ALA 73 H ALA 73 9.146 1.696 -9.184 565 HA ALA 73 HA ALA 73 9.557 0.602 -6.801 566 HB1 ALA 73 HB1 ALA 73 9.995 -0.692 -9.466 567 HB2 ALA 73 HB2 ALA 73 9.768 -1.500 -7.912 568 HB3 ALA 73 HB3 ALA 73 8.461 -0.521 -8.522 569 H ASP 74 H ASP 74 12.073 1.147 -9.254 570 HA ASP 74 HA ASP 74 14.168 -0.329 -8.282 571 HB2 ASP 74 HB2 ASP 74 13.886 1.373 -10.300 572 HB3 ASP 74 HB3 ASP 74 14.635 2.522 -9.200 573 H LYS 75 H LYS 75 13.314 2.959 -7.240 574 HA LYS 75 HA LYS 75 15.254 2.878 -5.013 575 HB2 LYS 75 HB2 LYS 75 13.355 5.184 -5.327 576 HB3 LYS 75 HB3 LYS 75 14.986 5.133 -4.700 577 HG2 LYS 75 HG2 LYS 75 15.367 6.208 -6.702 578 HG3 LYS 75 HG3 LYS 75 15.635 4.555 -7.218 579 HD2 LYS 75 HD2 LYS 75 14.163 5.383 -8.878 580 HD3 LYS 75 HD3 LYS 75 13.048 4.572 -7.758 581 HE2 LYS 75 HE2 LYS 75 11.919 6.460 -7.454 582 HE3 LYS 75 HE3 LYS 75 13.367 7.196 -6.728 583 HZ1 LYS 75 HZ1 LYS 75 12.513 8.470 -8.613 584 HZ2 LYS 75 HZ2 LYS 75 12.740 7.197 -9.616 585 HZ3 LYS 75 HZ3 LYS 75 14.036 7.937 -8.882 586 H LEU 76 H LEU 76 11.780 2.791 -5.609 587 HA LEU 76 HA LEU 76 10.861 3.132 -2.917 588 HB2 LEU 76 HB2 LEU 76 9.729 1.257 -5.003 589 HB3 LEU 76 HB3 LEU 76 8.945 1.568 -3.492 590 HG LEU 76 HG LEU 76 9.476 3.819 -5.458 591 HD11 LEU 76 HD11 LEU 76 7.886 2.132 -6.508 592 HD12 LEU 76 HD12 LEU 76 7.082 3.638 -6.103 593 HD13 LEU 76 HD13 LEU 76 6.904 2.238 -5.044 594 HD21 LEU 76 HD21 LEU 76 7.691 3.481 -3.026 595 HD22 LEU 76 HD22 LEU 76 7.744 4.907 -4.091 596 HD23 LEU 76 HD23 LEU 76 9.167 4.482 -3.128 597 H ALA 77 H ALA 77 11.974 0.235 -4.606 598 HA ALA 77 HA ALA 77 11.676 -1.708 -2.530 599 HB1 ALA 77 HB1 ALA 77 13.313 -3.002 -3.811 600 HB2 ALA 77 HB2 ALA 77 12.121 -2.244 -4.871 601 HB3 ALA 77 HB3 ALA 77 13.753 -1.559 -4.753 602 H ALA 78 H ALA 78 14.183 0.769 -3.058 603 HA ALA 78 HA ALA 78 16.108 -0.417 -1.185 604 HB1 ALA 78 HB1 ALA 78 16.062 2.336 -2.515 605 HB2 ALA 78 HB2 ALA 78 17.403 1.594 -1.647 606 HB3 ALA 78 HB3 ALA 78 16.863 0.899 -3.188 607 H ILE 79 H ILE 79 13.863 2.367 -1.311 608 HA ILE 79 HA ILE 79 14.331 3.393 1.260 609 HB ILE 79 HB ILE 79 11.919 3.409 -0.582 610 HG12 ILE 79 HG12 ILE 79 13.614 5.749 0.344 611 HG13 ILE 79 HG13 ILE 79 14.108 4.735 -1.015 612 HG21 ILE 79 HG21 ILE 79 10.963 3.607 1.685 613 HG22 ILE 79 HG22 ILE 79 12.170 4.837 2.105 614 HG23 ILE 79 HG23 ILE 79 10.917 5.182 0.894 615 HD11 ILE 79 HD11 ILE 79 11.990 5.268 -2.201 616 HD12 ILE 79 HD12 ILE 79 11.536 6.364 -0.873 617 HD13 ILE 79 HD13 ILE 79 12.973 6.704 -1.838 618 H ALA 80 H ALA 80 12.214 0.685 0.261 619 HA ALA 80 HA ALA 80 11.235 0.299 2.979 620 HB1 ALA 80 HB1 ALA 80 11.047 -1.439 0.495 621 HB2 ALA 80 HB2 ALA 80 10.112 -1.653 1.994 622 HB3 ALA 80 HB3 ALA 80 9.871 -0.217 0.995 623 H ALA 81 H ALA 81 13.893 -1.075 1.046 624 HA ALA 81 HA ALA 81 14.308 -3.387 2.565 625 HB1 ALA 81 HB1 ALA 81 15.337 -3.029 0.379 626 HB2 ALA 81 HB2 ALA 81 16.316 -1.691 1.015 627 HB3 ALA 81 HB3 ALA 81 16.601 -3.343 1.558 628 HA PRO 82 HA PRO 82 16.319 -4.644 3.238 629 HB2 PRO 82 HB2 PRO 82 17.197 -5.876 5.473 630 HB3 PRO 82 HB3 PRO 82 18.233 -4.779 4.506 631 HG2 PRO 82 HG2 PRO 82 16.747 -4.145 7.057 632 HG3 PRO 82 HG3 PRO 82 18.427 -3.733 6.595 633 HD2 PRO 82 HD2 PRO 82 16.326 -1.970 6.326 634 HD3 PRO 82 HD3 PRO 82 17.763 -1.959 5.276 635 H ALA 83 H ALA 83 14.364 -5.527 2.829 636 HA ALA 83 HA ALA 83 12.831 -7.087 4.505 637 HB1 ALA 83 HB1 ALA 83 11.860 -4.202 4.211 638 HB2 ALA 83 HB2 ALA 83 10.711 -5.531 4.406 639 HB3 ALA 83 HB3 ALA 83 11.901 -5.206 5.664 640 H GLU 84 H GLU 84 10.615 -7.401 3.157 641 HA GLU 84 HA GLU 84 11.335 -7.433 0.258 642 HB2 GLU 84 HB2 GLU 84 9.505 -9.177 1.900 643 HB3 GLU 84 HB3 GLU 84 9.385 -9.093 0.172 644 HG2 GLU 84 HG2 GLU 84 10.744 -10.968 0.587 645 HG3 GLU 84 HG3 GLU 84 11.793 -9.712 -0.049 646 H ILE 85 H ILE 85 9.790 -6.792 -1.324 647 HA ILE 85 HA ILE 85 7.585 -5.114 -0.394 648 HB ILE 85 HB ILE 85 8.268 -3.784 -2.558 649 HG12 ILE 85 HG12 ILE 85 10.281 -5.276 -2.987 650 HG13 ILE 85 HG13 ILE 85 10.435 -3.534 -3.138 651 HG21 ILE 85 HG21 ILE 85 7.898 -2.788 -0.412 652 HG22 ILE 85 HG22 ILE 85 9.438 -3.403 0.206 653 HG23 ILE 85 HG23 ILE 85 9.418 -2.160 -1.070 654 HD11 ILE 85 HD11 ILE 85 11.381 -5.067 -0.689 655 HD12 ILE 85 HD12 ILE 85 12.379 -4.554 -2.069 656 HD13 ILE 85 HD13 ILE 85 11.613 -3.346 -1.028 657 H PHE 86 H PHE 86 5.789 -5.138 -1.701 658 HA PHE 86 HA PHE 86 5.723 -6.928 -4.057 659 HB2 PHE 86 HB2 PHE 86 3.787 -7.019 -1.724 660 HB3 PHE 86 HB3 PHE 86 3.593 -7.887 -3.240 661 HD1 PHE 86 HD1 PHE 86 5.416 -7.772 -0.040 662 HD2 PHE 86 HD2 PHE 86 5.042 -9.800 -3.814 663 HE1 PHE 86 HE1 PHE 86 6.953 -9.542 0.765 664 HE2 PHE 86 HE2 PHE 86 6.564 -11.593 -3.003 665 HZ PHE 86 HZ PHE 86 7.562 -11.436 -0.731 666 H LEU 87 H LEU 87 4.630 -5.964 -5.721 667 HA LEU 87 HA LEU 87 3.341 -3.323 -5.197 668 HB2 LEU 87 HB2 LEU 87 4.255 -4.624 -7.779 669 HB3 LEU 87 HB3 LEU 87 3.627 -2.996 -7.621 670 HG LEU 87 HG LEU 87 6.239 -3.994 -6.408 671 HD11 LEU 87 HD11 LEU 87 7.327 -2.785 -8.281 672 HD12 LEU 87 HD12 LEU 87 5.736 -2.421 -8.966 673 HD13 LEU 87 HD13 LEU 87 6.296 -4.102 -8.842 674 HD21 LEU 87 HD21 LEU 87 4.808 -1.640 -5.791 675 HD22 LEU 87 HD22 LEU 87 6.120 -1.115 -6.907 676 HD23 LEU 87 HD23 LEU 87 6.504 -2.003 -5.422 677 H LEU 88 H LEU 88 1.128 -3.225 -5.289 678 HA LEU 88 HA LEU 88 -0.406 -5.601 -6.047 679 HB2 LEU 88 HB2 LEU 88 -1.084 -4.156 -4.203 680 HB3 LEU 88 HB3 LEU 88 -1.239 -2.779 -5.288 681 HG LEU 88 HG LEU 88 -2.948 -4.398 -6.571 682 HD11 LEU 88 HD11 LEU 88 -4.175 -5.871 -5.191 683 HD12 LEU 88 HD12 LEU 88 -3.324 -5.393 -3.713 684 HD13 LEU 88 HD13 LEU 88 -2.489 -6.355 -4.972 685 HD21 LEU 88 HD21 LEU 88 -3.500 -2.235 -5.496 686 HD22 LEU 88 HD22 LEU 88 -3.710 -3.069 -3.954 687 HD23 LEU 88 HD23 LEU 88 -4.784 -3.469 -5.280 688 H GLU 89 H GLU 89 -0.019 -5.998 -8.268 689 HA GLU 89 HA GLU 89 0.084 -3.973 -10.218 690 HB2 GLU 89 HB2 GLU 89 0.345 -5.714 -11.724 691 HB3 GLU 89 HB3 GLU 89 1.254 -6.113 -10.292 692 HG2 GLU 89 HG2 GLU 89 -0.521 -7.699 -9.603 693 HG3 GLU 89 HG3 GLU 89 -1.444 -7.305 -11.065 694 H ASP 90 H ASP 90 -2.699 -5.533 -8.809 695 HA ASP 90 HA ASP 90 -4.426 -5.141 -11.131 696 HB2 ASP 90 HB2 ASP 90 -4.814 -6.972 -9.542 697 HB3 ASP 90 HB3 ASP 90 -5.109 -5.806 -8.246 698 H GLY 91 H GLY 91 -3.723 -3.422 -8.148 699 HA2 GLY 91 HA2 GLY 91 -3.797 -1.060 -7.997 700 HA3 GLY 91 HA3 GLY 91 -5.200 -1.009 -9.083 701 H ILE 92 H ILE 92 -4.918 0.101 -6.287 702 HA ILE 92 HA ILE 92 -6.137 -1.463 -4.338 703 HB ILE 92 HB ILE 92 -4.963 0.722 -4.142 704 HG12 ILE 92 HG12 ILE 92 -6.464 -0.584 -2.419 705 HG13 ILE 92 HG13 ILE 92 -5.662 0.916 -2.021 706 HG21 ILE 92 HG21 ILE 92 -7.672 1.992 -4.733 707 HG22 ILE 92 HG22 ILE 92 -6.207 2.818 -4.172 708 HG23 ILE 92 HG23 ILE 92 -6.244 2.021 -5.754 709 HD11 ILE 92 HD11 ILE 92 -7.752 2.169 -2.307 710 HD12 ILE 92 HD12 ILE 92 -8.597 0.708 -2.827 711 HD13 ILE 92 HD13 ILE 92 -7.992 0.827 -1.172 712 H ASP 93 H ASP 93 -7.640 0.128 -7.083 713 HA ASP 93 HA ASP 93 -10.309 0.274 -6.148 714 HB2 ASP 93 HB2 ASP 93 -9.401 1.147 -8.302 715 HB3 ASP 93 HB3 ASP 93 -9.388 -0.492 -8.933 716 H GLY 94 H GLY 94 -8.391 -2.608 -7.015 717 HA2 GLY 94 HA2 GLY 94 -10.481 -4.507 -7.339 718 HA3 GLY 94 HA3 GLY 94 -8.804 -4.830 -6.864 719 H TRP 95 H TRP 95 -8.897 -3.099 -4.477 720 HA TRP 95 HA TRP 95 -9.572 -4.842 -2.415 721 HB2 TRP 95 HB2 TRP 95 -8.131 -2.729 -2.437 722 HB3 TRP 95 HB3 TRP 95 -9.620 -1.836 -2.134 723 HD1 TRP 95 HD1 TRP 95 -10.707 -2.144 0.317 724 HE1 TRP 95 HE1 TRP 95 -9.795 -2.987 2.523 725 HE3 TRP 95 HE3 TRP 95 -6.375 -4.232 -1.439 726 HZ2 TRP 95 HZ2 TRP 95 -7.492 -4.612 3.414 727 HZ3 TRP 95 HZ3 TRP 95 -4.817 -5.367 0.126 728 HH2 TRP 95 HH2 TRP 95 -5.376 -5.584 2.536 729 H LYS 96 H LYS 96 -11.517 -2.369 -4.114 730 HA LYS 96 HA LYS 96 -13.767 -2.560 -2.253 731 HB2 LYS 96 HB2 LYS 96 -13.590 -1.220 -4.984 732 HB3 LYS 96 HB3 LYS 96 -14.971 -1.147 -3.880 733 HG2 LYS 96 HG2 LYS 96 -13.357 -0.194 -2.106 734 HG3 LYS 96 HG3 LYS 96 -12.166 -0.095 -3.389 735 HD2 LYS 96 HD2 LYS 96 -13.140 2.073 -3.239 736 HD3 LYS 96 HD3 LYS 96 -13.870 1.349 -4.677 737 HE2 LYS 96 HE2 LYS 96 -15.870 0.717 -3.288 738 HE3 LYS 96 HE3 LYS 96 -15.118 1.469 -1.878 739 HZ1 LYS 96 HZ1 LYS 96 -15.169 3.595 -3.103 740 HZ2 LYS 96 HZ2 LYS 96 -16.680 2.996 -2.929 741 HZ3 LYS 96 HZ3 LYS 96 -15.885 2.866 -4.370 742 H LYS 97 H LYS 97 -12.893 -3.918 -5.412 743 HA LYS 97 HA LYS 97 -15.450 -5.116 -5.889 744 HB2 LYS 97 HB2 LYS 97 -13.262 -4.801 -7.448 745 HB3 LYS 97 HB3 LYS 97 -12.923 -6.435 -6.888 746 HG2 LYS 97 HG2 LYS 97 -14.137 -6.658 -8.922 747 HG3 LYS 97 HG3 LYS 97 -15.282 -7.057 -7.632 748 HD2 LYS 97 HD2 LYS 97 -16.146 -4.655 -7.780 749 HD3 LYS 97 HD3 LYS 97 -15.066 -4.414 -9.150 750 HE2 LYS 97 HE2 LYS 97 -16.248 -6.240 -10.372 751 HE3 LYS 97 HE3 LYS 97 -17.298 -6.479 -8.967 752 HZ1 LYS 97 HZ1 LYS 97 -18.012 -4.162 -9.257 753 HZ2 LYS 97 HZ2 LYS 97 -18.411 -5.150 -10.509 754 HZ3 LYS 97 HZ3 LYS 97 -17.165 -4.078 -10.680 755 H ALA 98 H ALA 98 -12.454 -6.374 -4.409 756 HA ALA 98 HA ALA 98 -13.412 -8.917 -3.687 757 HB1 ALA 98 HB1 ALA 98 -11.349 -7.135 -2.299 758 HB2 ALA 98 HB2 ALA 98 -11.468 -8.900 -2.171 759 HB3 ALA 98 HB3 ALA 98 -11.036 -8.165 -3.715 760 H GLY 99 H GLY 99 -14.251 -5.802 -2.336 761 HA2 GLY 99 HA2 GLY 99 -15.824 -5.268 -0.744 762 HA3 GLY 99 HA3 GLY 99 -16.144 -6.994 -0.506 763 H LEU 100 H LEU 100 -12.853 -5.767 -0.222 764 HA LEU 100 HA LEU 100 -12.648 -6.782 2.499 765 HB2 LEU 100 HB2 LEU 100 -10.806 -5.190 0.737 766 HB3 LEU 100 HB3 LEU 100 -10.367 -5.675 2.354 767 HG LEU 100 HG LEU 100 -11.150 -7.670 0.201 768 HD11 LEU 100 HD11 LEU 100 -8.384 -6.794 1.113 769 HD12 LEU 100 HD12 LEU 100 -9.130 -6.430 -0.452 770 HD13 LEU 100 HD13 LEU 100 -8.740 -8.105 -0.033 771 HD21 LEU 100 HD21 LEU 100 -9.851 -7.994 2.961 772 HD22 LEU 100 HD22 LEU 100 -9.923 -9.258 1.727 773 HD23 LEU 100 HD23 LEU 100 -11.419 -8.629 2.415 774 HA PRO 101 HA PRO 101 -13.954 -3.247 4.690 775 HB2 PRO 101 HB2 PRO 101 -12.308 -3.020 6.884 776 HB3 PRO 101 HB3 PRO 101 -13.497 -4.336 6.661 777 HG2 PRO 101 HG2 PRO 101 -10.531 -4.387 6.035 778 HG3 PRO 101 HG3 PRO 101 -11.492 -5.591 6.948 779 HD2 PRO 101 HD2 PRO 101 -10.909 -5.915 4.303 780 HD3 PRO 101 HD3 PRO 101 -12.486 -6.429 4.957 781 H VAL 102 H VAL 102 -13.575 -1.074 5.308 782 HA VAL 102 HA VAL 102 -11.129 0.262 4.357 783 HB VAL 102 HB VAL 102 -12.666 2.143 3.595 784 HG11 VAL 102 HG11 VAL 102 -12.442 -0.376 1.915 785 HG12 VAL 102 HG12 VAL 102 -12.822 1.260 1.324 786 HG13 VAL 102 HG13 VAL 102 -11.242 0.932 2.057 787 HG21 VAL 102 HG21 VAL 102 -14.840 1.607 2.765 788 HG22 VAL 102 HG22 VAL 102 -14.648 -0.120 3.143 789 HG23 VAL 102 HG23 VAL 102 -14.767 1.068 4.451 790 H ALA 103 H ALA 103 -10.754 2.140 5.411 791 HA ALA 103 HA ALA 103 -11.534 2.288 8.221 792 HB1 ALA 103 HB1 ALA 103 -9.430 3.661 6.527 793 HB2 ALA 103 HB2 ALA 103 -9.625 3.915 8.282 794 HB3 ALA 103 HB3 ALA 103 -9.202 2.324 7.657 795 H VAL 104 H VAL 104 -13.676 2.979 6.533 796 HA VAL 104 HA VAL 104 -13.872 5.896 6.313 797 HB VAL 104 HB VAL 104 -16.303 5.328 5.806 798 HG11 VAL 104 HG11 VAL 104 -14.935 5.542 3.918 799 HG12 VAL 104 HG12 VAL 104 -14.171 3.944 4.150 800 HG13 VAL 104 HG13 VAL 104 -15.877 4.089 3.662 801 HG21 VAL 104 HG21 VAL 104 -16.966 3.012 5.507 802 HG22 VAL 104 HG22 VAL 104 -15.372 2.435 6.020 803 HG23 VAL 104 HG23 VAL 104 -16.410 3.307 7.162 804 H ASN 105 H ASN 105 -15.865 6.902 7.433 805 HA ASN 105 HA ASN 105 -15.851 6.112 10.311 806 HB2 ASN 105 HB2 ASN 105 -14.782 8.290 9.778 807 HB3 ASN 105 HB3 ASN 105 -16.326 8.851 9.111 808 HD21 ASN 105 HD21 ASN 105 -15.514 6.993 12.142 809 HD22 ASN 105 HD22 ASN 105 -16.481 8.102 13.099 810 H LYS 106 H LYS 106 -17.768 5.918 7.676 811 HA LYS 106 HA LYS 106 -20.262 5.615 9.197 812 HB2 LYS 106 HB2 LYS 106 -21.441 6.849 7.338 813 HB3 LYS 106 HB3 LYS 106 -20.389 7.876 8.311 814 HG2 LYS 106 HG2 LYS 106 -18.636 7.805 6.573 815 HG3 LYS 106 HG3 LYS 106 -19.609 6.709 5.593 816 HD2 LYS 106 HD2 LYS 106 -20.455 9.540 6.358 817 HD3 LYS 106 HD3 LYS 106 -19.606 9.092 4.870 818 HE2 LYS 106 HE2 LYS 106 -21.525 7.402 4.490 819 HE3 LYS 106 HE3 LYS 106 -22.395 8.268 5.767 820 HZ1 LYS 106 HZ1 LYS 106 -22.932 9.040 3.567 821 HZ2 LYS 106 HZ2 LYS 106 -21.378 9.453 3.251 822 HZ3 LYS 106 HZ3 LYS 106 -22.239 10.273 4.389 823 H SER 107 H SER 107 -21.909 4.602 7.346 824 HA SER 107 HA SER 107 -20.649 3.117 5.267 825 HB2 SER 107 HB2 SER 107 -20.019 1.808 7.434 826 HB3 SER 107 HB3 SER 107 -21.721 1.314 7.467 827 HG SER 107 HG SER 107 -19.861 0.170 6.224 828 H GLN 108 H GLN 108 -22.564 1.253 4.714 829 HA GLN 108 HA GLN 108 -25.207 2.499 5.116 830 HB2 GLN 108 HB2 GLN 108 -23.991 1.996 2.395 831 HB3 GLN 108 HB3 GLN 108 -25.699 2.363 2.695 832 HG2 GLN 108 HG2 GLN 108 -24.920 4.546 3.732 833 HG3 GLN 108 HG3 GLN 108 -23.281 4.164 3.179 834 HE21 GLN 108 HE21 GLN 108 -26.064 5.787 2.371 835 HE22 GLN 108 HE22 GLN 108 -25.811 5.957 0.634 Start of MODEL 4 1 H ALA 1 H ALA 1 12.381 -10.614 -1.464 2 HA ALA 1 HA ALA 1 12.266 -8.248 -2.136 3 HB1 ALA 1 HB1 ALA 1 14.176 -9.630 -2.883 4 HB2 ALA 1 HB2 ALA 1 13.264 -10.147 -4.305 5 HB3 ALA 1 HB3 ALA 1 13.739 -8.440 -4.109 6 H LEU 2 H LEU 2 12.139 -7.155 -4.588 7 HA LEU 2 HA LEU 2 9.593 -6.418 -5.128 8 HB2 LEU 2 HB2 LEU 2 11.933 -6.814 -7.022 9 HB3 LEU 2 HB3 LEU 2 10.428 -6.098 -7.559 10 HG LEU 2 HG LEU 2 12.062 -4.946 -5.265 11 HD11 LEU 2 HD11 LEU 2 12.003 -4.181 -8.225 12 HD12 LEU 2 HD12 LEU 2 13.376 -4.863 -7.331 13 HD13 LEU 2 HD13 LEU 2 12.795 -3.242 -6.934 14 HD21 LEU 2 HD21 LEU 2 9.714 -4.225 -5.211 15 HD22 LEU 2 HD22 LEU 2 9.751 -3.855 -6.947 16 HD23 LEU 2 HD23 LEU 2 10.724 -2.895 -5.804 17 H THR 3 H THR 3 7.818 -7.623 -5.372 18 HA THR 3 HA THR 3 7.645 -9.605 -7.533 19 HB THR 3 HB THR 3 6.931 -10.152 -4.625 20 HG1 THR 3 HG1 THR 3 9.056 -10.252 -4.799 21 HG21 THR 3 HG21 THR 3 5.480 -11.544 -6.015 22 HG22 THR 3 HG22 THR 3 6.727 -12.548 -5.303 23 HG23 THR 3 HG23 THR 3 6.885 -12.051 -6.998 24 H THR 4 H THR 4 5.147 -10.297 -7.651 25 HA THR 4 HA THR 4 3.312 -8.139 -6.959 26 HB THR 4 HB THR 4 3.696 -9.261 -9.773 27 HG1 THR 4 HG1 THR 4 3.711 -6.574 -9.463 28 HG21 THR 4 HG21 THR 4 1.705 -7.184 -8.719 29 HG22 THR 4 HG22 THR 4 1.305 -8.819 -9.278 30 HG23 THR 4 HG23 THR 4 1.936 -7.637 -10.424 31 H ILE 5 H ILE 5 1.133 -9.141 -6.701 32 HA ILE 5 HA ILE 5 1.043 -12.087 -6.863 33 HB ILE 5 HB ILE 5 0.505 -12.361 -4.580 34 HG12 ILE 5 HG12 ILE 5 -0.996 -10.645 -4.030 35 HG13 ILE 5 HG13 ILE 5 0.307 -10.559 -2.905 36 HG21 ILE 5 HG21 ILE 5 2.768 -10.328 -4.438 37 HG22 ILE 5 HG22 ILE 5 2.386 -11.620 -3.293 38 HG23 ILE 5 HG23 ILE 5 2.934 -12.047 -4.908 39 HD11 ILE 5 HD11 ILE 5 1.271 -8.678 -4.409 40 HD12 ILE 5 HD12 ILE 5 -0.316 -8.672 -5.211 41 HD13 ILE 5 HD13 ILE 5 -0.214 -8.323 -3.493 42 H SER 6 H SER 6 -1.331 -12.695 -5.950 43 HA SER 6 HA SER 6 -3.199 -11.656 -7.806 44 HB2 SER 6 HB2 SER 6 -3.940 -12.976 -5.187 45 HB3 SER 6 HB3 SER 6 -4.763 -13.120 -6.744 46 HG SER 6 HG SER 6 -2.625 -14.498 -5.686 47 HA PRO 7 HA PRO 7 -4.632 -8.001 -5.816 48 HB2 PRO 7 HB2 PRO 7 -7.395 -7.978 -6.128 49 HB3 PRO 7 HB3 PRO 7 -6.201 -7.608 -7.405 50 HG2 PRO 7 HG2 PRO 7 -7.555 -10.264 -6.829 51 HG3 PRO 7 HG3 PRO 7 -7.393 -9.434 -8.407 52 HD2 PRO 7 HD2 PRO 7 -5.691 -11.399 -7.731 53 HD3 PRO 7 HD3 PRO 7 -5.053 -9.920 -8.512 54 H HIS 8 H HIS 8 -6.096 -10.974 -4.580 55 HA HIS 8 HA HIS 8 -6.925 -9.592 -2.086 56 HB2 HIS 8 HB2 HIS 8 -8.411 -11.105 -3.523 57 HB3 HIS 8 HB3 HIS 8 -7.450 -12.450 -2.939 58 HD1 HIS 8 HD1 HIS 8 -10.663 -11.161 -2.355 59 HD2 HIS 8 HD2 HIS 8 -7.437 -12.341 0.105 60 HE1 HIS 8 HE1 HIS 8 -11.659 -11.878 -0.166 61 H ASP 9 H ASP 9 -4.542 -11.870 -3.333 62 HA ASP 9 HA ASP 9 -3.667 -13.196 -1.039 63 HB2 ASP 9 HB2 ASP 9 -2.307 -12.304 -3.582 64 HB3 ASP 9 HB3 ASP 9 -1.330 -12.943 -2.278 65 H ALA 10 H ALA 10 -3.013 -9.878 -2.027 66 HA ALA 10 HA ALA 10 -0.778 -9.259 -0.419 67 HB1 ALA 10 HB1 ALA 10 -1.615 -6.933 -0.543 68 HB2 ALA 10 HB2 ALA 10 -1.794 -7.736 -2.115 69 HB3 ALA 10 HB3 ALA 10 -3.208 -7.517 -1.070 70 H GLN 11 H GLN 11 -4.280 -9.058 0.378 71 HA GLN 11 HA GLN 11 -4.146 -7.988 2.929 72 HB2 GLN 11 HB2 GLN 11 -6.060 -8.285 1.332 73 HB3 GLN 11 HB3 GLN 11 -6.149 -9.958 1.780 74 HG2 GLN 11 HG2 GLN 11 -6.046 -8.063 4.100 75 HG3 GLN 11 HG3 GLN 11 -7.401 -7.876 3.034 76 HE21 GLN 11 HE21 GLN 11 -8.634 -8.550 4.983 77 HE22 GLN 11 HE22 GLN 11 -8.993 -10.276 5.095 78 H GLU 12 H GLU 12 -4.284 -11.317 1.869 79 HA GLU 12 HA GLU 12 -4.286 -12.667 4.382 80 HB2 GLU 12 HB2 GLU 12 -4.699 -13.575 2.031 81 HB3 GLU 12 HB3 GLU 12 -2.961 -13.501 1.783 82 HG2 GLU 12 HG2 GLU 12 -3.598 -15.746 2.367 83 HG3 GLU 12 HG3 GLU 12 -2.564 -15.030 3.596 84 H LEU 13 H LEU 13 -1.548 -11.380 2.431 85 HA LEU 13 HA LEU 13 0.432 -12.523 4.222 86 HB2 LEU 13 HB2 LEU 13 0.682 -10.120 2.363 87 HB3 LEU 13 HB3 LEU 13 2.010 -10.895 3.221 88 HG LEU 13 HG LEU 13 0.313 -12.193 1.056 89 HD11 LEU 13 HD11 LEU 13 3.214 -11.308 1.074 90 HD12 LEU 13 HD12 LEU 13 1.875 -10.451 0.299 91 HD13 LEU 13 HD13 LEU 13 2.369 -12.058 -0.281 92 HD21 LEU 13 HD21 LEU 13 2.060 -14.024 1.187 93 HD22 LEU 13 HD22 LEU 13 0.940 -13.955 2.549 94 HD23 LEU 13 HD23 LEU 13 2.577 -13.301 2.736 95 H ILE 14 H ILE 14 -1.158 -9.320 4.027 96 HA ILE 14 HA ILE 14 0.202 -8.124 6.214 97 HB ILE 14 HB ILE 14 -2.565 -7.652 5.060 98 HG12 ILE 14 HG12 ILE 14 -0.351 -5.629 4.839 99 HG13 ILE 14 HG13 ILE 14 -0.109 -7.097 3.927 100 HG21 ILE 14 HG21 ILE 14 -1.047 -6.092 7.136 101 HG22 ILE 14 HG22 ILE 14 -2.396 -5.400 6.199 102 HG23 ILE 14 HG23 ILE 14 -2.690 -6.771 7.280 103 HD11 ILE 14 HD11 ILE 14 -2.338 -6.829 2.855 104 HD12 ILE 14 HD12 ILE 14 -2.608 -5.336 3.776 105 HD13 ILE 14 HD13 ILE 14 -1.305 -5.428 2.557 106 H ALA 15 H ALA 15 -2.819 -10.071 6.155 107 HA ALA 15 HA ALA 15 -3.404 -9.860 8.920 108 HB1 ALA 15 HB1 ALA 15 -3.945 -12.174 6.993 109 HB2 ALA 15 HB2 ALA 15 -4.747 -11.891 8.552 110 HB3 ALA 15 HB3 ALA 15 -4.979 -10.737 7.220 111 H ARG 16 H ARG 16 -1.335 -12.173 7.138 112 HA ARG 16 HA ARG 16 -0.672 -13.733 9.483 113 HB2 ARG 16 HB2 ARG 16 0.675 -13.544 6.753 114 HB3 ARG 16 HB3 ARG 16 1.044 -14.734 8.001 115 HG2 ARG 16 HG2 ARG 16 -1.145 -15.754 7.793 116 HG3 ARG 16 HG3 ARG 16 -1.788 -14.434 6.895 117 HD2 ARG 16 HD2 ARG 16 -0.323 -14.890 4.996 118 HD3 ARG 16 HD3 ARG 16 0.503 -16.159 5.895 119 HE ARG 16 HE ARG 16 -2.424 -16.387 5.636 120 HH11 ARG 16 HH11 ARG 16 0.603 -17.496 4.131 121 HH12 ARG 16 HH12 ARG 16 -0.240 -18.480 2.961 122 HH21 ARG 16 HH21 ARG 16 -3.415 -17.647 4.220 123 HH22 ARG 16 HH22 ARG 16 -2.598 -18.485 2.928 124 H GLY 17 H GLY 17 0.702 -10.775 8.082 125 HA2 GLY 17 HA2 GLY 17 1.906 -9.821 10.341 126 HA3 GLY 17 HA3 GLY 17 3.091 -10.981 9.756 127 H ALA 18 H ALA 18 1.913 -9.860 6.891 128 HA ALA 18 HA ALA 18 4.231 -8.183 6.519 129 HB1 ALA 18 HB1 ALA 18 3.419 -7.883 4.236 130 HB2 ALA 18 HB2 ALA 18 3.248 -9.580 4.704 131 HB3 ALA 18 HB3 ALA 18 1.825 -8.515 4.662 132 H LYS 19 H LYS 19 3.786 -5.943 5.334 133 HA LYS 19 HA LYS 19 1.787 -4.378 6.915 134 HB2 LYS 19 HB2 LYS 19 4.706 -4.069 6.805 135 HB3 LYS 19 HB3 LYS 19 3.919 -2.586 6.327 136 HG2 LYS 19 HG2 LYS 19 3.333 -4.141 8.879 137 HG3 LYS 19 HG3 LYS 19 4.446 -2.771 8.793 138 HD2 LYS 19 HD2 LYS 19 2.757 -1.195 8.556 139 HD3 LYS 19 HD3 LYS 19 1.661 -2.304 7.772 140 HE2 LYS 19 HE2 LYS 19 1.804 -3.509 10.190 141 HE3 LYS 19 HE3 LYS 19 2.140 -1.851 10.699 142 HZ1 LYS 19 HZ1 LYS 19 -0.043 -1.219 9.803 143 HZ2 LYS 19 HZ2 LYS 19 -0.238 -2.561 10.705 144 HZ3 LYS 19 HZ3 LYS 19 -0.202 -2.683 9.081 145 H LEU 20 H LEU 20 0.877 -2.612 5.865 146 HA LEU 20 HA LEU 20 1.142 -2.618 2.890 147 HB2 LEU 20 HB2 LEU 20 -1.011 -3.486 3.917 148 HB3 LEU 20 HB3 LEU 20 -1.276 -1.902 4.555 149 HG LEU 20 HG LEU 20 -1.502 -0.891 2.393 150 HD11 LEU 20 HD11 LEU 20 -0.718 -3.602 1.247 151 HD12 LEU 20 HD12 LEU 20 0.093 -2.037 1.004 152 HD13 LEU 20 HD13 LEU 20 -1.508 -2.320 0.313 153 HD21 LEU 20 HD21 LEU 20 -3.064 -3.517 2.321 154 HD22 LEU 20 HD22 LEU 20 -3.545 -1.947 1.662 155 HD23 LEU 20 HD23 LEU 20 -3.460 -2.185 3.414 156 H ILE 21 H ILE 21 1.911 -0.821 2.059 157 HA ILE 21 HA ILE 21 1.622 1.752 3.518 158 HB ILE 21 HB ILE 21 3.984 0.578 2.015 159 HG12 ILE 21 HG12 ILE 21 5.314 1.271 3.927 160 HG13 ILE 21 HG13 ILE 21 3.903 1.989 4.718 161 HG21 ILE 21 HG21 ILE 21 5.021 2.897 2.337 162 HG22 ILE 21 HG22 ILE 21 3.761 2.787 1.098 163 HG23 ILE 21 HG23 ILE 21 3.374 3.478 2.684 164 HD11 ILE 21 HD11 ILE 21 4.007 -0.984 4.118 165 HD12 ILE 21 HD12 ILE 21 4.823 -0.300 5.530 166 HD13 ILE 21 HD13 ILE 21 3.082 -0.108 5.372 167 H ASP 22 H ASP 22 0.702 3.292 2.494 168 HA ASP 22 HA ASP 22 -0.168 2.995 -0.339 169 HB2 ASP 22 HB2 ASP 22 -1.028 4.703 2.038 170 HB3 ASP 22 HB3 ASP 22 -1.433 5.147 0.385 171 H ILE 23 H ILE 23 1.176 3.958 -1.769 172 HA ILE 23 HA ILE 23 2.847 6.249 -0.911 173 HB ILE 23 HB ILE 23 4.090 5.820 -2.970 174 HG12 ILE 23 HG12 ILE 23 2.199 3.456 -3.399 175 HG13 ILE 23 HG13 ILE 23 2.239 4.927 -4.373 176 HG21 ILE 23 HG21 ILE 23 5.155 3.769 -2.199 177 HG22 ILE 23 HG22 ILE 23 4.648 4.733 -0.804 178 HG23 ILE 23 HG23 ILE 23 3.687 3.325 -1.302 179 HD11 ILE 23 HD11 ILE 23 4.626 4.364 -4.993 180 HD12 ILE 23 HD12 ILE 23 4.395 2.793 -4.184 181 HD13 ILE 23 HD13 ILE 23 3.396 3.244 -5.577 182 H ARG 24 H ARG 24 -0.266 6.167 -2.072 183 HA ARG 24 HA ARG 24 -0.150 7.750 -4.404 184 HB2 ARG 24 HB2 ARG 24 -2.469 7.899 -2.484 185 HB3 ARG 24 HB3 ARG 24 -2.440 7.940 -4.213 186 HG2 ARG 24 HG2 ARG 24 -2.975 5.780 -4.310 187 HG3 ARG 24 HG3 ARG 24 -1.511 5.314 -3.487 188 HD2 ARG 24 HD2 ARG 24 -3.480 4.481 -2.299 189 HD3 ARG 24 HD3 ARG 24 -2.615 5.640 -1.308 190 HE ARG 24 HE ARG 24 -4.673 6.857 -2.911 191 HH11 ARG 24 HH11 ARG 24 -4.309 4.924 0.026 192 HH12 ARG 24 HH12 ARG 24 -5.701 5.570 0.816 193 HH21 ARG 24 HH21 ARG 24 -6.737 7.494 -1.949 194 HH22 ARG 24 HH22 ARG 24 -7.066 7.152 -0.309 195 H ASP 25 H ASP 25 -1.453 9.032 -1.294 196 HA ASP 25 HA ASP 25 0.361 11.217 -1.101 197 HB2 ASP 25 HB2 ASP 25 -1.444 11.720 -3.104 198 HB3 ASP 25 HB3 ASP 25 -2.364 12.247 -1.685 199 H ALA 26 H ALA 26 -0.214 12.477 0.774 200 HA ALA 26 HA ALA 26 -1.658 10.969 2.836 201 HB1 ALA 26 HB1 ALA 26 -0.645 13.851 2.840 202 HB2 ALA 26 HB2 ALA 26 -1.251 12.970 4.254 203 HB3 ALA 26 HB3 ALA 26 0.240 12.439 3.453 204 H ASP 27 H ASP 27 -2.254 13.753 0.793 205 HA ASP 27 HA ASP 27 -4.792 14.568 1.799 206 HB2 ASP 27 HB2 ASP 27 -3.691 14.734 -1.052 207 HB3 ASP 27 HB3 ASP 27 -5.056 15.637 -0.385 208 H GLU 28 H GLU 28 -3.855 12.160 -0.701 209 HA GLU 28 HA GLU 28 -6.531 11.617 -1.527 210 HB2 GLU 28 HB2 GLU 28 -3.923 10.079 -1.861 211 HB3 GLU 28 HB3 GLU 28 -5.470 9.520 -2.532 212 HG2 GLU 28 HG2 GLU 28 -5.719 11.605 -3.799 213 HG3 GLU 28 HG3 GLU 28 -4.265 12.260 -3.094 214 H TYR 29 H TYR 29 -4.322 10.153 0.842 215 HA TYR 29 HA TYR 29 -5.857 7.927 1.652 216 HB2 TYR 29 HB2 TYR 29 -3.399 8.730 2.265 217 HB3 TYR 29 HB3 TYR 29 -4.173 9.545 3.591 218 HD1 TYR 29 HD1 TYR 29 -5.003 8.257 5.527 219 HD2 TYR 29 HD2 TYR 29 -3.352 6.271 2.068 220 HE1 TYR 29 HE1 TYR 29 -4.695 6.156 6.837 221 HE2 TYR 29 HE2 TYR 29 -3.146 4.201 3.365 222 HH TYR 29 HH TYR 29 -3.456 4.021 6.763 223 H LEU 30 H LEU 30 -6.008 11.297 2.662 224 HA LEU 30 HA LEU 30 -7.550 11.175 4.943 225 HB2 LEU 30 HB2 LEU 30 -6.420 13.149 3.644 226 HB3 LEU 30 HB3 LEU 30 -7.930 13.284 2.793 227 HG LEU 30 HG LEU 30 -9.122 13.641 4.981 228 HD11 LEU 30 HD11 LEU 30 -7.643 14.326 6.929 229 HD12 LEU 30 HD12 LEU 30 -6.254 13.639 6.061 230 HD13 LEU 30 HD13 LEU 30 -7.597 12.599 6.591 231 HD21 LEU 30 HD21 LEU 30 -8.217 15.955 5.258 232 HD22 LEU 30 HD22 LEU 30 -8.413 15.518 3.553 233 HD23 LEU 30 HD23 LEU 30 -6.803 15.491 4.287 234 H ARG 31 H ARG 31 -8.749 11.224 1.597 235 HA ARG 31 HA ARG 31 -11.545 11.422 2.347 236 HB2 ARG 31 HB2 ARG 31 -10.355 10.517 -0.270 237 HB3 ARG 31 HB3 ARG 31 -12.069 10.772 0.030 238 HG2 ARG 31 HG2 ARG 31 -10.786 13.154 0.983 239 HG3 ARG 31 HG3 ARG 31 -9.980 12.717 -0.519 240 HD2 ARG 31 HD2 ARG 31 -11.792 14.211 -1.035 241 HD3 ARG 31 HD3 ARG 31 -12.181 12.600 -1.652 242 HE ARG 31 HE ARG 31 -13.214 13.181 1.022 243 HH11 ARG 31 HH11 ARG 31 -14.026 13.332 -2.466 244 HH12 ARG 31 HH12 ARG 31 -15.607 12.668 -2.210 245 HH21 ARG 31 HH21 ARG 31 -15.417 12.979 1.338 246 HH22 ARG 31 HH22 ARG 31 -16.518 12.828 -0.006 247 H GLU 32 H GLU 32 -9.578 8.607 1.240 248 HA GLU 32 HA GLU 32 -11.004 6.811 2.912 249 HB2 GLU 32 HB2 GLU 32 -11.770 5.300 1.030 250 HB3 GLU 32 HB3 GLU 32 -12.743 6.662 1.449 251 HG2 GLU 32 HG2 GLU 32 -11.375 7.755 -0.666 252 HG3 GLU 32 HG3 GLU 32 -11.343 6.033 -1.062 253 H HIS 33 H HIS 33 -9.939 4.876 3.096 254 HA HIS 33 HA HIS 33 -7.712 4.140 1.411 255 HB2 HIS 33 HB2 HIS 33 -6.056 4.317 3.197 256 HB3 HIS 33 HB3 HIS 33 -6.740 5.905 2.915 257 HD1 HIS 33 HD1 HIS 33 -6.415 3.267 5.646 258 HD2 HIS 33 HD2 HIS 33 -8.389 6.917 4.857 259 HE1 HIS 33 HE1 HIS 33 -7.276 4.125 7.876 260 H ILE 34 H ILE 34 -6.581 2.236 2.935 261 HA ILE 34 HA ILE 34 -8.779 0.385 3.616 262 HB ILE 34 HB ILE 34 -5.838 -0.044 2.988 263 HG12 ILE 34 HG12 ILE 34 -8.249 -0.848 1.296 264 HG13 ILE 34 HG13 ILE 34 -7.415 0.682 1.049 265 HG21 ILE 34 HG21 ILE 34 -6.740 -1.773 4.522 266 HG22 ILE 34 HG22 ILE 34 -7.951 -2.193 3.304 267 HG23 ILE 34 HG23 ILE 34 -6.210 -2.396 2.994 268 HD11 ILE 34 HD11 ILE 34 -6.529 -0.951 -0.476 269 HD12 ILE 34 HD12 ILE 34 -5.281 -0.477 0.715 270 HD13 ILE 34 HD13 ILE 34 -6.101 -2.031 0.864 271 HA PRO 35 HA PRO 35 -7.560 1.069 7.899 272 HB2 PRO 35 HB2 PRO 35 -8.553 -1.236 9.028 273 HB3 PRO 35 HB3 PRO 35 -9.586 0.143 8.529 274 HG2 PRO 35 HG2 PRO 35 -9.026 -2.456 7.076 275 HG3 PRO 35 HG3 PRO 35 -10.597 -1.596 7.270 276 HD2 PRO 35 HD2 PRO 35 -9.051 -1.450 5.033 277 HD3 PRO 35 HD3 PRO 35 -10.005 -0.058 5.563 278 H GLU 36 H GLU 36 -6.824 -1.898 6.235 279 HA GLU 36 HA GLU 36 -5.052 -3.182 7.918 280 HB2 GLU 36 HB2 GLU 36 -5.116 -3.455 4.948 281 HB3 GLU 36 HB3 GLU 36 -4.491 -4.605 6.127 282 HG2 GLU 36 HG2 GLU 36 -7.313 -3.630 6.027 283 HG3 GLU 36 HG3 GLU 36 -6.766 -5.120 5.235 284 H ALA 37 H ALA 37 -4.481 -0.161 6.665 285 HA ALA 37 HA ALA 37 -1.586 -0.566 6.121 286 HB1 ALA 37 HB1 ALA 37 -3.205 1.566 4.735 287 HB2 ALA 37 HB2 ALA 37 -1.723 0.743 4.192 288 HB3 ALA 37 HB3 ALA 37 -3.288 -0.075 4.102 289 H ASP 38 H ASP 38 -0.341 1.512 6.268 290 HA ASP 38 HA ASP 38 -1.283 2.943 8.764 291 HB2 ASP 38 HB2 ASP 38 0.856 1.840 8.990 292 HB3 ASP 38 HB3 ASP 38 1.555 2.888 7.732 293 H LEU 39 H LEU 39 0.851 4.017 6.174 294 HA LEU 39 HA LEU 39 -0.151 5.579 4.440 295 HB2 LEU 39 HB2 LEU 39 -1.641 6.821 5.844 296 HB3 LEU 39 HB3 LEU 39 -0.320 7.179 6.974 297 HG LEU 39 HG LEU 39 0.735 8.663 5.325 298 HD11 LEU 39 HD11 LEU 39 -1.621 7.970 3.532 299 HD12 LEU 39 HD12 LEU 39 0.051 7.544 3.203 300 HD13 LEU 39 HD13 LEU 39 -0.433 9.235 3.203 301 HD21 LEU 39 HD21 LEU 39 -1.037 9.529 6.865 302 HD22 LEU 39 HD22 LEU 39 -2.222 9.307 5.567 303 HD23 LEU 39 HD23 LEU 39 -0.886 10.452 5.351 304 H ALA 40 H ALA 40 1.603 6.161 3.278 305 HA ALA 40 HA ALA 40 3.848 7.579 4.366 306 HB1 ALA 40 HB1 ALA 40 4.897 5.037 3.215 307 HB2 ALA 40 HB2 ALA 40 5.534 6.121 4.429 308 HB3 ALA 40 HB3 ALA 40 4.266 4.971 4.885 309 HA PRO 41 HA PRO 41 2.529 8.124 -0.036 310 HB2 PRO 41 HB2 PRO 41 2.873 10.850 -0.190 311 HB3 PRO 41 HB3 PRO 41 1.414 10.070 0.486 312 HG2 PRO 41 HG2 PRO 41 3.786 11.137 1.980 313 HG3 PRO 41 HG3 PRO 41 2.052 11.409 2.329 314 HD2 PRO 41 HD2 PRO 41 3.516 9.542 3.660 315 HD3 PRO 41 HD3 PRO 41 1.822 9.206 3.225 316 H LEU 42 H LEU 42 3.787 8.613 -1.948 317 HA LEU 42 HA LEU 42 6.492 7.977 -1.668 318 HB2 LEU 42 HB2 LEU 42 4.866 8.186 -3.802 319 HB3 LEU 42 HB3 LEU 42 5.806 9.632 -4.025 320 HG LEU 42 HG LEU 42 7.254 8.439 -5.152 321 HD11 LEU 42 HD11 LEU 42 7.967 6.750 -2.713 322 HD12 LEU 42 HD12 LEU 42 8.554 8.385 -2.937 323 HD13 LEU 42 HD13 LEU 42 8.988 7.152 -4.113 324 HD21 LEU 42 HD21 LEU 42 7.116 6.012 -5.358 325 HD22 LEU 42 HD22 LEU 42 5.500 6.737 -5.391 326 HD23 LEU 42 HD23 LEU 42 6.093 5.951 -3.898 327 H SER 43 H SER 43 4.800 11.090 -1.600 328 HA SER 43 HA SER 43 6.838 12.925 -1.938 329 HB2 SER 43 HB2 SER 43 4.631 13.271 0.121 330 HB3 SER 43 HB3 SER 43 5.291 14.458 -1.012 331 HG SER 43 HG SER 43 3.543 13.971 -2.042 332 H VAL 44 H VAL 44 6.032 10.914 0.890 333 HA VAL 44 HA VAL 44 7.967 12.319 2.625 334 HB VAL 44 HB VAL 44 5.918 10.112 3.037 335 HG11 VAL 44 HG11 VAL 44 7.809 9.454 4.442 336 HG12 VAL 44 HG12 VAL 44 7.955 11.110 5.067 337 HG13 VAL 44 HG13 VAL 44 6.521 10.123 5.446 338 HG21 VAL 44 HG21 VAL 44 6.262 12.830 4.370 339 HG22 VAL 44 HG22 VAL 44 5.194 12.551 2.993 340 HG23 VAL 44 HG23 VAL 44 4.881 11.728 4.536 341 H LEU 45 H LEU 45 7.513 9.176 0.934 342 HA LEU 45 HA LEU 45 9.834 7.916 1.977 343 HB2 LEU 45 HB2 LEU 45 8.177 7.508 -0.496 344 HB3 LEU 45 HB3 LEU 45 9.677 6.702 -0.385 345 HG LEU 45 HG LEU 45 7.497 5.474 0.447 346 HD11 LEU 45 HD11 LEU 45 9.975 5.457 2.193 347 HD12 LEU 45 HD12 LEU 45 9.842 4.651 0.620 348 HD13 LEU 45 HD13 LEU 45 8.815 4.134 1.962 349 HD21 LEU 45 HD21 LEU 45 7.075 5.578 2.816 350 HD22 LEU 45 HD22 LEU 45 6.648 7.110 2.039 351 HD23 LEU 45 HD23 LEU 45 8.129 6.973 3.017 352 H GLU 46 H GLU 46 9.521 9.755 -1.149 353 HA GLU 46 HA GLU 46 12.292 9.423 -1.734 354 HB2 GLU 46 HB2 GLU 46 10.240 11.409 -2.722 355 HB3 GLU 46 HB3 GLU 46 11.948 11.555 -3.145 356 HG2 GLU 46 HG2 GLU 46 11.702 8.980 -3.805 357 HG3 GLU 46 HG3 GLU 46 10.008 9.414 -3.944 358 H GLN 47 H GLN 47 10.538 11.768 0.237 359 HA GLN 47 HA GLN 47 12.831 13.518 0.538 360 HB2 GLN 47 HB2 GLN 47 10.073 13.527 1.808 361 HB3 GLN 47 HB3 GLN 47 11.358 14.628 2.309 362 HG2 GLN 47 HG2 GLN 47 11.650 15.368 -0.061 363 HG3 GLN 47 HG3 GLN 47 10.231 14.433 -0.514 364 HE21 GLN 47 HE21 GLN 47 8.175 15.044 0.617 365 HE22 GLN 47 HE22 GLN 47 7.910 16.718 1.108 366 H SER 48 H SER 48 11.016 11.995 3.235 367 HA SER 48 HA SER 48 13.514 11.951 4.783 368 HB2 SER 48 HB2 SER 48 11.019 12.708 5.485 369 HB3 SER 48 HB3 SER 48 10.913 11.002 5.932 370 HG SER 48 HG SER 48 12.967 11.432 7.146 371 H GLY 49 H GLY 49 11.137 9.606 3.438 372 HA2 GLY 49 HA2 GLY 49 11.996 7.413 2.754 373 HA3 GLY 49 HA3 GLY 49 13.029 7.394 4.181 374 H LEU 50 H LEU 50 11.868 5.268 4.433 375 HA LEU 50 HA LEU 50 9.060 5.382 5.313 376 HB2 LEU 50 HB2 LEU 50 10.029 3.487 3.930 377 HB3 LEU 50 HB3 LEU 50 11.113 3.124 5.269 378 HG LEU 50 HG LEU 50 8.912 2.881 6.687 379 HD11 LEU 50 HD11 LEU 50 7.352 3.806 4.959 380 HD12 LEU 50 HD12 LEU 50 6.948 2.151 5.453 381 HD13 LEU 50 HD13 LEU 50 7.759 2.443 3.909 382 HD21 LEU 50 HD21 LEU 50 8.702 0.498 5.895 383 HD22 LEU 50 HD22 LEU 50 10.341 1.054 6.288 384 HD23 LEU 50 HD23 LEU 50 9.851 0.921 4.603 385 HA PRO 51 HA PRO 51 10.523 5.973 9.519 386 HB2 PRO 51 HB2 PRO 51 8.353 5.181 11.011 387 HB3 PRO 51 HB3 PRO 51 8.382 6.686 10.022 388 HG2 PRO 51 HG2 PRO 51 7.249 4.012 9.245 389 HG3 PRO 51 HG3 PRO 51 6.440 5.613 9.178 390 HD2 PRO 51 HD2 PRO 51 7.635 4.569 6.995 391 HD3 PRO 51 HD3 PRO 51 7.809 6.292 7.329 392 H ALA 52 H ALA 52 11.371 4.754 11.233 393 HA ALA 52 HA ALA 52 12.180 2.142 10.725 394 HB1 ALA 52 HB1 ALA 52 12.950 2.100 13.081 395 HB2 ALA 52 HB2 ALA 52 13.386 3.584 12.238 396 HB3 ALA 52 HB3 ALA 52 12.025 3.585 13.392 397 H LYS 53 H LYS 53 9.113 3.047 11.782 398 HA LYS 53 HA LYS 53 8.423 0.630 13.337 399 HB2 LYS 53 HB2 LYS 53 6.674 2.894 12.241 400 HB3 LYS 53 HB3 LYS 53 6.184 1.685 13.416 401 HG2 LYS 53 HG2 LYS 53 8.290 3.850 13.827 402 HG3 LYS 53 HG3 LYS 53 6.636 3.869 14.443 403 HD2 LYS 53 HD2 LYS 53 7.145 1.749 15.735 404 HD3 LYS 53 HD3 LYS 53 8.833 1.891 15.230 405 HE2 LYS 53 HE2 LYS 53 7.252 4.006 16.768 406 HE3 LYS 53 HE3 LYS 53 8.375 2.843 17.499 407 HZ1 LYS 53 HZ1 LYS 53 9.187 4.865 15.472 408 HZ2 LYS 53 HZ2 LYS 53 10.162 3.812 16.239 409 HZ3 LYS 53 HZ3 LYS 53 9.419 4.999 17.082 410 H LEU 54 H LEU 54 7.885 1.914 10.045 411 HA LEU 54 HA LEU 54 5.979 -0.283 9.462 412 HB2 LEU 54 HB2 LEU 54 7.011 2.052 7.816 413 HB3 LEU 54 HB3 LEU 54 5.880 0.854 7.200 414 HG LEU 54 HG LEU 54 5.337 2.651 9.583 415 HD11 LEU 54 HD11 LEU 54 3.865 3.919 8.143 416 HD12 LEU 54 HD12 LEU 54 4.167 2.824 6.778 417 HD13 LEU 54 HD13 LEU 54 5.457 3.870 7.378 418 HD21 LEU 54 HD21 LEU 54 3.079 1.864 9.475 419 HD22 LEU 54 HD22 LEU 54 4.072 0.447 9.559 420 HD23 LEU 54 HD23 LEU 54 3.388 0.927 7.989 421 H ARG 55 H ARG 55 9.268 -0.043 9.428 422 HA ARG 55 HA ARG 55 9.859 -1.496 7.007 423 HB2 ARG 55 HB2 ARG 55 12.153 -1.415 7.686 424 HB3 ARG 55 HB3 ARG 55 11.423 0.152 7.939 425 HG2 ARG 55 HG2 ARG 55 12.117 0.207 10.010 426 HG3 ARG 55 HG3 ARG 55 11.152 -1.203 10.438 427 HD2 ARG 55 HD2 ARG 55 12.959 -2.691 9.988 428 HD3 ARG 55 HD3 ARG 55 13.881 -1.446 9.115 429 HE ARG 55 HE ARG 55 13.419 -0.679 11.855 430 HH11 ARG 55 HH11 ARG 55 15.286 -3.066 10.039 431 HH12 ARG 55 HH12 ARG 55 16.586 -3.095 11.159 432 HH21 ARG 55 HH21 ARG 55 15.211 -0.612 13.286 433 HH22 ARG 55 HH22 ARG 55 16.613 -1.591 12.938 434 H HIS 56 H HIS 56 8.004 -2.792 8.577 435 HA HIS 56 HA HIS 56 9.015 -5.005 10.087 436 HB2 HIS 56 HB2 HIS 56 6.489 -4.215 9.443 437 HB3 HIS 56 HB3 HIS 56 6.640 -5.555 8.326 438 HD1 HIS 56 HD1 HIS 56 5.375 -7.608 9.555 439 HD2 HIS 56 HD2 HIS 56 7.556 -5.050 12.124 440 HE1 HIS 56 HE1 HIS 56 5.271 -8.644 11.803 441 H GLU 57 H GLU 57 9.268 -7.246 9.373 442 HA GLU 57 HA GLU 57 11.217 -7.663 7.531 443 HB2 GLU 57 HB2 GLU 57 9.048 -9.605 8.382 444 HB3 GLU 57 HB3 GLU 57 10.454 -10.070 7.406 445 HG2 GLU 57 HG2 GLU 57 11.960 -9.104 9.178 446 HG3 GLU 57 HG3 GLU 57 10.534 -8.841 10.188 447 H GLN 58 H GLN 58 7.749 -7.762 6.607 448 HA GLN 58 HA GLN 58 8.636 -7.473 3.809 449 HB2 GLN 58 HB2 GLN 58 6.487 -9.488 4.628 450 HB3 GLN 58 HB3 GLN 58 7.133 -9.168 3.014 451 HG2 GLN 58 HG2 GLN 58 9.410 -10.005 3.933 452 HG3 GLN 58 HG3 GLN 58 8.524 -10.537 5.343 453 HE21 GLN 58 HE21 GLN 58 8.418 -12.830 5.135 454 HE22 GLN 58 HE22 GLN 58 7.880 -13.655 3.715 455 H ILE 59 H ILE 59 7.579 -5.906 2.772 456 HA ILE 59 HA ILE 59 4.986 -5.085 3.902 457 HB ILE 59 HB ILE 59 5.476 -2.888 3.823 458 HG12 ILE 59 HG12 ILE 59 8.168 -3.314 2.572 459 HG13 ILE 59 HG13 ILE 59 6.811 -3.045 1.595 460 HG21 ILE 59 HG21 ILE 59 7.323 -2.506 5.315 461 HG22 ILE 59 HG22 ILE 59 6.605 -4.068 5.746 462 HG23 ILE 59 HG23 ILE 59 8.121 -4.004 4.835 463 HD11 ILE 59 HD11 ILE 59 7.909 -1.068 3.627 464 HD12 ILE 59 HD12 ILE 59 7.838 -0.903 1.854 465 HD13 ILE 59 HD13 ILE 59 6.345 -0.860 2.801 466 H ILE 60 H ILE 60 3.996 -3.561 2.293 467 HA ILE 60 HA ILE 60 4.135 -4.517 -0.537 468 HB ILE 60 HB ILE 60 1.687 -4.491 1.272 469 HG12 ILE 60 HG12 ILE 60 2.432 -6.944 -0.295 470 HG13 ILE 60 HG13 ILE 60 3.448 -6.599 1.064 471 HG21 ILE 60 HG21 ILE 60 2.000 -4.758 -1.699 472 HG22 ILE 60 HG22 ILE 60 0.602 -5.503 -0.883 473 HG23 ILE 60 HG23 ILE 60 0.839 -3.753 -0.803 474 HD11 ILE 60 HD11 ILE 60 1.600 -6.438 2.581 475 HD12 ILE 60 HD12 ILE 60 0.452 -6.824 1.262 476 HD13 ILE 60 HD13 ILE 60 1.660 -8.032 1.782 477 H PHE 61 H PHE 61 3.393 -3.002 -2.100 478 HA PHE 61 HA PHE 61 2.694 -0.261 -1.147 479 HB2 PHE 61 HB2 PHE 61 4.421 -1.111 -3.510 480 HB3 PHE 61 HB3 PHE 61 3.728 0.482 -3.334 481 HD1 PHE 61 HD1 PHE 61 4.187 1.343 -0.606 482 HD2 PHE 61 HD2 PHE 61 6.802 -1.103 -3.034 483 HE1 PHE 61 HE1 PHE 61 6.156 2.151 0.633 484 HE2 PHE 61 HE2 PHE 61 8.689 -0.370 -1.693 485 HZ PHE 61 HZ PHE 61 8.355 1.214 0.149 486 H HIS 62 H HIS 62 0.614 0.207 -1.712 487 HA HIS 62 HA HIS 62 -0.563 -1.074 -4.098 488 HB2 HIS 62 HB2 HIS 62 -1.477 -1.605 -1.793 489 HB3 HIS 62 HB3 HIS 62 -1.985 0.081 -1.666 490 HD1 HIS 62 HD1 HIS 62 -2.544 -1.371 -5.104 491 HD2 HIS 62 HD2 HIS 62 -4.423 -1.462 -1.347 492 HE1 HIS 62 HE1 HIS 62 -4.992 -2.028 -5.511 493 H CYS 63 H CYS 63 -2.223 0.466 -5.209 494 HA CYS 63 HA CYS 63 -1.424 3.290 -5.055 495 HB2 CYS 63 HB2 CYS 63 -1.360 3.268 -7.559 496 HB3 CYS 63 HB3 CYS 63 -0.072 2.315 -6.805 497 HG CYS 63 HG CYS 63 -2.060 1.560 -9.002 498 H GLN 64 H GLN 64 -2.885 4.614 -6.442 499 HA GLN 64 HA GLN 64 -5.549 4.341 -5.534 500 HB2 GLN 64 HB2 GLN 64 -4.253 6.489 -5.853 501 HB3 GLN 64 HB3 GLN 64 -4.334 6.273 -7.584 502 HG2 GLN 64 HG2 GLN 64 -5.973 7.898 -6.715 503 HG3 GLN 64 HG3 GLN 64 -6.746 6.551 -7.556 504 HE21 GLN 64 HE21 GLN 64 -8.717 6.508 -6.464 505 HE22 GLN 64 HE22 GLN 64 -8.879 6.181 -4.747 506 H ALA 65 H ALA 65 -4.770 4.998 -8.916 507 HA ALA 65 HA ALA 65 -6.409 2.738 -9.921 508 HB1 ALA 65 HB1 ALA 65 -6.857 5.668 -10.649 509 HB2 ALA 65 HB2 ALA 65 -7.642 4.269 -11.408 510 HB3 ALA 65 HB3 ALA 65 -7.964 4.639 -9.708 511 H GLY 66 H GLY 66 -3.551 4.583 -9.960 512 HA2 GLY 66 HA2 GLY 66 -2.805 3.890 -12.737 513 HA3 GLY 66 HA3 GLY 66 -2.317 5.397 -11.932 514 H LYS 67 H LYS 67 -0.290 3.713 -12.768 515 HA LYS 67 HA LYS 67 0.426 1.757 -10.815 516 HB2 LYS 67 HB2 LYS 67 2.162 3.149 -12.876 517 HB3 LYS 67 HB3 LYS 67 2.657 1.789 -11.850 518 HG2 LYS 67 HG2 LYS 67 0.816 0.416 -12.882 519 HG3 LYS 67 HG3 LYS 67 0.508 1.769 -13.988 520 HD2 LYS 67 HD2 LYS 67 1.926 0.330 -15.197 521 HD3 LYS 67 HD3 LYS 67 2.990 1.626 -14.643 522 HE2 LYS 67 HE2 LYS 67 3.598 0.088 -12.663 523 HE3 LYS 67 HE3 LYS 67 2.652 -1.171 -13.453 524 HZ1 LYS 67 HZ1 LYS 67 4.843 -1.486 -14.051 525 HZ2 LYS 67 HZ2 LYS 67 5.117 0.105 -14.466 526 HZ3 LYS 67 HZ3 LYS 67 4.160 -0.874 -15.400 527 H ARG 68 H ARG 68 2.650 4.431 -11.416 528 HA ARG 68 HA ARG 68 3.857 5.834 -10.110 529 HB2 ARG 68 HB2 ARG 68 1.938 5.190 -7.837 530 HB3 ARG 68 HB3 ARG 68 3.299 6.284 -7.720 531 HG2 ARG 68 HG2 ARG 68 2.392 7.796 -9.327 532 HG3 ARG 68 HG3 ARG 68 1.080 6.681 -9.756 533 HD2 ARG 68 HD2 ARG 68 -0.037 6.997 -7.687 534 HD3 ARG 68 HD3 ARG 68 1.415 7.608 -6.900 535 HE ARG 68 HE ARG 68 0.550 9.630 -7.251 536 HH11 ARG 68 HH11 ARG 68 -0.771 7.832 -9.937 537 HH12 ARG 68 HH12 ARG 68 -0.839 9.186 -11.046 538 HH21 ARG 68 HH21 ARG 68 -0.021 11.479 -8.404 539 HH22 ARG 68 HH22 ARG 68 -0.901 11.318 -9.890 540 H THR 69 H THR 69 3.066 2.695 -8.781 541 HA THR 69 HA THR 69 5.032 2.104 -7.029 542 HB THR 69 HB THR 69 4.297 -0.264 -7.919 543 HG1 THR 69 HG1 THR 69 2.226 -0.032 -9.010 544 HG21 THR 69 HG21 THR 69 2.162 1.661 -6.873 545 HG22 THR 69 HG22 THR 69 3.360 0.820 -5.862 546 HG23 THR 69 HG23 THR 69 2.145 -0.110 -6.735 547 H SER 70 H SER 70 5.055 0.381 -10.210 548 HA SER 70 HA SER 70 7.697 -0.337 -10.083 549 HB2 SER 70 HB2 SER 70 6.327 0.225 -12.686 550 HB3 SER 70 HB3 SER 70 7.538 -1.007 -12.308 551 HG SER 70 HG SER 70 5.979 -2.262 -11.890 552 H ASN 71 H ASN 71 6.470 2.761 -11.206 553 HA ASN 71 HA ASN 71 8.823 3.675 -12.610 554 HB2 ASN 71 HB2 ASN 71 6.565 5.146 -11.185 555 HB3 ASN 71 HB3 ASN 71 7.973 6.019 -11.757 556 HD21 ASN 71 HD21 ASN 71 5.082 6.153 -12.708 557 HD22 ASN 71 HD22 ASN 71 5.211 5.804 -14.422 558 H ASN 72 H ASN 72 8.187 3.275 -9.210 559 HA ASN 72 HA ASN 72 10.714 4.703 -8.529 560 HB2 ASN 72 HB2 ASN 72 8.081 4.530 -7.016 561 HB3 ASN 72 HB3 ASN 72 9.595 5.132 -6.323 562 HD21 ASN 72 HD21 ASN 72 6.907 5.980 -8.458 563 HD22 ASN 72 HD22 ASN 72 7.548 7.604 -8.797 564 H ALA 73 H ALA 73 9.218 1.641 -8.596 565 HA ALA 73 HA ALA 73 9.769 0.266 -6.383 566 HB1 ALA 73 HB1 ALA 73 8.623 -0.723 -8.207 567 HB2 ALA 73 HB2 ALA 73 10.054 -0.582 -9.279 568 HB3 ALA 73 HB3 ALA 73 10.068 -1.697 -7.909 569 H ASP 74 H ASP 74 12.179 1.342 -8.703 570 HA ASP 74 HA ASP 74 14.359 -0.309 -7.934 571 HB2 ASP 74 HB2 ASP 74 14.011 1.114 -10.009 572 HB3 ASP 74 HB3 ASP 74 14.462 2.523 -9.053 573 H LYS 75 H LYS 75 13.877 3.170 -7.159 574 HA LYS 75 HA LYS 75 15.706 3.127 -4.963 575 HB2 LYS 75 HB2 LYS 75 13.470 5.163 -4.990 576 HB3 LYS 75 HB3 LYS 75 15.137 5.304 -4.481 577 HG2 LYS 75 HG2 LYS 75 15.321 6.469 -6.411 578 HG3 LYS 75 HG3 LYS 75 15.622 4.874 -7.095 579 HD2 LYS 75 HD2 LYS 75 13.935 5.406 -8.522 580 HD3 LYS 75 HD3 LYS 75 12.828 5.028 -7.188 581 HE2 LYS 75 HE2 LYS 75 12.738 7.398 -6.525 582 HE3 LYS 75 HE3 LYS 75 14.137 7.767 -7.544 583 HZ1 LYS 75 HZ1 LYS 75 12.341 8.566 -8.657 584 HZ2 LYS 75 HZ2 LYS 75 11.398 7.267 -8.474 585 HZ3 LYS 75 HZ3 LYS 75 12.726 7.223 -9.492 586 H LEU 76 H LEU 76 12.208 2.780 -5.192 587 HA LEU 76 HA LEU 76 11.621 2.810 -2.409 588 HB2 LEU 76 HB2 LEU 76 10.230 1.444 -4.704 589 HB3 LEU 76 HB3 LEU 76 9.672 1.232 -3.058 590 HG LEU 76 HG LEU 76 9.875 3.950 -4.396 591 HD11 LEU 76 HD11 LEU 76 8.192 2.427 -5.490 592 HD12 LEU 76 HD12 LEU 76 7.428 3.786 -4.646 593 HD13 LEU 76 HD13 LEU 76 7.443 2.182 -3.903 594 HD21 LEU 76 HD21 LEU 76 8.554 2.999 -1.813 595 HD22 LEU 76 HD22 LEU 76 8.298 4.585 -2.533 596 HD23 LEU 76 HD23 LEU 76 9.908 4.154 -1.955 597 H ALA 77 H ALA 77 12.654 0.023 -4.515 598 HA ALA 77 HA ALA 77 12.427 -1.998 -2.536 599 HB1 ALA 77 HB1 ALA 77 14.561 -1.720 -4.687 600 HB2 ALA 77 HB2 ALA 77 14.237 -3.174 -3.726 601 HB3 ALA 77 HB3 ALA 77 12.988 -2.553 -4.815 602 H ALA 78 H ALA 78 15.105 0.313 -3.098 603 HA ALA 78 HA ALA 78 16.788 -0.674 -0.990 604 HB1 ALA 78 HB1 ALA 78 18.089 1.374 -1.448 605 HB2 ALA 78 HB2 ALA 78 17.690 0.490 -2.937 606 HB3 ALA 78 HB3 ALA 78 16.802 1.962 -2.511 607 H ILE 79 H ILE 79 14.584 2.175 -1.194 608 HA ILE 79 HA ILE 79 15.139 3.190 1.411 609 HB ILE 79 HB ILE 79 12.585 3.344 -0.219 610 HG12 ILE 79 HG12 ILE 79 14.438 5.659 0.246 611 HG13 ILE 79 HG13 ILE 79 14.706 4.548 -1.092 612 HG21 ILE 79 HG21 ILE 79 11.977 3.749 2.123 613 HG22 ILE 79 HG22 ILE 79 13.400 4.790 2.347 614 HG23 ILE 79 HG23 ILE 79 12.059 5.335 1.340 615 HD11 ILE 79 HD11 ILE 79 12.113 6.161 -0.667 616 HD12 ILE 79 HD12 ILE 79 13.403 6.506 -1.837 617 HD13 ILE 79 HD13 ILE 79 12.443 5.022 -1.987 618 H ALA 80 H ALA 80 12.835 0.665 0.326 619 HA ALA 80 HA ALA 80 11.676 0.191 2.899 620 HB1 ALA 80 HB1 ALA 80 10.764 -1.840 1.811 621 HB2 ALA 80 HB2 ALA 80 10.527 -0.439 0.750 622 HB3 ALA 80 HB3 ALA 80 11.835 -1.585 0.422 623 H ALA 81 H ALA 81 14.391 -1.299 1.057 624 HA ALA 81 HA ALA 81 14.949 -3.447 2.646 625 HB1 ALA 81 HB1 ALA 81 17.063 -1.656 1.403 626 HB2 ALA 81 HB2 ALA 81 17.227 -3.371 1.793 627 HB3 ALA 81 HB3 ALA 81 16.151 -2.828 0.493 628 HA PRO 82 HA PRO 82 16.645 -4.630 3.705 629 HB2 PRO 82 HB2 PRO 82 17.168 -5.716 6.150 630 HB3 PRO 82 HB3 PRO 82 18.388 -4.868 5.149 631 HG2 PRO 82 HG2 PRO 82 16.842 -3.805 7.526 632 HG3 PRO 82 HG3 PRO 82 18.545 -3.555 7.104 633 HD2 PRO 82 HD2 PRO 82 16.554 -1.727 6.556 634 HD3 PRO 82 HD3 PRO 82 18.065 -1.859 5.612 635 H ALA 83 H ALA 83 14.531 -5.163 3.102 636 HA ALA 83 HA ALA 83 12.776 -6.659 4.664 637 HB1 ALA 83 HB1 ALA 83 12.077 -4.492 5.723 638 HB2 ALA 83 HB2 ALA 83 11.809 -3.828 4.095 639 HB3 ALA 83 HB3 ALA 83 10.806 -5.159 4.667 640 H GLU 84 H GLU 84 10.994 -7.299 3.357 641 HA GLU 84 HA GLU 84 11.584 -7.276 0.469 642 HB2 GLU 84 HB2 GLU 84 9.563 -8.814 2.131 643 HB3 GLU 84 HB3 GLU 84 9.581 -8.857 0.385 644 HG2 GLU 84 HG2 GLU 84 10.754 -10.772 1.044 645 HG3 GLU 84 HG3 GLU 84 11.946 -9.635 0.414 646 H ILE 85 H ILE 85 9.954 -6.781 -1.161 647 HA ILE 85 HA ILE 85 7.788 -5.012 -0.343 648 HB ILE 85 HB ILE 85 8.536 -3.660 -2.446 649 HG12 ILE 85 HG12 ILE 85 10.489 -5.306 -2.897 650 HG13 ILE 85 HG13 ILE 85 10.731 -3.588 -3.094 651 HG21 ILE 85 HG21 ILE 85 8.337 -2.698 -0.245 652 HG22 ILE 85 HG22 ILE 85 9.837 -3.425 0.297 653 HG23 ILE 85 HG23 ILE 85 9.854 -2.151 -0.954 654 HD11 ILE 85 HD11 ILE 85 12.640 -4.668 -2.003 655 HD12 ILE 85 HD12 ILE 85 11.909 -3.430 -0.963 656 HD13 ILE 85 HD13 ILE 85 11.608 -5.123 -0.621 657 H PHE 86 H PHE 86 5.979 -5.152 -1.710 658 HA PHE 86 HA PHE 86 6.114 -6.824 -4.144 659 HB2 PHE 86 HB2 PHE 86 3.978 -7.032 -2.001 660 HB3 PHE 86 HB3 PHE 86 3.938 -7.886 -3.550 661 HD1 PHE 86 HD1 PHE 86 5.834 -7.577 -0.378 662 HD2 PHE 86 HD2 PHE 86 4.831 -10.062 -3.715 663 HE1 PHE 86 HE1 PHE 86 7.091 -9.481 0.673 664 HE2 PHE 86 HE2 PHE 86 5.986 -11.977 -2.644 665 HZ PHE 86 HZ PHE 86 7.123 -11.674 -0.466 666 H LEU 87 H LEU 87 4.336 -6.360 -5.587 667 HA LEU 87 HA LEU 87 3.201 -3.615 -5.275 668 HB2 LEU 87 HB2 LEU 87 3.825 -5.233 -7.792 669 HB3 LEU 87 HB3 LEU 87 3.030 -3.656 -7.759 670 HG LEU 87 HG LEU 87 5.901 -4.233 -6.912 671 HD11 LEU 87 HD11 LEU 87 6.500 -2.905 -8.880 672 HD12 LEU 87 HD12 LEU 87 4.784 -2.609 -9.240 673 HD13 LEU 87 HD13 LEU 87 5.445 -4.241 -9.380 674 HD21 LEU 87 HD21 LEU 87 5.388 -2.469 -5.512 675 HD22 LEU 87 HD22 LEU 87 4.139 -1.831 -6.562 676 HD23 LEU 87 HD23 LEU 87 5.846 -1.572 -6.984 677 H LEU 88 H LEU 88 1.070 -3.339 -5.740 678 HA LEU 88 HA LEU 88 -0.635 -5.740 -6.153 679 HB2 LEU 88 HB2 LEU 88 -0.401 -4.461 -3.770 680 HB3 LEU 88 HB3 LEU 88 -1.559 -3.379 -4.528 681 HG LEU 88 HG LEU 88 -1.853 -6.369 -4.025 682 HD11 LEU 88 HD11 LEU 88 -3.319 -3.962 -2.864 683 HD12 LEU 88 HD12 LEU 88 -2.057 -4.899 -2.035 684 HD13 LEU 88 HD13 LEU 88 -3.612 -5.653 -2.450 685 HD21 LEU 88 HD21 LEU 88 -4.237 -6.089 -4.700 686 HD22 LEU 88 HD22 LEU 88 -3.117 -5.954 -6.047 687 HD23 LEU 88 HD23 LEU 88 -3.845 -4.484 -5.337 688 H GLU 89 H GLU 89 -2.218 -5.363 -7.809 689 HA GLU 89 HA GLU 89 -2.091 -2.755 -9.141 690 HB2 GLU 89 HB2 GLU 89 -1.285 -4.905 -10.283 691 HB3 GLU 89 HB3 GLU 89 -2.950 -5.456 -10.275 692 HG2 GLU 89 HG2 GLU 89 -2.182 -4.449 -12.435 693 HG3 GLU 89 HG3 GLU 89 -3.603 -3.659 -11.818 694 H ASP 90 H ASP 90 -4.504 -3.756 -10.514 695 HA ASP 90 HA ASP 90 -6.618 -3.135 -10.725 696 HB2 ASP 90 HB2 ASP 90 -6.818 -4.889 -8.275 697 HB3 ASP 90 HB3 ASP 90 -8.180 -4.404 -9.300 698 H GLY 91 H GLY 91 -5.080 -1.658 -8.257 699 HA2 GLY 91 HA2 GLY 91 -5.388 0.398 -7.288 700 HA3 GLY 91 HA3 GLY 91 -6.873 0.594 -8.245 701 H ILE 92 H ILE 92 -7.094 1.562 -5.851 702 HA ILE 92 HA ILE 92 -7.829 -0.283 -3.786 703 HB ILE 92 HB ILE 92 -7.165 2.170 -3.707 704 HG12 ILE 92 HG12 ILE 92 -7.701 0.822 -1.747 705 HG13 ILE 92 HG13 ILE 92 -8.044 2.516 -1.566 706 HG21 ILE 92 HG21 ILE 92 -10.112 2.655 -4.216 707 HG22 ILE 92 HG22 ILE 92 -8.947 3.854 -3.662 708 HG23 ILE 92 HG23 ILE 92 -8.748 3.122 -5.250 709 HD11 ILE 92 HD11 ILE 92 -10.527 1.849 -2.145 710 HD12 ILE 92 HD12 ILE 92 -9.962 0.229 -1.661 711 HD13 ILE 92 HD13 ILE 92 -9.832 1.592 -0.536 712 H ASP 93 H ASP 93 -9.479 0.887 -6.643 713 HA ASP 93 HA ASP 93 -12.164 0.355 -5.802 714 HB2 ASP 93 HB2 ASP 93 -11.472 1.630 -7.910 715 HB3 ASP 93 HB3 ASP 93 -11.112 0.064 -8.649 716 H GLY 94 H GLY 94 -9.662 -1.635 -7.499 717 HA2 GLY 94 HA2 GLY 94 -11.019 -4.055 -7.682 718 HA3 GLY 94 HA3 GLY 94 -9.265 -3.845 -7.515 719 H TRP 95 H TRP 95 -9.135 -2.678 -4.955 720 HA TRP 95 HA TRP 95 -9.132 -4.902 -3.204 721 HB2 TRP 95 HB2 TRP 95 -7.805 -2.864 -2.885 722 HB3 TRP 95 HB3 TRP 95 -9.249 -1.951 -2.504 723 HD1 TRP 95 HD1 TRP 95 -10.502 -2.478 -0.196 724 HE1 TRP 95 HE1 TRP 95 -9.620 -3.274 2.030 725 HE3 TRP 95 HE3 TRP 95 -6.083 -4.355 -1.819 726 HZ2 TRP 95 HZ2 TRP 95 -7.311 -4.843 2.984 727 HZ3 TRP 95 HZ3 TRP 95 -4.505 -5.494 -0.224 728 HH2 TRP 95 HH2 TRP 95 -5.126 -5.740 2.175 729 H LYS 96 H LYS 96 -11.494 -2.184 -3.478 730 HA LYS 96 HA LYS 96 -13.358 -3.291 -1.558 731 HB2 LYS 96 HB2 LYS 96 -13.726 -1.254 -3.808 732 HB3 LYS 96 HB3 LYS 96 -15.039 -1.756 -2.735 733 HG2 LYS 96 HG2 LYS 96 -13.808 -0.971 -0.765 734 HG3 LYS 96 HG3 LYS 96 -12.413 -0.562 -1.769 735 HD2 LYS 96 HD2 LYS 96 -13.599 1.481 -1.299 736 HD3 LYS 96 HD3 LYS 96 -13.760 1.096 -3.001 737 HE2 LYS 96 HE2 LYS 96 -15.865 1.922 -2.222 738 HE3 LYS 96 HE3 LYS 96 -16.076 0.205 -2.577 739 HZ1 LYS 96 HZ1 LYS 96 -15.547 1.149 0.174 740 HZ2 LYS 96 HZ2 LYS 96 -16.255 -0.260 -0.287 741 HZ3 LYS 96 HZ3 LYS 96 -17.028 1.168 -0.436 742 H LYS 97 H LYS 97 -13.088 -3.646 -5.144 743 HA LYS 97 HA LYS 97 -15.554 -5.111 -5.361 744 HB2 LYS 97 HB2 LYS 97 -13.134 -5.356 -7.179 745 HB3 LYS 97 HB3 LYS 97 -14.768 -5.917 -7.513 746 HG2 LYS 97 HG2 LYS 97 -13.699 -3.118 -7.564 747 HG3 LYS 97 HG3 LYS 97 -14.629 -3.969 -8.758 748 HD2 LYS 97 HD2 LYS 97 -16.663 -3.730 -7.493 749 HD3 LYS 97 HD3 LYS 97 -15.805 -3.016 -6.103 750 HE2 LYS 97 HE2 LYS 97 -15.150 -1.072 -7.378 751 HE3 LYS 97 HE3 LYS 97 -15.779 -1.780 -8.865 752 HZ1 LYS 97 HZ1 LYS 97 -17.403 -0.311 -8.115 753 HZ2 LYS 97 HZ2 LYS 97 -17.363 -0.819 -6.562 754 HZ3 LYS 97 HZ3 LYS 97 -17.979 -1.789 -7.766 755 H ALA 98 H ALA 98 -12.308 -6.129 -4.374 756 HA ALA 98 HA ALA 98 -12.841 -8.949 -4.556 757 HB1 ALA 98 HB1 ALA 98 -10.538 -7.959 -4.373 758 HB2 ALA 98 HB2 ALA 98 -10.888 -7.484 -2.698 759 HB3 ALA 98 HB3 ALA 98 -10.853 -9.189 -3.138 760 H GLY 99 H GLY 99 -13.917 -6.486 -2.320 761 HA2 GLY 99 HA2 GLY 99 -15.703 -6.813 -0.823 762 HA3 GLY 99 HA3 GLY 99 -15.225 -8.499 -0.587 763 H LEU 100 H LEU 100 -12.410 -6.722 -0.581 764 HA LEU 100 HA LEU 100 -12.014 -7.138 2.211 765 HB2 LEU 100 HB2 LEU 100 -10.398 -5.586 0.185 766 HB3 LEU 100 HB3 LEU 100 -9.834 -5.975 1.794 767 HG LEU 100 HG LEU 100 -10.542 -8.061 -0.321 768 HD11 LEU 100 HD11 LEU 100 -7.845 -7.082 0.685 769 HD12 LEU 100 HD12 LEU 100 -8.529 -6.778 -0.922 770 HD13 LEU 100 HD13 LEU 100 -8.109 -8.433 -0.441 771 HD21 LEU 100 HD21 LEU 100 -9.407 -8.240 2.495 772 HD22 LEU 100 HD22 LEU 100 -9.268 -9.559 1.312 773 HD23 LEU 100 HD23 LEU 100 -10.850 -9.013 1.889 774 HA PRO 101 HA PRO 101 -13.672 -3.458 3.857 775 HB2 PRO 101 HB2 PRO 101 -12.223 -3.064 6.150 776 HB3 PRO 101 HB3 PRO 101 -13.286 -4.485 5.923 777 HG2 PRO 101 HG2 PRO 101 -10.293 -4.318 5.452 778 HG3 PRO 101 HG3 PRO 101 -11.206 -5.530 6.415 779 HD2 PRO 101 HD2 PRO 101 -10.500 -5.986 3.804 780 HD3 PRO 101 HD3 PRO 101 -12.059 -6.570 4.467 781 H VAL 102 H VAL 102 -13.449 -1.235 4.314 782 HA VAL 102 HA VAL 102 -10.905 0.111 3.747 783 HB VAL 102 HB VAL 102 -12.218 1.775 2.369 784 HG11 VAL 102 HG11 VAL 102 -10.446 0.348 1.455 785 HG12 VAL 102 HG12 VAL 102 -11.642 -0.924 1.109 786 HG13 VAL 102 HG13 VAL 102 -11.745 0.653 0.290 787 HG21 VAL 102 HG21 VAL 102 -14.500 0.776 2.751 788 HG22 VAL 102 HG22 VAL 102 -14.041 1.107 1.068 789 HG23 VAL 102 HG23 VAL 102 -14.019 -0.567 1.693 790 H ALA 103 H ALA 103 -10.953 2.314 4.415 791 HA ALA 103 HA ALA 103 -12.724 2.905 6.720 792 HB1 ALA 103 HB1 ALA 103 -10.323 2.727 7.216 793 HB2 ALA 103 HB2 ALA 103 -9.945 3.844 5.884 794 HB3 ALA 103 HB3 ALA 103 -10.821 4.433 7.311 795 H VAL 104 H VAL 104 -14.301 3.325 4.923 796 HA VAL 104 HA VAL 104 -13.872 5.826 3.391 797 HB VAL 104 HB VAL 104 -16.119 5.168 2.370 798 HG11 VAL 104 HG11 VAL 104 -15.139 3.405 0.932 799 HG12 VAL 104 HG12 VAL 104 -14.090 4.797 1.148 800 HG13 VAL 104 HG13 VAL 104 -13.744 3.315 2.044 801 HG21 VAL 104 HG21 VAL 104 -16.852 2.875 2.553 802 HG22 VAL 104 HG22 VAL 104 -15.586 2.504 3.734 803 HG23 VAL 104 HG23 VAL 104 -16.895 3.655 4.134 804 H ASN 105 H ASN 105 -16.012 7.101 3.229 805 HA ASN 105 HA ASN 105 -17.191 7.630 5.912 806 HB2 ASN 105 HB2 ASN 105 -15.307 9.206 5.346 807 HB3 ASN 105 HB3 ASN 105 -16.263 9.763 3.959 808 HD21 ASN 105 HD21 ASN 105 -16.986 11.870 4.613 809 HD22 ASN 105 HD22 ASN 105 -17.565 12.166 6.263 810 H LYS 106 H LYS 106 -18.214 6.112 3.574 811 HA LYS 106 HA LYS 106 -20.736 7.516 3.237 812 HB2 LYS 106 HB2 LYS 106 -19.192 8.060 1.211 813 HB3 LYS 106 HB3 LYS 106 -19.299 6.344 0.809 814 HG2 LYS 106 HG2 LYS 106 -21.854 6.652 0.711 815 HG3 LYS 106 HG3 LYS 106 -21.581 8.371 1.004 816 HD2 LYS 106 HD2 LYS 106 -21.952 8.075 -1.331 817 HD3 LYS 106 HD3 LYS 106 -20.217 8.407 -1.128 818 HE2 LYS 106 HE2 LYS 106 -19.677 6.044 -1.327 819 HE3 LYS 106 HE3 LYS 106 -21.393 5.606 -1.370 820 HZ1 LYS 106 HZ1 LYS 106 -21.624 6.597 -3.478 821 HZ2 LYS 106 HZ2 LYS 106 -20.210 5.731 -3.544 822 HZ3 LYS 106 HZ3 LYS 106 -20.159 7.350 -3.385 823 H SER 107 H SER 107 -22.389 5.986 2.568 824 HA SER 107 HA SER 107 -22.317 3.494 3.853 825 HB2 SER 107 HB2 SER 107 -24.221 5.243 3.100 826 HB3 SER 107 HB3 SER 107 -24.372 4.128 1.741 827 HG SER 107 HG SER 107 -24.806 3.802 4.486 828 H GLN 108 H GLN 108 -20.328 3.736 1.449 829 HA GLN 108 HA GLN 108 -20.854 1.095 0.318 830 HB2 GLN 108 HB2 GLN 108 -21.799 2.678 -1.353 831 HB3 GLN 108 HB3 GLN 108 -20.230 3.481 -1.479 832 HG2 GLN 108 HG2 GLN 108 -19.209 1.454 -2.364 833 HG3 GLN 108 HG3 GLN 108 -20.628 0.493 -1.943 834 HE21 GLN 108 HE21 GLN 108 -19.476 3.058 -4.174 835 HE22 GLN 108 HE22 GLN 108 -20.676 2.788 -5.389 Start of MODEL 5 1 H ALA 1 H ALA 1 13.139 -10.332 -2.143 2 HA ALA 1 HA ALA 1 12.517 -8.028 -2.333 3 HB1 ALA 1 HB1 ALA 1 14.036 -8.918 -4.803 4 HB2 ALA 1 HB2 ALA 1 14.091 -7.310 -4.046 5 HB3 ALA 1 HB3 ALA 1 14.733 -8.716 -3.181 6 H LEU 2 H LEU 2 12.476 -6.777 -5.060 7 HA LEU 2 HA LEU 2 9.845 -6.176 -5.412 8 HB2 LEU 2 HB2 LEU 2 12.035 -6.405 -7.499 9 HB3 LEU 2 HB3 LEU 2 10.477 -5.658 -7.820 10 HG LEU 2 HG LEU 2 12.444 -4.708 -5.698 11 HD11 LEU 2 HD11 LEU 2 13.312 -4.424 -7.955 12 HD12 LEU 2 HD12 LEU 2 12.828 -2.848 -7.290 13 HD13 LEU 2 HD13 LEU 2 11.803 -3.680 -8.486 14 HD21 LEU 2 HD21 LEU 2 10.237 -4.066 -5.008 15 HD22 LEU 2 HD22 LEU 2 9.759 -3.641 -6.666 16 HD23 LEU 2 HD23 LEU 2 10.924 -2.642 -5.774 17 H THR 3 H THR 3 8.266 -7.661 -5.402 18 HA THR 3 HA THR 3 8.064 -9.530 -7.712 19 HB THR 3 HB THR 3 7.440 -10.180 -4.804 20 HG1 THR 3 HG1 THR 3 9.588 -10.014 -5.170 21 HG21 THR 3 HG21 THR 3 6.122 -11.677 -6.296 22 HG22 THR 3 HG22 THR 3 7.536 -12.537 -5.649 23 HG23 THR 3 HG23 THR 3 7.606 -11.911 -7.294 24 H THR 4 H THR 4 5.660 -10.321 -7.817 25 HA THR 4 HA THR 4 3.765 -8.192 -7.056 26 HB THR 4 HB THR 4 2.842 -8.469 -9.367 27 HG1 THR 4 HG1 THR 4 5.400 -9.355 -10.159 28 HG21 THR 4 HG21 THR 4 4.443 -6.975 -10.503 29 HG22 THR 4 HG22 THR 4 5.651 -7.296 -9.246 30 HG23 THR 4 HG23 THR 4 4.139 -6.482 -8.832 31 H ILE 5 H ILE 5 1.661 -9.088 -6.579 32 HA ILE 5 HA ILE 5 1.359 -11.976 -6.936 33 HB ILE 5 HB ILE 5 1.042 -12.588 -4.799 34 HG12 ILE 5 HG12 ILE 5 -0.563 -11.071 -3.983 35 HG13 ILE 5 HG13 ILE 5 0.706 -11.282 -2.803 36 HG21 ILE 5 HG21 ILE 5 3.147 -10.440 -4.393 37 HG22 ILE 5 HG22 ILE 5 2.895 -11.867 -3.385 38 HG23 ILE 5 HG23 ILE 5 3.429 -12.077 -5.053 39 HD11 ILE 5 HD11 ILE 5 -0.070 -8.957 -2.965 40 HD12 ILE 5 HD12 ILE 5 1.650 -9.113 -3.362 41 HD13 ILE 5 HD13 ILE 5 0.442 -8.915 -4.666 42 H SER 6 H SER 6 -0.948 -12.635 -6.264 43 HA SER 6 HA SER 6 -2.767 -11.185 -7.839 44 HB2 SER 6 HB2 SER 6 -3.401 -13.147 -5.616 45 HB3 SER 6 HB3 SER 6 -4.356 -12.786 -7.070 46 HG SER 6 HG SER 6 -2.947 -13.817 -8.323 47 HA PRO 7 HA PRO 7 -4.138 -7.995 -5.168 48 HB2 PRO 7 HB2 PRO 7 -6.887 -7.823 -5.520 49 HB3 PRO 7 HB3 PRO 7 -5.657 -7.225 -6.669 50 HG2 PRO 7 HG2 PRO 7 -7.128 -9.863 -6.722 51 HG3 PRO 7 HG3 PRO 7 -6.831 -8.734 -8.081 52 HD2 PRO 7 HD2 PRO 7 -5.275 -10.931 -7.699 53 HD3 PRO 7 HD3 PRO 7 -4.544 -9.392 -8.217 54 H HIS 8 H HIS 8 -6.284 -10.918 -4.786 55 HA HIS 8 HA HIS 8 -7.128 -10.365 -2.186 56 HB2 HIS 8 HB2 HIS 8 -7.352 -12.920 -2.297 57 HB3 HIS 8 HB3 HIS 8 -8.286 -11.957 -3.431 58 HD1 HIS 8 HD1 HIS 8 -7.719 -12.304 -6.088 59 HD2 HIS 8 HD2 HIS 8 -5.497 -14.559 -3.273 60 HE1 HIS 8 HE1 HIS 8 -6.545 -14.094 -7.387 61 H ASP 9 H ASP 9 -4.348 -12.151 -3.421 62 HA ASP 9 HA ASP 9 -3.400 -13.202 -0.982 63 HB2 ASP 9 HB2 ASP 9 -2.357 -13.020 -3.680 64 HB3 ASP 9 HB3 ASP 9 -1.105 -12.593 -2.515 65 H ALA 10 H ALA 10 -3.057 -9.907 -2.271 66 HA ALA 10 HA ALA 10 -0.911 -9.044 -0.638 67 HB1 ALA 10 HB1 ALA 10 -1.791 -6.792 -0.914 68 HB2 ALA 10 HB2 ALA 10 -2.013 -7.668 -2.454 69 HB3 ALA 10 HB3 ALA 10 -3.383 -7.416 -1.348 70 H GLN 11 H GLN 11 -4.477 -9.019 0.064 71 HA GLN 11 HA GLN 11 -4.190 -8.036 2.691 72 HB2 GLN 11 HB2 GLN 11 -6.265 -8.278 1.030 73 HB3 GLN 11 HB3 GLN 11 -6.509 -9.793 1.876 74 HG2 GLN 11 HG2 GLN 11 -5.947 -7.324 3.561 75 HG3 GLN 11 HG3 GLN 11 -7.437 -7.388 2.667 76 HE21 GLN 11 HE21 GLN 11 -7.781 -7.256 5.273 77 HE22 GLN 11 HE22 GLN 11 -8.456 -8.758 5.874 78 H GLU 12 H GLU 12 -4.428 -11.294 1.353 79 HA GLU 12 HA GLU 12 -4.413 -12.821 3.733 80 HB2 GLU 12 HB2 GLU 12 -4.631 -13.504 1.185 81 HB3 GLU 12 HB3 GLU 12 -2.870 -13.573 1.229 82 HG2 GLU 12 HG2 GLU 12 -3.615 -15.740 1.567 83 HG3 GLU 12 HG3 GLU 12 -3.077 -15.192 3.157 84 H LEU 13 H LEU 13 -1.640 -11.257 2.021 85 HA LEU 13 HA LEU 13 0.319 -12.534 3.722 86 HB2 LEU 13 HB2 LEU 13 0.434 -10.027 2.022 87 HB3 LEU 13 HB3 LEU 13 1.833 -10.683 2.860 88 HG LEU 13 HG LEU 13 0.280 -12.390 0.890 89 HD11 LEU 13 HD11 LEU 13 0.978 -10.337 -0.292 90 HD12 LEU 13 HD12 LEU 13 1.894 -11.751 -0.832 91 HD13 LEU 13 HD13 LEU 13 2.650 -10.579 0.271 92 HD21 LEU 13 HD21 LEU 13 1.884 -13.490 2.469 93 HD22 LEU 13 HD22 LEU 13 3.178 -12.535 1.696 94 HD23 LEU 13 HD23 LEU 13 2.246 -13.703 0.748 95 H ILE 14 H ILE 14 -1.328 -9.360 3.762 96 HA ILE 14 HA ILE 14 -0.040 -8.333 6.084 97 HB ILE 14 HB ILE 14 -2.763 -7.741 4.903 98 HG12 ILE 14 HG12 ILE 14 -0.425 -5.835 4.735 99 HG13 ILE 14 HG13 ILE 14 -0.343 -7.243 3.704 100 HG21 ILE 14 HG21 ILE 14 -2.439 -5.517 6.085 101 HG22 ILE 14 HG22 ILE 14 -2.827 -6.889 7.145 102 HG23 ILE 14 HG23 ILE 14 -1.148 -6.284 7.005 103 HD11 ILE 14 HD11 ILE 14 -2.521 -6.744 2.727 104 HD12 ILE 14 HD12 ILE 14 -2.744 -5.360 3.820 105 HD13 ILE 14 HD13 ILE 14 -1.452 -5.345 2.566 106 H ALA 15 H ALA 15 -2.942 -10.390 5.723 107 HA ALA 15 HA ALA 15 -3.648 -10.429 8.489 108 HB1 ALA 15 HB1 ALA 15 -5.194 -11.069 6.659 109 HB2 ALA 15 HB2 ALA 15 -4.168 -12.470 6.270 110 HB3 ALA 15 HB3 ALA 15 -5.011 -12.396 7.829 111 H ARG 16 H ARG 16 -1.579 -12.554 6.451 112 HA ARG 16 HA ARG 16 -0.997 -14.397 8.567 113 HB2 ARG 16 HB2 ARG 16 0.480 -13.838 5.967 114 HB3 ARG 16 HB3 ARG 16 0.891 -15.131 7.088 115 HG2 ARG 16 HG2 ARG 16 -1.230 -16.246 6.748 116 HG3 ARG 16 HG3 ARG 16 -1.902 -14.897 5.899 117 HD2 ARG 16 HD2 ARG 16 -0.181 -15.085 4.131 118 HD3 ARG 16 HD3 ARG 16 0.561 -16.430 5.016 119 HE ARG 16 HE ARG 16 -2.121 -17.108 4.582 120 HH11 ARG 16 HH11 ARG 16 0.764 -16.470 2.564 121 HH12 ARG 16 HH12 ARG 16 0.047 -17.118 1.115 122 HH21 ARG 16 HH21 ARG 16 -2.932 -18.217 2.742 123 HH22 ARG 16 HH22 ARG 16 -2.014 -18.322 1.280 124 H GLY 17 H GLY 17 0.354 -11.270 7.759 125 HA2 GLY 17 HA2 GLY 17 1.482 -10.539 10.054 126 HA3 GLY 17 HA3 GLY 17 2.686 -11.721 9.552 127 H ALA 18 H ALA 18 1.261 -9.774 6.952 128 HA ALA 18 HA ALA 18 3.868 -8.379 6.663 129 HB1 ALA 18 HB1 ALA 18 1.619 -8.565 4.623 130 HB2 ALA 18 HB2 ALA 18 3.286 -8.063 4.359 131 HB3 ALA 18 HB3 ALA 18 2.935 -9.752 4.770 132 H LYS 19 H LYS 19 3.440 -6.125 5.399 133 HA LYS 19 HA LYS 19 1.504 -4.530 6.990 134 HB2 LYS 19 HB2 LYS 19 4.427 -4.440 6.737 135 HB3 LYS 19 HB3 LYS 19 3.753 -2.912 6.183 136 HG2 LYS 19 HG2 LYS 19 3.240 -4.220 8.888 137 HG3 LYS 19 HG3 LYS 19 4.420 -2.924 8.567 138 HD2 LYS 19 HD2 LYS 19 2.734 -1.359 7.979 139 HD3 LYS 19 HD3 LYS 19 1.498 -2.620 7.889 140 HE2 LYS 19 HE2 LYS 19 2.427 -2.826 10.513 141 HE3 LYS 19 HE3 LYS 19 2.412 -1.083 10.193 142 HZ1 LYS 19 HZ1 LYS 19 0.135 -2.942 9.841 143 HZ2 LYS 19 HZ2 LYS 19 0.136 -1.406 9.319 144 HZ3 LYS 19 HZ3 LYS 19 0.231 -1.715 10.933 145 H LEU 20 H LEU 20 0.942 -2.397 5.928 146 HA LEU 20 HA LEU 20 1.119 -2.431 2.965 147 HB2 LEU 20 HB2 LEU 20 -1.151 -3.311 4.150 148 HB3 LEU 20 HB3 LEU 20 -1.474 -1.630 4.254 149 HG LEU 20 HG LEU 20 -0.984 -3.121 1.617 150 HD11 LEU 20 HD11 LEU 20 -3.354 -2.582 1.237 151 HD12 LEU 20 HD12 LEU 20 -3.451 -1.769 2.810 152 HD13 LEU 20 HD13 LEU 20 -3.202 -3.506 2.737 153 HD21 LEU 20 HD21 LEU 20 -0.107 -0.937 1.309 154 HD22 LEU 20 HD22 LEU 20 -1.517 -0.171 2.102 155 HD23 LEU 20 HD23 LEU 20 -1.664 -1.024 0.554 156 H ILE 21 H ILE 21 1.832 -0.495 2.330 157 HA ILE 21 HA ILE 21 1.495 1.935 4.049 158 HB ILE 21 HB ILE 21 3.743 0.868 2.324 159 HG12 ILE 21 HG12 ILE 21 5.192 1.485 4.059 160 HG13 ILE 21 HG13 ILE 21 3.979 2.466 4.880 161 HG21 ILE 21 HG21 ILE 21 3.493 2.811 1.161 162 HG22 ILE 21 HG22 ILE 21 3.211 3.797 2.610 163 HG23 ILE 21 HG23 ILE 21 4.815 3.120 2.289 164 HD11 ILE 21 HD11 ILE 21 2.852 0.535 5.716 165 HD12 ILE 21 HD12 ILE 21 3.707 -0.555 4.591 166 HD13 ILE 21 HD13 ILE 21 4.572 0.175 5.913 167 H ASP 22 H ASP 22 0.783 3.811 2.888 168 HA ASP 22 HA ASP 22 -0.339 3.296 0.169 169 HB2 ASP 22 HB2 ASP 22 -2.055 3.697 1.890 170 HB3 ASP 22 HB3 ASP 22 -1.201 5.125 2.480 171 H ILE 23 H ILE 23 0.867 4.304 -1.339 172 HA ILE 23 HA ILE 23 2.634 6.516 -0.564 173 HB ILE 23 HB ILE 23 3.796 6.163 -2.643 174 HG12 ILE 23 HG12 ILE 23 1.765 3.990 -3.087 175 HG13 ILE 23 HG13 ILE 23 2.131 5.351 -4.113 176 HG21 ILE 23 HG21 ILE 23 3.721 3.569 -1.100 177 HG22 ILE 23 HG22 ILE 23 5.039 4.235 -2.041 178 HG23 ILE 23 HG23 ILE 23 4.530 5.035 -0.570 179 HD11 ILE 23 HD11 ILE 23 3.040 3.436 -5.173 180 HD12 ILE 23 HD12 ILE 23 4.427 4.284 -4.518 181 HD13 ILE 23 HD13 ILE 23 3.794 2.859 -3.675 182 H ARG 24 H ARG 24 -0.527 6.503 -1.503 183 HA ARG 24 HA ARG 24 -0.509 8.153 -3.847 184 HB2 ARG 24 HB2 ARG 24 -2.579 7.817 -1.657 185 HB3 ARG 24 HB3 ARG 24 -2.868 8.689 -3.167 186 HG2 ARG 24 HG2 ARG 24 -2.606 6.677 -4.492 187 HG3 ARG 24 HG3 ARG 24 -2.118 5.733 -3.085 188 HD2 ARG 24 HD2 ARG 24 -4.837 7.012 -3.577 189 HD3 ARG 24 HD3 ARG 24 -4.467 5.282 -3.601 190 HE ARG 24 HE ARG 24 -3.674 5.942 -1.099 191 HH11 ARG 24 HH11 ARG 24 -6.774 6.686 -2.763 192 HH12 ARG 24 HH12 ARG 24 -7.616 6.959 -1.286 193 HH21 ARG 24 HH21 ARG 24 -4.722 6.555 0.736 194 HH22 ARG 24 HH22 ARG 24 -6.392 7.124 0.743 195 H ASP 25 H ASP 25 -1.963 9.527 -0.895 196 HA ASP 25 HA ASP 25 -0.148 11.797 -0.716 197 HB2 ASP 25 HB2 ASP 25 -2.985 11.906 -1.809 198 HB3 ASP 25 HB3 ASP 25 -2.403 13.213 -0.798 199 H ALA 26 H ALA 26 -0.799 12.989 1.363 200 HA ALA 26 HA ALA 26 -1.683 11.053 3.336 201 HB1 ALA 26 HB1 ALA 26 -1.321 12.816 4.946 202 HB2 ALA 26 HB2 ALA 26 0.011 12.841 3.771 203 HB3 ALA 26 HB3 ALA 26 -1.297 14.053 3.674 204 H ASP 27 H ASP 27 -3.159 13.925 1.799 205 HA ASP 27 HA ASP 27 -5.492 13.944 3.449 206 HB2 ASP 27 HB2 ASP 27 -5.096 15.018 0.638 207 HB3 ASP 27 HB3 ASP 27 -6.472 15.360 1.685 208 H GLU 28 H GLU 28 -4.611 12.101 0.530 209 HA GLU 28 HA GLU 28 -7.215 11.112 -0.076 210 HB2 GLU 28 HB2 GLU 28 -4.359 10.198 -0.613 211 HB3 GLU 28 HB3 GLU 28 -5.714 9.211 -1.110 212 HG2 GLU 28 HG2 GLU 28 -5.382 12.121 -1.930 213 HG3 GLU 28 HG3 GLU 28 -4.804 10.754 -2.868 214 H TYR 29 H TYR 29 -4.878 10.282 2.442 215 HA TYR 29 HA TYR 29 -6.113 7.686 3.007 216 HB2 TYR 29 HB2 TYR 29 -3.710 8.008 3.330 217 HB3 TYR 29 HB3 TYR 29 -4.013 9.279 4.514 218 HD1 TYR 29 HD1 TYR 29 -4.750 8.748 6.803 219 HD2 TYR 29 HD2 TYR 29 -4.183 5.691 3.846 220 HE1 TYR 29 HE1 TYR 29 -4.850 7.039 8.582 221 HE2 TYR 29 HE2 TYR 29 -4.385 3.927 5.642 222 HH TYR 29 HH TYR 29 -4.308 3.568 7.929 223 H LEU 30 H LEU 30 -6.077 10.990 4.304 224 HA LEU 30 HA LEU 30 -7.548 10.541 6.689 225 HB2 LEU 30 HB2 LEU 30 -6.908 12.938 4.986 226 HB3 LEU 30 HB3 LEU 30 -8.283 13.074 6.064 227 HG LEU 30 HG LEU 30 -6.879 12.385 7.994 228 HD11 LEU 30 HD11 LEU 30 -4.418 12.557 7.819 229 HD12 LEU 30 HD12 LEU 30 -4.547 12.790 6.076 230 HD13 LEU 30 HD13 LEU 30 -5.016 11.238 6.787 231 HD21 LEU 30 HD21 LEU 30 -5.969 14.855 6.455 232 HD22 LEU 30 HD22 LEU 30 -5.795 14.584 8.203 233 HD23 LEU 30 HD23 LEU 30 -7.404 14.733 7.500 234 H ARG 31 H ARG 31 -8.757 10.983 3.379 235 HA ARG 31 HA ARG 31 -11.508 11.494 4.115 236 HB2 ARG 31 HB2 ARG 31 -10.313 10.327 1.563 237 HB3 ARG 31 HB3 ARG 31 -12.027 10.706 1.793 238 HG2 ARG 31 HG2 ARG 31 -11.355 13.067 2.397 239 HG3 ARG 31 HG3 ARG 31 -9.704 12.666 1.884 240 HD2 ARG 31 HD2 ARG 31 -10.645 11.984 -0.353 241 HD3 ARG 31 HD3 ARG 31 -12.238 12.544 0.208 242 HE ARG 31 HE ARG 31 -10.050 14.487 0.424 243 HH11 ARG 31 HH11 ARG 31 -12.550 13.325 -1.858 244 HH12 ARG 31 HH12 ARG 31 -12.637 14.857 -2.665 245 HH21 ARG 31 HH21 ARG 31 -10.194 16.404 -0.664 246 HH22 ARG 31 HH22 ARG 31 -11.291 16.638 -2.002 247 H GLU 32 H GLU 32 -10.263 8.481 2.615 248 HA GLU 32 HA GLU 32 -11.164 6.745 4.689 249 HB2 GLU 32 HB2 GLU 32 -12.699 5.447 3.262 250 HB3 GLU 32 HB3 GLU 32 -13.375 6.947 3.823 251 HG2 GLU 32 HG2 GLU 32 -12.222 6.591 1.029 252 HG3 GLU 32 HG3 GLU 32 -13.886 6.216 1.437 253 H HIS 33 H HIS 33 -9.941 4.882 4.504 254 HA HIS 33 HA HIS 33 -8.797 4.119 1.953 255 HB2 HIS 33 HB2 HIS 33 -7.278 5.920 2.822 256 HB3 HIS 33 HB3 HIS 33 -6.949 4.912 4.242 257 HD1 HIS 33 HD1 HIS 33 -4.742 3.521 3.840 258 HD2 HIS 33 HD2 HIS 33 -7.040 4.221 0.368 259 HE1 HIS 33 HE1 HIS 33 -3.716 2.109 1.961 260 H ILE 34 H ILE 34 -6.791 2.396 3.251 261 HA ILE 34 HA ILE 34 -8.591 0.252 4.097 262 HB ILE 34 HB ILE 34 -5.594 0.315 3.561 263 HG12 ILE 34 HG12 ILE 34 -7.877 -0.639 1.756 264 HG13 ILE 34 HG13 ILE 34 -6.974 0.859 1.531 265 HG21 ILE 34 HG21 ILE 34 -6.379 -1.590 5.054 266 HG22 ILE 34 HG22 ILE 34 -7.462 -2.084 3.766 267 HG23 ILE 34 HG23 ILE 34 -5.703 -2.136 3.544 268 HD11 ILE 34 HD11 ILE 34 -4.875 -0.421 1.388 269 HD12 ILE 34 HD12 ILE 34 -5.805 -1.914 1.409 270 HD13 ILE 34 HD13 ILE 34 -6.028 -0.786 0.071 271 HA PRO 35 HA PRO 35 -7.457 1.095 8.407 272 HB2 PRO 35 HB2 PRO 35 -8.394 -1.216 9.558 273 HB3 PRO 35 HB3 PRO 35 -9.487 0.082 8.955 274 HG2 PRO 35 HG2 PRO 35 -8.633 -2.479 7.554 275 HG3 PRO 35 HG3 PRO 35 -10.295 -1.809 7.715 276 HD2 PRO 35 HD2 PRO 35 -8.760 -1.475 5.498 277 HD3 PRO 35 HD3 PRO 35 -9.814 -0.174 6.042 278 H GLU 36 H GLU 36 -6.611 -1.967 6.828 279 HA GLU 36 HA GLU 36 -4.588 -2.781 8.703 280 HB2 GLU 36 HB2 GLU 36 -5.260 -3.702 5.861 281 HB3 GLU 36 HB3 GLU 36 -4.080 -4.461 6.922 282 HG2 GLU 36 HG2 GLU 36 -5.705 -4.955 8.627 283 HG3 GLU 36 HG3 GLU 36 -6.969 -4.073 7.781 284 H ALA 37 H ALA 37 -4.580 -0.223 6.485 285 HA ALA 37 HA ALA 37 -1.691 -0.442 5.968 286 HB1 ALA 37 HB1 ALA 37 -3.685 1.546 4.801 287 HB2 ALA 37 HB2 ALA 37 -1.987 1.333 4.315 288 HB3 ALA 37 HB3 ALA 37 -3.170 0.055 3.980 289 H ASP 38 H ASP 38 -0.501 1.860 6.111 290 HA ASP 38 HA ASP 38 -1.589 3.306 8.458 291 HB2 ASP 38 HB2 ASP 38 0.459 1.677 8.822 292 HB3 ASP 38 HB3 ASP 38 1.375 2.973 8.086 293 H LEU 39 H LEU 39 1.279 4.419 6.985 294 HA LEU 39 HA LEU 39 0.134 5.702 4.643 295 HB2 LEU 39 HB2 LEU 39 -1.092 7.015 6.359 296 HB3 LEU 39 HB3 LEU 39 0.414 7.354 7.199 297 HG LEU 39 HG LEU 39 1.182 8.723 5.304 298 HD11 LEU 39 HD11 LEU 39 0.012 7.592 3.408 299 HD12 LEU 39 HD12 LEU 39 -0.394 9.298 3.451 300 HD13 LEU 39 HD13 LEU 39 -1.541 8.099 4.074 301 HD21 LEU 39 HD21 LEU 39 -0.074 9.761 7.122 302 HD22 LEU 39 HD22 LEU 39 -1.596 9.470 6.251 303 HD23 LEU 39 HD23 LEU 39 -0.387 10.579 5.571 304 H ALA 40 H ALA 40 1.821 6.538 3.347 305 HA ALA 40 HA ALA 40 4.193 7.751 4.290 306 HB1 ALA 40 HB1 ALA 40 5.484 6.012 4.778 307 HB2 ALA 40 HB2 ALA 40 4.309 4.824 4.211 308 HB3 ALA 40 HB3 ALA 40 5.491 5.561 3.081 309 HA PRO 41 HA PRO 41 2.413 8.385 0.048 310 HB2 PRO 41 HB2 PRO 41 2.623 11.108 -0.066 311 HB3 PRO 41 HB3 PRO 41 1.245 10.204 0.649 312 HG2 PRO 41 HG2 PRO 41 3.607 11.430 2.056 313 HG3 PRO 41 HG3 PRO 41 1.878 11.500 2.523 314 HD2 PRO 41 HD2 PRO 41 3.657 9.753 3.645 315 HD3 PRO 41 HD3 PRO 41 1.951 9.299 3.385 316 H LEU 42 H LEU 42 3.535 8.735 -1.912 317 HA LEU 42 HA LEU 42 6.229 8.191 -1.884 318 HB2 LEU 42 HB2 LEU 42 4.329 8.434 -3.867 319 HB3 LEU 42 HB3 LEU 42 5.318 9.815 -4.206 320 HG LEU 42 HG LEU 42 6.407 8.342 -5.531 321 HD11 LEU 42 HD11 LEU 42 7.816 7.330 -3.033 322 HD12 LEU 42 HD12 LEU 42 8.103 8.903 -3.785 323 HD13 LEU 42 HD13 LEU 42 8.421 7.427 -4.695 324 HD21 LEU 42 HD21 LEU 42 4.831 6.522 -4.999 325 HD22 LEU 42 HD22 LEU 42 5.849 6.068 -3.612 326 HD23 LEU 42 HD23 LEU 42 6.498 5.947 -5.267 327 H SER 43 H SER 43 4.699 11.432 -2.145 328 HA SER 43 HA SER 43 7.002 12.914 -2.631 329 HB2 SER 43 HB2 SER 43 4.617 13.766 -0.931 330 HB3 SER 43 HB3 SER 43 5.694 14.804 -1.887 331 HG SER 43 HG SER 43 3.559 14.020 -2.835 332 H VAL 44 H VAL 44 5.987 11.464 0.486 333 HA VAL 44 HA VAL 44 8.053 13.049 1.894 334 HB VAL 44 HB VAL 44 6.129 10.905 2.876 335 HG11 VAL 44 HG11 VAL 44 8.153 12.592 4.421 336 HG12 VAL 44 HG12 VAL 44 6.842 11.654 5.162 337 HG13 VAL 44 HG13 VAL 44 8.126 10.818 4.294 338 HG21 VAL 44 HG21 VAL 44 5.039 12.790 4.017 339 HG22 VAL 44 HG22 VAL 44 6.248 13.920 3.369 340 HG23 VAL 44 HG23 VAL 44 5.109 13.116 2.278 341 H LEU 45 H LEU 45 7.521 9.776 0.616 342 HA LEU 45 HA LEU 45 9.862 8.616 1.772 343 HB2 LEU 45 HB2 LEU 45 7.867 7.823 -0.322 344 HB3 LEU 45 HB3 LEU 45 9.419 6.991 -0.296 345 HG LEU 45 HG LEU 45 9.099 6.357 2.064 346 HD11 LEU 45 HD11 LEU 45 7.845 8.289 2.887 347 HD12 LEU 45 HD12 LEU 45 7.226 6.754 3.366 348 HD13 LEU 45 HD13 LEU 45 6.413 7.663 2.049 349 HD21 LEU 45 HD21 LEU 45 6.708 5.637 0.392 350 HD22 LEU 45 HD22 LEU 45 7.387 4.724 1.767 351 HD23 LEU 45 HD23 LEU 45 8.338 4.907 0.282 352 H GLU 46 H GLU 46 9.321 9.849 -1.589 353 HA GLU 46 HA GLU 46 11.974 9.444 -2.474 354 HB2 GLU 46 HB2 GLU 46 9.619 11.145 -3.256 355 HB3 GLU 46 HB3 GLU 46 11.169 11.672 -3.867 356 HG2 GLU 46 HG2 GLU 46 10.635 8.741 -4.137 357 HG3 GLU 46 HG3 GLU 46 9.560 9.771 -5.008 358 H GLN 47 H GLN 47 10.825 11.657 -0.202 359 HA GLN 47 HA GLN 47 13.178 13.441 -0.471 360 HB2 GLN 47 HB2 GLN 47 10.525 13.831 0.983 361 HB3 GLN 47 HB3 GLN 47 11.926 14.924 1.118 362 HG2 GLN 47 HG2 GLN 47 11.941 15.164 -1.375 363 HG3 GLN 47 HG3 GLN 47 10.468 14.207 -1.459 364 HE21 GLN 47 HE21 GLN 47 8.490 15.247 -0.891 365 HE22 GLN 47 HE22 GLN 47 8.403 17.014 -0.711 366 H SER 48 H SER 48 11.434 12.700 2.490 367 HA SER 48 HA SER 48 13.829 12.288 3.962 368 HB2 SER 48 HB2 SER 48 11.631 13.261 4.748 369 HB3 SER 48 HB3 SER 48 10.957 11.623 4.750 370 HG SER 48 HG SER 48 11.779 12.271 6.779 371 H GLY 49 H GLY 49 11.086 10.000 3.350 372 HA2 GLY 49 HA2 GLY 49 11.979 7.779 2.314 373 HA3 GLY 49 HA3 GLY 49 12.950 7.731 3.794 374 H LEU 50 H LEU 50 11.625 5.652 3.842 375 HA LEU 50 HA LEU 50 8.856 5.885 4.784 376 HB2 LEU 50 HB2 LEU 50 9.546 3.954 3.431 377 HB3 LEU 50 HB3 LEU 50 10.828 3.567 4.591 378 HG LEU 50 HG LEU 50 8.802 3.327 6.285 379 HD11 LEU 50 HD11 LEU 50 7.094 4.190 4.636 380 HD12 LEU 50 HD12 LEU 50 6.749 2.584 5.318 381 HD13 LEU 50 HD13 LEU 50 7.380 2.742 3.660 382 HD21 LEU 50 HD21 LEU 50 8.583 0.949 5.642 383 HD22 LEU 50 HD22 LEU 50 10.270 1.471 5.539 384 HD23 LEU 50 HD23 LEU 50 9.304 1.293 4.063 385 HA PRO 51 HA PRO 51 10.380 6.517 8.944 386 HB2 PRO 51 HB2 PRO 51 8.156 5.888 10.462 387 HB3 PRO 51 HB3 PRO 51 8.333 7.401 9.535 388 HG2 PRO 51 HG2 PRO 51 6.839 4.909 8.795 389 HG3 PRO 51 HG3 PRO 51 6.348 6.611 8.557 390 HD2 PRO 51 HD2 PRO 51 7.425 5.022 6.599 391 HD3 PRO 51 HD3 PRO 51 7.656 6.776 6.591 392 H ALA 52 H ALA 52 11.361 5.306 10.495 393 HA ALA 52 HA ALA 52 11.975 2.665 10.147 394 HB1 ALA 52 HB1 ALA 52 13.202 4.354 11.538 395 HB2 ALA 52 HB2 ALA 52 11.967 4.156 12.808 396 HB3 ALA 52 HB3 ALA 52 13.023 2.796 12.341 397 H LYS 53 H LYS 53 9.042 3.816 11.476 398 HA LYS 53 HA LYS 53 8.395 1.512 13.155 399 HB2 LYS 53 HB2 LYS 53 6.590 3.639 11.924 400 HB3 LYS 53 HB3 LYS 53 6.105 2.505 13.155 401 HG2 LYS 53 HG2 LYS 53 8.158 4.727 13.436 402 HG3 LYS 53 HG3 LYS 53 6.514 4.765 14.045 403 HD2 LYS 53 HD2 LYS 53 8.562 2.719 15.018 404 HD3 LYS 53 HD3 LYS 53 8.416 4.326 15.683 405 HE2 LYS 53 HE2 LYS 53 7.215 2.901 17.120 406 HE3 LYS 53 HE3 LYS 53 6.036 3.920 16.285 407 HZ1 LYS 53 HZ1 LYS 53 5.558 1.440 16.502 408 HZ2 LYS 53 HZ2 LYS 53 6.685 1.175 15.378 409 HZ3 LYS 53 HZ3 LYS 53 5.334 2.059 15.010 410 H LEU 54 H LEU 54 7.348 2.699 9.933 411 HA LEU 54 HA LEU 54 5.710 0.394 9.369 412 HB2 LEU 54 HB2 LEU 54 6.592 2.754 7.697 413 HB3 LEU 54 HB3 LEU 54 5.358 1.598 7.240 414 HG LEU 54 HG LEU 54 5.248 3.483 9.603 415 HD11 LEU 54 HD11 LEU 54 3.531 3.277 7.093 416 HD12 LEU 54 HD12 LEU 54 4.810 4.476 7.366 417 HD13 LEU 54 HD13 LEU 54 3.376 4.486 8.393 418 HD21 LEU 54 HD21 LEU 54 3.197 1.374 8.820 419 HD22 LEU 54 HD22 LEU 54 2.988 2.681 10.023 420 HD23 LEU 54 HD23 LEU 54 4.150 1.425 10.328 421 H ARG 55 H ARG 55 8.891 0.321 9.296 422 HA ARG 55 HA ARG 55 9.323 -1.083 6.748 423 HB2 ARG 55 HB2 ARG 55 11.680 -1.070 7.364 424 HB3 ARG 55 HB3 ARG 55 10.965 0.534 7.506 425 HG2 ARG 55 HG2 ARG 55 11.644 0.742 9.536 426 HG3 ARG 55 HG3 ARG 55 10.687 -0.634 10.081 427 HD2 ARG 55 HD2 ARG 55 12.513 -2.138 9.764 428 HD3 ARG 55 HD3 ARG 55 13.483 -0.912 8.930 429 HE ARG 55 HE ARG 55 12.804 0.178 11.401 430 HH11 ARG 55 HH11 ARG 55 14.725 -2.623 10.286 431 HH12 ARG 55 HH12 ARG 55 15.797 -2.556 11.635 432 HH21 ARG 55 HH21 ARG 55 14.111 0.135 13.228 433 HH22 ARG 55 HH22 ARG 55 15.570 -0.828 13.249 434 H HIS 56 H HIS 56 7.516 -2.358 8.397 435 HA HIS 56 HA HIS 56 8.690 -4.448 9.978 436 HB2 HIS 56 HB2 HIS 56 6.129 -3.854 9.691 437 HB3 HIS 56 HB3 HIS 56 6.176 -5.053 8.415 438 HD1 HIS 56 HD1 HIS 56 7.499 -4.996 12.145 439 HD2 HIS 56 HD2 HIS 56 5.478 -7.364 9.303 440 HE1 HIS 56 HE1 HIS 56 7.137 -7.268 13.219 441 H GLU 57 H GLU 57 8.826 -6.786 9.429 442 HA GLU 57 HA GLU 57 10.730 -7.437 7.635 443 HB2 GLU 57 HB2 GLU 57 8.457 -9.158 8.662 444 HB3 GLU 57 HB3 GLU 57 9.900 -9.796 7.890 445 HG2 GLU 57 HG2 GLU 57 9.960 -8.084 10.414 446 HG3 GLU 57 HG3 GLU 57 9.853 -9.838 10.419 447 H GLN 58 H GLN 58 7.265 -7.312 6.698 448 HA GLN 58 HA GLN 58 8.110 -7.463 3.883 449 HB2 GLN 58 HB2 GLN 58 7.730 -9.796 4.433 450 HB3 GLN 58 HB3 GLN 58 6.203 -9.416 5.248 451 HG2 GLN 58 HG2 GLN 58 5.114 -8.900 3.170 452 HG3 GLN 58 HG3 GLN 58 6.663 -8.999 2.313 453 HE21 GLN 58 HE21 GLN 58 4.084 -10.971 3.932 454 HE22 GLN 58 HE22 GLN 58 4.737 -12.476 3.319 455 H ILE 59 H ILE 59 7.030 -5.964 2.752 456 HA ILE 59 HA ILE 59 4.393 -5.118 3.761 457 HB ILE 59 HB ILE 59 4.895 -2.925 3.884 458 HG12 ILE 59 HG12 ILE 59 7.382 -3.377 2.212 459 HG13 ILE 59 HG13 ILE 59 5.930 -2.626 1.647 460 HG21 ILE 59 HG21 ILE 59 7.630 -3.894 4.725 461 HG22 ILE 59 HG22 ILE 59 6.674 -2.564 5.395 462 HG23 ILE 59 HG23 ILE 59 6.196 -4.226 5.665 463 HD11 ILE 59 HD11 ILE 59 6.213 -0.795 3.353 464 HD12 ILE 59 HD12 ILE 59 7.823 -1.463 3.712 465 HD13 ILE 59 HD13 ILE 59 7.464 -0.856 2.087 466 H ILE 60 H ILE 60 3.231 -3.810 2.104 467 HA ILE 60 HA ILE 60 3.800 -4.645 -0.714 468 HB ILE 60 HB ILE 60 1.167 -4.874 0.817 469 HG12 ILE 60 HG12 ILE 60 1.928 -7.303 -0.596 470 HG13 ILE 60 HG13 ILE 60 3.291 -6.799 0.360 471 HG21 ILE 60 HG21 ILE 60 0.582 -4.091 -1.346 472 HG22 ILE 60 HG22 ILE 60 1.837 -5.083 -2.119 473 HG23 ILE 60 HG23 ILE 60 0.371 -5.843 -1.431 474 HD11 ILE 60 HD11 ILE 60 1.907 -8.291 1.649 475 HD12 ILE 60 HD12 ILE 60 1.844 -6.681 2.380 476 HD13 ILE 60 HD13 ILE 60 0.478 -7.262 1.393 477 H PHE 61 H PHE 61 3.768 -2.861 -2.081 478 HA PHE 61 HA PHE 61 2.592 -0.323 -1.034 479 HB2 PHE 61 HB2 PHE 61 4.435 -0.928 -3.386 480 HB3 PHE 61 HB3 PHE 61 3.790 0.667 -2.975 481 HD1 PHE 61 HD1 PHE 61 4.194 1.166 -0.252 482 HD2 PHE 61 HD2 PHE 61 6.713 -1.102 -2.913 483 HE1 PHE 61 HE1 PHE 61 6.203 1.829 1.070 484 HE2 PHE 61 HE2 PHE 61 8.707 -0.405 -1.597 485 HZ PHE 61 HZ PHE 61 8.448 1.081 0.359 486 H HIS 62 H HIS 62 0.969 0.726 -2.287 487 HA HIS 62 HA HIS 62 -0.039 -0.556 -4.741 488 HB2 HIS 62 HB2 HIS 62 -2.217 -0.880 -3.907 489 HB3 HIS 62 HB3 HIS 62 -1.160 -1.625 -2.690 490 HD1 HIS 62 HD1 HIS 62 -1.102 1.990 -1.989 491 HD2 HIS 62 HD2 HIS 62 -3.791 -1.254 -1.455 492 HE1 HIS 62 HE1 HIS 62 -2.765 2.688 -0.202 493 H CYS 63 H CYS 63 -1.959 1.003 -5.626 494 HA CYS 63 HA CYS 63 -1.688 3.801 -4.797 495 HB2 CYS 63 HB2 CYS 63 -1.115 4.471 -7.136 496 HB3 CYS 63 HB3 CYS 63 0.162 3.450 -6.449 497 HG CYS 63 HG CYS 63 -0.439 2.928 -9.072 498 H GLN 64 H GLN 64 -3.193 5.039 -6.670 499 HA GLN 64 HA GLN 64 -5.850 4.196 -6.342 500 HB2 GLN 64 HB2 GLN 64 -5.408 6.417 -6.936 501 HB3 GLN 64 HB3 GLN 64 -4.477 5.983 -8.370 502 HG2 GLN 64 HG2 GLN 64 -6.351 5.553 -9.663 503 HG3 GLN 64 HG3 GLN 64 -7.352 5.094 -8.287 504 HE21 GLN 64 HE21 GLN 64 -8.322 6.704 -6.982 505 HE22 GLN 64 HE22 GLN 64 -8.585 8.338 -7.569 506 H ALA 65 H ALA 65 -3.863 3.995 -9.248 507 HA ALA 65 HA ALA 65 -3.955 1.344 -10.006 508 HB1 ALA 65 HB1 ALA 65 -6.375 1.589 -10.486 509 HB2 ALA 65 HB2 ALA 65 -6.059 3.098 -11.377 510 HB3 ALA 65 HB3 ALA 65 -5.462 1.547 -12.003 511 H GLY 66 H GLY 66 -1.918 1.601 -10.906 512 HA2 GLY 66 HA2 GLY 66 -1.372 3.253 -13.099 513 HA3 GLY 66 HA3 GLY 66 -0.794 4.105 -11.660 514 H LYS 67 H LYS 67 0.931 3.482 -13.512 515 HA LYS 67 HA LYS 67 2.466 1.059 -12.773 516 HB2 LYS 67 HB2 LYS 67 3.802 1.609 -14.810 517 HB3 LYS 67 HB3 LYS 67 2.135 1.156 -15.101 518 HG2 LYS 67 HG2 LYS 67 2.849 4.095 -14.922 519 HG3 LYS 67 HG3 LYS 67 3.263 3.186 -16.370 520 HD2 LYS 67 HD2 LYS 67 0.967 2.635 -16.848 521 HD3 LYS 67 HD3 LYS 67 0.404 3.194 -15.299 522 HE2 LYS 67 HE2 LYS 67 -0.145 4.714 -17.121 523 HE3 LYS 67 HE3 LYS 67 0.794 5.497 -15.851 524 HZ1 LYS 67 HZ1 LYS 67 2.023 4.454 -18.325 525 HZ2 LYS 67 HZ2 LYS 67 2.703 5.477 -17.221 526 HZ3 LYS 67 HZ3 LYS 67 1.488 6.007 -18.178 527 H ARG 68 H ARG 68 2.392 4.372 -11.875 528 HA ARG 68 HA ARG 68 5.195 4.951 -11.740 529 HB2 ARG 68 HB2 ARG 68 2.948 5.802 -9.875 530 HB3 ARG 68 HB3 ARG 68 4.562 6.444 -9.803 531 HG2 ARG 68 HG2 ARG 68 3.065 6.598 -12.410 532 HG3 ARG 68 HG3 ARG 68 2.648 7.706 -11.116 533 HD2 ARG 68 HD2 ARG 68 5.425 7.401 -12.267 534 HD3 ARG 68 HD3 ARG 68 4.254 8.627 -12.757 535 HE ARG 68 HE ARG 68 4.267 9.126 -10.169 536 HH11 ARG 68 HH11 ARG 68 6.968 8.948 -12.411 537 HH12 ARG 68 HH12 ARG 68 8.170 9.606 -11.340 538 HH21 ARG 68 HH21 ARG 68 5.748 9.951 -8.676 539 HH22 ARG 68 HH22 ARG 68 7.408 10.213 -9.076 540 H THR 69 H THR 69 3.086 2.970 -9.768 541 HA THR 69 HA THR 69 4.505 2.401 -7.496 542 HB THR 69 HB THR 69 3.068 0.077 -8.593 543 HG1 THR 69 HG1 THR 69 1.420 1.004 -9.545 544 HG21 THR 69 HG21 THR 69 3.227 0.872 -6.122 545 HG22 THR 69 HG22 THR 69 1.626 0.374 -6.703 546 HG23 THR 69 HG23 THR 69 2.019 2.092 -6.564 547 H SER 70 H SER 70 4.643 0.649 -10.710 548 HA SER 70 HA SER 70 6.854 -1.003 -9.815 549 HB2 SER 70 HB2 SER 70 6.705 -1.634 -12.318 550 HB3 SER 70 HB3 SER 70 5.423 -2.156 -11.211 551 HG SER 70 HG SER 70 4.012 -0.979 -12.226 552 H ASN 71 H ASN 71 6.474 2.034 -11.560 553 HA ASN 71 HA ASN 71 9.061 1.955 -12.825 554 HB2 ASN 71 HB2 ASN 71 7.267 4.277 -12.102 555 HB3 ASN 71 HB3 ASN 71 8.794 4.447 -12.974 556 HD21 ASN 71 HD21 ASN 71 6.397 5.305 -14.074 557 HD22 ASN 71 HD22 ASN 71 6.001 4.300 -15.468 558 H ASN 72 H ASN 72 8.002 3.465 -9.724 559 HA ASN 72 HA ASN 72 10.733 4.357 -9.148 560 HB2 ASN 72 HB2 ASN 72 8.077 4.722 -7.874 561 HB3 ASN 72 HB3 ASN 72 9.449 4.697 -6.776 562 HD21 ASN 72 HD21 ASN 72 10.093 6.764 -6.265 563 HD22 ASN 72 HD22 ASN 72 10.161 8.056 -7.459 564 H ALA 73 H ALA 73 9.634 1.284 -9.068 565 HA ALA 73 HA ALA 73 10.039 0.068 -6.716 566 HB1 ALA 73 HB1 ALA 73 10.515 -1.900 -8.063 567 HB2 ALA 73 HB2 ALA 73 9.183 -0.970 -8.736 568 HB3 ALA 73 HB3 ALA 73 10.808 -0.890 -9.487 569 H ASP 74 H ASP 74 12.688 1.416 -8.691 570 HA ASP 74 HA ASP 74 14.783 -0.194 -7.649 571 HB2 ASP 74 HB2 ASP 74 14.961 1.421 -9.557 572 HB3 ASP 74 HB3 ASP 74 14.940 2.759 -8.420 573 H LYS 75 H LYS 75 13.837 3.068 -6.711 574 HA LYS 75 HA LYS 75 15.251 2.989 -4.187 575 HB2 LYS 75 HB2 LYS 75 13.106 5.024 -4.775 576 HB3 LYS 75 HB3 LYS 75 14.578 5.184 -3.822 577 HG2 LYS 75 HG2 LYS 75 15.298 6.296 -5.663 578 HG3 LYS 75 HG3 LYS 75 15.728 4.689 -6.229 579 HD2 LYS 75 HD2 LYS 75 14.469 5.436 -8.058 580 HD3 LYS 75 HD3 LYS 75 13.182 4.669 -7.094 581 HE2 LYS 75 HE2 LYS 75 12.387 6.841 -7.817 582 HE3 LYS 75 HE3 LYS 75 12.661 6.864 -6.070 583 HZ1 LYS 75 HZ1 LYS 75 13.584 8.812 -6.749 584 HZ2 LYS 75 HZ2 LYS 75 14.192 8.227 -8.165 585 HZ3 LYS 75 HZ3 LYS 75 14.923 7.882 -6.731 586 H LEU 76 H LEU 76 11.880 2.630 -5.208 587 HA LEU 76 HA LEU 76 10.793 2.635 -2.546 588 HB2 LEU 76 HB2 LEU 76 9.826 1.233 -5.034 589 HB3 LEU 76 HB3 LEU 76 8.990 1.019 -3.506 590 HG LEU 76 HG LEU 76 9.497 3.729 -4.780 591 HD11 LEU 76 HD11 LEU 76 8.011 2.359 -6.204 592 HD12 LEU 76 HD12 LEU 76 7.126 3.696 -5.455 593 HD13 LEU 76 HD13 LEU 76 6.960 2.044 -4.814 594 HD21 LEU 76 HD21 LEU 76 7.716 4.513 -3.228 595 HD22 LEU 76 HD22 LEU 76 9.101 3.888 -2.343 596 HD23 LEU 76 HD23 LEU 76 7.645 2.890 -2.501 597 H ALA 77 H ALA 77 12.322 -0.035 -4.369 598 HA ALA 77 HA ALA 77 11.938 -2.005 -2.303 599 HB1 ALA 77 HB1 ALA 77 13.895 -3.154 -3.276 600 HB2 ALA 77 HB2 ALA 77 12.782 -2.619 -4.541 601 HB3 ALA 77 HB3 ALA 77 14.282 -1.722 -4.251 602 H ALA 78 H ALA 78 14.774 0.161 -2.904 603 HA ALA 78 HA ALA 78 16.275 -0.554 -0.650 604 HB1 ALA 78 HB1 ALA 78 17.453 1.588 -1.002 605 HB2 ALA 78 HB2 ALA 78 17.189 0.704 -2.518 606 HB3 ALA 78 HB3 ALA 78 16.172 2.106 -2.110 607 H ILE 79 H ILE 79 13.883 2.111 -0.896 608 HA ILE 79 HA ILE 79 14.154 3.377 1.552 609 HB ILE 79 HB ILE 79 11.833 2.824 -0.343 610 HG12 ILE 79 HG12 ILE 79 12.869 5.527 0.455 611 HG13 ILE 79 HG13 ILE 79 13.762 4.605 -0.754 612 HG21 ILE 79 HG21 ILE 79 10.680 2.989 1.736 613 HG22 ILE 79 HG22 ILE 79 11.716 4.341 2.266 614 HG23 ILE 79 HG23 ILE 79 10.523 4.573 0.980 615 HD11 ILE 79 HD11 ILE 79 12.084 6.332 -1.648 616 HD12 ILE 79 HD12 ILE 79 11.903 4.701 -2.298 617 HD13 ILE 79 HD13 ILE 79 10.793 5.296 -1.062 618 H ALA 80 H ALA 80 12.115 0.545 0.717 619 HA ALA 80 HA ALA 80 11.229 0.152 3.451 620 HB1 ALA 80 HB1 ALA 80 11.002 -1.690 1.051 621 HB2 ALA 80 HB2 ALA 80 9.946 -1.599 2.479 622 HB3 ALA 80 HB3 ALA 80 9.932 -0.289 1.306 623 H ALA 81 H ALA 81 13.611 -1.438 1.326 624 HA ALA 81 HA ALA 81 14.164 -3.770 2.520 625 HB1 ALA 81 HB1 ALA 81 16.098 -1.821 1.277 626 HB2 ALA 81 HB2 ALA 81 16.473 -3.509 1.629 627 HB3 ALA 81 HB3 ALA 81 15.182 -3.135 0.484 628 HA PRO 82 HA PRO 82 16.592 -5.036 2.987 629 HB2 PRO 82 HB2 PRO 82 17.302 -6.642 5.013 630 HB3 PRO 82 HB3 PRO 82 18.307 -5.269 4.504 631 HG2 PRO 82 HG2 PRO 82 16.223 -5.295 6.726 632 HG3 PRO 82 HG3 PRO 82 17.960 -4.842 6.864 633 HD2 PRO 82 HD2 PRO 82 16.114 -2.942 6.463 634 HD3 PRO 82 HD3 PRO 82 17.638 -2.882 5.533 635 H ALA 83 H ALA 83 13.779 -4.352 4.361 636 HA ALA 83 HA ALA 83 12.729 -7.045 4.863 637 HB1 ALA 83 HB1 ALA 83 11.604 -4.222 4.946 638 HB2 ALA 83 HB2 ALA 83 10.588 -5.669 5.130 639 HB3 ALA 83 HB3 ALA 83 11.894 -5.341 6.288 640 H GLU 84 H GLU 84 10.580 -7.536 3.692 641 HA GLU 84 HA GLU 84 11.163 -7.554 0.833 642 HB2 GLU 84 HB2 GLU 84 9.425 -9.080 2.739 643 HB3 GLU 84 HB3 GLU 84 8.793 -8.958 1.104 644 HG2 GLU 84 HG2 GLU 84 11.662 -9.796 1.653 645 HG3 GLU 84 HG3 GLU 84 10.321 -10.946 1.627 646 H ILE 85 H ILE 85 9.804 -6.942 -0.869 647 HA ILE 85 HA ILE 85 7.555 -5.138 -0.225 648 HB ILE 85 HB ILE 85 8.499 -3.766 -2.243 649 HG12 ILE 85 HG12 ILE 85 10.517 -5.392 -2.462 650 HG13 ILE 85 HG13 ILE 85 10.715 -3.669 -2.675 651 HG21 ILE 85 HG21 ILE 85 7.962 -2.829 -0.130 652 HG22 ILE 85 HG22 ILE 85 9.427 -3.496 0.607 653 HG23 ILE 85 HG23 ILE 85 9.557 -2.240 -0.636 654 HD11 ILE 85 HD11 ILE 85 11.355 -5.101 -0.063 655 HD12 ILE 85 HD12 ILE 85 12.545 -4.727 -1.314 656 HD13 ILE 85 HD13 ILE 85 11.714 -3.426 -0.445 657 H PHE 86 H PHE 86 5.761 -5.484 -1.437 658 HA PHE 86 HA PHE 86 6.017 -6.830 -4.096 659 HB2 PHE 86 HB2 PHE 86 3.800 -7.065 -2.047 660 HB3 PHE 86 HB3 PHE 86 3.789 -7.794 -3.645 661 HD1 PHE 86 HD1 PHE 86 5.262 -8.037 -0.253 662 HD2 PHE 86 HD2 PHE 86 5.189 -9.668 -4.243 663 HE1 PHE 86 HE1 PHE 86 6.430 -10.103 0.528 664 HE2 PHE 86 HE2 PHE 86 6.268 -11.750 -3.414 665 HZ PHE 86 HZ PHE 86 6.868 -11.959 -1.018 666 H LEU 87 H LEU 87 4.066 -6.377 -5.539 667 HA LEU 87 HA LEU 87 3.045 -3.585 -5.188 668 HB2 LEU 87 HB2 LEU 87 4.463 -4.782 -7.568 669 HB3 LEU 87 HB3 LEU 87 3.321 -3.459 -7.793 670 HG LEU 87 HG LEU 87 5.754 -3.287 -5.964 671 HD11 LEU 87 HD11 LEU 87 6.344 -3.605 -8.369 672 HD12 LEU 87 HD12 LEU 87 6.749 -1.979 -7.811 673 HD13 LEU 87 HD13 LEU 87 5.280 -2.276 -8.798 674 HD21 LEU 87 HD21 LEU 87 3.955 -1.724 -5.356 675 HD22 LEU 87 HD22 LEU 87 3.762 -1.264 -7.047 676 HD23 LEU 87 HD23 LEU 87 5.238 -0.827 -6.148 677 H LEU 88 H LEU 88 0.997 -3.533 -5.126 678 HA LEU 88 HA LEU 88 -0.780 -5.620 -6.025 679 HB2 LEU 88 HB2 LEU 88 -1.151 -4.101 -4.030 680 HB3 LEU 88 HB3 LEU 88 -1.347 -2.757 -5.149 681 HG LEU 88 HG LEU 88 -3.285 -4.155 -6.214 682 HD11 LEU 88 HD11 LEU 88 -4.377 -5.737 -4.687 683 HD12 LEU 88 HD12 LEU 88 -3.088 -5.539 -3.499 684 HD13 LEU 88 HD13 LEU 88 -2.736 -6.305 -5.062 685 HD21 LEU 88 HD21 LEU 88 -4.887 -3.373 -4.484 686 HD22 LEU 88 HD22 LEU 88 -3.696 -2.144 -4.922 687 HD23 LEU 88 HD23 LEU 88 -3.532 -3.033 -3.392 688 H GLU 89 H GLU 89 -0.669 -5.915 -8.224 689 HA GLU 89 HA GLU 89 -0.308 -4.086 -10.237 690 HB2 GLU 89 HB2 GLU 89 -0.398 -6.680 -10.287 691 HB3 GLU 89 HB3 GLU 89 -2.117 -6.513 -10.559 692 HG2 GLU 89 HG2 GLU 89 -1.578 -4.976 -12.523 693 HG3 GLU 89 HG3 GLU 89 0.121 -5.395 -12.312 694 H ASP 90 H ASP 90 -3.488 -5.306 -9.196 695 HA ASP 90 HA ASP 90 -4.997 -3.742 -11.048 696 HB2 ASP 90 HB2 ASP 90 -5.454 -6.024 -9.862 697 HB3 ASP 90 HB3 ASP 90 -6.126 -5.045 -8.573 698 H GLY 91 H GLY 91 -3.555 -2.648 -8.218 699 HA2 GLY 91 HA2 GLY 91 -3.666 -0.582 -7.212 700 HA3 GLY 91 HA3 GLY 91 -4.992 -0.137 -8.294 701 H ILE 92 H ILE 92 -5.050 0.720 -5.722 702 HA ILE 92 HA ILE 92 -6.376 -0.905 -3.805 703 HB ILE 92 HB ILE 92 -5.052 1.199 -3.501 704 HG12 ILE 92 HG12 ILE 92 -6.719 0.047 -1.823 705 HG13 ILE 92 HG13 ILE 92 -5.824 1.510 -1.441 706 HG21 ILE 92 HG21 ILE 92 -6.215 2.550 -5.218 707 HG22 ILE 92 HG22 ILE 92 -7.605 2.713 -4.169 708 HG23 ILE 92 HG23 ILE 92 -6.041 3.378 -3.651 709 HD11 ILE 92 HD11 ILE 92 -7.736 2.905 -1.703 710 HD12 ILE 92 HD12 ILE 92 -8.693 1.571 -2.367 711 HD13 ILE 92 HD13 ILE 92 -8.179 1.538 -0.669 712 H ASP 93 H ASP 93 -7.473 0.717 -6.657 713 HA ASP 93 HA ASP 93 -10.187 1.188 -6.123 714 HB2 ASP 93 HB2 ASP 93 -8.838 1.849 -8.154 715 HB3 ASP 93 HB3 ASP 93 -8.959 0.173 -8.728 716 H GLY 94 H GLY 94 -8.502 -1.866 -6.815 717 HA2 GLY 94 HA2 GLY 94 -10.933 -3.429 -7.125 718 HA3 GLY 94 HA3 GLY 94 -9.272 -4.008 -7.098 719 H TRP 95 H TRP 95 -9.199 -2.257 -4.362 720 HA TRP 95 HA TRP 95 -9.333 -4.411 -2.537 721 HB2 TRP 95 HB2 TRP 95 -8.143 -2.176 -2.299 722 HB3 TRP 95 HB3 TRP 95 -9.691 -1.475 -1.839 723 HD1 TRP 95 HD1 TRP 95 -10.611 -2.102 0.619 724 HE1 TRP 95 HE1 TRP 95 -9.503 -3.048 2.685 725 HE3 TRP 95 HE3 TRP 95 -6.206 -3.609 -1.500 726 HZ2 TRP 95 HZ2 TRP 95 -7.091 -4.654 3.282 727 HZ3 TRP 95 HZ3 TRP 95 -4.531 -4.852 -0.150 728 HH2 TRP 95 HH2 TRP 95 -4.975 -5.423 2.205 729 H LYS 96 H LYS 96 -11.584 -1.685 -3.080 730 HA LYS 96 HA LYS 96 -13.772 -2.585 -1.511 731 HB2 LYS 96 HB2 LYS 96 -13.362 -0.686 -3.842 732 HB3 LYS 96 HB3 LYS 96 -15.007 -1.150 -3.425 733 HG2 LYS 96 HG2 LYS 96 -14.762 -0.350 -1.147 734 HG3 LYS 96 HG3 LYS 96 -13.053 -0.026 -1.393 735 HD2 LYS 96 HD2 LYS 96 -13.808 2.074 -1.761 736 HD3 LYS 96 HD3 LYS 96 -13.983 1.502 -3.409 737 HE2 LYS 96 HE2 LYS 96 -16.146 1.787 -1.279 738 HE3 LYS 96 HE3 LYS 96 -15.957 2.738 -2.752 739 HZ1 LYS 96 HZ1 LYS 96 -16.489 0.763 -4.034 740 HZ2 LYS 96 HZ2 LYS 96 -17.702 1.044 -2.941 741 HZ3 LYS 96 HZ3 LYS 96 -16.644 -0.145 -2.688 742 H LYS 97 H LYS 97 -13.083 -3.014 -5.007 743 HA LYS 97 HA LYS 97 -15.436 -4.318 -5.713 744 HB2 LYS 97 HB2 LYS 97 -13.626 -3.436 -7.211 745 HB3 LYS 97 HB3 LYS 97 -12.693 -4.908 -6.884 746 HG2 LYS 97 HG2 LYS 97 -14.354 -6.312 -7.890 747 HG3 LYS 97 HG3 LYS 97 -15.543 -5.006 -7.963 748 HD2 LYS 97 HD2 LYS 97 -12.890 -4.942 -9.435 749 HD3 LYS 97 HD3 LYS 97 -14.359 -5.592 -10.152 750 HE2 LYS 97 HE2 LYS 97 -14.220 -2.752 -9.054 751 HE3 LYS 97 HE3 LYS 97 -13.712 -3.154 -10.694 752 HZ1 LYS 97 HZ1 LYS 97 -16.434 -3.588 -9.611 753 HZ2 LYS 97 HZ2 LYS 97 -15.921 -4.057 -11.088 754 HZ3 LYS 97 HZ3 LYS 97 -15.981 -2.452 -10.721 755 H ALA 98 H ALA 98 -12.517 -5.765 -4.219 756 HA ALA 98 HA ALA 98 -13.492 -8.478 -4.442 757 HB1 ALA 98 HB1 ALA 98 -11.643 -8.924 -2.842 758 HB2 ALA 98 HB2 ALA 98 -11.127 -7.973 -4.251 759 HB3 ALA 98 HB3 ALA 98 -11.361 -7.189 -2.665 760 H GLY 99 H GLY 99 -14.163 -5.850 -2.277 761 HA2 GLY 99 HA2 GLY 99 -15.978 -5.819 -0.792 762 HA3 GLY 99 HA3 GLY 99 -15.852 -7.566 -0.554 763 H LEU 100 H LEU 100 -12.738 -6.061 -0.450 764 HA LEU 100 HA LEU 100 -12.383 -6.785 2.288 765 HB2 LEU 100 HB2 LEU 100 -10.768 -4.954 0.510 766 HB3 LEU 100 HB3 LEU 100 -10.223 -5.506 2.063 767 HG LEU 100 HG LEU 100 -10.833 -7.408 -0.230 768 HD11 LEU 100 HD11 LEU 100 -8.946 -5.944 -0.816 769 HD12 LEU 100 HD12 LEU 100 -8.380 -7.589 -0.490 770 HD13 LEU 100 HD13 LEU 100 -8.159 -6.324 0.727 771 HD21 LEU 100 HD21 LEU 100 -10.994 -8.550 1.867 772 HD22 LEU 100 HD22 LEU 100 -9.597 -7.720 2.540 773 HD23 LEU 100 HD23 LEU 100 -9.374 -8.920 1.256 774 HA PRO 101 HA PRO 101 -14.045 -3.252 4.313 775 HB2 PRO 101 HB2 PRO 101 -12.670 -3.149 6.673 776 HB3 PRO 101 HB3 PRO 101 -13.805 -4.467 6.249 777 HG2 PRO 101 HG2 PRO 101 -10.802 -4.437 6.013 778 HG3 PRO 101 HG3 PRO 101 -11.839 -5.724 6.674 779 HD2 PRO 101 HD2 PRO 101 -10.875 -5.752 4.068 780 HD3 PRO 101 HD3 PRO 101 -12.435 -6.487 4.544 781 H VAL 102 H VAL 102 -13.565 -1.114 5.355 782 HA VAL 102 HA VAL 102 -11.074 0.180 4.488 783 HB VAL 102 HB VAL 102 -12.575 2.115 3.705 784 HG11 VAL 102 HG11 VAL 102 -12.611 1.323 1.407 785 HG12 VAL 102 HG12 VAL 102 -11.106 0.817 2.200 786 HG13 VAL 102 HG13 VAL 102 -12.408 -0.363 1.942 787 HG21 VAL 102 HG21 VAL 102 -14.716 1.663 2.829 788 HG22 VAL 102 HG22 VAL 102 -14.577 -0.083 3.148 789 HG23 VAL 102 HG23 VAL 102 -14.714 1.051 4.486 790 H ALA 103 H ALA 103 -10.708 2.090 5.511 791 HA ALA 103 HA ALA 103 -11.643 2.439 8.251 792 HB1 ALA 103 HB1 ALA 103 -9.438 3.782 6.604 793 HB2 ALA 103 HB2 ALA 103 -9.727 4.019 8.335 794 HB3 ALA 103 HB3 ALA 103 -9.223 2.428 7.736 795 H VAL 104 H VAL 104 -13.783 2.925 6.884 796 HA VAL 104 HA VAL 104 -13.916 5.738 5.951 797 HB VAL 104 HB VAL 104 -16.377 5.160 5.621 798 HG11 VAL 104 HG11 VAL 104 -15.943 3.731 3.593 799 HG12 VAL 104 HG12 VAL 104 -15.039 5.237 3.698 800 HG13 VAL 104 HG13 VAL 104 -14.229 3.700 4.074 801 HG21 VAL 104 HG21 VAL 104 -17.045 2.844 5.569 802 HG22 VAL 104 HG22 VAL 104 -15.415 2.308 6.055 803 HG23 VAL 104 HG23 VAL 104 -16.416 3.250 7.175 804 H ASN 105 H ASN 105 -15.859 6.869 6.827 805 HA ASN 105 HA ASN 105 -16.240 6.624 9.772 806 HB2 ASN 105 HB2 ASN 105 -14.489 8.160 9.783 807 HB3 ASN 105 HB3 ASN 105 -14.928 8.850 8.227 808 HD21 ASN 105 HD21 ASN 105 -15.993 8.717 11.656 809 HD22 ASN 105 HD22 ASN 105 -16.554 10.400 11.594 810 H LYS 106 H LYS 106 -17.499 7.510 6.604 811 HA LYS 106 HA LYS 106 -20.145 7.884 7.846 812 HB2 LYS 106 HB2 LYS 106 -20.592 9.864 6.470 813 HB3 LYS 106 HB3 LYS 106 -19.265 10.131 7.596 814 HG2 LYS 106 HG2 LYS 106 -17.624 9.783 5.746 815 HG3 LYS 106 HG3 LYS 106 -18.970 9.478 4.627 816 HD2 LYS 106 HD2 LYS 106 -18.288 11.727 4.306 817 HD3 LYS 106 HD3 LYS 106 -19.843 11.779 5.153 818 HE2 LYS 106 HE2 LYS 106 -18.487 11.994 7.339 819 HE3 LYS 106 HE3 LYS 106 -17.050 12.219 6.324 820 HZ1 LYS 106 HZ1 LYS 106 -18.215 14.127 5.324 821 HZ2 LYS 106 HZ2 LYS 106 -18.018 14.323 6.954 822 HZ3 LYS 106 HZ3 LYS 106 -19.475 13.904 6.356 823 H SER 107 H SER 107 -21.784 8.171 5.925 824 HA SER 107 HA SER 107 -21.282 6.233 3.774 825 HB2 SER 107 HB2 SER 107 -23.727 5.501 4.348 826 HB3 SER 107 HB3 SER 107 -22.391 4.875 5.316 827 HG SER 107 HG SER 107 -23.667 5.535 6.859 828 H GLN 108 H GLN 108 -23.371 6.390 2.292 829 HA GLN 108 HA GLN 108 -24.507 9.032 2.057 830 HB2 GLN 108 HB2 GLN 108 -22.461 9.427 0.790 831 HB3 GLN 108 HB3 GLN 108 -22.617 7.888 -0.052 832 HG2 GLN 108 HG2 GLN 108 -24.783 8.755 -1.077 833 HG3 GLN 108 HG3 GLN 108 -24.427 10.306 -0.322 834 HE21 GLN 108 HE21 GLN 108 -24.394 11.291 -2.461 835 HE22 GLN 108 HE22 GLN 108 -23.010 11.022 -3.524 Start of MODEL 6 1 H ALA 1 H ALA 1 11.700 -10.158 -1.680 2 HA ALA 1 HA ALA 1 11.902 -7.870 -2.260 3 HB1 ALA 1 HB1 ALA 1 13.706 -7.862 -3.891 4 HB2 ALA 1 HB2 ALA 1 13.878 -9.312 -2.891 5 HB3 ALA 1 HB3 ALA 1 13.197 -9.434 -4.531 6 H LEU 2 H LEU 2 12.248 -6.867 -5.023 7 HA LEU 2 HA LEU 2 9.688 -5.964 -5.617 8 HB2 LEU 2 HB2 LEU 2 12.078 -6.405 -7.451 9 HB3 LEU 2 HB3 LEU 2 10.624 -5.550 -7.944 10 HG LEU 2 HG LEU 2 12.452 -4.675 -5.665 11 HD11 LEU 2 HD11 LEU 2 12.146 -3.669 -8.534 12 HD12 LEU 2 HD12 LEU 2 13.549 -4.505 -7.849 13 HD13 LEU 2 HD13 LEU 2 13.131 -2.887 -7.273 14 HD21 LEU 2 HD21 LEU 2 10.172 -3.871 -5.281 15 HD22 LEU 2 HD22 LEU 2 10.044 -3.338 -6.968 16 HD23 LEU 2 HD23 LEU 2 11.161 -2.525 -5.852 17 H THR 3 H THR 3 7.956 -7.270 -5.854 18 HA THR 3 HA THR 3 7.754 -9.043 -8.153 19 HB THR 3 HB THR 3 7.437 -9.980 -5.271 20 HG1 THR 3 HG1 THR 3 9.508 -9.965 -6.895 21 HG21 THR 3 HG21 THR 3 6.935 -11.537 -7.843 22 HG22 THR 3 HG22 THR 3 5.766 -11.200 -6.541 23 HG23 THR 3 HG23 THR 3 7.121 -12.275 -6.241 24 H THR 4 H THR 4 5.251 -9.778 -8.190 25 HA THR 4 HA THR 4 3.551 -7.594 -7.118 26 HB THR 4 HB THR 4 2.293 -7.844 -9.266 27 HG1 THR 4 HG1 THR 4 3.026 -9.073 -10.861 28 HG21 THR 4 HG21 THR 4 4.098 -6.093 -9.005 29 HG22 THR 4 HG22 THR 4 3.820 -6.600 -10.685 30 HG23 THR 4 HG23 THR 4 5.231 -7.195 -9.796 31 H ILE 5 H ILE 5 1.372 -8.320 -6.507 32 HA ILE 5 HA ILE 5 0.967 -11.217 -6.552 33 HB ILE 5 HB ILE 5 0.375 -11.460 -4.335 34 HG12 ILE 5 HG12 ILE 5 -0.758 -9.441 -3.746 35 HG13 ILE 5 HG13 ILE 5 0.480 -9.803 -2.564 36 HG21 ILE 5 HG21 ILE 5 2.443 -11.200 -3.147 37 HG22 ILE 5 HG22 ILE 5 2.757 -11.675 -4.812 38 HG23 ILE 5 HG23 ILE 5 3.029 -9.993 -4.312 39 HD11 ILE 5 HD11 ILE 5 0.427 -7.408 -3.014 40 HD12 ILE 5 HD12 ILE 5 1.954 -8.070 -3.608 41 HD13 ILE 5 HD13 ILE 5 0.648 -7.696 -4.748 42 H SER 6 H SER 6 -1.201 -11.837 -6.058 43 HA SER 6 HA SER 6 -3.126 -10.533 -7.675 44 HB2 SER 6 HB2 SER 6 -3.364 -12.679 -5.541 45 HB3 SER 6 HB3 SER 6 -4.579 -12.373 -6.787 46 HG SER 6 HG SER 6 -1.878 -13.076 -7.413 47 HA PRO 7 HA PRO 7 -5.159 -7.793 -4.944 48 HB2 PRO 7 HB2 PRO 7 -7.891 -8.147 -5.470 49 HB3 PRO 7 HB3 PRO 7 -6.718 -7.173 -6.390 50 HG2 PRO 7 HG2 PRO 7 -7.679 -9.972 -6.947 51 HG3 PRO 7 HG3 PRO 7 -7.353 -8.647 -8.096 52 HD2 PRO 7 HD2 PRO 7 -5.605 -10.696 -7.670 53 HD3 PRO 7 HD3 PRO 7 -5.042 -9.044 -8.043 54 H HIS 8 H HIS 8 -5.523 -11.071 -4.039 55 HA HIS 8 HA HIS 8 -6.754 -10.196 -1.458 56 HB2 HIS 8 HB2 HIS 8 -8.126 -11.839 -2.987 57 HB3 HIS 8 HB3 HIS 8 -6.999 -13.047 -2.381 58 HD1 HIS 8 HD1 HIS 8 -9.814 -10.738 -1.271 59 HD2 HIS 8 HD2 HIS 8 -7.220 -13.659 0.282 60 HE1 HIS 8 HE1 HIS 8 -10.857 -11.521 0.937 61 H ASP 9 H ASP 9 -4.154 -11.802 -3.130 62 HA ASP 9 HA ASP 9 -2.982 -13.310 -1.028 63 HB2 ASP 9 HB2 ASP 9 -1.938 -11.948 -3.526 64 HB3 ASP 9 HB3 ASP 9 -0.802 -12.470 -2.295 65 H ALA 10 H ALA 10 -2.893 -9.880 -1.908 66 HA ALA 10 HA ALA 10 -0.832 -9.037 -0.129 67 HB1 ALA 10 HB1 ALA 10 -1.983 -6.794 -0.341 68 HB2 ALA 10 HB2 ALA 10 -1.640 -7.572 -1.908 69 HB3 ALA 10 HB3 ALA 10 -3.277 -7.594 -1.236 70 H GLN 11 H GLN 11 -4.427 -9.095 0.246 71 HA GLN 11 HA GLN 11 -4.564 -8.170 2.847 72 HB2 GLN 11 HB2 GLN 11 -6.502 -8.867 1.055 73 HB3 GLN 11 HB3 GLN 11 -6.509 -10.331 2.010 74 HG2 GLN 11 HG2 GLN 11 -6.551 -7.728 3.549 75 HG3 GLN 11 HG3 GLN 11 -7.876 -8.071 2.532 76 HE21 GLN 11 HE21 GLN 11 -9.325 -9.516 3.169 77 HE22 GLN 11 HE22 GLN 11 -9.310 -10.504 4.632 78 H GLU 12 H GLU 12 -4.396 -11.555 1.716 79 HA GLU 12 HA GLU 12 -4.284 -12.892 4.231 80 HB2 GLU 12 HB2 GLU 12 -4.696 -13.812 1.940 81 HB3 GLU 12 HB3 GLU 12 -2.977 -13.659 1.576 82 HG2 GLU 12 HG2 GLU 12 -2.433 -15.273 3.263 83 HG3 GLU 12 HG3 GLU 12 -4.066 -15.160 3.958 84 H LEU 13 H LEU 13 -1.684 -11.412 2.260 85 HA LEU 13 HA LEU 13 0.345 -12.470 4.024 86 HB2 LEU 13 HB2 LEU 13 0.325 -10.285 1.938 87 HB3 LEU 13 HB3 LEU 13 1.757 -10.559 2.932 88 HG LEU 13 HG LEU 13 0.451 -12.838 1.387 89 HD11 LEU 13 HD11 LEU 13 2.817 -11.129 0.562 90 HD12 LEU 13 HD12 LEU 13 1.179 -11.093 -0.179 91 HD13 LEU 13 HD13 LEU 13 2.182 -12.549 -0.314 92 HD21 LEU 13 HD21 LEU 13 2.630 -13.921 1.718 93 HD22 LEU 13 HD22 LEU 13 1.924 -13.523 3.268 94 HD23 LEU 13 HD23 LEU 13 3.225 -12.511 2.617 95 H ILE 14 H ILE 14 -1.366 -9.358 3.911 96 HA ILE 14 HA ILE 14 0.004 -8.232 6.171 97 HB ILE 14 HB ILE 14 -2.791 -7.733 5.116 98 HG12 ILE 14 HG12 ILE 14 -0.661 -5.632 4.939 99 HG13 ILE 14 HG13 ILE 14 -0.308 -7.060 4.006 100 HG21 ILE 14 HG21 ILE 14 -2.868 -6.991 7.396 101 HG22 ILE 14 HG22 ILE 14 -1.243 -6.288 7.282 102 HG23 ILE 14 HG23 ILE 14 -2.605 -5.548 6.401 103 HD11 ILE 14 HD11 ILE 14 -2.614 -6.906 2.972 104 HD12 ILE 14 HD12 ILE 14 -2.837 -5.372 3.823 105 HD13 ILE 14 HD13 ILE 14 -1.551 -5.542 2.590 106 H ALA 15 H ALA 15 -2.930 -10.285 5.966 107 HA ALA 15 HA ALA 15 -3.556 -10.387 8.699 108 HB1 ALA 15 HB1 ALA 15 -4.775 -12.396 8.180 109 HB2 ALA 15 HB2 ALA 15 -4.925 -11.287 6.794 110 HB3 ALA 15 HB3 ALA 15 -3.824 -12.671 6.710 111 H ARG 16 H ARG 16 -1.193 -12.257 6.798 112 HA ARG 16 HA ARG 16 -0.389 -13.980 9.011 113 HB2 ARG 16 HB2 ARG 16 0.808 -13.477 6.253 114 HB3 ARG 16 HB3 ARG 16 1.397 -14.672 7.394 115 HG2 ARG 16 HG2 ARG 16 -0.725 -15.918 7.267 116 HG3 ARG 16 HG3 ARG 16 -1.482 -14.656 6.388 117 HD2 ARG 16 HD2 ARG 16 -0.039 -14.943 4.465 118 HD3 ARG 16 HD3 ARG 16 0.997 -16.075 5.360 119 HE ARG 16 HE ARG 16 -1.540 -17.183 5.454 120 HH11 ARG 16 HH11 ARG 16 0.796 -16.413 2.903 121 HH12 ARG 16 HH12 ARG 16 0.187 -17.612 1.796 122 HH21 ARG 16 HH21 ARG 16 -2.346 -18.703 4.029 123 HH22 ARG 16 HH22 ARG 16 -1.578 -19.062 2.524 124 H GLY 17 H GLY 17 0.616 -10.802 7.966 125 HA2 GLY 17 HA2 GLY 17 1.988 -9.932 10.072 126 HA3 GLY 17 HA3 GLY 17 3.199 -11.032 9.446 127 H ALA 18 H ALA 18 1.716 -9.775 6.706 128 HA ALA 18 HA ALA 18 4.014 -8.078 6.220 129 HB1 ALA 18 HB1 ALA 18 3.138 -7.793 4.003 130 HB2 ALA 18 HB2 ALA 18 3.020 -9.495 4.486 131 HB3 ALA 18 HB3 ALA 18 1.571 -8.456 4.491 132 H LYS 19 H LYS 19 3.629 -5.855 5.239 133 HA LYS 19 HA LYS 19 1.595 -4.341 6.822 134 HB2 LYS 19 HB2 LYS 19 4.499 -3.746 6.280 135 HB3 LYS 19 HB3 LYS 19 3.399 -2.400 6.293 136 HG2 LYS 19 HG2 LYS 19 4.071 -4.298 8.558 137 HG3 LYS 19 HG3 LYS 19 4.421 -2.573 8.458 138 HD2 LYS 19 HD2 LYS 19 1.705 -3.891 8.854 139 HD3 LYS 19 HD3 LYS 19 2.639 -3.020 10.049 140 HE2 LYS 19 HE2 LYS 19 2.277 -0.899 8.972 141 HE3 LYS 19 HE3 LYS 19 1.521 -1.692 7.566 142 HZ1 LYS 19 HZ1 LYS 19 -0.230 -2.460 8.982 143 HZ2 LYS 19 HZ2 LYS 19 -0.162 -0.834 9.128 144 HZ3 LYS 19 HZ3 LYS 19 0.440 -1.764 10.321 145 H LEU 20 H LEU 20 0.730 -2.467 5.849 146 HA LEU 20 HA LEU 20 0.892 -2.489 2.873 147 HB2 LEU 20 HB2 LEU 20 -1.213 -3.424 3.963 148 HB3 LEU 20 HB3 LEU 20 -1.502 -1.871 4.635 149 HG LEU 20 HG LEU 20 -1.810 -0.847 2.467 150 HD11 LEU 20 HD11 LEU 20 -0.258 -2.010 1.006 151 HD12 LEU 20 HD12 LEU 20 -1.893 -2.275 0.390 152 HD13 LEU 20 HD13 LEU 20 -1.077 -3.564 1.293 153 HD21 LEU 20 HD21 LEU 20 -3.862 -1.925 1.885 154 HD22 LEU 20 HD22 LEU 20 -3.653 -2.182 3.636 155 HD23 LEU 20 HD23 LEU 20 -3.312 -3.497 2.506 156 H ILE 21 H ILE 21 1.595 -0.628 2.024 157 HA ILE 21 HA ILE 21 1.219 1.900 3.542 158 HB ILE 21 HB ILE 21 3.591 0.715 2.069 159 HG12 ILE 21 HG12 ILE 21 4.873 1.703 3.934 160 HG13 ILE 21 HG13 ILE 21 3.384 2.307 4.654 161 HG21 ILE 21 HG21 ILE 21 3.066 3.691 2.490 162 HG22 ILE 21 HG22 ILE 21 4.647 2.990 2.049 163 HG23 ILE 21 HG23 ILE 21 3.297 2.861 0.950 164 HD11 ILE 21 HD11 ILE 21 4.513 0.094 5.526 165 HD12 ILE 21 HD12 ILE 21 2.756 0.186 5.407 166 HD13 ILE 21 HD13 ILE 21 3.714 -0.660 4.154 167 H ASP 22 H ASP 22 -0.063 3.242 2.594 168 HA ASP 22 HA ASP 22 -0.956 2.979 -0.188 169 HB2 ASP 22 HB2 ASP 22 -1.632 4.769 2.185 170 HB3 ASP 22 HB3 ASP 22 -2.125 5.212 0.597 171 H ILE 23 H ILE 23 0.704 3.619 -1.594 172 HA ILE 23 HA ILE 23 2.597 5.727 -0.836 173 HB ILE 23 HB ILE 23 3.671 5.334 -2.958 174 HG12 ILE 23 HG12 ILE 23 1.464 3.326 -3.594 175 HG13 ILE 23 HG13 ILE 23 1.673 4.899 -4.374 176 HG21 ILE 23 HG21 ILE 23 3.980 3.884 -0.916 177 HG22 ILE 23 HG22 ILE 23 2.992 2.645 -1.704 178 HG23 ILE 23 HG23 ILE 23 4.538 3.194 -2.433 179 HD11 ILE 23 HD11 ILE 23 2.645 3.274 -5.815 180 HD12 ILE 23 HD12 ILE 23 4.004 4.134 -5.066 181 HD13 ILE 23 HD13 ILE 23 3.552 2.520 -4.495 182 H ARG 24 H ARG 24 -0.465 5.901 -1.959 183 HA ARG 24 HA ARG 24 -0.504 7.913 -3.911 184 HB2 ARG 24 HB2 ARG 24 -2.988 7.930 -2.958 185 HB3 ARG 24 HB3 ARG 24 -2.342 6.659 -3.965 186 HG2 ARG 24 HG2 ARG 24 -1.828 5.496 -1.525 187 HG3 ARG 24 HG3 ARG 24 -3.156 6.528 -1.095 188 HD2 ARG 24 HD2 ARG 24 -3.085 4.586 -3.453 189 HD3 ARG 24 HD3 ARG 24 -3.554 4.089 -1.854 190 HE ARG 24 HE ARG 24 -4.805 6.346 -3.240 191 HH11 ARG 24 HH11 ARG 24 -5.157 3.708 -0.912 192 HH12 ARG 24 HH12 ARG 24 -6.880 3.629 -1.020 193 HH21 ARG 24 HH21 ARG 24 -7.215 6.154 -3.490 194 HH22 ARG 24 HH22 ARG 24 -8.059 5.238 -2.288 195 H ASP 25 H ASP 25 -2.028 9.966 -3.186 196 HA ASP 25 HA ASP 25 -0.127 11.569 -1.674 197 HB2 ASP 25 HB2 ASP 25 -2.826 12.164 -2.913 198 HB3 ASP 25 HB3 ASP 25 -1.859 13.373 -2.077 199 H ALA 26 H ALA 26 -0.254 12.289 0.417 200 HA ALA 26 HA ALA 26 -1.718 10.902 2.360 201 HB1 ALA 26 HB1 ALA 26 0.243 12.140 2.996 202 HB2 ALA 26 HB2 ALA 26 -0.462 13.679 2.441 203 HB3 ALA 26 HB3 ALA 26 -1.128 12.839 3.852 204 H ASP 27 H ASP 27 -2.370 13.938 0.684 205 HA ASP 27 HA ASP 27 -4.654 14.750 2.193 206 HB2 ASP 27 HB2 ASP 27 -3.713 15.479 -0.608 207 HB3 ASP 27 HB3 ASP 27 -5.104 16.221 0.193 208 H GLU 28 H GLU 28 -4.406 12.114 0.015 209 HA GLU 28 HA GLU 28 -7.314 12.109 -0.557 210 HB2 GLU 28 HB2 GLU 28 -5.069 10.309 -1.603 211 HB3 GLU 28 HB3 GLU 28 -6.780 10.223 -2.040 212 HG2 GLU 28 HG2 GLU 28 -6.642 12.594 -2.843 213 HG3 GLU 28 HG3 GLU 28 -4.921 12.576 -2.587 214 H TYR 29 H TYR 29 -4.615 10.349 1.087 215 HA TYR 29 HA TYR 29 -6.061 8.221 2.119 216 HB2 TYR 29 HB2 TYR 29 -3.596 8.394 2.194 217 HB3 TYR 29 HB3 TYR 29 -3.719 9.640 3.432 218 HD1 TYR 29 HD1 TYR 29 -4.652 9.077 5.716 219 HD2 TYR 29 HD2 TYR 29 -3.849 6.034 2.767 220 HE1 TYR 29 HE1 TYR 29 -5.116 7.325 7.378 221 HE2 TYR 29 HE2 TYR 29 -4.378 4.279 4.419 222 HH TYR 29 HH TYR 29 -4.927 4.916 7.778 223 H LEU 30 H LEU 30 -5.812 11.449 3.429 224 HA LEU 30 HA LEU 30 -6.946 11.100 5.973 225 HB2 LEU 30 HB2 LEU 30 -6.624 13.357 4.045 226 HB3 LEU 30 HB3 LEU 30 -7.967 13.554 5.155 227 HG LEU 30 HG LEU 30 -6.502 13.223 7.096 228 HD11 LEU 30 HD11 LEU 30 -4.706 11.828 6.047 229 HD12 LEU 30 HD12 LEU 30 -4.061 13.255 6.859 230 HD13 LEU 30 HD13 LEU 30 -4.195 13.237 5.095 231 HD21 LEU 30 HD21 LEU 30 -6.948 15.495 6.224 232 HD22 LEU 30 HD22 LEU 30 -5.540 15.363 5.143 233 HD23 LEU 30 HD23 LEU 30 -5.317 15.386 6.906 234 H ARG 31 H ARG 31 -8.598 10.908 2.917 235 HA ARG 31 HA ARG 31 -11.256 11.376 4.077 236 HB2 ARG 31 HB2 ARG 31 -10.479 10.362 1.301 237 HB3 ARG 31 HB3 ARG 31 -12.082 10.851 1.864 238 HG2 ARG 31 HG2 ARG 31 -11.053 13.139 2.379 239 HG3 ARG 31 HG3 ARG 31 -9.635 12.596 1.453 240 HD2 ARG 31 HD2 ARG 31 -11.128 12.119 -0.496 241 HD3 ARG 31 HD3 ARG 31 -12.516 12.682 0.449 242 HE ARG 31 HE ARG 31 -11.682 14.857 0.483 243 HH11 ARG 31 HH11 ARG 31 -9.656 12.779 -1.659 244 HH12 ARG 31 HH12 ARG 31 -8.814 14.131 -2.327 245 HH21 ARG 31 HH21 ARG 31 -10.549 16.535 -0.384 246 HH22 ARG 31 HH22 ARG 31 -9.241 16.301 -1.502 247 H GLU 32 H GLU 32 -10.002 8.577 2.238 248 HA GLU 32 HA GLU 32 -10.849 6.635 4.150 249 HB2 GLU 32 HB2 GLU 32 -12.603 5.551 2.771 250 HB3 GLU 32 HB3 GLU 32 -13.113 7.089 3.468 251 HG2 GLU 32 HG2 GLU 32 -12.624 8.120 1.173 252 HG3 GLU 32 HG3 GLU 32 -12.450 6.485 0.560 253 H HIS 33 H HIS 33 -9.324 5.157 3.833 254 HA HIS 33 HA HIS 33 -8.591 4.300 1.089 255 HB2 HIS 33 HB2 HIS 33 -6.654 5.379 3.122 256 HB3 HIS 33 HB3 HIS 33 -6.129 4.153 1.974 257 HD1 HIS 33 HD1 HIS 33 -8.489 6.866 0.664 258 HD2 HIS 33 HD2 HIS 33 -4.422 5.842 0.757 259 HE1 HIS 33 HE1 HIS 33 -7.350 8.360 -1.017 260 H ILE 34 H ILE 34 -6.462 2.595 3.122 261 HA ILE 34 HA ILE 34 -8.561 0.508 3.467 262 HB ILE 34 HB ILE 34 -5.577 0.271 2.978 263 HG12 ILE 34 HG12 ILE 34 -7.970 -0.572 1.258 264 HG13 ILE 34 HG13 ILE 34 -7.089 0.928 1.014 265 HG21 ILE 34 HG21 ILE 34 -7.649 -1.970 3.271 266 HG22 ILE 34 HG22 ILE 34 -5.934 -2.169 2.944 267 HG23 ILE 34 HG23 ILE 34 -6.438 -1.574 4.505 268 HD11 ILE 34 HD11 ILE 34 -5.020 -0.264 0.567 269 HD12 ILE 34 HD12 ILE 34 -5.866 -1.824 0.744 270 HD13 ILE 34 HD13 ILE 34 -6.319 -0.720 -0.553 271 HA PRO 35 HA PRO 35 -7.798 1.100 7.832 272 HB2 PRO 35 HB2 PRO 35 -8.934 -1.150 8.861 273 HB3 PRO 35 HB3 PRO 35 -9.911 0.176 8.138 274 HG2 PRO 35 HG2 PRO 35 -8.998 -2.424 6.833 275 HG3 PRO 35 HG3 PRO 35 -10.644 -1.701 6.840 276 HD2 PRO 35 HD2 PRO 35 -8.893 -1.442 4.807 277 HD3 PRO 35 HD3 PRO 35 -9.962 -0.125 5.265 278 H GLU 36 H GLU 36 -6.875 -1.969 6.360 279 HA GLU 36 HA GLU 36 -5.228 -2.893 8.507 280 HB2 GLU 36 HB2 GLU 36 -5.470 -3.888 5.682 281 HB3 GLU 36 HB3 GLU 36 -4.647 -4.714 7.006 282 HG2 GLU 36 HG2 GLU 36 -7.531 -3.942 6.931 283 HG3 GLU 36 HG3 GLU 36 -6.940 -5.562 6.608 284 H ALA 37 H ALA 37 -4.648 -0.180 6.949 285 HA ALA 37 HA ALA 37 -1.808 -0.617 6.255 286 HB1 ALA 37 HB1 ALA 37 -3.618 1.483 4.990 287 HB2 ALA 37 HB2 ALA 37 -2.084 0.828 4.380 288 HB3 ALA 37 HB3 ALA 37 -3.552 -0.139 4.312 289 H ASP 38 H ASP 38 -0.749 1.688 6.133 290 HA ASP 38 HA ASP 38 -1.603 3.225 8.581 291 HB2 ASP 38 HB2 ASP 38 0.469 1.941 9.039 292 HB3 ASP 38 HB3 ASP 38 1.261 2.744 7.701 293 H LEU 39 H LEU 39 1.015 4.338 6.681 294 HA LEU 39 HA LEU 39 -0.130 5.587 4.460 295 HB2 LEU 39 HB2 LEU 39 -1.557 6.952 5.910 296 HB3 LEU 39 HB3 LEU 39 -0.166 7.387 6.907 297 HG LEU 39 HG LEU 39 0.790 8.685 5.059 298 HD11 LEU 39 HD11 LEU 39 -1.654 7.792 3.480 299 HD12 LEU 39 HD12 LEU 39 0.025 7.453 3.073 300 HD13 LEU 39 HD13 LEU 39 -0.577 9.105 2.982 301 HD21 LEU 39 HD21 LEU 39 -0.862 10.484 4.961 302 HD22 LEU 39 HD22 LEU 39 -0.758 9.808 6.585 303 HD23 LEU 39 HD23 LEU 39 -2.126 9.381 5.530 304 H ALA 40 H ALA 40 1.628 6.072 3.252 305 HA ALA 40 HA ALA 40 3.914 7.452 4.348 306 HB1 ALA 40 HB1 ALA 40 4.885 4.898 3.179 307 HB2 ALA 40 HB2 ALA 40 5.522 5.915 4.460 308 HB3 ALA 40 HB3 ALA 40 4.191 4.810 4.815 309 HA PRO 41 HA PRO 41 2.614 8.150 -0.021 310 HB2 PRO 41 HB2 PRO 41 3.049 10.904 -0.037 311 HB3 PRO 41 HB3 PRO 41 1.524 10.145 0.534 312 HG2 PRO 41 HG2 PRO 41 3.835 11.120 2.160 313 HG3 PRO 41 HG3 PRO 41 2.103 11.328 2.469 314 HD2 PRO 41 HD2 PRO 41 3.588 9.431 3.722 315 HD3 PRO 41 HD3 PRO 41 1.888 9.123 3.267 316 H LEU 42 H LEU 42 3.871 8.477 -1.827 317 HA LEU 42 HA LEU 42 6.544 7.882 -1.643 318 HB2 LEU 42 HB2 LEU 42 4.774 8.263 -3.705 319 HB3 LEU 42 HB3 LEU 42 5.910 9.539 -4.011 320 HG LEU 42 HG LEU 42 6.931 8.015 -5.238 321 HD11 LEU 42 HD11 LEU 42 8.811 6.884 -4.311 322 HD12 LEU 42 HD12 LEU 42 8.070 6.794 -2.705 323 HD13 LEU 42 HD13 LEU 42 8.563 8.354 -3.367 324 HD21 LEU 42 HD21 LEU 42 6.777 5.579 -5.009 325 HD22 LEU 42 HD22 LEU 42 5.170 6.299 -4.867 326 HD23 LEU 42 HD23 LEU 42 6.012 5.749 -3.413 327 H SER 43 H SER 43 5.036 11.045 -1.695 328 HA SER 43 HA SER 43 7.142 12.710 -2.268 329 HB2 SER 43 HB2 SER 43 4.558 13.122 -1.595 330 HB3 SER 43 HB3 SER 43 5.271 13.508 -0.027 331 HG SER 43 HG SER 43 5.724 15.353 -0.847 332 H VAL 44 H VAL 44 6.382 11.086 0.809 333 HA VAL 44 HA VAL 44 8.562 12.460 2.251 334 HB VAL 44 HB VAL 44 6.646 10.246 3.104 335 HG11 VAL 44 HG11 VAL 44 8.618 11.935 4.719 336 HG12 VAL 44 HG12 VAL 44 7.332 10.931 5.426 337 HG13 VAL 44 HG13 VAL 44 8.643 10.168 4.524 338 HG21 VAL 44 HG21 VAL 44 5.544 12.457 2.593 339 HG22 VAL 44 HG22 VAL 44 5.480 12.034 4.301 340 HG23 VAL 44 HG23 VAL 44 6.655 13.236 3.718 341 H LEU 45 H LEU 45 7.878 9.224 0.913 342 HA LEU 45 HA LEU 45 10.135 7.847 1.895 343 HB2 LEU 45 HB2 LEU 45 8.261 7.572 -0.430 344 HB3 LEU 45 HB3 LEU 45 9.695 6.597 -0.455 345 HG LEU 45 HG LEU 45 7.526 5.610 0.524 346 HD11 LEU 45 HD11 LEU 45 9.763 4.550 0.661 347 HD12 LEU 45 HD12 LEU 45 8.703 4.173 2.034 348 HD13 LEU 45 HD13 LEU 45 9.992 5.374 2.220 349 HD21 LEU 45 HD21 LEU 45 7.132 5.828 2.895 350 HD22 LEU 45 HD22 LEU 45 6.866 7.372 2.079 351 HD23 LEU 45 HD23 LEU 45 8.340 7.108 3.040 352 H GLU 46 H GLU 46 9.778 9.652 -1.170 353 HA GLU 46 HA GLU 46 12.377 9.120 -2.199 354 HB2 GLU 46 HB2 GLU 46 10.280 11.220 -2.650 355 HB3 GLU 46 HB3 GLU 46 11.851 11.404 -3.414 356 HG2 GLU 46 HG2 GLU 46 10.715 8.666 -3.685 357 HG3 GLU 46 HG3 GLU 46 9.723 9.930 -4.399 358 H GLN 47 H GLN 47 11.307 11.416 0.219 359 HA GLN 47 HA GLN 47 13.839 12.971 0.134 360 HB2 GLN 47 HB2 GLN 47 11.208 13.368 1.632 361 HB3 GLN 47 HB3 GLN 47 12.636 14.386 1.822 362 HG2 GLN 47 HG2 GLN 47 12.500 15.022 -0.574 363 HG3 GLN 47 HG3 GLN 47 11.035 14.047 -0.743 364 HE21 GLN 47 HE21 GLN 47 9.143 14.662 0.565 365 HE22 GLN 47 HE22 GLN 47 9.078 16.200 1.426 366 H SER 48 H SER 48 11.778 11.900 2.802 367 HA SER 48 HA SER 48 14.011 11.684 4.636 368 HB2 SER 48 HB2 SER 48 11.578 12.656 4.970 369 HB3 SER 48 HB3 SER 48 11.108 10.968 5.221 370 HG SER 48 HG SER 48 13.116 12.445 6.573 371 H GLY 49 H GLY 49 11.400 9.466 3.519 372 HA2 GLY 49 HA2 GLY 49 12.078 7.237 2.731 373 HA3 GLY 49 HA3 GLY 49 13.201 7.146 4.076 374 H LEU 50 H LEU 50 11.730 5.086 4.044 375 HA LEU 50 HA LEU 50 9.107 5.237 5.171 376 HB2 LEU 50 HB2 LEU 50 10.144 3.332 3.789 377 HB3 LEU 50 HB3 LEU 50 11.105 2.935 5.212 378 HG LEU 50 HG LEU 50 8.863 2.703 6.472 379 HD11 LEU 50 HD11 LEU 50 7.760 2.527 3.630 380 HD12 LEU 50 HD12 LEU 50 7.403 3.841 4.769 381 HD13 LEU 50 HD13 LEU 50 6.886 2.190 5.134 382 HD21 LEU 50 HD21 LEU 50 8.548 0.405 5.622 383 HD22 LEU 50 HD22 LEU 50 10.270 0.797 5.738 384 HD23 LEU 50 HD23 LEU 50 9.464 0.796 4.161 385 HA PRO 51 HA PRO 51 10.527 5.880 9.358 386 HB2 PRO 51 HB2 PRO 51 8.288 5.367 10.846 387 HB3 PRO 51 HB3 PRO 51 8.468 6.825 9.811 388 HG2 PRO 51 HG2 PRO 51 7.063 4.223 9.170 389 HG3 PRO 51 HG3 PRO 51 6.469 5.889 8.929 390 HD2 PRO 51 HD2 PRO 51 7.616 4.406 6.932 391 HD3 PRO 51 HD3 PRO 51 7.836 6.160 6.989 392 H ALA 52 H ALA 52 11.124 4.754 11.228 393 HA ALA 52 HA ALA 52 11.868 2.080 10.945 394 HB1 ALA 52 HB1 ALA 52 12.442 2.183 13.335 395 HB2 ALA 52 HB2 ALA 52 12.998 3.612 12.438 396 HB3 ALA 52 HB3 ALA 52 11.547 3.714 13.466 397 H LYS 53 H LYS 53 8.766 3.269 11.771 398 HA LYS 53 HA LYS 53 7.827 0.986 13.367 399 HB2 LYS 53 HB2 LYS 53 6.315 3.191 11.890 400 HB3 LYS 53 HB3 LYS 53 5.623 2.102 13.078 401 HG2 LYS 53 HG2 LYS 53 7.729 4.232 13.575 402 HG3 LYS 53 HG3 LYS 53 6.016 4.334 13.996 403 HD2 LYS 53 HD2 LYS 53 6.314 2.384 15.546 404 HD3 LYS 53 HD3 LYS 53 8.051 2.404 15.209 405 HE2 LYS 53 HE2 LYS 53 6.393 4.641 16.455 406 HE3 LYS 53 HE3 LYS 53 7.542 3.590 17.291 407 HZ1 LYS 53 HZ1 LYS 53 9.309 4.569 15.873 408 HZ2 LYS 53 HZ2 LYS 53 8.595 5.644 16.842 409 HZ3 LYS 53 HZ3 LYS 53 8.200 5.632 15.254 410 H LEU 54 H LEU 54 7.619 2.107 9.961 411 HA LEU 54 HA LEU 54 5.909 -0.192 9.277 412 HB2 LEU 54 HB2 LEU 54 6.849 2.233 7.720 413 HB3 LEU 54 HB3 LEU 54 5.812 0.981 7.052 414 HG LEU 54 HG LEU 54 5.112 2.674 9.477 415 HD11 LEU 54 HD11 LEU 54 3.553 3.851 8.014 416 HD12 LEU 54 HD12 LEU 54 4.060 2.859 6.635 417 HD13 LEU 54 HD13 LEU 54 5.191 4.001 7.380 418 HD21 LEU 54 HD21 LEU 54 3.971 0.483 9.546 419 HD22 LEU 54 HD22 LEU 54 3.407 0.721 7.869 420 HD23 LEU 54 HD23 LEU 54 2.847 1.763 9.198 421 H ARG 55 H ARG 55 9.218 0.264 9.269 422 HA ARG 55 HA ARG 55 9.966 -1.125 6.873 423 HB2 ARG 55 HB2 ARG 55 12.224 -1.271 7.983 424 HB3 ARG 55 HB3 ARG 55 11.544 0.356 8.042 425 HG2 ARG 55 HG2 ARG 55 11.066 0.276 10.228 426 HG3 ARG 55 HG3 ARG 55 10.833 -1.455 10.352 427 HD2 ARG 55 HD2 ARG 55 13.579 -0.364 9.873 428 HD3 ARG 55 HD3 ARG 55 12.870 -0.325 11.493 429 HE ARG 55 HE ARG 55 13.907 -2.595 10.039 430 HH11 ARG 55 HH11 ARG 55 11.664 -1.759 12.730 431 HH12 ARG 55 HH12 ARG 55 12.276 -3.070 13.705 432 HH21 ARG 55 HH21 ARG 55 14.318 -4.466 11.252 433 HH22 ARG 55 HH22 ARG 55 13.583 -4.689 12.810 434 H HIS 56 H HIS 56 8.055 -2.552 8.544 435 HA HIS 56 HA HIS 56 9.115 -4.815 9.839 436 HB2 HIS 56 HB2 HIS 56 6.561 -3.968 9.385 437 HB3 HIS 56 HB3 HIS 56 6.631 -5.270 8.236 438 HD1 HIS 56 HD1 HIS 56 5.797 -7.484 9.345 439 HD2 HIS 56 HD2 HIS 56 7.758 -4.873 11.982 440 HE1 HIS 56 HE1 HIS 56 5.766 -8.633 11.587 441 H GLU 57 H GLU 57 9.019 -7.031 9.177 442 HA GLU 57 HA GLU 57 10.867 -7.970 7.568 443 HB2 GLU 57 HB2 GLU 57 8.164 -9.339 7.847 444 HB3 GLU 57 HB3 GLU 57 9.731 -10.117 7.608 445 HG2 GLU 57 HG2 GLU 57 10.457 -9.355 9.844 446 HG3 GLU 57 HG3 GLU 57 8.924 -8.524 10.097 447 H GLN 58 H GLN 58 7.534 -7.510 6.413 448 HA GLN 58 HA GLN 58 8.464 -7.213 3.626 449 HB2 GLN 58 HB2 GLN 58 6.259 -9.208 4.343 450 HB3 GLN 58 HB3 GLN 58 6.850 -8.798 2.734 451 HG2 GLN 58 HG2 GLN 58 9.141 -9.732 3.529 452 HG3 GLN 58 HG3 GLN 58 8.251 -10.385 4.899 453 HE21 GLN 58 HE21 GLN 58 6.516 -12.033 4.370 454 HE22 GLN 58 HE22 GLN 58 6.712 -12.942 2.877 455 H ILE 59 H ILE 59 7.286 -5.666 2.558 456 HA ILE 59 HA ILE 59 4.656 -5.016 3.698 457 HB ILE 59 HB ILE 59 5.050 -2.831 3.957 458 HG12 ILE 59 HG12 ILE 59 7.540 -2.966 2.256 459 HG13 ILE 59 HG13 ILE 59 5.984 -2.370 1.687 460 HG21 ILE 59 HG21 ILE 59 6.473 -4.190 5.590 461 HG22 ILE 59 HG22 ILE 59 7.871 -3.767 4.592 462 HG23 ILE 59 HG23 ILE 59 6.931 -2.513 5.397 463 HD11 ILE 59 HD11 ILE 59 7.510 -1.045 3.946 464 HD12 ILE 59 HD12 ILE 59 7.514 -0.548 2.270 465 HD13 ILE 59 HD13 ILE 59 5.978 -0.519 3.175 466 H ILE 60 H ILE 60 3.425 -3.662 2.255 467 HA ILE 60 HA ILE 60 3.900 -4.325 -0.625 468 HB ILE 60 HB ILE 60 1.283 -4.477 0.912 469 HG12 ILE 60 HG12 ILE 60 2.412 -6.874 -0.503 470 HG13 ILE 60 HG13 ILE 60 3.168 -6.468 1.022 471 HG21 ILE 60 HG21 ILE 60 0.409 -5.463 -1.247 472 HG22 ILE 60 HG22 ILE 60 0.875 -3.767 -1.396 473 HG23 ILE 60 HG23 ILE 60 1.959 -5.040 -2.011 474 HD11 ILE 60 HD11 ILE 60 1.040 -6.555 2.188 475 HD12 ILE 60 HD12 ILE 60 0.200 -6.948 0.668 476 HD13 ILE 60 HD13 ILE 60 1.391 -8.080 1.347 477 H PHE 61 H PHE 61 3.378 -2.769 -2.042 478 HA PHE 61 HA PHE 61 2.624 -0.082 -0.997 479 HB2 PHE 61 HB2 PHE 61 4.376 -0.941 -3.339 480 HB3 PHE 61 HB3 PHE 61 3.849 0.708 -3.066 481 HD1 PHE 61 HD1 PHE 61 4.193 0.881 -0.047 482 HD2 PHE 61 HD2 PHE 61 6.790 -0.752 -3.086 483 HE1 PHE 61 HE1 PHE 61 6.147 1.335 1.370 484 HE2 PHE 61 HE2 PHE 61 8.751 -0.159 -1.689 485 HZ PHE 61 HZ PHE 61 8.436 0.870 0.530 486 H HIS 62 H HIS 62 0.661 0.610 -1.648 487 HA HIS 62 HA HIS 62 -0.565 -0.617 -4.031 488 HB2 HIS 62 HB2 HIS 62 -1.324 -1.487 -1.778 489 HB3 HIS 62 HB3 HIS 62 -1.918 0.132 -1.409 490 HD1 HIS 62 HD1 HIS 62 -2.653 -0.748 -4.985 491 HD2 HIS 62 HD2 HIS 62 -4.211 -1.623 -1.176 492 HE1 HIS 62 HE1 HIS 62 -4.967 -1.694 -5.342 493 H CYS 63 H CYS 63 -1.465 0.841 -5.426 494 HA CYS 63 HA CYS 63 -1.693 3.678 -4.646 495 HB2 CYS 63 HB2 CYS 63 -0.805 4.409 -6.683 496 HB3 CYS 63 HB3 CYS 63 0.326 3.235 -6.020 497 HG CYS 63 HG CYS 63 -0.347 1.218 -7.538 498 H GLN 64 H GLN 64 -2.977 4.563 -7.048 499 HA GLN 64 HA GLN 64 -5.645 3.660 -6.422 500 HB2 GLN 64 HB2 GLN 64 -5.173 5.952 -7.057 501 HB3 GLN 64 HB3 GLN 64 -4.661 5.449 -8.672 502 HG2 GLN 64 HG2 GLN 64 -6.914 4.733 -9.238 503 HG3 GLN 64 HG3 GLN 64 -7.456 4.975 -7.573 504 HE21 GLN 64 HE21 GLN 64 -7.045 6.554 -10.663 505 HE22 GLN 64 HE22 GLN 64 -7.235 8.199 -10.106 506 H ALA 65 H ALA 65 -3.354 2.932 -9.059 507 HA ALA 65 HA ALA 65 -4.880 0.544 -9.779 508 HB1 ALA 65 HB1 ALA 65 -5.988 1.941 -11.285 509 HB2 ALA 65 HB2 ALA 65 -4.557 2.868 -11.675 510 HB3 ALA 65 HB3 ALA 65 -4.719 1.187 -12.256 511 H GLY 66 H GLY 66 -2.468 2.214 -11.685 512 HA2 GLY 66 HA2 GLY 66 -0.253 0.538 -10.571 513 HA3 GLY 66 HA3 GLY 66 -0.670 0.328 -12.265 514 H LYS 67 H LYS 67 -1.130 3.578 -11.494 515 HA LYS 67 HA LYS 67 1.029 4.497 -13.104 516 HB2 LYS 67 HB2 LYS 67 -1.061 5.760 -12.861 517 HB3 LYS 67 HB3 LYS 67 -0.780 5.952 -11.120 518 HG2 LYS 67 HG2 LYS 67 1.093 7.403 -11.489 519 HG3 LYS 67 HG3 LYS 67 1.046 7.112 -13.231 520 HD2 LYS 67 HD2 LYS 67 -1.165 8.181 -13.382 521 HD3 LYS 67 HD3 LYS 67 -1.225 8.404 -11.619 522 HE2 LYS 67 HE2 LYS 67 0.902 9.588 -13.454 523 HE3 LYS 67 HE3 LYS 67 -0.554 10.447 -12.972 524 HZ1 LYS 67 HZ1 LYS 67 1.468 10.902 -11.618 525 HZ2 LYS 67 HZ2 LYS 67 1.408 9.404 -11.001 526 HZ3 LYS 67 HZ3 LYS 67 0.166 10.444 -10.714 527 H ARG 68 H ARG 68 0.596 4.575 -9.516 528 HA ARG 68 HA ARG 68 3.240 5.819 -9.358 529 HB2 ARG 68 HB2 ARG 68 1.251 6.537 -8.003 530 HB3 ARG 68 HB3 ARG 68 1.536 5.113 -6.981 531 HG2 ARG 68 HG2 ARG 68 3.772 5.874 -6.455 532 HG3 ARG 68 HG3 ARG 68 3.713 7.160 -7.654 533 HD2 ARG 68 HD2 ARG 68 1.845 7.030 -5.270 534 HD3 ARG 68 HD3 ARG 68 3.384 7.914 -5.281 535 HE ARG 68 HE ARG 68 1.914 8.722 -7.542 536 HH11 ARG 68 HH11 ARG 68 1.729 8.984 -3.981 537 HH12 ARG 68 HH12 ARG 68 0.785 10.440 -4.024 538 HH21 ARG 68 HH21 ARG 68 0.449 10.537 -7.541 539 HH22 ARG 68 HH22 ARG 68 0.013 11.274 -6.029 540 H THR 69 H THR 69 1.939 2.482 -8.743 541 HA THR 69 HA THR 69 4.422 1.682 -7.487 542 HB THR 69 HB THR 69 3.332 -0.601 -8.059 543 HG1 THR 69 HG1 THR 69 1.737 -0.401 -9.311 544 HG21 THR 69 HG21 THR 69 3.261 0.634 -5.802 545 HG22 THR 69 HG22 THR 69 1.986 -0.540 -6.121 546 HG23 THR 69 HG23 THR 69 1.645 1.191 -6.287 547 H SER 70 H SER 70 5.652 -0.212 -8.592 548 HA SER 70 HA SER 70 7.188 -0.717 -10.152 549 HB2 SER 70 HB2 SER 70 4.689 -0.606 -11.869 550 HB3 SER 70 HB3 SER 70 6.178 -1.484 -12.268 551 HG SER 70 HG SER 70 4.401 -2.678 -11.152 552 H ASN 71 H ASN 71 6.619 2.232 -9.823 553 HA ASN 71 HA ASN 71 7.875 3.219 -12.394 554 HB2 ASN 71 HB2 ASN 71 5.860 4.481 -10.545 555 HB3 ASN 71 HB3 ASN 71 7.005 5.498 -11.406 556 HD21 ASN 71 HD21 ASN 71 4.832 2.693 -12.225 557 HD22 ASN 71 HD22 ASN 71 4.416 3.396 -13.783 558 H ASN 72 H ASN 72 8.342 3.125 -8.932 559 HA ASN 72 HA ASN 72 10.969 4.518 -9.215 560 HB2 ASN 72 HB2 ASN 72 8.930 4.905 -6.973 561 HB3 ASN 72 HB3 ASN 72 10.626 5.310 -6.772 562 HD21 ASN 72 HD21 ASN 72 8.517 7.150 -6.473 563 HD22 ASN 72 HD22 ASN 72 8.914 8.455 -7.544 564 H ALA 73 H ALA 73 10.067 1.594 -9.246 565 HA ALA 73 HA ALA 73 10.411 0.248 -6.890 566 HB1 ALA 73 HB1 ALA 73 9.667 -0.720 -9.047 567 HB2 ALA 73 HB2 ALA 73 11.344 -0.600 -9.642 568 HB3 ALA 73 HB3 ALA 73 10.962 -1.651 -8.282 569 H ASP 74 H ASP 74 13.056 1.760 -8.873 570 HA ASP 74 HA ASP 74 15.182 0.338 -7.734 571 HB2 ASP 74 HB2 ASP 74 14.693 2.885 -9.269 572 HB3 ASP 74 HB3 ASP 74 16.176 2.792 -8.383 573 H LYS 75 H LYS 75 14.181 3.696 -7.020 574 HA LYS 75 HA LYS 75 15.615 3.863 -4.577 575 HB2 LYS 75 HB2 LYS 75 14.173 5.656 -3.903 576 HB3 LYS 75 HB3 LYS 75 15.163 5.891 -5.346 577 HG2 LYS 75 HG2 LYS 75 12.255 5.167 -5.358 578 HG3 LYS 75 HG3 LYS 75 12.932 6.779 -5.181 579 HD2 LYS 75 HD2 LYS 75 14.293 5.705 -7.415 580 HD3 LYS 75 HD3 LYS 75 12.633 5.158 -7.586 581 HE2 LYS 75 HE2 LYS 75 11.978 7.677 -7.147 582 HE3 LYS 75 HE3 LYS 75 13.701 8.020 -7.141 583 HZ1 LYS 75 HZ1 LYS 75 12.032 7.232 -9.415 584 HZ2 LYS 75 HZ2 LYS 75 13.689 7.028 -9.452 585 HZ3 LYS 75 HZ3 LYS 75 13.056 8.518 -9.242 586 H LEU 76 H LEU 76 12.260 3.119 -5.206 587 HA LEU 76 HA LEU 76 11.427 2.783 -2.492 588 HB2 LEU 76 HB2 LEU 76 10.443 1.311 -4.955 589 HB3 LEU 76 HB3 LEU 76 9.753 1.057 -3.365 590 HG LEU 76 HG LEU 76 9.744 3.702 -4.873 591 HD11 LEU 76 HD11 LEU 76 7.344 3.305 -5.045 592 HD12 LEU 76 HD12 LEU 76 7.482 1.817 -4.092 593 HD13 LEU 76 HD13 LEU 76 8.228 1.890 -5.701 594 HD21 LEU 76 HD21 LEU 76 8.130 4.359 -2.993 595 HD22 LEU 76 HD22 LEU 76 9.838 4.291 -2.552 596 HD23 LEU 76 HD23 LEU 76 8.754 2.955 -2.103 597 H ALA 77 H ALA 77 12.874 0.248 -4.626 598 HA ALA 77 HA ALA 77 12.756 -1.837 -2.715 599 HB1 ALA 77 HB1 ALA 77 13.290 -2.303 -5.016 600 HB2 ALA 77 HB2 ALA 77 14.793 -1.365 -4.913 601 HB3 ALA 77 HB3 ALA 77 14.608 -2.871 -3.993 602 H ALA 78 H ALA 78 15.051 0.871 -2.987 603 HA ALA 78 HA ALA 78 16.948 -0.284 -1.074 604 HB1 ALA 78 HB1 ALA 78 18.126 1.840 -1.403 605 HB2 ALA 78 HB2 ALA 78 17.637 1.180 -2.980 606 HB3 ALA 78 HB3 ALA 78 16.742 2.529 -2.262 607 H ILE 79 H ILE 79 14.561 2.372 -1.125 608 HA ILE 79 HA ILE 79 15.047 3.370 1.446 609 HB ILE 79 HB ILE 79 12.474 3.439 -0.164 610 HG12 ILE 79 HG12 ILE 79 14.351 5.779 0.225 611 HG13 ILE 79 HG13 ILE 79 14.723 4.622 -1.036 612 HG21 ILE 79 HG21 ILE 79 12.026 5.505 1.285 613 HG22 ILE 79 HG22 ILE 79 11.934 3.959 2.147 614 HG23 ILE 79 HG23 ILE 79 13.374 4.987 2.311 615 HD11 ILE 79 HD11 ILE 79 12.067 6.125 -0.826 616 HD12 ILE 79 HD12 ILE 79 13.419 6.555 -1.883 617 HD13 ILE 79 HD13 ILE 79 12.549 5.023 -2.116 618 H ALA 80 H ALA 80 12.724 0.803 0.460 619 HA ALA 80 HA ALA 80 11.579 0.592 3.104 620 HB1 ALA 80 HB1 ALA 80 10.389 -1.313 2.177 621 HB2 ALA 80 HB2 ALA 80 10.433 -0.041 0.939 622 HB3 ALA 80 HB3 ALA 80 11.541 -1.420 0.836 623 H ALA 81 H ALA 81 14.301 -1.027 1.536 624 HA ALA 81 HA ALA 81 14.627 -3.308 2.955 625 HB1 ALA 81 HB1 ALA 81 16.976 -3.162 2.318 626 HB2 ALA 81 HB2 ALA 81 16.002 -2.453 1.020 627 HB3 ALA 81 HB3 ALA 81 16.860 -1.396 2.154 628 HA PRO 82 HA PRO 82 16.294 -4.675 3.835 629 HB2 PRO 82 HB2 PRO 82 16.831 -6.150 6.037 630 HB3 PRO 82 HB3 PRO 82 18.034 -5.041 5.313 631 HG2 PRO 82 HG2 PRO 82 16.261 -4.632 7.733 632 HG3 PRO 82 HG3 PRO 82 17.974 -4.196 7.523 633 HD2 PRO 82 HD2 PRO 82 15.820 -2.426 7.181 634 HD3 PRO 82 HD3 PRO 82 17.423 -2.214 6.434 635 H ALA 83 H ALA 83 14.348 -5.422 3.130 636 HA ALA 83 HA ALA 83 12.540 -6.955 4.717 637 HB1 ALA 83 HB1 ALA 83 11.776 -4.648 5.397 638 HB2 ALA 83 HB2 ALA 83 11.623 -4.225 3.672 639 HB3 ALA 83 HB3 ALA 83 10.566 -5.453 4.396 640 H GLU 84 H GLU 84 10.407 -6.763 2.982 641 HA GLU 84 HA GLU 84 11.472 -7.149 0.226 642 HB2 GLU 84 HB2 GLU 84 9.412 -8.886 1.629 643 HB3 GLU 84 HB3 GLU 84 9.787 -8.938 -0.087 644 HG2 GLU 84 HG2 GLU 84 12.190 -9.371 0.500 645 HG3 GLU 84 HG3 GLU 84 11.697 -9.612 2.187 646 H ILE 85 H ILE 85 10.098 -6.315 -1.355 647 HA ILE 85 HA ILE 85 7.745 -4.813 -0.398 648 HB ILE 85 HB ILE 85 8.383 -3.121 -2.208 649 HG12 ILE 85 HG12 ILE 85 10.451 -4.473 -2.961 650 HG13 ILE 85 HG13 ILE 85 10.541 -2.722 -2.838 651 HG21 ILE 85 HG21 ILE 85 9.595 -1.814 -0.472 652 HG22 ILE 85 HG22 ILE 85 8.070 -2.559 0.049 653 HG23 ILE 85 HG23 ILE 85 9.621 -3.271 0.544 654 HD11 ILE 85 HD11 ILE 85 12.542 -3.983 -1.948 655 HD12 ILE 85 HD12 ILE 85 11.838 -2.820 -0.818 656 HD13 ILE 85 HD13 ILE 85 11.515 -4.543 -0.612 657 H PHE 86 H PHE 86 5.933 -5.154 -1.508 658 HA PHE 86 HA PHE 86 6.180 -6.389 -4.210 659 HB2 PHE 86 HB2 PHE 86 4.039 -6.859 -2.115 660 HB3 PHE 86 HB3 PHE 86 4.133 -7.587 -3.720 661 HD1 PHE 86 HD1 PHE 86 5.719 -7.484 -0.351 662 HD2 PHE 86 HD2 PHE 86 5.538 -9.493 -4.159 663 HE1 PHE 86 HE1 PHE 86 7.290 -9.202 0.477 664 HE2 PHE 86 HE2 PHE 86 7.068 -11.249 -3.298 665 HZ PHE 86 HZ PHE 86 8.024 -11.052 -1.004 666 H LEU 87 H LEU 87 4.834 -5.609 -5.793 667 HA LEU 87 HA LEU 87 3.471 -3.019 -5.203 668 HB2 LEU 87 HB2 LEU 87 4.419 -4.253 -7.829 669 HB3 LEU 87 HB3 LEU 87 3.587 -2.733 -7.657 670 HG LEU 87 HG LEU 87 5.811 -2.201 -8.001 671 HD11 LEU 87 HD11 LEU 87 4.796 -0.943 -6.094 672 HD12 LEU 87 HD12 LEU 87 6.573 -1.002 -6.053 673 HD13 LEU 87 HD13 LEU 87 5.615 -2.047 -4.982 674 HD21 LEU 87 HD21 LEU 87 6.848 -4.005 -5.796 675 HD22 LEU 87 HD22 LEU 87 7.755 -3.045 -6.979 676 HD23 LEU 87 HD23 LEU 87 6.807 -4.435 -7.519 677 H LEU 88 H LEU 88 1.399 -3.450 -4.644 678 HA LEU 88 HA LEU 88 -0.039 -5.797 -5.439 679 HB2 LEU 88 HB2 LEU 88 -0.457 -4.052 -3.501 680 HB3 LEU 88 HB3 LEU 88 -1.471 -3.238 -4.691 681 HG LEU 88 HG LEU 88 -1.728 -6.197 -3.935 682 HD11 LEU 88 HD11 LEU 88 -3.332 -3.848 -2.873 683 HD12 LEU 88 HD12 LEU 88 -2.114 -4.761 -1.955 684 HD13 LEU 88 HD13 LEU 88 -3.602 -5.553 -2.499 685 HD21 LEU 88 HD21 LEU 88 -4.071 -5.908 -4.805 686 HD22 LEU 88 HD22 LEU 88 -2.841 -5.770 -6.054 687 HD23 LEU 88 HD23 LEU 88 -3.617 -4.307 -5.395 688 H GLU 89 H GLU 89 -0.880 -6.273 -7.413 689 HA GLU 89 HA GLU 89 -0.500 -4.363 -9.527 690 HB2 GLU 89 HB2 GLU 89 -0.144 -6.877 -9.643 691 HB3 GLU 89 HB3 GLU 89 -1.912 -7.043 -9.752 692 HG2 GLU 89 HG2 GLU 89 -1.864 -5.469 -11.731 693 HG3 GLU 89 HG3 GLU 89 -0.101 -5.417 -11.608 694 H ASP 90 H ASP 90 -3.607 -5.904 -8.397 695 HA ASP 90 HA ASP 90 -4.996 -4.172 -10.209 696 HB2 ASP 90 HB2 ASP 90 -5.827 -6.422 -9.152 697 HB3 ASP 90 HB3 ASP 90 -6.455 -5.372 -7.870 698 H GLY 91 H GLY 91 -6.492 -2.442 -9.620 699 HA2 GLY 91 HA2 GLY 91 -5.203 -0.527 -7.828 700 HA3 GLY 91 HA3 GLY 91 -6.583 -0.255 -8.862 701 H ILE 92 H ILE 92 -6.277 0.669 -6.162 702 HA ILE 92 HA ILE 92 -7.573 -0.905 -4.229 703 HB ILE 92 HB ILE 92 -6.153 1.100 -3.955 704 HG12 ILE 92 HG12 ILE 92 -7.689 -0.002 -2.194 705 HG13 ILE 92 HG13 ILE 92 -6.805 1.465 -1.855 706 HG21 ILE 92 HG21 ILE 92 -6.941 3.309 -4.157 707 HG22 ILE 92 HG22 ILE 92 -7.369 2.511 -5.661 708 HG23 ILE 92 HG23 ILE 92 -8.619 2.800 -4.458 709 HD11 ILE 92 HD11 ILE 92 -9.772 1.365 -2.538 710 HD12 ILE 92 HD12 ILE 92 -9.071 1.512 -0.920 711 HD13 ILE 92 HD13 ILE 92 -8.835 2.808 -2.100 712 H ASP 93 H ASP 93 -8.790 0.750 -6.953 713 HA ASP 93 HA ASP 93 -11.502 1.275 -6.360 714 HB2 ASP 93 HB2 ASP 93 -10.073 1.896 -8.368 715 HB3 ASP 93 HB3 ASP 93 -10.348 0.249 -8.973 716 H GLY 94 H GLY 94 -9.750 -1.634 -7.462 717 HA2 GLY 94 HA2 GLY 94 -11.974 -3.448 -7.443 718 HA3 GLY 94 HA3 GLY 94 -10.278 -3.792 -7.788 719 H TRP 95 H TRP 95 -9.616 -2.435 -5.048 720 HA TRP 95 HA TRP 95 -9.296 -4.730 -3.402 721 HB2 TRP 95 HB2 TRP 95 -8.051 -2.696 -3.044 722 HB3 TRP 95 HB3 TRP 95 -9.511 -1.797 -2.667 723 HD1 TRP 95 HD1 TRP 95 -10.661 -2.128 -0.296 724 HE1 TRP 95 HE1 TRP 95 -9.756 -2.858 1.924 725 HE3 TRP 95 HE3 TRP 95 -6.290 -4.155 -1.934 726 HZ2 TRP 95 HZ2 TRP 95 -7.459 -4.443 2.903 727 HZ3 TRP 95 HZ3 TRP 95 -4.681 -5.194 -0.290 728 HH2 TRP 95 HH2 TRP 95 -5.303 -5.402 2.094 729 H LYS 96 H LYS 96 -11.668 -2.094 -3.240 730 HA LYS 96 HA LYS 96 -13.464 -3.231 -1.337 731 HB2 LYS 96 HB2 LYS 96 -13.936 -1.250 -3.604 732 HB3 LYS 96 HB3 LYS 96 -15.155 -1.649 -2.390 733 HG2 LYS 96 HG2 LYS 96 -13.791 -0.841 -0.590 734 HG3 LYS 96 HG3 LYS 96 -12.416 -0.511 -1.660 735 HD2 LYS 96 HD2 LYS 96 -15.095 0.774 -2.254 736 HD3 LYS 96 HD3 LYS 96 -14.136 1.390 -0.930 737 HE2 LYS 96 HE2 LYS 96 -13.655 2.699 -2.868 738 HE3 LYS 96 HE3 LYS 96 -12.211 1.797 -2.418 739 HZ1 LYS 96 HZ1 LYS 96 -12.685 1.911 -4.783 740 HZ2 LYS 96 HZ2 LYS 96 -14.041 0.989 -4.610 741 HZ3 LYS 96 HZ3 LYS 96 -12.547 0.360 -4.283 742 H LYS 97 H LYS 97 -13.477 -3.438 -4.935 743 HA LYS 97 HA LYS 97 -15.974 -4.784 -5.161 744 HB2 LYS 97 HB2 LYS 97 -13.512 -4.935 -6.928 745 HB3 LYS 97 HB3 LYS 97 -15.106 -5.533 -7.363 746 HG2 LYS 97 HG2 LYS 97 -14.649 -2.599 -6.740 747 HG3 LYS 97 HG3 LYS 97 -14.454 -3.302 -8.353 748 HD2 LYS 97 HD2 LYS 97 -16.816 -4.163 -8.232 749 HD3 LYS 97 HD3 LYS 97 -16.980 -3.368 -6.664 750 HE2 LYS 97 HE2 LYS 97 -17.991 -1.970 -8.319 751 HE3 LYS 97 HE3 LYS 97 -16.516 -1.164 -7.756 752 HZ1 LYS 97 HZ1 LYS 97 -16.889 -1.189 -10.211 753 HZ2 LYS 97 HZ2 LYS 97 -16.628 -2.813 -10.211 754 HZ3 LYS 97 HZ3 LYS 97 -15.427 -1.785 -9.762 755 H ALA 98 H ALA 98 -12.803 -6.047 -4.188 756 HA ALA 98 HA ALA 98 -13.508 -8.831 -4.723 757 HB1 ALA 98 HB1 ALA 98 -11.392 -7.694 -2.813 758 HB2 ALA 98 HB2 ALA 98 -11.546 -9.352 -3.387 759 HB3 ALA 98 HB3 ALA 98 -11.116 -8.069 -4.526 760 H GLY 99 H GLY 99 -14.241 -6.486 -2.280 761 HA2 GLY 99 HA2 GLY 99 -16.066 -6.852 -0.788 762 HA3 GLY 99 HA3 GLY 99 -15.494 -8.504 -0.510 763 H LEU 100 H LEU 100 -12.830 -6.349 -0.694 764 HA LEU 100 HA LEU 100 -12.304 -6.712 2.111 765 HB2 LEU 100 HB2 LEU 100 -10.805 -5.064 0.096 766 HB3 LEU 100 HB3 LEU 100 -10.214 -5.551 1.667 767 HG LEU 100 HG LEU 100 -10.845 -7.455 -0.625 768 HD11 LEU 100 HD11 LEU 100 -8.846 -6.128 -1.052 769 HD12 LEU 100 HD12 LEU 100 -8.397 -7.792 -0.668 770 HD13 LEU 100 HD13 LEU 100 -8.201 -6.540 0.563 771 HD21 LEU 100 HD21 LEU 100 -11.201 -8.765 1.268 772 HD22 LEU 100 HD22 LEU 100 -10.001 -7.895 2.233 773 HD23 LEU 100 HD23 LEU 100 -9.473 -9.029 0.951 774 HA PRO 101 HA PRO 101 -14.069 -2.890 3.554 775 HB2 PRO 101 HB2 PRO 101 -12.845 -2.584 5.966 776 HB3 PRO 101 HB3 PRO 101 -13.878 -4.002 5.611 777 HG2 PRO 101 HG2 PRO 101 -10.846 -3.831 5.379 778 HG3 PRO 101 HG3 PRO 101 -11.814 -5.044 6.282 779 HD2 PRO 101 HD2 PRO 101 -10.940 -5.481 3.713 780 HD3 PRO 101 HD3 PRO 101 -12.523 -6.088 4.291 781 H VAL 102 H VAL 102 -13.486 -0.675 4.462 782 HA VAL 102 HA VAL 102 -10.900 0.376 3.467 783 HB VAL 102 HB VAL 102 -12.349 2.458 2.875 784 HG11 VAL 102 HG11 VAL 102 -12.382 -0.016 1.090 785 HG12 VAL 102 HG12 VAL 102 -12.424 1.692 0.563 786 HG13 VAL 102 HG13 VAL 102 -10.974 1.025 1.322 787 HG21 VAL 102 HG21 VAL 102 -14.542 2.074 2.037 788 HG22 VAL 102 HG22 VAL 102 -14.477 0.346 2.437 789 HG23 VAL 102 HG23 VAL 102 -14.462 1.564 3.736 790 H ALA 103 H ALA 103 -10.322 2.414 4.362 791 HA ALA 103 HA ALA 103 -10.721 2.557 7.268 792 HB1 ALA 103 HB1 ALA 103 -8.956 4.340 7.104 793 HB2 ALA 103 HB2 ALA 103 -8.444 2.786 6.494 794 HB3 ALA 103 HB3 ALA 103 -8.890 4.070 5.354 795 H VAL 104 H VAL 104 -13.107 3.019 6.458 796 HA VAL 104 HA VAL 104 -13.555 5.917 5.973 797 HB VAL 104 HB VAL 104 -15.941 5.111 5.711 798 HG11 VAL 104 HG11 VAL 104 -14.690 5.490 3.766 799 HG12 VAL 104 HG12 VAL 104 -13.690 4.038 3.960 800 HG13 VAL 104 HG13 VAL 104 -15.413 3.902 3.518 801 HG21 VAL 104 HG21 VAL 104 -16.389 2.748 5.422 802 HG22 VAL 104 HG22 VAL 104 -14.714 2.318 5.736 803 HG23 VAL 104 HG23 VAL 104 -15.724 2.980 7.047 804 H ASN 105 H ASN 105 -15.685 6.603 7.336 805 HA ASN 105 HA ASN 105 -15.144 5.929 10.182 806 HB2 ASN 105 HB2 ASN 105 -14.462 8.295 9.578 807 HB3 ASN 105 HB3 ASN 105 -16.148 8.604 9.117 808 HD21 ASN 105 HD21 ASN 105 -14.367 6.981 11.913 809 HD22 ASN 105 HD22 ASN 105 -15.465 7.720 13.085 810 H LYS 106 H LYS 106 -16.885 4.894 11.071 811 HA LYS 106 HA LYS 106 -19.540 5.341 9.855 812 HB2 LYS 106 HB2 LYS 106 -18.153 3.519 8.658 813 HB3 LYS 106 HB3 LYS 106 -18.325 2.549 10.105 814 HG2 LYS 106 HG2 LYS 106 -20.710 3.671 8.598 815 HG3 LYS 106 HG3 LYS 106 -19.892 2.232 8.041 816 HD2 LYS 106 HD2 LYS 106 -20.508 0.921 9.832 817 HD3 LYS 106 HD3 LYS 106 -20.820 2.277 10.908 818 HE2 LYS 106 HE2 LYS 106 -22.466 1.739 8.406 819 HE3 LYS 106 HE3 LYS 106 -22.878 1.046 9.980 820 HZ1 LYS 106 HZ1 LYS 106 -22.663 3.958 9.481 821 HZ2 LYS 106 HZ2 LYS 106 -23.148 3.221 10.875 822 HZ3 LYS 106 HZ3 LYS 106 -24.061 3.105 9.508 823 H SER 107 H SER 107 -20.667 6.008 11.666 824 HA SER 107 HA SER 107 -20.010 4.961 14.287 825 HB2 SER 107 HB2 SER 107 -20.862 7.297 13.840 826 HB3 SER 107 HB3 SER 107 -22.455 6.586 13.485 827 HG SER 107 HG SER 107 -22.158 7.267 15.700 828 H GLN 108 H GLN 108 -21.575 3.709 15.596 829 HA GLN 108 HA GLN 108 -23.621 2.122 14.268 830 HB2 GLN 108 HB2 GLN 108 -21.223 0.911 15.729 831 HB3 GLN 108 HB3 GLN 108 -22.609 0.028 15.138 832 HG2 GLN 108 HG2 GLN 108 -20.706 1.476 13.241 833 HG3 GLN 108 HG3 GLN 108 -20.410 -0.131 13.852 834 HE21 GLN 108 HE21 GLN 108 -20.570 -1.301 11.994 835 HE22 GLN 108 HE22 GLN 108 -22.043 -1.497 11.073 Start of MODEL 7 1 H ALA 1 H ALA 1 13.702 -7.844 -2.261 2 HA ALA 1 HA ALA 1 12.872 -9.700 -3.605 3 HB1 ALA 1 HB1 ALA 1 10.692 -9.989 -2.567 4 HB2 ALA 1 HB2 ALA 1 11.911 -9.434 -1.413 5 HB3 ALA 1 HB3 ALA 1 10.726 -8.280 -2.071 6 H LEU 2 H LEU 2 11.082 -7.259 -3.938 7 HA LEU 2 HA LEU 2 9.207 -6.610 -5.235 8 HB2 LEU 2 HB2 LEU 2 11.766 -6.311 -6.533 9 HB3 LEU 2 HB3 LEU 2 10.432 -6.204 -7.698 10 HG LEU 2 HG LEU 2 10.627 -4.618 -5.104 11 HD11 LEU 2 HD11 LEU 2 12.384 -4.017 -6.740 12 HD12 LEU 2 HD12 LEU 2 11.222 -2.718 -6.532 13 HD13 LEU 2 HD13 LEU 2 11.158 -3.746 -7.987 14 HD21 LEU 2 HD21 LEU 2 8.713 -4.396 -7.483 15 HD22 LEU 2 HD22 LEU 2 8.817 -3.217 -6.163 16 HD23 LEU 2 HD23 LEU 2 8.274 -4.850 -5.823 17 H THR 3 H THR 3 7.795 -8.140 -5.201 18 HA THR 3 HA THR 3 7.492 -9.833 -7.597 19 HB THR 3 HB THR 3 6.880 -10.609 -4.725 20 HG1 THR 3 HG1 THR 3 8.770 -11.584 -4.658 21 HG21 THR 3 HG21 THR 3 6.834 -12.926 -5.677 22 HG22 THR 3 HG22 THR 3 6.982 -12.241 -7.311 23 HG23 THR 3 HG23 THR 3 5.547 -11.907 -6.304 24 H THR 4 H THR 4 5.073 -10.387 -7.943 25 HA THR 4 HA THR 4 3.352 -8.097 -7.181 26 HB THR 4 HB THR 4 2.304 -8.923 -9.499 27 HG1 THR 4 HG1 THR 4 4.040 -9.528 -10.926 28 HG21 THR 4 HG21 THR 4 4.822 -7.196 -9.299 29 HG22 THR 4 HG22 THR 4 3.127 -6.667 -9.140 30 HG23 THR 4 HG23 THR 4 3.710 -7.251 -10.692 31 H ILE 5 H ILE 5 1.214 -8.644 -6.528 32 HA ILE 5 HA ILE 5 0.580 -11.515 -6.446 33 HB ILE 5 HB ILE 5 -0.050 -11.550 -4.214 34 HG12 ILE 5 HG12 ILE 5 -1.057 -9.457 -3.746 35 HG13 ILE 5 HG13 ILE 5 0.204 -9.752 -2.572 36 HG21 ILE 5 HG21 ILE 5 2.680 -10.212 -4.186 37 HG22 ILE 5 HG22 ILE 5 2.016 -11.403 -3.039 38 HG23 ILE 5 HG23 ILE 5 2.340 -11.876 -4.694 39 HD11 ILE 5 HD11 ILE 5 0.287 -7.816 -4.912 40 HD12 ILE 5 HD12 ILE 5 0.259 -7.423 -3.189 41 HD13 ILE 5 HD13 ILE 5 1.703 -8.176 -3.888 42 H SER 6 H SER 6 -1.702 -11.977 -6.017 43 HA SER 6 HA SER 6 -3.393 -10.516 -7.751 44 HB2 SER 6 HB2 SER 6 -5.013 -12.187 -7.148 45 HB3 SER 6 HB3 SER 6 -3.454 -12.989 -7.102 46 HG SER 6 HG SER 6 -4.715 -13.502 -5.282 47 HA PRO 7 HA PRO 7 -5.182 -7.497 -5.109 48 HB2 PRO 7 HB2 PRO 7 -7.877 -7.393 -5.660 49 HB3 PRO 7 HB3 PRO 7 -6.612 -6.858 -6.806 50 HG2 PRO 7 HG2 PRO 7 -8.004 -9.552 -6.698 51 HG3 PRO 7 HG3 PRO 7 -7.755 -8.490 -8.122 52 HD2 PRO 7 HD2 PRO 7 -6.101 -10.555 -7.618 53 HD3 PRO 7 HD3 PRO 7 -5.457 -9.003 -8.218 54 H HIS 8 H HIS 8 -5.767 -10.715 -4.444 55 HA HIS 8 HA HIS 8 -7.222 -10.065 -1.932 56 HB2 HIS 8 HB2 HIS 8 -8.124 -11.688 -3.887 57 HB3 HIS 8 HB3 HIS 8 -7.127 -12.859 -3.029 58 HD1 HIS 8 HD1 HIS 8 -9.708 -10.137 -1.976 59 HD2 HIS 8 HD2 HIS 8 -8.659 -14.169 -1.361 60 HE1 HIS 8 HE1 HIS 8 -11.488 -11.104 -0.454 61 H ASP 9 H ASP 9 -4.508 -11.930 -3.365 62 HA ASP 9 HA ASP 9 -3.604 -13.267 -1.093 63 HB2 ASP 9 HB2 ASP 9 -2.240 -12.163 -3.562 64 HB3 ASP 9 HB3 ASP 9 -1.263 -12.810 -2.250 65 H ALA 10 H ALA 10 -2.970 -9.940 -2.098 66 HA ALA 10 HA ALA 10 -0.932 -9.215 -0.357 67 HB1 ALA 10 HB1 ALA 10 -3.369 -7.552 -1.153 68 HB2 ALA 10 HB2 ALA 10 -1.844 -6.919 -0.492 69 HB3 ALA 10 HB3 ALA 10 -1.862 -7.714 -2.082 70 H GLN 11 H GLN 11 -4.484 -9.140 0.386 71 HA GLN 11 HA GLN 11 -4.338 -8.166 2.971 72 HB2 GLN 11 HB2 GLN 11 -6.275 -8.481 1.386 73 HB3 GLN 11 HB3 GLN 11 -6.352 -10.158 1.885 74 HG2 GLN 11 HG2 GLN 11 -6.196 -8.185 4.147 75 HG3 GLN 11 HG3 GLN 11 -7.582 -8.036 3.105 76 HE21 GLN 11 HE21 GLN 11 -8.988 -8.721 4.814 77 HE22 GLN 11 HE22 GLN 11 -9.159 -10.452 5.176 78 H GLU 12 H GLU 12 -4.470 -11.510 1.835 79 HA GLU 12 HA GLU 12 -4.384 -12.795 4.386 80 HB2 GLU 12 HB2 GLU 12 -4.797 -13.753 1.948 81 HB3 GLU 12 HB3 GLU 12 -3.031 -13.943 1.957 82 HG2 GLU 12 HG2 GLU 12 -3.307 -15.137 4.209 83 HG3 GLU 12 HG3 GLU 12 -5.051 -15.121 3.910 84 H LEU 13 H LEU 13 -1.709 -11.507 2.331 85 HA LEU 13 HA LEU 13 0.292 -12.709 4.017 86 HB2 LEU 13 HB2 LEU 13 0.459 -10.409 2.033 87 HB3 LEU 13 HB3 LEU 13 1.847 -11.127 2.848 88 HG LEU 13 HG LEU 13 -0.083 -12.709 1.074 89 HD11 LEU 13 HD11 LEU 13 1.718 -12.720 -0.582 90 HD12 LEU 13 HD12 LEU 13 2.683 -11.644 0.460 91 HD13 LEU 13 HD13 LEU 13 1.133 -11.085 -0.229 92 HD21 LEU 13 HD21 LEU 13 1.816 -14.390 1.100 93 HD22 LEU 13 HD22 LEU 13 0.885 -14.248 2.595 94 HD23 LEU 13 HD23 LEU 13 2.474 -13.477 2.476 95 H ILE 14 H ILE 14 -1.269 -9.518 3.951 96 HA ILE 14 HA ILE 14 0.203 -8.360 6.101 97 HB ILE 14 HB ILE 14 -2.611 -7.837 5.093 98 HG12 ILE 14 HG12 ILE 14 -0.294 -5.947 4.616 99 HG13 ILE 14 HG13 ILE 14 -0.324 -7.426 3.695 100 HG21 ILE 14 HG21 ILE 14 -2.441 -6.876 7.315 101 HG22 ILE 14 HG22 ILE 14 -0.867 -6.161 6.926 102 HG23 ILE 14 HG23 ILE 14 -2.351 -5.575 6.124 103 HD11 ILE 14 HD11 ILE 14 -2.602 -5.428 3.784 104 HD12 ILE 14 HD12 ILE 14 -1.460 -5.689 2.440 105 HD13 ILE 14 HD13 ILE 14 -2.601 -6.960 2.893 106 H ALA 15 H ALA 15 -2.875 -10.200 6.062 107 HA ALA 15 HA ALA 15 -3.402 -10.112 8.822 108 HB1 ALA 15 HB1 ALA 15 -4.038 -12.298 6.796 109 HB2 ALA 15 HB2 ALA 15 -4.781 -12.129 8.396 110 HB3 ALA 15 HB3 ALA 15 -5.037 -10.875 7.160 111 H ARG 16 H ARG 16 -1.432 -12.447 6.946 112 HA ARG 16 HA ARG 16 -0.784 -14.158 9.170 113 HB2 ARG 16 HB2 ARG 16 0.547 -13.596 6.520 114 HB3 ARG 16 HB3 ARG 16 1.098 -14.861 7.612 115 HG2 ARG 16 HG2 ARG 16 -0.970 -16.131 7.261 116 HG3 ARG 16 HG3 ARG 16 -1.733 -14.808 6.476 117 HD2 ARG 16 HD2 ARG 16 -0.184 -14.837 4.615 118 HD3 ARG 16 HD3 ARG 16 0.867 -15.975 5.438 119 HE ARG 16 HE ARG 16 -1.692 -16.543 4.074 120 HH11 ARG 16 HH11 ARG 16 1.038 -17.912 5.896 121 HH12 ARG 16 HH12 ARG 16 1.095 -19.379 4.990 122 HH21 ARG 16 HH21 ARG 16 -1.809 -18.398 3.063 123 HH22 ARG 16 HH22 ARG 16 -0.810 -19.790 3.412 124 H GLY 17 H GLY 17 0.855 -11.287 7.751 125 HA2 GLY 17 HA2 GLY 17 2.009 -10.417 10.137 126 HA3 GLY 17 HA3 GLY 17 3.177 -11.557 9.470 127 H ALA 18 H ALA 18 1.770 -10.052 6.781 128 HA ALA 18 HA ALA 18 4.154 -8.418 6.382 129 HB1 ALA 18 HB1 ALA 18 3.325 -8.089 4.145 130 HB2 ALA 18 HB2 ALA 18 3.161 -9.798 4.557 131 HB3 ALA 18 HB3 ALA 18 1.739 -8.736 4.552 132 H LYS 19 H LYS 19 3.479 -6.149 5.151 133 HA LYS 19 HA LYS 19 1.423 -4.743 6.745 134 HB2 LYS 19 HB2 LYS 19 4.243 -4.388 7.135 135 HB3 LYS 19 HB3 LYS 19 3.774 -3.078 6.098 136 HG2 LYS 19 HG2 LYS 19 3.679 -2.456 8.471 137 HG3 LYS 19 HG3 LYS 19 2.124 -2.262 7.648 138 HD2 LYS 19 HD2 LYS 19 1.373 -4.399 8.753 139 HD3 LYS 19 HD3 LYS 19 2.966 -4.523 9.521 140 HE2 LYS 19 HE2 LYS 19 1.520 -3.539 11.134 141 HE3 LYS 19 HE3 LYS 19 2.539 -2.222 10.535 142 HZ1 LYS 19 HZ1 LYS 19 0.686 -1.520 9.145 143 HZ2 LYS 19 HZ2 LYS 19 0.125 -1.660 10.679 144 HZ3 LYS 19 HZ3 LYS 19 -0.195 -2.824 9.573 145 H LEU 20 H LEU 20 0.740 -2.689 5.802 146 HA LEU 20 HA LEU 20 1.057 -2.690 2.829 147 HB2 LEU 20 HB2 LEU 20 -1.183 -3.483 3.901 148 HB3 LEU 20 HB3 LEU 20 -1.434 -1.841 4.304 149 HG LEU 20 HG LEU 20 -1.542 -1.100 2.071 150 HD11 LEU 20 HD11 LEU 20 -0.763 -3.889 1.158 151 HD12 LEU 20 HD12 LEU 20 0.147 -2.378 0.900 152 HD13 LEU 20 HD13 LEU 20 -1.399 -2.614 0.108 153 HD21 LEU 20 HD21 LEU 20 -3.082 -3.730 2.265 154 HD22 LEU 20 HD22 LEU 20 -3.540 -2.316 1.310 155 HD23 LEU 20 HD23 LEU 20 -3.565 -2.240 3.075 156 H ILE 21 H ILE 21 1.995 -0.863 2.084 157 HA ILE 21 HA ILE 21 1.676 1.623 3.705 158 HB ILE 21 HB ILE 21 3.997 0.484 2.173 159 HG12 ILE 21 HG12 ILE 21 5.268 1.261 4.094 160 HG13 ILE 21 HG13 ILE 21 3.878 2.093 4.777 161 HG21 ILE 21 HG21 ILE 21 5.046 2.807 2.307 162 HG22 ILE 21 HG22 ILE 21 3.759 2.642 1.117 163 HG23 ILE 21 HG23 ILE 21 3.424 3.441 2.658 164 HD11 ILE 21 HD11 ILE 21 4.568 -0.155 5.826 165 HD12 ILE 21 HD12 ILE 21 2.856 0.070 5.448 166 HD13 ILE 21 HD13 ILE 21 3.881 -0.920 4.381 167 H ASP 22 H ASP 22 0.675 3.250 2.842 168 HA ASP 22 HA ASP 22 -0.498 2.980 0.136 169 HB2 ASP 22 HB2 ASP 22 -1.926 3.366 2.251 170 HB3 ASP 22 HB3 ASP 22 -1.204 4.977 2.299 171 H ILE 23 H ILE 23 0.603 3.986 -1.419 172 HA ILE 23 HA ILE 23 2.226 6.359 -0.696 173 HB ILE 23 HB ILE 23 3.632 5.871 -2.518 174 HG12 ILE 23 HG12 ILE 23 1.890 3.470 -3.214 175 HG13 ILE 23 HG13 ILE 23 1.980 4.965 -4.143 176 HG21 ILE 23 HG21 ILE 23 3.961 4.625 -0.323 177 HG22 ILE 23 HG22 ILE 23 3.226 3.204 -1.082 178 HG23 ILE 23 HG23 ILE 23 4.741 3.879 -1.707 179 HD11 ILE 23 HD11 ILE 23 4.164 2.880 -3.779 180 HD12 ILE 23 HD12 ILE 23 3.383 3.427 -5.276 181 HD13 ILE 23 HD13 ILE 23 4.477 4.507 -4.427 182 H ARG 24 H ARG 24 -0.890 6.372 -1.521 183 HA ARG 24 HA ARG 24 -0.901 7.657 -4.071 184 HB2 ARG 24 HB2 ARG 24 -2.866 7.527 -1.751 185 HB3 ARG 24 HB3 ARG 24 -3.229 8.300 -3.302 186 HG2 ARG 24 HG2 ARG 24 -3.325 6.335 -4.475 187 HG3 ARG 24 HG3 ARG 24 -2.154 5.513 -3.438 188 HD2 ARG 24 HD2 ARG 24 -4.473 4.570 -3.315 189 HD3 ARG 24 HD3 ARG 24 -3.752 5.027 -1.786 190 HE ARG 24 HE ARG 24 -5.170 7.228 -2.780 191 HH11 ARG 24 HH11 ARG 24 -5.706 4.065 -1.223 192 HH12 ARG 24 HH12 ARG 24 -7.315 4.434 -0.693 193 HH21 ARG 24 HH21 ARG 24 -7.372 7.689 -2.011 194 HH22 ARG 24 HH22 ARG 24 -8.048 6.700 -0.758 195 H ASP 25 H ASP 25 -2.008 9.446 -1.086 196 HA ASP 25 HA ASP 25 -0.050 11.539 -1.382 197 HB2 ASP 25 HB2 ASP 25 -2.921 11.914 -2.340 198 HB3 ASP 25 HB3 ASP 25 -2.036 13.237 -1.610 199 H ALA 26 H ALA 26 -0.307 12.953 0.547 200 HA ALA 26 HA ALA 26 -1.387 11.623 2.822 201 HB1 ALA 26 HB1 ALA 26 0.428 13.327 2.896 202 HB2 ALA 26 HB2 ALA 26 -0.760 14.589 2.480 203 HB3 ALA 26 HB3 ALA 26 -0.896 13.705 4.011 204 H ASP 27 H ASP 27 -2.911 13.802 0.525 205 HA ASP 27 HA ASP 27 -5.117 14.607 2.192 206 HB2 ASP 27 HB2 ASP 27 -5.709 15.866 0.460 207 HB3 ASP 27 HB3 ASP 27 -4.085 15.556 -0.100 208 H GLU 28 H GLU 28 -4.473 11.843 0.158 209 HA GLU 28 HA GLU 28 -7.179 10.920 -0.182 210 HB2 GLU 28 HB2 GLU 28 -4.475 9.495 -0.247 211 HB3 GLU 28 HB3 GLU 28 -5.974 8.730 -0.651 212 HG2 GLU 28 HG2 GLU 28 -5.544 11.309 -2.080 213 HG3 GLU 28 HG3 GLU 28 -4.357 10.060 -2.431 214 H TYR 29 H TYR 29 -4.698 10.341 2.274 215 HA TYR 29 HA TYR 29 -5.929 8.252 3.723 216 HB2 TYR 29 HB2 TYR 29 -3.626 8.785 3.997 217 HB3 TYR 29 HB3 TYR 29 -3.943 10.441 4.441 218 HD1 TYR 29 HD1 TYR 29 -4.087 11.057 6.770 219 HD2 TYR 29 HD2 TYR 29 -4.376 6.924 5.577 220 HE1 TYR 29 HE1 TYR 29 -3.861 10.343 9.138 221 HE2 TYR 29 HE2 TYR 29 -4.095 6.206 7.886 222 HH TYR 29 HH TYR 29 -4.009 6.860 10.031 223 H LEU 30 H LEU 30 -6.676 11.687 3.670 224 HA LEU 30 HA LEU 30 -8.304 11.607 6.123 225 HB2 LEU 30 HB2 LEU 30 -7.386 13.661 4.145 226 HB3 LEU 30 HB3 LEU 30 -8.941 13.978 4.892 227 HG LEU 30 HG LEU 30 -6.496 13.274 6.560 228 HD11 LEU 30 HD11 LEU 30 -6.142 15.664 6.900 229 HD12 LEU 30 HD12 LEU 30 -7.504 16.047 5.821 230 HD13 LEU 30 HD13 LEU 30 -6.036 15.276 5.173 231 HD21 LEU 30 HD21 LEU 30 -9.143 14.684 7.176 232 HD22 LEU 30 HD22 LEU 30 -7.814 14.466 8.329 233 HD23 LEU 30 HD23 LEU 30 -8.686 13.059 7.714 234 H ARG 31 H ARG 31 -8.812 11.093 2.708 235 HA ARG 31 HA ARG 31 -11.718 11.540 2.935 236 HB2 ARG 31 HB2 ARG 31 -9.964 10.717 0.589 237 HB3 ARG 31 HB3 ARG 31 -11.736 10.913 0.546 238 HG2 ARG 31 HG2 ARG 31 -11.442 13.225 1.476 239 HG3 ARG 31 HG3 ARG 31 -9.696 13.052 1.298 240 HD2 ARG 31 HD2 ARG 31 -9.869 12.908 -1.090 241 HD3 ARG 31 HD3 ARG 31 -11.629 12.649 -0.985 242 HE ARG 31 HE ARG 31 -10.623 15.190 0.095 243 HH11 ARG 31 HH11 ARG 31 -11.682 13.686 -2.929 244 HH12 ARG 31 HH12 ARG 31 -12.608 15.093 -3.432 245 HH21 ARG 31 HH21 ARG 31 -11.875 16.965 -0.576 246 HH22 ARG 31 HH22 ARG 31 -12.694 16.946 -2.145 247 H GLU 32 H GLU 32 -9.836 8.788 1.618 248 HA GLU 32 HA GLU 32 -10.989 6.907 3.448 249 HB2 GLU 32 HB2 GLU 32 -12.078 5.534 1.690 250 HB3 GLU 32 HB3 GLU 32 -12.985 6.922 2.233 251 HG2 GLU 32 HG2 GLU 32 -11.360 7.227 -0.293 252 HG3 GLU 32 HG3 GLU 32 -12.742 6.177 -0.340 253 H HIS 33 H HIS 33 -9.613 5.243 3.596 254 HA HIS 33 HA HIS 33 -8.011 4.329 1.345 255 HB2 HIS 33 HB2 HIS 33 -5.915 4.713 2.225 256 HB3 HIS 33 HB3 HIS 33 -6.738 6.214 2.562 257 HD1 HIS 33 HD1 HIS 33 -4.996 3.335 4.294 258 HD2 HIS 33 HD2 HIS 33 -7.618 6.495 5.244 259 HE1 HIS 33 HE1 HIS 33 -4.958 3.555 6.798 260 H ILE 34 H ILE 34 -6.476 2.387 2.739 261 HA ILE 34 HA ILE 34 -8.658 0.611 3.617 262 HB ILE 34 HB ILE 34 -5.820 0.165 2.669 263 HG12 ILE 34 HG12 ILE 34 -8.389 -0.941 1.481 264 HG13 ILE 34 HG13 ILE 34 -7.961 0.718 1.135 265 HG21 ILE 34 HG21 ILE 34 -7.781 -1.956 3.638 266 HG22 ILE 34 HG22 ILE 34 -6.263 -2.256 2.757 267 HG23 ILE 34 HG23 ILE 34 -6.200 -1.533 4.333 268 HD11 ILE 34 HD11 ILE 34 -5.936 0.199 0.166 269 HD12 ILE 34 HD12 ILE 34 -5.961 -1.499 0.675 270 HD13 ILE 34 HD13 ILE 34 -7.109 -0.901 -0.566 271 HA PRO 35 HA PRO 35 -7.389 1.090 7.867 272 HB2 PRO 35 HB2 PRO 35 -8.452 -1.226 8.943 273 HB3 PRO 35 HB3 PRO 35 -9.421 0.227 8.530 274 HG2 PRO 35 HG2 PRO 35 -9.006 -2.302 6.910 275 HG3 PRO 35 HG3 PRO 35 -10.538 -1.407 7.204 276 HD2 PRO 35 HD2 PRO 35 -9.102 -1.176 4.937 277 HD3 PRO 35 HD3 PRO 35 -9.903 0.235 5.588 278 H GLU 36 H GLU 36 -6.764 -1.888 6.129 279 HA GLU 36 HA GLU 36 -4.821 -2.971 7.892 280 HB2 GLU 36 HB2 GLU 36 -5.069 -3.571 4.941 281 HB3 GLU 36 HB3 GLU 36 -4.284 -4.554 6.156 282 HG2 GLU 36 HG2 GLU 36 -7.206 -3.883 6.424 283 HG3 GLU 36 HG3 GLU 36 -6.656 -5.190 5.380 284 H ALA 37 H ALA 37 -4.615 -0.087 6.128 285 HA ALA 37 HA ALA 37 -1.699 -0.343 5.716 286 HB1 ALA 37 HB1 ALA 37 -1.832 1.061 3.794 287 HB2 ALA 37 HB2 ALA 37 -3.157 -0.103 3.548 288 HB3 ALA 37 HB3 ALA 37 -3.526 1.509 4.141 289 H ASP 38 H ASP 38 -0.552 1.700 5.853 290 HA ASP 38 HA ASP 38 -1.757 3.355 8.053 291 HB2 ASP 38 HB2 ASP 38 0.338 2.046 8.512 292 HB3 ASP 38 HB3 ASP 38 1.190 3.161 7.448 293 H LEU 39 H LEU 39 0.906 4.548 6.309 294 HA LEU 39 HA LEU 39 -0.214 6.021 4.143 295 HB2 LEU 39 HB2 LEU 39 -1.511 7.338 5.712 296 HB3 LEU 39 HB3 LEU 39 -0.158 7.423 6.836 297 HG LEU 39 HG LEU 39 1.051 8.946 5.324 298 HD11 LEU 39 HD11 LEU 39 0.043 8.201 3.139 299 HD12 LEU 39 HD12 LEU 39 -0.052 9.949 3.377 300 HD13 LEU 39 HD13 LEU 39 -1.480 8.946 3.622 301 HD21 LEU 39 HD21 LEU 39 -0.191 10.888 5.791 302 HD22 LEU 39 HD22 LEU 39 -0.702 9.715 7.056 303 HD23 LEU 39 HD23 LEU 39 -1.737 10.051 5.673 304 H ALA 40 H ALA 40 1.547 6.677 2.979 305 HA ALA 40 HA ALA 40 3.905 7.811 4.122 306 HB1 ALA 40 HB1 ALA 40 4.774 5.273 2.795 307 HB2 ALA 40 HB2 ALA 40 5.496 6.230 4.083 308 HB3 ALA 40 HB3 ALA 40 4.154 5.150 4.462 309 HA PRO 41 HA PRO 41 2.757 8.733 -0.250 310 HB2 PRO 41 HB2 PRO 41 3.303 11.438 -0.233 311 HB3 PRO 41 HB3 PRO 41 1.748 10.717 0.298 312 HG2 PRO 41 HG2 PRO 41 4.080 11.613 1.980 313 HG3 PRO 41 HG3 PRO 41 2.338 11.869 2.285 314 HD2 PRO 41 HD2 PRO 41 3.820 9.897 3.503 315 HD3 PRO 41 HD3 PRO 41 2.092 9.682 3.121 316 H LEU 42 H LEU 42 4.099 9.038 -2.029 317 HA LEU 42 HA LEU 42 6.735 8.220 -1.782 318 HB2 LEU 42 HB2 LEU 42 5.015 8.663 -3.893 319 HB3 LEU 42 HB3 LEU 42 6.207 9.912 -4.163 320 HG LEU 42 HG LEU 42 7.231 8.388 -5.403 321 HD11 LEU 42 HD11 LEU 42 8.986 7.093 -4.438 322 HD12 LEU 42 HD12 LEU 42 8.165 6.982 -2.868 323 HD13 LEU 42 HD13 LEU 42 8.822 8.515 -3.430 324 HD21 LEU 42 HD21 LEU 42 6.015 6.153 -3.758 325 HD22 LEU 42 HD22 LEU 42 6.884 5.985 -5.306 326 HD23 LEU 42 HD23 LEU 42 5.339 6.840 -5.251 327 H SER 43 H SER 43 5.409 11.497 -1.810 328 HA SER 43 HA SER 43 7.814 12.898 -2.242 329 HB2 SER 43 HB2 SER 43 5.349 13.751 -2.129 330 HB3 SER 43 HB3 SER 43 5.636 13.929 -0.386 331 HG SER 43 HG SER 43 6.180 15.826 -1.382 332 H VAL 44 H VAL 44 6.609 11.320 0.719 333 HA VAL 44 HA VAL 44 8.692 12.571 2.401 334 HB VAL 44 HB VAL 44 6.579 10.441 2.946 335 HG11 VAL 44 HG11 VAL 44 8.470 9.992 4.448 336 HG12 VAL 44 HG12 VAL 44 8.585 11.712 4.873 337 HG13 VAL 44 HG13 VAL 44 7.168 10.749 5.362 338 HG21 VAL 44 HG21 VAL 44 5.808 12.844 2.646 339 HG22 VAL 44 HG22 VAL 44 5.501 12.186 4.258 340 HG23 VAL 44 HG23 VAL 44 6.868 13.292 3.986 341 H LEU 45 H LEU 45 7.969 9.459 0.813 342 HA LEU 45 HA LEU 45 10.167 8.000 1.855 343 HB2 LEU 45 HB2 LEU 45 8.373 7.773 -0.549 344 HB3 LEU 45 HB3 LEU 45 9.820 6.844 -0.567 345 HG LEU 45 HG LEU 45 7.717 5.706 0.345 346 HD11 LEU 45 HD11 LEU 45 9.051 4.459 2.026 347 HD12 LEU 45 HD12 LEU 45 10.231 5.778 2.062 348 HD13 LEU 45 HD13 LEU 45 10.020 4.834 0.580 349 HD21 LEU 45 HD21 LEU 45 8.289 7.268 2.888 350 HD22 LEU 45 HD22 LEU 45 7.199 5.893 2.679 351 HD23 LEU 45 HD23 LEU 45 6.848 7.412 1.846 352 H GLU 46 H GLU 46 9.913 9.933 -1.149 353 HA GLU 46 HA GLU 46 12.529 9.376 -2.081 354 HB2 GLU 46 HB2 GLU 46 10.653 11.705 -2.520 355 HB3 GLU 46 HB3 GLU 46 12.247 11.630 -3.253 356 HG2 GLU 46 HG2 GLU 46 10.994 9.073 -3.716 357 HG3 GLU 46 HG3 GLU 46 9.797 10.323 -4.071 358 H GLN 47 H GLN 47 11.326 11.616 0.310 359 HA GLN 47 HA GLN 47 13.876 13.075 0.536 360 HB2 GLN 47 HB2 GLN 47 11.139 13.494 1.780 361 HB3 GLN 47 HB3 GLN 47 12.578 14.419 2.262 362 HG2 GLN 47 HG2 GLN 47 12.885 15.206 -0.052 363 HG3 GLN 47 HG3 GLN 47 11.464 14.299 -0.571 364 HE21 GLN 47 HE21 GLN 47 9.383 15.093 -0.038 365 HE22 GLN 47 HE22 GLN 47 9.165 16.799 0.364 366 H SER 48 H SER 48 11.805 12.127 3.266 367 HA SER 48 HA SER 48 14.035 11.587 4.970 368 HB2 SER 48 HB2 SER 48 11.790 12.427 5.711 369 HB3 SER 48 HB3 SER 48 11.095 10.850 5.323 370 HG SER 48 HG SER 48 12.603 9.955 6.861 371 H GLY 49 H GLY 49 11.650 9.421 3.349 372 HA2 GLY 49 HA2 GLY 49 12.462 7.269 2.485 373 HA3 GLY 49 HA3 GLY 49 13.467 7.100 3.924 374 H LEU 50 H LEU 50 12.263 5.049 4.122 375 HA LEU 50 HA LEU 50 9.416 5.122 4.811 376 HB2 LEU 50 HB2 LEU 50 10.476 3.219 3.553 377 HB3 LEU 50 HB3 LEU 50 11.510 2.915 4.951 378 HG LEU 50 HG LEU 50 9.390 2.527 6.312 379 HD11 LEU 50 HD11 LEU 50 8.024 2.221 3.601 380 HD12 LEU 50 HD12 LEU 50 7.757 3.605 4.664 381 HD13 LEU 50 HD13 LEU 50 7.346 1.975 5.229 382 HD21 LEU 50 HD21 LEU 50 10.849 0.701 5.357 383 HD22 LEU 50 HD22 LEU 50 9.821 0.710 3.889 384 HD23 LEU 50 HD23 LEU 50 9.143 0.241 5.420 385 HA PRO 51 HA PRO 51 10.642 5.977 9.052 386 HB2 PRO 51 HB2 PRO 51 8.284 5.654 10.402 387 HB3 PRO 51 HB3 PRO 51 8.579 7.007 9.255 388 HG2 PRO 51 HG2 PRO 51 7.059 4.482 8.811 389 HG3 PRO 51 HG3 PRO 51 6.654 6.133 8.258 390 HD2 PRO 51 HD2 PRO 51 7.902 4.171 6.722 391 HD3 PRO 51 HD3 PRO 51 8.026 5.906 6.364 392 H ALA 52 H ALA 52 11.114 4.912 11.030 393 HA ALA 52 HA ALA 52 11.741 2.223 10.857 394 HB1 ALA 52 HB1 ALA 52 12.431 2.439 13.167 395 HB2 ALA 52 HB2 ALA 52 12.757 3.973 12.334 396 HB3 ALA 52 HB3 ALA 52 11.349 3.821 13.410 397 H LYS 53 H LYS 53 8.705 3.615 11.636 398 HA LYS 53 HA LYS 53 7.691 1.354 13.219 399 HB2 LYS 53 HB2 LYS 53 6.059 3.646 12.137 400 HB3 LYS 53 HB3 LYS 53 5.737 2.643 13.539 401 HG2 LYS 53 HG2 LYS 53 7.894 4.766 13.266 402 HG3 LYS 53 HG3 LYS 53 6.397 4.900 14.196 403 HD2 LYS 53 HD2 LYS 53 8.606 2.881 14.777 404 HD3 LYS 53 HD3 LYS 53 8.427 4.434 15.594 405 HE2 LYS 53 HE2 LYS 53 6.298 3.809 16.538 406 HE3 LYS 53 HE3 LYS 53 6.225 2.341 15.552 407 HZ1 LYS 53 HZ1 LYS 53 8.130 1.508 16.693 408 HZ2 LYS 53 HZ2 LYS 53 6.922 1.811 17.759 409 HZ3 LYS 53 HZ3 LYS 53 8.215 2.862 17.654 410 H LEU 54 H LEU 54 7.801 2.295 9.857 411 HA LEU 54 HA LEU 54 5.674 0.293 9.233 412 HB2 LEU 54 HB2 LEU 54 6.465 2.719 7.614 413 HB3 LEU 54 HB3 LEU 54 5.259 1.536 7.181 414 HG LEU 54 HG LEU 54 5.058 3.344 9.604 415 HD11 LEU 54 HD11 LEU 54 3.375 4.549 8.305 416 HD12 LEU 54 HD12 LEU 54 3.582 3.441 6.935 417 HD13 LEU 54 HD13 LEU 54 4.893 4.535 7.409 418 HD21 LEU 54 HD21 LEU 54 2.727 2.578 9.737 419 HD22 LEU 54 HD22 LEU 54 3.829 1.232 9.962 420 HD23 LEU 54 HD23 LEU 54 3.003 1.437 8.399 421 H ARG 55 H ARG 55 8.593 -0.103 9.655 422 HA ARG 55 HA ARG 55 9.366 -1.190 6.979 423 HB2 ARG 55 HB2 ARG 55 11.653 -1.003 7.631 424 HB3 ARG 55 HB3 ARG 55 10.889 0.587 7.809 425 HG2 ARG 55 HG2 ARG 55 10.931 0.588 10.045 426 HG3 ARG 55 HG3 ARG 55 10.977 -1.147 10.276 427 HD2 ARG 55 HD2 ARG 55 13.183 -1.339 9.424 428 HD3 ARG 55 HD3 ARG 55 13.222 0.398 9.017 429 HE ARG 55 HE ARG 55 12.674 -0.162 11.824 430 HH11 ARG 55 HH11 ARG 55 15.313 0.565 9.522 431 HH12 ARG 55 HH12 ARG 55 16.505 0.692 10.782 432 HH21 ARG 55 HH21 ARG 55 14.083 0.354 13.387 433 HH22 ARG 55 HH22 ARG 55 15.724 0.845 13.051 434 H HIS 56 H HIS 56 7.576 -2.593 8.357 435 HA HIS 56 HA HIS 56 8.730 -4.594 10.060 436 HB2 HIS 56 HB2 HIS 56 6.137 -3.986 9.535 437 HB3 HIS 56 HB3 HIS 56 6.292 -5.222 8.378 438 HD1 HIS 56 HD1 HIS 56 8.349 -6.013 11.566 439 HD2 HIS 56 HD2 HIS 56 4.398 -6.416 10.085 440 HE1 HIS 56 HE1 HIS 56 7.183 -7.610 13.090 441 H GLU 57 H GLU 57 8.982 -6.862 9.441 442 HA GLU 57 HA GLU 57 10.951 -7.530 7.826 443 HB2 GLU 57 HB2 GLU 57 8.428 -9.220 8.172 444 HB3 GLU 57 HB3 GLU 57 10.045 -9.829 7.824 445 HG2 GLU 57 HG2 GLU 57 9.192 -8.397 10.394 446 HG3 GLU 57 HG3 GLU 57 9.386 -10.128 10.190 447 H GLN 58 H GLN 58 7.590 -7.460 6.687 448 HA GLN 58 HA GLN 58 8.506 -7.315 3.870 449 HB2 GLN 58 HB2 GLN 58 6.415 -9.350 4.788 450 HB3 GLN 58 HB3 GLN 58 7.070 -9.131 3.160 451 HG2 GLN 58 HG2 GLN 58 9.329 -9.877 4.028 452 HG3 GLN 58 HG3 GLN 58 8.585 -10.164 5.602 453 HE21 GLN 58 HE21 GLN 58 9.499 -12.301 5.221 454 HE22 GLN 58 HE22 GLN 58 8.535 -13.516 4.402 455 H ILE 59 H ILE 59 7.303 -5.853 2.754 456 HA ILE 59 HA ILE 59 4.653 -5.137 3.834 457 HB ILE 59 HB ILE 59 5.096 -2.938 4.071 458 HG12 ILE 59 HG12 ILE 59 7.551 -3.121 2.289 459 HG13 ILE 59 HG13 ILE 59 5.991 -2.407 1.865 460 HG21 ILE 59 HG21 ILE 59 7.870 -4.039 4.717 461 HG22 ILE 59 HG22 ILE 59 7.130 -2.628 5.427 462 HG23 ILE 59 HG23 ILE 59 6.441 -4.227 5.753 463 HD11 ILE 59 HD11 ILE 59 7.986 -1.337 3.862 464 HD12 ILE 59 HD12 ILE 59 7.328 -0.553 2.436 465 HD13 ILE 59 HD13 ILE 59 6.279 -0.836 3.852 466 H ILE 60 H ILE 60 3.437 -3.707 2.165 467 HA ILE 60 HA ILE 60 4.077 -4.530 -0.638 468 HB ILE 60 HB ILE 60 1.422 -4.587 0.839 469 HG12 ILE 60 HG12 ILE 60 2.425 -6.994 -0.628 470 HG13 ILE 60 HG13 ILE 60 3.238 -6.608 0.868 471 HG21 ILE 60 HG21 ILE 60 0.472 -5.531 -1.304 472 HG22 ILE 60 HG22 ILE 60 0.933 -3.840 -1.426 473 HG23 ILE 60 HG23 ILE 60 1.992 -5.099 -2.115 474 HD11 ILE 60 HD11 ILE 60 0.256 -7.026 0.620 475 HD12 ILE 60 HD12 ILE 60 1.430 -8.194 1.266 476 HD13 ILE 60 HD13 ILE 60 1.151 -6.654 2.110 477 H PHE 61 H PHE 61 3.399 -3.008 -2.224 478 HA PHE 61 HA PHE 61 2.678 -0.309 -1.205 479 HB2 PHE 61 HB2 PHE 61 4.466 -1.072 -3.549 480 HB3 PHE 61 HB3 PHE 61 3.896 0.549 -3.198 481 HD1 PHE 61 HD1 PHE 61 4.221 0.730 -0.230 482 HD2 PHE 61 HD2 PHE 61 6.891 -0.874 -3.251 483 HE1 PHE 61 HE1 PHE 61 6.111 1.065 1.234 484 HE2 PHE 61 HE2 PHE 61 8.777 -0.462 -1.776 485 HZ PHE 61 HZ PHE 61 8.403 0.429 0.526 486 H HIS 62 H HIS 62 0.792 0.306 -1.817 487 HA HIS 62 HA HIS 62 -0.374 -0.619 -4.381 488 HB2 HIS 62 HB2 HIS 62 -2.493 -0.934 -3.363 489 HB3 HIS 62 HB3 HIS 62 -1.324 -1.925 -2.494 490 HD1 HIS 62 HD1 HIS 62 -0.510 0.877 -0.587 491 HD2 HIS 62 HD2 HIS 62 -4.110 -1.273 -1.213 492 HE1 HIS 62 HE1 HIS 62 -2.030 1.456 1.320 493 H CYS 63 H CYS 63 -2.037 0.901 -5.223 494 HA CYS 63 HA CYS 63 -2.073 3.575 -4.147 495 HB2 CYS 63 HB2 CYS 63 0.030 3.366 -5.508 496 HB3 CYS 63 HB3 CYS 63 -0.946 3.013 -6.936 497 HG CYS 63 HG CYS 63 -1.682 5.272 -7.432 498 H GLN 64 H GLN 64 -3.448 4.813 -6.293 499 HA GLN 64 HA GLN 64 -6.064 3.796 -6.016 500 HB2 GLN 64 HB2 GLN 64 -4.787 5.724 -7.969 501 HB3 GLN 64 HB3 GLN 64 -6.456 5.229 -8.197 502 HG2 GLN 64 HG2 GLN 64 -5.407 6.540 -5.668 503 HG3 GLN 64 HG3 GLN 64 -6.233 7.367 -6.988 504 HE21 GLN 64 HE21 GLN 64 -7.189 7.522 -4.388 505 HE22 GLN 64 HE22 GLN 64 -8.688 6.578 -4.231 506 H ALA 65 H ALA 65 -4.143 3.697 -9.038 507 HA ALA 65 HA ALA 65 -4.860 1.005 -9.732 508 HB1 ALA 65 HB1 ALA 65 -6.028 3.346 -11.316 509 HB2 ALA 65 HB2 ALA 65 -5.989 1.648 -11.848 510 HB3 ALA 65 HB3 ALA 65 -6.938 2.107 -10.426 511 H GLY 66 H GLY 66 -2.800 0.609 -10.048 512 HA2 GLY 66 HA2 GLY 66 -0.562 0.787 -10.423 513 HA3 GLY 66 HA3 GLY 66 -1.271 0.417 -11.991 514 H LYS 67 H LYS 67 -0.661 3.317 -9.987 515 HA LYS 67 HA LYS 67 0.338 4.561 -12.428 516 HB2 LYS 67 HB2 LYS 67 -1.813 5.479 -11.353 517 HB3 LYS 67 HB3 LYS 67 -0.783 6.162 -10.113 518 HG2 LYS 67 HG2 LYS 67 -1.117 7.903 -11.641 519 HG3 LYS 67 HG3 LYS 67 0.512 7.324 -11.992 520 HD2 LYS 67 HD2 LYS 67 -0.589 7.733 -14.090 521 HD3 LYS 67 HD3 LYS 67 -0.473 5.982 -13.916 522 HE2 LYS 67 HE2 LYS 67 -2.895 6.133 -12.938 523 HE3 LYS 67 HE3 LYS 67 -2.909 7.786 -13.552 524 HZ1 LYS 67 HZ1 LYS 67 -2.531 5.302 -15.108 525 HZ2 LYS 67 HZ2 LYS 67 -2.510 6.816 -15.791 526 HZ3 LYS 67 HZ3 LYS 67 -3.866 6.239 -15.080 527 H ARG 68 H ARG 68 0.753 5.400 -8.938 528 HA ARG 68 HA ARG 68 3.534 6.096 -9.388 529 HB2 ARG 68 HB2 ARG 68 2.044 5.610 -6.763 530 HB3 ARG 68 HB3 ARG 68 3.671 6.297 -6.912 531 HG2 ARG 68 HG2 ARG 68 2.760 8.191 -8.243 532 HG3 ARG 68 HG3 ARG 68 1.135 7.519 -8.048 533 HD2 ARG 68 HD2 ARG 68 1.519 7.651 -5.534 534 HD3 ARG 68 HD3 ARG 68 2.956 8.641 -5.890 535 HE ARG 68 HE ARG 68 0.184 9.228 -6.808 536 HH11 ARG 68 HH11 ARG 68 2.994 10.539 -5.042 537 HH12 ARG 68 HH12 ARG 68 2.449 12.178 -5.232 538 HH21 ARG 68 HH21 ARG 68 -0.597 11.334 -6.651 539 HH22 ARG 68 HH22 ARG 68 0.394 12.600 -6.021 540 H THR 69 H THR 69 1.849 3.124 -8.307 541 HA THR 69 HA THR 69 4.185 1.818 -7.313 542 HB THR 69 HB THR 69 2.542 -0.197 -7.756 543 HG1 THR 69 HG1 THR 69 0.876 0.419 -8.799 544 HG21 THR 69 HG21 THR 69 3.008 0.794 -5.521 545 HG22 THR 69 HG22 THR 69 1.328 0.270 -5.711 546 HG23 THR 69 HG23 THR 69 1.733 1.997 -5.802 547 H SER 70 H SER 70 5.420 0.242 -8.400 548 HA SER 70 HA SER 70 6.496 -0.781 -10.067 549 HB2 SER 70 HB2 SER 70 4.519 -0.217 -12.210 550 HB3 SER 70 HB3 SER 70 5.413 -1.689 -11.829 551 HG SER 70 HG SER 70 3.068 -0.641 -10.658 552 H ASN 71 H ASN 71 5.880 2.481 -9.973 553 HA ASN 71 HA ASN 71 7.440 3.143 -12.412 554 HB2 ASN 71 HB2 ASN 71 5.138 4.125 -11.717 555 HB3 ASN 71 HB3 ASN 71 6.055 5.078 -10.548 556 HD21 ASN 71 HD21 ASN 71 5.844 4.294 -14.071 557 HD22 ASN 71 HD22 ASN 71 6.625 5.788 -14.551 558 H ASN 72 H ASN 72 7.752 3.074 -8.956 559 HA ASN 72 HA ASN 72 10.438 4.374 -9.121 560 HB2 ASN 72 HB2 ASN 72 8.328 4.827 -6.977 561 HB3 ASN 72 HB3 ASN 72 9.991 5.408 -6.910 562 HD21 ASN 72 HD21 ASN 72 6.824 5.955 -8.355 563 HD22 ASN 72 HD22 ASN 72 7.288 7.417 -9.206 564 H ALA 73 H ALA 73 9.111 1.533 -8.817 565 HA ALA 73 HA ALA 73 9.486 0.284 -6.441 566 HB1 ALA 73 HB1 ALA 73 9.893 -0.831 -9.226 567 HB2 ALA 73 HB2 ALA 73 9.523 -1.747 -7.774 568 HB3 ALA 73 HB3 ALA 73 8.319 -0.620 -8.423 569 H ASP 74 H ASP 74 11.834 1.052 -8.900 570 HA ASP 74 HA ASP 74 14.082 -0.464 -8.245 571 HB2 ASP 74 HB2 ASP 74 13.873 0.789 -10.264 572 HB3 ASP 74 HB3 ASP 74 13.598 2.289 -9.401 573 H LYS 75 H LYS 75 13.582 2.931 -7.331 574 HA LYS 75 HA LYS 75 15.579 2.726 -5.202 575 HB2 LYS 75 HB2 LYS 75 13.653 5.048 -5.217 576 HB3 LYS 75 HB3 LYS 75 15.323 4.955 -4.704 577 HG2 LYS 75 HG2 LYS 75 15.490 6.173 -6.652 578 HG3 LYS 75 HG3 LYS 75 15.904 4.557 -7.213 579 HD2 LYS 75 HD2 LYS 75 14.176 4.616 -8.687 580 HD3 LYS 75 HD3 LYS 75 13.015 4.855 -7.360 581 HE2 LYS 75 HE2 LYS 75 13.711 7.342 -7.417 582 HE3 LYS 75 HE3 LYS 75 14.588 6.975 -8.907 583 HZ1 LYS 75 HZ1 LYS 75 11.677 6.758 -8.430 584 HZ2 LYS 75 HZ2 LYS 75 12.430 6.145 -9.793 585 HZ3 LYS 75 HZ3 LYS 75 12.423 7.747 -9.455 586 H LEU 76 H LEU 76 12.028 2.741 -5.343 587 HA LEU 76 HA LEU 76 11.476 2.877 -2.567 588 HB2 LEU 76 HB2 LEU 76 10.060 1.400 -4.771 589 HB3 LEU 76 HB3 LEU 76 9.497 1.278 -3.117 590 HG LEU 76 HG LEU 76 9.739 3.917 -4.621 591 HD11 LEU 76 HD11 LEU 76 7.282 3.767 -4.814 592 HD12 LEU 76 HD12 LEU 76 7.293 2.210 -3.969 593 HD13 LEU 76 HD13 LEU 76 8.057 2.364 -5.566 594 HD21 LEU 76 HD21 LEU 76 8.384 3.101 -2.002 595 HD22 LEU 76 HD22 LEU 76 8.200 4.688 -2.758 596 HD23 LEU 76 HD23 LEU 76 9.780 4.202 -2.135 597 H ALA 77 H ALA 77 12.326 -0.008 -4.524 598 HA ALA 77 HA ALA 77 12.174 -1.994 -2.491 599 HB1 ALA 77 HB1 ALA 77 13.975 -3.151 -3.771 600 HB2 ALA 77 HB2 ALA 77 12.595 -2.637 -4.746 601 HB3 ALA 77 HB3 ALA 77 14.124 -1.726 -4.807 602 H ALA 78 H ALA 78 14.781 0.360 -3.152 603 HA ALA 78 HA ALA 78 16.646 -0.753 -1.217 604 HB1 ALA 78 HB1 ALA 78 16.676 1.876 -2.762 605 HB2 ALA 78 HB2 ALA 78 18.011 1.187 -1.825 606 HB3 ALA 78 HB3 ALA 78 17.424 0.351 -3.279 607 H ILE 79 H ILE 79 14.480 2.119 -1.386 608 HA ILE 79 HA ILE 79 15.228 3.239 1.134 609 HB ILE 79 HB ILE 79 12.526 3.359 -0.285 610 HG12 ILE 79 HG12 ILE 79 14.564 5.583 -0.261 611 HG13 ILE 79 HG13 ILE 79 14.604 4.364 -1.519 612 HG21 ILE 79 HG21 ILE 79 12.243 3.999 2.046 613 HG22 ILE 79 HG22 ILE 79 13.715 4.993 2.004 614 HG23 ILE 79 HG23 ILE 79 12.286 5.497 1.105 615 HD11 ILE 79 HD11 ILE 79 12.308 4.946 -2.225 616 HD12 ILE 79 HD12 ILE 79 12.195 6.184 -0.967 617 HD13 ILE 79 HD13 ILE 79 13.372 6.358 -2.271 618 H ALA 80 H ALA 80 12.737 0.825 0.246 619 HA ALA 80 HA ALA 80 11.642 0.546 2.859 620 HB1 ALA 80 HB1 ALA 80 10.596 -1.506 1.975 621 HB2 ALA 80 HB2 ALA 80 10.474 -0.215 0.780 622 HB3 ALA 80 HB3 ALA 80 11.696 -1.477 0.570 623 H ALA 81 H ALA 81 14.258 -1.218 1.195 624 HA ALA 81 HA ALA 81 14.604 -3.333 2.883 625 HB1 ALA 81 HB1 ALA 81 15.849 -3.067 0.815 626 HB2 ALA 81 HB2 ALA 81 16.735 -1.692 1.492 627 HB3 ALA 81 HB3 ALA 81 16.991 -3.295 2.163 628 HA PRO 82 HA PRO 82 16.326 -4.593 3.960 629 HB2 PRO 82 HB2 PRO 82 16.774 -5.682 6.389 630 HB3 PRO 82 HB3 PRO 82 18.033 -4.768 5.505 631 HG2 PRO 82 HG2 PRO 82 16.241 -3.769 7.732 632 HG3 PRO 82 HG3 PRO 82 18.006 -3.553 7.540 633 HD2 PRO 82 HD2 PRO 82 16.144 -1.665 6.777 634 HD3 PRO 82 HD3 PRO 82 17.724 -1.869 5.953 635 H ALA 83 H ALA 83 14.280 -5.192 3.328 636 HA ALA 83 HA ALA 83 12.450 -6.523 4.923 637 HB1 ALA 83 HB1 ALA 83 11.602 -3.671 4.162 638 HB2 ALA 83 HB2 ALA 83 10.489 -4.964 4.667 639 HB3 ALA 83 HB3 ALA 83 11.680 -4.342 5.809 640 H GLU 84 H GLU 84 10.669 -7.202 3.515 641 HA GLU 84 HA GLU 84 11.445 -7.257 0.656 642 HB2 GLU 84 HB2 GLU 84 9.323 -8.851 2.129 643 HB3 GLU 84 HB3 GLU 84 9.690 -8.988 0.408 644 HG2 GLU 84 HG2 GLU 84 12.061 -9.516 0.939 645 HG3 GLU 84 HG3 GLU 84 11.689 -9.469 2.661 646 H ILE 85 H ILE 85 9.877 -6.794 -1.023 647 HA ILE 85 HA ILE 85 7.680 -5.034 -0.281 648 HB ILE 85 HB ILE 85 8.446 -3.584 -2.245 649 HG12 ILE 85 HG12 ILE 85 10.412 -5.171 -2.802 650 HG13 ILE 85 HG13 ILE 85 10.637 -3.441 -2.881 651 HG21 ILE 85 HG21 ILE 85 9.723 -3.455 0.504 652 HG22 ILE 85 HG22 ILE 85 9.732 -2.140 -0.690 653 HG23 ILE 85 HG23 ILE 85 8.196 -2.735 -0.031 654 HD11 ILE 85 HD11 ILE 85 12.541 -4.654 -1.836 655 HD12 ILE 85 HD12 ILE 85 11.852 -3.416 -0.767 656 HD13 ILE 85 HD13 ILE 85 11.492 -5.108 -0.472 657 H PHE 86 H PHE 86 5.975 -5.101 -1.751 658 HA PHE 86 HA PHE 86 6.265 -6.736 -4.188 659 HB2 PHE 86 HB2 PHE 86 4.028 -6.964 -2.152 660 HB3 PHE 86 HB3 PHE 86 4.145 -7.864 -3.654 661 HD1 PHE 86 HD1 PHE 86 5.845 -7.349 -0.373 662 HD2 PHE 86 HD2 PHE 86 5.169 -10.011 -3.656 663 HE1 PHE 86 HE1 PHE 86 7.104 -9.111 0.836 664 HE2 PHE 86 HE2 PHE 86 6.441 -11.765 -2.468 665 HZ PHE 86 HZ PHE 86 7.383 -11.327 -0.198 666 H LEU 87 H LEU 87 4.318 -6.358 -5.616 667 HA LEU 87 HA LEU 87 3.230 -3.584 -5.325 668 HB2 LEU 87 HB2 LEU 87 4.107 -5.042 -7.842 669 HB3 LEU 87 HB3 LEU 87 3.363 -3.448 -7.808 670 HG LEU 87 HG LEU 87 6.079 -4.146 -6.594 671 HD11 LEU 87 HD11 LEU 87 6.122 -4.334 -9.026 672 HD12 LEU 87 HD12 LEU 87 6.998 -2.885 -8.526 673 HD13 LEU 87 HD13 LEU 87 5.353 -2.750 -9.196 674 HD21 LEU 87 HD21 LEU 87 4.683 -1.470 -7.005 675 HD22 LEU 87 HD22 LEU 87 6.387 -1.691 -6.499 676 HD23 LEU 87 HD23 LEU 87 5.065 -2.250 -5.449 677 H LEU 88 H LEU 88 1.190 -3.248 -5.967 678 HA LEU 88 HA LEU 88 -0.550 -5.592 -6.571 679 HB2 LEU 88 HB2 LEU 88 -1.009 -4.516 -4.374 680 HB3 LEU 88 HB3 LEU 88 -1.084 -2.939 -5.166 681 HG LEU 88 HG LEU 88 -3.030 -3.921 -6.587 682 HD11 LEU 88 HD11 LEU 88 -3.259 -5.857 -4.256 683 HD12 LEU 88 HD12 LEU 88 -2.620 -6.337 -5.845 684 HD13 LEU 88 HD13 LEU 88 -4.270 -5.716 -5.723 685 HD21 LEU 88 HD21 LEU 88 -3.384 -3.459 -3.611 686 HD22 LEU 88 HD22 LEU 88 -4.681 -3.456 -4.810 687 HD23 LEU 88 HD23 LEU 88 -3.393 -2.239 -4.892 688 H GLU 89 H GLU 89 -1.213 -5.548 -8.724 689 HA GLU 89 HA GLU 89 -0.657 -3.310 -10.405 690 HB2 GLU 89 HB2 GLU 89 -0.692 -5.772 -10.998 691 HB3 GLU 89 HB3 GLU 89 -2.455 -5.693 -10.998 692 HG2 GLU 89 HG2 GLU 89 -0.499 -4.202 -12.791 693 HG3 GLU 89 HG3 GLU 89 -1.562 -5.518 -13.259 694 H ASP 90 H ASP 90 -3.807 -4.843 -9.768 695 HA ASP 90 HA ASP 90 -5.632 -3.193 -10.674 696 HB2 ASP 90 HB2 ASP 90 -5.751 -4.536 -7.935 697 HB3 ASP 90 HB3 ASP 90 -7.127 -3.902 -8.855 698 H GLY 91 H GLY 91 -4.199 -2.731 -7.469 699 HA2 GLY 91 HA2 GLY 91 -3.860 -0.696 -6.329 700 HA3 GLY 91 HA3 GLY 91 -4.921 0.116 -7.475 701 H ILE 92 H ILE 92 -5.739 0.993 -5.362 702 HA ILE 92 HA ILE 92 -7.117 -0.450 -3.390 703 HB ILE 92 HB ILE 92 -6.385 2.063 -3.663 704 HG12 ILE 92 HG12 ILE 92 -7.038 1.249 -1.570 705 HG13 ILE 92 HG13 ILE 92 -7.823 2.785 -1.861 706 HG21 ILE 92 HG21 ILE 92 -9.309 2.408 -4.441 707 HG22 ILE 92 HG22 ILE 92 -8.117 3.670 -4.098 708 HG23 ILE 92 HG23 ILE 92 -7.921 2.639 -5.516 709 HD11 ILE 92 HD11 ILE 92 -9.141 0.075 -1.827 710 HD12 ILE 92 HD12 ILE 92 -9.393 1.443 -0.743 711 HD13 ILE 92 HD13 ILE 92 -9.936 1.557 -2.423 712 H ASP 93 H ASP 93 -8.020 0.387 -6.634 713 HA ASP 93 HA ASP 93 -10.820 0.047 -6.573 714 HB2 ASP 93 HB2 ASP 93 -9.343 0.953 -8.447 715 HB3 ASP 93 HB3 ASP 93 -8.923 -0.724 -8.835 716 H GLY 94 H GLY 94 -8.213 -2.347 -7.258 717 HA2 GLY 94 HA2 GLY 94 -9.934 -4.612 -7.501 718 HA3 GLY 94 HA3 GLY 94 -8.195 -4.657 -7.198 719 H TRP 95 H TRP 95 -8.195 -3.144 -4.768 720 HA TRP 95 HA TRP 95 -8.482 -5.136 -2.809 721 HB2 TRP 95 HB2 TRP 95 -7.208 -3.015 -2.605 722 HB3 TRP 95 HB3 TRP 95 -8.713 -2.141 -2.378 723 HD1 TRP 95 HD1 TRP 95 -10.108 -2.619 -0.119 724 HE1 TRP 95 HE1 TRP 95 -9.377 -3.378 2.170 725 HE3 TRP 95 HE3 TRP 95 -5.503 -4.346 -1.379 726 HZ2 TRP 95 HZ2 TRP 95 -7.189 -5.012 3.273 727 HZ3 TRP 95 HZ3 TRP 95 -4.091 -5.586 0.344 728 HH2 TRP 95 HH2 TRP 95 -4.946 -5.905 2.641 729 H LYS 96 H LYS 96 -10.650 -2.367 -3.543 730 HA LYS 96 HA LYS 96 -12.850 -3.244 -1.892 731 HB2 LYS 96 HB2 LYS 96 -12.636 -1.307 -4.235 732 HB3 LYS 96 HB3 LYS 96 -14.141 -1.566 -3.344 733 HG2 LYS 96 HG2 LYS 96 -13.319 -0.622 -1.349 734 HG3 LYS 96 HG3 LYS 96 -11.630 -0.819 -1.832 735 HD2 LYS 96 HD2 LYS 96 -12.226 1.507 -1.985 736 HD3 LYS 96 HD3 LYS 96 -11.868 0.850 -3.590 737 HE2 LYS 96 HE2 LYS 96 -14.477 0.554 -3.757 738 HE3 LYS 96 HE3 LYS 96 -14.535 1.697 -2.396 739 HZ1 LYS 96 HZ1 LYS 96 -13.315 2.122 -5.047 740 HZ2 LYS 96 HZ2 LYS 96 -13.200 3.209 -3.809 741 HZ3 LYS 96 HZ3 LYS 96 -14.666 2.844 -4.493 742 H LYS 97 H LYS 97 -12.051 -3.774 -5.366 743 HA LYS 97 HA LYS 97 -14.551 -4.815 -6.171 744 HB2 LYS 97 HB2 LYS 97 -12.329 -4.304 -7.552 745 HB3 LYS 97 HB3 LYS 97 -11.918 -5.958 -7.176 746 HG2 LYS 97 HG2 LYS 97 -12.926 -5.996 -9.296 747 HG3 LYS 97 HG3 LYS 97 -14.135 -6.661 -8.197 748 HD2 LYS 97 HD2 LYS 97 -15.207 -5.166 -9.781 749 HD3 LYS 97 HD3 LYS 97 -15.286 -4.423 -8.179 750 HE2 LYS 97 HE2 LYS 97 -13.299 -3.000 -8.750 751 HE3 LYS 97 HE3 LYS 97 -13.252 -3.760 -10.340 752 HZ1 LYS 97 HZ1 LYS 97 -14.348 -1.727 -10.532 753 HZ2 LYS 97 HZ2 LYS 97 -15.415 -2.056 -9.295 754 HZ3 LYS 97 HZ3 LYS 97 -15.515 -2.879 -10.697 755 H ALA 98 H ALA 98 -11.691 -6.516 -4.823 756 HA ALA 98 HA ALA 98 -12.820 -9.099 -4.792 757 HB1 ALA 98 HB1 ALA 98 -10.986 -9.612 -3.305 758 HB2 ALA 98 HB2 ALA 98 -10.399 -8.510 -4.562 759 HB3 ALA 98 HB3 ALA 98 -10.744 -7.882 -2.929 760 H GLY 99 H GLY 99 -13.597 -6.405 -2.750 761 HA2 GLY 99 HA2 GLY 99 -15.457 -6.389 -1.303 762 HA3 GLY 99 HA3 GLY 99 -15.304 -8.125 -1.041 763 H LEU 100 H LEU 100 -12.291 -6.399 -0.825 764 HA LEU 100 HA LEU 100 -12.101 -7.060 1.989 765 HB2 LEU 100 HB2 LEU 100 -10.269 -5.486 0.167 766 HB3 LEU 100 HB3 LEU 100 -9.846 -6.010 1.777 767 HG LEU 100 HG LEU 100 -10.473 -7.890 -0.540 768 HD11 LEU 100 HD11 LEU 100 -8.396 -6.682 -0.922 769 HD12 LEU 100 HD12 LEU 100 -8.028 -8.346 -0.472 770 HD13 LEU 100 HD13 LEU 100 -7.836 -7.046 0.723 771 HD21 LEU 100 HD21 LEU 100 -9.428 -9.598 1.041 772 HD22 LEU 100 HD22 LEU 100 -11.020 -8.994 1.522 773 HD23 LEU 100 HD23 LEU 100 -9.585 -8.383 2.330 774 HA PRO 101 HA PRO 101 -13.693 -3.316 3.609 775 HB2 PRO 101 HB2 PRO 101 -12.322 -2.955 5.967 776 HB3 PRO 101 HB3 PRO 101 -13.444 -4.323 5.698 777 HG2 PRO 101 HG2 PRO 101 -10.428 -4.309 5.372 778 HG3 PRO 101 HG3 PRO 101 -11.437 -5.472 6.292 779 HD2 PRO 101 HD2 PRO 101 -10.630 -5.996 3.750 780 HD3 PRO 101 HD3 PRO 101 -12.265 -6.467 4.303 781 H VAL 102 H VAL 102 -13.417 -1.122 4.135 782 HA VAL 102 HA VAL 102 -10.846 0.187 3.631 783 HB VAL 102 HB VAL 102 -12.287 2.007 2.476 784 HG11 VAL 102 HG11 VAL 102 -11.694 1.148 0.278 785 HG12 VAL 102 HG12 VAL 102 -10.401 0.844 1.437 786 HG13 VAL 102 HG13 VAL 102 -11.467 -0.493 0.946 787 HG21 VAL 102 HG21 VAL 102 -14.462 0.921 2.737 788 HG22 VAL 102 HG22 VAL 102 -14.062 1.303 1.049 789 HG23 VAL 102 HG23 VAL 102 -13.948 -0.380 1.632 790 H ALA 103 H ALA 103 -10.810 2.253 4.527 791 HA ALA 103 HA ALA 103 -12.385 2.550 7.005 792 HB1 ALA 103 HB1 ALA 103 -9.896 2.505 7.098 793 HB2 ALA 103 HB2 ALA 103 -9.831 3.900 5.999 794 HB3 ALA 103 HB3 ALA 103 -10.531 4.072 7.616 795 H VAL 104 H VAL 104 -13.995 3.045 4.823 796 HA VAL 104 HA VAL 104 -13.815 5.871 4.065 797 HB VAL 104 HB VAL 104 -16.034 5.462 2.961 798 HG11 VAL 104 HG11 VAL 104 -15.177 3.639 1.320 799 HG12 VAL 104 HG12 VAL 104 -14.342 5.167 1.433 800 HG13 VAL 104 HG13 VAL 104 -13.664 3.737 2.246 801 HG21 VAL 104 HG21 VAL 104 -16.931 3.216 2.803 802 HG22 VAL 104 HG22 VAL 104 -15.663 2.601 3.900 803 HG23 VAL 104 HG23 VAL 104 -16.880 3.803 4.467 804 H ASN 105 H ASN 105 -15.679 7.251 4.404 805 HA ASN 105 HA ASN 105 -16.207 7.468 7.287 806 HB2 ASN 105 HB2 ASN 105 -15.478 9.391 5.780 807 HB3 ASN 105 HB3 ASN 105 -17.094 9.350 5.052 808 HD21 ASN 105 HD21 ASN 105 -17.911 11.411 5.907 809 HD22 ASN 105 HD22 ASN 105 -17.866 11.713 7.632 810 H LYS 106 H LYS 106 -18.054 6.948 4.307 811 HA LYS 106 HA LYS 106 -20.272 5.730 5.671 812 HB2 LYS 106 HB2 LYS 106 -21.956 7.346 4.663 813 HB3 LYS 106 HB3 LYS 106 -21.040 7.969 6.030 814 HG2 LYS 106 HG2 LYS 106 -19.524 9.190 4.473 815 HG3 LYS 106 HG3 LYS 106 -20.475 8.651 3.099 816 HD2 LYS 106 HD2 LYS 106 -21.735 10.204 5.405 817 HD3 LYS 106 HD3 LYS 106 -20.789 11.010 4.170 818 HE2 LYS 106 HE2 LYS 106 -23.023 11.274 3.519 819 HE3 LYS 106 HE3 LYS 106 -22.277 10.140 2.386 820 HZ1 LYS 106 HZ1 LYS 106 -24.523 9.607 3.179 821 HZ2 LYS 106 HZ2 LYS 106 -23.920 9.278 4.671 822 HZ3 LYS 106 HZ3 LYS 106 -23.436 8.396 3.318 823 H SER 107 H SER 107 -21.808 4.882 3.975 824 HA SER 107 HA SER 107 -20.751 4.829 1.257 825 HB2 SER 107 HB2 SER 107 -19.765 2.949 2.664 826 HB3 SER 107 HB3 SER 107 -21.408 2.300 2.794 827 HG SER 107 HG SER 107 -20.063 2.900 0.351 828 H GLN 108 H GLN 108 -22.550 3.149 0.072 829 HA GLN 108 HA GLN 108 -25.272 3.889 0.843 830 HB2 GLN 108 HB2 GLN 108 -24.136 4.492 -1.933 831 HB3 GLN 108 HB3 GLN 108 -25.798 4.724 -1.394 832 HG2 GLN 108 HG2 GLN 108 -25.053 6.530 0.132 833 HG3 GLN 108 HG3 GLN 108 -23.379 6.273 -0.382 834 HE21 GLN 108 HE21 GLN 108 -22.898 8.252 -1.467 835 HE22 GLN 108 HE22 GLN 108 -23.817 8.786 -2.841 Start of MODEL 8 1 H ALA 1 H ALA 1 12.956 -8.896 -3.750 2 HA ALA 1 HA ALA 1 11.629 -6.866 -3.423 3 HB1 ALA 1 HB1 ALA 1 12.907 -7.108 -6.176 4 HB2 ALA 1 HB2 ALA 1 12.471 -5.575 -5.387 5 HB3 ALA 1 HB3 ALA 1 13.694 -6.594 -4.659 6 H LEU 2 H LEU 2 10.583 -5.299 -5.443 7 HA LEU 2 HA LEU 2 7.878 -5.813 -5.348 8 HB2 LEU 2 HB2 LEU 2 9.260 -4.249 -7.557 9 HB3 LEU 2 HB3 LEU 2 7.576 -4.168 -7.086 10 HG LEU 2 HG LEU 2 10.005 -3.087 -5.675 11 HD11 LEU 2 HD11 LEU 2 8.827 -1.038 -5.574 12 HD12 LEU 2 HD12 LEU 2 7.267 -1.797 -5.933 13 HD13 LEU 2 HD13 LEU 2 8.483 -1.673 -7.201 14 HD21 LEU 2 HD21 LEU 2 8.867 -4.300 -3.884 15 HD22 LEU 2 HD22 LEU 2 7.328 -3.512 -4.275 16 HD23 LEU 2 HD23 LEU 2 8.706 -2.558 -3.671 17 H THR 3 H THR 3 6.989 -7.635 -5.894 18 HA THR 3 HA THR 3 7.476 -8.873 -8.556 19 HB THR 3 HB THR 3 6.816 -9.856 -5.762 20 HG1 THR 3 HG1 THR 3 8.900 -9.585 -5.929 21 HG21 THR 3 HG21 THR 3 5.469 -11.210 -7.125 22 HG22 THR 3 HG22 THR 3 6.835 -12.158 -6.522 23 HG23 THR 3 HG23 THR 3 6.844 -11.591 -8.216 24 H THR 4 H THR 4 4.970 -7.758 -6.514 25 HA THR 4 HA THR 4 2.813 -7.187 -7.020 26 HB THR 4 HB THR 4 3.061 -8.294 -9.805 27 HG1 THR 4 HG1 THR 4 3.901 -6.488 -10.449 28 HG21 THR 4 HG21 THR 4 0.831 -7.713 -8.978 29 HG22 THR 4 HG22 THR 4 1.375 -6.648 -10.281 30 HG23 THR 4 HG23 THR 4 1.414 -6.071 -8.588 31 H ILE 5 H ILE 5 1.972 -8.660 -5.485 32 HA ILE 5 HA ILE 5 1.678 -11.479 -6.326 33 HB ILE 5 HB ILE 5 0.917 -12.030 -4.200 34 HG12 ILE 5 HG12 ILE 5 -0.523 -10.283 -3.478 35 HG13 ILE 5 HG13 ILE 5 0.720 -10.535 -2.274 36 HG21 ILE 5 HG21 ILE 5 2.857 -11.624 -2.885 37 HG22 ILE 5 HG22 ILE 5 3.337 -11.792 -4.570 38 HG23 ILE 5 HG23 ILE 5 3.287 -10.178 -3.825 39 HD11 ILE 5 HD11 ILE 5 1.896 -8.480 -3.254 40 HD12 ILE 5 HD12 ILE 5 0.399 -8.256 -4.223 41 HD13 ILE 5 HD13 ILE 5 0.337 -8.187 -2.462 42 H SER 6 H SER 6 -0.643 -12.430 -5.844 43 HA SER 6 HA SER 6 -2.372 -11.263 -7.746 44 HB2 SER 6 HB2 SER 6 -3.067 -13.154 -5.472 45 HB3 SER 6 HB3 SER 6 -4.023 -12.902 -6.933 46 HG SER 6 HG SER 6 -1.456 -14.073 -6.681 47 HA PRO 7 HA PRO 7 -4.452 -7.990 -5.796 48 HB2 PRO 7 HB2 PRO 7 -7.192 -8.560 -6.243 49 HB3 PRO 7 HB3 PRO 7 -6.061 -7.703 -7.326 50 HG2 PRO 7 HG2 PRO 7 -6.869 -10.604 -7.331 51 HG3 PRO 7 HG3 PRO 7 -6.638 -9.505 -8.733 52 HD2 PRO 7 HD2 PRO 7 -4.758 -11.299 -8.046 53 HD3 PRO 7 HD3 PRO 7 -4.274 -9.665 -8.557 54 H HIS 8 H HIS 8 -6.222 -11.067 -4.910 55 HA HIS 8 HA HIS 8 -6.932 -9.991 -2.324 56 HB2 HIS 8 HB2 HIS 8 -7.978 -11.921 -3.825 57 HB3 HIS 8 HB3 HIS 8 -6.817 -12.915 -2.943 58 HD1 HIS 8 HD1 HIS 8 -10.203 -11.462 -2.678 59 HD2 HIS 8 HD2 HIS 8 -7.188 -12.958 -0.131 60 HE1 HIS 8 HE1 HIS 8 -11.317 -11.938 -0.396 61 H ASP 9 H ASP 9 -4.112 -11.711 -3.574 62 HA ASP 9 HA ASP 9 -3.204 -12.927 -1.176 63 HB2 ASP 9 HB2 ASP 9 -1.847 -12.117 -3.725 64 HB3 ASP 9 HB3 ASP 9 -0.871 -12.487 -2.314 65 H ALA 10 H ALA 10 -3.142 -9.579 -2.222 66 HA ALA 10 HA ALA 10 -1.054 -8.567 -0.595 67 HB1 ALA 10 HB1 ALA 10 -2.322 -6.456 -0.700 68 HB2 ALA 10 HB2 ALA 10 -2.339 -7.263 -2.289 69 HB3 ALA 10 HB3 ALA 10 -3.780 -7.330 -1.241 70 H GLN 11 H GLN 11 -4.518 -9.107 0.155 71 HA GLN 11 HA GLN 11 -4.603 -8.243 2.820 72 HB2 GLN 11 HB2 GLN 11 -6.473 -8.807 1.089 73 HB3 GLN 11 HB3 GLN 11 -6.230 -10.475 1.600 74 HG2 GLN 11 HG2 GLN 11 -6.376 -9.074 3.993 75 HG3 GLN 11 HG3 GLN 11 -7.481 -8.160 3.000 76 HE21 GLN 11 HE21 GLN 11 -7.729 -11.279 1.923 77 HE22 GLN 11 HE22 GLN 11 -9.098 -11.814 2.845 78 H GLU 12 H GLU 12 -4.153 -11.453 1.356 79 HA GLU 12 HA GLU 12 -3.871 -13.077 3.646 80 HB2 GLU 12 HB2 GLU 12 -4.214 -13.752 1.266 81 HB3 GLU 12 HB3 GLU 12 -2.575 -13.273 0.917 82 HG2 GLU 12 HG2 GLU 12 -2.639 -15.606 1.148 83 HG3 GLU 12 HG3 GLU 12 -1.644 -14.895 2.412 84 H LEU 13 H LEU 13 -1.381 -11.198 1.883 85 HA LEU 13 HA LEU 13 0.772 -12.262 3.464 86 HB2 LEU 13 HB2 LEU 13 0.558 -9.648 1.933 87 HB3 LEU 13 HB3 LEU 13 2.024 -10.208 2.745 88 HG LEU 13 HG LEU 13 0.672 -11.565 0.384 89 HD11 LEU 13 HD11 LEU 13 2.791 -10.974 -0.743 90 HD12 LEU 13 HD12 LEU 13 3.329 -10.120 0.712 91 HD13 LEU 13 HD13 LEU 13 1.901 -9.549 -0.192 92 HD21 LEU 13 HD21 LEU 13 3.118 -12.436 1.956 93 HD22 LEU 13 HD22 LEU 13 2.605 -13.093 0.383 94 HD23 LEU 13 HD23 LEU 13 1.581 -13.327 1.787 95 H ILE 14 H ILE 14 -1.233 -9.307 3.857 96 HA ILE 14 HA ILE 14 0.088 -8.412 6.230 97 HB ILE 14 HB ILE 14 -2.775 -7.961 5.365 98 HG12 ILE 14 HG12 ILE 14 -0.755 -5.756 4.995 99 HG13 ILE 14 HG13 ILE 14 -0.505 -7.130 3.944 100 HG21 ILE 14 HG21 ILE 14 -2.570 -7.306 7.640 101 HG22 ILE 14 HG22 ILE 14 -1.008 -6.493 7.352 102 HG23 ILE 14 HG23 ILE 14 -2.513 -5.835 6.675 103 HD11 ILE 14 HD11 ILE 14 -2.993 -7.053 3.383 104 HD12 ILE 14 HD12 ILE 14 -3.070 -5.510 4.249 105 HD13 ILE 14 HD13 ILE 14 -2.058 -5.708 2.793 106 H ALA 15 H ALA 15 -2.769 -10.537 5.720 107 HA ALA 15 HA ALA 15 -3.469 -10.937 8.407 108 HB1 ALA 15 HB1 ALA 15 -4.513 -13.030 7.627 109 HB2 ALA 15 HB2 ALA 15 -4.836 -11.701 6.496 110 HB3 ALA 15 HB3 ALA 15 -3.619 -12.936 6.104 111 H ARG 16 H ARG 16 -1.075 -12.635 6.376 112 HA ARG 16 HA ARG 16 -0.158 -14.473 8.405 113 HB2 ARG 16 HB2 ARG 16 1.040 -13.524 5.782 114 HB3 ARG 16 HB3 ARG 16 1.731 -14.793 6.761 115 HG2 ARG 16 HG2 ARG 16 -0.217 -16.218 6.428 116 HG3 ARG 16 HG3 ARG 16 -1.101 -14.906 5.679 117 HD2 ARG 16 HD2 ARG 16 0.579 -14.747 3.868 118 HD3 ARG 16 HD3 ARG 16 1.553 -15.992 4.653 119 HE ARG 16 HE ARG 16 -1.221 -16.726 4.013 120 HH11 ARG 16 HH11 ARG 16 2.116 -16.958 2.762 121 HH12 ARG 16 HH12 ARG 16 1.613 -17.917 1.410 122 HH21 ARG 16 HH21 ARG 16 -1.804 -17.789 2.263 123 HH22 ARG 16 HH22 ARG 16 -0.688 -18.317 1.014 124 H GLY 17 H GLY 17 0.621 -11.131 7.824 125 HA2 GLY 17 HA2 GLY 17 1.782 -10.419 10.091 126 HA3 GLY 17 HA3 GLY 17 3.132 -11.336 9.426 127 H ALA 18 H ALA 18 1.928 -10.009 6.669 128 HA ALA 18 HA ALA 18 4.013 -8.073 6.563 129 HB1 ALA 18 HB1 ALA 18 3.108 -9.464 4.667 130 HB2 ALA 18 HB2 ALA 18 1.707 -8.377 4.603 131 HB3 ALA 18 HB3 ALA 18 3.337 -7.749 4.282 132 H LYS 19 H LYS 19 3.346 -5.864 5.361 133 HA LYS 19 HA LYS 19 1.299 -4.399 6.949 134 HB2 LYS 19 HB2 LYS 19 4.143 -4.069 7.101 135 HB3 LYS 19 HB3 LYS 19 3.563 -2.686 6.227 136 HG2 LYS 19 HG2 LYS 19 2.713 -3.591 9.001 137 HG3 LYS 19 HG3 LYS 19 3.812 -2.246 8.627 138 HD2 LYS 19 HD2 LYS 19 2.017 -0.989 7.554 139 HD3 LYS 19 HD3 LYS 19 0.882 -2.324 7.740 140 HE2 LYS 19 HE2 LYS 19 2.168 -0.798 10.043 141 HE3 LYS 19 HE3 LYS 19 0.537 -0.535 9.405 142 HZ1 LYS 19 HZ1 LYS 19 0.076 -2.898 10.008 143 HZ2 LYS 19 HZ2 LYS 19 0.405 -1.903 11.297 144 HZ3 LYS 19 HZ3 LYS 19 1.549 -2.930 10.779 145 H LEU 20 H LEU 20 0.490 -2.479 5.774 146 HA LEU 20 HA LEU 20 0.897 -2.624 2.823 147 HB2 LEU 20 HB2 LEU 20 -1.368 -3.397 4.070 148 HB3 LEU 20 HB3 LEU 20 -1.678 -1.711 4.076 149 HG LEU 20 HG LEU 20 -1.517 -1.562 1.653 150 HD11 LEU 20 HD11 LEU 20 -1.562 -3.821 0.355 151 HD12 LEU 20 HD12 LEU 20 -0.721 -4.479 1.782 152 HD13 LEU 20 HD13 LEU 20 -0.020 -3.159 0.864 153 HD21 LEU 20 HD21 LEU 20 -3.364 -3.776 2.635 154 HD22 LEU 20 HD22 LEU 20 -3.564 -2.852 1.136 155 HD23 LEU 20 HD23 LEU 20 -3.671 -2.034 2.685 156 H ILE 21 H ILE 21 1.839 -0.784 2.082 157 HA ILE 21 HA ILE 21 1.504 1.686 3.739 158 HB ILE 21 HB ILE 21 3.841 0.549 2.229 159 HG12 ILE 21 HG12 ILE 21 5.099 1.169 4.185 160 HG13 ILE 21 HG13 ILE 21 3.753 2.069 4.866 161 HG21 ILE 21 HG21 ILE 21 4.932 2.833 2.503 162 HG22 ILE 21 HG22 ILE 21 3.688 2.745 1.260 163 HG23 ILE 21 HG23 ILE 21 3.307 3.492 2.815 164 HD11 ILE 21 HD11 ILE 21 3.599 -0.926 4.419 165 HD12 ILE 21 HD12 ILE 21 4.287 -0.227 5.887 166 HD13 ILE 21 HD13 ILE 21 2.596 0.104 5.485 167 H ASP 22 H ASP 22 0.327 3.229 2.930 168 HA ASP 22 HA ASP 22 -0.625 3.151 0.156 169 HB2 ASP 22 HB2 ASP 22 -2.194 3.710 1.945 170 HB3 ASP 22 HB3 ASP 22 -1.144 5.015 2.508 171 H ILE 23 H ILE 23 0.643 4.001 -1.385 172 HA ILE 23 HA ILE 23 2.691 6.002 -0.662 173 HB ILE 23 HB ILE 23 3.828 5.375 -2.685 174 HG12 ILE 23 HG12 ILE 23 1.959 3.051 -3.139 175 HG13 ILE 23 HG13 ILE 23 1.637 4.593 -3.920 176 HG21 ILE 23 HG21 ILE 23 3.155 2.783 -1.240 177 HG22 ILE 23 HG22 ILE 23 4.711 3.294 -1.968 178 HG23 ILE 23 HG23 ILE 23 4.098 4.067 -0.498 179 HD11 ILE 23 HD11 ILE 23 3.903 4.473 -4.975 180 HD12 ILE 23 HD12 ILE 23 4.148 2.875 -4.224 181 HD13 ILE 23 HD13 ILE 23 2.859 3.122 -5.418 182 H ARG 24 H ARG 24 -0.352 6.514 -1.424 183 HA ARG 24 HA ARG 24 -0.154 8.137 -3.854 184 HB2 ARG 24 HB2 ARG 24 -2.316 7.913 -1.750 185 HB3 ARG 24 HB3 ARG 24 -2.510 8.715 -3.306 186 HG2 ARG 24 HG2 ARG 24 -2.293 6.635 -4.523 187 HG3 ARG 24 HG3 ARG 24 -1.889 5.748 -3.055 188 HD2 ARG 24 HD2 ARG 24 -4.525 7.085 -3.714 189 HD3 ARG 24 HD3 ARG 24 -4.233 5.350 -3.576 190 HE ARG 24 HE ARG 24 -3.487 6.115 -1.141 191 HH11 ARG 24 HH11 ARG 24 -6.427 7.153 -2.884 192 HH12 ARG 24 HH12 ARG 24 -7.430 6.998 -1.476 193 HH21 ARG 24 HH21 ARG 24 -4.594 6.636 0.700 194 HH22 ARG 24 HH22 ARG 24 -6.262 7.174 0.676 195 H ASP 25 H ASP 25 -1.988 9.860 -1.607 196 HA ASP 25 HA ASP 25 0.138 11.857 -1.042 197 HB2 ASP 25 HB2 ASP 25 -2.589 12.248 -2.309 198 HB3 ASP 25 HB3 ASP 25 -1.914 13.500 -1.266 199 H ALA 26 H ALA 26 -0.134 12.921 0.930 200 HA ALA 26 HA ALA 26 -1.037 11.448 3.100 201 HB1 ALA 26 HB1 ALA 26 0.707 13.144 3.222 202 HB2 ALA 26 HB2 ALA 26 -0.453 14.412 2.753 203 HB3 ALA 26 HB3 ALA 26 -0.606 13.607 4.315 204 H ASP 27 H ASP 27 -2.923 13.935 1.345 205 HA ASP 27 HA ASP 27 -4.950 13.966 3.450 206 HB2 ASP 27 HB2 ASP 27 -4.978 15.124 0.655 207 HB3 ASP 27 HB3 ASP 27 -6.261 15.326 1.826 208 H GLU 28 H GLU 28 -4.276 11.733 0.914 209 HA GLU 28 HA GLU 28 -7.072 11.076 0.365 210 HB2 GLU 28 HB2 GLU 28 -4.464 9.670 -0.350 211 HB3 GLU 28 HB3 GLU 28 -6.078 9.276 -0.938 212 HG2 GLU 28 HG2 GLU 28 -4.776 11.970 -1.415 213 HG3 GLU 28 HG3 GLU 28 -4.730 10.617 -2.537 214 H TYR 29 H TYR 29 -4.692 10.253 2.726 215 HA TYR 29 HA TYR 29 -5.770 7.635 3.494 216 HB2 TYR 29 HB2 TYR 29 -3.553 7.927 4.135 217 HB3 TYR 29 HB3 TYR 29 -3.747 9.616 4.551 218 HD1 TYR 29 HD1 TYR 29 -3.919 10.263 6.820 219 HD2 TYR 29 HD2 TYR 29 -4.755 6.170 5.728 220 HE1 TYR 29 HE1 TYR 29 -4.042 9.644 9.209 221 HE2 TYR 29 HE2 TYR 29 -4.830 5.534 8.083 222 HH TYR 29 HH TYR 29 -4.549 6.240 10.270 223 H LEU 30 H LEU 30 -6.065 11.013 4.481 224 HA LEU 30 HA LEU 30 -7.776 10.725 6.730 225 HB2 LEU 30 HB2 LEU 30 -7.483 12.986 4.693 226 HB3 LEU 30 HB3 LEU 30 -8.372 13.129 6.193 227 HG LEU 30 HG LEU 30 -5.380 12.525 5.995 228 HD11 LEU 30 HD11 LEU 30 -6.825 15.089 6.749 229 HD12 LEU 30 HD12 LEU 30 -6.020 14.805 5.202 230 HD13 LEU 30 HD13 LEU 30 -5.059 14.841 6.682 231 HD21 LEU 30 HD21 LEU 30 -7.176 13.159 8.382 232 HD22 LEU 30 HD22 LEU 30 -5.413 13.093 8.439 233 HD23 LEU 30 HD23 LEU 30 -6.314 11.629 8.079 234 H ARG 31 H ARG 31 -8.490 10.920 3.293 235 HA ARG 31 HA ARG 31 -11.297 11.457 3.526 236 HB2 ARG 31 HB2 ARG 31 -9.740 10.115 1.280 237 HB3 ARG 31 HB3 ARG 31 -11.454 10.512 1.212 238 HG2 ARG 31 HG2 ARG 31 -10.140 12.885 2.124 239 HG3 ARG 31 HG3 ARG 31 -9.135 12.208 0.852 240 HD2 ARG 31 HD2 ARG 31 -10.621 13.667 -0.254 241 HD3 ARG 31 HD3 ARG 31 -11.247 12.054 -0.586 242 HE ARG 31 HE ARG 31 -13.110 12.471 0.739 243 HH11 ARG 31 HH11 ARG 31 -10.730 15.053 1.401 244 HH12 ARG 31 HH12 ARG 31 -11.909 16.110 2.089 245 HH21 ARG 31 HH21 ARG 31 -14.703 14.013 1.590 246 HH22 ARG 31 HH22 ARG 31 -14.181 15.604 1.968 247 H GLU 32 H GLU 32 -9.933 8.388 2.323 248 HA GLU 32 HA GLU 32 -11.001 6.670 4.244 249 HB2 GLU 32 HB2 GLU 32 -12.671 5.562 2.643 250 HB3 GLU 32 HB3 GLU 32 -13.181 6.989 3.506 251 HG2 GLU 32 HG2 GLU 32 -12.467 8.216 1.197 252 HG3 GLU 32 HG3 GLU 32 -12.765 6.608 0.561 253 H HIS 33 H HIS 33 -9.857 4.804 3.978 254 HA HIS 33 HA HIS 33 -8.903 4.042 1.362 255 HB2 HIS 33 HB2 HIS 33 -7.188 5.752 2.318 256 HB3 HIS 33 HB3 HIS 33 -6.707 4.463 3.421 257 HD1 HIS 33 HD1 HIS 33 -7.543 4.510 -0.413 258 HD2 HIS 33 HD2 HIS 33 -4.583 3.268 2.342 259 HE1 HIS 33 HE1 HIS 33 -5.739 3.336 -1.756 260 H ILE 34 H ILE 34 -6.807 2.303 2.923 261 HA ILE 34 HA ILE 34 -8.789 0.213 3.565 262 HB ILE 34 HB ILE 34 -5.851 0.205 2.820 263 HG12 ILE 34 HG12 ILE 34 -8.235 -1.080 1.423 264 HG13 ILE 34 HG13 ILE 34 -7.830 0.586 1.107 265 HG21 ILE 34 HG21 ILE 34 -7.575 -2.234 3.497 266 HG22 ILE 34 HG22 ILE 34 -5.955 -2.271 2.821 267 HG23 ILE 34 HG23 ILE 34 -6.203 -1.644 4.444 268 HD11 ILE 34 HD11 ILE 34 -5.866 -1.660 0.661 269 HD12 ILE 34 HD12 ILE 34 -6.887 -0.898 -0.578 270 HD13 ILE 34 HD13 ILE 34 -5.675 0.069 0.276 271 HA PRO 35 HA PRO 35 -7.918 0.783 7.901 272 HB2 PRO 35 HB2 PRO 35 -8.799 -1.587 8.952 273 HB3 PRO 35 HB3 PRO 35 -9.903 -0.341 8.291 274 HG2 PRO 35 HG2 PRO 35 -8.812 -2.791 6.857 275 HG3 PRO 35 HG3 PRO 35 -10.526 -2.250 6.983 276 HD2 PRO 35 HD2 PRO 35 -8.984 -1.716 4.846 277 HD3 PRO 35 HD3 PRO 35 -10.096 -0.488 5.435 278 H GLU 36 H GLU 36 -6.783 -2.250 6.380 279 HA GLU 36 HA GLU 36 -4.837 -2.880 8.393 280 HB2 GLU 36 HB2 GLU 36 -5.183 -3.781 5.497 281 HB3 GLU 36 HB3 GLU 36 -4.032 -4.458 6.627 282 HG2 GLU 36 HG2 GLU 36 -5.804 -5.183 8.136 283 HG3 GLU 36 HG3 GLU 36 -7.034 -4.448 7.101 284 H ALA 37 H ALA 37 -4.781 -0.379 6.084 285 HA ALA 37 HA ALA 37 -1.835 -0.471 5.785 286 HB1 ALA 37 HB1 ALA 37 -3.334 -0.138 3.725 287 HB2 ALA 37 HB2 ALA 37 -3.850 1.399 4.442 288 HB3 ALA 37 HB3 ALA 37 -2.146 1.142 3.993 289 H ASP 38 H ASP 38 -0.849 1.902 5.708 290 HA ASP 38 HA ASP 38 -2.040 3.469 7.924 291 HB2 ASP 38 HB2 ASP 38 -0.080 2.012 8.671 292 HB3 ASP 38 HB3 ASP 38 0.938 2.985 7.619 293 H LEU 39 H LEU 39 0.856 4.489 6.648 294 HA LEU 39 HA LEU 39 -0.013 5.836 4.232 295 HB2 LEU 39 HB2 LEU 39 -1.382 7.190 5.774 296 HB3 LEU 39 HB3 LEU 39 0.011 7.437 6.818 297 HG LEU 39 HG LEU 39 1.112 8.775 5.049 298 HD11 LEU 39 HD11 LEU 39 -0.193 9.492 3.071 299 HD12 LEU 39 HD12 LEU 39 -1.528 8.444 3.546 300 HD13 LEU 39 HD13 LEU 39 0.015 7.751 3.042 301 HD21 LEU 39 HD21 LEU 39 -0.288 10.740 5.248 302 HD22 LEU 39 HD22 LEU 39 -0.223 9.867 6.782 303 HD23 LEU 39 HD23 LEU 39 -1.666 9.746 5.756 304 H ALA 40 H ALA 40 1.810 6.266 3.108 305 HA ALA 40 HA ALA 40 4.108 7.562 4.228 306 HB1 ALA 40 HB1 ALA 40 5.624 5.959 4.503 307 HB2 ALA 40 HB2 ALA 40 4.250 4.850 4.670 308 HB3 ALA 40 HB3 ALA 40 5.083 5.013 3.117 309 HA PRO 41 HA PRO 41 2.661 8.177 -0.120 310 HB2 PRO 41 HB2 PRO 41 3.155 10.915 -0.198 311 HB3 PRO 41 HB3 PRO 41 1.607 10.152 0.322 312 HG2 PRO 41 HG2 PRO 41 3.869 11.193 1.998 313 HG3 PRO 41 HG3 PRO 41 2.108 11.345 2.293 314 HD2 PRO 41 HD2 PRO 41 3.668 9.513 3.571 315 HD3 PRO 41 HD3 PRO 41 1.988 9.145 3.113 316 H LEU 42 H LEU 42 3.860 8.520 -2.023 317 HA LEU 42 HA LEU 42 6.580 7.958 -1.823 318 HB2 LEU 42 HB2 LEU 42 4.775 8.158 -3.921 319 HB3 LEU 42 HB3 LEU 42 5.879 9.460 -4.265 320 HG LEU 42 HG LEU 42 7.103 8.021 -5.332 321 HD11 LEU 42 HD11 LEU 42 7.864 6.508 -2.819 322 HD12 LEU 42 HD12 LEU 42 8.477 8.110 -3.188 323 HD13 LEU 42 HD13 LEU 42 8.807 6.777 -4.310 324 HD21 LEU 42 HD21 LEU 42 6.766 5.573 -5.250 325 HD22 LEU 42 HD22 LEU 42 5.211 6.424 -5.319 326 HD23 LEU 42 HD23 LEU 42 5.796 5.771 -3.768 327 H SER 43 H SER 43 4.906 11.019 -1.964 328 HA SER 43 HA SER 43 6.983 12.779 -2.462 329 HB2 SER 43 HB2 SER 43 4.594 13.270 -0.630 330 HB3 SER 43 HB3 SER 43 5.425 14.446 -1.671 331 HG SER 43 HG SER 43 4.730 13.246 -3.470 332 H VAL 44 H VAL 44 6.557 10.849 0.369 333 HA VAL 44 HA VAL 44 8.378 12.579 1.999 334 HB VAL 44 HB VAL 44 6.317 10.485 2.790 335 HG11 VAL 44 HG11 VAL 44 8.233 10.183 4.288 336 HG12 VAL 44 HG12 VAL 44 8.321 11.936 4.571 337 HG13 VAL 44 HG13 VAL 44 6.926 11.001 5.150 338 HG21 VAL 44 HG21 VAL 44 5.467 12.802 2.287 339 HG22 VAL 44 HG22 VAL 44 5.263 12.351 3.980 340 HG23 VAL 44 HG23 VAL 44 6.578 13.446 3.506 341 H LEU 45 H LEU 45 7.797 9.284 0.709 342 HA LEU 45 HA LEU 45 10.110 8.047 1.833 343 HB2 LEU 45 HB2 LEU 45 8.314 7.495 -0.536 344 HB3 LEU 45 HB3 LEU 45 9.818 6.653 -0.450 345 HG LEU 45 HG LEU 45 7.780 5.455 0.524 346 HD11 LEU 45 HD11 LEU 45 10.265 5.735 2.169 347 HD12 LEU 45 HD12 LEU 45 9.987 4.639 0.810 348 HD13 LEU 45 HD13 LEU 45 9.074 4.411 2.303 349 HD21 LEU 45 HD21 LEU 45 8.284 7.256 2.938 350 HD22 LEU 45 HD22 LEU 45 7.229 5.842 2.854 351 HD23 LEU 45 HD23 LEU 45 6.836 7.282 1.904 352 H GLU 46 H GLU 46 9.617 9.661 -1.331 353 HA GLU 46 HA GLU 46 12.240 9.271 -2.317 354 HB2 GLU 46 HB2 GLU 46 10.075 11.293 -2.886 355 HB3 GLU 46 HB3 GLU 46 11.614 11.362 -3.718 356 HG2 GLU 46 HG2 GLU 46 10.512 8.609 -3.631 357 HG3 GLU 46 HG3 GLU 46 9.409 9.755 -4.386 358 H GLN 47 H GLN 47 10.904 11.693 -0.140 359 HA GLN 47 HA GLN 47 13.141 13.521 -0.309 360 HB2 GLN 47 HB2 GLN 47 10.621 13.268 1.380 361 HB3 GLN 47 HB3 GLN 47 11.914 14.332 1.892 362 HG2 GLN 47 HG2 GLN 47 11.832 15.417 -0.414 363 HG3 GLN 47 HG3 GLN 47 10.386 14.451 -0.724 364 HE21 GLN 47 HE21 GLN 47 8.711 15.944 -0.617 365 HE22 GLN 47 HE22 GLN 47 8.490 17.159 0.615 366 H SER 48 H SER 48 12.082 11.185 2.138 367 HA SER 48 HA SER 48 14.840 11.367 3.303 368 HB2 SER 48 HB2 SER 48 13.202 12.763 4.551 369 HB3 SER 48 HB3 SER 48 12.228 11.316 4.859 370 HG SER 48 HG SER 48 13.638 11.949 6.530 371 H GLY 49 H GLY 49 11.822 9.414 3.206 372 HA2 GLY 49 HA2 GLY 49 12.451 7.042 2.456 373 HA3 GLY 49 HA3 GLY 49 13.500 7.007 3.874 374 H LEU 50 H LEU 50 12.055 5.040 4.076 375 HA LEU 50 HA LEU 50 9.338 5.312 4.940 376 HB2 LEU 50 HB2 LEU 50 10.460 3.286 3.822 377 HB3 LEU 50 HB3 LEU 50 11.290 3.007 5.347 378 HG LEU 50 HG LEU 50 8.995 2.821 6.450 379 HD11 LEU 50 HD11 LEU 50 7.645 3.927 4.602 380 HD12 LEU 50 HD12 LEU 50 7.068 2.325 5.081 381 HD13 LEU 50 HD13 LEU 50 7.996 2.524 3.579 382 HD21 LEU 50 HD21 LEU 50 8.639 0.511 5.618 383 HD22 LEU 50 HD22 LEU 50 10.368 0.840 5.832 384 HD23 LEU 50 HD23 LEU 50 9.653 0.840 4.212 385 HA PRO 51 HA PRO 51 10.429 6.318 9.161 386 HB2 PRO 51 HB2 PRO 51 8.055 5.933 10.472 387 HB3 PRO 51 HB3 PRO 51 8.323 7.282 9.350 388 HG2 PRO 51 HG2 PRO 51 6.943 4.649 8.836 389 HG3 PRO 51 HG3 PRO 51 6.409 6.286 8.343 390 HD2 PRO 51 HD2 PRO 51 7.722 4.547 6.689 391 HD3 PRO 51 HD3 PRO 51 7.914 6.298 6.520 392 H ALA 52 H ALA 52 10.818 5.377 11.188 393 HA ALA 52 HA ALA 52 11.540 2.713 11.331 394 HB1 ALA 52 HB1 ALA 52 12.383 4.481 12.812 395 HB2 ALA 52 HB2 ALA 52 10.808 4.543 13.638 396 HB3 ALA 52 HB3 ALA 52 11.806 3.077 13.732 397 H LYS 53 H LYS 53 8.382 4.016 11.740 398 HA LYS 53 HA LYS 53 7.230 2.032 13.443 399 HB2 LYS 53 HB2 LYS 53 5.836 3.950 11.527 400 HB3 LYS 53 HB3 LYS 53 5.070 3.012 12.737 401 HG2 LYS 53 HG2 LYS 53 5.148 4.830 13.954 402 HG3 LYS 53 HG3 LYS 53 6.773 4.196 14.385 403 HD2 LYS 53 HD2 LYS 53 7.788 5.467 12.717 404 HD3 LYS 53 HD3 LYS 53 6.219 5.950 12.013 405 HE2 LYS 53 HE2 LYS 53 7.025 6.754 14.827 406 HE3 LYS 53 HE3 LYS 53 7.576 7.692 13.429 407 HZ1 LYS 53 HZ1 LYS 53 5.297 8.100 12.823 408 HZ2 LYS 53 HZ2 LYS 53 5.564 8.619 14.324 409 HZ3 LYS 53 HZ3 LYS 53 4.740 7.227 14.120 410 H LEU 54 H LEU 54 6.640 2.828 10.094 411 HA LEU 54 HA LEU 54 5.271 0.370 9.427 412 HB2 LEU 54 HB2 LEU 54 6.218 2.636 7.644 413 HB3 LEU 54 HB3 LEU 54 5.065 1.391 7.184 414 HG LEU 54 HG LEU 54 4.657 3.441 9.385 415 HD11 LEU 54 HD11 LEU 54 4.566 4.318 7.047 416 HD12 LEU 54 HD12 LEU 54 3.047 4.457 7.932 417 HD13 LEU 54 HD13 LEU 54 3.232 3.179 6.719 418 HD21 LEU 54 HD21 LEU 54 2.361 2.593 9.529 419 HD22 LEU 54 HD22 LEU 54 3.486 1.353 9.980 420 HD23 LEU 54 HD23 LEU 54 2.738 1.303 8.357 421 H ARG 55 H ARG 55 8.473 0.673 9.684 422 HA ARG 55 HA ARG 55 9.351 -0.707 7.288 423 HB2 ARG 55 HB2 ARG 55 11.571 -0.505 8.186 424 HB3 ARG 55 HB3 ARG 55 10.717 0.994 8.467 425 HG2 ARG 55 HG2 ARG 55 11.423 0.837 10.580 426 HG3 ARG 55 HG3 ARG 55 10.143 -0.340 10.825 427 HD2 ARG 55 HD2 ARG 55 12.426 -1.728 9.756 428 HD3 ARG 55 HD3 ARG 55 13.021 -0.606 10.976 429 HE ARG 55 HE ARG 55 10.734 -2.133 11.911 430 HH11 ARG 55 HH11 ARG 55 14.156 -2.492 11.118 431 HH12 ARG 55 HH12 ARG 55 14.422 -3.790 12.258 432 HH21 ARG 55 HH21 ARG 55 11.130 -3.717 13.537 433 HH22 ARG 55 HH22 ARG 55 12.629 -4.565 13.595 434 H HIS 56 H HIS 56 7.365 -2.082 8.690 435 HA HIS 56 HA HIS 56 8.229 -4.228 10.272 436 HB2 HIS 56 HB2 HIS 56 5.818 -3.555 9.625 437 HB3 HIS 56 HB3 HIS 56 6.061 -4.573 8.197 438 HD1 HIS 56 HD1 HIS 56 5.814 -7.236 8.658 439 HD2 HIS 56 HD2 HIS 56 5.946 -4.757 12.069 440 HE1 HIS 56 HE1 HIS 56 5.455 -8.747 10.656 441 H GLU 57 H GLU 57 8.747 -6.389 9.804 442 HA GLU 57 HA GLU 57 10.839 -6.919 8.166 443 HB2 GLU 57 HB2 GLU 57 8.618 -8.701 9.190 444 HB3 GLU 57 HB3 GLU 57 10.012 -9.358 8.332 445 HG2 GLU 57 HG2 GLU 57 11.545 -8.759 9.976 446 HG3 GLU 57 HG3 GLU 57 10.475 -7.557 10.705 447 H GLN 58 H GLN 58 7.485 -6.936 6.993 448 HA GLN 58 HA GLN 58 8.390 -7.238 4.260 449 HB2 GLN 58 HB2 GLN 58 6.287 -9.168 5.380 450 HB3 GLN 58 HB3 GLN 58 6.882 -9.084 3.717 451 HG2 GLN 58 HG2 GLN 58 9.176 -9.731 4.610 452 HG3 GLN 58 HG3 GLN 58 8.411 -9.999 6.186 453 HE21 GLN 58 HE21 GLN 58 9.801 -12.057 5.169 454 HE22 GLN 58 HE22 GLN 58 8.645 -13.310 4.745 455 H ILE 59 H ILE 59 7.197 -5.920 2.994 456 HA ILE 59 HA ILE 59 4.538 -5.132 3.957 457 HB ILE 59 HB ILE 59 4.934 -2.883 3.977 458 HG12 ILE 59 HG12 ILE 59 7.590 -3.281 2.577 459 HG13 ILE 59 HG13 ILE 59 6.136 -2.611 1.854 460 HG21 ILE 59 HG21 ILE 59 6.684 -2.417 5.605 461 HG22 ILE 59 HG22 ILE 59 6.010 -3.998 5.939 462 HG23 ILE 59 HG23 ILE 59 7.567 -3.867 5.115 463 HD11 ILE 59 HD11 ILE 59 7.650 -0.825 2.361 464 HD12 ILE 59 HD12 ILE 59 6.186 -0.694 3.364 465 HD13 ILE 59 HD13 ILE 59 7.729 -1.276 4.054 466 H ILE 60 H ILE 60 3.467 -3.734 2.223 467 HA ILE 60 HA ILE 60 4.233 -4.477 -0.536 468 HB ILE 60 HB ILE 60 1.483 -4.710 0.737 469 HG12 ILE 60 HG12 ILE 60 2.187 -7.212 -0.420 470 HG13 ILE 60 HG13 ILE 60 3.601 -6.697 0.448 471 HG21 ILE 60 HG21 ILE 60 1.186 -4.015 -1.577 472 HG22 ILE 60 HG22 ILE 60 2.291 -5.297 -2.138 473 HG23 ILE 60 HG23 ILE 60 0.722 -5.697 -1.408 474 HD11 ILE 60 HD11 ILE 60 2.196 -6.332 2.492 475 HD12 ILE 60 HD12 ILE 60 0.801 -6.970 1.590 476 HD13 ILE 60 HD13 ILE 60 2.220 -7.996 1.913 477 H PHE 61 H PHE 61 3.299 -2.941 -2.090 478 HA PHE 61 HA PHE 61 2.590 -0.275 -0.992 479 HB2 PHE 61 HB2 PHE 61 4.454 -0.959 -3.298 480 HB3 PHE 61 HB3 PHE 61 3.868 0.647 -2.926 481 HD1 PHE 61 HD1 PHE 61 4.195 0.959 -0.073 482 HD2 PHE 61 HD2 PHE 61 6.751 -1.107 -2.864 483 HE1 PHE 61 HE1 PHE 61 6.172 1.417 1.370 484 HE2 PHE 61 HE2 PHE 61 8.716 -0.580 -1.453 485 HZ PHE 61 HZ PHE 61 8.386 0.679 0.702 486 H HIS 62 H HIS 62 0.921 0.727 -2.114 487 HA HIS 62 HA HIS 62 -0.060 -0.313 -4.672 488 HB2 HIS 62 HB2 HIS 62 -2.315 -0.679 -3.820 489 HB3 HIS 62 HB3 HIS 62 -1.174 -1.714 -2.968 490 HD1 HIS 62 HD1 HIS 62 -1.340 1.780 -1.545 491 HD2 HIS 62 HD2 HIS 62 -3.326 -1.919 -1.169 492 HE1 HIS 62 HE1 HIS 62 -2.495 1.784 0.748 493 H CYS 63 H CYS 63 -1.587 1.229 -5.652 494 HA CYS 63 HA CYS 63 -1.637 3.903 -4.374 495 HB2 CYS 63 HB2 CYS 63 -1.075 5.008 -6.422 496 HB3 CYS 63 HB3 CYS 63 0.167 3.809 -6.120 497 HG CYS 63 HG CYS 63 -0.932 1.944 -7.694 498 H GLN 64 H GLN 64 -3.209 5.118 -6.421 499 HA GLN 64 HA GLN 64 -5.806 4.172 -5.600 500 HB2 GLN 64 HB2 GLN 64 -5.485 6.512 -6.097 501 HB3 GLN 64 HB3 GLN 64 -4.936 6.157 -7.737 502 HG2 GLN 64 HG2 GLN 64 -7.212 5.219 -8.271 503 HG3 GLN 64 HG3 GLN 64 -7.719 5.599 -6.625 504 HE21 GLN 64 HE21 GLN 64 -7.421 6.795 -9.854 505 HE22 GLN 64 HE22 GLN 64 -7.623 8.489 -9.518 506 H ALA 65 H ALA 65 -4.258 4.232 -8.823 507 HA ALA 65 HA ALA 65 -4.692 1.633 -9.712 508 HB1 ALA 65 HB1 ALA 65 -6.997 3.532 -10.386 509 HB2 ALA 65 HB2 ALA 65 -6.582 2.116 -11.370 510 HB3 ALA 65 HB3 ALA 65 -7.094 1.887 -9.699 511 H GLY 66 H GLY 66 -2.573 2.113 -10.714 512 HA2 GLY 66 HA2 GLY 66 -2.613 3.244 -13.236 513 HA3 GLY 66 HA3 GLY 66 -2.217 4.591 -12.165 514 H LYS 67 H LYS 67 -0.495 4.158 -14.006 515 HA LYS 67 HA LYS 67 1.543 2.230 -13.588 516 HB2 LYS 67 HB2 LYS 67 1.520 4.872 -15.126 517 HB3 LYS 67 HB3 LYS 67 2.891 3.759 -15.112 518 HG2 LYS 67 HG2 LYS 67 1.292 1.918 -15.802 519 HG3 LYS 67 HG3 LYS 67 0.114 3.195 -16.168 520 HD2 LYS 67 HD2 LYS 67 1.699 4.140 -17.837 521 HD3 LYS 67 HD3 LYS 67 2.910 2.909 -17.371 522 HE2 LYS 67 HE2 LYS 67 1.336 1.113 -17.956 523 HE3 LYS 67 HE3 LYS 67 0.127 2.306 -18.438 524 HZ1 LYS 67 HZ1 LYS 67 2.721 1.834 -19.766 525 HZ2 LYS 67 HZ2 LYS 67 1.646 3.027 -20.171 526 HZ3 LYS 67 HZ3 LYS 67 1.217 1.441 -20.308 527 H ARG 68 H ARG 68 0.853 4.501 -11.333 528 HA ARG 68 HA ARG 68 3.460 5.621 -10.809 529 HB2 ARG 68 HB2 ARG 68 1.094 4.990 -8.960 530 HB3 ARG 68 HB3 ARG 68 2.583 5.761 -8.421 531 HG2 ARG 68 HG2 ARG 68 0.688 6.931 -10.501 532 HG3 ARG 68 HG3 ARG 68 0.805 7.384 -8.793 533 HD2 ARG 68 HD2 ARG 68 3.334 7.823 -9.287 534 HD3 ARG 68 HD3 ARG 68 2.853 7.770 -10.995 535 HE ARG 68 HE ARG 68 1.389 9.551 -9.148 536 HH11 ARG 68 HH11 ARG 68 4.057 9.314 -11.527 537 HH12 ARG 68 HH12 ARG 68 4.088 11.038 -11.803 538 HH21 ARG 68 HH21 ARG 68 1.458 11.847 -9.647 539 HH22 ARG 68 HH22 ARG 68 2.729 12.446 -10.658 540 H THR 69 H THR 69 1.820 2.555 -9.687 541 HA THR 69 HA THR 69 4.031 1.779 -8.093 542 HB THR 69 HB THR 69 2.661 -0.550 -8.633 543 HG1 THR 69 HG1 THR 69 1.084 0.320 -9.985 544 HG21 THR 69 HG21 THR 69 3.006 0.702 -6.414 545 HG22 THR 69 HG22 THR 69 1.414 -0.044 -6.605 546 HG23 THR 69 HG23 THR 69 1.605 1.703 -6.847 547 H SER 70 H SER 70 5.405 -0.082 -8.526 548 HA SER 70 HA SER 70 7.150 -0.993 -9.434 549 HB2 SER 70 HB2 SER 70 6.946 -1.820 -11.902 550 HB3 SER 70 HB3 SER 70 6.150 -2.596 -10.552 551 HG SER 70 HG SER 70 4.607 -2.473 -11.946 552 H ASN 71 H ASN 71 6.116 1.613 -11.569 553 HA ASN 71 HA ASN 71 8.354 2.175 -13.004 554 HB2 ASN 71 HB2 ASN 71 5.964 3.568 -12.104 555 HB3 ASN 71 HB3 ASN 71 7.271 4.708 -12.171 556 HD21 ASN 71 HD21 ASN 71 4.822 4.161 -13.960 557 HD22 ASN 71 HD22 ASN 71 5.520 4.307 -15.577 558 H ASN 72 H ASN 72 8.578 2.201 -9.698 559 HA ASN 72 HA ASN 72 11.065 3.778 -9.721 560 HB2 ASN 72 HB2 ASN 72 8.838 4.315 -7.704 561 HB3 ASN 72 HB3 ASN 72 10.486 4.915 -7.572 562 HD21 ASN 72 HD21 ASN 72 7.442 5.396 -9.114 563 HD22 ASN 72 HD22 ASN 72 7.903 6.693 -10.221 564 H ALA 73 H ALA 73 10.033 0.857 -9.456 565 HA ALA 73 HA ALA 73 10.289 -0.224 -6.940 566 HB1 ALA 73 HB1 ALA 73 10.989 -2.286 -8.095 567 HB2 ALA 73 HB2 ALA 73 9.692 -1.493 -9.016 568 HB3 ALA 73 HB3 ALA 73 11.377 -1.366 -9.552 569 H ASP 74 H ASP 74 12.755 0.783 -9.090 570 HA ASP 74 HA ASP 74 15.116 -0.303 -8.168 571 HB2 ASP 74 HB2 ASP 74 14.566 1.308 -10.143 572 HB3 ASP 74 HB3 ASP 74 14.905 2.611 -9.030 573 H LYS 75 H LYS 75 13.770 2.811 -7.155 574 HA LYS 75 HA LYS 75 15.562 2.935 -4.832 575 HB2 LYS 75 HB2 LYS 75 13.372 4.971 -5.329 576 HB3 LYS 75 HB3 LYS 75 14.934 5.149 -4.532 577 HG2 LYS 75 HG2 LYS 75 15.470 6.167 -6.529 578 HG3 LYS 75 HG3 LYS 75 15.844 4.523 -6.994 579 HD2 LYS 75 HD2 LYS 75 14.416 4.955 -8.724 580 HD3 LYS 75 HD3 LYS 75 13.156 4.531 -7.552 581 HE2 LYS 75 HE2 LYS 75 14.029 7.235 -8.577 582 HE3 LYS 75 HE3 LYS 75 12.407 6.525 -8.512 583 HZ1 LYS 75 HZ1 LYS 75 12.677 6.801 -6.001 584 HZ2 LYS 75 HZ2 LYS 75 12.446 8.158 -6.854 585 HZ3 LYS 75 HZ3 LYS 75 13.941 7.805 -6.368 586 H LEU 76 H LEU 76 12.061 2.560 -5.475 587 HA LEU 76 HA LEU 76 11.168 2.656 -2.808 588 HB2 LEU 76 HB2 LEU 76 10.165 0.962 -5.126 589 HB3 LEU 76 HB3 LEU 76 9.373 0.919 -3.555 590 HG LEU 76 HG LEU 76 9.718 3.419 -5.241 591 HD11 LEU 76 HD11 LEU 76 8.186 1.776 -6.277 592 HD12 LEU 76 HD12 LEU 76 7.300 3.193 -5.688 593 HD13 LEU 76 HD13 LEU 76 7.252 1.681 -4.760 594 HD21 LEU 76 HD21 LEU 76 8.030 4.364 -3.623 595 HD22 LEU 76 HD22 LEU 76 9.503 3.903 -2.763 596 HD23 LEU 76 HD23 LEU 76 8.053 2.869 -2.697 597 H ALA 77 H ALA 77 12.276 -0.331 -4.505 598 HA ALA 77 HA ALA 77 11.948 -1.995 -2.178 599 HB1 ALA 77 HB1 ALA 77 12.188 -2.854 -4.512 600 HB2 ALA 77 HB2 ALA 77 13.880 -2.317 -4.521 601 HB3 ALA 77 HB3 ALA 77 13.358 -3.586 -3.399 602 H ALA 78 H ALA 78 14.655 0.102 -3.251 603 HA ALA 78 HA ALA 78 16.536 -0.916 -1.347 604 HB1 ALA 78 HB1 ALA 78 16.486 1.785 -2.769 605 HB2 ALA 78 HB2 ALA 78 17.868 1.046 -1.948 606 HB3 ALA 78 HB3 ALA 78 17.200 0.291 -3.411 607 H ILE 79 H ILE 79 14.487 2.019 -1.372 608 HA ILE 79 HA ILE 79 15.208 3.158 1.076 609 HB ILE 79 HB ILE 79 12.499 3.207 -0.389 610 HG12 ILE 79 HG12 ILE 79 14.472 5.503 -0.252 611 HG13 ILE 79 HG13 ILE 79 14.646 4.280 -1.495 612 HG21 ILE 79 HG21 ILE 79 12.192 5.340 0.986 613 HG22 ILE 79 HG22 ILE 79 12.095 3.841 1.913 614 HG23 ILE 79 HG23 ILE 79 13.575 4.835 1.966 615 HD11 ILE 79 HD11 ILE 79 12.156 6.036 -1.083 616 HD12 ILE 79 HD12 ILE 79 13.351 6.160 -2.377 617 HD13 ILE 79 HD13 ILE 79 12.305 4.736 -2.276 618 H ALA 80 H ALA 80 12.593 0.828 0.372 619 HA ALA 80 HA ALA 80 11.608 0.627 3.046 620 HB1 ALA 80 HB1 ALA 80 10.377 0.078 0.944 621 HB2 ALA 80 HB2 ALA 80 11.413 -1.344 0.755 622 HB3 ALA 80 HB3 ALA 80 10.312 -1.225 2.154 623 H ALA 81 H ALA 81 13.996 -1.392 1.236 624 HA ALA 81 HA ALA 81 14.077 -3.435 3.219 625 HB1 ALA 81 HB1 ALA 81 16.027 -2.507 1.083 626 HB2 ALA 81 HB2 ALA 81 16.303 -3.949 2.067 627 HB3 ALA 81 HB3 ALA 81 14.895 -3.876 0.997 628 HA PRO 82 HA PRO 82 16.218 -4.728 4.116 629 HB2 PRO 82 HB2 PRO 82 16.728 -5.396 6.703 630 HB3 PRO 82 HB3 PRO 82 17.990 -4.870 5.551 631 HG2 PRO 82 HG2 PRO 82 16.513 -3.206 7.617 632 HG3 PRO 82 HG3 PRO 82 18.267 -3.261 7.305 633 HD2 PRO 82 HD2 PRO 82 16.604 -1.321 6.297 634 HD3 PRO 82 HD3 PRO 82 17.988 -1.923 5.357 635 H ALA 83 H ALA 83 14.427 -5.756 3.944 636 HA ALA 83 HA ALA 83 12.693 -6.941 5.469 637 HB1 ALA 83 HB1 ALA 83 10.616 -5.400 5.285 638 HB2 ALA 83 HB2 ALA 83 11.747 -5.113 6.609 639 HB3 ALA 83 HB3 ALA 83 11.791 -4.068 5.177 640 H GLU 84 H GLU 84 10.667 -7.445 4.089 641 HA GLU 84 HA GLU 84 11.477 -7.711 1.263 642 HB2 GLU 84 HB2 GLU 84 10.626 -9.580 2.821 643 HB3 GLU 84 HB3 GLU 84 9.066 -8.798 2.512 644 HG2 GLU 84 HG2 GLU 84 9.221 -10.575 0.983 645 HG3 GLU 84 HG3 GLU 84 9.486 -9.097 0.047 646 H ILE 85 H ILE 85 10.090 -6.973 -0.522 647 HA ILE 85 HA ILE 85 7.877 -5.188 0.227 648 HB ILE 85 HB ILE 85 8.736 -3.833 -1.786 649 HG12 ILE 85 HG12 ILE 85 10.779 -5.469 -2.037 650 HG13 ILE 85 HG13 ILE 85 10.940 -3.770 -2.335 651 HG21 ILE 85 HG21 ILE 85 8.264 -2.884 0.313 652 HG22 ILE 85 HG22 ILE 85 9.845 -3.403 0.936 653 HG23 ILE 85 HG23 ILE 85 9.743 -2.223 -0.391 654 HD11 ILE 85 HD11 ILE 85 11.674 -5.080 0.331 655 HD12 ILE 85 HD12 ILE 85 12.824 -4.730 -0.978 656 HD13 ILE 85 HD13 ILE 85 11.990 -3.408 -0.148 657 H PHE 86 H PHE 86 6.129 -5.418 -1.052 658 HA PHE 86 HA PHE 86 6.409 -6.750 -3.707 659 HB2 PHE 86 HB2 PHE 86 4.177 -7.234 -1.710 660 HB3 PHE 86 HB3 PHE 86 4.297 -7.933 -3.305 661 HD1 PHE 86 HD1 PHE 86 5.454 -8.128 0.157 662 HD2 PHE 86 HD2 PHE 86 5.938 -9.725 -3.824 663 HE1 PHE 86 HE1 PHE 86 6.760 -10.040 1.069 664 HE2 PHE 86 HE2 PHE 86 7.266 -11.602 -2.916 665 HZ PHE 86 HZ PHE 86 7.690 -11.758 -0.475 666 H LEU 87 H LEU 87 4.102 -6.463 -4.852 667 HA LEU 87 HA LEU 87 3.139 -3.679 -4.505 668 HB2 LEU 87 HB2 LEU 87 4.001 -5.153 -7.035 669 HB3 LEU 87 HB3 LEU 87 2.837 -3.836 -7.106 670 HG LEU 87 HG LEU 87 5.627 -3.527 -5.949 671 HD11 LEU 87 HD11 LEU 87 4.585 -2.668 -8.684 672 HD12 LEU 87 HD12 LEU 87 5.596 -4.093 -8.419 673 HD13 LEU 87 HD13 LEU 87 6.237 -2.483 -8.056 674 HD21 LEU 87 HD21 LEU 87 3.478 -1.555 -6.804 675 HD22 LEU 87 HD22 LEU 87 5.120 -1.081 -6.287 676 HD23 LEU 87 HD23 LEU 87 3.998 -1.850 -5.156 677 H LEU 88 H LEU 88 0.963 -3.437 -5.311 678 HA LEU 88 HA LEU 88 -0.618 -5.945 -5.058 679 HB2 LEU 88 HB2 LEU 88 -1.066 -4.002 -3.575 680 HB3 LEU 88 HB3 LEU 88 -1.453 -3.008 -4.980 681 HG LEU 88 HG LEU 88 -2.948 -5.600 -4.836 682 HD11 LEU 88 HD11 LEU 88 -4.452 -4.932 -3.079 683 HD12 LEU 88 HD12 LEU 88 -3.550 -3.422 -2.810 684 HD13 LEU 88 HD13 LEU 88 -2.805 -4.966 -2.429 685 HD21 LEU 88 HD21 LEU 88 -4.844 -4.169 -5.454 686 HD22 LEU 88 HD22 LEU 88 -3.455 -3.762 -6.477 687 HD23 LEU 88 HD23 LEU 88 -3.890 -2.709 -5.126 688 H GLU 89 H GLU 89 -2.251 -6.341 -6.698 689 HA GLU 89 HA GLU 89 -1.477 -6.392 -9.264 690 HB2 GLU 89 HB2 GLU 89 -3.425 -7.563 -8.159 691 HB3 GLU 89 HB3 GLU 89 -4.385 -6.114 -8.449 692 HG2 GLU 89 HG2 GLU 89 -3.231 -6.539 -10.957 693 HG3 GLU 89 HG3 GLU 89 -3.322 -8.180 -10.331 694 H ASP 90 H ASP 90 -4.084 -4.001 -8.410 695 HA ASP 90 HA ASP 90 -2.816 -2.143 -10.391 696 HB2 ASP 90 HB2 ASP 90 -4.683 -3.302 -11.472 697 HB3 ASP 90 HB3 ASP 90 -5.785 -2.704 -10.217 698 H GLY 91 H GLY 91 -5.255 -2.260 -7.638 699 HA2 GLY 91 HA2 GLY 91 -4.024 -0.215 -6.225 700 HA3 GLY 91 HA3 GLY 91 -5.089 0.575 -7.384 701 H ILE 92 H ILE 92 -6.090 1.366 -5.408 702 HA ILE 92 HA ILE 92 -7.379 -0.197 -3.435 703 HB ILE 92 HB ILE 92 -6.695 2.282 -3.543 704 HG12 ILE 92 HG12 ILE 92 -7.481 1.423 -1.513 705 HG13 ILE 92 HG13 ILE 92 -8.234 2.985 -1.823 706 HG21 ILE 92 HG21 ILE 92 -8.352 3.941 -3.998 707 HG22 ILE 92 HG22 ILE 92 -8.045 2.985 -5.457 708 HG23 ILE 92 HG23 ILE 92 -9.517 2.709 -4.511 709 HD11 ILE 92 HD11 ILE 92 -10.328 1.761 -2.519 710 HD12 ILE 92 HD12 ILE 92 -9.547 0.287 -1.866 711 HD13 ILE 92 HD13 ILE 92 -9.870 1.655 -0.806 712 H ASP 93 H ASP 93 -8.457 0.812 -6.656 713 HA ASP 93 HA ASP 93 -11.207 0.293 -6.408 714 HB2 ASP 93 HB2 ASP 93 -10.008 1.355 -8.351 715 HB3 ASP 93 HB3 ASP 93 -9.491 -0.255 -8.864 716 H GLY 94 H GLY 94 -8.528 -1.970 -7.125 717 HA2 GLY 94 HA2 GLY 94 -10.137 -4.298 -7.502 718 HA3 GLY 94 HA3 GLY 94 -8.405 -4.256 -7.106 719 H TRP 95 H TRP 95 -8.463 -2.919 -4.640 720 HA TRP 95 HA TRP 95 -8.878 -4.940 -2.756 721 HB2 TRP 95 HB2 TRP 95 -7.592 -2.762 -2.465 722 HB3 TRP 95 HB3 TRP 95 -9.122 -1.974 -2.134 723 HD1 TRP 95 HD1 TRP 95 -10.371 -2.685 0.224 724 HE1 TRP 95 HE1 TRP 95 -9.427 -3.642 2.395 725 HE3 TRP 95 HE3 TRP 95 -5.838 -4.114 -1.501 726 HZ2 TRP 95 HZ2 TRP 95 -7.083 -5.224 3.179 727 HZ3 TRP 95 HZ3 TRP 95 -4.218 -5.351 -0.018 728 HH2 TRP 95 HH2 TRP 95 -4.888 -5.946 2.310 729 H LYS 96 H LYS 96 -10.953 -2.142 -3.547 730 HA LYS 96 HA LYS 96 -13.127 -2.875 -1.845 731 HB2 LYS 96 HB2 LYS 96 -13.025 -1.059 -4.293 732 HB3 LYS 96 HB3 LYS 96 -14.417 -1.252 -3.228 733 HG2 LYS 96 HG2 LYS 96 -12.836 -0.619 -1.268 734 HG3 LYS 96 HG3 LYS 96 -11.692 -0.166 -2.526 735 HD2 LYS 96 HD2 LYS 96 -12.832 1.860 -1.944 736 HD3 LYS 96 HD3 LYS 96 -13.525 1.337 -3.492 737 HE2 LYS 96 HE2 LYS 96 -15.221 0.014 -1.897 738 HE3 LYS 96 HE3 LYS 96 -14.693 1.181 -0.684 739 HZ1 LYS 96 HZ1 LYS 96 -16.656 1.885 -1.846 740 HZ2 LYS 96 HZ2 LYS 96 -15.887 1.812 -3.309 741 HZ3 LYS 96 HZ3 LYS 96 -15.426 2.933 -2.198 742 H LYS 97 H LYS 97 -12.652 -3.426 -5.408 743 HA LYS 97 HA LYS 97 -15.186 -4.654 -5.787 744 HB2 LYS 97 HB2 LYS 97 -12.526 -4.939 -7.227 745 HB3 LYS 97 HB3 LYS 97 -13.984 -5.805 -7.738 746 HG2 LYS 97 HG2 LYS 97 -15.197 -3.754 -8.148 747 HG3 LYS 97 HG3 LYS 97 -13.931 -2.775 -7.404 748 HD2 LYS 97 HD2 LYS 97 -13.713 -2.609 -9.793 749 HD3 LYS 97 HD3 LYS 97 -12.327 -3.507 -9.167 750 HE2 LYS 97 HE2 LYS 97 -13.534 -5.650 -9.757 751 HE3 LYS 97 HE3 LYS 97 -14.840 -4.684 -10.470 752 HZ1 LYS 97 HZ1 LYS 97 -13.231 -5.491 -12.067 753 HZ2 LYS 97 HZ2 LYS 97 -12.019 -4.690 -11.313 754 HZ3 LYS 97 HZ3 LYS 97 -13.257 -3.820 -12.033 755 H ALA 98 H ALA 98 -12.197 -6.023 -4.429 756 HA ALA 98 HA ALA 98 -13.031 -8.782 -4.669 757 HB1 ALA 98 HB1 ALA 98 -10.726 -8.190 -4.370 758 HB2 ALA 98 HB2 ALA 98 -11.072 -7.359 -2.828 759 HB3 ALA 98 HB3 ALA 98 -11.251 -9.120 -2.942 760 H GLY 99 H GLY 99 -14.061 -6.164 -2.657 761 HA2 GLY 99 HA2 GLY 99 -15.904 -6.188 -1.267 762 HA3 GLY 99 HA3 GLY 99 -15.769 -7.937 -1.075 763 H LEU 100 H LEU 100 -12.745 -6.293 -0.671 764 HA LEU 100 HA LEU 100 -12.629 -7.017 2.130 765 HB2 LEU 100 HB2 LEU 100 -10.777 -5.355 0.411 766 HB3 LEU 100 HB3 LEU 100 -10.379 -5.928 2.015 767 HG LEU 100 HG LEU 100 -10.866 -7.715 -0.405 768 HD11 LEU 100 HD11 LEU 100 -8.748 -6.398 -0.512 769 HD12 LEU 100 HD12 LEU 100 -8.466 -8.140 -0.352 770 HD13 LEU 100 HD13 LEU 100 -8.265 -7.087 1.060 771 HD21 LEU 100 HD21 LEU 100 -9.935 -8.353 2.422 772 HD22 LEU 100 HD22 LEU 100 -9.846 -9.480 1.054 773 HD23 LEU 100 HD23 LEU 100 -11.427 -8.935 1.641 774 HA PRO 101 HA PRO 101 -14.260 -3.236 3.717 775 HB2 PRO 101 HB2 PRO 101 -13.091 -2.934 6.166 776 HB3 PRO 101 HB3 PRO 101 -14.194 -4.276 5.750 777 HG2 PRO 101 HG2 PRO 101 -11.177 -4.289 5.782 778 HG3 PRO 101 HG3 PRO 101 -12.285 -5.498 6.493 779 HD2 PRO 101 HD2 PRO 101 -11.117 -5.798 4.004 780 HD3 PRO 101 HD3 PRO 101 -12.728 -6.470 4.409 781 H VAL 102 H VAL 102 -13.761 -1.073 4.689 782 HA VAL 102 HA VAL 102 -11.225 0.154 3.789 783 HB VAL 102 HB VAL 102 -12.787 2.140 3.130 784 HG11 VAL 102 HG11 VAL 102 -12.788 1.418 0.810 785 HG12 VAL 102 HG12 VAL 102 -11.290 0.871 1.580 786 HG13 VAL 102 HG13 VAL 102 -12.601 -0.292 1.294 787 HG21 VAL 102 HG21 VAL 102 -14.898 1.624 2.186 788 HG22 VAL 102 HG22 VAL 102 -14.752 -0.097 2.586 789 HG23 VAL 102 HG23 VAL 102 -14.897 1.121 3.882 790 H ALA 103 H ALA 103 -10.893 2.247 4.722 791 HA ALA 103 HA ALA 103 -11.776 2.489 7.527 792 HB1 ALA 103 HB1 ALA 103 -9.440 3.695 5.966 793 HB2 ALA 103 HB2 ALA 103 -9.780 3.972 7.680 794 HB3 ALA 103 HB3 ALA 103 -9.361 2.339 7.106 795 H VAL 104 H VAL 104 -13.903 3.187 6.346 796 HA VAL 104 HA VAL 104 -13.844 5.984 5.347 797 HB VAL 104 HB VAL 104 -16.322 5.565 4.989 798 HG11 VAL 104 HG11 VAL 104 -15.974 4.009 3.029 799 HG12 VAL 104 HG12 VAL 104 -14.958 5.439 3.078 800 HG13 VAL 104 HG13 VAL 104 -14.269 3.865 3.531 801 HG21 VAL 104 HG21 VAL 104 -15.594 2.655 5.478 802 HG22 VAL 104 HG22 VAL 104 -16.498 3.724 6.614 803 HG23 VAL 104 HG23 VAL 104 -17.177 3.336 5.027 804 H ASN 105 H ASN 105 -15.714 7.296 6.192 805 HA ASN 105 HA ASN 105 -16.050 7.101 9.141 806 HB2 ASN 105 HB2 ASN 105 -14.157 8.735 8.198 807 HB3 ASN 105 HB3 ASN 105 -15.525 9.801 7.907 808 HD21 ASN 105 HD21 ASN 105 -13.424 8.379 10.284 809 HD22 ASN 105 HD22 ASN 105 -14.176 9.085 11.708 810 H LYS 106 H LYS 106 -17.680 7.000 6.353 811 HA LYS 106 HA LYS 106 -20.091 8.244 7.450 812 HB2 LYS 106 HB2 LYS 106 -18.919 8.917 4.696 813 HB3 LYS 106 HB3 LYS 106 -20.600 9.181 5.162 814 HG2 LYS 106 HG2 LYS 106 -19.801 10.600 7.085 815 HG3 LYS 106 HG3 LYS 106 -18.154 10.446 6.444 816 HD2 LYS 106 HD2 LYS 106 -18.891 11.550 4.337 817 HD3 LYS 106 HD3 LYS 106 -20.513 11.776 5.050 818 HE2 LYS 106 HE2 LYS 106 -19.460 12.990 6.978 819 HE3 LYS 106 HE3 LYS 106 -17.890 12.796 6.215 820 HZ1 LYS 106 HZ1 LYS 106 -20.115 14.509 5.317 821 HZ2 LYS 106 HZ2 LYS 106 -18.856 14.124 4.293 822 HZ3 LYS 106 HZ3 LYS 106 -18.586 14.905 5.674 823 H SER 107 H SER 107 -21.615 6.643 7.306 824 HA SER 107 HA SER 107 -21.008 4.139 6.057 825 HB2 SER 107 HB2 SER 107 -22.464 4.552 8.065 826 HB3 SER 107 HB3 SER 107 -23.694 5.234 6.994 827 HG SER 107 HG SER 107 -24.009 3.254 6.097 828 H GLN 108 H GLN 108 -22.974 6.965 5.127 829 HA GLN 108 HA GLN 108 -23.559 5.755 2.476 830 HB2 GLN 108 HB2 GLN 108 -25.574 6.467 3.685 831 HB3 GLN 108 HB3 GLN 108 -24.853 8.038 4.038 832 HG2 GLN 108 HG2 GLN 108 -26.529 8.257 2.311 833 HG3 GLN 108 HG3 GLN 108 -24.955 8.659 1.652 834 HE21 GLN 108 HE21 GLN 108 -23.813 6.771 0.497 835 HE22 GLN 108 HE22 GLN 108 -24.789 5.594 -0.377 Start of MODEL 9 1 H ALA 1 H ALA 1 14.470 -8.543 -5.255 2 HA ALA 1 HA ALA 1 13.498 -6.429 -4.824 3 HB1 ALA 1 HB1 ALA 1 15.002 -6.540 -6.818 4 HB2 ALA 1 HB2 ALA 1 13.586 -6.848 -7.842 5 HB3 ALA 1 HB3 ALA 1 13.762 -5.292 -6.991 6 H LEU 2 H LEU 2 11.805 -5.010 -6.731 7 HA LEU 2 HA LEU 2 9.350 -5.487 -5.361 8 HB2 LEU 2 HB2 LEU 2 10.319 -3.734 -7.629 9 HB3 LEU 2 HB3 LEU 2 8.622 -3.933 -7.437 10 HG LEU 2 HG LEU 2 10.544 -2.727 -5.442 11 HD11 LEU 2 HD11 LEU 2 9.580 -1.309 -7.359 12 HD12 LEU 2 HD12 LEU 2 9.250 -0.713 -5.723 13 HD13 LEU 2 HD13 LEU 2 8.004 -1.549 -6.635 14 HD21 LEU 2 HD21 LEU 2 8.604 -2.236 -3.971 15 HD22 LEU 2 HD22 LEU 2 8.902 -3.965 -4.092 16 HD23 LEU 2 HD23 LEU 2 7.574 -3.256 -4.998 17 H THR 3 H THR 3 8.025 -7.033 -5.638 18 HA THR 3 HA THR 3 7.578 -8.278 -8.333 19 HB THR 3 HB THR 3 7.544 -9.570 -5.584 20 HG1 THR 3 HG1 THR 3 9.515 -9.881 -5.814 21 HG21 THR 3 HG21 THR 3 7.552 -11.727 -6.771 22 HG22 THR 3 HG22 THR 3 7.415 -10.881 -8.327 23 HG23 THR 3 HG23 THR 3 6.093 -10.804 -7.131 24 H THR 4 H THR 4 5.328 -8.750 -8.838 25 HA THR 4 HA THR 4 3.357 -7.343 -7.075 26 HB THR 4 HB THR 4 3.210 -7.945 -10.054 27 HG1 THR 4 HG1 THR 4 3.895 -5.899 -10.374 28 HG21 THR 4 HG21 THR 4 0.989 -7.632 -8.943 29 HG22 THR 4 HG22 THR 4 1.370 -6.318 -10.063 30 HG23 THR 4 HG23 THR 4 1.536 -6.074 -8.306 31 H ILE 5 H ILE 5 2.195 -8.790 -5.839 32 HA ILE 5 HA ILE 5 1.900 -11.574 -6.789 33 HB ILE 5 HB ILE 5 1.385 -12.205 -4.620 34 HG12 ILE 5 HG12 ILE 5 -0.160 -10.704 -3.717 35 HG13 ILE 5 HG13 ILE 5 1.218 -10.689 -2.649 36 HG21 ILE 5 HG21 ILE 5 3.761 -11.746 -5.036 37 HG22 ILE 5 HG22 ILE 5 3.570 -10.120 -4.334 38 HG23 ILE 5 HG23 ILE 5 3.327 -11.555 -3.331 39 HD11 ILE 5 HD11 ILE 5 0.433 -8.528 -4.641 40 HD12 ILE 5 HD12 ILE 5 0.376 -8.443 -2.875 41 HD13 ILE 5 HD13 ILE 5 1.941 -8.509 -3.702 42 H SER 6 H SER 6 -0.443 -12.556 -6.079 43 HA SER 6 HA SER 6 -2.332 -11.314 -7.785 44 HB2 SER 6 HB2 SER 6 -3.015 -13.182 -5.507 45 HB3 SER 6 HB3 SER 6 -3.809 -13.050 -7.076 46 HG SER 6 HG SER 6 -2.175 -14.840 -6.508 47 HA PRO 7 HA PRO 7 -3.817 -8.113 -5.205 48 HB2 PRO 7 HB2 PRO 7 -6.586 -8.092 -5.607 49 HB3 PRO 7 HB3 PRO 7 -5.350 -7.328 -6.654 50 HG2 PRO 7 HG2 PRO 7 -6.688 -10.018 -6.949 51 HG3 PRO 7 HG3 PRO 7 -6.323 -8.799 -8.210 52 HD2 PRO 7 HD2 PRO 7 -4.750 -10.991 -7.847 53 HD3 PRO 7 HD3 PRO 7 -4.037 -9.407 -8.262 54 H HIS 8 H HIS 8 -6.025 -10.966 -4.883 55 HA HIS 8 HA HIS 8 -6.678 -10.303 -2.191 56 HB2 HIS 8 HB2 HIS 8 -7.610 -12.100 -4.100 57 HB3 HIS 8 HB3 HIS 8 -6.925 -13.151 -2.859 58 HD1 HIS 8 HD1 HIS 8 -9.865 -10.931 -3.570 59 HD2 HIS 8 HD2 HIS 8 -7.901 -12.635 -0.262 60 HE1 HIS 8 HE1 HIS 8 -11.491 -10.763 -1.597 61 H ASP 9 H ASP 9 -3.872 -11.979 -3.482 62 HA ASP 9 HA ASP 9 -3.199 -13.457 -1.113 63 HB2 ASP 9 HB2 ASP 9 -1.940 -12.994 -3.673 64 HB3 ASP 9 HB3 ASP 9 -0.769 -12.638 -2.420 65 H ALA 10 H ALA 10 -2.701 -10.103 -2.090 66 HA ALA 10 HA ALA 10 -0.777 -9.212 -0.286 67 HB1 ALA 10 HB1 ALA 10 -1.910 -7.827 -2.043 68 HB2 ALA 10 HB2 ALA 10 -3.381 -7.774 -1.031 69 HB3 ALA 10 HB3 ALA 10 -1.885 -7.016 -0.457 70 H GLN 11 H GLN 11 -4.267 -9.539 0.210 71 HA GLN 11 HA GLN 11 -4.560 -8.522 2.815 72 HB2 GLN 11 HB2 GLN 11 -6.168 -9.669 0.837 73 HB3 GLN 11 HB3 GLN 11 -6.296 -10.824 2.146 74 HG2 GLN 11 HG2 GLN 11 -6.804 -7.839 2.378 75 HG3 GLN 11 HG3 GLN 11 -7.960 -9.070 2.100 76 HE21 GLN 11 HE21 GLN 11 -8.268 -10.561 3.619 77 HE22 GLN 11 HE22 GLN 11 -8.235 -10.221 5.382 78 H GLU 12 H GLU 12 -3.958 -11.855 1.672 79 HA GLU 12 HA GLU 12 -3.851 -13.147 4.207 80 HB2 GLU 12 HB2 GLU 12 -4.001 -14.032 1.718 81 HB3 GLU 12 HB3 GLU 12 -2.236 -13.950 1.777 82 HG2 GLU 12 HG2 GLU 12 -2.398 -15.350 3.933 83 HG3 GLU 12 HG3 GLU 12 -4.104 -15.598 3.500 84 H LEU 13 H LEU 13 -1.327 -11.408 2.285 85 HA LEU 13 HA LEU 13 0.798 -12.297 4.027 86 HB2 LEU 13 HB2 LEU 13 0.669 -9.772 2.327 87 HB3 LEU 13 HB3 LEU 13 2.108 -10.443 3.089 88 HG LEU 13 HG LEU 13 0.537 -11.608 0.768 89 HD11 LEU 13 HD11 LEU 13 2.113 -9.829 0.195 90 HD12 LEU 13 HD12 LEU 13 2.660 -11.386 -0.430 91 HD13 LEU 13 HD13 LEU 13 3.428 -10.703 1.016 92 HD21 LEU 13 HD21 LEU 13 2.289 -13.437 0.790 93 HD22 LEU 13 HD22 LEU 13 1.099 -13.526 2.088 94 HD23 LEU 13 HD23 LEU 13 2.719 -12.889 2.430 95 H ILE 14 H ILE 14 -1.203 -9.348 3.927 96 HA ILE 14 HA ILE 14 -0.063 -8.139 6.235 97 HB ILE 14 HB ILE 14 -2.817 -7.819 5.014 98 HG12 ILE 14 HG12 ILE 14 -0.640 -5.749 4.665 99 HG13 ILE 14 HG13 ILE 14 -0.424 -7.219 3.764 100 HG21 ILE 14 HG21 ILE 14 -2.583 -5.494 6.058 101 HG22 ILE 14 HG22 ILE 14 -2.917 -6.830 7.194 102 HG23 ILE 14 HG23 ILE 14 -1.273 -6.150 7.026 103 HD11 ILE 14 HD11 ILE 14 -1.661 -5.687 2.378 104 HD12 ILE 14 HD12 ILE 14 -2.760 -6.989 2.850 105 HD13 ILE 14 HD13 ILE 14 -2.873 -5.413 3.662 106 H ALA 15 H ALA 15 -2.798 -10.437 5.902 107 HA ALA 15 HA ALA 15 -3.616 -10.395 8.603 108 HB1 ALA 15 HB1 ALA 15 -4.966 -11.425 6.830 109 HB2 ALA 15 HB2 ALA 15 -3.707 -12.655 6.552 110 HB3 ALA 15 HB3 ALA 15 -4.579 -12.631 8.088 111 H ARG 16 H ARG 16 -1.171 -12.432 6.915 112 HA ARG 16 HA ARG 16 -0.461 -14.043 9.172 113 HB2 ARG 16 HB2 ARG 16 1.157 -13.188 6.741 114 HB3 ARG 16 HB3 ARG 16 1.659 -14.442 7.869 115 HG2 ARG 16 HG2 ARG 16 -0.063 -15.937 7.183 116 HG3 ARG 16 HG3 ARG 16 -1.009 -14.708 6.435 117 HD2 ARG 16 HD2 ARG 16 0.704 -14.327 4.700 118 HD3 ARG 16 HD3 ARG 16 1.785 -15.474 5.487 119 HE ARG 16 HE ARG 16 -0.447 -16.055 3.715 120 HH11 ARG 16 HH11 ARG 16 1.730 -17.458 6.200 121 HH12 ARG 16 HH12 ARG 16 0.955 -19.009 6.094 122 HH21 ARG 16 HH21 ARG 16 -0.938 -18.100 3.220 123 HH22 ARG 16 HH22 ARG 16 -0.272 -19.485 4.073 124 H GLY 17 H GLY 17 0.478 -10.792 8.198 125 HA2 GLY 17 HA2 GLY 17 1.189 -9.688 10.489 126 HA3 GLY 17 HA3 GLY 17 2.643 -10.647 10.210 127 H ALA 18 H ALA 18 1.693 -9.752 7.104 128 HA ALA 18 HA ALA 18 3.817 -7.867 6.914 129 HB1 ALA 18 HB1 ALA 18 3.277 -7.744 4.558 130 HB2 ALA 18 HB2 ALA 18 3.046 -9.421 5.076 131 HB3 ALA 18 HB3 ALA 18 1.654 -8.343 4.822 132 H LYS 19 H LYS 19 3.238 -5.770 5.475 133 HA LYS 19 HA LYS 19 1.161 -4.140 6.898 134 HB2 LYS 19 HB2 LYS 19 4.082 -3.700 6.415 135 HB3 LYS 19 HB3 LYS 19 3.088 -2.310 6.105 136 HG2 LYS 19 HG2 LYS 19 3.208 -3.808 8.737 137 HG3 LYS 19 HG3 LYS 19 4.128 -2.350 8.360 138 HD2 LYS 19 HD2 LYS 19 2.139 -1.017 8.114 139 HD3 LYS 19 HD3 LYS 19 1.073 -2.411 8.226 140 HE2 LYS 19 HE2 LYS 19 2.923 -1.536 10.475 141 HE3 LYS 19 HE3 LYS 19 1.243 -1.003 10.319 142 HZ1 LYS 19 HZ1 LYS 19 0.529 -3.275 10.488 143 HZ2 LYS 19 HZ2 LYS 19 1.488 -2.927 11.785 144 HZ3 LYS 19 HZ3 LYS 19 2.036 -3.850 10.552 145 H LEU 20 H LEU 20 0.415 -2.227 5.625 146 HA LEU 20 HA LEU 20 0.639 -2.568 2.678 147 HB2 LEU 20 HB2 LEU 20 -1.573 -3.282 3.846 148 HB3 LEU 20 HB3 LEU 20 -1.802 -1.647 4.234 149 HG LEU 20 HG LEU 20 -1.966 -0.939 1.941 150 HD11 LEU 20 HD11 LEU 20 -0.481 -2.300 0.672 151 HD12 LEU 20 HD12 LEU 20 -2.088 -2.689 0.087 152 HD13 LEU 20 HD13 LEU 20 -1.263 -3.804 1.195 153 HD21 LEU 20 HD21 LEU 20 -3.959 -1.893 3.087 154 HD22 LEU 20 HD22 LEU 20 -3.587 -3.476 2.381 155 HD23 LEU 20 HD23 LEU 20 -4.017 -2.114 1.330 156 H ILE 21 H ILE 21 1.601 -0.696 1.848 157 HA ILE 21 HA ILE 21 1.109 1.820 3.390 158 HB ILE 21 HB ILE 21 3.688 0.831 2.258 159 HG12 ILE 21 HG12 ILE 21 4.637 1.675 4.337 160 HG13 ILE 21 HG13 ILE 21 3.047 2.231 4.876 161 HG21 ILE 21 HG21 ILE 21 3.610 2.928 1.233 162 HG22 ILE 21 HG22 ILE 21 2.857 3.701 2.632 163 HG23 ILE 21 HG23 ILE 21 4.550 3.161 2.685 164 HD11 ILE 21 HD11 ILE 21 4.098 0.003 5.776 165 HD12 ILE 21 HD12 ILE 21 2.370 0.069 5.411 166 HD13 ILE 21 HD13 ILE 21 3.514 -0.694 4.257 167 H ASP 22 H ASP 22 0.109 3.191 2.518 168 HA ASP 22 HA ASP 22 -0.722 3.405 -0.234 169 HB2 ASP 22 HB2 ASP 22 -1.756 5.585 1.092 170 HB3 ASP 22 HB3 ASP 22 -2.542 4.051 0.909 171 H ILE 23 H ILE 23 0.908 4.087 -1.448 172 HA ILE 23 HA ILE 23 2.723 6.249 -0.590 173 HB ILE 23 HB ILE 23 3.900 5.715 -2.772 174 HG12 ILE 23 HG12 ILE 23 2.198 3.181 -2.733 175 HG13 ILE 23 HG13 ILE 23 1.910 4.532 -3.832 176 HG21 ILE 23 HG21 ILE 23 4.603 4.934 -0.513 177 HG22 ILE 23 HG22 ILE 23 3.673 3.451 -0.815 178 HG23 ILE 23 HG23 ILE 23 5.087 3.850 -1.820 179 HD11 ILE 23 HD11 ILE 23 4.505 2.917 -3.716 180 HD12 ILE 23 HD12 ILE 23 3.211 2.725 -4.889 181 HD13 ILE 23 HD13 ILE 23 4.125 4.242 -4.844 182 H ARG 24 H ARG 24 -0.280 6.427 -1.665 183 HA ARG 24 HA ARG 24 -0.028 7.898 -4.089 184 HB2 ARG 24 HB2 ARG 24 -2.596 8.254 -2.648 185 HB3 ARG 24 HB3 ARG 24 -2.240 7.880 -4.281 186 HG2 ARG 24 HG2 ARG 24 -1.925 5.539 -3.788 187 HG3 ARG 24 HG3 ARG 24 -1.973 5.802 -2.049 188 HD2 ARG 24 HD2 ARG 24 -4.370 6.709 -3.621 189 HD3 ARG 24 HD3 ARG 24 -4.108 4.964 -3.390 190 HE ARG 24 HE ARG 24 -3.749 6.133 -0.895 191 HH11 ARG 24 HH11 ARG 24 -6.539 6.679 -2.990 192 HH12 ARG 24 HH12 ARG 24 -7.658 5.993 -1.848 193 HH21 ARG 24 HH21 ARG 24 -5.402 5.407 0.667 194 HH22 ARG 24 HH22 ARG 24 -7.052 5.374 0.181 195 H ASP 25 H ASP 25 -1.611 9.315 -1.208 196 HA ASP 25 HA ASP 25 -0.013 11.799 -1.387 197 HB2 ASP 25 HB2 ASP 25 -2.907 11.554 -2.277 198 HB3 ASP 25 HB3 ASP 25 -2.387 13.038 -1.530 199 H ALA 26 H ALA 26 -2.118 13.254 0.221 200 HA ALA 26 HA ALA 26 -2.100 11.647 2.721 201 HB1 ALA 26 HB1 ALA 26 -1.673 13.675 3.952 202 HB2 ALA 26 HB2 ALA 26 -0.391 13.472 2.740 203 HB3 ALA 26 HB3 ALA 26 -1.691 14.649 2.457 204 H ASP 27 H ASP 27 -3.812 14.022 0.647 205 HA ASP 27 HA ASP 27 -6.069 14.442 2.343 206 HB2 ASP 27 HB2 ASP 27 -5.563 15.825 0.349 207 HB3 ASP 27 HB3 ASP 27 -5.913 14.448 -0.704 208 H GLU 28 H GLU 28 -5.246 11.953 0.081 209 HA GLU 28 HA GLU 28 -7.625 10.568 -0.385 210 HB2 GLU 28 HB2 GLU 28 -6.058 8.591 -0.674 211 HB3 GLU 28 HB3 GLU 28 -5.711 10.015 -1.628 212 HG2 GLU 28 HG2 GLU 28 -3.635 10.029 -0.953 213 HG3 GLU 28 HG3 GLU 28 -4.095 10.332 0.710 214 H TYR 29 H TYR 29 -5.197 9.853 2.129 215 HA TYR 29 HA TYR 29 -6.542 7.917 3.504 216 HB2 TYR 29 HB2 TYR 29 -4.230 8.284 3.872 217 HB3 TYR 29 HB3 TYR 29 -4.456 9.944 4.361 218 HD1 TYR 29 HD1 TYR 29 -5.497 10.469 6.625 219 HD2 TYR 29 HD2 TYR 29 -4.431 6.482 5.415 220 HE1 TYR 29 HE1 TYR 29 -5.638 9.716 8.992 221 HE2 TYR 29 HE2 TYR 29 -4.507 5.741 7.771 222 HH TYR 29 HH TYR 29 -5.816 7.751 10.344 223 H LEU 30 H LEU 30 -6.979 11.413 3.809 224 HA LEU 30 HA LEU 30 -8.607 11.272 6.217 225 HB2 LEU 30 HB2 LEU 30 -8.167 13.412 4.106 226 HB3 LEU 30 HB3 LEU 30 -9.324 13.629 5.408 227 HG LEU 30 HG LEU 30 -6.433 12.871 5.993 228 HD11 LEU 30 HD11 LEU 30 -5.938 15.234 6.319 229 HD12 LEU 30 HD12 LEU 30 -7.559 15.681 5.711 230 HD13 LEU 30 HD13 LEU 30 -6.373 14.899 4.644 231 HD21 LEU 30 HD21 LEU 30 -8.719 14.115 7.564 232 HD22 LEU 30 HD22 LEU 30 -7.059 14.154 8.133 233 HD23 LEU 30 HD23 LEU 30 -7.883 12.593 7.903 234 H ARG 31 H ARG 31 -9.294 11.268 2.723 235 HA ARG 31 HA ARG 31 -12.173 11.465 2.956 236 HB2 ARG 31 HB2 ARG 31 -10.471 10.326 0.726 237 HB3 ARG 31 HB3 ARG 31 -12.224 10.633 0.701 238 HG2 ARG 31 HG2 ARG 31 -11.854 12.979 1.213 239 HG3 ARG 31 HG3 ARG 31 -10.093 12.752 1.118 240 HD2 ARG 31 HD2 ARG 31 -10.254 12.037 -1.185 241 HD3 ARG 31 HD3 ARG 31 -12.024 12.078 -1.105 242 HE ARG 31 HE ARG 31 -10.153 14.350 -1.286 243 HH11 ARG 31 HH11 ARG 31 -13.504 13.324 -0.842 244 HH12 ARG 31 HH12 ARG 31 -14.184 14.908 -1.035 245 HH21 ARG 31 HH21 ARG 31 -11.015 16.438 -1.629 246 HH22 ARG 31 HH22 ARG 31 -12.697 16.745 -1.541 247 H GLU 32 H GLU 32 -10.107 8.682 2.140 248 HA GLU 32 HA GLU 32 -11.426 6.912 4.005 249 HB2 GLU 32 HB2 GLU 32 -12.202 5.327 2.219 250 HB3 GLU 32 HB3 GLU 32 -13.216 6.717 2.494 251 HG2 GLU 32 HG2 GLU 32 -11.202 6.618 0.211 252 HG3 GLU 32 HG3 GLU 32 -12.797 5.923 0.078 253 H HIS 33 H HIS 33 -10.164 5.027 4.281 254 HA HIS 33 HA HIS 33 -7.949 4.529 2.388 255 HB2 HIS 33 HB2 HIS 33 -6.262 4.642 3.999 256 HB3 HIS 33 HB3 HIS 33 -7.174 6.129 4.174 257 HD1 HIS 33 HD1 HIS 33 -5.507 3.690 6.154 258 HD2 HIS 33 HD2 HIS 33 -9.020 5.991 6.449 259 HE1 HIS 33 HE1 HIS 33 -6.155 3.668 8.605 260 H ILE 34 H ILE 34 -6.670 2.527 3.940 261 HA ILE 34 HA ILE 34 -8.801 0.464 4.090 262 HB ILE 34 HB ILE 34 -5.877 0.212 3.316 263 HG12 ILE 34 HG12 ILE 34 -8.427 -0.515 1.785 264 HG13 ILE 34 HG13 ILE 34 -7.616 1.038 1.598 265 HG21 ILE 34 HG21 ILE 34 -6.608 -1.705 4.771 266 HG22 ILE 34 HG22 ILE 34 -7.981 -1.990 3.697 267 HG23 ILE 34 HG23 ILE 34 -6.321 -2.226 3.126 268 HD11 ILE 34 HD11 ILE 34 -6.338 -1.637 1.022 269 HD12 ILE 34 HD12 ILE 34 -6.976 -0.501 -0.173 270 HD13 ILE 34 HD13 ILE 34 -5.577 -0.041 0.833 271 HA PRO 35 HA PRO 35 -7.777 0.788 8.401 272 HB2 PRO 35 HB2 PRO 35 -8.770 -1.623 9.327 273 HB3 PRO 35 HB3 PRO 35 -9.773 -0.194 8.914 274 HG2 PRO 35 HG2 PRO 35 -9.141 -2.615 7.191 275 HG3 PRO 35 HG3 PRO 35 -10.742 -1.840 7.470 276 HD2 PRO 35 HD2 PRO 35 -9.218 -1.401 5.288 277 HD3 PRO 35 HD3 PRO 35 -10.140 -0.061 5.958 278 H GLU 36 H GLU 36 -6.861 -2.138 6.634 279 HA GLU 36 HA GLU 36 -4.973 -3.090 8.524 280 HB2 GLU 36 HB2 GLU 36 -5.215 -3.679 5.576 281 HB3 GLU 36 HB3 GLU 36 -4.326 -4.634 6.769 282 HG2 GLU 36 HG2 GLU 36 -7.279 -4.124 6.994 283 HG3 GLU 36 HG3 GLU 36 -6.605 -5.487 6.101 284 H ALA 37 H ALA 37 -4.746 -0.347 6.533 285 HA ALA 37 HA ALA 37 -1.846 -0.563 6.012 286 HB1 ALA 37 HB1 ALA 37 -2.273 1.222 4.430 287 HB2 ALA 37 HB2 ALA 37 -3.500 -0.013 4.159 288 HB3 ALA 37 HB3 ALA 37 -3.917 1.461 5.043 289 H ASP 38 H ASP 38 -1.056 1.884 5.879 290 HA ASP 38 HA ASP 38 -1.628 3.072 8.593 291 HB2 ASP 38 HB2 ASP 38 0.512 1.805 8.662 292 HB3 ASP 38 HB3 ASP 38 1.211 3.065 7.617 293 H LEU 39 H LEU 39 0.499 4.180 5.988 294 HA LEU 39 HA LEU 39 -0.424 5.836 4.386 295 HB2 LEU 39 HB2 LEU 39 -1.944 6.977 5.898 296 HB3 LEU 39 HB3 LEU 39 -0.559 7.345 6.953 297 HG LEU 39 HG LEU 39 0.362 8.831 5.120 298 HD11 LEU 39 HD11 LEU 39 -1.251 9.388 3.209 299 HD12 LEU 39 HD12 LEU 39 -2.141 7.930 3.648 300 HD13 LEU 39 HD13 LEU 39 -0.487 7.801 3.092 301 HD21 LEU 39 HD21 LEU 39 -2.480 9.360 5.999 302 HD22 LEU 39 HD22 LEU 39 -1.462 10.576 5.212 303 HD23 LEU 39 HD23 LEU 39 -0.967 9.878 6.771 304 H ALA 40 H ALA 40 1.210 6.570 3.278 305 HA ALA 40 HA ALA 40 3.471 7.986 4.305 306 HB1 ALA 40 HB1 ALA 40 5.178 6.118 3.770 307 HB2 ALA 40 HB2 ALA 40 4.365 6.080 5.333 308 HB3 ALA 40 HB3 ALA 40 3.825 5.005 4.048 309 HA PRO 41 HA PRO 41 2.512 8.178 -0.220 310 HB2 PRO 41 HB2 PRO 41 2.901 10.900 -0.512 311 HB3 PRO 41 HB3 PRO 41 1.355 10.090 -0.121 312 HG2 PRO 41 HG2 PRO 41 3.300 11.391 1.756 313 HG3 PRO 41 HG3 PRO 41 1.517 11.471 1.767 314 HD2 PRO 41 HD2 PRO 41 2.950 9.843 3.423 315 HD3 PRO 41 HD3 PRO 41 1.363 9.320 2.774 316 H LEU 42 H LEU 42 3.942 8.206 -1.948 317 HA LEU 42 HA LEU 42 6.610 7.676 -1.573 318 HB2 LEU 42 HB2 LEU 42 4.985 7.678 -3.718 319 HB3 LEU 42 HB3 LEU 42 5.887 9.095 -4.086 320 HG LEU 42 HG LEU 42 7.376 7.860 -5.082 321 HD11 LEU 42 HD11 LEU 42 8.115 6.382 -2.507 322 HD12 LEU 42 HD12 LEU 42 8.764 7.967 -2.932 323 HD13 LEU 42 HD13 LEU 42 9.102 6.590 -3.962 324 HD21 LEU 42 HD21 LEU 42 6.151 5.511 -3.656 325 HD22 LEU 42 HD22 LEU 42 7.218 5.408 -5.101 326 HD23 LEU 42 HD23 LEU 42 5.629 6.178 -5.230 327 H SER 43 H SER 43 5.034 10.803 -2.192 328 HA SER 43 HA SER 43 7.157 12.482 -2.722 329 HB2 SER 43 HB2 SER 43 4.616 13.141 -1.172 330 HB3 SER 43 HB3 SER 43 5.529 14.210 -2.257 331 HG SER 43 HG SER 43 3.613 13.247 -3.215 332 H VAL 44 H VAL 44 6.170 11.168 0.428 333 HA VAL 44 HA VAL 44 7.917 13.045 1.907 334 HB VAL 44 HB VAL 44 6.037 10.777 2.713 335 HG11 VAL 44 HG11 VAL 44 7.864 10.832 4.376 336 HG12 VAL 44 HG12 VAL 44 7.646 12.584 4.562 337 HG13 VAL 44 HG13 VAL 44 6.362 11.468 5.055 338 HG21 VAL 44 HG21 VAL 44 4.693 12.597 3.669 339 HG22 VAL 44 HG22 VAL 44 5.922 13.789 3.198 340 HG23 VAL 44 HG23 VAL 44 4.990 12.937 1.959 341 H LEU 45 H LEU 45 7.766 9.712 0.779 342 HA LEU 45 HA LEU 45 9.996 8.628 2.201 343 HB2 LEU 45 HB2 LEU 45 8.301 7.863 -0.178 344 HB3 LEU 45 HB3 LEU 45 9.793 7.014 0.057 345 HG LEU 45 HG LEU 45 7.598 6.103 1.085 346 HD11 LEU 45 HD11 LEU 45 10.281 6.263 2.483 347 HD12 LEU 45 HD12 LEU 45 9.672 5.007 1.389 348 HD13 LEU 45 HD13 LEU 45 8.992 5.156 3.011 349 HD21 LEU 45 HD21 LEU 45 8.296 8.015 3.350 350 HD22 LEU 45 HD22 LEU 45 7.225 6.634 3.459 351 HD23 LEU 45 HD23 LEU 45 6.798 7.975 2.384 352 H GLU 46 H GLU 46 9.731 9.909 -1.148 353 HA GLU 46 HA GLU 46 12.362 9.436 -1.936 354 HB2 GLU 46 HB2 GLU 46 10.405 11.637 -2.623 355 HB3 GLU 46 HB3 GLU 46 12.040 11.612 -3.292 356 HG2 GLU 46 HG2 GLU 46 11.524 9.226 -4.098 357 HG3 GLU 46 HG3 GLU 46 9.843 9.574 -3.703 358 H GLN 47 H GLN 47 11.073 11.786 0.254 359 HA GLN 47 HA GLN 47 13.511 13.453 0.403 360 HB2 GLN 47 HB2 GLN 47 10.774 13.685 1.746 361 HB3 GLN 47 HB3 GLN 47 12.141 14.760 2.051 362 HG2 GLN 47 HG2 GLN 47 12.117 15.481 -0.312 363 HG3 GLN 47 HG3 GLN 47 10.733 14.408 -0.613 364 HE21 GLN 47 HE21 GLN 47 8.657 15.040 0.101 365 HE22 GLN 47 HE22 GLN 47 8.347 16.491 1.040 366 H SER 48 H SER 48 11.504 12.662 3.139 367 HA SER 48 HA SER 48 13.648 12.353 4.913 368 HB2 SER 48 HB2 SER 48 11.183 13.113 5.237 369 HB3 SER 48 HB3 SER 48 10.821 11.385 5.452 370 HG SER 48 HG SER 48 11.287 12.369 7.434 371 H GLY 49 H GLY 49 11.581 9.829 3.422 372 HA2 GLY 49 HA2 GLY 49 12.600 7.661 2.953 373 HA3 GLY 49 HA3 GLY 49 13.485 7.782 4.475 374 H LEU 50 H LEU 50 12.405 5.503 4.536 375 HA LEU 50 HA LEU 50 9.593 5.553 5.302 376 HB2 LEU 50 HB2 LEU 50 10.828 3.803 3.871 377 HB3 LEU 50 HB3 LEU 50 11.417 3.117 5.375 378 HG LEU 50 HG LEU 50 8.442 3.656 4.929 379 HD11 LEU 50 HD11 LEU 50 9.218 2.356 2.973 380 HD12 LEU 50 HD12 LEU 50 8.128 1.445 4.037 381 HD13 LEU 50 HD13 LEU 50 9.871 1.120 4.095 382 HD21 LEU 50 HD21 LEU 50 8.230 1.556 6.312 383 HD22 LEU 50 HD22 LEU 50 8.969 2.898 7.175 384 HD23 LEU 50 HD23 LEU 50 9.984 1.592 6.544 385 HA PRO 51 HA PRO 51 10.719 6.078 9.597 386 HB2 PRO 51 HB2 PRO 51 8.361 5.329 10.844 387 HB3 PRO 51 HB3 PRO 51 8.612 6.892 10.029 388 HG2 PRO 51 HG2 PRO 51 7.272 4.423 8.950 389 HG3 PRO 51 HG3 PRO 51 6.734 6.124 8.808 390 HD2 PRO 51 HD2 PRO 51 8.041 4.826 6.782 391 HD3 PRO 51 HD3 PRO 51 8.297 6.564 7.092 392 H ALA 52 H ALA 52 11.479 4.808 11.342 393 HA ALA 52 HA ALA 52 12.107 2.145 10.808 394 HB1 ALA 52 HB1 ALA 52 13.370 3.589 12.339 395 HB2 ALA 52 HB2 ALA 52 12.027 3.528 13.517 396 HB3 ALA 52 HB3 ALA 52 12.937 2.055 13.116 397 H LYS 53 H LYS 53 9.008 3.213 11.808 398 HA LYS 53 HA LYS 53 8.339 0.733 13.247 399 HB2 LYS 53 HB2 LYS 53 6.459 2.937 12.337 400 HB3 LYS 53 HB3 LYS 53 6.108 1.635 13.461 401 HG2 LYS 53 HG2 LYS 53 8.077 3.905 13.903 402 HG3 LYS 53 HG3 LYS 53 6.473 3.779 14.615 403 HD2 LYS 53 HD2 LYS 53 7.126 1.804 15.888 404 HD3 LYS 53 HD3 LYS 53 8.729 1.784 15.132 405 HE2 LYS 53 HE2 LYS 53 7.689 4.134 16.749 406 HE3 LYS 53 HE3 LYS 53 8.587 2.792 17.468 407 HZ1 LYS 53 HZ1 LYS 53 9.649 4.551 15.330 408 HZ2 LYS 53 HZ2 LYS 53 10.443 3.301 16.036 409 HZ3 LYS 53 HZ3 LYS 53 10.045 4.629 16.918 410 H LEU 54 H LEU 54 7.104 2.325 10.244 411 HA LEU 54 HA LEU 54 5.729 0.040 9.334 412 HB2 LEU 54 HB2 LEU 54 6.724 2.508 7.875 413 HB3 LEU 54 HB3 LEU 54 5.732 1.290 7.086 414 HG LEU 54 HG LEU 54 4.882 2.813 9.566 415 HD11 LEU 54 HD11 LEU 54 5.100 4.352 7.682 416 HD12 LEU 54 HD12 LEU 54 3.396 4.054 7.997 417 HD13 LEU 54 HD13 LEU 54 4.186 3.251 6.625 418 HD21 LEU 54 HD21 LEU 54 3.195 1.152 7.632 419 HD22 LEU 54 HD22 LEU 54 2.704 1.909 9.160 420 HD23 LEU 54 HD23 LEU 54 3.768 0.549 9.206 421 H ARG 55 H ARG 55 8.984 0.292 9.321 422 HA ARG 55 HA ARG 55 9.590 -1.163 6.856 423 HB2 ARG 55 HB2 ARG 55 11.896 -1.238 7.645 424 HB3 ARG 55 HB3 ARG 55 11.291 0.407 7.820 425 HG2 ARG 55 HG2 ARG 55 11.256 0.397 10.032 426 HG3 ARG 55 HG3 ARG 55 11.048 -1.336 10.247 427 HD2 ARG 55 HD2 ARG 55 13.291 -0.579 10.943 428 HD3 ARG 55 HD3 ARG 55 13.313 -1.776 9.643 429 HE ARG 55 HE ARG 55 13.502 1.134 9.009 430 HH11 ARG 55 HH11 ARG 55 15.053 -2.104 8.783 431 HH12 ARG 55 HH12 ARG 55 16.415 -1.485 7.910 432 HH21 ARG 55 HH21 ARG 55 15.020 1.767 7.572 433 HH22 ARG 55 HH22 ARG 55 16.251 0.677 7.000 434 H HIS 56 H HIS 56 7.676 -2.412 8.400 435 HA HIS 56 HA HIS 56 8.552 -4.556 10.042 436 HB2 HIS 56 HB2 HIS 56 6.120 -3.726 9.450 437 HB3 HIS 56 HB3 HIS 56 6.208 -4.943 8.186 438 HD1 HIS 56 HD1 HIS 56 6.782 -4.813 12.085 439 HD2 HIS 56 HD2 HIS 56 5.402 -7.304 8.967 440 HE1 HIS 56 HE1 HIS 56 5.869 -6.897 13.177 441 H GLU 57 H GLU 57 8.722 -6.879 9.461 442 HA GLU 57 HA GLU 57 10.727 -7.443 7.673 443 HB2 GLU 57 HB2 GLU 57 8.529 -9.384 8.466 444 HB3 GLU 57 HB3 GLU 57 10.111 -9.787 7.807 445 HG2 GLU 57 HG2 GLU 57 10.502 -10.118 10.043 446 HG3 GLU 57 HG3 GLU 57 11.084 -8.466 9.848 447 H GLN 58 H GLN 58 7.243 -7.437 6.810 448 HA GLN 58 HA GLN 58 8.010 -7.459 3.957 449 HB2 GLN 58 HB2 GLN 58 7.709 -9.805 4.564 450 HB3 GLN 58 HB3 GLN 58 6.170 -9.450 5.381 451 HG2 GLN 58 HG2 GLN 58 5.064 -9.079 3.326 452 HG3 GLN 58 HG3 GLN 58 6.583 -8.876 2.466 453 HE21 GLN 58 HE21 GLN 58 4.256 -11.322 3.655 454 HE22 GLN 58 HE22 GLN 58 5.068 -12.632 2.833 455 H ILE 59 H ILE 59 6.849 -6.052 2.805 456 HA ILE 59 HA ILE 59 4.226 -5.219 3.852 457 HB ILE 59 HB ILE 59 4.694 -2.989 3.958 458 HG12 ILE 59 HG12 ILE 59 7.218 -3.457 2.386 459 HG13 ILE 59 HG13 ILE 59 5.802 -2.818 1.741 460 HG21 ILE 59 HG21 ILE 59 5.994 -4.213 5.809 461 HG22 ILE 59 HG22 ILE 59 7.437 -3.952 4.865 462 HG23 ILE 59 HG23 ILE 59 6.515 -2.571 5.462 463 HD11 ILE 59 HD11 ILE 59 5.936 -0.830 3.303 464 HD12 ILE 59 HD12 ILE 59 7.569 -1.402 3.751 465 HD13 ILE 59 HD13 ILE 59 7.210 -0.943 2.072 466 H ILE 60 H ILE 60 3.068 -3.862 2.178 467 HA ILE 60 HA ILE 60 3.776 -4.513 -0.635 468 HB ILE 60 HB ILE 60 1.019 -4.861 0.610 469 HG12 ILE 60 HG12 ILE 60 1.822 -7.331 -0.509 470 HG13 ILE 60 HG13 ILE 60 3.275 -6.732 0.240 471 HG21 ILE 60 HG21 ILE 60 1.963 -5.420 -2.235 472 HG22 ILE 60 HG22 ILE 60 0.364 -5.810 -1.572 473 HG23 ILE 60 HG23 ILE 60 0.856 -4.125 -1.732 474 HD11 ILE 60 HD11 ILE 60 1.995 -6.411 2.390 475 HD12 ILE 60 HD12 ILE 60 0.600 -7.180 1.596 476 HD13 ILE 60 HD13 ILE 60 2.118 -8.080 1.838 477 H PHE 61 H PHE 61 3.668 -2.735 -1.951 478 HA PHE 61 HA PHE 61 2.649 -0.204 -0.872 479 HB2 PHE 61 HB2 PHE 61 4.214 -0.907 -3.400 480 HB3 PHE 61 HB3 PHE 61 3.609 0.695 -3.048 481 HD1 PHE 61 HD1 PHE 61 4.157 1.397 -0.427 482 HD2 PHE 61 HD2 PHE 61 6.597 -1.064 -2.984 483 HE1 PHE 61 HE1 PHE 61 6.126 1.989 0.904 484 HE2 PHE 61 HE2 PHE 61 8.614 -0.385 -1.669 485 HZ PHE 61 HZ PHE 61 8.358 1.131 0.294 486 H HIS 62 H HIS 62 0.938 0.912 -1.780 487 HA HIS 62 HA HIS 62 -0.514 -0.343 -4.034 488 HB2 HIS 62 HB2 HIS 62 -1.291 -0.924 -1.616 489 HB3 HIS 62 HB3 HIS 62 -1.886 0.729 -1.553 490 HD1 HIS 62 HD1 HIS 62 -2.669 -0.050 -4.942 491 HD2 HIS 62 HD2 HIS 62 -4.036 -1.409 -1.189 492 HE1 HIS 62 HE1 HIS 62 -4.846 -1.303 -5.356 493 H CYS 63 H CYS 63 -0.780 1.142 -5.628 494 HA CYS 63 HA CYS 63 -0.633 4.036 -4.995 495 HB2 CYS 63 HB2 CYS 63 -0.166 2.350 -7.495 496 HB3 CYS 63 HB3 CYS 63 -0.765 3.995 -7.699 497 HG CYS 63 HG CYS 63 1.882 3.899 -7.951 498 H GLN 64 H GLN 64 -2.223 5.383 -6.328 499 HA GLN 64 HA GLN 64 -4.849 4.781 -5.423 500 HB2 GLN 64 HB2 GLN 64 -3.860 7.084 -5.790 501 HB3 GLN 64 HB3 GLN 64 -4.015 6.834 -7.517 502 HG2 GLN 64 HG2 GLN 64 -6.569 6.296 -6.886 503 HG3 GLN 64 HG3 GLN 64 -6.157 7.194 -5.425 504 HE21 GLN 64 HE21 GLN 64 -5.133 9.415 -5.815 505 HE22 GLN 64 HE22 GLN 64 -5.673 10.349 -7.172 506 H ALA 65 H ALA 65 -4.207 5.491 -8.845 507 HA ALA 65 HA ALA 65 -5.493 3.028 -9.783 508 HB1 ALA 65 HB1 ALA 65 -7.435 4.488 -9.375 509 HB2 ALA 65 HB2 ALA 65 -6.661 5.821 -10.265 510 HB3 ALA 65 HB3 ALA 65 -7.152 4.345 -11.121 511 H GLY 66 H GLY 66 -2.960 3.280 -10.055 512 HA2 GLY 66 HA2 GLY 66 -2.418 3.916 -12.820 513 HA3 GLY 66 HA3 GLY 66 -1.620 5.031 -11.686 514 H LYS 67 H LYS 67 -1.197 2.226 -13.324 515 HA LYS 67 HA LYS 67 -0.043 0.379 -11.595 516 HB2 LYS 67 HB2 LYS 67 0.517 0.973 -14.532 517 HB3 LYS 67 HB3 LYS 67 1.099 -0.456 -13.679 518 HG2 LYS 67 HG2 LYS 67 -1.214 -1.115 -13.123 519 HG3 LYS 67 HG3 LYS 67 -1.817 0.299 -13.999 520 HD2 LYS 67 HD2 LYS 67 -2.055 -1.691 -15.364 521 HD3 LYS 67 HD3 LYS 67 -0.940 -0.565 -16.108 522 HE2 LYS 67 HE2 LYS 67 0.973 -1.912 -15.260 523 HE3 LYS 67 HE3 LYS 67 -0.181 -2.972 -14.433 524 HZ1 LYS 67 HZ1 LYS 67 0.557 -3.912 -16.476 525 HZ2 LYS 67 HZ2 LYS 67 0.003 -2.626 -17.351 526 HZ3 LYS 67 HZ3 LYS 67 -1.062 -3.613 -16.567 527 H ARG 68 H ARG 68 1.288 3.431 -11.894 528 HA ARG 68 HA ARG 68 4.109 2.845 -12.087 529 HB2 ARG 68 HB2 ARG 68 2.585 5.266 -11.019 530 HB3 ARG 68 HB3 ARG 68 4.337 5.117 -10.979 531 HG2 ARG 68 HG2 ARG 68 4.077 6.312 -12.907 532 HG3 ARG 68 HG3 ARG 68 4.255 4.669 -13.495 533 HD2 ARG 68 HD2 ARG 68 2.509 5.618 -14.777 534 HD3 ARG 68 HD3 ARG 68 1.678 4.585 -13.630 535 HE ARG 68 HE ARG 68 1.071 6.555 -12.316 536 HH11 ARG 68 HH11 ARG 68 2.342 7.368 -15.582 537 HH12 ARG 68 HH12 ARG 68 1.487 8.903 -15.554 538 HH21 ARG 68 HH21 ARG 68 0.028 8.605 -12.442 539 HH22 ARG 68 HH22 ARG 68 0.217 9.547 -13.889 540 H THR 69 H THR 69 4.347 1.058 -10.783 541 HA THR 69 HA THR 69 4.785 1.683 -7.925 542 HB THR 69 HB THR 69 3.924 -0.733 -7.536 543 HG1 THR 69 HG1 THR 69 2.701 -0.102 -10.000 544 HG21 THR 69 HG21 THR 69 1.698 0.018 -6.999 545 HG22 THR 69 HG22 THR 69 1.932 1.478 -7.987 546 HG23 THR 69 HG23 THR 69 2.916 1.205 -6.517 547 H SER 70 H SER 70 5.152 -1.385 -9.880 548 HA SER 70 HA SER 70 7.589 -1.975 -8.658 549 HB2 SER 70 HB2 SER 70 5.978 -3.491 -9.898 550 HB3 SER 70 HB3 SER 70 6.819 -3.012 -11.385 551 HG SER 70 HG SER 70 8.719 -3.935 -10.494 552 H ASN 71 H ASN 71 7.120 0.103 -11.565 553 HA ASN 71 HA ASN 71 9.847 -0.217 -12.367 554 HB2 ASN 71 HB2 ASN 71 8.109 0.639 -13.887 555 HB3 ASN 71 HB3 ASN 71 8.045 2.151 -12.958 556 HD21 ASN 71 HD21 ASN 71 9.197 3.722 -14.072 557 HD22 ASN 71 HD22 ASN 71 10.757 3.430 -14.853 558 H ASN 72 H ASN 72 8.421 1.926 -9.921 559 HA ASN 72 HA ASN 72 10.833 3.541 -9.740 560 HB2 ASN 72 HB2 ASN 72 8.220 3.467 -8.277 561 HB3 ASN 72 HB3 ASN 72 9.596 4.172 -7.437 562 HD21 ASN 72 HD21 ASN 72 9.796 6.414 -7.726 563 HD22 ASN 72 HD22 ASN 72 9.538 7.160 -9.295 564 H ALA 73 H ALA 73 10.785 0.429 -9.213 565 HA ALA 73 HA ALA 73 11.535 -0.277 -6.670 566 HB1 ALA 73 HB1 ALA 73 11.299 -1.910 -8.526 567 HB2 ALA 73 HB2 ALA 73 12.702 -1.198 -9.328 568 HB3 ALA 73 HB3 ALA 73 12.896 -2.067 -7.795 569 H ASP 74 H ASP 74 13.469 1.607 -8.961 570 HA ASP 74 HA ASP 74 16.082 1.206 -8.247 571 HB2 ASP 74 HB2 ASP 74 14.305 3.440 -9.244 572 HB3 ASP 74 HB3 ASP 74 15.855 3.895 -8.621 573 H LYS 75 H LYS 75 13.657 3.296 -6.779 574 HA LYS 75 HA LYS 75 15.455 3.854 -4.463 575 HB2 LYS 75 HB2 LYS 75 12.782 5.232 -4.942 576 HB3 LYS 75 HB3 LYS 75 14.137 5.705 -3.926 577 HG2 LYS 75 HG2 LYS 75 14.431 7.164 -5.642 578 HG3 LYS 75 HG3 LYS 75 15.468 5.856 -6.194 579 HD2 LYS 75 HD2 LYS 75 14.317 5.709 -8.086 580 HD3 LYS 75 HD3 LYS 75 12.838 5.271 -7.203 581 HE2 LYS 75 HE2 LYS 75 12.039 7.504 -7.230 582 HE3 LYS 75 HE3 LYS 75 13.664 8.179 -7.249 583 HZ1 LYS 75 HZ1 LYS 75 13.920 7.714 -9.513 584 HZ2 LYS 75 HZ2 LYS 75 12.565 8.555 -9.280 585 HZ3 LYS 75 HZ3 LYS 75 12.438 6.959 -9.635 586 H LEU 76 H LEU 76 12.059 3.053 -5.217 587 HA LEU 76 HA LEU 76 11.177 2.441 -2.671 588 HB2 LEU 76 HB2 LEU 76 10.495 1.046 -5.277 589 HB3 LEU 76 HB3 LEU 76 9.629 0.714 -3.776 590 HG LEU 76 HG LEU 76 9.762 3.384 -5.220 591 HD11 LEU 76 HD11 LEU 76 7.450 1.424 -4.798 592 HD12 LEU 76 HD12 LEU 76 8.373 1.619 -6.307 593 HD13 LEU 76 HD13 LEU 76 7.375 2.953 -5.686 594 HD21 LEU 76 HD21 LEU 76 8.395 2.510 -2.626 595 HD22 LEU 76 HD22 LEU 76 7.935 3.969 -3.497 596 HD23 LEU 76 HD23 LEU 76 9.554 3.838 -2.824 597 H ALA 77 H ALA 77 12.713 -0.117 -4.747 598 HA ALA 77 HA ALA 77 12.435 -2.124 -2.705 599 HB1 ALA 77 HB1 ALA 77 12.760 -2.555 -5.184 600 HB2 ALA 77 HB2 ALA 77 14.454 -2.070 -4.974 601 HB3 ALA 77 HB3 ALA 77 13.825 -3.481 -4.112 602 H ALA 78 H ALA 78 14.721 0.493 -3.111 603 HA ALA 78 HA ALA 78 16.783 -0.751 -1.417 604 HB1 ALA 78 HB1 ALA 78 16.668 1.979 -2.781 605 HB2 ALA 78 HB2 ALA 78 18.069 1.232 -2.000 606 HB3 ALA 78 HB3 ALA 78 17.398 0.514 -3.472 607 H ILE 79 H ILE 79 14.298 1.810 -1.284 608 HA ILE 79 HA ILE 79 15.116 2.994 1.200 609 HB ILE 79 HB ILE 79 12.437 2.980 -0.297 610 HG12 ILE 79 HG12 ILE 79 14.282 5.342 0.105 611 HG13 ILE 79 HG13 ILE 79 14.465 4.301 -1.285 612 HG21 ILE 79 HG21 ILE 79 11.918 4.952 1.280 613 HG22 ILE 79 HG22 ILE 79 11.894 3.352 2.009 614 HG23 ILE 79 HG23 ILE 79 13.293 4.431 2.250 615 HD11 ILE 79 HD11 ILE 79 12.104 4.823 -1.972 616 HD12 ILE 79 HD12 ILE 79 11.965 5.966 -0.620 617 HD13 ILE 79 HD13 ILE 79 13.140 6.260 -1.888 618 H ALA 80 H ALA 80 12.491 0.680 0.321 619 HA ALA 80 HA ALA 80 11.774 0.191 3.049 620 HB1 ALA 80 HB1 ALA 80 10.191 -0.045 1.194 621 HB2 ALA 80 HB2 ALA 80 11.184 -1.339 0.498 622 HB3 ALA 80 HB3 ALA 80 10.364 -1.580 2.065 623 H ALA 81 H ALA 81 14.100 -1.440 0.886 624 HA ALA 81 HA ALA 81 14.325 -3.899 2.059 625 HB1 ALA 81 HB1 ALA 81 16.282 -2.112 0.674 626 HB2 ALA 81 HB2 ALA 81 16.848 -3.608 1.416 627 HB3 ALA 81 HB3 ALA 81 15.570 -3.695 0.204 628 HA PRO 82 HA PRO 82 16.523 -5.356 2.457 629 HB2 PRO 82 HB2 PRO 82 17.208 -7.090 4.383 630 HB3 PRO 82 HB3 PRO 82 18.277 -5.740 3.907 631 HG2 PRO 82 HG2 PRO 82 16.282 -5.782 6.204 632 HG3 PRO 82 HG3 PRO 82 18.040 -5.442 6.258 633 HD2 PRO 82 HD2 PRO 82 16.233 -3.424 6.062 634 HD3 PRO 82 HD3 PRO 82 17.779 -3.358 5.167 635 H ALA 83 H ALA 83 13.950 -4.435 4.011 636 HA ALA 83 HA ALA 83 12.608 -6.959 4.659 637 HB1 ALA 83 HB1 ALA 83 10.608 -5.478 4.887 638 HB2 ALA 83 HB2 ALA 83 12.005 -4.862 5.807 639 HB3 ALA 83 HB3 ALA 83 11.591 -4.122 4.275 640 H GLU 84 H GLU 84 10.550 -7.508 3.540 641 HA GLU 84 HA GLU 84 11.021 -7.665 0.662 642 HB2 GLU 84 HB2 GLU 84 9.895 -9.384 2.599 643 HB3 GLU 84 HB3 GLU 84 8.534 -8.760 1.708 644 HG2 GLU 84 HG2 GLU 84 9.396 -10.871 0.749 645 HG3 GLU 84 HG3 GLU 84 9.349 -9.508 -0.379 646 H ILE 85 H ILE 85 9.762 -6.683 -0.970 647 HA ILE 85 HA ILE 85 7.491 -5.068 -0.115 648 HB ILE 85 HB ILE 85 8.268 -3.450 -1.948 649 HG12 ILE 85 HG12 ILE 85 10.347 -4.697 -2.533 650 HG13 ILE 85 HG13 ILE 85 10.500 -2.967 -2.231 651 HG21 ILE 85 HG21 ILE 85 7.691 -2.790 0.208 652 HG22 ILE 85 HG22 ILE 85 9.239 -3.355 0.871 653 HG23 ILE 85 HG23 ILE 85 9.184 -1.987 -0.259 654 HD11 ILE 85 HD11 ILE 85 11.358 -3.594 0.109 655 HD12 ILE 85 HD12 ILE 85 11.435 -5.251 -0.495 656 HD13 ILE 85 HD13 ILE 85 12.411 -4.003 -1.263 657 H PHE 86 H PHE 86 5.766 -5.326 -1.324 658 HA PHE 86 HA PHE 86 6.076 -6.419 -4.054 659 HB2 PHE 86 HB2 PHE 86 3.862 -7.117 -2.087 660 HB3 PHE 86 HB3 PHE 86 4.052 -7.745 -3.715 661 HD1 PHE 86 HD1 PHE 86 5.183 -7.984 -0.236 662 HD2 PHE 86 HD2 PHE 86 5.835 -9.358 -4.263 663 HE1 PHE 86 HE1 PHE 86 6.620 -9.835 0.598 664 HE2 PHE 86 HE2 PHE 86 7.231 -11.222 -3.418 665 HZ PHE 86 HZ PHE 86 7.603 -11.450 -0.927 666 H LEU 87 H LEU 87 3.938 -6.036 -5.356 667 HA LEU 87 HA LEU 87 2.707 -3.426 -4.635 668 HB2 LEU 87 HB2 LEU 87 3.180 -4.505 -7.439 669 HB3 LEU 87 HB3 LEU 87 2.645 -2.907 -6.980 670 HG LEU 87 HG LEU 87 4.735 -2.718 -7.789 671 HD11 LEU 87 HD11 LEU 87 5.346 -2.636 -4.825 672 HD12 LEU 87 HD12 LEU 87 4.214 -1.514 -5.575 673 HD13 LEU 87 HD13 LEU 87 5.904 -1.531 -6.096 674 HD21 LEU 87 HD21 LEU 87 5.424 -5.097 -7.579 675 HD22 LEU 87 HD22 LEU 87 6.092 -4.681 -5.987 676 HD23 LEU 87 HD23 LEU 87 6.633 -3.848 -7.462 677 H LEU 88 H LEU 88 0.696 -3.117 -5.870 678 HA LEU 88 HA LEU 88 -0.856 -5.605 -6.290 679 HB2 LEU 88 HB2 LEU 88 -1.394 -3.764 -4.314 680 HB3 LEU 88 HB3 LEU 88 -2.289 -3.034 -5.628 681 HG LEU 88 HG LEU 88 -3.094 -5.614 -6.002 682 HD11 LEU 88 HD11 LEU 88 -1.661 -6.563 -4.247 683 HD12 LEU 88 HD12 LEU 88 -3.353 -6.681 -3.715 684 HD13 LEU 88 HD13 LEU 88 -2.324 -5.430 -3.049 685 HD21 LEU 88 HD21 LEU 88 -4.644 -3.754 -5.499 686 HD22 LEU 88 HD22 LEU 88 -4.283 -3.969 -3.764 687 HD23 LEU 88 HD23 LEU 88 -5.069 -5.267 -4.666 688 H GLU 89 H GLU 89 -1.700 -5.770 -8.346 689 HA GLU 89 HA GLU 89 -0.810 -3.977 -10.428 690 HB2 GLU 89 HB2 GLU 89 -1.087 -6.303 -10.922 691 HB3 GLU 89 HB3 GLU 89 -2.719 -6.324 -10.256 692 HG2 GLU 89 HG2 GLU 89 -2.705 -6.452 -12.716 693 HG3 GLU 89 HG3 GLU 89 -3.613 -5.081 -12.103 694 H ASP 90 H ASP 90 -4.081 -4.823 -9.285 695 HA ASP 90 HA ASP 90 -5.370 -2.663 -10.617 696 HB2 ASP 90 HB2 ASP 90 -6.277 -4.400 -8.297 697 HB3 ASP 90 HB3 ASP 90 -7.332 -3.330 -9.227 698 H GLY 91 H GLY 91 -6.514 -0.907 -9.626 699 HA2 GLY 91 HA2 GLY 91 -4.836 0.594 -7.775 700 HA3 GLY 91 HA3 GLY 91 -6.377 1.112 -8.501 701 H ILE 92 H ILE 92 -6.122 1.805 -5.977 702 HA ILE 92 HA ILE 92 -6.799 -0.022 -3.920 703 HB ILE 92 HB ILE 92 -5.872 2.310 -3.842 704 HG12 ILE 92 HG12 ILE 92 -6.413 1.182 -1.795 705 HG13 ILE 92 HG13 ILE 92 -6.611 2.917 -1.714 706 HG21 ILE 92 HG21 ILE 92 -7.455 3.438 -5.304 707 HG22 ILE 92 HG22 ILE 92 -8.760 3.148 -4.146 708 HG23 ILE 92 HG23 ILE 92 -7.401 4.205 -3.719 709 HD11 ILE 92 HD11 ILE 92 -9.138 2.549 -1.946 710 HD12 ILE 92 HD12 ILE 92 -8.792 0.820 -1.669 711 HD13 ILE 92 HD13 ILE 92 -8.366 2.011 -0.447 712 H ASP 93 H ASP 93 -8.682 1.368 -6.436 713 HA ASP 93 HA ASP 93 -11.358 1.100 -5.625 714 HB2 ASP 93 HB2 ASP 93 -10.545 2.255 -7.620 715 HB3 ASP 93 HB3 ASP 93 -9.866 0.762 -8.260 716 H GLY 94 H GLY 94 -9.073 -1.288 -7.080 717 HA2 GLY 94 HA2 GLY 94 -10.884 -3.448 -7.325 718 HA3 GLY 94 HA3 GLY 94 -9.119 -3.534 -7.312 719 H TRP 95 H TRP 95 -9.003 -2.263 -4.545 720 HA TRP 95 HA TRP 95 -8.919 -4.627 -2.947 721 HB2 TRP 95 HB2 TRP 95 -7.644 -2.563 -2.466 722 HB3 TRP 95 HB3 TRP 95 -9.134 -1.725 -2.065 723 HD1 TRP 95 HD1 TRP 95 -10.385 -2.326 0.183 724 HE1 TRP 95 HE1 TRP 95 -9.601 -3.298 2.363 725 HE3 TRP 95 HE3 TRP 95 -5.925 -4.179 -1.427 726 HZ2 TRP 95 HZ2 TRP 95 -7.371 -5.017 3.272 727 HZ3 TRP 95 HZ3 TRP 95 -4.427 -5.431 0.147 728 HH2 TRP 95 HH2 TRP 95 -5.173 -5.874 2.484 729 H LYS 96 H LYS 96 -11.202 -1.915 -3.037 730 HA LYS 96 HA LYS 96 -13.168 -2.925 -1.236 731 HB2 LYS 96 HB2 LYS 96 -13.441 -1.116 -3.665 732 HB3 LYS 96 HB3 LYS 96 -14.655 -1.258 -2.394 733 HG2 LYS 96 HG2 LYS 96 -13.308 -0.097 -0.829 734 HG3 LYS 96 HG3 LYS 96 -11.816 -0.368 -1.742 735 HD2 LYS 96 HD2 LYS 96 -12.420 1.907 -2.126 736 HD3 LYS 96 HD3 LYS 96 -12.668 1.019 -3.606 737 HE2 LYS 96 HE2 LYS 96 -14.516 2.523 -3.292 738 HE3 LYS 96 HE3 LYS 96 -15.102 0.866 -3.182 739 HZ1 LYS 96 HZ1 LYS 96 -15.969 2.469 -1.476 740 HZ2 LYS 96 HZ2 LYS 96 -14.467 2.522 -0.819 741 HZ3 LYS 96 HZ3 LYS 96 -15.308 1.099 -0.845 742 H LYS 97 H LYS 97 -12.903 -3.122 -4.804 743 HA LYS 97 HA LYS 97 -15.299 -4.445 -5.319 744 HB2 LYS 97 HB2 LYS 97 -13.713 -3.380 -6.988 745 HB3 LYS 97 HB3 LYS 97 -12.653 -4.779 -6.805 746 HG2 LYS 97 HG2 LYS 97 -13.931 -5.038 -8.802 747 HG3 LYS 97 HG3 LYS 97 -14.465 -6.267 -7.653 748 HD2 LYS 97 HD2 LYS 97 -16.436 -4.857 -7.065 749 HD3 LYS 97 HD3 LYS 97 -15.886 -3.607 -8.182 750 HE2 LYS 97 HE2 LYS 97 -16.699 -6.461 -8.909 751 HE3 LYS 97 HE3 LYS 97 -17.696 -5.007 -9.095 752 HZ1 LYS 97 HZ1 LYS 97 -15.907 -4.141 -10.552 753 HZ2 LYS 97 HZ2 LYS 97 -16.694 -5.425 -11.169 754 HZ3 LYS 97 HZ3 LYS 97 -15.197 -5.645 -10.515 755 H ALA 98 H ALA 98 -12.137 -5.815 -4.361 756 HA ALA 98 HA ALA 98 -12.773 -8.552 -4.751 757 HB1 ALA 98 HB1 ALA 98 -10.505 -7.591 -4.409 758 HB2 ALA 98 HB2 ALA 98 -10.916 -7.246 -2.728 759 HB3 ALA 98 HB3 ALA 98 -10.846 -8.923 -3.286 760 H GLY 99 H GLY 99 -13.976 -6.318 -2.410 761 HA2 GLY 99 HA2 GLY 99 -15.818 -6.811 -0.994 762 HA3 GLY 99 HA3 GLY 99 -15.311 -8.500 -0.901 763 H LEU 100 H LEU 100 -12.632 -6.372 -0.619 764 HA LEU 100 HA LEU 100 -12.278 -7.107 2.165 765 HB2 LEU 100 HB2 LEU 100 -10.649 -5.328 0.311 766 HB3 LEU 100 HB3 LEU 100 -10.104 -5.948 1.861 767 HG LEU 100 HG LEU 100 -10.782 -7.657 -0.574 768 HD11 LEU 100 HD11 LEU 100 -8.361 -8.137 -0.606 769 HD12 LEU 100 HD12 LEU 100 -8.118 -6.954 0.694 770 HD13 LEU 100 HD13 LEU 100 -8.716 -6.419 -0.885 771 HD21 LEU 100 HD21 LEU 100 -11.307 -8.994 1.310 772 HD22 LEU 100 HD22 LEU 100 -9.931 -8.372 2.240 773 HD23 LEU 100 HD23 LEU 100 -9.664 -9.450 0.842 774 HA PRO 101 HA PRO 101 -13.986 -3.439 3.837 775 HB2 PRO 101 HB2 PRO 101 -12.704 -3.085 6.209 776 HB3 PRO 101 HB3 PRO 101 -13.683 -4.545 5.878 777 HG2 PRO 101 HG2 PRO 101 -10.671 -4.228 5.591 778 HG3 PRO 101 HG3 PRO 101 -11.565 -5.511 6.461 779 HD2 PRO 101 HD2 PRO 101 -10.680 -5.831 3.901 780 HD3 PRO 101 HD3 PRO 101 -12.216 -6.555 4.458 781 H VAL 102 H VAL 102 -13.715 -1.219 4.393 782 HA VAL 102 HA VAL 102 -11.128 0.075 3.967 783 HB VAL 102 HB VAL 102 -12.466 1.883 2.685 784 HG11 VAL 102 HG11 VAL 102 -10.549 0.620 1.794 785 HG12 VAL 102 HG12 VAL 102 -11.656 -0.655 1.224 786 HG13 VAL 102 HG13 VAL 102 -11.751 0.998 0.556 787 HG21 VAL 102 HG21 VAL 102 -14.120 -0.490 1.801 788 HG22 VAL 102 HG22 VAL 102 -14.654 0.785 2.924 789 HG23 VAL 102 HG23 VAL 102 -14.228 1.208 1.258 790 H ALA 103 H ALA 103 -11.056 2.024 4.882 791 HA ALA 103 HA ALA 103 -12.767 2.437 7.240 792 HB1 ALA 103 HB1 ALA 103 -10.936 4.012 7.851 793 HB2 ALA 103 HB2 ALA 103 -10.343 2.370 7.535 794 HB3 ALA 103 HB3 ALA 103 -10.138 3.636 6.305 795 H VAL 104 H VAL 104 -14.438 2.921 5.372 796 HA VAL 104 HA VAL 104 -14.301 5.772 4.466 797 HB VAL 104 HB VAL 104 -16.417 5.223 3.260 798 HG11 VAL 104 HG11 VAL 104 -13.976 3.567 2.566 799 HG12 VAL 104 HG12 VAL 104 -15.440 3.583 1.556 800 HG13 VAL 104 HG13 VAL 104 -14.570 5.073 1.831 801 HG21 VAL 104 HG21 VAL 104 -15.870 2.351 4.057 802 HG22 VAL 104 HG22 VAL 104 -17.156 3.417 4.713 803 HG23 VAL 104 HG23 VAL 104 -17.183 2.967 3.003 804 H ASN 105 H ASN 105 -16.337 6.964 4.887 805 HA ASN 105 HA ASN 105 -17.251 6.506 7.693 806 HB2 ASN 105 HB2 ASN 105 -17.133 8.996 5.970 807 HB3 ASN 105 HB3 ASN 105 -18.058 8.939 7.453 808 HD21 ASN 105 HD21 ASN 105 -16.933 8.601 9.565 809 HD22 ASN 105 HD22 ASN 105 -15.232 8.938 9.622 810 H LYS 106 H LYS 106 -19.681 7.694 7.789 811 HA LYS 106 HA LYS 106 -21.316 6.102 5.838 812 HB2 LYS 106 HB2 LYS 106 -21.173 5.272 8.218 813 HB3 LYS 106 HB3 LYS 106 -22.069 6.713 8.700 814 HG2 LYS 106 HG2 LYS 106 -23.952 6.056 7.266 815 HG3 LYS 106 HG3 LYS 106 -23.038 4.653 6.675 816 HD2 LYS 106 HD2 LYS 106 -22.967 3.730 8.959 817 HD3 LYS 106 HD3 LYS 106 -23.836 5.162 9.571 818 HE2 LYS 106 HE2 LYS 106 -25.756 4.598 8.110 819 HE3 LYS 106 HE3 LYS 106 -24.877 3.192 7.491 820 HZ1 LYS 106 HZ1 LYS 106 -26.379 2.514 9.216 821 HZ2 LYS 106 HZ2 LYS 106 -25.807 3.648 10.243 822 HZ3 LYS 106 HZ3 LYS 106 -24.854 2.371 9.828 823 H SER 107 H SER 107 -20.913 9.251 7.441 824 HA SER 107 HA SER 107 -23.462 10.270 6.476 825 HB2 SER 107 HB2 SER 107 -22.282 10.925 8.620 826 HB3 SER 107 HB3 SER 107 -21.041 11.701 7.634 827 HG SER 107 HG SER 107 -22.265 13.320 7.742 828 H GLN 108 H GLN 108 -22.242 12.839 5.511 829 HA GLN 108 HA GLN 108 -20.894 12.018 3.027 830 HB2 GLN 108 HB2 GLN 108 -23.289 12.062 2.531 831 HB3 GLN 108 HB3 GLN 108 -23.461 13.622 3.330 832 HG2 GLN 108 HG2 GLN 108 -23.595 13.938 0.980 833 HG3 GLN 108 HG3 GLN 108 -22.141 14.702 1.560 834 HE21 GLN 108 HE21 GLN 108 -20.069 13.355 1.308 835 HE22 GLN 108 HE22 GLN 108 -19.926 12.402 -0.193 Start of MODEL 10 1 H ALA 1 H ALA 1 13.405 -7.266 -7.560 2 HA ALA 1 HA ALA 1 12.398 -8.059 -5.649 3 HB1 ALA 1 HB1 ALA 1 14.090 -6.324 -5.126 4 HB2 ALA 1 HB2 ALA 1 12.822 -5.086 -5.229 5 HB3 ALA 1 HB3 ALA 1 12.781 -6.287 -3.928 6 H LEU 2 H LEU 2 10.791 -5.734 -6.781 7 HA LEU 2 HA LEU 2 8.374 -5.693 -5.104 8 HB2 LEU 2 HB2 LEU 2 8.523 -4.389 -7.837 9 HB3 LEU 2 HB3 LEU 2 7.436 -4.051 -6.499 10 HG LEU 2 HG LEU 2 9.727 -3.534 -5.203 11 HD11 LEU 2 HD11 LEU 2 11.188 -2.275 -6.944 12 HD12 LEU 2 HD12 LEU 2 10.430 -3.313 -8.149 13 HD13 LEU 2 HD13 LEU 2 11.394 -3.996 -6.827 14 HD21 LEU 2 HD21 LEU 2 7.894 -1.927 -5.554 15 HD22 LEU 2 HD22 LEU 2 8.527 -1.601 -7.204 16 HD23 LEU 2 HD23 LEU 2 9.482 -1.179 -5.757 17 H THR 3 H THR 3 8.207 -8.105 -5.357 18 HA THR 3 HA THR 3 7.210 -9.281 -7.763 19 HB THR 3 HB THR 3 7.057 -10.113 -4.840 20 HG1 THR 3 HG1 THR 3 9.038 -10.871 -5.118 21 HG21 THR 3 HG21 THR 3 6.916 -11.816 -7.375 22 HG22 THR 3 HG22 THR 3 5.623 -11.617 -6.163 23 HG23 THR 3 HG23 THR 3 7.117 -12.448 -5.725 24 H THR 4 H THR 4 4.801 -10.268 -7.876 25 HA THR 4 HA THR 4 2.900 -8.273 -6.717 26 HB THR 4 HB THR 4 2.891 -9.485 -9.499 27 HG1 THR 4 HG1 THR 4 4.381 -7.635 -8.596 28 HG21 THR 4 HG21 THR 4 1.156 -7.278 -8.292 29 HG22 THR 4 HG22 THR 4 0.605 -8.913 -8.726 30 HG23 THR 4 HG23 THR 4 1.151 -7.803 -9.990 31 H ILE 5 H ILE 5 0.876 -9.097 -6.082 32 HA ILE 5 HA ILE 5 0.521 -11.998 -6.137 33 HB ILE 5 HB ILE 5 0.091 -12.258 -3.876 34 HG12 ILE 5 HG12 ILE 5 -1.088 -10.356 -3.133 35 HG13 ILE 5 HG13 ILE 5 0.310 -10.553 -2.109 36 HG21 ILE 5 HG21 ILE 5 2.202 -11.865 -2.778 37 HG22 ILE 5 HG22 ILE 5 2.491 -12.286 -4.466 38 HG23 ILE 5 HG23 ILE 5 2.632 -10.593 -3.936 39 HD11 ILE 5 HD11 ILE 5 0.126 -8.226 -2.500 40 HD12 ILE 5 HD12 ILE 5 1.433 -8.737 -3.578 41 HD13 ILE 5 HD13 ILE 5 -0.202 -8.463 -4.224 42 H SER 6 H SER 6 -1.829 -12.571 -5.591 43 HA SER 6 HA SER 6 -3.509 -10.929 -7.195 44 HB2 SER 6 HB2 SER 6 -5.267 -12.502 -6.569 45 HB3 SER 6 HB3 SER 6 -3.775 -13.386 -6.894 46 HG SER 6 HG SER 6 -5.000 -13.914 -4.897 47 HA PRO 7 HA PRO 7 -4.845 -7.956 -4.411 48 HB2 PRO 7 HB2 PRO 7 -7.584 -7.740 -4.505 49 HB3 PRO 7 HB3 PRO 7 -6.441 -7.091 -5.707 50 HG2 PRO 7 HG2 PRO 7 -7.925 -9.733 -5.799 51 HG3 PRO 7 HG3 PRO 7 -7.700 -8.533 -7.118 52 HD2 PRO 7 HD2 PRO 7 -6.125 -10.705 -6.952 53 HD3 PRO 7 HD3 PRO 7 -5.444 -9.129 -7.429 54 H HIS 8 H HIS 8 -6.802 -10.961 -3.817 55 HA HIS 8 HA HIS 8 -7.185 -10.168 -1.037 56 HB2 HIS 8 HB2 HIS 8 -8.589 -11.696 -2.679 57 HB3 HIS 8 HB3 HIS 8 -7.625 -12.974 -1.953 58 HD1 HIS 8 HD1 HIS 8 -8.163 -13.270 0.817 59 HD2 HIS 8 HD2 HIS 8 -10.616 -10.709 -1.471 60 HE1 HIS 8 HE1 HIS 8 -10.289 -12.908 2.159 61 H ASP 9 H ASP 9 -4.650 -11.896 -2.821 62 HA ASP 9 HA ASP 9 -3.572 -13.418 -0.650 63 HB2 ASP 9 HB2 ASP 9 -2.394 -12.323 -3.218 64 HB3 ASP 9 HB3 ASP 9 -1.355 -12.981 -1.980 65 H ALA 10 H ALA 10 -3.236 -9.994 -1.636 66 HA ALA 10 HA ALA 10 -1.006 -9.324 -0.017 67 HB1 ALA 10 HB1 ALA 10 -1.907 -7.753 -1.633 68 HB2 ALA 10 HB2 ALA 10 -3.446 -7.638 -0.748 69 HB3 ALA 10 HB3 ALA 10 -1.954 -7.003 -0.029 70 H GLN 11 H GLN 11 -4.496 -9.320 0.758 71 HA GLN 11 HA GLN 11 -4.390 -8.419 3.408 72 HB2 GLN 11 HB2 GLN 11 -6.336 -9.070 1.667 73 HB3 GLN 11 HB3 GLN 11 -6.412 -10.516 2.655 74 HG2 GLN 11 HG2 GLN 11 -6.502 -7.707 3.877 75 HG3 GLN 11 HG3 GLN 11 -7.880 -8.463 3.182 76 HE21 GLN 11 HE21 GLN 11 -9.138 -9.635 4.470 77 HE22 GLN 11 HE22 GLN 11 -8.704 -10.212 6.066 78 H GLU 12 H GLU 12 -4.072 -11.719 2.033 79 HA GLU 12 HA GLU 12 -3.891 -13.238 4.437 80 HB2 GLU 12 HB2 GLU 12 -3.965 -13.810 1.745 81 HB3 GLU 12 HB3 GLU 12 -2.244 -13.911 2.023 82 HG2 GLU 12 HG2 GLU 12 -2.988 -16.039 2.313 83 HG3 GLU 12 HG3 GLU 12 -2.858 -15.488 3.994 84 H LEU 13 H LEU 13 -1.369 -11.471 2.569 85 HA LEU 13 HA LEU 13 0.723 -12.556 4.264 86 HB2 LEU 13 HB2 LEU 13 0.712 -10.202 2.347 87 HB3 LEU 13 HB3 LEU 13 2.157 -10.855 3.129 88 HG LEU 13 HG LEU 13 0.314 -12.445 1.278 89 HD11 LEU 13 HD11 LEU 13 1.640 -10.633 0.125 90 HD12 LEU 13 HD12 LEU 13 1.891 -12.293 -0.441 91 HD13 LEU 13 HD13 LEU 13 3.108 -11.529 0.604 92 HD21 LEU 13 HD21 LEU 13 2.948 -13.163 2.594 93 HD22 LEU 13 HD22 LEU 13 2.234 -14.077 1.248 94 HD23 LEU 13 HD23 LEU 13 1.382 -13.973 2.782 95 H ILE 14 H ILE 14 -1.084 -9.474 4.219 96 HA ILE 14 HA ILE 14 0.250 -8.311 6.446 97 HB ILE 14 HB ILE 14 -2.584 -7.915 5.427 98 HG12 ILE 14 HG12 ILE 14 -0.428 -5.839 5.045 99 HG13 ILE 14 HG13 ILE 14 -0.236 -7.286 4.109 100 HG21 ILE 14 HG21 ILE 14 -2.382 -5.663 6.566 101 HG22 ILE 14 HG22 ILE 14 -2.511 -7.034 7.688 102 HG23 ILE 14 HG23 ILE 14 -0.934 -6.265 7.377 103 HD11 ILE 14 HD11 ILE 14 -2.572 -7.013 3.212 104 HD12 ILE 14 HD12 ILE 14 -2.704 -5.485 4.101 105 HD13 ILE 14 HD13 ILE 14 -1.513 -5.662 2.798 106 H ALA 15 H ALA 15 -2.650 -10.435 6.324 107 HA ALA 15 HA ALA 15 -3.212 -10.498 9.073 108 HB1 ALA 15 HB1 ALA 15 -4.393 -12.607 8.535 109 HB2 ALA 15 HB2 ALA 15 -4.689 -11.362 7.301 110 HB3 ALA 15 HB3 ALA 15 -3.554 -12.691 6.977 111 H ARG 16 H ARG 16 -0.739 -12.270 7.234 112 HA ARG 16 HA ARG 16 -0.125 -14.070 9.480 113 HB2 ARG 16 HB2 ARG 16 1.282 -13.579 6.817 114 HB3 ARG 16 HB3 ARG 16 1.746 -14.795 7.999 115 HG2 ARG 16 HG2 ARG 16 -0.325 -16.010 7.692 116 HG3 ARG 16 HG3 ARG 16 -1.077 -14.729 6.839 117 HD2 ARG 16 HD2 ARG 16 0.542 -14.904 4.988 118 HD3 ARG 16 HD3 ARG 16 1.414 -16.167 5.869 119 HE ARG 16 HE ARG 16 -1.160 -17.123 5.708 120 HH11 ARG 16 HH11 ARG 16 1.327 -16.223 3.328 121 HH12 ARG 16 HH12 ARG 16 0.553 -17.008 1.995 122 HH21 ARG 16 HH21 ARG 16 -2.194 -18.178 3.945 123 HH22 ARG 16 HH22 ARG 16 -1.471 -18.215 2.378 124 H GLY 17 H GLY 17 0.954 -10.916 8.355 125 HA2 GLY 17 HA2 GLY 17 2.052 -9.934 10.605 126 HA3 GLY 17 HA3 GLY 17 3.365 -10.971 10.059 127 H ALA 18 H ALA 18 2.141 -10.015 7.136 128 HA ALA 18 HA ALA 18 4.254 -8.133 6.760 129 HB1 ALA 18 HB1 ALA 18 3.318 -9.635 4.964 130 HB2 ALA 18 HB2 ALA 18 1.887 -8.572 4.888 131 HB3 ALA 18 HB3 ALA 18 3.482 -7.939 4.480 132 H LYS 19 H LYS 19 3.609 -5.986 5.515 133 HA LYS 19 HA LYS 19 1.590 -4.473 7.108 134 HB2 LYS 19 HB2 LYS 19 4.485 -4.147 6.976 135 HB3 LYS 19 HB3 LYS 19 3.742 -2.720 6.282 136 HG2 LYS 19 HG2 LYS 19 3.172 -3.898 9.023 137 HG3 LYS 19 HG3 LYS 19 4.236 -2.520 8.705 138 HD2 LYS 19 HD2 LYS 19 2.389 -1.116 8.019 139 HD3 LYS 19 HD3 LYS 19 1.282 -2.500 7.958 140 HE2 LYS 19 HE2 LYS 19 1.900 -2.872 10.436 141 HE3 LYS 19 HE3 LYS 19 2.499 -1.212 10.407 142 HZ1 LYS 19 HZ1 LYS 19 -0.229 -2.063 9.654 143 HZ2 LYS 19 HZ2 LYS 19 0.309 -0.472 9.816 144 HZ3 LYS 19 HZ3 LYS 19 0.182 -1.475 11.123 145 H LEU 20 H LEU 20 0.841 -2.423 6.004 146 HA LEU 20 HA LEU 20 1.036 -2.638 3.064 147 HB2 LEU 20 HB2 LEU 20 -1.133 -3.504 4.088 148 HB3 LEU 20 HB3 LEU 20 -1.455 -1.915 4.636 149 HG LEU 20 HG LEU 20 -1.583 -1.024 2.366 150 HD11 LEU 20 HD11 LEU 20 0.126 -2.429 1.238 151 HD12 LEU 20 HD12 LEU 20 -1.418 -2.463 0.432 152 HD13 LEU 20 HD13 LEU 20 -0.937 -3.844 1.418 153 HD21 LEU 20 HD21 LEU 20 -3.593 -2.152 1.643 154 HD22 LEU 20 HD22 LEU 20 -3.585 -2.247 3.419 155 HD23 LEU 20 HD23 LEU 20 -3.134 -3.653 2.458 156 H ILE 21 H ILE 21 1.894 -0.854 2.220 157 HA ILE 21 HA ILE 21 1.583 1.755 3.647 158 HB ILE 21 HB ILE 21 3.970 0.391 2.331 159 HG12 ILE 21 HG12 ILE 21 5.223 1.132 4.238 160 HG13 ILE 21 HG13 ILE 21 3.873 2.071 4.865 161 HG21 ILE 21 HG21 ILE 21 3.961 2.475 1.188 162 HG22 ILE 21 HG22 ILE 21 3.448 3.351 2.636 163 HG23 ILE 21 HG23 ILE 21 5.105 2.699 2.516 164 HD11 ILE 21 HD11 ILE 21 2.801 0.180 5.706 165 HD12 ILE 21 HD12 ILE 21 3.683 -0.935 4.602 166 HD13 ILE 21 HD13 ILE 21 4.496 -0.196 5.974 167 H ASP 22 H ASP 22 0.212 2.922 2.600 168 HA ASP 22 HA ASP 22 -0.440 2.575 -0.231 169 HB2 ASP 22 HB2 ASP 22 -1.295 4.496 1.977 170 HB3 ASP 22 HB3 ASP 22 -1.660 4.799 0.304 171 H ILE 23 H ILE 23 1.054 3.377 -1.690 172 HA ILE 23 HA ILE 23 2.638 5.755 -0.910 173 HB ILE 23 HB ILE 23 3.975 5.397 -2.867 174 HG12 ILE 23 HG12 ILE 23 2.404 2.839 -3.400 175 HG13 ILE 23 HG13 ILE 23 2.222 4.337 -4.337 176 HG21 ILE 23 HG21 ILE 23 4.476 4.321 -0.674 177 HG22 ILE 23 HG22 ILE 23 3.657 2.849 -1.227 178 HG23 ILE 23 HG23 ILE 23 5.136 3.411 -2.035 179 HD11 ILE 23 HD11 ILE 23 4.726 4.186 -4.824 180 HD12 ILE 23 HD12 ILE 23 4.668 2.545 -4.141 181 HD13 ILE 23 HD13 ILE 23 3.707 2.946 -5.573 182 H ARG 24 H ARG 24 -0.286 5.688 -1.451 183 HA ARG 24 HA ARG 24 -0.842 7.247 -3.857 184 HB2 ARG 24 HB2 ARG 24 -2.444 6.542 -1.338 185 HB3 ARG 24 HB3 ARG 24 -3.088 7.552 -2.632 186 HG2 ARG 24 HG2 ARG 24 -2.581 5.730 -4.264 187 HG3 ARG 24 HG3 ARG 24 -2.248 4.656 -2.874 188 HD2 ARG 24 HD2 ARG 24 -4.833 6.188 -3.325 189 HD3 ARG 24 HD3 ARG 24 -4.594 4.493 -3.792 190 HE ARG 24 HE ARG 24 -3.860 4.440 -1.185 191 HH11 ARG 24 HH11 ARG 24 -6.753 5.822 -2.691 192 HH12 ARG 24 HH12 ARG 24 -7.826 5.312 -1.431 193 HH21 ARG 24 HH21 ARG 24 -5.146 3.703 0.353 194 HH22 ARG 24 HH22 ARG 24 -6.860 4.097 0.450 195 H ASP 25 H ASP 25 -2.255 9.319 -3.321 196 HA ASP 25 HA ASP 25 -0.339 11.214 -2.147 197 HB2 ASP 25 HB2 ASP 25 -3.044 11.459 -3.520 198 HB3 ASP 25 HB3 ASP 25 -2.420 12.806 -2.567 199 H ALA 26 H ALA 26 -0.600 12.348 -0.231 200 HA ALA 26 HA ALA 26 -1.762 10.956 1.945 201 HB1 ALA 26 HB1 ALA 26 0.047 12.652 2.182 202 HB2 ALA 26 HB2 ALA 26 -1.114 13.919 1.731 203 HB3 ALA 26 HB3 ALA 26 -1.329 13.011 3.239 204 H ASP 27 H ASP 27 -3.118 13.450 -0.135 205 HA ASP 27 HA ASP 27 -5.347 14.210 1.434 206 HB2 ASP 27 HB2 ASP 27 -4.950 14.142 -1.575 207 HB3 ASP 27 HB3 ASP 27 -6.319 14.922 -0.779 208 H GLU 28 H GLU 28 -4.786 11.220 -0.351 209 HA GLU 28 HA GLU 28 -7.603 10.546 -0.632 210 HB2 GLU 28 HB2 GLU 28 -5.122 8.774 -0.696 211 HB3 GLU 28 HB3 GLU 28 -6.729 8.305 -1.232 212 HG2 GLU 28 HG2 GLU 28 -5.177 10.614 -2.513 213 HG3 GLU 28 HG3 GLU 28 -5.018 8.944 -3.018 214 H TYR 29 H TYR 29 -4.982 9.887 1.707 215 HA TYR 29 HA TYR 29 -6.453 8.083 3.375 216 HB2 TYR 29 HB2 TYR 29 -4.028 8.179 3.524 217 HB3 TYR 29 HB3 TYR 29 -4.059 9.879 3.906 218 HD1 TYR 29 HD1 TYR 29 -5.022 10.658 6.174 219 HD2 TYR 29 HD2 TYR 29 -4.232 6.523 5.260 220 HE1 TYR 29 HE1 TYR 29 -4.971 10.133 8.576 221 HE2 TYR 29 HE2 TYR 29 -4.045 6.008 7.645 222 HH TYR 29 HH TYR 29 -4.244 6.820 9.773 223 H LEU 30 H LEU 30 -6.518 11.556 3.048 224 HA LEU 30 HA LEU 30 -7.849 12.097 5.579 225 HB2 LEU 30 HB2 LEU 30 -7.225 13.658 3.074 226 HB3 LEU 30 HB3 LEU 30 -8.537 14.197 4.098 227 HG LEU 30 HG LEU 30 -6.959 14.157 6.076 228 HD11 LEU 30 HD11 LEU 30 -4.811 13.919 3.920 229 HD12 LEU 30 HD12 LEU 30 -5.172 12.691 5.147 230 HD13 LEU 30 HD13 LEU 30 -4.536 14.268 5.636 231 HD21 LEU 30 HD21 LEU 30 -7.564 16.227 4.871 232 HD22 LEU 30 HD22 LEU 30 -6.172 15.990 3.787 233 HD23 LEU 30 HD23 LEU 30 -5.921 16.288 5.521 234 H ARG 31 H ARG 31 -8.900 10.927 2.512 235 HA ARG 31 HA ARG 31 -11.765 11.569 2.906 236 HB2 ARG 31 HB2 ARG 31 -10.233 10.277 0.606 237 HB3 ARG 31 HB3 ARG 31 -11.987 10.512 0.680 238 HG2 ARG 31 HG2 ARG 31 -11.524 12.969 1.117 239 HG3 ARG 31 HG3 ARG 31 -9.835 12.681 0.695 240 HD2 ARG 31 HD2 ARG 31 -10.344 12.206 -1.555 241 HD3 ARG 31 HD3 ARG 31 -11.998 11.707 -1.138 242 HE ARG 31 HE ARG 31 -12.788 13.758 -1.275 243 HH11 ARG 31 HH11 ARG 31 -9.239 14.110 -1.639 244 HH12 ARG 31 HH12 ARG 31 -9.270 15.828 -1.436 245 HH21 ARG 31 HH21 ARG 31 -12.791 15.986 -0.970 246 HH22 ARG 31 HH22 ARG 31 -11.390 16.955 -1.313 247 H GLU 32 H GLU 32 -10.004 8.591 1.908 248 HA GLU 32 HA GLU 32 -11.204 6.932 3.912 249 HB2 GLU 32 HB2 GLU 32 -12.349 5.445 2.191 250 HB3 GLU 32 HB3 GLU 32 -13.183 6.897 2.679 251 HG2 GLU 32 HG2 GLU 32 -12.194 7.927 0.446 252 HG3 GLU 32 HG3 GLU 32 -11.948 6.245 0.008 253 H HIS 33 H HIS 33 -9.917 5.092 4.072 254 HA HIS 33 HA HIS 33 -8.081 4.475 1.850 255 HB2 HIS 33 HB2 HIS 33 -6.109 4.472 3.326 256 HB3 HIS 33 HB3 HIS 33 -6.826 6.046 3.167 257 HD1 HIS 33 HD1 HIS 33 -6.078 3.406 5.880 258 HD2 HIS 33 HD2 HIS 33 -8.166 7.064 5.352 259 HE1 HIS 33 HE1 HIS 33 -6.611 4.290 8.165 260 H ILE 34 H ILE 34 -6.549 2.641 3.698 261 HA ILE 34 HA ILE 34 -8.594 0.503 3.896 262 HB ILE 34 HB ILE 34 -5.648 0.351 3.173 263 HG12 ILE 34 HG12 ILE 34 -8.124 -0.440 1.555 264 HG13 ILE 34 HG13 ILE 34 -7.335 1.123 1.383 265 HG21 ILE 34 HG21 ILE 34 -6.371 -1.596 4.614 266 HG22 ILE 34 HG22 ILE 34 -7.656 -1.943 3.449 267 HG23 ILE 34 HG23 ILE 34 -5.955 -2.078 2.979 268 HD11 ILE 34 HD11 ILE 34 -5.999 -1.527 0.831 269 HD12 ILE 34 HD12 ILE 34 -6.597 -0.354 -0.361 270 HD13 ILE 34 HD13 ILE 34 -5.241 0.070 0.719 271 HA PRO 35 HA PRO 35 -7.541 0.843 8.232 272 HB2 PRO 35 HB2 PRO 35 -8.606 -1.504 9.172 273 HB3 PRO 35 HB3 PRO 35 -9.614 -0.119 8.637 274 HG2 PRO 35 HG2 PRO 35 -8.809 -2.584 7.028 275 HG3 PRO 35 HG3 PRO 35 -10.453 -1.875 7.225 276 HD2 PRO 35 HD2 PRO 35 -8.874 -1.414 5.094 277 HD3 PRO 35 HD3 PRO 35 -9.875 -0.110 5.744 278 H GLU 36 H GLU 36 -6.697 -2.107 6.492 279 HA GLU 36 HA GLU 36 -4.795 -3.080 8.429 280 HB2 GLU 36 HB2 GLU 36 -5.354 -3.931 5.586 281 HB3 GLU 36 HB3 GLU 36 -4.341 -4.806 6.738 282 HG2 GLU 36 HG2 GLU 36 -7.258 -4.177 7.208 283 HG3 GLU 36 HG3 GLU 36 -6.661 -5.700 6.566 284 H ALA 37 H ALA 37 -4.526 -0.370 6.786 285 HA ALA 37 HA ALA 37 -1.632 -0.617 6.194 286 HB1 ALA 37 HB1 ALA 37 -1.991 0.558 4.198 287 HB2 ALA 37 HB2 ALA 37 -3.532 -0.284 4.271 288 HB3 ALA 37 HB3 ALA 37 -3.439 1.387 4.819 289 H ASP 38 H ASP 38 -0.747 1.756 5.884 290 HA ASP 38 HA ASP 38 -1.600 3.360 8.260 291 HB2 ASP 38 HB2 ASP 38 1.064 2.213 7.462 292 HB3 ASP 38 HB3 ASP 38 1.067 3.859 8.054 293 H LEU 39 H LEU 39 0.883 4.505 6.380 294 HA LEU 39 HA LEU 39 -0.287 5.529 3.996 295 HB2 LEU 39 HB2 LEU 39 -1.712 6.953 5.387 296 HB3 LEU 39 HB3 LEU 39 -0.357 7.376 6.430 297 HG LEU 39 HG LEU 39 0.700 8.618 4.545 298 HD11 LEU 39 HD11 LEU 39 -0.644 9.137 2.521 299 HD12 LEU 39 HD12 LEU 39 -1.889 7.997 3.060 300 HD13 LEU 39 HD13 LEU 39 -0.294 7.414 2.601 301 HD21 LEU 39 HD21 LEU 39 -0.683 9.756 6.185 302 HD22 LEU 39 HD22 LEU 39 -2.112 9.502 5.176 303 HD23 LEU 39 HD23 LEU 39 -0.790 10.528 4.589 304 H ALA 40 H ALA 40 1.402 6.358 2.799 305 HA ALA 40 HA ALA 40 3.676 7.670 3.944 306 HB1 ALA 40 HB1 ALA 40 4.076 5.099 4.493 307 HB2 ALA 40 HB2 ALA 40 4.685 5.089 2.830 308 HB3 ALA 40 HB3 ALA 40 5.384 6.196 3.999 309 HA PRO 41 HA PRO 41 2.703 8.340 -0.517 310 HB2 PRO 41 HB2 PRO 41 3.184 11.095 -0.508 311 HB3 PRO 41 HB3 PRO 41 1.593 10.348 -0.162 312 HG2 PRO 41 HG2 PRO 41 3.645 11.351 1.729 313 HG3 PRO 41 HG3 PRO 41 1.878 11.490 1.854 314 HD2 PRO 41 HD2 PRO 41 3.312 9.654 3.273 315 HD3 PRO 41 HD3 PRO 41 1.675 9.284 2.671 316 H LEU 42 H LEU 42 4.159 8.715 -2.260 317 HA LEU 42 HA LEU 42 6.849 8.128 -1.733 318 HB2 LEU 42 HB2 LEU 42 5.323 8.304 -4.026 319 HB3 LEU 42 HB3 LEU 42 6.388 9.659 -4.216 320 HG LEU 42 HG LEU 42 7.784 8.278 -5.228 321 HD11 LEU 42 HD11 LEU 42 8.371 6.852 -2.614 322 HD12 LEU 42 HD12 LEU 42 9.006 8.465 -3.044 323 HD13 LEU 42 HD13 LEU 42 9.411 7.060 -4.030 324 HD21 LEU 42 HD21 LEU 42 7.573 5.800 -5.093 325 HD22 LEU 42 HD22 LEU 42 6.065 6.636 -5.508 326 HD23 LEU 42 HD23 LEU 42 6.303 6.035 -3.843 327 H SER 43 H SER 43 5.144 11.204 -2.099 328 HA SER 43 HA SER 43 7.314 12.955 -2.247 329 HB2 SER 43 HB2 SER 43 4.561 13.537 -1.110 330 HB3 SER 43 HB3 SER 43 5.739 14.683 -1.820 331 HG SER 43 HG SER 43 4.222 14.031 -3.410 332 H VAL 44 H VAL 44 6.480 11.014 0.482 333 HA VAL 44 HA VAL 44 8.008 12.820 2.318 334 HB VAL 44 HB VAL 44 5.914 10.665 2.795 335 HG11 VAL 44 HG11 VAL 44 7.413 12.289 4.879 336 HG12 VAL 44 HG12 VAL 44 6.126 11.106 5.184 337 HG13 VAL 44 HG13 VAL 44 7.701 10.564 4.572 338 HG21 VAL 44 HG21 VAL 44 5.084 12.954 2.122 339 HG22 VAL 44 HG22 VAL 44 4.666 12.564 3.800 340 HG23 VAL 44 HG23 VAL 44 6.025 13.646 3.434 341 H LEU 45 H LEU 45 7.776 9.608 0.816 342 HA LEU 45 HA LEU 45 9.917 8.362 2.216 343 HB2 LEU 45 HB2 LEU 45 8.605 7.886 -0.483 344 HB3 LEU 45 HB3 LEU 45 9.826 6.842 0.190 345 HG LEU 45 HG LEU 45 7.078 7.397 1.401 346 HD11 LEU 45 HD11 LEU 45 6.670 5.040 0.844 347 HD12 LEU 45 HD12 LEU 45 8.305 4.919 0.132 348 HD13 LEU 45 HD13 LEU 45 7.069 5.988 -0.592 349 HD21 LEU 45 HD21 LEU 45 8.557 7.053 3.251 350 HD22 LEU 45 HD22 LEU 45 9.365 5.682 2.443 351 HD23 LEU 45 HD23 LEU 45 7.674 5.550 2.992 352 H GLU 46 H GLU 46 9.910 9.666 -1.202 353 HA GLU 46 HA GLU 46 12.650 9.320 -1.608 354 HB2 GLU 46 HB2 GLU 46 10.517 10.998 -2.834 355 HB3 GLU 46 HB3 GLU 46 12.185 11.403 -3.216 356 HG2 GLU 46 HG2 GLU 46 11.306 8.504 -3.308 357 HG3 GLU 46 HG3 GLU 46 10.686 9.592 -4.533 358 H GLN 47 H GLN 47 11.100 11.761 0.281 359 HA GLN 47 HA GLN 47 13.357 13.567 0.471 360 HB2 GLN 47 HB2 GLN 47 10.693 13.326 1.949 361 HB3 GLN 47 HB3 GLN 47 11.975 14.381 2.533 362 HG2 GLN 47 HG2 GLN 47 12.046 15.418 0.194 363 HG3 GLN 47 HG3 GLN 47 10.543 14.563 -0.126 364 HE21 GLN 47 HE21 GLN 47 8.579 15.316 0.962 365 HE22 GLN 47 HE22 GLN 47 8.596 16.763 1.967 366 H SER 48 H SER 48 11.875 11.249 2.839 367 HA SER 48 HA SER 48 14.518 11.289 4.254 368 HB2 SER 48 HB2 SER 48 12.151 12.261 5.168 369 HB3 SER 48 HB3 SER 48 12.074 10.606 5.791 370 HG SER 48 HG SER 48 13.922 12.692 6.218 371 H GLY 49 H GLY 49 11.812 9.085 3.352 372 HA2 GLY 49 HA2 GLY 49 12.496 6.845 2.672 373 HA3 GLY 49 HA3 GLY 49 13.603 6.786 4.046 374 H LEU 50 H LEU 50 12.030 4.709 4.015 375 HA LEU 50 HA LEU 50 9.428 5.054 5.147 376 HB2 LEU 50 HB2 LEU 50 10.342 3.097 3.748 377 HB3 LEU 50 HB3 LEU 50 11.212 2.585 5.194 378 HG LEU 50 HG LEU 50 8.955 2.473 6.370 379 HD11 LEU 50 HD11 LEU 50 7.869 2.696 3.515 380 HD12 LEU 50 HD12 LEU 50 7.635 3.919 4.774 381 HD13 LEU 50 HD13 LEU 50 6.939 2.318 4.977 382 HD21 LEU 50 HD21 LEU 50 9.256 0.719 3.885 383 HD22 LEU 50 HD22 LEU 50 8.377 0.306 5.362 384 HD23 LEU 50 HD23 LEU 50 10.142 0.483 5.398 385 HA PRO 51 HA PRO 51 10.895 5.599 9.353 386 HB2 PRO 51 HB2 PRO 51 8.596 5.242 10.804 387 HB3 PRO 51 HB3 PRO 51 8.867 6.676 9.749 388 HG2 PRO 51 HG2 PRO 51 7.392 4.108 9.171 389 HG3 PRO 51 HG3 PRO 51 6.809 5.775 8.888 390 HD2 PRO 51 HD2 PRO 51 7.915 4.245 6.924 391 HD3 PRO 51 HD3 PRO 51 8.197 5.988 6.955 392 H ALA 52 H ALA 52 11.216 4.485 11.364 393 HA ALA 52 HA ALA 52 11.922 1.813 11.165 394 HB1 ALA 52 HB1 ALA 52 12.938 3.359 12.753 395 HB2 ALA 52 HB2 ALA 52 11.403 3.504 13.636 396 HB3 ALA 52 HB3 ALA 52 12.288 1.966 13.622 397 H LYS 53 H LYS 53 8.737 3.008 11.731 398 HA LYS 53 HA LYS 53 7.799 0.596 13.182 399 HB2 LYS 53 HB2 LYS 53 6.143 2.866 12.007 400 HB3 LYS 53 HB3 LYS 53 5.611 1.640 13.148 401 HG2 LYS 53 HG2 LYS 53 7.551 3.927 13.660 402 HG3 LYS 53 HG3 LYS 53 5.904 3.756 14.271 403 HD2 LYS 53 HD2 LYS 53 6.611 1.738 15.574 404 HD3 LYS 53 HD3 LYS 53 8.276 1.984 14.990 405 HE2 LYS 53 HE2 LYS 53 8.244 4.293 15.932 406 HE3 LYS 53 HE3 LYS 53 6.644 3.979 16.619 407 HZ1 LYS 53 HZ1 LYS 53 8.541 3.687 18.134 408 HZ2 LYS 53 HZ2 LYS 53 9.052 2.388 17.256 409 HZ3 LYS 53 HZ3 LYS 53 7.606 2.319 18.035 410 H LEU 54 H LEU 54 7.050 2.245 10.115 411 HA LEU 54 HA LEU 54 5.588 0.087 9.022 412 HB2 LEU 54 HB2 LEU 54 6.941 2.384 7.592 413 HB3 LEU 54 HB3 LEU 54 5.689 1.364 6.911 414 HG LEU 54 HG LEU 54 5.385 3.202 9.300 415 HD11 LEU 54 HD11 LEU 54 4.057 3.446 6.577 416 HD12 LEU 54 HD12 LEU 54 5.505 4.351 7.062 417 HD13 LEU 54 HD13 LEU 54 3.982 4.590 7.926 418 HD21 LEU 54 HD21 LEU 54 3.014 2.730 9.246 419 HD22 LEU 54 HD22 LEU 54 3.916 1.289 9.630 420 HD23 LEU 54 HD23 LEU 54 3.256 1.483 7.985 421 H ARG 55 H ARG 55 9.003 0.335 9.211 422 HA ARG 55 HA ARG 55 9.665 -1.169 6.822 423 HB2 ARG 55 HB2 ARG 55 11.897 -1.106 7.641 424 HB3 ARG 55 HB3 ARG 55 11.202 0.482 7.956 425 HG2 ARG 55 HG2 ARG 55 11.040 0.129 10.248 426 HG3 ARG 55 HG3 ARG 55 11.142 -1.617 10.176 427 HD2 ARG 55 HD2 ARG 55 13.446 -1.278 9.134 428 HD3 ARG 55 HD3 ARG 55 13.344 0.378 9.772 429 HE ARG 55 HE ARG 55 12.755 -1.148 11.949 430 HH11 ARG 55 HH11 ARG 55 15.488 -1.105 9.701 431 HH12 ARG 55 HH12 ARG 55 16.434 -2.304 10.511 432 HH21 ARG 55 HH21 ARG 55 14.165 -2.349 13.353 433 HH22 ARG 55 HH22 ARG 55 15.728 -2.853 12.827 434 H HIS 56 H HIS 56 7.749 -2.452 8.540 435 HA HIS 56 HA HIS 56 8.837 -4.550 10.071 436 HB2 HIS 56 HB2 HIS 56 6.320 -3.766 9.725 437 HB3 HIS 56 HB3 HIS 56 6.295 -5.030 8.507 438 HD1 HIS 56 HD1 HIS 56 5.033 -7.071 9.756 439 HD2 HIS 56 HD2 HIS 56 7.980 -5.081 12.063 440 HE1 HIS 56 HE1 HIS 56 5.331 -8.410 11.813 441 H GLU 57 H GLU 57 8.771 -6.879 9.622 442 HA GLU 57 HA GLU 57 10.636 -7.862 8.068 443 HB2 GLU 57 HB2 GLU 57 9.592 -10.054 8.305 444 HB3 GLU 57 HB3 GLU 57 9.399 -9.107 9.776 445 HG2 GLU 57 HG2 GLU 57 7.057 -8.552 9.090 446 HG3 GLU 57 HG3 GLU 57 7.249 -9.543 7.659 447 H GLN 58 H GLN 58 7.389 -7.257 6.747 448 HA GLN 58 HA GLN 58 8.360 -7.330 4.024 449 HB2 GLN 58 HB2 GLN 58 8.084 -9.707 4.383 450 HB3 GLN 58 HB3 GLN 58 6.533 -9.483 5.212 451 HG2 GLN 58 HG2 GLN 58 5.431 -8.908 3.226 452 HG3 GLN 58 HG3 GLN 58 6.943 -8.691 2.332 453 HE21 GLN 58 HE21 GLN 58 4.426 -10.917 2.856 454 HE22 GLN 58 HE22 GLN 58 5.297 -12.412 2.537 455 H ILE 59 H ILE 59 7.033 -6.042 2.751 456 HA ILE 59 HA ILE 59 4.496 -5.157 3.918 457 HB ILE 59 HB ILE 59 4.959 -2.929 3.910 458 HG12 ILE 59 HG12 ILE 59 7.373 -3.382 2.132 459 HG13 ILE 59 HG13 ILE 59 5.855 -2.613 1.689 460 HG21 ILE 59 HG21 ILE 59 6.258 -4.071 5.737 461 HG22 ILE 59 HG22 ILE 59 7.706 -3.938 4.736 462 HG23 ILE 59 HG23 ILE 59 6.860 -2.493 5.298 463 HD11 ILE 59 HD11 ILE 59 6.307 -0.784 3.319 464 HD12 ILE 59 HD12 ILE 59 7.936 -1.477 3.563 465 HD13 ILE 59 HD13 ILE 59 7.462 -0.888 1.971 466 H ILE 60 H ILE 60 3.293 -3.765 2.226 467 HA ILE 60 HA ILE 60 3.880 -4.622 -0.557 468 HB ILE 60 HB ILE 60 1.156 -4.696 0.780 469 HG12 ILE 60 HG12 ILE 60 2.112 -7.296 -0.275 470 HG13 ILE 60 HG13 ILE 60 3.102 -6.723 1.034 471 HG21 ILE 60 HG21 ILE 60 2.035 -5.570 -2.008 472 HG22 ILE 60 HG22 ILE 60 0.446 -5.881 -1.304 473 HG23 ILE 60 HG23 ILE 60 0.977 -4.211 -1.605 474 HD11 ILE 60 HD11 ILE 60 1.147 -6.425 2.466 475 HD12 ILE 60 HD12 ILE 60 0.098 -7.027 1.155 476 HD13 ILE 60 HD13 ILE 60 1.323 -8.088 1.885 477 H PHE 61 H PHE 61 3.177 -3.091 -2.103 478 HA PHE 61 HA PHE 61 2.514 -0.375 -1.082 479 HB2 PHE 61 HB2 PHE 61 4.207 -1.323 -3.431 480 HB3 PHE 61 HB3 PHE 61 3.686 0.331 -3.225 481 HD1 PHE 61 HD1 PHE 61 4.168 0.658 -0.209 482 HD2 PHE 61 HD2 PHE 61 6.580 -1.092 -3.331 483 HE1 PHE 61 HE1 PHE 61 6.224 1.336 0.985 484 HE2 PHE 61 HE2 PHE 61 8.644 -0.394 -2.073 485 HZ PHE 61 HZ PHE 61 8.441 0.861 0.023 486 H HIS 62 H HIS 62 0.818 0.680 -2.139 487 HA HIS 62 HA HIS 62 -0.481 -0.500 -4.517 488 HB2 HIS 62 HB2 HIS 62 -1.890 0.383 -1.954 489 HB3 HIS 62 HB3 HIS 62 -2.698 0.052 -3.447 490 HD1 HIS 62 HD1 HIS 62 -0.288 -2.680 -2.995 491 HD2 HIS 62 HD2 HIS 62 -3.956 -1.505 -1.266 492 HE1 HIS 62 HE1 HIS 62 -1.256 -4.704 -1.739 493 H CYS 63 H CYS 63 -1.714 1.230 -5.658 494 HA CYS 63 HA CYS 63 -1.315 3.923 -4.646 495 HB2 CYS 63 HB2 CYS 63 -0.329 4.846 -6.565 496 HB3 CYS 63 HB3 CYS 63 0.676 3.541 -5.952 497 HG CYS 63 HG CYS 63 -0.090 1.719 -7.690 498 H GLN 64 H GLN 64 -2.320 5.313 -6.871 499 HA GLN 64 HA GLN 64 -5.115 4.968 -6.406 500 HB2 GLN 64 HB2 GLN 64 -3.698 7.060 -6.931 501 HB3 GLN 64 HB3 GLN 64 -3.837 6.615 -8.624 502 HG2 GLN 64 HG2 GLN 64 -6.112 7.279 -6.695 503 HG3 GLN 64 HG3 GLN 64 -5.394 8.360 -7.884 504 HE21 GLN 64 HE21 GLN 64 -7.602 5.677 -7.427 505 HE22 GLN 64 HE22 GLN 64 -8.059 5.485 -9.101 506 H ALA 65 H ALA 65 -3.192 4.530 -9.443 507 HA ALA 65 HA ALA 65 -4.909 2.308 -10.302 508 HB1 ALA 65 HB1 ALA 65 -6.150 4.353 -11.042 509 HB2 ALA 65 HB2 ALA 65 -4.708 4.908 -11.904 510 HB3 ALA 65 HB3 ALA 65 -5.521 3.413 -12.410 511 H GLY 66 H GLY 66 -2.311 1.981 -9.617 512 HA2 GLY 66 HA2 GLY 66 -0.321 1.152 -10.400 513 HA3 GLY 66 HA3 GLY 66 -1.001 1.188 -12.020 514 H LYS 67 H LYS 67 -1.384 4.237 -11.412 515 HA LYS 67 HA LYS 67 0.727 5.257 -12.923 516 HB2 LYS 67 HB2 LYS 67 -1.061 6.821 -11.052 517 HB3 LYS 67 HB3 LYS 67 -0.192 7.467 -12.439 518 HG2 LYS 67 HG2 LYS 67 -2.423 5.414 -12.684 519 HG3 LYS 67 HG3 LYS 67 -2.649 7.128 -12.695 520 HD2 LYS 67 HD2 LYS 67 -2.734 6.359 -14.916 521 HD3 LYS 67 HD3 LYS 67 -1.320 7.394 -14.698 522 HE2 LYS 67 HE2 LYS 67 0.138 5.400 -14.717 523 HE3 LYS 67 HE3 LYS 67 -1.285 4.355 -14.887 524 HZ1 LYS 67 HZ1 LYS 67 -0.155 4.862 -16.987 525 HZ2 LYS 67 HZ2 LYS 67 -0.478 6.461 -16.808 526 HZ3 LYS 67 HZ3 LYS 67 -1.719 5.386 -17.012 527 H ARG 68 H ARG 68 1.383 4.144 -10.003 528 HA ARG 68 HA ARG 68 3.628 6.024 -9.656 529 HB2 ARG 68 HB2 ARG 68 1.783 6.793 -8.174 530 HB3 ARG 68 HB3 ARG 68 1.855 5.256 -7.304 531 HG2 ARG 68 HG2 ARG 68 3.916 5.728 -6.341 532 HG3 ARG 68 HG3 ARG 68 4.400 6.868 -7.602 533 HD2 ARG 68 HD2 ARG 68 2.063 7.416 -5.755 534 HD3 ARG 68 HD3 ARG 68 3.718 7.849 -5.311 535 HE ARG 68 HE ARG 68 3.753 9.118 -7.538 536 HH11 ARG 68 HH11 ARG 68 0.906 8.955 -5.426 537 HH12 ARG 68 HH12 ARG 68 0.288 10.499 -5.919 538 HH21 ARG 68 HH21 ARG 68 2.863 11.003 -8.343 539 HH22 ARG 68 HH22 ARG 68 1.305 11.557 -7.777 540 H THR 69 H THR 69 2.146 2.765 -8.916 541 HA THR 69 HA THR 69 4.627 1.761 -7.860 542 HB THR 69 HB THR 69 3.382 -0.456 -8.467 543 HG1 THR 69 HG1 THR 69 1.623 -0.221 -9.494 544 HG21 THR 69 HG21 THR 69 1.923 -0.282 -6.497 545 HG22 THR 69 HG22 THR 69 2.043 1.488 -6.522 546 HG23 THR 69 HG23 THR 69 3.477 0.493 -6.162 547 H SER 70 H SER 70 5.897 0.132 -9.099 548 HA SER 70 HA SER 70 7.257 -0.448 -10.760 549 HB2 SER 70 HB2 SER 70 6.363 -1.185 -12.760 550 HB3 SER 70 HB3 SER 70 5.088 -1.400 -11.569 551 HG SER 70 HG SER 70 3.967 0.258 -12.488 552 H ASN 71 H ASN 71 6.229 2.665 -10.638 553 HA ASN 71 HA ASN 71 7.805 3.751 -12.898 554 HB2 ASN 71 HB2 ASN 71 5.448 4.458 -12.151 555 HB3 ASN 71 HB3 ASN 71 6.210 5.232 -10.767 556 HD21 ASN 71 HD21 ASN 71 4.753 6.135 -13.426 557 HD22 ASN 71 HD22 ASN 71 5.767 7.457 -13.961 558 H ASN 72 H ASN 72 7.903 3.555 -9.379 559 HA ASN 72 HA ASN 72 10.588 4.872 -9.378 560 HB2 ASN 72 HB2 ASN 72 8.152 5.578 -7.755 561 HB3 ASN 72 HB3 ASN 72 9.683 5.558 -6.888 562 HD21 ASN 72 HD21 ASN 72 7.839 7.962 -8.060 563 HD22 ASN 72 HD22 ASN 72 9.102 8.831 -8.921 564 H ALA 73 H ALA 73 9.724 2.072 -9.521 565 HA ALA 73 HA ALA 73 9.874 0.527 -7.293 566 HB1 ALA 73 HB1 ALA 73 10.954 0.023 -10.078 567 HB2 ALA 73 HB2 ALA 73 10.546 -1.207 -8.895 568 HB3 ALA 73 HB3 ALA 73 9.260 -0.186 -9.564 569 H ASP 74 H ASP 74 12.653 2.191 -8.895 570 HA ASP 74 HA ASP 74 14.765 0.619 -7.978 571 HB2 ASP 74 HB2 ASP 74 14.277 3.543 -8.748 572 HB3 ASP 74 HB3 ASP 74 15.849 2.921 -8.324 573 H LYS 75 H LYS 75 13.971 3.855 -6.864 574 HA LYS 75 HA LYS 75 15.137 3.636 -4.336 575 HB2 LYS 75 HB2 LYS 75 12.849 5.577 -4.750 576 HB3 LYS 75 HB3 LYS 75 14.377 5.784 -3.889 577 HG2 LYS 75 HG2 LYS 75 14.808 7.044 -5.625 578 HG3 LYS 75 HG3 LYS 75 15.366 5.526 -6.325 579 HD2 LYS 75 HD2 LYS 75 13.051 5.225 -7.391 580 HD3 LYS 75 HD3 LYS 75 12.572 6.791 -6.659 581 HE2 LYS 75 HE2 LYS 75 14.536 7.855 -7.429 582 HE3 LYS 75 HE3 LYS 75 15.104 6.411 -8.275 583 HZ1 LYS 75 HZ1 LYS 75 12.506 7.484 -9.064 584 HZ2 LYS 75 HZ2 LYS 75 13.693 6.814 -10.013 585 HZ3 LYS 75 HZ3 LYS 75 13.814 8.378 -9.451 586 H LEU 76 H LEU 76 11.763 3.161 -5.378 587 HA LEU 76 HA LEU 76 10.653 2.770 -2.779 588 HB2 LEU 76 HB2 LEU 76 9.885 1.519 -5.417 589 HB3 LEU 76 HB3 LEU 76 9.071 1.031 -3.946 590 HG LEU 76 HG LEU 76 9.189 3.913 -4.922 591 HD11 LEU 76 HD11 LEU 76 6.876 3.571 -5.622 592 HD12 LEU 76 HD12 LEU 76 6.912 1.891 -5.040 593 HD13 LEU 76 HD13 LEU 76 7.911 2.394 -6.431 594 HD21 LEU 76 HD21 LEU 76 8.858 3.883 -2.516 595 HD22 LEU 76 HD22 LEU 76 7.702 2.538 -2.629 596 HD23 LEU 76 HD23 LEU 76 7.274 4.138 -3.236 597 H ALA 77 H ALA 77 12.143 0.207 -4.854 598 HA ALA 77 HA ALA 77 11.817 -1.906 -2.885 599 HB1 ALA 77 HB1 ALA 77 13.738 -2.984 -4.023 600 HB2 ALA 77 HB2 ALA 77 12.496 -2.421 -5.155 601 HB3 ALA 77 HB3 ALA 77 14.014 -1.504 -4.962 602 H ALA 78 H ALA 78 14.493 0.436 -3.449 603 HA ALA 78 HA ALA 78 16.276 -0.482 -1.492 604 HB1 ALA 78 HB1 ALA 78 17.333 1.751 -1.816 605 HB2 ALA 78 HB2 ALA 78 16.911 0.973 -3.356 606 HB3 ALA 78 HB3 ALA 78 15.919 2.292 -2.703 607 H ILE 79 H ILE 79 13.924 2.142 -1.268 608 HA ILE 79 HA ILE 79 14.460 3.226 1.270 609 HB ILE 79 HB ILE 79 12.012 3.055 -0.533 610 HG12 ILE 79 HG12 ILE 79 13.520 5.565 0.275 611 HG13 ILE 79 HG13 ILE 79 14.117 4.553 -1.039 612 HG21 ILE 79 HG21 ILE 79 10.952 4.850 0.867 613 HG22 ILE 79 HG22 ILE 79 11.023 3.272 1.635 614 HG23 ILE 79 HG23 ILE 79 12.201 4.532 2.095 615 HD11 ILE 79 HD11 ILE 79 11.525 6.119 -0.916 616 HD12 ILE 79 HD12 ILE 79 12.828 6.243 -2.086 617 HD13 ILE 79 HD13 ILE 79 11.758 4.827 -2.102 618 H ALA 80 H ALA 80 12.307 0.532 0.289 619 HA ALA 80 HA ALA 80 11.241 0.189 2.955 620 HB1 ALA 80 HB1 ALA 80 10.043 -1.621 1.977 621 HB2 ALA 80 HB2 ALA 80 10.120 -0.379 0.722 622 HB3 ALA 80 HB3 ALA 80 11.208 -1.775 0.645 623 H ALA 81 H ALA 81 13.730 -1.538 1.043 624 HA ALA 81 HA ALA 81 14.191 -3.707 2.655 625 HB1 ALA 81 HB1 ALA 81 15.215 -3.346 0.436 626 HB2 ALA 81 HB2 ALA 81 16.255 -2.070 1.126 627 HB3 ALA 81 HB3 ALA 81 16.462 -3.757 1.641 628 HA PRO 82 HA PRO 82 16.147 -5.004 3.486 629 HB2 PRO 82 HB2 PRO 82 16.931 -6.142 5.806 630 HB3 PRO 82 HB3 PRO 82 18.016 -5.106 4.821 631 HG2 PRO 82 HG2 PRO 82 16.414 -4.310 7.275 632 HG3 PRO 82 HG3 PRO 82 18.144 -3.993 6.921 633 HD2 PRO 82 HD2 PRO 82 16.171 -2.160 6.405 634 HD3 PRO 82 HD3 PRO 82 17.629 -2.313 5.399 635 H ALA 83 H ALA 83 14.148 -5.720 3.046 636 HA ALA 83 HA ALA 83 12.586 -7.361 4.529 637 HB1 ALA 83 HB1 ALA 83 10.514 -5.862 4.798 638 HB2 ALA 83 HB2 ALA 83 11.774 -5.646 6.003 639 HB3 ALA 83 HB3 ALA 83 11.630 -4.468 4.686 640 H GLU 84 H GLU 84 10.447 -7.647 3.204 641 HA GLU 84 HA GLU 84 11.116 -7.293 0.355 642 HB2 GLU 84 HB2 GLU 84 9.242 -9.158 1.840 643 HB3 GLU 84 HB3 GLU 84 9.235 -8.963 0.080 644 HG2 GLU 84 HG2 GLU 84 11.917 -9.295 0.491 645 HG3 GLU 84 HG3 GLU 84 11.294 -10.215 1.852 646 H ILE 85 H ILE 85 9.575 -6.712 -1.189 647 HA ILE 85 HA ILE 85 7.335 -5.039 -0.282 648 HB ILE 85 HB ILE 85 8.065 -3.643 -2.365 649 HG12 ILE 85 HG12 ILE 85 10.045 -5.227 -2.855 650 HG13 ILE 85 HG13 ILE 85 10.263 -3.489 -2.972 651 HG21 ILE 85 HG21 ILE 85 9.349 -2.160 -0.833 652 HG22 ILE 85 HG22 ILE 85 7.791 -2.712 -0.194 653 HG23 ILE 85 HG23 ILE 85 9.297 -3.446 0.388 654 HD11 ILE 85 HD11 ILE 85 11.500 -3.377 -0.931 655 HD12 ILE 85 HD12 ILE 85 11.125 -5.035 -0.480 656 HD13 ILE 85 HD13 ILE 85 12.166 -4.708 -1.883 657 H PHE 86 H PHE 86 5.500 -5.231 -1.564 658 HA PHE 86 HA PHE 86 5.686 -6.803 -4.061 659 HB2 PHE 86 HB2 PHE 86 3.638 -7.218 -1.859 660 HB3 PHE 86 HB3 PHE 86 3.564 -7.969 -3.444 661 HD1 PHE 86 HD1 PHE 86 5.524 -7.827 -0.288 662 HD2 PHE 86 HD2 PHE 86 4.779 -9.944 -3.963 663 HE1 PHE 86 HE1 PHE 86 7.070 -9.672 0.420 664 HE2 PHE 86 HE2 PHE 86 6.206 -11.812 -3.186 665 HZ PHE 86 HZ PHE 86 7.375 -11.663 -0.994 666 H LEU 87 H LEU 87 3.580 -6.596 -5.305 667 HA LEU 87 HA LEU 87 2.363 -3.878 -5.129 668 HB2 LEU 87 HB2 LEU 87 2.995 -5.430 -7.667 669 HB3 LEU 87 HB3 LEU 87 2.393 -3.780 -7.556 670 HG LEU 87 HG LEU 87 5.161 -4.721 -6.678 671 HD11 LEU 87 HD11 LEU 87 4.306 -3.125 -9.132 672 HD12 LEU 87 HD12 LEU 87 4.885 -4.804 -9.103 673 HD13 LEU 87 HD13 LEU 87 5.986 -3.508 -8.649 674 HD21 LEU 87 HD21 LEU 87 4.363 -2.738 -5.390 675 HD22 LEU 87 HD22 LEU 87 4.064 -1.889 -6.918 676 HD23 LEU 87 HD23 LEU 87 5.718 -2.365 -6.454 677 H LEU 88 H LEU 88 0.210 -3.825 -6.260 678 HA LEU 88 HA LEU 88 -1.284 -6.430 -6.153 679 HB2 LEU 88 HB2 LEU 88 -1.486 -4.707 -4.170 680 HB3 LEU 88 HB3 LEU 88 -2.315 -3.692 -5.305 681 HG LEU 88 HG LEU 88 -3.663 -6.194 -5.517 682 HD11 LEU 88 HD11 LEU 88 -4.337 -6.520 -3.089 683 HD12 LEU 88 HD12 LEU 88 -2.907 -5.685 -2.648 684 HD13 LEU 88 HD13 LEU 88 -2.761 -7.164 -3.613 685 HD21 LEU 88 HD21 LEU 88 -5.530 -5.004 -4.477 686 HD22 LEU 88 HD22 LEU 88 -4.709 -3.988 -5.665 687 HD23 LEU 88 HD23 LEU 88 -4.430 -3.726 -3.921 688 H GLU 89 H GLU 89 -3.572 -5.967 -7.150 689 HA GLU 89 HA GLU 89 -3.505 -5.324 -9.875 690 HB2 GLU 89 HB2 GLU 89 -4.961 -6.989 -8.862 691 HB3 GLU 89 HB3 GLU 89 -5.781 -5.777 -7.884 692 HG2 GLU 89 HG2 GLU 89 -6.895 -4.856 -9.785 693 HG3 GLU 89 HG3 GLU 89 -5.750 -5.588 -10.911 694 H ASP 90 H ASP 90 -2.599 -3.350 -9.842 695 HA ASP 90 HA ASP 90 -2.302 -1.149 -10.010 696 HB2 ASP 90 HB2 ASP 90 -5.227 -1.370 -10.659 697 HB3 ASP 90 HB3 ASP 90 -4.388 0.193 -10.696 698 H GLY 91 H GLY 91 -3.884 -2.189 -7.319 699 HA2 GLY 91 HA2 GLY 91 -3.132 -1.287 -5.214 700 HA3 GLY 91 HA3 GLY 91 -3.315 0.342 -5.870 701 H ILE 92 H ILE 92 -5.008 1.326 -4.900 702 HA ILE 92 HA ILE 92 -7.078 -0.042 -3.564 703 HB ILE 92 HB ILE 92 -6.155 2.421 -3.471 704 HG12 ILE 92 HG12 ILE 92 -7.508 1.632 -1.740 705 HG13 ILE 92 HG13 ILE 92 -8.143 3.185 -2.249 706 HG21 ILE 92 HG21 ILE 92 -8.561 2.916 -5.245 707 HG22 ILE 92 HG22 ILE 92 -7.568 4.124 -4.419 708 HG23 ILE 92 HG23 ILE 92 -6.853 3.126 -5.695 709 HD11 ILE 92 HD11 ILE 92 -9.920 1.947 -3.556 710 HD12 ILE 92 HD12 ILE 92 -9.347 0.470 -2.735 711 HD13 ILE 92 HD13 ILE 92 -10.001 1.805 -1.785 712 H ASP 93 H ASP 93 -6.703 0.800 -6.907 713 HA ASP 93 HA ASP 93 -9.297 0.733 -7.910 714 HB2 ASP 93 HB2 ASP 93 -7.164 1.354 -9.117 715 HB3 ASP 93 HB3 ASP 93 -6.836 -0.368 -9.307 716 H GLY 94 H GLY 94 -7.326 -2.035 -6.817 717 HA2 GLY 94 HA2 GLY 94 -9.455 -3.914 -7.786 718 HA3 GLY 94 HA3 GLY 94 -7.783 -4.322 -7.488 719 H TRP 95 H TRP 95 -8.024 -2.559 -4.900 720 HA TRP 95 HA TRP 95 -8.370 -4.662 -3.086 721 HB2 TRP 95 HB2 TRP 95 -7.132 -2.544 -2.664 722 HB3 TRP 95 HB3 TRP 95 -8.658 -1.689 -2.549 723 HD1 TRP 95 HD1 TRP 95 -10.161 -2.118 -0.357 724 HE1 TRP 95 HE1 TRP 95 -9.651 -2.994 1.956 725 HE3 TRP 95 HE3 TRP 95 -5.551 -4.138 -1.306 726 HZ2 TRP 95 HZ2 TRP 95 -7.575 -4.654 3.214 727 HZ3 TRP 95 HZ3 TRP 95 -4.350 -5.396 0.451 728 HH2 TRP 95 HH2 TRP 95 -5.358 -5.706 2.706 729 H LYS 96 H LYS 96 -10.754 -2.055 -3.819 730 HA LYS 96 HA LYS 96 -12.754 -3.189 -2.045 731 HB2 LYS 96 HB2 LYS 96 -13.128 -1.257 -4.362 732 HB3 LYS 96 HB3 LYS 96 -14.312 -1.610 -3.105 733 HG2 LYS 96 HG2 LYS 96 -12.854 -0.690 -1.368 734 HG3 LYS 96 HG3 LYS 96 -11.559 -0.413 -2.534 735 HD2 LYS 96 HD2 LYS 96 -14.269 0.975 -2.563 736 HD3 LYS 96 HD3 LYS 96 -12.724 1.648 -1.999 737 HE2 LYS 96 HE2 LYS 96 -11.802 1.135 -4.344 738 HE3 LYS 96 HE3 LYS 96 -13.470 0.842 -4.841 739 HZ1 LYS 96 HZ1 LYS 96 -13.989 3.121 -4.180 740 HZ2 LYS 96 HZ2 LYS 96 -12.831 3.059 -5.310 741 HZ3 LYS 96 HZ3 LYS 96 -12.425 3.385 -3.730 742 H LYS 97 H LYS 97 -11.945 -3.540 -5.510 743 HA LYS 97 HA LYS 97 -14.301 -4.950 -6.272 744 HB2 LYS 97 HB2 LYS 97 -12.624 -3.923 -7.791 745 HB3 LYS 97 HB3 LYS 97 -11.476 -5.192 -7.376 746 HG2 LYS 97 HG2 LYS 97 -12.974 -6.894 -8.363 747 HG3 LYS 97 HG3 LYS 97 -14.178 -5.633 -8.725 748 HD2 LYS 97 HD2 LYS 97 -12.479 -4.442 -10.112 749 HD3 LYS 97 HD3 LYS 97 -11.318 -5.738 -9.799 750 HE2 LYS 97 HE2 LYS 97 -13.988 -6.110 -11.225 751 HE3 LYS 97 HE3 LYS 97 -12.441 -5.807 -12.032 752 HZ1 LYS 97 HZ1 LYS 97 -12.784 -8.119 -12.022 753 HZ2 LYS 97 HZ2 LYS 97 -13.136 -8.172 -10.413 754 HZ3 LYS 97 HZ3 LYS 97 -11.611 -7.854 -10.929 755 H ALA 98 H ALA 98 -11.320 -6.035 -4.655 756 HA ALA 98 HA ALA 98 -11.888 -8.840 -4.745 757 HB1 ALA 98 HB1 ALA 98 -10.271 -7.268 -2.717 758 HB2 ALA 98 HB2 ALA 98 -10.088 -8.989 -3.122 759 HB3 ALA 98 HB3 ALA 98 -9.679 -7.748 -4.328 760 H GLY 99 H GLY 99 -13.362 -6.340 -2.968 761 HA2 GLY 99 HA2 GLY 99 -15.231 -6.553 -1.591 762 HA3 GLY 99 HA3 GLY 99 -14.883 -8.260 -1.349 763 H LEU 100 H LEU 100 -12.047 -6.462 -0.776 764 HA LEU 100 HA LEU 100 -12.168 -7.060 2.044 765 HB2 LEU 100 HB2 LEU 100 -10.221 -5.423 0.399 766 HB3 LEU 100 HB3 LEU 100 -9.938 -5.882 2.061 767 HG LEU 100 HG LEU 100 -10.263 -7.833 -0.267 768 HD11 LEU 100 HD11 LEU 100 -8.191 -6.510 -0.250 769 HD12 LEU 100 HD12 LEU 100 -7.895 -8.237 0.007 770 HD13 LEU 100 HD13 LEU 100 -7.818 -7.095 1.373 771 HD21 LEU 100 HD21 LEU 100 -9.371 -9.463 1.557 772 HD22 LEU 100 HD22 LEU 100 -11.078 -9.021 1.594 773 HD23 LEU 100 HD23 LEU 100 -9.961 -8.253 2.725 774 HA PRO 101 HA PRO 101 -13.956 -3.350 3.575 775 HB2 PRO 101 HB2 PRO 101 -12.853 -3.048 6.059 776 HB3 PRO 101 HB3 PRO 101 -13.913 -4.425 5.632 777 HG2 PRO 101 HG2 PRO 101 -10.873 -4.355 5.620 778 HG3 PRO 101 HG3 PRO 101 -11.946 -5.559 6.407 779 HD2 PRO 101 HD2 PRO 101 -10.877 -5.995 3.935 780 HD3 PRO 101 HD3 PRO 101 -12.539 -6.528 4.333 781 H VAL 102 H VAL 102 -13.504 -1.151 4.511 782 HA VAL 102 HA VAL 102 -10.893 0.027 3.796 783 HB VAL 102 HB VAL 102 -12.313 1.994 2.880 784 HG11 VAL 102 HG11 VAL 102 -12.232 1.145 0.612 785 HG12 VAL 102 HG12 VAL 102 -10.773 0.683 1.504 786 HG13 VAL 102 HG13 VAL 102 -12.049 -0.527 1.203 787 HG21 VAL 102 HG21 VAL 102 -14.320 -0.194 2.303 788 HG22 VAL 102 HG22 VAL 102 -14.491 1.071 3.553 789 HG23 VAL 102 HG23 VAL 102 -14.389 1.521 1.844 790 H ALA 103 H ALA 103 -10.712 2.203 4.655 791 HA ALA 103 HA ALA 103 -11.852 2.481 7.354 792 HB1 ALA 103 HB1 ALA 103 -9.408 2.394 7.241 793 HB2 ALA 103 HB2 ALA 103 -9.392 3.677 6.005 794 HB3 ALA 103 HB3 ALA 103 -9.933 4.036 7.651 795 H VAL 104 H VAL 104 -13.809 3.011 6.223 796 HA VAL 104 HA VAL 104 -13.996 5.814 5.156 797 HB VAL 104 HB VAL 104 -16.256 5.069 4.311 798 HG11 VAL 104 HG11 VAL 104 -13.802 3.693 3.207 799 HG12 VAL 104 HG12 VAL 104 -15.396 3.658 2.412 800 HG13 VAL 104 HG13 VAL 104 -14.604 5.193 2.687 801 HG21 VAL 104 HG21 VAL 104 -15.304 2.292 5.113 802 HG22 VAL 104 HG22 VAL 104 -16.694 3.189 5.755 803 HG23 VAL 104 HG23 VAL 104 -16.702 2.643 4.075 804 H ASN 105 H ASN 105 -16.174 6.779 5.805 805 HA ASN 105 HA ASN 105 -16.803 6.179 8.690 806 HB2 ASN 105 HB2 ASN 105 -15.601 8.277 8.480 807 HB3 ASN 105 HB3 ASN 105 -16.725 8.810 7.228 808 HD21 ASN 105 HD21 ASN 105 -17.113 10.711 8.493 809 HD22 ASN 105 HD22 ASN 105 -18.158 10.666 9.896 810 H LYS 106 H LYS 106 -18.126 6.805 5.402 811 HA LYS 106 HA LYS 106 -20.638 5.715 6.321 812 HB2 LYS 106 HB2 LYS 106 -20.694 8.264 6.815 813 HB3 LYS 106 HB3 LYS 106 -20.620 8.506 5.069 814 HG2 LYS 106 HG2 LYS 106 -22.899 8.677 5.740 815 HG3 LYS 106 HG3 LYS 106 -22.750 7.142 4.879 816 HD2 LYS 106 HD2 LYS 106 -22.617 5.958 7.105 817 HD3 LYS 106 HD3 LYS 106 -22.748 7.520 7.914 818 HE2 LYS 106 HE2 LYS 106 -24.893 6.447 7.935 819 HE3 LYS 106 HE3 LYS 106 -24.984 7.863 6.881 820 HZ1 LYS 106 HZ1 LYS 106 -26.055 5.855 6.002 821 HZ2 LYS 106 HZ2 LYS 106 -24.606 5.092 5.902 822 HZ3 LYS 106 HZ3 LYS 106 -24.915 6.419 4.979 823 H SER 107 H SER 107 -21.677 4.669 4.651 824 HA SER 107 HA SER 107 -20.259 4.316 2.156 825 HB2 SER 107 HB2 SER 107 -23.103 3.498 2.865 826 HB3 SER 107 HB3 SER 107 -22.051 2.765 1.653 827 HG SER 107 HG SER 107 -22.089 1.481 3.510 828 H GLN 108 H GLN 108 -21.478 4.671 -0.035 829 HA GLN 108 HA GLN 108 -23.447 6.835 0.044 830 HB2 GLN 108 HB2 GLN 108 -21.037 7.812 -0.084 831 HB3 GLN 108 HB3 GLN 108 -20.946 7.048 -1.677 832 HG2 GLN 108 HG2 GLN 108 -21.539 9.355 -1.965 833 HG3 GLN 108 HG3 GLN 108 -22.949 8.384 -2.385 834 HE21 GLN 108 HE21 GLN 108 -24.876 8.609 -1.068 835 HE22 GLN 108 HE22 GLN 108 -24.930 9.776 0.266 Start of MODEL 11 1 H ALA 1 H ALA 1 12.581 -9.265 -3.201 2 HA ALA 1 HA ALA 1 12.216 -6.973 -4.004 3 HB1 ALA 1 HB1 ALA 1 13.742 -8.317 -5.343 4 HB2 ALA 1 HB2 ALA 1 12.381 -9.099 -6.184 5 HB3 ALA 1 HB3 ALA 1 12.717 -7.392 -6.452 6 H LEU 2 H LEU 2 11.002 -5.539 -5.503 7 HA LEU 2 HA LEU 2 8.278 -5.582 -5.275 8 HB2 LEU 2 HB2 LEU 2 10.143 -4.273 -7.274 9 HB3 LEU 2 HB3 LEU 2 8.408 -4.082 -7.398 10 HG LEU 2 HG LEU 2 8.925 -3.659 -4.664 11 HD11 LEU 2 HD11 LEU 2 10.536 -1.724 -4.716 12 HD12 LEU 2 HD12 LEU 2 11.070 -2.306 -6.304 13 HD13 LEU 2 HD13 LEU 2 11.224 -3.335 -4.870 14 HD21 LEU 2 HD21 LEU 2 8.458 -1.621 -6.856 15 HD22 LEU 2 HD22 LEU 2 8.255 -1.334 -5.108 16 HD23 LEU 2 HD23 LEU 2 7.234 -2.519 -5.934 17 H THR 3 H THR 3 6.967 -7.151 -5.734 18 HA THR 3 HA THR 3 6.747 -8.151 -8.510 19 HB THR 3 HB THR 3 6.695 -9.756 -5.912 20 HG1 THR 3 HG1 THR 3 8.742 -9.393 -6.196 21 HG21 THR 3 HG21 THR 3 5.285 -10.832 -7.483 22 HG22 THR 3 HG22 THR 3 6.805 -11.723 -7.463 23 HG23 THR 3 HG23 THR 3 6.468 -10.627 -8.818 24 H THR 4 H THR 4 4.498 -8.682 -9.041 25 HA THR 4 HA THR 4 2.555 -7.311 -7.310 26 HB THR 4 HB THR 4 2.173 -8.603 -10.039 27 HG1 THR 4 HG1 THR 4 2.468 -6.564 -10.876 28 HG21 THR 4 HG21 THR 4 0.621 -6.379 -8.632 29 HG22 THR 4 HG22 THR 4 0.060 -8.047 -8.871 30 HG23 THR 4 HG23 THR 4 0.306 -7.002 -10.269 31 H ILE 5 H ILE 5 0.720 -8.444 -6.430 32 HA ILE 5 HA ILE 5 0.782 -11.393 -6.623 33 HB ILE 5 HB ILE 5 0.417 -11.805 -4.401 34 HG12 ILE 5 HG12 ILE 5 -1.094 -10.137 -3.640 35 HG13 ILE 5 HG13 ILE 5 0.277 -10.237 -2.556 36 HG21 ILE 5 HG21 ILE 5 2.754 -11.473 -4.960 37 HG22 ILE 5 HG22 ILE 5 2.663 -9.763 -4.497 38 HG23 ILE 5 HG23 ILE 5 2.438 -11.031 -3.277 39 HD11 ILE 5 HD11 ILE 5 -0.330 -7.916 -2.860 40 HD12 ILE 5 HD12 ILE 5 1.242 -8.184 -3.649 41 HD13 ILE 5 HD13 ILE 5 -0.245 -8.094 -4.622 42 H SER 6 H SER 6 -1.487 -12.309 -5.872 43 HA SER 6 HA SER 6 -3.384 -11.031 -7.575 44 HB2 SER 6 HB2 SER 6 -3.881 -13.152 -5.468 45 HB3 SER 6 HB3 SER 6 -4.826 -12.861 -6.934 46 HG SER 6 HG SER 6 -2.577 -13.236 -7.971 47 HA PRO 7 HA PRO 7 -5.268 -8.047 -4.998 48 HB2 PRO 7 HB2 PRO 7 -8.015 -8.364 -5.305 49 HB3 PRO 7 HB3 PRO 7 -6.911 -7.534 -6.420 50 HG2 PRO 7 HG2 PRO 7 -7.931 -10.367 -6.537 51 HG3 PRO 7 HG3 PRO 7 -7.762 -9.180 -7.873 52 HD2 PRO 7 HD2 PRO 7 -5.959 -11.161 -7.473 53 HD3 PRO 7 HD3 PRO 7 -5.430 -9.545 -8.003 54 H HIS 8 H HIS 8 -7.110 -11.147 -4.354 55 HA HIS 8 HA HIS 8 -7.619 -10.270 -1.646 56 HB2 HIS 8 HB2 HIS 8 -8.929 -11.876 -3.216 57 HB3 HIS 8 HB3 HIS 8 -7.837 -13.103 -2.626 58 HD1 HIS 8 HD1 HIS 8 -7.833 -12.468 0.512 59 HD2 HIS 8 HD2 HIS 8 -11.172 -12.515 -2.082 60 HE1 HIS 8 HE1 HIS 8 -9.857 -12.979 1.943 61 H ASP 9 H ASP 9 -4.929 -11.848 -3.175 62 HA ASP 9 HA ASP 9 -3.851 -13.307 -0.951 63 HB2 ASP 9 HB2 ASP 9 -2.575 -12.163 -3.453 64 HB3 ASP 9 HB3 ASP 9 -1.673 -12.971 -2.198 65 H ALA 10 H ALA 10 -3.623 -9.945 -1.993 66 HA ALA 10 HA ALA 10 -1.499 -8.892 -0.502 67 HB1 ALA 10 HB1 ALA 10 -2.786 -6.800 -0.706 68 HB2 ALA 10 HB2 ALA 10 -3.006 -7.733 -2.181 69 HB3 ALA 10 HB3 ALA 10 -4.283 -7.685 -0.944 70 H GLN 11 H GLN 11 -4.854 -9.346 0.566 71 HA GLN 11 HA GLN 11 -4.619 -8.476 3.211 72 HB2 GLN 11 HB2 GLN 11 -6.680 -9.101 1.647 73 HB3 GLN 11 HB3 GLN 11 -6.503 -10.688 2.359 74 HG2 GLN 11 HG2 GLN 11 -6.330 -8.938 4.540 75 HG3 GLN 11 HG3 GLN 11 -7.541 -8.172 3.540 76 HE21 GLN 11 HE21 GLN 11 -7.908 -9.334 6.207 77 HE22 GLN 11 HE22 GLN 11 -8.918 -10.750 6.026 78 H GLU 12 H GLU 12 -4.277 -11.702 1.780 79 HA GLU 12 HA GLU 12 -4.083 -13.288 4.136 80 HB2 GLU 12 HB2 GLU 12 -4.452 -13.966 1.682 81 HB3 GLU 12 HB3 GLU 12 -2.722 -13.773 1.458 82 HG2 GLU 12 HG2 GLU 12 -3.224 -16.079 1.789 83 HG3 GLU 12 HG3 GLU 12 -2.238 -15.466 3.095 84 H LEU 13 H LEU 13 -1.628 -11.423 2.293 85 HA LEU 13 HA LEU 13 0.601 -12.491 3.773 86 HB2 LEU 13 HB2 LEU 13 0.292 -9.834 2.317 87 HB3 LEU 13 HB3 LEU 13 1.816 -10.479 2.912 88 HG LEU 13 HG LEU 13 0.091 -11.864 0.815 89 HD11 LEU 13 HD11 LEU 13 2.589 -10.162 0.467 90 HD12 LEU 13 HD12 LEU 13 0.942 -9.751 -0.055 91 HD13 LEU 13 HD13 LEU 13 1.788 -11.117 -0.803 92 HD21 LEU 13 HD21 LEU 13 2.925 -12.437 1.758 93 HD22 LEU 13 HD22 LEU 13 2.112 -13.208 0.382 94 HD23 LEU 13 HD23 LEU 13 1.508 -13.454 2.026 95 H ILE 14 H ILE 14 -1.331 -9.503 4.185 96 HA ILE 14 HA ILE 14 -0.031 -8.616 6.567 97 HB ILE 14 HB ILE 14 -2.795 -8.106 5.443 98 HG12 ILE 14 HG12 ILE 14 -0.693 -5.959 5.500 99 HG13 ILE 14 HG13 ILE 14 -0.336 -7.284 4.431 100 HG21 ILE 14 HG21 ILE 14 -1.370 -6.598 7.675 101 HG22 ILE 14 HG22 ILE 14 -2.834 -6.042 6.834 102 HG23 ILE 14 HG23 ILE 14 -2.898 -7.506 7.818 103 HD11 ILE 14 HD11 ILE 14 -2.550 -7.004 3.295 104 HD12 ILE 14 HD12 ILE 14 -2.933 -5.664 4.407 105 HD13 ILE 14 HD13 ILE 14 -1.574 -5.509 3.299 106 H ALA 15 H ALA 15 -2.825 -10.802 6.057 107 HA ALA 15 HA ALA 15 -3.571 -11.084 8.794 108 HB1 ALA 15 HB1 ALA 15 -3.835 -13.081 6.511 109 HB2 ALA 15 HB2 ALA 15 -4.737 -13.112 8.033 110 HB3 ALA 15 HB3 ALA 15 -5.005 -11.791 6.880 111 H ARG 16 H ARG 16 -1.035 -12.589 6.850 112 HA ARG 16 HA ARG 16 -0.383 -14.592 8.907 113 HB2 ARG 16 HB2 ARG 16 0.753 -13.934 6.151 114 HB3 ARG 16 HB3 ARG 16 1.412 -15.179 7.214 115 HG2 ARG 16 HG2 ARG 16 -0.641 -16.422 7.184 116 HG3 ARG 16 HG3 ARG 16 -1.546 -15.122 6.454 117 HD2 ARG 16 HD2 ARG 16 -0.387 -15.348 4.360 118 HD3 ARG 16 HD3 ARG 16 0.784 -16.460 5.049 119 HE ARG 16 HE ARG 16 -2.131 -16.979 4.555 120 HH11 ARG 16 HH11 ARG 16 1.028 -18.377 5.336 121 HH12 ARG 16 HH12 ARG 16 0.383 -19.969 5.613 122 HH21 ARG 16 HH21 ARG 16 -2.953 -18.988 4.785 123 HH22 ARG 16 HH22 ARG 16 -1.960 -20.340 5.232 124 H GLY 17 H GLY 17 0.654 -11.374 8.124 125 HA2 GLY 17 HA2 GLY 17 1.977 -10.679 10.310 126 HA3 GLY 17 HA3 GLY 17 3.195 -11.767 9.655 127 H ALA 18 H ALA 18 1.742 -10.175 7.010 128 HA ALA 18 HA ALA 18 4.126 -8.521 6.667 129 HB1 ALA 18 HB1 ALA 18 3.043 -9.823 4.801 130 HB2 ALA 18 HB2 ALA 18 1.660 -8.707 4.880 131 HB3 ALA 18 HB3 ALA 18 3.263 -8.108 4.442 132 H LYS 19 H LYS 19 3.627 -6.226 5.711 133 HA LYS 19 HA LYS 19 1.646 -4.813 7.437 134 HB2 LYS 19 HB2 LYS 19 4.447 -4.593 7.639 135 HB3 LYS 19 HB3 LYS 19 4.049 -3.273 6.567 136 HG2 LYS 19 HG2 LYS 19 4.197 -2.590 8.924 137 HG3 LYS 19 HG3 LYS 19 2.601 -2.252 8.242 138 HD2 LYS 19 HD2 LYS 19 1.605 -4.120 9.420 139 HD3 LYS 19 HD3 LYS 19 3.190 -4.769 9.872 140 HE2 LYS 19 HE2 LYS 19 3.590 -2.921 11.366 141 HE3 LYS 19 HE3 LYS 19 2.159 -2.049 10.780 142 HZ1 LYS 19 HZ1 LYS 19 0.743 -3.564 11.808 143 HZ2 LYS 19 HZ2 LYS 19 1.932 -3.376 12.930 144 HZ3 LYS 19 HZ3 LYS 19 1.879 -4.716 11.978 145 H LEU 20 H LEU 20 1.051 -2.558 6.527 146 HA LEU 20 HA LEU 20 1.159 -2.668 3.579 147 HB2 LEU 20 HB2 LEU 20 -0.996 -3.586 4.475 148 HB3 LEU 20 HB3 LEU 20 -1.327 -2.053 5.202 149 HG LEU 20 HG LEU 20 -1.449 -0.928 3.063 150 HD11 LEU 20 HD11 LEU 20 -0.456 -3.519 1.891 151 HD12 LEU 20 HD12 LEU 20 0.298 -1.916 1.781 152 HD13 LEU 20 HD13 LEU 20 -1.169 -2.204 0.942 153 HD21 LEU 20 HD21 LEU 20 -2.924 -3.571 2.719 154 HD22 LEU 20 HD22 LEU 20 -3.429 -1.962 2.178 155 HD23 LEU 20 HD23 LEU 20 -3.424 -2.359 3.903 156 H ILE 21 H ILE 21 1.850 -0.901 2.675 157 HA ILE 21 HA ILE 21 1.492 1.698 4.056 158 HB ILE 21 HB ILE 21 3.873 0.452 2.616 159 HG12 ILE 21 HG12 ILE 21 5.190 1.320 4.474 160 HG13 ILE 21 HG13 ILE 21 3.767 2.038 5.219 161 HG21 ILE 21 HG21 ILE 21 4.889 2.776 2.701 162 HG22 ILE 21 HG22 ILE 21 3.564 2.610 1.550 163 HG23 ILE 21 HG23 ILE 21 3.259 3.375 3.118 164 HD11 ILE 21 HD11 ILE 21 3.866 -0.947 4.757 165 HD12 ILE 21 HD12 ILE 21 4.752 -0.231 6.104 166 HD13 ILE 21 HD13 ILE 21 3.010 -0.007 6.016 167 H ASP 22 H ASP 22 0.595 3.261 2.773 168 HA ASP 22 HA ASP 22 -0.120 2.516 0.011 169 HB2 ASP 22 HB2 ASP 22 -2.139 3.489 0.257 170 HB3 ASP 22 HB3 ASP 22 -1.981 2.542 1.714 171 H ILE 23 H ILE 23 0.983 3.651 -1.404 172 HA ILE 23 HA ILE 23 2.417 6.075 -0.495 173 HB ILE 23 HB ILE 23 4.009 5.689 -2.264 174 HG12 ILE 23 HG12 ILE 23 2.550 3.041 -2.791 175 HG13 ILE 23 HG13 ILE 23 2.370 4.472 -3.804 176 HG21 ILE 23 HG21 ILE 23 4.267 4.606 0.030 177 HG22 ILE 23 HG22 ILE 23 3.712 3.088 -0.695 178 HG23 ILE 23 HG23 ILE 23 5.201 3.871 -1.271 179 HD11 ILE 23 HD11 ILE 23 4.839 4.434 -4.209 180 HD12 ILE 23 HD12 ILE 23 4.911 2.862 -3.373 181 HD13 ILE 23 HD13 ILE 23 3.949 3.025 -4.846 182 H ARG 24 H ARG 24 -0.444 6.279 -1.423 183 HA ARG 24 HA ARG 24 -0.200 7.656 -4.014 184 HB2 ARG 24 HB2 ARG 24 -2.508 7.731 -2.004 185 HB3 ARG 24 HB3 ARG 24 -2.534 8.141 -3.715 186 HG2 ARG 24 HG2 ARG 24 -3.502 6.154 -3.839 187 HG3 ARG 24 HG3 ARG 24 -1.823 5.694 -4.130 188 HD2 ARG 24 HD2 ARG 24 -3.253 4.146 -2.682 189 HD3 ARG 24 HD3 ARG 24 -1.698 4.640 -2.010 190 HE ARG 24 HE ARG 24 -2.718 5.712 -0.305 191 HH11 ARG 24 HH11 ARG 24 -5.446 5.330 -2.609 192 HH12 ARG 24 HH12 ARG 24 -6.571 5.206 -1.308 193 HH21 ARG 24 HH21 ARG 24 -4.136 5.984 1.175 194 HH22 ARG 24 HH22 ARG 24 -5.870 6.012 0.855 195 H ASP 25 H ASP 25 -1.944 9.918 -3.073 196 HA ASP 25 HA ASP 25 0.209 11.576 -1.855 197 HB2 ASP 25 HB2 ASP 25 -2.228 12.125 -3.552 198 HB3 ASP 25 HB3 ASP 25 -1.792 13.310 -2.316 199 H ALA 26 H ALA 26 -0.235 12.473 0.255 200 HA ALA 26 HA ALA 26 -1.838 10.876 1.982 201 HB1 ALA 26 HB1 ALA 26 -0.739 13.677 2.330 202 HB2 ALA 26 HB2 ALA 26 -1.614 12.810 3.610 203 HB3 ALA 26 HB3 ALA 26 -0.103 12.156 2.983 204 H ASP 27 H ASP 27 -2.635 13.608 0.003 205 HA ASP 27 HA ASP 27 -5.049 14.521 1.125 206 HB2 ASP 27 HB2 ASP 27 -3.953 14.457 -1.693 207 HB3 ASP 27 HB3 ASP 27 -5.519 15.171 -1.313 208 H GLU 28 H GLU 28 -4.410 11.506 -0.745 209 HA GLU 28 HA GLU 28 -7.220 11.059 -1.395 210 HB2 GLU 28 HB2 GLU 28 -4.673 9.374 -1.427 211 HB3 GLU 28 HB3 GLU 28 -6.253 8.675 -1.760 212 HG2 GLU 28 HG2 GLU 28 -5.244 11.118 -3.275 213 HG3 GLU 28 HG3 GLU 28 -4.862 9.471 -3.757 214 H TYR 29 H TYR 29 -4.855 9.928 1.001 215 HA TYR 29 HA TYR 29 -6.463 8.138 2.431 216 HB2 TYR 29 HB2 TYR 29 -4.115 8.051 2.721 217 HB3 TYR 29 HB3 TYR 29 -3.975 9.743 3.066 218 HD1 TYR 29 HD1 TYR 29 -4.849 10.683 5.289 219 HD2 TYR 29 HD2 TYR 29 -4.278 6.476 4.497 220 HE1 TYR 29 HE1 TYR 29 -4.605 10.243 7.710 221 HE2 TYR 29 HE2 TYR 29 -4.147 6.042 6.901 222 HH TYR 29 HH TYR 29 -3.583 8.541 9.173 223 H LEU 30 H LEU 30 -6.242 11.681 2.734 224 HA LEU 30 HA LEU 30 -7.672 11.950 5.170 225 HB2 LEU 30 HB2 LEU 30 -7.343 13.767 2.767 226 HB3 LEU 30 HB3 LEU 30 -8.610 14.117 3.924 227 HG LEU 30 HG LEU 30 -6.833 13.988 5.771 228 HD11 LEU 30 HD11 LEU 30 -4.544 14.597 5.093 229 HD12 LEU 30 HD12 LEU 30 -4.991 14.435 3.380 230 HD13 LEU 30 HD13 LEU 30 -4.986 13.016 4.452 231 HD21 LEU 30 HD21 LEU 30 -6.169 16.351 5.349 232 HD22 LEU 30 HD22 LEU 30 -7.892 16.038 5.172 233 HD23 LEU 30 HD23 LEU 30 -6.873 16.230 3.722 234 H ARG 31 H ARG 31 -8.918 11.299 1.870 235 HA ARG 31 HA ARG 31 -11.725 11.565 2.761 236 HB2 ARG 31 HB2 ARG 31 -10.478 10.550 0.148 237 HB3 ARG 31 HB3 ARG 31 -12.195 10.500 0.539 238 HG2 ARG 31 HG2 ARG 31 -11.894 13.082 0.982 239 HG3 ARG 31 HG3 ARG 31 -10.442 12.872 -0.036 240 HD2 ARG 31 HD2 ARG 31 -11.863 11.779 -1.776 241 HD3 ARG 31 HD3 ARG 31 -13.279 11.980 -0.728 242 HE ARG 31 HE ARG 31 -12.137 14.533 -1.207 243 HH11 ARG 31 HH11 ARG 31 -13.959 11.935 -2.828 244 HH12 ARG 31 HH12 ARG 31 -14.640 12.974 -4.040 245 HH21 ARG 31 HH21 ARG 31 -13.201 15.922 -2.731 246 HH22 ARG 31 HH22 ARG 31 -14.029 15.236 -4.110 247 H GLU 32 H GLU 32 -9.647 8.945 1.400 248 HA GLU 32 HA GLU 32 -10.710 7.095 3.385 249 HB2 GLU 32 HB2 GLU 32 -11.617 5.540 1.662 250 HB3 GLU 32 HB3 GLU 32 -12.501 7.034 1.876 251 HG2 GLU 32 HG2 GLU 32 -10.934 7.766 -0.258 252 HG3 GLU 32 HG3 GLU 32 -11.040 6.039 -0.533 253 H HIS 33 H HIS 33 -9.608 5.205 3.587 254 HA HIS 33 HA HIS 33 -7.406 4.465 1.801 255 HB2 HIS 33 HB2 HIS 33 -5.715 4.559 3.538 256 HB3 HIS 33 HB3 HIS 33 -6.394 6.147 3.285 257 HD1 HIS 33 HD1 HIS 33 -5.578 3.816 6.016 258 HD2 HIS 33 HD2 HIS 33 -8.205 7.038 5.274 259 HE1 HIS 33 HE1 HIS 33 -6.389 4.613 8.266 260 H ILE 34 H ILE 34 -6.319 2.666 3.908 261 HA ILE 34 HA ILE 34 -8.551 0.750 4.181 262 HB ILE 34 HB ILE 34 -5.646 0.260 3.453 263 HG12 ILE 34 HG12 ILE 34 -7.507 -0.972 1.630 264 HG13 ILE 34 HG13 ILE 34 -8.089 0.667 1.884 265 HG21 ILE 34 HG21 ILE 34 -6.154 -2.103 3.325 266 HG22 ILE 34 HG22 ILE 34 -6.449 -1.537 4.968 267 HG23 ILE 34 HG23 ILE 34 -7.824 -1.827 3.885 268 HD11 ILE 34 HD11 ILE 34 -5.882 1.552 1.271 269 HD12 ILE 34 HD12 ILE 34 -5.284 -0.120 1.076 270 HD13 ILE 34 HD13 ILE 34 -6.557 0.510 -0.009 271 HA PRO 35 HA PRO 35 -7.362 1.319 8.484 272 HB2 PRO 35 HB2 PRO 35 -8.418 -0.983 9.577 273 HB3 PRO 35 HB3 PRO 35 -9.406 0.422 9.068 274 HG2 PRO 35 HG2 PRO 35 -8.838 -2.138 7.540 275 HG3 PRO 35 HG3 PRO 35 -10.419 -1.313 7.773 276 HD2 PRO 35 HD2 PRO 35 -8.927 -1.061 5.537 277 HD3 PRO 35 HD3 PRO 35 -9.794 0.344 6.168 278 H GLU 36 H GLU 36 -6.631 -1.712 6.851 279 HA GLU 36 HA GLU 36 -4.776 -2.652 8.830 280 HB2 GLU 36 HB2 GLU 36 -5.236 -3.548 5.955 281 HB3 GLU 36 HB3 GLU 36 -4.246 -4.387 7.126 282 HG2 GLU 36 HG2 GLU 36 -7.191 -3.766 7.539 283 HG3 GLU 36 HG3 GLU 36 -6.575 -5.306 6.963 284 H ALA 37 H ALA 37 -4.445 0.004 6.852 285 HA ALA 37 HA ALA 37 -1.537 -0.388 6.451 286 HB1 ALA 37 HB1 ALA 37 -3.059 -0.162 4.361 287 HB2 ALA 37 HB2 ALA 37 -3.424 1.456 4.915 288 HB3 ALA 37 HB3 ALA 37 -1.749 1.044 4.495 289 H ASP 38 H ASP 38 -0.346 1.617 6.355 290 HA ASP 38 HA ASP 38 -1.219 3.382 8.633 291 HB2 ASP 38 HB2 ASP 38 0.981 2.452 8.944 292 HB3 ASP 38 HB3 ASP 38 1.555 3.196 7.439 293 H LEU 39 H LEU 39 0.695 4.048 5.761 294 HA LEU 39 HA LEU 39 -0.236 5.361 3.828 295 HB2 LEU 39 HB2 LEU 39 -1.833 6.739 4.998 296 HB3 LEU 39 HB3 LEU 39 -0.630 7.211 6.209 297 HG LEU 39 HG LEU 39 0.609 8.513 4.533 298 HD11 LEU 39 HD11 LEU 39 -0.469 9.153 2.406 299 HD12 LEU 39 HD12 LEU 39 -1.825 8.065 2.756 300 HD13 LEU 39 HD13 LEU 39 -0.228 7.406 2.437 301 HD21 LEU 39 HD21 LEU 39 -0.994 9.543 6.094 302 HD22 LEU 39 HD22 LEU 39 -2.207 9.480 4.801 303 HD23 LEU 39 HD23 LEU 39 -0.732 10.437 4.591 304 H ALA 40 H ALA 40 1.480 6.379 2.748 305 HA ALA 40 HA ALA 40 3.648 7.705 4.151 306 HB1 ALA 40 HB1 ALA 40 4.471 5.132 2.801 307 HB2 ALA 40 HB2 ALA 40 5.442 6.235 3.772 308 HB3 ALA 40 HB3 ALA 40 4.191 5.228 4.552 309 HA PRO 41 HA PRO 41 2.676 8.734 -0.237 310 HB2 PRO 41 HB2 PRO 41 3.014 11.483 -0.075 311 HB3 PRO 41 HB3 PRO 41 1.489 10.634 0.339 312 HG2 PRO 41 HG2 PRO 41 3.674 11.547 2.189 313 HG3 PRO 41 HG3 PRO 41 1.923 11.754 2.393 314 HD2 PRO 41 HD2 PRO 41 3.297 9.768 3.642 315 HD3 PRO 41 HD3 PRO 41 1.662 9.461 3.010 316 H LEU 42 H LEU 42 4.096 9.059 -1.899 317 HA LEU 42 HA LEU 42 6.787 8.550 -1.473 318 HB2 LEU 42 HB2 LEU 42 5.180 8.602 -3.614 319 HB3 LEU 42 HB3 LEU 42 6.068 10.082 -3.926 320 HG LEU 42 HG LEU 42 7.490 8.835 -5.057 321 HD11 LEU 42 HD11 LEU 42 8.433 7.521 -2.480 322 HD12 LEU 42 HD12 LEU 42 8.912 9.138 -3.060 323 HD13 LEU 42 HD13 LEU 42 9.318 7.708 -3.997 324 HD21 LEU 42 HD21 LEU 42 7.529 6.338 -4.949 325 HD22 LEU 42 HD22 LEU 42 5.917 7.014 -5.166 326 HD23 LEU 42 HD23 LEU 42 6.405 6.417 -3.559 327 H SER 43 H SER 43 5.135 11.702 -1.541 328 HA SER 43 HA SER 43 7.452 13.332 -1.819 329 HB2 SER 43 HB2 SER 43 5.067 14.034 -2.098 330 HB3 SER 43 HB3 SER 43 4.865 13.988 -0.343 331 HG SER 43 HG SER 43 6.932 15.519 -1.529 332 H VAL 44 H VAL 44 6.273 11.493 1.005 333 HA VAL 44 HA VAL 44 8.037 13.075 2.814 334 HB VAL 44 HB VAL 44 6.051 10.816 3.268 335 HG11 VAL 44 HG11 VAL 44 6.414 11.191 5.701 336 HG12 VAL 44 HG12 VAL 44 7.842 10.517 4.919 337 HG13 VAL 44 HG13 VAL 44 7.792 12.251 5.320 338 HG21 VAL 44 HG21 VAL 44 5.129 13.127 2.833 339 HG22 VAL 44 HG22 VAL 44 4.782 12.544 4.463 340 HG23 VAL 44 HG23 VAL 44 6.078 13.729 4.192 341 H LEU 45 H LEU 45 7.741 9.946 1.215 342 HA LEU 45 HA LEU 45 9.947 8.614 2.415 343 HB2 LEU 45 HB2 LEU 45 8.567 8.394 -0.279 344 HB3 LEU 45 HB3 LEU 45 9.805 7.286 0.234 345 HG LEU 45 HG LEU 45 7.161 7.811 1.714 346 HD11 LEU 45 HD11 LEU 45 8.060 5.528 -0.063 347 HD12 LEU 45 HD12 LEU 45 6.800 6.744 -0.392 348 HD13 LEU 45 HD13 LEU 45 6.529 5.589 0.894 349 HD21 LEU 45 HD21 LEU 45 9.391 5.821 2.294 350 HD22 LEU 45 HD22 LEU 45 7.738 5.731 2.993 351 HD23 LEU 45 HD23 LEU 45 8.750 7.105 3.350 352 H GLU 46 H GLU 46 9.744 10.306 -0.690 353 HA GLU 46 HA GLU 46 12.465 10.130 -1.427 354 HB2 GLU 46 HB2 GLU 46 10.219 12.034 -2.072 355 HB3 GLU 46 HB3 GLU 46 11.839 12.492 -2.546 356 HG2 GLU 46 HG2 GLU 46 11.185 9.655 -3.184 357 HG3 GLU 46 HG3 GLU 46 10.177 10.807 -4.016 358 H GLN 47 H GLN 47 10.995 12.197 1.015 359 HA GLN 47 HA GLN 47 13.432 13.858 1.304 360 HB2 GLN 47 HB2 GLN 47 10.704 13.899 2.667 361 HB3 GLN 47 HB3 GLN 47 12.067 14.907 3.154 362 HG2 GLN 47 HG2 GLN 47 12.087 15.981 0.926 363 HG3 GLN 47 HG3 GLN 47 10.703 14.983 0.441 364 HE21 GLN 47 HE21 GLN 47 8.630 15.466 1.354 365 HE22 GLN 47 HE22 GLN 47 8.315 16.793 2.467 366 H SER 48 H SER 48 11.363 12.415 3.760 367 HA SER 48 HA SER 48 13.505 11.855 5.573 368 HB2 SER 48 HB2 SER 48 11.192 12.762 6.067 369 HB3 SER 48 HB3 SER 48 10.556 11.137 5.734 370 HG SER 48 HG SER 48 11.055 11.619 7.984 371 H GLY 49 H GLY 49 11.486 9.743 3.441 372 HA2 GLY 49 HA2 GLY 49 12.074 7.544 2.847 373 HA3 GLY 49 HA3 GLY 49 13.285 7.524 4.132 374 H LEU 50 H LEU 50 11.804 5.312 3.935 375 HA LEU 50 HA LEU 50 9.326 5.306 5.303 376 HB2 LEU 50 HB2 LEU 50 10.240 3.493 3.809 377 HB3 LEU 50 HB3 LEU 50 11.381 3.072 5.089 378 HG LEU 50 HG LEU 50 9.290 2.700 6.578 379 HD11 LEU 50 HD11 LEU 50 7.633 3.837 4.996 380 HD12 LEU 50 HD12 LEU 50 7.203 2.178 5.458 381 HD13 LEU 50 HD13 LEU 50 7.902 2.488 3.877 382 HD21 LEU 50 HD21 LEU 50 9.777 0.932 4.132 383 HD22 LEU 50 HD22 LEU 50 8.945 0.425 5.600 384 HD23 LEU 50 HD23 LEU 50 10.661 0.856 5.664 385 HA PRO 51 HA PRO 51 10.968 5.867 9.455 386 HB2 PRO 51 HB2 PRO 51 8.747 5.270 10.959 387 HB3 PRO 51 HB3 PRO 51 8.882 6.772 9.991 388 HG2 PRO 51 HG2 PRO 51 7.486 4.205 9.325 389 HG3 PRO 51 HG3 PRO 51 6.882 5.877 9.088 390 HD2 PRO 51 HD2 PRO 51 8.004 4.363 7.100 391 HD3 PRO 51 HD3 PRO 51 8.178 6.124 7.127 392 H ALA 52 H ALA 52 11.551 4.674 11.321 393 HA ALA 52 HA ALA 52 12.134 1.945 10.993 394 HB1 ALA 52 HB1 ALA 52 12.918 2.120 13.330 395 HB2 ALA 52 HB2 ALA 52 13.471 3.472 12.343 396 HB3 ALA 52 HB3 ALA 52 12.119 3.700 13.485 397 H LYS 53 H LYS 53 9.096 3.077 11.555 398 HA LYS 53 HA LYS 53 8.127 0.924 13.357 399 HB2 LYS 53 HB2 LYS 53 6.735 3.394 12.180 400 HB3 LYS 53 HB3 LYS 53 6.070 2.326 13.411 401 HG2 LYS 53 HG2 LYS 53 8.502 4.128 13.710 402 HG3 LYS 53 HG3 LYS 53 6.892 4.421 14.386 403 HD2 LYS 53 HD2 LYS 53 7.065 2.265 15.647 404 HD3 LYS 53 HD3 LYS 53 8.733 2.092 15.070 405 HE2 LYS 53 HE2 LYS 53 7.758 4.500 16.649 406 HE3 LYS 53 HE3 LYS 53 8.385 3.037 17.422 407 HZ1 LYS 53 HZ1 LYS 53 10.437 3.343 16.154 408 HZ2 LYS 53 HZ2 LYS 53 10.139 4.552 17.225 409 HZ3 LYS 53 HZ3 LYS 53 9.907 4.819 15.622 410 H LEU 54 H LEU 54 8.089 2.018 10.041 411 HA LEU 54 HA LEU 54 5.920 0.027 9.392 412 HB2 LEU 54 HB2 LEU 54 7.079 2.330 7.806 413 HB3 LEU 54 HB3 LEU 54 5.788 1.284 7.239 414 HG LEU 54 HG LEU 54 5.598 3.117 9.645 415 HD11 LEU 54 HD11 LEU 54 4.079 3.433 7.048 416 HD12 LEU 54 HD12 LEU 54 5.721 4.076 7.193 417 HD13 LEU 54 HD13 LEU 54 4.472 4.622 8.300 418 HD21 LEU 54 HD21 LEU 54 3.429 1.437 8.327 419 HD22 LEU 54 HD22 LEU 54 3.221 2.622 9.643 420 HD23 LEU 54 HD23 LEU 54 4.142 1.157 9.933 421 H ARG 55 H ARG 55 9.171 -0.079 9.525 422 HA ARG 55 HA ARG 55 9.705 -1.264 6.904 423 HB2 ARG 55 HB2 ARG 55 12.000 -1.267 7.570 424 HB3 ARG 55 HB3 ARG 55 11.343 0.312 7.975 425 HG2 ARG 55 HG2 ARG 55 11.442 -0.001 10.254 426 HG3 ARG 55 HG3 ARG 55 11.357 -1.757 10.162 427 HD2 ARG 55 HD2 ARG 55 13.577 -1.102 10.777 428 HD3 ARG 55 HD3 ARG 55 13.558 -1.907 9.195 429 HE ARG 55 HE ARG 55 13.385 0.927 8.875 430 HH11 ARG 55 HH11 ARG 55 15.687 -1.715 9.426 431 HH12 ARG 55 HH12 ARG 55 17.082 -0.780 8.998 432 HH21 ARG 55 HH21 ARG 55 15.163 2.146 8.333 433 HH22 ARG 55 HH22 ARG 55 16.785 1.454 8.399 434 H HIS 56 H HIS 56 7.850 -2.714 8.461 435 HA HIS 56 HA HIS 56 9.158 -4.858 9.794 436 HB2 HIS 56 HB2 HIS 56 6.603 -4.316 9.804 437 HB3 HIS 56 HB3 HIS 56 6.538 -5.407 8.413 438 HD1 HIS 56 HD1 HIS 56 9.076 -6.452 11.084 439 HD2 HIS 56 HD2 HIS 56 4.978 -6.989 10.150 440 HE1 HIS 56 HE1 HIS 56 8.321 -8.513 12.309 441 H GLU 57 H GLU 57 9.437 -7.115 9.067 442 HA GLU 57 HA GLU 57 11.167 -7.347 6.987 443 HB2 GLU 57 HB2 GLU 57 9.385 -9.564 8.038 444 HB3 GLU 57 HB3 GLU 57 10.915 -9.775 7.183 445 HG2 GLU 57 HG2 GLU 57 10.496 -8.584 9.946 446 HG3 GLU 57 HG3 GLU 57 11.307 -10.088 9.540 447 H GLN 58 H GLN 58 7.625 -7.552 6.558 448 HA GLN 58 HA GLN 58 8.113 -7.589 3.665 449 HB2 GLN 58 HB2 GLN 58 6.066 -9.526 4.825 450 HB3 GLN 58 HB3 GLN 58 6.684 -9.383 3.167 451 HG2 GLN 58 HG2 GLN 58 8.916 -10.087 3.992 452 HG3 GLN 58 HG3 GLN 58 8.216 -10.399 5.591 453 HE21 GLN 58 HE21 GLN 58 9.591 -12.302 4.530 454 HE22 GLN 58 HE22 GLN 58 8.606 -13.558 3.760 455 H ILE 59 H ILE 59 6.969 -6.033 2.766 456 HA ILE 59 HA ILE 59 4.396 -5.352 3.984 457 HB ILE 59 HB ILE 59 4.803 -3.160 4.309 458 HG12 ILE 59 HG12 ILE 59 7.206 -3.302 2.488 459 HG13 ILE 59 HG13 ILE 59 5.696 -2.443 2.220 460 HG21 ILE 59 HG21 ILE 59 6.664 -2.897 5.830 461 HG22 ILE 59 HG22 ILE 59 6.077 -4.540 5.978 462 HG23 ILE 59 HG23 ILE 59 7.543 -4.214 5.050 463 HD11 ILE 59 HD11 ILE 59 7.427 -0.855 2.798 464 HD12 ILE 59 HD12 ILE 59 6.204 -0.914 4.089 465 HD13 ILE 59 HD13 ILE 59 7.787 -1.696 4.300 466 H ILE 60 H ILE 60 3.139 -3.904 2.497 467 HA ILE 60 HA ILE 60 3.792 -4.465 -0.364 468 HB ILE 60 HB ILE 60 1.148 -4.743 1.096 469 HG12 ILE 60 HG12 ILE 60 1.858 -7.136 -0.359 470 HG13 ILE 60 HG13 ILE 60 3.257 -6.688 0.564 471 HG21 ILE 60 HG21 ILE 60 0.737 -3.887 -1.093 472 HG22 ILE 60 HG22 ILE 60 1.766 -5.146 -1.852 473 HG23 ILE 60 HG23 ILE 60 0.262 -5.590 -1.050 474 HD11 ILE 60 HD11 ILE 60 1.964 -8.147 1.915 475 HD12 ILE 60 HD12 ILE 60 1.747 -6.536 2.619 476 HD13 ILE 60 HD13 ILE 60 0.467 -7.250 1.599 477 H PHE 61 H PHE 61 3.189 -2.783 -1.804 478 HA PHE 61 HA PHE 61 2.790 -0.082 -0.585 479 HB2 PHE 61 HB2 PHE 61 4.507 -1.093 -2.885 480 HB3 PHE 61 HB3 PHE 61 4.080 0.591 -2.771 481 HD1 PHE 61 HD1 PHE 61 4.341 0.661 0.446 482 HD2 PHE 61 HD2 PHE 61 6.880 -0.627 -2.820 483 HE1 PHE 61 HE1 PHE 61 6.324 1.064 1.819 484 HE2 PHE 61 HE2 PHE 61 8.874 -0.120 -1.425 485 HZ PHE 61 HZ PHE 61 8.571 0.701 0.899 486 H HIS 62 H HIS 62 0.529 0.005 -0.842 487 HA HIS 62 HA HIS 62 -0.637 -0.524 -3.482 488 HB2 HIS 62 HB2 HIS 62 -1.773 0.617 -0.904 489 HB3 HIS 62 HB3 HIS 62 -2.717 0.364 -2.368 490 HD1 HIS 62 HD1 HIS 62 -0.636 -2.584 -2.459 491 HD2 HIS 62 HD2 HIS 62 -3.856 -1.286 -0.054 492 HE1 HIS 62 HE1 HIS 62 -1.702 -4.641 -1.484 493 H CYS 63 H CYS 63 -1.614 0.954 -4.897 494 HA CYS 63 HA CYS 63 -0.924 3.821 -4.595 495 HB2 CYS 63 HB2 CYS 63 -0.556 2.042 -7.024 496 HB3 CYS 63 HB3 CYS 63 -0.796 3.789 -7.154 497 HG CYS 63 HG CYS 63 1.422 2.385 -5.186 498 H GLN 64 H GLN 64 -2.272 5.062 -6.347 499 HA GLN 64 HA GLN 64 -4.994 4.812 -5.633 500 HB2 GLN 64 HB2 GLN 64 -3.899 6.922 -6.143 501 HB3 GLN 64 HB3 GLN 64 -3.602 6.411 -7.815 502 HG2 GLN 64 HG2 GLN 64 -6.050 6.395 -8.239 503 HG3 GLN 64 HG3 GLN 64 -6.328 6.904 -6.570 504 HE21 GLN 64 HE21 GLN 64 -5.036 7.942 -9.736 505 HE22 GLN 64 HE22 GLN 64 -4.931 9.631 -9.288 506 H ALA 65 H ALA 65 -3.624 4.497 -9.079 507 HA ALA 65 HA ALA 65 -4.980 2.183 -9.692 508 HB1 ALA 65 HB1 ALA 65 -6.642 3.196 -11.222 509 HB2 ALA 65 HB2 ALA 65 -7.048 3.492 -9.542 510 HB3 ALA 65 HB3 ALA 65 -6.311 4.794 -10.528 511 H GLY 66 H GLY 66 -3.597 1.607 -11.103 512 HA2 GLY 66 HA2 GLY 66 -2.800 1.699 -13.438 513 HA3 GLY 66 HA3 GLY 66 -2.515 3.431 -13.241 514 H LYS 67 H LYS 67 -0.517 2.575 -14.245 515 HA LYS 67 HA LYS 67 1.460 1.063 -13.006 516 HB2 LYS 67 HB2 LYS 67 1.763 3.212 -15.138 517 HB3 LYS 67 HB3 LYS 67 3.025 2.075 -14.630 518 HG2 LYS 67 HG2 LYS 67 1.068 0.291 -15.018 519 HG3 LYS 67 HG3 LYS 67 0.502 1.516 -16.155 520 HD2 LYS 67 HD2 LYS 67 3.249 0.181 -16.130 521 HD3 LYS 67 HD3 LYS 67 1.877 -0.271 -17.153 522 HE2 LYS 67 HE2 LYS 67 1.911 1.997 -18.183 523 HE3 LYS 67 HE3 LYS 67 3.376 2.374 -17.252 524 HZ1 LYS 67 HZ1 LYS 67 3.867 1.593 -19.490 525 HZ2 LYS 67 HZ2 LYS 67 3.139 0.143 -19.185 526 HZ3 LYS 67 HZ3 LYS 67 4.495 0.580 -18.377 527 H ARG 68 H ARG 68 0.388 3.460 -11.306 528 HA ARG 68 HA ARG 68 2.734 5.052 -10.681 529 HB2 ARG 68 HB2 ARG 68 0.234 4.356 -9.064 530 HB3 ARG 68 HB3 ARG 68 1.539 5.384 -8.472 531 HG2 ARG 68 HG2 ARG 68 -0.058 6.903 -9.238 532 HG3 ARG 68 HG3 ARG 68 1.160 6.876 -10.510 533 HD2 ARG 68 HD2 ARG 68 -0.341 5.370 -11.856 534 HD3 ARG 68 HD3 ARG 68 -1.503 5.368 -10.523 535 HE ARG 68 HE ARG 68 -2.269 7.400 -11.189 536 HH11 ARG 68 HH11 ARG 68 0.836 6.804 -12.962 537 HH12 ARG 68 HH12 ARG 68 0.519 8.155 -13.996 538 HH21 ARG 68 HH21 ARG 68 -2.273 9.411 -12.381 539 HH22 ARG 68 HH22 ARG 68 -0.960 9.773 -13.446 540 H THR 69 H THR 69 1.492 1.786 -9.676 541 HA THR 69 HA THR 69 3.631 1.472 -7.751 542 HB THR 69 HB THR 69 2.680 -1.067 -8.330 543 HG1 THR 69 HG1 THR 69 1.016 -0.510 -9.708 544 HG21 THR 69 HG21 THR 69 2.754 0.266 -6.100 545 HG22 THR 69 HG22 THR 69 1.516 -0.990 -6.323 546 HG23 THR 69 HG23 THR 69 1.087 0.698 -6.488 547 H SER 70 H SER 70 5.385 0.052 -8.003 548 HA SER 70 HA SER 70 7.166 -0.930 -8.923 549 HB2 SER 70 HB2 SER 70 5.783 -1.180 -11.581 550 HB3 SER 70 HB3 SER 70 7.097 -2.156 -10.916 551 HG SER 70 HG SER 70 5.249 -3.341 -10.659 552 H ASN 71 H ASN 71 5.725 1.635 -10.849 553 HA ASN 71 HA ASN 71 7.944 2.274 -12.494 554 HB2 ASN 71 HB2 ASN 71 5.534 3.780 -11.554 555 HB3 ASN 71 HB3 ASN 71 6.856 4.724 -12.200 556 HD21 ASN 71 HD21 ASN 71 5.490 5.356 -13.960 557 HD22 ASN 71 HD22 ASN 71 5.390 4.282 -15.363 558 H ASN 72 H ASN 72 7.774 2.771 -9.085 559 HA ASN 72 HA ASN 72 10.203 4.521 -9.194 560 HB2 ASN 72 HB2 ASN 72 8.015 4.390 -7.089 561 HB3 ASN 72 HB3 ASN 72 9.567 5.164 -6.836 562 HD21 ASN 72 HD21 ASN 72 9.659 7.352 -7.234 563 HD22 ASN 72 HD22 ASN 72 8.521 8.189 -8.258 564 H ALA 73 H ALA 73 9.498 1.367 -9.006 565 HA ALA 73 HA ALA 73 10.300 0.062 -6.796 566 HB1 ALA 73 HB1 ALA 73 11.305 -1.629 -8.406 567 HB2 ALA 73 HB2 ALA 73 9.652 -1.137 -8.790 568 HB3 ALA 73 HB3 ALA 73 11.025 -0.467 -9.702 569 H ASP 74 H ASP 74 12.389 1.566 -9.142 570 HA ASP 74 HA ASP 74 14.930 0.849 -8.661 571 HB2 ASP 74 HB2 ASP 74 13.843 2.493 -10.307 572 HB3 ASP 74 HB3 ASP 74 13.935 3.699 -9.062 573 H LYS 75 H LYS 75 13.173 3.326 -6.836 574 HA LYS 75 HA LYS 75 15.320 3.246 -4.737 575 HB2 LYS 75 HB2 LYS 75 13.161 5.351 -4.665 576 HB3 LYS 75 HB3 LYS 75 14.756 5.326 -3.937 577 HG2 LYS 75 HG2 LYS 75 15.121 6.806 -5.639 578 HG3 LYS 75 HG3 LYS 75 15.640 5.312 -6.415 579 HD2 LYS 75 HD2 LYS 75 14.047 5.524 -8.003 580 HD3 LYS 75 HD3 LYS 75 12.765 5.555 -6.790 581 HE2 LYS 75 HE2 LYS 75 12.698 7.642 -8.120 582 HE3 LYS 75 HE3 LYS 75 13.275 8.053 -6.499 583 HZ1 LYS 75 HZ1 LYS 75 14.623 9.108 -8.169 584 HZ2 LYS 75 HZ2 LYS 75 14.976 7.655 -8.881 585 HZ3 LYS 75 HZ3 LYS 75 15.551 8.022 -7.394 586 H LEU 76 H LEU 76 11.830 3.003 -5.290 587 HA LEU 76 HA LEU 76 10.927 2.784 -2.636 588 HB2 LEU 76 HB2 LEU 76 10.012 1.129 -4.993 589 HB3 LEU 76 HB3 LEU 76 9.274 0.996 -3.416 590 HG LEU 76 HG LEU 76 9.259 3.490 -5.146 591 HD11 LEU 76 HD11 LEU 76 7.106 1.483 -4.338 592 HD12 LEU 76 HD12 LEU 76 7.868 1.593 -5.948 593 HD13 LEU 76 HD13 LEU 76 6.846 2.920 -5.359 594 HD21 LEU 76 HD21 LEU 76 9.133 4.165 -2.792 595 HD22 LEU 76 HD22 LEU 76 7.867 2.951 -2.491 596 HD23 LEU 76 HD23 LEU 76 7.553 4.334 -3.558 597 H ALA 77 H ALA 77 12.562 0.226 -4.505 598 HA ALA 77 HA ALA 77 12.319 -1.913 -2.608 599 HB1 ALA 77 HB1 ALA 77 14.635 -1.275 -4.524 600 HB2 ALA 77 HB2 ALA 77 14.293 -2.836 -3.750 601 HB3 ALA 77 HB3 ALA 77 13.190 -2.169 -4.965 602 H ALA 78 H ALA 78 14.995 0.461 -3.133 603 HA ALA 78 HA ALA 78 16.614 -0.301 -0.932 604 HB1 ALA 78 HB1 ALA 78 17.791 1.796 -1.350 605 HB2 ALA 78 HB2 ALA 78 17.374 1.044 -2.904 606 HB3 ALA 78 HB3 ALA 78 16.434 2.424 -2.300 607 H ILE 79 H ILE 79 14.029 2.138 -1.164 608 HA ILE 79 HA ILE 79 14.419 3.417 1.329 609 HB ILE 79 HB ILE 79 12.032 3.016 -0.472 610 HG12 ILE 79 HG12 ILE 79 13.491 5.584 0.184 611 HG13 ILE 79 HG13 ILE 79 13.969 4.544 -1.163 612 HG21 ILE 79 HG21 ILE 79 11.072 3.326 1.754 613 HG22 ILE 79 HG22 ILE 79 12.129 4.730 2.052 614 HG23 ILE 79 HG23 ILE 79 10.834 4.792 0.828 615 HD11 ILE 79 HD11 ILE 79 11.410 6.165 -0.867 616 HD12 ILE 79 HD12 ILE 79 12.615 6.225 -2.141 617 HD13 ILE 79 HD13 ILE 79 11.548 4.823 -2.028 618 H ALA 80 H ALA 80 12.757 0.388 0.490 619 HA ALA 80 HA ALA 80 11.765 0.020 3.257 620 HB1 ALA 80 HB1 ALA 80 10.717 -2.009 2.183 621 HB2 ALA 80 HB2 ALA 80 10.276 -0.478 1.406 622 HB3 ALA 80 HB3 ALA 80 11.484 -1.540 0.660 623 H ALA 81 H ALA 81 14.154 -1.435 1.029 624 HA ALA 81 HA ALA 81 14.645 -3.782 2.415 625 HB1 ALA 81 HB1 ALA 81 15.448 -3.394 0.147 626 HB2 ALA 81 HB2 ALA 81 16.537 -2.108 0.724 627 HB3 ALA 81 HB3 ALA 81 16.824 -3.793 1.191 628 HA PRO 82 HA PRO 82 16.434 -5.212 3.106 629 HB2 PRO 82 HB2 PRO 82 17.002 -6.452 5.465 630 HB3 PRO 82 HB3 PRO 82 18.251 -5.633 4.462 631 HG2 PRO 82 HG2 PRO 82 16.807 -4.532 6.893 632 HG3 PRO 82 HG3 PRO 82 18.567 -4.523 6.558 633 HD2 PRO 82 HD2 PRO 82 16.980 -2.372 5.993 634 HD3 PRO 82 HD3 PRO 82 18.353 -2.837 4.937 635 H ALA 83 H ALA 83 14.409 -6.010 2.764 636 HA ALA 83 HA ALA 83 12.668 -7.251 4.321 637 HB1 ALA 83 HB1 ALA 83 10.794 -5.665 4.618 638 HB2 ALA 83 HB2 ALA 83 12.125 -5.331 5.691 639 HB3 ALA 83 HB3 ALA 83 11.903 -4.319 4.238 640 H GLU 84 H GLU 84 10.567 -7.472 3.159 641 HA GLU 84 HA GLU 84 10.987 -7.383 0.225 642 HB2 GLU 84 HB2 GLU 84 9.353 -9.045 2.132 643 HB3 GLU 84 HB3 GLU 84 8.852 -8.926 0.463 644 HG2 GLU 84 HG2 GLU 84 10.312 -10.909 0.969 645 HG3 GLU 84 HG3 GLU 84 10.817 -9.903 -0.383 646 H ILE 85 H ILE 85 9.543 -6.536 -1.215 647 HA ILE 85 HA ILE 85 7.323 -4.927 -0.206 648 HB ILE 85 HB ILE 85 7.985 -3.283 -2.048 649 HG12 ILE 85 HG12 ILE 85 9.932 -4.759 -2.878 650 HG13 ILE 85 HG13 ILE 85 10.158 -3.021 -2.705 651 HG21 ILE 85 HG21 ILE 85 9.354 -2.062 -0.352 652 HG22 ILE 85 HG22 ILE 85 7.830 -2.736 0.264 653 HG23 ILE 85 HG23 ILE 85 9.379 -3.520 0.642 654 HD11 ILE 85 HD11 ILE 85 11.110 -4.955 -0.584 655 HD12 ILE 85 HD12 ILE 85 12.102 -4.424 -1.955 656 HD13 ILE 85 HD13 ILE 85 11.504 -3.251 -0.767 657 H PHE 86 H PHE 86 5.460 -4.961 -1.520 658 HA PHE 86 HA PHE 86 5.610 -6.375 -4.155 659 HB2 PHE 86 HB2 PHE 86 3.617 -7.016 -1.953 660 HB3 PHE 86 HB3 PHE 86 3.586 -7.664 -3.576 661 HD1 PHE 86 HD1 PHE 86 5.215 -7.844 -0.294 662 HD2 PHE 86 HD2 PHE 86 5.193 -9.403 -4.330 663 HE1 PHE 86 HE1 PHE 86 6.653 -9.719 0.421 664 HE2 PHE 86 HE2 PHE 86 6.679 -11.247 -3.611 665 HZ PHE 86 HZ PHE 86 7.415 -11.420 -1.245 666 H LEU 87 H LEU 87 3.670 -6.076 -5.550 667 HA LEU 87 HA LEU 87 2.330 -3.485 -5.146 668 HB2 LEU 87 HB2 LEU 87 2.907 -5.042 -7.671 669 HB3 LEU 87 HB3 LEU 87 2.082 -3.498 -7.541 670 HG LEU 87 HG LEU 87 4.015 -2.784 -8.117 671 HD11 LEU 87 HD11 LEU 87 3.590 -1.800 -5.858 672 HD12 LEU 87 HD12 LEU 87 5.232 -1.658 -6.487 673 HD13 LEU 87 HD13 LEU 87 4.862 -2.848 -5.228 674 HD21 LEU 87 HD21 LEU 87 5.176 -4.950 -8.276 675 HD22 LEU 87 HD22 LEU 87 5.696 -4.768 -6.583 676 HD23 LEU 87 HD23 LEU 87 6.207 -3.592 -7.837 677 H LEU 88 H LEU 88 0.177 -3.277 -5.585 678 HA LEU 88 HA LEU 88 -1.506 -5.668 -5.416 679 HB2 LEU 88 HB2 LEU 88 -1.974 -4.133 -3.761 680 HB3 LEU 88 HB3 LEU 88 -1.814 -2.732 -4.823 681 HG LEU 88 HG LEU 88 -4.024 -3.352 -5.878 682 HD11 LEU 88 HD11 LEU 88 -5.568 -4.762 -4.432 683 HD12 LEU 88 HD12 LEU 88 -4.137 -5.341 -3.555 684 HD13 LEU 88 HD13 LEU 88 -4.362 -5.696 -5.274 685 HD21 LEU 88 HD21 LEU 88 -5.347 -2.459 -4.067 686 HD22 LEU 88 HD22 LEU 88 -3.773 -1.628 -4.129 687 HD23 LEU 88 HD23 LEU 88 -4.100 -2.891 -2.898 688 H GLU 89 H GLU 89 -3.132 -6.036 -6.734 689 HA GLU 89 HA GLU 89 -3.072 -5.834 -9.367 690 HB2 GLU 89 HB2 GLU 89 -4.303 -7.482 -7.996 691 HB3 GLU 89 HB3 GLU 89 -5.524 -6.252 -7.645 692 HG2 GLU 89 HG2 GLU 89 -6.313 -7.650 -9.463 693 HG3 GLU 89 HG3 GLU 89 -5.989 -6.051 -10.102 694 H ASP 90 H ASP 90 -2.794 -4.057 -10.074 695 HA ASP 90 HA ASP 90 -2.911 -2.013 -11.055 696 HB2 ASP 90 HB2 ASP 90 -5.696 -3.099 -11.339 697 HB3 ASP 90 HB3 ASP 90 -5.391 -1.453 -11.867 698 H GLY 91 H GLY 91 -4.271 -2.030 -7.948 699 HA2 GLY 91 HA2 GLY 91 -3.578 0.313 -6.986 700 HA3 GLY 91 HA3 GLY 91 -4.887 0.885 -8.033 701 H ILE 92 H ILE 92 -5.612 1.636 -5.751 702 HA ILE 92 HA ILE 92 -6.582 -0.236 -3.875 703 HB ILE 92 HB ILE 92 -6.099 1.955 -3.402 704 HG12 ILE 92 HG12 ILE 92 -7.755 0.516 -2.035 705 HG13 ILE 92 HG13 ILE 92 -7.490 2.193 -1.592 706 HG21 ILE 92 HG21 ILE 92 -7.666 3.862 -3.601 707 HG22 ILE 92 HG22 ILE 92 -6.758 3.402 -5.026 708 HG23 ILE 92 HG23 ILE 92 -8.481 2.941 -4.899 709 HD11 ILE 92 HD11 ILE 92 -9.880 1.293 -3.242 710 HD12 ILE 92 HD12 ILE 92 -9.868 1.427 -1.477 711 HD13 ILE 92 HD13 ILE 92 -9.617 2.871 -2.480 712 H ASP 93 H ASP 93 -7.816 0.642 -6.812 713 HA ASP 93 HA ASP 93 -10.585 -0.159 -6.614 714 HB2 ASP 93 HB2 ASP 93 -9.904 0.753 -8.743 715 HB3 ASP 93 HB3 ASP 93 -8.708 -0.535 -8.976 716 H GLY 94 H GLY 94 -7.626 -2.201 -7.289 717 HA2 GLY 94 HA2 GLY 94 -8.806 -4.703 -7.396 718 HA3 GLY 94 HA3 GLY 94 -7.172 -4.367 -6.799 719 H TRP 95 H TRP 95 -7.969 -2.758 -4.529 720 HA TRP 95 HA TRP 95 -8.387 -4.795 -2.553 721 HB2 TRP 95 HB2 TRP 95 -7.190 -2.559 -2.279 722 HB3 TRP 95 HB3 TRP 95 -8.775 -1.807 -2.146 723 HD1 TRP 95 HD1 TRP 95 -10.173 -2.253 0.060 724 HE1 TRP 95 HE1 TRP 95 -9.566 -3.084 2.366 725 HE3 TRP 95 HE3 TRP 95 -5.507 -4.079 -0.961 726 HZ2 TRP 95 HZ2 TRP 95 -7.470 -4.783 3.556 727 HZ3 TRP 95 HZ3 TRP 95 -4.293 -5.419 0.725 728 HH2 TRP 95 HH2 TRP 95 -5.256 -5.796 2.966 729 H LYS 96 H LYS 96 -10.487 -2.349 -4.057 730 HA LYS 96 HA LYS 96 -12.887 -3.033 -2.584 731 HB2 LYS 96 HB2 LYS 96 -12.479 -1.572 -5.240 732 HB3 LYS 96 HB3 LYS 96 -14.025 -1.753 -4.428 733 HG2 LYS 96 HG2 LYS 96 -13.424 -0.393 -2.625 734 HG3 LYS 96 HG3 LYS 96 -11.690 -0.493 -2.948 735 HD2 LYS 96 HD2 LYS 96 -11.775 0.988 -4.764 736 HD3 LYS 96 HD3 LYS 96 -13.520 0.789 -4.992 737 HE2 LYS 96 HE2 LYS 96 -14.031 1.951 -2.953 738 HE3 LYS 96 HE3 LYS 96 -12.322 2.076 -2.501 739 HZ1 LYS 96 HZ1 LYS 96 -11.984 3.710 -4.114 740 HZ2 LYS 96 HZ2 LYS 96 -13.492 4.076 -3.590 741 HZ3 LYS 96 HZ3 LYS 96 -13.299 3.289 -4.998 742 H LYS 97 H LYS 97 -11.432 -4.143 -5.688 743 HA LYS 97 HA LYS 97 -13.640 -5.775 -6.498 744 HB2 LYS 97 HB2 LYS 97 -10.679 -6.295 -7.040 745 HB3 LYS 97 HB3 LYS 97 -12.012 -7.004 -7.918 746 HG2 LYS 97 HG2 LYS 97 -11.513 -4.015 -7.944 747 HG3 LYS 97 HG3 LYS 97 -10.669 -5.108 -9.010 748 HD2 LYS 97 HD2 LYS 97 -12.499 -4.007 -10.114 749 HD3 LYS 97 HD3 LYS 97 -12.794 -5.760 -10.042 750 HE2 LYS 97 HE2 LYS 97 -14.382 -5.505 -8.269 751 HE3 LYS 97 HE3 LYS 97 -13.901 -3.823 -7.972 752 HZ1 LYS 97 HZ1 LYS 97 -14.986 -3.157 -9.924 753 HZ2 LYS 97 HZ2 LYS 97 -16.005 -4.190 -9.169 754 HZ3 LYS 97 HZ3 LYS 97 -15.174 -4.694 -10.496 755 H ALA 98 H ALA 98 -10.738 -6.582 -4.509 756 HA ALA 98 HA ALA 98 -11.467 -9.294 -4.041 757 HB1 ALA 98 HB1 ALA 98 -9.227 -8.439 -3.525 758 HB2 ALA 98 HB2 ALA 98 -9.883 -7.342 -2.303 759 HB3 ALA 98 HB3 ALA 98 -9.960 -9.104 -2.059 760 H GLY 99 H GLY 99 -12.875 -6.345 -2.854 761 HA2 GLY 99 HA2 GLY 99 -14.809 -6.053 -1.688 762 HA3 GLY 99 HA3 GLY 99 -14.886 -7.796 -1.436 763 H LEU 100 H LEU 100 -11.973 -6.150 -0.554 764 HA LEU 100 HA LEU 100 -12.225 -6.907 2.233 765 HB2 LEU 100 HB2 LEU 100 -10.173 -5.369 0.634 766 HB3 LEU 100 HB3 LEU 100 -9.914 -5.879 2.294 767 HG LEU 100 HG LEU 100 -10.444 -7.778 -0.035 768 HD11 LEU 100 HD11 LEU 100 -7.829 -7.102 1.342 769 HD12 LEU 100 HD12 LEU 100 -8.330 -6.560 -0.269 770 HD13 LEU 100 HD13 LEU 100 -8.081 -8.286 0.028 771 HD21 LEU 100 HD21 LEU 100 -9.730 -8.292 2.876 772 HD22 LEU 100 HD22 LEU 100 -9.572 -9.504 1.581 773 HD23 LEU 100 HD23 LEU 100 -11.156 -8.854 1.985 774 HA PRO 101 HA PRO 101 -13.808 -3.144 3.902 775 HB2 PRO 101 HB2 PRO 101 -12.489 -2.815 6.291 776 HB3 PRO 101 HB3 PRO 101 -13.689 -4.094 5.982 777 HG2 PRO 101 HG2 PRO 101 -10.660 -4.278 5.826 778 HG3 PRO 101 HG3 PRO 101 -11.786 -5.404 6.649 779 HD2 PRO 101 HD2 PRO 101 -10.809 -5.905 4.170 780 HD3 PRO 101 HD3 PRO 101 -12.485 -6.350 4.604 781 H VAL 102 H VAL 102 -13.311 -0.895 4.647 782 HA VAL 102 HA VAL 102 -10.659 0.139 3.862 783 HB VAL 102 HB VAL 102 -12.021 2.064 2.769 784 HG11 VAL 102 HG11 VAL 102 -11.917 -0.589 1.304 785 HG12 VAL 102 HG12 VAL 102 -11.895 1.062 0.610 786 HG13 VAL 102 HG13 VAL 102 -10.537 0.496 1.586 787 HG21 VAL 102 HG21 VAL 102 -14.203 1.261 3.630 788 HG22 VAL 102 HG22 VAL 102 -14.167 1.650 1.913 789 HG23 VAL 102 HG23 VAL 102 -14.151 -0.054 2.435 790 H ALA 103 H ALA 103 -10.764 2.601 4.286 791 HA ALA 103 HA ALA 103 -11.820 3.110 7.004 792 HB1 ALA 103 HB1 ALA 103 -9.842 4.580 7.217 793 HB2 ALA 103 HB2 ALA 103 -9.417 2.856 7.138 794 HB3 ALA 103 HB3 ALA 103 -9.198 3.905 5.717 795 H VAL 104 H VAL 104 -13.695 3.649 5.965 796 HA VAL 104 HA VAL 104 -13.744 6.301 4.620 797 HB VAL 104 HB VAL 104 -15.880 5.508 3.600 798 HG11 VAL 104 HG11 VAL 104 -13.934 5.443 2.250 799 HG12 VAL 104 HG12 VAL 104 -13.397 3.897 2.929 800 HG13 VAL 104 HG13 VAL 104 -14.854 3.982 1.927 801 HG21 VAL 104 HG21 VAL 104 -16.387 3.082 3.538 802 HG22 VAL 104 HG22 VAL 104 -15.121 2.799 4.751 803 HG23 VAL 104 HG23 VAL 104 -16.544 3.777 5.158 804 H ASN 105 H ASN 105 -15.978 7.336 5.110 805 HA ASN 105 HA ASN 105 -16.381 7.150 8.051 806 HB2 ASN 105 HB2 ASN 105 -15.751 9.311 7.183 807 HB3 ASN 105 HB3 ASN 105 -17.081 9.293 6.023 808 HD21 ASN 105 HD21 ASN 105 -16.624 8.762 9.598 809 HD22 ASN 105 HD22 ASN 105 -18.026 9.666 10.054 810 H LYS 106 H LYS 106 -18.055 6.372 5.055 811 HA LYS 106 HA LYS 106 -20.223 5.175 6.530 812 HB2 LYS 106 HB2 LYS 106 -22.038 6.331 5.362 813 HB3 LYS 106 HB3 LYS 106 -21.178 7.415 6.429 814 HG2 LYS 106 HG2 LYS 106 -20.350 7.330 3.514 815 HG3 LYS 106 HG3 LYS 106 -21.890 8.062 3.902 816 HD2 LYS 106 HD2 LYS 106 -19.339 8.912 5.326 817 HD3 LYS 106 HD3 LYS 106 -19.835 9.603 3.774 818 HE2 LYS 106 HE2 LYS 106 -21.925 10.375 4.667 819 HE3 LYS 106 HE3 LYS 106 -21.677 9.524 6.198 820 HZ1 LYS 106 HZ1 LYS 106 -19.956 10.999 6.749 821 HZ2 LYS 106 HZ2 LYS 106 -21.237 11.915 6.238 822 HZ3 LYS 106 HZ3 LYS 106 -19.959 11.729 5.249 823 H SER 107 H SER 107 -21.641 3.904 4.965 824 HA SER 107 HA SER 107 -20.122 2.498 3.085 825 HB2 SER 107 HB2 SER 107 -23.148 2.598 2.981 826 HB3 SER 107 HB3 SER 107 -22.062 1.226 2.713 827 HG SER 107 HG SER 107 -22.614 0.794 4.708 828 H GLN 108 H GLN 108 -21.359 5.627 2.535 829 HA GLN 108 HA GLN 108 -21.193 5.261 -0.370 830 HB2 GLN 108 HB2 GLN 108 -23.647 5.270 0.614 831 HB3 GLN 108 HB3 GLN 108 -23.433 6.998 0.758 832 HG2 GLN 108 HG2 GLN 108 -23.114 5.331 -1.782 833 HG3 GLN 108 HG3 GLN 108 -24.574 6.174 -1.320 834 HE21 GLN 108 HE21 GLN 108 -22.205 8.430 -0.489 835 HE22 GLN 108 HE22 GLN 108 -22.155 9.265 -2.036 Start of MODEL 12 1 H ALA 1 H ALA 1 12.978 -10.140 -2.304 2 HA ALA 1 HA ALA 1 12.964 -7.946 -3.392 3 HB1 ALA 1 HB1 ALA 1 13.869 -8.626 -5.586 4 HB2 ALA 1 HB2 ALA 1 14.498 -9.665 -4.289 5 HB3 ALA 1 HB3 ALA 1 13.215 -10.261 -5.362 6 H LEU 2 H LEU 2 12.131 -6.607 -5.067 7 HA LEU 2 HA LEU 2 9.507 -6.129 -5.312 8 HB2 LEU 2 HB2 LEU 2 11.674 -5.890 -7.406 9 HB3 LEU 2 HB3 LEU 2 10.064 -5.260 -7.692 10 HG LEU 2 HG LEU 2 11.736 -4.390 -5.316 11 HD11 LEU 2 HD11 LEU 2 11.528 -3.259 -8.139 12 HD12 LEU 2 HD12 LEU 2 12.966 -3.891 -7.328 13 HD13 LEU 2 HD13 LEU 2 12.251 -2.389 -6.782 14 HD21 LEU 2 HD21 LEU 2 10.185 -2.417 -5.397 15 HD22 LEU 2 HD22 LEU 2 9.343 -3.930 -5.038 16 HD23 LEU 2 HD23 LEU 2 9.246 -3.238 -6.667 17 H THR 3 H THR 3 7.886 -7.597 -5.597 18 HA THR 3 HA THR 3 7.670 -8.873 -8.250 19 HB THR 3 HB THR 3 7.255 -10.341 -5.613 20 HG1 THR 3 HG1 THR 3 9.431 -10.088 -5.915 21 HG21 THR 3 HG21 THR 3 7.358 -12.332 -7.250 22 HG22 THR 3 HG22 THR 3 7.079 -11.164 -8.544 23 HG23 THR 3 HG23 THR 3 5.875 -11.370 -7.234 24 H THR 4 H THR 4 5.325 -9.528 -8.696 25 HA THR 4 HA THR 4 3.482 -7.622 -7.394 26 HB THR 4 HB THR 4 3.284 -9.162 -9.999 27 HG1 THR 4 HG1 THR 4 4.212 -7.628 -10.964 28 HG21 THR 4 HG21 THR 4 1.062 -8.410 -9.242 29 HG22 THR 4 HG22 THR 4 1.584 -7.463 -10.637 30 HG23 THR 4 HG23 THR 4 1.680 -6.763 -9.001 31 H ILE 5 H ILE 5 1.322 -8.418 -6.741 32 HA ILE 5 HA ILE 5 0.946 -11.326 -6.608 33 HB ILE 5 HB ILE 5 0.465 -11.501 -4.372 34 HG12 ILE 5 HG12 ILE 5 -0.817 -9.578 -3.823 35 HG13 ILE 5 HG13 ILE 5 0.461 -9.767 -2.663 36 HG21 ILE 5 HG21 ILE 5 2.992 -9.820 -4.467 37 HG22 ILE 5 HG22 ILE 5 2.514 -10.927 -3.168 38 HG23 ILE 5 HG23 ILE 5 2.852 -11.554 -4.782 39 HD11 ILE 5 HD11 ILE 5 0.351 -7.763 -4.935 40 HD12 ILE 5 HD12 ILE 5 0.218 -7.420 -3.200 41 HD13 ILE 5 HD13 ILE 5 1.762 -7.965 -3.876 42 H SER 6 H SER 6 -1.444 -11.779 -5.848 43 HA SER 6 HA SER 6 -3.152 -10.224 -7.619 44 HB2 SER 6 HB2 SER 6 -3.756 -12.497 -5.684 45 HB3 SER 6 HB3 SER 6 -4.815 -11.947 -6.994 46 HG SER 6 HG SER 6 -3.279 -12.589 -8.485 47 HA PRO 7 HA PRO 7 -4.833 -7.400 -4.733 48 HB2 PRO 7 HB2 PRO 7 -7.590 -7.447 -5.078 49 HB3 PRO 7 HB3 PRO 7 -6.419 -6.662 -6.174 50 HG2 PRO 7 HG2 PRO 7 -7.650 -9.413 -6.411 51 HG3 PRO 7 HG3 PRO 7 -7.484 -8.166 -7.679 52 HD2 PRO 7 HD2 PRO 7 -5.735 -10.196 -7.521 53 HD3 PRO 7 HD3 PRO 7 -5.149 -8.550 -7.880 54 H HIS 8 H HIS 8 -6.807 -10.452 -4.520 55 HA HIS 8 HA HIS 8 -7.528 -9.938 -1.785 56 HB2 HIS 8 HB2 HIS 8 -8.720 -11.314 -3.563 57 HB3 HIS 8 HB3 HIS 8 -7.532 -12.588 -3.252 58 HD1 HIS 8 HD1 HIS 8 -7.556 -13.266 -0.448 59 HD2 HIS 8 HD2 HIS 8 -10.946 -11.649 -2.327 60 HE1 HIS 8 HE1 HIS 8 -9.508 -13.631 1.175 61 H ASP 9 H ASP 9 -4.776 -11.481 -3.304 62 HA ASP 9 HA ASP 9 -3.786 -13.084 -1.181 63 HB2 ASP 9 HB2 ASP 9 -2.708 -11.934 -3.732 64 HB3 ASP 9 HB3 ASP 9 -1.514 -12.284 -2.507 65 H ALA 10 H ALA 10 -3.144 -9.682 -2.084 66 HA ALA 10 HA ALA 10 -1.058 -9.100 -0.353 67 HB1 ALA 10 HB1 ALA 10 -1.853 -7.613 -2.020 68 HB2 ALA 10 HB2 ALA 10 -3.395 -7.339 -1.158 69 HB3 ALA 10 HB3 ALA 10 -1.857 -6.762 -0.460 70 H GLN 11 H GLN 11 -4.570 -8.728 0.448 71 HA GLN 11 HA GLN 11 -4.240 -7.784 3.051 72 HB2 GLN 11 HB2 GLN 11 -6.273 -8.045 1.528 73 HB3 GLN 11 HB3 GLN 11 -6.459 -9.640 2.141 74 HG2 GLN 11 HG2 GLN 11 -6.042 -7.481 4.228 75 HG3 GLN 11 HG3 GLN 11 -7.477 -7.354 3.244 76 HE21 GLN 11 HE21 GLN 11 -6.873 -10.601 3.576 77 HE22 GLN 11 HE22 GLN 11 -7.905 -10.973 4.930 78 H GLU 12 H GLU 12 -4.405 -11.063 1.815 79 HA GLU 12 HA GLU 12 -4.338 -12.438 4.320 80 HB2 GLU 12 HB2 GLU 12 -4.834 -13.396 1.965 81 HB3 GLU 12 HB3 GLU 12 -3.084 -13.523 1.770 82 HG2 GLU 12 HG2 GLU 12 -2.954 -14.977 3.732 83 HG3 GLU 12 HG3 GLU 12 -4.678 -14.714 4.064 84 H LEU 13 H LEU 13 -1.672 -11.220 2.197 85 HA LEU 13 HA LEU 13 0.383 -12.406 3.806 86 HB2 LEU 13 HB2 LEU 13 0.446 -9.962 1.989 87 HB3 LEU 13 HB3 LEU 13 1.867 -10.730 2.690 88 HG LEU 13 HG LEU 13 -0.073 -12.104 0.773 89 HD11 LEU 13 HD11 LEU 13 1.118 -10.311 -0.344 90 HD12 LEU 13 HD12 LEU 13 1.740 -11.874 -0.883 91 HD13 LEU 13 HD13 LEU 13 2.670 -10.889 0.279 92 HD21 LEU 13 HD21 LEU 13 1.747 -13.819 0.612 93 HD22 LEU 13 HD22 LEU 13 0.953 -13.766 2.176 94 HD23 LEU 13 HD23 LEU 13 2.543 -13.023 1.991 95 H ILE 14 H ILE 14 -1.144 -9.174 3.813 96 HA ILE 14 HA ILE 14 0.363 -8.103 5.967 97 HB ILE 14 HB ILE 14 -2.463 -7.456 5.075 98 HG12 ILE 14 HG12 ILE 14 -0.107 -5.675 4.462 99 HG13 ILE 14 HG13 ILE 14 -0.186 -7.162 3.564 100 HG21 ILE 14 HG21 ILE 14 -2.161 -6.477 7.257 101 HG22 ILE 14 HG22 ILE 14 -0.512 -5.940 6.852 102 HG23 ILE 14 HG23 ILE 14 -1.905 -5.183 6.075 103 HD11 ILE 14 HD11 ILE 14 -1.306 -5.365 2.350 104 HD12 ILE 14 HD12 ILE 14 -2.428 -6.663 2.766 105 HD13 ILE 14 HD13 ILE 14 -2.457 -5.156 3.700 106 H ALA 15 H ALA 15 -2.685 -9.981 5.992 107 HA ALA 15 HA ALA 15 -3.044 -9.908 8.793 108 HB1 ALA 15 HB1 ALA 15 -4.614 -11.713 8.445 109 HB2 ALA 15 HB2 ALA 15 -4.812 -10.505 7.165 110 HB3 ALA 15 HB3 ALA 15 -3.965 -12.032 6.820 111 H ARG 16 H ARG 16 -1.247 -12.162 6.676 112 HA ARG 16 HA ARG 16 -0.537 -14.096 8.691 113 HB2 ARG 16 HB2 ARG 16 0.633 -13.429 5.957 114 HB3 ARG 16 HB3 ARG 16 1.265 -14.698 6.984 115 HG2 ARG 16 HG2 ARG 16 -0.857 -15.913 6.921 116 HG3 ARG 16 HG3 ARG 16 -1.636 -14.608 6.091 117 HD2 ARG 16 HD2 ARG 16 -0.260 -14.899 4.115 118 HD3 ARG 16 HD3 ARG 16 0.832 -15.995 4.977 119 HE ARG 16 HE ARG 16 -1.651 -17.226 5.132 120 HH11 ARG 16 HH11 ARG 16 0.601 -16.458 2.503 121 HH12 ARG 16 HH12 ARG 16 -0.247 -17.403 1.332 122 HH21 ARG 16 HH21 ARG 16 -2.587 -18.581 3.732 123 HH22 ARG 16 HH22 ARG 16 -2.191 -18.617 2.027 124 H GLY 17 H GLY 17 0.712 -10.979 7.866 125 HA2 GLY 17 HA2 GLY 17 2.077 -10.289 10.044 126 HA3 GLY 17 HA3 GLY 17 3.238 -11.436 9.383 127 H ALA 18 H ALA 18 1.895 -9.957 6.687 128 HA ALA 18 HA ALA 18 4.275 -8.347 6.331 129 HB1 ALA 18 HB1 ALA 18 1.877 -8.535 4.448 130 HB2 ALA 18 HB2 ALA 18 3.535 -8.075 4.049 131 HB3 ALA 18 HB3 ALA 18 3.169 -9.741 4.522 132 H LYS 19 H LYS 19 3.497 -6.121 4.973 133 HA LYS 19 HA LYS 19 1.652 -4.551 6.696 134 HB2 LYS 19 HB2 LYS 19 4.578 -4.054 6.125 135 HB3 LYS 19 HB3 LYS 19 3.555 -2.668 6.203 136 HG2 LYS 19 HG2 LYS 19 4.091 -4.772 8.353 137 HG3 LYS 19 HG3 LYS 19 4.705 -3.114 8.355 138 HD2 LYS 19 HD2 LYS 19 2.566 -2.208 8.857 139 HD3 LYS 19 HD3 LYS 19 1.711 -3.722 8.572 140 HE2 LYS 19 HE2 LYS 19 3.750 -3.332 10.794 141 HE3 LYS 19 HE3 LYS 19 2.009 -3.117 10.956 142 HZ1 LYS 19 HZ1 LYS 19 3.364 -5.689 10.389 143 HZ2 LYS 19 HZ2 LYS 19 1.725 -5.471 10.302 144 HZ3 LYS 19 HZ3 LYS 19 2.510 -5.295 11.702 145 H LEU 20 H LEU 20 1.077 -2.398 5.713 146 HA LEU 20 HA LEU 20 1.138 -2.530 2.760 147 HB2 LEU 20 HB2 LEU 20 -1.011 -3.316 3.824 148 HB3 LEU 20 HB3 LEU 20 -1.205 -1.759 4.543 149 HG LEU 20 HG LEU 20 -1.453 -0.664 2.410 150 HD11 LEU 20 HD11 LEU 20 0.095 -1.755 0.930 151 HD12 LEU 20 HD12 LEU 20 -1.514 -2.047 0.287 152 HD13 LEU 20 HD13 LEU 20 -0.690 -3.338 1.162 153 HD21 LEU 20 HD21 LEU 20 -3.511 -1.675 1.682 154 HD22 LEU 20 HD22 LEU 20 -3.378 -2.011 3.420 155 HD23 LEU 20 HD23 LEU 20 -3.013 -3.281 2.248 156 H ILE 21 H ILE 21 2.153 -0.793 2.003 157 HA ILE 21 HA ILE 21 2.033 1.738 3.528 158 HB ILE 21 HB ILE 21 4.255 0.376 1.973 159 HG12 ILE 21 HG12 ILE 21 5.677 0.926 3.856 160 HG13 ILE 21 HG13 ILE 21 4.432 1.869 4.616 161 HG21 ILE 21 HG21 ILE 21 4.256 2.578 1.035 162 HG22 ILE 21 HG22 ILE 21 4.090 3.343 2.622 163 HG23 ILE 21 HG23 ILE 21 5.597 2.487 2.151 164 HD11 ILE 21 HD11 ILE 21 4.086 -1.101 4.166 165 HD12 ILE 21 HD12 ILE 21 4.893 -0.434 5.596 166 HD13 ILE 21 HD13 ILE 21 3.203 -0.021 5.284 167 H ASP 22 H ASP 22 0.652 3.004 2.773 168 HA ASP 22 HA ASP 22 -0.373 2.820 0.055 169 HB2 ASP 22 HB2 ASP 22 -1.034 5.050 2.018 170 HB3 ASP 22 HB3 ASP 22 -1.973 4.376 0.703 171 H ILE 23 H ILE 23 0.962 3.680 -1.521 172 HA ILE 23 HA ILE 23 2.340 6.262 -0.940 173 HB ILE 23 HB ILE 23 3.996 5.720 -2.530 174 HG12 ILE 23 HG12 ILE 23 2.652 3.009 -2.964 175 HG13 ILE 23 HG13 ILE 23 2.524 4.342 -4.113 176 HG21 ILE 23 HG21 ILE 23 5.178 4.066 -1.305 177 HG22 ILE 23 HG22 ILE 23 4.031 4.689 -0.126 178 HG23 ILE 23 HG23 ILE 23 3.709 3.144 -0.958 179 HD11 ILE 23 HD11 ILE 23 5.105 2.964 -3.278 180 HD12 ILE 23 HD12 ILE 23 4.285 2.826 -4.825 181 HD13 ILE 23 HD13 ILE 23 4.983 4.388 -4.352 182 H ARG 24 H ARG 24 -0.544 5.941 -1.850 183 HA ARG 24 HA ARG 24 -0.474 6.820 -4.635 184 HB2 ARG 24 HB2 ARG 24 -2.948 7.320 -3.007 185 HB3 ARG 24 HB3 ARG 24 -2.738 6.828 -4.662 186 HG2 ARG 24 HG2 ARG 24 -3.467 4.824 -3.921 187 HG3 ARG 24 HG3 ARG 24 -1.801 4.561 -3.404 188 HD2 ARG 24 HD2 ARG 24 -3.267 4.014 -1.571 189 HD3 ARG 24 HD3 ARG 24 -2.516 5.559 -1.156 190 HE ARG 24 HE ARG 24 -4.996 5.802 -2.647 191 HH11 ARG 24 HH11 ARG 24 -3.715 5.880 0.651 192 HH12 ARG 24 HH12 ARG 24 -5.233 5.450 1.387 193 HH21 ARG 24 HH21 ARG 24 -6.976 6.143 -1.691 194 HH22 ARG 24 HH22 ARG 24 -7.206 6.203 0.036 195 H ASP 25 H ASP 25 -2.070 8.691 -1.992 196 HA ASP 25 HA ASP 25 -0.130 10.812 -1.968 197 HB2 ASP 25 HB2 ASP 25 -2.716 11.086 -3.545 198 HB3 ASP 25 HB3 ASP 25 -2.097 12.452 -2.627 199 H ALA 26 H ALA 26 -0.635 12.171 -0.188 200 HA ALA 26 HA ALA 26 -2.046 10.946 1.992 201 HB1 ALA 26 HB1 ALA 26 -1.810 13.498 2.775 202 HB2 ALA 26 HB2 ALA 26 -0.422 12.393 2.731 203 HB3 ALA 26 HB3 ALA 26 -0.682 13.565 1.425 204 H ASP 27 H ASP 27 -2.996 13.321 -0.463 205 HA ASP 27 HA ASP 27 -5.380 14.258 0.755 206 HB2 ASP 27 HB2 ASP 27 -4.597 14.093 -2.184 207 HB3 ASP 27 HB3 ASP 27 -5.992 14.980 -1.555 208 H GLU 28 H GLU 28 -4.703 11.181 -0.926 209 HA GLU 28 HA GLU 28 -7.543 10.657 -1.429 210 HB2 GLU 28 HB2 GLU 28 -4.968 9.056 -1.716 211 HB3 GLU 28 HB3 GLU 28 -6.571 8.369 -1.988 212 HG2 GLU 28 HG2 GLU 28 -5.690 10.897 -3.419 213 HG3 GLU 28 HG3 GLU 28 -5.293 9.297 -4.013 214 H TYR 29 H TYR 29 -5.004 9.810 0.955 215 HA TYR 29 HA TYR 29 -6.460 7.869 2.394 216 HB2 TYR 29 HB2 TYR 29 -4.111 8.123 2.871 217 HB3 TYR 29 HB3 TYR 29 -4.270 9.818 3.247 218 HD1 TYR 29 HD1 TYR 29 -5.469 10.552 5.409 219 HD2 TYR 29 HD2 TYR 29 -4.398 6.465 4.566 220 HE1 TYR 29 HE1 TYR 29 -5.818 9.972 7.778 221 HE2 TYR 29 HE2 TYR 29 -4.791 5.871 6.904 222 HH TYR 29 HH TYR 29 -5.452 6.580 8.970 223 H LEU 30 H LEU 30 -6.588 11.372 2.455 224 HA LEU 30 HA LEU 30 -8.183 11.831 4.752 225 HB2 LEU 30 HB2 LEU 30 -7.472 13.316 2.261 226 HB3 LEU 30 HB3 LEU 30 -9.044 13.732 2.910 227 HG LEU 30 HG LEU 30 -7.962 14.195 5.136 228 HD11 LEU 30 HD11 LEU 30 -5.403 14.025 3.480 229 HD12 LEU 30 HD12 LEU 30 -5.876 12.902 4.776 230 HD13 LEU 30 HD13 LEU 30 -5.531 14.606 5.147 231 HD21 LEU 30 HD21 LEU 30 -6.877 15.857 2.818 232 HD22 LEU 30 HD22 LEU 30 -7.199 16.396 4.479 233 HD23 LEU 30 HD23 LEU 30 -8.541 15.956 3.413 234 H ARG 31 H ARG 31 -9.142 10.843 1.430 235 HA ARG 31 HA ARG 31 -12.000 11.162 2.065 236 HB2 ARG 31 HB2 ARG 31 -10.496 10.128 -0.403 237 HB3 ARG 31 HB3 ARG 31 -12.247 10.071 -0.218 238 HG2 ARG 31 HG2 ARG 31 -11.857 12.653 0.446 239 HG3 ARG 31 HG3 ARG 31 -10.452 12.450 -0.600 240 HD2 ARG 31 HD2 ARG 31 -11.842 11.836 -2.478 241 HD3 ARG 31 HD3 ARG 31 -13.259 11.570 -1.461 242 HE ARG 31 HE ARG 31 -12.362 14.041 -2.601 243 HH11 ARG 31 HH11 ARG 31 -14.257 12.682 0.138 244 HH12 ARG 31 HH12 ARG 31 -14.950 14.241 0.519 245 HH21 ARG 31 HH21 ARG 31 -13.461 15.985 -2.127 246 HH22 ARG 31 HH22 ARG 31 -14.658 16.060 -0.875 247 H GLU 32 H GLU 32 -9.779 8.479 1.234 248 HA GLU 32 HA GLU 32 -11.228 6.692 3.031 249 HB2 GLU 32 HB2 GLU 32 -11.721 5.027 1.260 250 HB3 GLU 32 HB3 GLU 32 -12.701 6.475 1.219 251 HG2 GLU 32 HG2 GLU 32 -11.112 7.324 -0.668 252 HG3 GLU 32 HG3 GLU 32 -10.530 5.649 -0.722 253 H HIS 33 H HIS 33 -9.894 5.049 3.726 254 HA HIS 33 HA HIS 33 -7.414 4.462 2.296 255 HB2 HIS 33 HB2 HIS 33 -6.114 4.717 4.388 256 HB3 HIS 33 HB3 HIS 33 -6.744 6.226 3.760 257 HD1 HIS 33 HD1 HIS 33 -8.334 7.606 5.297 258 HD2 HIS 33 HD2 HIS 33 -7.134 3.842 6.769 259 HE1 HIS 33 HE1 HIS 33 -9.142 7.473 7.732 260 H ILE 34 H ILE 34 -6.254 2.691 3.737 261 HA ILE 34 HA ILE 34 -8.287 0.588 4.154 262 HB ILE 34 HB ILE 34 -5.339 0.549 3.415 263 HG12 ILE 34 HG12 ILE 34 -7.763 -0.530 1.924 264 HG13 ILE 34 HG13 ILE 34 -7.300 1.149 1.746 265 HG21 ILE 34 HG21 ILE 34 -5.782 -1.424 4.852 266 HG22 ILE 34 HG22 ILE 34 -7.215 -1.821 3.893 267 HG23 ILE 34 HG23 ILE 34 -5.620 -1.927 3.166 268 HD11 ILE 34 HD11 ILE 34 -6.372 0.108 -0.095 269 HD12 ILE 34 HD12 ILE 34 -5.018 0.418 1.008 270 HD13 ILE 34 HD13 ILE 34 -5.696 -1.228 0.884 271 HA PRO 35 HA PRO 35 -7.416 0.948 8.497 272 HB2 PRO 35 HB2 PRO 35 -8.360 -1.460 9.367 273 HB3 PRO 35 HB3 PRO 35 -9.420 -0.130 8.822 274 HG2 PRO 35 HG2 PRO 35 -8.475 -2.532 7.206 275 HG3 PRO 35 HG3 PRO 35 -10.156 -1.905 7.395 276 HD2 PRO 35 HD2 PRO 35 -8.577 -1.313 5.299 277 HD3 PRO 35 HD3 PRO 35 -9.632 -0.064 5.938 278 H GLU 36 H GLU 36 -6.314 -1.986 6.780 279 HA GLU 36 HA GLU 36 -4.400 -2.771 8.763 280 HB2 GLU 36 HB2 GLU 36 -4.857 -3.631 5.895 281 HB3 GLU 36 HB3 GLU 36 -3.748 -4.419 7.023 282 HG2 GLU 36 HG2 GLU 36 -6.718 -4.074 7.427 283 HG3 GLU 36 HG3 GLU 36 -5.912 -5.567 6.953 284 H ALA 37 H ALA 37 -4.258 -0.088 6.761 285 HA ALA 37 HA ALA 37 -1.367 -0.412 6.191 286 HB1 ALA 37 HB1 ALA 37 -3.245 1.610 4.972 287 HB2 ALA 37 HB2 ALA 37 -1.633 1.061 4.417 288 HB3 ALA 37 HB3 ALA 37 -3.029 -0.002 4.293 289 H ASP 38 H ASP 38 -0.181 1.635 6.232 290 HA ASP 38 HA ASP 38 -0.794 3.097 8.839 291 HB2 ASP 38 HB2 ASP 38 1.256 1.510 8.205 292 HB3 ASP 38 HB3 ASP 38 1.944 3.011 7.690 293 H LEU 39 H LEU 39 -0.215 3.584 5.649 294 HA LEU 39 HA LEU 39 -0.227 5.258 4.109 295 HB2 LEU 39 HB2 LEU 39 -1.971 6.426 5.190 296 HB3 LEU 39 HB3 LEU 39 -0.910 6.879 6.501 297 HG LEU 39 HG LEU 39 0.370 8.399 4.892 298 HD11 LEU 39 HD11 LEU 39 -1.991 7.769 3.088 299 HD12 LEU 39 HD12 LEU 39 -0.321 7.322 2.768 300 HD13 LEU 39 HD13 LEU 39 -0.781 9.033 2.797 301 HD21 LEU 39 HD21 LEU 39 -1.334 10.179 4.818 302 HD22 LEU 39 HD22 LEU 39 -1.145 9.412 6.406 303 HD23 LEU 39 HD23 LEU 39 -2.531 9.008 5.398 304 H ALA 40 H ALA 40 1.338 6.277 3.008 305 HA ALA 40 HA ALA 40 3.408 7.797 4.271 306 HB1 ALA 40 HB1 ALA 40 4.796 5.441 3.073 307 HB2 ALA 40 HB2 ALA 40 5.187 6.517 4.417 308 HB3 ALA 40 HB3 ALA 40 4.063 5.223 4.682 309 HA PRO 41 HA PRO 41 2.679 8.631 -0.227 310 HB2 PRO 41 HB2 PRO 41 3.009 11.376 -0.091 311 HB3 PRO 41 HB3 PRO 41 1.442 10.543 0.192 312 HG2 PRO 41 HG2 PRO 41 3.445 11.568 2.186 313 HG3 PRO 41 HG3 PRO 41 1.669 11.689 2.260 314 HD2 PRO 41 HD2 PRO 41 3.109 9.827 3.661 315 HD3 PRO 41 HD3 PRO 41 1.484 9.457 3.037 316 H LEU 42 H LEU 42 4.218 9.022 -1.815 317 HA LEU 42 HA LEU 42 6.879 8.549 -1.127 318 HB2 LEU 42 HB2 LEU 42 5.520 8.611 -3.510 319 HB3 LEU 42 HB3 LEU 42 6.466 10.077 -3.654 320 HG LEU 42 HG LEU 42 7.956 8.727 -4.624 321 HD11 LEU 42 HD11 LEU 42 9.161 9.306 -2.519 322 HD12 LEU 42 HD12 LEU 42 9.745 7.866 -3.334 323 HD13 LEU 42 HD13 LEU 42 8.750 7.709 -1.877 324 HD21 LEU 42 HD21 LEU 42 6.931 6.434 -2.905 325 HD22 LEU 42 HD22 LEU 42 8.096 6.272 -4.251 326 HD23 LEU 42 HD23 LEU 42 6.423 6.774 -4.561 327 H SER 43 H SER 43 5.212 11.688 -1.640 328 HA SER 43 HA SER 43 7.468 13.338 -1.592 329 HB2 SER 43 HB2 SER 43 4.650 13.941 -0.620 330 HB3 SER 43 HB3 SER 43 5.863 15.128 -1.162 331 HG SER 43 HG SER 43 4.243 14.348 -2.780 332 H VAL 44 H VAL 44 6.252 11.512 1.062 333 HA VAL 44 HA VAL 44 7.639 13.261 3.047 334 HB VAL 44 HB VAL 44 5.583 11.029 3.248 335 HG11 VAL 44 HG11 VAL 44 6.976 12.425 5.549 336 HG12 VAL 44 HG12 VAL 44 5.589 11.327 5.674 337 HG13 VAL 44 HG13 VAL 44 7.148 10.701 5.115 338 HG21 VAL 44 HG21 VAL 44 4.774 13.352 2.706 339 HG22 VAL 44 HG22 VAL 44 4.238 12.810 4.301 340 HG23 VAL 44 HG23 VAL 44 5.584 13.952 4.159 341 H LEU 45 H LEU 45 7.584 9.992 1.583 342 HA LEU 45 HA LEU 45 9.732 8.889 3.079 343 HB2 LEU 45 HB2 LEU 45 8.416 8.302 0.416 344 HB3 LEU 45 HB3 LEU 45 9.985 7.582 0.717 345 HG LEU 45 HG LEU 45 8.228 6.020 1.338 346 HD11 LEU 45 HD11 LEU 45 9.162 5.289 3.305 347 HD12 LEU 45 HD12 LEU 45 9.242 6.909 4.017 348 HD13 LEU 45 HD13 LEU 45 10.427 6.432 2.796 349 HD21 LEU 45 HD21 LEU 45 7.252 8.057 3.331 350 HD22 LEU 45 HD22 LEU 45 6.850 6.339 3.209 351 HD23 LEU 45 HD23 LEU 45 6.403 7.435 1.882 352 H GLU 46 H GLU 46 9.708 10.570 -0.055 353 HA GLU 46 HA GLU 46 12.444 10.518 -0.657 354 HB2 GLU 46 HB2 GLU 46 10.136 12.341 -1.323 355 HB3 GLU 46 HB3 GLU 46 11.743 12.882 -1.720 356 HG2 GLU 46 HG2 GLU 46 11.429 10.126 -2.611 357 HG3 GLU 46 HG3 GLU 46 10.105 11.114 -3.231 358 H GLN 47 H GLN 47 10.767 12.418 1.789 359 HA GLN 47 HA GLN 47 12.959 14.347 2.040 360 HB2 GLN 47 HB2 GLN 47 10.268 14.062 3.417 361 HB3 GLN 47 HB3 GLN 47 11.506 15.191 3.963 362 HG2 GLN 47 HG2 GLN 47 11.557 16.233 1.698 363 HG3 GLN 47 HG3 GLN 47 10.252 15.155 1.189 364 HE21 GLN 47 HE21 GLN 47 8.157 15.724 1.744 365 HE22 GLN 47 HE22 GLN 47 7.720 17.148 2.683 366 H SER 48 H SER 48 11.329 12.138 4.339 367 HA SER 48 HA SER 48 13.764 12.267 6.028 368 HB2 SER 48 HB2 SER 48 11.477 12.732 6.916 369 HB3 SER 48 HB3 SER 48 11.027 11.061 6.585 370 HG SER 48 HG SER 48 13.215 11.800 8.281 371 H GLY 49 H GLY 49 11.547 9.730 4.800 372 HA2 GLY 49 HA2 GLY 49 12.599 7.801 3.611 373 HA3 GLY 49 HA3 GLY 49 13.718 7.684 4.994 374 H LEU 50 H LEU 50 12.284 5.424 4.600 375 HA LEU 50 HA LEU 50 9.689 5.399 5.746 376 HB2 LEU 50 HB2 LEU 50 10.785 3.641 4.220 377 HB3 LEU 50 HB3 LEU 50 11.656 3.076 5.645 378 HG LEU 50 HG LEU 50 9.367 2.701 6.735 379 HD11 LEU 50 HD11 LEU 50 7.979 4.114 5.147 380 HD12 LEU 50 HD12 LEU 50 7.426 2.440 5.238 381 HD13 LEU 50 HD13 LEU 50 8.374 2.983 3.849 382 HD21 LEU 50 HD21 LEU 50 9.835 1.128 4.182 383 HD22 LEU 50 HD22 LEU 50 8.992 0.573 5.618 384 HD23 LEU 50 HD23 LEU 50 10.739 0.864 5.693 385 HA PRO 51 HA PRO 51 10.868 5.584 10.070 386 HB2 PRO 51 HB2 PRO 51 8.549 4.725 11.286 387 HB3 PRO 51 HB3 PRO 51 8.681 6.338 10.503 388 HG2 PRO 51 HG2 PRO 51 7.521 3.776 9.400 389 HG3 PRO 51 HG3 PRO 51 6.827 5.422 9.314 390 HD2 PRO 51 HD2 PRO 51 8.169 4.347 7.256 391 HD3 PRO 51 HD3 PRO 51 8.307 6.070 7.612 392 H ALA 52 H ALA 52 11.363 4.136 11.833 393 HA ALA 52 HA ALA 52 12.125 1.544 11.079 394 HB1 ALA 52 HB1 ALA 52 13.207 2.842 12.863 395 HB2 ALA 52 HB2 ALA 52 11.740 2.710 13.860 396 HB3 ALA 52 HB3 ALA 52 12.671 1.253 13.441 397 H LYS 53 H LYS 53 9.050 2.675 11.898 398 HA LYS 53 HA LYS 53 7.923 0.251 13.102 399 HB2 LYS 53 HB2 LYS 53 6.495 2.690 11.930 400 HB3 LYS 53 HB3 LYS 53 5.866 1.526 13.076 401 HG2 LYS 53 HG2 LYS 53 8.049 3.602 13.564 402 HG3 LYS 53 HG3 LYS 53 6.394 3.676 14.151 403 HD2 LYS 53 HD2 LYS 53 6.728 1.758 15.593 404 HD3 LYS 53 HD3 LYS 53 8.363 1.481 14.978 405 HE2 LYS 53 HE2 LYS 53 7.479 4.049 16.353 406 HE3 LYS 53 HE3 LYS 53 8.225 2.683 17.196 407 HZ1 LYS 53 HZ1 LYS 53 9.523 4.173 15.003 408 HZ2 LYS 53 HZ2 LYS 53 10.185 2.951 15.904 409 HZ3 LYS 53 HZ3 LYS 53 9.809 4.428 16.569 410 H LEU 54 H LEU 54 8.235 1.611 9.840 411 HA LEU 54 HA LEU 54 6.211 -0.397 8.904 412 HB2 LEU 54 HB2 LEU 54 7.250 2.153 7.663 413 HB3 LEU 54 HB3 LEU 54 6.312 0.978 6.747 414 HG LEU 54 HG LEU 54 5.318 2.212 9.337 415 HD11 LEU 54 HD11 LEU 54 4.693 3.060 6.483 416 HD12 LEU 54 HD12 LEU 54 5.685 3.969 7.627 417 HD13 LEU 54 HD13 LEU 54 3.976 3.730 7.960 418 HD21 LEU 54 HD21 LEU 54 4.344 -0.069 8.107 419 HD22 LEU 54 HD22 LEU 54 3.414 1.177 7.279 420 HD23 LEU 54 HD23 LEU 54 3.390 1.042 9.056 421 H ARG 55 H ARG 55 9.427 -0.186 9.161 422 HA ARG 55 HA ARG 55 10.251 -1.525 6.663 423 HB2 ARG 55 HB2 ARG 55 12.477 -1.603 7.730 424 HB3 ARG 55 HB3 ARG 55 11.792 0.013 7.904 425 HG2 ARG 55 HG2 ARG 55 11.482 -0.146 10.119 426 HG3 ARG 55 HG3 ARG 55 11.218 -1.883 10.185 427 HD2 ARG 55 HD2 ARG 55 13.577 -2.316 9.845 428 HD3 ARG 55 HD3 ARG 55 13.895 -0.580 9.680 429 HE ARG 55 HE ARG 55 12.630 -1.175 12.201 430 HH11 ARG 55 HH11 ARG 55 15.765 -1.555 10.525 431 HH12 ARG 55 HH12 ARG 55 16.698 -1.169 11.949 432 HH21 ARG 55 HH21 ARG 55 13.904 -0.767 14.049 433 HH22 ARG 55 HH22 ARG 55 15.650 -0.594 13.887 434 H HIS 56 H HIS 56 8.204 -2.872 8.129 435 HA HIS 56 HA HIS 56 9.055 -5.017 9.711 436 HB2 HIS 56 HB2 HIS 56 6.669 -4.010 8.979 437 HB3 HIS 56 HB3 HIS 56 6.703 -5.378 7.889 438 HD1 HIS 56 HD1 HIS 56 8.003 -5.518 11.605 439 HD2 HIS 56 HD2 HIS 56 4.790 -6.699 9.107 440 HE1 HIS 56 HE1 HIS 56 6.373 -6.807 13.048 441 H GLU 57 H GLU 57 8.822 -7.331 9.151 442 HA GLU 57 HA GLU 57 10.751 -8.391 7.603 443 HB2 GLU 57 HB2 GLU 57 7.971 -9.539 8.120 444 HB3 GLU 57 HB3 GLU 57 9.339 -10.481 7.506 445 HG2 GLU 57 HG2 GLU 57 10.594 -10.152 9.543 446 HG3 GLU 57 HG3 GLU 57 9.424 -8.964 10.133 447 H GLN 58 H GLN 58 7.377 -7.883 6.393 448 HA GLN 58 HA GLN 58 8.404 -7.691 3.648 449 HB2 GLN 58 HB2 GLN 58 6.059 -9.513 4.368 450 HB3 GLN 58 HB3 GLN 58 6.868 -9.335 2.809 451 HG2 GLN 58 HG2 GLN 58 8.941 -10.388 3.877 452 HG3 GLN 58 HG3 GLN 58 7.988 -10.641 5.332 453 HE21 GLN 58 HE21 GLN 58 7.397 -12.740 5.506 454 HE22 GLN 58 HE22 GLN 58 6.849 -13.777 4.218 455 H ILE 59 H ILE 59 7.162 -6.218 2.444 456 HA ILE 59 HA ILE 59 4.660 -5.269 3.656 457 HB ILE 59 HB ILE 59 5.255 -3.109 3.834 458 HG12 ILE 59 HG12 ILE 59 7.578 -3.498 1.930 459 HG13 ILE 59 HG13 ILE 59 6.060 -2.685 1.583 460 HG21 ILE 59 HG21 ILE 59 7.988 -4.293 4.444 461 HG22 ILE 59 HG22 ILE 59 7.265 -2.850 5.142 462 HG23 ILE 59 HG23 ILE 59 6.591 -4.421 5.511 463 HD11 ILE 59 HD11 ILE 59 8.193 -1.690 3.471 464 HD12 ILE 59 HD12 ILE 59 7.645 -0.986 1.938 465 HD13 ILE 59 HD13 ILE 59 6.542 -1.015 3.335 466 H ILE 60 H ILE 60 3.448 -3.880 2.138 467 HA ILE 60 HA ILE 60 4.013 -4.547 -0.742 468 HB ILE 60 HB ILE 60 1.330 -4.744 0.678 469 HG12 ILE 60 HG12 ILE 60 2.109 -7.188 -0.729 470 HG13 ILE 60 HG13 ILE 60 3.405 -6.746 0.332 471 HG21 ILE 60 HG21 ILE 60 0.965 -3.939 -1.594 472 HG22 ILE 60 HG22 ILE 60 2.029 -5.212 -2.251 473 HG23 ILE 60 HG23 ILE 60 0.471 -5.619 -1.487 474 HD11 ILE 60 HD11 ILE 60 1.831 -6.628 2.247 475 HD12 ILE 60 HD12 ILE 60 0.510 -7.127 1.158 476 HD13 ILE 60 HD13 ILE 60 1.879 -8.218 1.472 477 H PHE 61 H PHE 61 3.476 -2.944 -2.230 478 HA PHE 61 HA PHE 61 2.892 -0.246 -1.099 479 HB2 PHE 61 HB2 PHE 61 4.333 -1.071 -3.646 480 HB3 PHE 61 HB3 PHE 61 3.999 0.585 -3.161 481 HD1 PHE 61 HD1 PHE 61 4.740 0.817 -0.383 482 HD2 PHE 61 HD2 PHE 61 6.649 -1.434 -3.544 483 HE1 PHE 61 HE1 PHE 61 6.958 1.062 0.736 484 HE2 PHE 61 HE2 PHE 61 8.833 -1.087 -2.459 485 HZ PHE 61 HZ PHE 61 8.956 0.140 -0.309 486 H HIS 62 H HIS 62 0.774 0.345 -1.443 487 HA HIS 62 HA HIS 62 -0.567 -0.635 -3.891 488 HB2 HIS 62 HB2 HIS 62 -1.415 -0.660 -1.349 489 HB3 HIS 62 HB3 HIS 62 -1.998 0.930 -1.788 490 HD1 HIS 62 HD1 HIS 62 -2.424 -0.975 -4.892 491 HD2 HIS 62 HD2 HIS 62 -4.194 -0.952 -1.053 492 HE1 HIS 62 HE1 HIS 62 -4.709 -2.093 -5.123 493 H CYS 63 H CYS 63 -1.536 0.792 -5.392 494 HA CYS 63 HA CYS 63 -0.639 3.618 -5.328 495 HB2 CYS 63 HB2 CYS 63 0.423 1.996 -7.022 496 HB3 CYS 63 HB3 CYS 63 -1.171 1.826 -7.758 497 HG CYS 63 HG CYS 63 0.773 3.438 -8.930 498 H GLN 64 H GLN 64 -1.969 4.855 -6.915 499 HA GLN 64 HA GLN 64 -4.460 5.469 -5.861 500 HB2 GLN 64 HB2 GLN 64 -4.728 6.788 -8.049 501 HB3 GLN 64 HB3 GLN 64 -3.430 7.180 -6.927 502 HG2 GLN 64 HG2 GLN 64 -1.740 6.361 -8.312 503 HG3 GLN 64 HG3 GLN 64 -2.852 5.408 -9.306 504 HE21 GLN 64 HE21 GLN 64 -1.597 8.686 -8.671 505 HE22 GLN 64 HE22 GLN 64 -2.268 9.438 -10.092 506 H ALA 65 H ALA 65 -4.568 4.676 -9.305 507 HA ALA 65 HA ALA 65 -6.507 2.514 -8.862 508 HB1 ALA 65 HB1 ALA 65 -8.198 3.624 -10.261 509 HB2 ALA 65 HB2 ALA 65 -7.887 4.538 -8.778 510 HB3 ALA 65 HB3 ALA 65 -7.185 5.092 -10.320 511 H GLY 66 H GLY 66 -3.759 2.663 -9.867 512 HA2 GLY 66 HA2 GLY 66 -4.127 1.326 -12.376 513 HA3 GLY 66 HA3 GLY 66 -3.287 2.888 -12.546 514 H LYS 67 H LYS 67 -2.591 -0.085 -12.577 515 HA LYS 67 HA LYS 67 -0.882 -0.810 -10.542 516 HB2 LYS 67 HB2 LYS 67 -0.248 -2.587 -11.889 517 HB3 LYS 67 HB3 LYS 67 -1.940 -2.208 -12.251 518 HG2 LYS 67 HG2 LYS 67 -1.149 -0.975 -14.300 519 HG3 LYS 67 HG3 LYS 67 0.471 -1.624 -14.001 520 HD2 LYS 67 HD2 LYS 67 -2.071 -3.254 -14.533 521 HD3 LYS 67 HD3 LYS 67 -0.749 -2.945 -15.654 522 HE2 LYS 67 HE2 LYS 67 -0.227 -5.076 -14.920 523 HE3 LYS 67 HE3 LYS 67 0.794 -4.053 -13.898 524 HZ1 LYS 67 HZ1 LYS 67 -0.157 -5.415 -12.344 525 HZ2 LYS 67 HZ2 LYS 67 -1.597 -5.604 -13.159 526 HZ3 LYS 67 HZ3 LYS 67 -1.293 -4.271 -12.315 527 H ARG 68 H ARG 68 -0.044 1.949 -12.053 528 HA ARG 68 HA ARG 68 2.706 1.392 -12.808 529 HB2 ARG 68 HB2 ARG 68 1.313 4.016 -12.114 530 HB3 ARG 68 HB3 ARG 68 3.024 3.883 -12.519 531 HG2 ARG 68 HG2 ARG 68 2.243 2.627 -14.651 532 HG3 ARG 68 HG3 ARG 68 0.646 3.312 -14.306 533 HD2 ARG 68 HD2 ARG 68 1.466 5.562 -14.525 534 HD3 ARG 68 HD3 ARG 68 3.155 5.037 -14.495 535 HE ARG 68 HE ARG 68 1.332 5.039 -16.768 536 HH11 ARG 68 HH11 ARG 68 4.345 3.491 -15.514 537 HH12 ARG 68 HH12 ARG 68 4.820 2.986 -17.086 538 HH21 ARG 68 HH21 ARG 68 2.053 4.258 -18.789 539 HH22 ARG 68 HH22 ARG 68 3.564 3.446 -18.964 540 H THR 69 H THR 69 3.963 0.461 -11.368 541 HA THR 69 HA THR 69 4.546 1.748 -8.744 542 HB THR 69 HB THR 69 4.808 -0.781 -8.056 543 HG1 THR 69 HG1 THR 69 3.763 -1.557 -10.095 544 HG21 THR 69 HG21 THR 69 2.178 0.722 -7.989 545 HG22 THR 69 HG22 THR 69 3.558 0.880 -6.871 546 HG23 THR 69 HG23 THR 69 2.628 -0.633 -6.926 547 H SER 70 H SER 70 5.600 -0.788 -11.135 548 HA SER 70 HA SER 70 8.243 -0.903 -10.329 549 HB2 SER 70 HB2 SER 70 7.048 -1.443 -13.033 550 HB3 SER 70 HB3 SER 70 8.622 -2.014 -12.434 551 HG SER 70 HG SER 70 7.147 -3.608 -12.008 552 H ASN 71 H ASN 71 7.017 1.929 -11.208 553 HA ASN 71 HA ASN 71 9.152 2.846 -13.046 554 HB2 ASN 71 HB2 ASN 71 6.499 3.640 -12.774 555 HB3 ASN 71 HB3 ASN 71 7.335 4.901 -11.869 556 HD21 ASN 71 HD21 ASN 71 8.232 6.633 -13.201 557 HD22 ASN 71 HD22 ASN 71 8.399 6.403 -14.930 558 H ASN 72 H ASN 72 7.992 3.375 -9.679 559 HA ASN 72 HA ASN 72 10.560 4.776 -9.034 560 HB2 ASN 72 HB2 ASN 72 7.785 4.927 -7.833 561 HB3 ASN 72 HB3 ASN 72 9.196 5.299 -6.865 562 HD21 ASN 72 HD21 ASN 72 7.527 7.320 -6.997 563 HD22 ASN 72 HD22 ASN 72 8.320 8.596 -7.859 564 H ALA 73 H ALA 73 9.260 1.715 -8.955 565 HA ALA 73 HA ALA 73 9.554 0.546 -6.551 566 HB1 ALA 73 HB1 ALA 73 10.143 -1.467 -7.853 567 HB2 ALA 73 HB2 ALA 73 8.676 -0.629 -8.346 568 HB3 ALA 73 HB3 ALA 73 10.196 -0.466 -9.311 569 H ASP 74 H ASP 74 12.121 1.673 -8.696 570 HA ASP 74 HA ASP 74 14.333 0.243 -7.752 571 HB2 ASP 74 HB2 ASP 74 14.010 1.805 -9.775 572 HB3 ASP 74 HB3 ASP 74 14.298 3.153 -8.687 573 H LYS 75 H LYS 75 13.473 3.621 -6.875 574 HA LYS 75 HA LYS 75 15.107 3.598 -4.511 575 HB2 LYS 75 HB2 LYS 75 12.747 5.496 -4.707 576 HB3 LYS 75 HB3 LYS 75 14.314 5.710 -3.958 577 HG2 LYS 75 HG2 LYS 75 14.620 7.034 -5.780 578 HG3 LYS 75 HG3 LYS 75 15.224 5.527 -6.431 579 HD2 LYS 75 HD2 LYS 75 13.698 5.724 -8.116 580 HD3 LYS 75 HD3 LYS 75 12.440 5.409 -6.945 581 HE2 LYS 75 HE2 LYS 75 11.941 7.427 -8.222 582 HE3 LYS 75 HE3 LYS 75 12.171 7.821 -6.510 583 HZ1 LYS 75 HZ1 LYS 75 13.286 9.386 -8.014 584 HZ2 LYS 75 HZ2 LYS 75 14.241 8.171 -8.596 585 HZ3 LYS 75 HZ3 LYS 75 14.320 8.673 -7.007 586 H LEU 76 H LEU 76 11.616 3.133 -5.072 587 HA LEU 76 HA LEU 76 10.720 3.014 -2.414 588 HB2 LEU 76 HB2 LEU 76 9.888 1.546 -4.898 589 HB3 LEU 76 HB3 LEU 76 9.072 1.197 -3.389 590 HG LEU 76 HG LEU 76 9.239 3.979 -4.592 591 HD11 LEU 76 HD11 LEU 76 6.953 3.681 -5.324 592 HD12 LEU 76 HD12 LEU 76 6.910 2.010 -4.722 593 HD13 LEU 76 HD13 LEU 76 7.933 2.443 -6.096 594 HD21 LEU 76 HD21 LEU 76 7.738 2.737 -2.242 595 HD22 LEU 76 HD22 LEU 76 7.254 4.262 -2.955 596 HD23 LEU 76 HD23 LEU 76 8.858 4.119 -2.218 597 H ALA 77 H ALA 77 12.063 0.316 -4.344 598 HA ALA 77 HA ALA 77 11.922 -1.746 -2.362 599 HB1 ALA 77 HB1 ALA 77 12.474 -2.257 -4.619 600 HB2 ALA 77 HB2 ALA 77 13.972 -1.302 -4.559 601 HB3 ALA 77 HB3 ALA 77 13.804 -2.771 -3.571 602 H ALA 78 H ALA 78 14.652 0.542 -3.133 603 HA ALA 78 HA ALA 78 16.384 -0.313 -1.070 604 HB1 ALA 78 HB1 ALA 78 17.517 1.875 -1.450 605 HB2 ALA 78 HB2 ALA 78 17.142 1.032 -2.973 606 HB3 ALA 78 HB3 ALA 78 16.155 2.405 -2.437 607 H ILE 79 H ILE 79 14.060 2.388 -1.053 608 HA ILE 79 HA ILE 79 14.590 3.424 1.510 609 HB ILE 79 HB ILE 79 12.089 3.370 -0.216 610 HG12 ILE 79 HG12 ILE 79 13.956 5.711 0.367 611 HG13 ILE 79 HG13 ILE 79 14.050 4.708 -1.067 612 HG21 ILE 79 HG21 ILE 79 11.376 3.706 2.136 613 HG22 ILE 79 HG22 ILE 79 12.508 5.072 2.277 614 HG23 ILE 79 HG23 ILE 79 11.113 5.122 1.163 615 HD11 ILE 79 HD11 ILE 79 11.492 5.341 -1.413 616 HD12 ILE 79 HD12 ILE 79 11.885 6.694 -0.315 617 HD13 ILE 79 HD13 ILE 79 12.762 6.498 -1.834 618 H ALA 80 H ALA 80 12.473 0.670 0.543 619 HA ALA 80 HA ALA 80 11.553 0.355 3.329 620 HB1 ALA 80 HB1 ALA 80 10.264 -1.555 2.345 621 HB2 ALA 80 HB2 ALA 80 9.879 0.008 1.632 622 HB3 ALA 80 HB3 ALA 80 10.942 -1.143 0.761 623 H ALA 81 H ALA 81 13.807 -1.276 1.123 624 HA ALA 81 HA ALA 81 14.145 -3.612 2.653 625 HB1 ALA 81 HB1 ALA 81 16.049 -2.130 0.773 626 HB2 ALA 81 HB2 ALA 81 16.325 -3.781 1.353 627 HB3 ALA 81 HB3 ALA 81 14.918 -3.434 0.343 628 HA PRO 82 HA PRO 82 16.429 -4.923 3.173 629 HB2 PRO 82 HB2 PRO 82 17.254 -6.058 5.497 630 HB3 PRO 82 HB3 PRO 82 18.324 -5.078 4.443 631 HG2 PRO 82 HG2 PRO 82 16.826 -4.185 6.925 632 HG3 PRO 82 HG3 PRO 82 18.552 -3.915 6.536 633 HD2 PRO 82 HD2 PRO 82 16.678 -2.015 6.023 634 HD3 PRO 82 HD3 PRO 82 18.035 -2.304 4.901 635 H ALA 83 H ALA 83 14.502 -5.865 2.790 636 HA ALA 83 HA ALA 83 13.026 -7.446 4.380 637 HB1 ALA 83 HB1 ALA 83 12.141 -5.698 5.758 638 HB2 ALA 83 HB2 ALA 83 11.997 -4.575 4.389 639 HB3 ALA 83 HB3 ALA 83 10.896 -5.969 4.543 640 H GLU 84 H GLU 84 10.790 -7.716 3.207 641 HA GLU 84 HA GLU 84 11.348 -7.670 0.302 642 HB2 GLU 84 HB2 GLU 84 9.657 -9.351 2.122 643 HB3 GLU 84 HB3 GLU 84 9.253 -9.255 0.408 644 HG2 GLU 84 HG2 GLU 84 10.780 -11.181 1.020 645 HG3 GLU 84 HG3 GLU 84 11.308 -10.127 -0.292 646 H ILE 85 H ILE 85 9.994 -6.838 -1.242 647 HA ILE 85 HA ILE 85 7.790 -5.129 -0.351 648 HB ILE 85 HB ILE 85 8.601 -3.729 -2.403 649 HG12 ILE 85 HG12 ILE 85 10.602 -5.323 -2.821 650 HG13 ILE 85 HG13 ILE 85 10.809 -3.592 -2.953 651 HG21 ILE 85 HG21 ILE 85 9.830 -2.258 -0.826 652 HG22 ILE 85 HG22 ILE 85 8.246 -2.815 -0.254 653 HG23 ILE 85 HG23 ILE 85 9.738 -3.542 0.389 654 HD11 ILE 85 HD11 ILE 85 11.588 -5.158 -0.466 655 HD12 ILE 85 HD12 ILE 85 12.701 -4.722 -1.781 656 HD13 ILE 85 HD13 ILE 85 11.932 -3.464 -0.796 657 H PHE 86 H PHE 86 5.957 -5.424 -1.511 658 HA PHE 86 HA PHE 86 6.142 -6.847 -4.108 659 HB2 PHE 86 HB2 PHE 86 4.012 -7.197 -1.991 660 HB3 PHE 86 HB3 PHE 86 3.991 -7.900 -3.602 661 HD1 PHE 86 HD1 PHE 86 5.386 -8.142 -0.241 662 HD2 PHE 86 HD2 PHE 86 5.555 -9.719 -4.253 663 HE1 PHE 86 HE1 PHE 86 6.717 -10.092 0.570 664 HE2 PHE 86 HE2 PHE 86 6.862 -11.664 -3.433 665 HZ PHE 86 HZ PHE 86 7.448 -11.844 -1.025 666 H LEU 87 H LEU 87 4.282 -6.354 -5.524 667 HA LEU 87 HA LEU 87 3.202 -3.587 -5.153 668 HB2 LEU 87 HB2 LEU 87 3.952 -5.000 -7.741 669 HB3 LEU 87 HB3 LEU 87 3.392 -3.340 -7.567 670 HG LEU 87 HG LEU 87 6.055 -4.470 -6.568 671 HD11 LEU 87 HD11 LEU 87 5.520 -2.573 -8.874 672 HD12 LEU 87 HD12 LEU 87 5.845 -4.279 -9.015 673 HD13 LEU 87 HD13 LEU 87 7.088 -3.199 -8.338 674 HD21 LEU 87 HD21 LEU 87 6.568 -1.920 -6.307 675 HD22 LEU 87 HD22 LEU 87 5.633 -2.752 -5.053 676 HD23 LEU 87 HD23 LEU 87 4.797 -1.738 -6.205 677 H LEU 88 H LEU 88 0.997 -3.403 -5.428 678 HA LEU 88 HA LEU 88 -0.518 -5.867 -5.663 679 HB2 LEU 88 HB2 LEU 88 -0.954 -3.724 -4.207 680 HB3 LEU 88 HB3 LEU 88 -1.740 -3.087 -5.623 681 HG LEU 88 HG LEU 88 -3.237 -4.038 -3.943 682 HD11 LEU 88 HD11 LEU 88 -3.614 -5.847 -6.319 683 HD12 LEU 88 HD12 LEU 88 -3.904 -4.082 -6.372 684 HD13 LEU 88 HD13 LEU 88 -4.799 -5.089 -5.260 685 HD21 LEU 88 HD21 LEU 88 -1.689 -5.818 -3.212 686 HD22 LEU 88 HD22 LEU 88 -2.195 -6.801 -4.611 687 HD23 LEU 88 HD23 LEU 88 -3.382 -6.315 -3.387 688 H GLU 89 H GLU 89 -2.015 -6.411 -7.280 689 HA GLU 89 HA GLU 89 -1.217 -6.057 -9.941 690 HB2 GLU 89 HB2 GLU 89 -2.644 -7.893 -8.778 691 HB3 GLU 89 HB3 GLU 89 -4.020 -6.856 -9.075 692 HG2 GLU 89 HG2 GLU 89 -2.117 -8.038 -11.138 693 HG3 GLU 89 HG3 GLU 89 -3.736 -8.627 -10.781 694 H ASP 90 H ASP 90 -3.969 -4.597 -8.161 695 HA ASP 90 HA ASP 90 -4.333 -2.521 -10.233 696 HB2 ASP 90 HB2 ASP 90 -6.748 -2.587 -9.568 697 HB3 ASP 90 HB3 ASP 90 -6.158 -4.041 -10.349 698 H GLY 91 H GLY 91 -6.150 -0.901 -8.638 699 HA2 GLY 91 HA2 GLY 91 -4.237 0.209 -6.646 700 HA3 GLY 91 HA3 GLY 91 -5.352 1.134 -7.653 701 H ILE 92 H ILE 92 -6.056 2.024 -5.582 702 HA ILE 92 HA ILE 92 -7.201 0.569 -3.471 703 HB ILE 92 HB ILE 92 -6.548 3.086 -3.821 704 HG12 ILE 92 HG12 ILE 92 -7.185 2.063 -1.685 705 HG13 ILE 92 HG13 ILE 92 -7.529 3.776 -1.861 706 HG21 ILE 92 HG21 ILE 92 -8.172 3.693 -5.539 707 HG22 ILE 92 HG22 ILE 92 -9.513 3.286 -4.462 708 HG23 ILE 92 HG23 ILE 92 -8.460 4.638 -4.061 709 HD11 ILE 92 HD11 ILE 92 -9.922 3.330 -2.186 710 HD12 ILE 92 HD12 ILE 92 -9.594 1.574 -2.119 711 HD13 ILE 92 HD13 ILE 92 -9.314 2.593 -0.693 712 H ASP 93 H ASP 93 -8.491 1.523 -6.571 713 HA ASP 93 HA ASP 93 -11.235 1.125 -6.347 714 HB2 ASP 93 HB2 ASP 93 -11.141 0.851 -8.777 715 HB3 ASP 93 HB3 ASP 93 -10.104 2.168 -8.265 716 H GLY 94 H GLY 94 -8.633 -1.239 -7.169 717 HA2 GLY 94 HA2 GLY 94 -10.445 -3.451 -7.398 718 HA3 GLY 94 HA3 GLY 94 -8.703 -3.509 -7.344 719 H TRP 95 H TRP 95 -8.536 -2.071 -4.711 720 HA TRP 95 HA TRP 95 -8.609 -4.285 -2.945 721 HB2 TRP 95 HB2 TRP 95 -7.363 -2.124 -2.600 722 HB3 TRP 95 HB3 TRP 95 -8.876 -1.404 -2.157 723 HD1 TRP 95 HD1 TRP 95 -10.020 -2.202 0.180 724 HE1 TRP 95 HE1 TRP 95 -8.987 -3.093 2.364 725 HE3 TRP 95 HE3 TRP 95 -5.592 -3.943 -1.679 726 HZ2 TRP 95 HZ2 TRP 95 -6.704 -4.598 3.130 727 HZ3 TRP 95 HZ3 TRP 95 -4.056 -5.259 -0.200 728 HH2 TRP 95 HH2 TRP 95 -4.586 -5.546 2.207 729 H LYS 96 H LYS 96 -10.833 -1.615 -3.442 730 HA LYS 96 HA LYS 96 -12.868 -2.400 -1.582 731 HB2 LYS 96 HB2 LYS 96 -13.065 -0.814 -4.173 732 HB3 LYS 96 HB3 LYS 96 -14.305 -0.863 -2.910 733 HG2 LYS 96 HG2 LYS 96 -12.944 0.351 -1.368 734 HG3 LYS 96 HG3 LYS 96 -11.474 0.087 -2.292 735 HD2 LYS 96 HD2 LYS 96 -12.092 2.342 -2.789 736 HD3 LYS 96 HD3 LYS 96 -12.479 1.394 -4.212 737 HE2 LYS 96 HE2 LYS 96 -14.381 2.767 -3.850 738 HE3 LYS 96 HE3 LYS 96 -14.865 1.170 -3.276 739 HZ1 LYS 96 HZ1 LYS 96 -14.027 2.122 -1.032 740 HZ2 LYS 96 HZ2 LYS 96 -15.515 2.628 -1.602 741 HZ3 LYS 96 HZ3 LYS 96 -14.152 3.560 -1.759 742 H LYS 97 H LYS 97 -12.462 -3.047 -5.118 743 HA LYS 97 HA LYS 97 -14.894 -4.480 -5.454 744 HB2 LYS 97 HB2 LYS 97 -12.247 -4.583 -6.930 745 HB3 LYS 97 HB3 LYS 97 -13.614 -5.570 -7.419 746 HG2 LYS 97 HG2 LYS 97 -13.921 -2.561 -7.070 747 HG3 LYS 97 HG3 LYS 97 -13.274 -3.251 -8.554 748 HD2 LYS 97 HD2 LYS 97 -15.321 -4.648 -8.813 749 HD3 LYS 97 HD3 LYS 97 -16.005 -3.915 -7.360 750 HE2 LYS 97 HE2 LYS 97 -15.317 -2.521 -9.975 751 HE3 LYS 97 HE3 LYS 97 -16.930 -2.886 -9.355 752 HZ1 LYS 97 HZ1 LYS 97 -14.988 -0.956 -8.302 753 HZ2 LYS 97 HZ2 LYS 97 -16.373 -1.382 -7.462 754 HZ3 LYS 97 HZ3 LYS 97 -16.442 -0.608 -8.910 755 H ALA 98 H ALA 98 -11.748 -5.619 -4.132 756 HA ALA 98 HA ALA 98 -12.453 -8.393 -4.248 757 HB1 ALA 98 HB1 ALA 98 -10.134 -7.558 -3.902 758 HB2 ALA 98 HB2 ALA 98 -10.604 -6.957 -2.293 759 HB3 ALA 98 HB3 ALA 98 -10.638 -8.694 -2.635 760 H GLY 99 H GLY 99 -13.572 -5.784 -2.218 761 HA2 GLY 99 HA2 GLY 99 -15.473 -5.859 -0.856 762 HA3 GLY 99 HA3 GLY 99 -15.310 -7.603 -0.652 763 H LEU 100 H LEU 100 -12.394 -5.751 -0.286 764 HA LEU 100 HA LEU 100 -12.156 -6.608 2.474 765 HB2 LEU 100 HB2 LEU 100 -10.472 -4.869 0.683 766 HB3 LEU 100 HB3 LEU 100 -10.008 -5.268 2.314 767 HG LEU 100 HG LEU 100 -10.558 -7.360 0.185 768 HD11 LEU 100 HD11 LEU 100 -7.890 -6.394 1.233 769 HD12 LEU 100 HD12 LEU 100 -8.596 -5.916 -0.308 770 HD13 LEU 100 HD13 LEU 100 -8.165 -7.618 -0.026 771 HD21 LEU 100 HD21 LEU 100 -10.867 -8.468 2.226 772 HD22 LEU 100 HD22 LEU 100 -9.709 -7.440 3.100 773 HD23 LEU 100 HD23 LEU 100 -9.130 -8.690 1.992 774 HA PRO 101 HA PRO 101 -13.883 -3.065 4.354 775 HB2 PRO 101 HB2 PRO 101 -12.551 -2.831 6.714 776 HB3 PRO 101 HB3 PRO 101 -13.633 -4.204 6.319 777 HG2 PRO 101 HG2 PRO 101 -10.613 -4.085 6.142 778 HG3 PRO 101 HG3 PRO 101 -11.603 -5.378 6.861 779 HD2 PRO 101 HD2 PRO 101 -10.618 -5.493 4.271 780 HD3 PRO 101 HD3 PRO 101 -12.166 -6.262 4.764 781 H VAL 102 H VAL 102 -13.628 -0.906 4.505 782 HA VAL 102 HA VAL 102 -10.990 0.384 4.215 783 HB VAL 102 HB VAL 102 -12.153 1.862 2.448 784 HG11 VAL 102 HG11 VAL 102 -10.258 0.370 2.021 785 HG12 VAL 102 HG12 VAL 102 -11.366 -1.002 1.758 786 HG13 VAL 102 HG13 VAL 102 -11.382 0.375 0.652 787 HG21 VAL 102 HG21 VAL 102 -13.820 0.898 1.037 788 HG22 VAL 102 HG22 VAL 102 -13.800 -0.645 1.911 789 HG23 VAL 102 HG23 VAL 102 -14.443 0.811 2.689 790 H ALA 103 H ALA 103 -11.068 2.644 4.560 791 HA ALA 103 HA ALA 103 -12.771 3.402 6.816 792 HB1 ALA 103 HB1 ALA 103 -10.407 4.799 5.530 793 HB2 ALA 103 HB2 ALA 103 -11.102 5.110 7.127 794 HB3 ALA 103 HB3 ALA 103 -10.275 3.570 6.806 795 H VAL 104 H VAL 104 -14.266 3.264 4.470 796 HA VAL 104 HA VAL 104 -14.594 5.983 3.373 797 HB VAL 104 HB VAL 104 -16.408 4.927 2.066 798 HG11 VAL 104 HG11 VAL 104 -15.034 3.333 0.744 799 HG12 VAL 104 HG12 VAL 104 -14.286 4.900 1.030 800 HG13 VAL 104 HG13 VAL 104 -13.750 3.480 1.955 801 HG21 VAL 104 HG21 VAL 104 -17.216 3.214 3.642 802 HG22 VAL 104 HG22 VAL 104 -16.744 2.459 2.117 803 HG23 VAL 104 HG23 VAL 104 -15.681 2.349 3.531 804 H ASN 105 H ASN 105 -16.935 6.781 3.318 805 HA ASN 105 HA ASN 105 -18.359 6.337 5.909 806 HB2 ASN 105 HB2 ASN 105 -17.660 8.892 4.412 807 HB3 ASN 105 HB3 ASN 105 -19.146 8.770 5.336 808 HD21 ASN 105 HD21 ASN 105 -15.737 9.305 5.608 809 HD22 ASN 105 HD22 ASN 105 -15.765 9.521 7.352 810 H LYS 106 H LYS 106 -19.042 4.557 4.516 811 HA LYS 106 HA LYS 106 -20.185 3.497 2.773 812 HB2 LYS 106 HB2 LYS 106 -22.176 5.078 4.408 813 HB3 LYS 106 HB3 LYS 106 -22.650 3.783 3.312 814 HG2 LYS 106 HG2 LYS 106 -20.652 3.389 5.585 815 HG3 LYS 106 HG3 LYS 106 -22.371 3.163 5.783 816 HD2 LYS 106 HD2 LYS 106 -20.692 1.612 3.769 817 HD3 LYS 106 HD3 LYS 106 -21.082 1.041 5.384 818 HE2 LYS 106 HE2 LYS 106 -23.170 1.756 3.276 819 HE3 LYS 106 HE3 LYS 106 -22.548 0.140 3.546 820 HZ1 LYS 106 HZ1 LYS 106 -24.619 0.489 4.743 821 HZ2 LYS 106 HZ2 LYS 106 -24.009 1.743 5.554 822 HZ3 LYS 106 HZ3 LYS 106 -23.429 0.226 5.825 823 H SER 107 H SER 107 -18.988 5.016 1.172 824 HA SER 107 HA SER 107 -20.469 6.984 -0.261 825 HB2 SER 107 HB2 SER 107 -18.566 6.390 -1.958 826 HB3 SER 107 HB3 SER 107 -18.123 7.125 -0.422 827 HG SER 107 HG SER 107 -16.889 5.242 -1.132 828 H GLN 108 H GLN 108 -19.438 3.690 -1.102 829 HA GLN 108 HA GLN 108 -21.814 3.182 -2.757 830 HB2 GLN 108 HB2 GLN 108 -19.891 3.930 -4.212 831 HB3 GLN 108 HB3 GLN 108 -18.910 2.618 -3.569 832 HG2 GLN 108 HG2 GLN 108 -20.377 0.941 -4.541 833 HG3 GLN 108 HG3 GLN 108 -21.581 2.171 -4.946 834 HE21 GLN 108 HE21 GLN 108 -21.648 2.010 -7.181 835 HE22 GLN 108 HE22 GLN 108 -20.250 2.276 -8.219 Start of MODEL 13 1 H ALA 1 H ALA 1 13.338 -9.147 -4.161 2 HA ALA 1 HA ALA 1 12.670 -7.115 -5.439 3 HB1 ALA 1 HB1 ALA 1 12.180 -8.216 -7.550 4 HB2 ALA 1 HB2 ALA 1 13.431 -9.146 -6.688 5 HB3 ALA 1 HB3 ALA 1 11.751 -9.723 -6.709 6 H LEU 2 H LEU 2 10.952 -5.993 -6.492 7 HA LEU 2 HA LEU 2 8.427 -6.099 -5.193 8 HB2 LEU 2 HB2 LEU 2 9.361 -4.566 -7.645 9 HB3 LEU 2 HB3 LEU 2 7.807 -4.378 -6.854 10 HG LEU 2 HG LEU 2 9.481 -4.211 -4.693 11 HD11 LEU 2 HD11 LEU 2 10.962 -2.987 -7.012 12 HD12 LEU 2 HD12 LEU 2 11.547 -4.144 -5.802 13 HD13 LEU 2 HD13 LEU 2 11.198 -2.479 -5.332 14 HD21 LEU 2 HD21 LEU 2 9.057 -1.758 -4.750 15 HD22 LEU 2 HD22 LEU 2 7.612 -2.692 -5.141 16 HD23 LEU 2 HD23 LEU 2 8.526 -1.896 -6.445 17 H THR 3 H THR 3 7.734 -8.306 -5.517 18 HA THR 3 HA THR 3 6.828 -9.071 -8.216 19 HB THR 3 HB THR 3 6.704 -10.395 -5.486 20 HG1 THR 3 HG1 THR 3 8.290 -11.737 -6.451 21 HG21 THR 3 HG21 THR 3 4.861 -11.289 -6.812 22 HG22 THR 3 HG22 THR 3 6.140 -12.488 -6.712 23 HG23 THR 3 HG23 THR 3 5.950 -11.541 -8.204 24 H THR 4 H THR 4 4.548 -9.340 -8.717 25 HA THR 4 HA THR 4 2.776 -7.521 -7.204 26 HB THR 4 HB THR 4 1.286 -8.036 -9.279 27 HG1 THR 4 HG1 THR 4 2.539 -8.588 -11.124 28 HG21 THR 4 HG21 THR 4 3.918 -6.488 -9.464 29 HG22 THR 4 HG22 THR 4 2.290 -5.864 -9.051 30 HG23 THR 4 HG23 THR 4 2.639 -6.413 -10.684 31 H ILE 5 H ILE 5 1.067 -8.314 -5.997 32 HA ILE 5 HA ILE 5 0.518 -11.245 -6.196 33 HB ILE 5 HB ILE 5 0.602 -11.624 -3.963 34 HG12 ILE 5 HG12 ILE 5 -0.572 -9.781 -2.990 35 HG13 ILE 5 HG13 ILE 5 0.949 -9.986 -2.178 36 HG21 ILE 5 HG21 ILE 5 2.810 -11.551 -4.940 37 HG22 ILE 5 HG22 ILE 5 3.015 -9.858 -4.448 38 HG23 ILE 5 HG23 ILE 5 2.843 -11.129 -3.225 39 HD11 ILE 5 HD11 ILE 5 0.688 -7.651 -2.417 40 HD12 ILE 5 HD12 ILE 5 1.743 -8.030 -3.791 41 HD13 ILE 5 HD13 ILE 5 0.012 -7.793 -4.042 42 H SER 6 H SER 6 -0.833 -8.257 -6.299 43 HA SER 6 HA SER 6 -2.953 -7.451 -6.539 44 HB2 SER 6 HB2 SER 6 -3.660 -10.408 -6.684 45 HB3 SER 6 HB3 SER 6 -4.810 -9.143 -6.995 46 HG SER 6 HG SER 6 -2.451 -9.785 -8.392 47 HA PRO 7 HA PRO 7 -4.633 -6.720 -2.579 48 HB2 PRO 7 HB2 PRO 7 -7.407 -6.837 -2.774 49 HB3 PRO 7 HB3 PRO 7 -6.402 -5.466 -3.325 50 HG2 PRO 7 HG2 PRO 7 -7.429 -7.809 -4.963 51 HG3 PRO 7 HG3 PRO 7 -7.522 -6.066 -5.351 52 HD2 PRO 7 HD2 PRO 7 -5.603 -7.477 -6.448 53 HD3 PRO 7 HD3 PRO 7 -5.169 -5.922 -5.715 54 H HIS 8 H HIS 8 -6.016 -9.595 -4.095 55 HA HIS 8 HA HIS 8 -7.140 -10.885 -1.902 56 HB2 HIS 8 HB2 HIS 8 -7.378 -11.429 -4.321 57 HB3 HIS 8 HB3 HIS 8 -5.741 -12.066 -4.341 58 HD1 HIS 8 HD1 HIS 8 -5.622 -14.223 -2.114 59 HD2 HIS 8 HD2 HIS 8 -9.155 -13.228 -4.204 60 HE1 HIS 8 HE1 HIS 8 -7.011 -16.287 -2.155 61 H ASP 9 H ASP 9 -3.894 -11.659 -3.263 62 HA ASP 9 HA ASP 9 -3.144 -13.243 -0.999 63 HB2 ASP 9 HB2 ASP 9 -2.073 -12.918 -3.519 64 HB3 ASP 9 HB3 ASP 9 -1.070 -11.847 -2.620 65 H ALA 10 H ALA 10 -2.647 -9.813 -1.886 66 HA ALA 10 HA ALA 10 -0.757 -9.067 0.015 67 HB1 ALA 10 HB1 ALA 10 -3.151 -7.450 -0.948 68 HB2 ALA 10 HB2 ALA 10 -1.699 -6.790 -0.169 69 HB3 ALA 10 HB3 ALA 10 -1.572 -7.570 -1.762 70 H GLN 11 H GLN 11 -4.380 -9.144 0.443 71 HA GLN 11 HA GLN 11 -4.405 -8.181 3.061 72 HB2 GLN 11 HB2 GLN 11 -6.266 -8.712 1.296 73 HB3 GLN 11 HB3 GLN 11 -6.322 -10.286 2.031 74 HG2 GLN 11 HG2 GLN 11 -6.370 -7.847 3.838 75 HG3 GLN 11 HG3 GLN 11 -7.762 -8.203 2.860 76 HE21 GLN 11 HE21 GLN 11 -8.664 -8.296 5.173 77 HE22 GLN 11 HE22 GLN 11 -8.829 -9.960 5.770 78 H GLU 12 H GLU 12 -4.145 -11.512 1.845 79 HA GLU 12 HA GLU 12 -4.014 -12.724 4.425 80 HB2 GLU 12 HB2 GLU 12 -4.365 -13.774 2.049 81 HB3 GLU 12 HB3 GLU 12 -2.604 -13.903 2.030 82 HG2 GLU 12 HG2 GLU 12 -2.761 -15.067 4.285 83 HG3 GLU 12 HG3 GLU 12 -4.512 -14.981 4.169 84 H LEU 13 H LEU 13 -1.445 -11.275 2.365 85 HA LEU 13 HA LEU 13 0.723 -12.296 3.959 86 HB2 LEU 13 HB2 LEU 13 0.558 -9.722 2.333 87 HB3 LEU 13 HB3 LEU 13 2.024 -10.346 3.072 88 HG LEU 13 HG LEU 13 0.479 -11.663 0.813 89 HD11 LEU 13 HD11 LEU 13 2.478 -11.124 -0.511 90 HD12 LEU 13 HD12 LEU 13 3.202 -10.307 0.884 91 HD13 LEU 13 HD13 LEU 13 1.722 -9.657 0.135 92 HD21 LEU 13 HD21 LEU 13 2.314 -13.262 0.703 93 HD22 LEU 13 HD22 LEU 13 1.487 -13.357 2.246 94 HD23 LEU 13 HD23 LEU 13 3.071 -12.536 2.145 95 H ILE 14 H ILE 14 -1.187 -9.280 4.088 96 HA ILE 14 HA ILE 14 0.152 -8.224 6.381 97 HB ILE 14 HB ILE 14 -2.669 -7.644 5.435 98 HG12 ILE 14 HG12 ILE 14 -0.429 -5.710 4.867 99 HG13 ILE 14 HG13 ILE 14 -0.373 -7.187 3.943 100 HG21 ILE 14 HG21 ILE 14 -1.932 -5.373 6.577 101 HG22 ILE 14 HG22 ILE 14 -2.492 -6.736 7.596 102 HG23 ILE 14 HG23 ILE 14 -0.771 -6.364 7.415 103 HD11 ILE 14 HD11 ILE 14 -2.760 -5.307 4.073 104 HD12 ILE 14 HD12 ILE 14 -1.660 -5.567 2.691 105 HD13 ILE 14 HD13 ILE 14 -2.731 -6.859 3.222 106 H ALA 15 H ALA 15 -2.778 -10.278 6.059 107 HA ALA 15 HA ALA 15 -3.441 -10.354 8.789 108 HB1 ALA 15 HB1 ALA 15 -4.919 -11.192 6.985 109 HB2 ALA 15 HB2 ALA 15 -3.791 -12.533 6.676 110 HB3 ALA 15 HB3 ALA 15 -4.648 -12.442 8.216 111 H ARG 16 H ARG 16 -1.137 -12.319 6.878 112 HA ARG 16 HA ARG 16 -0.393 -14.050 9.074 113 HB2 ARG 16 HB2 ARG 16 0.919 -13.426 6.397 114 HB3 ARG 16 HB3 ARG 16 1.506 -14.645 7.522 115 HG2 ARG 16 HG2 ARG 16 -0.510 -15.981 7.265 116 HG3 ARG 16 HG3 ARG 16 -1.362 -14.694 6.459 117 HD2 ARG 16 HD2 ARG 16 0.202 -14.728 4.580 118 HD3 ARG 16 HD3 ARG 16 1.160 -15.972 5.381 119 HE ARG 16 HE ARG 16 -1.211 -16.287 3.787 120 HH11 ARG 16 HH11 ARG 16 0.661 -17.880 6.353 121 HH12 ARG 16 HH12 ARG 16 0.281 -19.482 5.810 122 HH21 ARG 16 HH21 ARG 16 -1.793 -18.228 3.155 123 HH22 ARG 16 HH22 ARG 16 -1.182 -19.717 3.875 124 H GLY 17 H GLY 17 0.579 -10.824 8.186 125 HA2 GLY 17 HA2 GLY 17 1.683 -9.919 10.398 126 HA3 GLY 17 HA3 GLY 17 2.990 -10.966 9.918 127 H ALA 18 H ALA 18 1.799 -9.717 7.025 128 HA ALA 18 HA ALA 18 4.071 -7.959 6.751 129 HB1 ALA 18 HB1 ALA 18 1.748 -8.326 4.811 130 HB2 ALA 18 HB2 ALA 18 3.373 -7.763 4.444 131 HB3 ALA 18 HB3 ALA 18 3.123 -9.437 4.942 132 H LYS 19 H LYS 19 3.335 -5.802 5.315 133 HA LYS 19 HA LYS 19 1.337 -4.266 6.897 134 HB2 LYS 19 HB2 LYS 19 4.184 -3.902 7.014 135 HB3 LYS 19 HB3 LYS 19 3.564 -2.530 6.139 136 HG2 LYS 19 HG2 LYS 19 2.707 -3.470 8.895 137 HG3 LYS 19 HG3 LYS 19 3.807 -2.122 8.556 138 HD2 LYS 19 HD2 LYS 19 2.022 -0.920 7.374 139 HD3 LYS 19 HD3 LYS 19 0.875 -2.236 7.693 140 HE2 LYS 19 HE2 LYS 19 2.143 -0.364 9.713 141 HE3 LYS 19 HE3 LYS 19 0.438 -0.466 9.247 142 HZ1 LYS 19 HZ1 LYS 19 1.958 -2.568 10.665 143 HZ2 LYS 19 HZ2 LYS 19 0.358 -2.670 10.258 144 HZ3 LYS 19 HZ3 LYS 19 0.881 -1.595 11.371 145 H LEU 20 H LEU 20 0.476 -2.419 5.710 146 HA LEU 20 HA LEU 20 0.855 -2.613 2.752 147 HB2 LEU 20 HB2 LEU 20 -1.307 -3.482 3.786 148 HB3 LEU 20 HB3 LEU 20 -1.685 -1.881 4.220 149 HG LEU 20 HG LEU 20 -1.783 -1.137 1.924 150 HD11 LEU 20 HD11 LEU 20 -0.093 -2.464 0.782 151 HD12 LEU 20 HD12 LEU 20 -1.653 -2.766 0.024 152 HD13 LEU 20 HD13 LEU 20 -0.986 -3.968 1.137 153 HD21 LEU 20 HD21 LEU 20 -3.761 -2.419 1.233 154 HD22 LEU 20 HD22 LEU 20 -3.771 -2.267 2.994 155 HD23 LEU 20 HD23 LEU 20 -3.275 -3.783 2.244 156 H ILE 21 H ILE 21 1.769 -0.818 1.933 157 HA ILE 21 HA ILE 21 1.465 1.736 3.432 158 HB ILE 21 HB ILE 21 3.719 0.486 1.895 159 HG12 ILE 21 HG12 ILE 21 5.068 1.194 3.743 160 HG13 ILE 21 HG13 ILE 21 3.762 2.148 4.437 161 HG21 ILE 21 HG21 ILE 21 3.621 2.580 0.773 162 HG22 ILE 21 HG22 ILE 21 3.194 3.461 2.223 163 HG23 ILE 21 HG23 ILE 21 4.840 2.820 2.026 164 HD11 ILE 21 HD11 ILE 21 3.584 -0.875 4.166 165 HD12 ILE 21 HD12 ILE 21 4.310 -0.088 5.568 166 HD13 ILE 21 HD13 ILE 21 2.611 0.216 5.200 167 H ASP 22 H ASP 22 0.404 3.297 2.568 168 HA ASP 22 HA ASP 22 -0.743 3.137 -0.157 169 HB2 ASP 22 HB2 ASP 22 -2.244 3.643 1.747 170 HB3 ASP 22 HB3 ASP 22 -1.248 5.048 2.152 171 H ILE 23 H ILE 23 0.593 3.969 -1.700 172 HA ILE 23 HA ILE 23 2.421 6.176 -0.961 173 HB ILE 23 HB ILE 23 3.745 5.598 -2.841 174 HG12 ILE 23 HG12 ILE 23 1.701 3.462 -3.556 175 HG13 ILE 23 HG13 ILE 23 1.993 4.969 -4.433 176 HG21 ILE 23 HG21 ILE 23 4.520 3.385 -2.200 177 HG22 ILE 23 HG22 ILE 23 4.066 4.280 -0.755 178 HG23 ILE 23 HG23 ILE 23 2.995 3.011 -1.397 179 HD11 ILE 23 HD11 ILE 23 3.029 3.205 -5.647 180 HD12 ILE 23 HD12 ILE 23 4.318 4.180 -4.924 181 HD13 ILE 23 HD13 ILE 23 3.880 2.605 -4.221 182 H ARG 24 H ARG 24 -0.587 6.507 -1.530 183 HA ARG 24 HA ARG 24 -0.764 7.963 -4.034 184 HB2 ARG 24 HB2 ARG 24 -2.737 7.898 -1.701 185 HB3 ARG 24 HB3 ARG 24 -3.015 8.574 -3.295 186 HG2 ARG 24 HG2 ARG 24 -2.680 6.332 -4.289 187 HG3 ARG 24 HG3 ARG 24 -2.526 5.638 -2.670 188 HD2 ARG 24 HD2 ARG 24 -4.944 7.191 -3.674 189 HD3 ARG 24 HD3 ARG 24 -4.817 5.437 -3.720 190 HE ARG 24 HE ARG 24 -4.406 5.740 -1.140 191 HH11 ARG 24 HH11 ARG 24 -6.776 7.708 -2.912 192 HH12 ARG 24 HH12 ARG 24 -8.115 7.217 -1.904 193 HH21 ARG 24 HH21 ARG 24 -6.074 5.733 0.493 194 HH22 ARG 24 HH22 ARG 24 -7.686 6.208 0.123 195 H ASP 25 H ASP 25 -2.166 9.636 -1.348 196 HA ASP 25 HA ASP 25 -0.099 11.710 -1.128 197 HB2 ASP 25 HB2 ASP 25 -2.837 11.998 -2.416 198 HB3 ASP 25 HB3 ASP 25 -2.310 13.259 -1.300 199 H ALA 26 H ALA 26 -0.304 12.668 0.936 200 HA ALA 26 HA ALA 26 -1.473 11.215 3.029 201 HB1 ALA 26 HB1 ALA 26 -0.928 13.302 4.352 202 HB2 ALA 26 HB2 ALA 26 0.412 12.703 3.373 203 HB3 ALA 26 HB3 ALA 26 -0.533 14.105 2.832 204 H ASP 27 H ASP 27 -2.915 13.679 1.045 205 HA ASP 27 HA ASP 27 -5.118 14.387 2.810 206 HB2 ASP 27 HB2 ASP 27 -4.374 14.862 -0.067 207 HB3 ASP 27 HB3 ASP 27 -6.032 15.164 0.474 208 H GLU 28 H GLU 28 -4.599 11.586 0.705 209 HA GLU 28 HA GLU 28 -7.522 11.219 0.410 210 HB2 GLU 28 HB2 GLU 28 -5.232 9.425 -0.459 211 HB3 GLU 28 HB3 GLU 28 -6.968 9.168 -0.718 212 HG2 GLU 28 HG2 GLU 28 -6.666 11.745 -1.670 213 HG3 GLU 28 HG3 GLU 28 -5.106 11.038 -2.084 214 H TYR 29 H TYR 29 -4.980 10.197 2.567 215 HA TYR 29 HA TYR 29 -6.235 7.925 3.705 216 HB2 TYR 29 HB2 TYR 29 -3.957 8.283 4.139 217 HB3 TYR 29 HB3 TYR 29 -4.181 9.955 4.587 218 HD1 TYR 29 HD1 TYR 29 -4.272 10.608 6.838 219 HD2 TYR 29 HD2 TYR 29 -4.784 6.456 5.803 220 HE1 TYR 29 HE1 TYR 29 -4.058 10.006 9.209 221 HE2 TYR 29 HE2 TYR 29 -4.510 5.833 8.172 222 HH TYR 29 HH TYR 29 -3.701 8.115 10.705 223 H LEU 30 H LEU 30 -6.848 11.323 4.030 224 HA LEU 30 HA LEU 30 -8.454 11.272 6.452 225 HB2 LEU 30 HB2 LEU 30 -7.815 13.251 4.233 226 HB3 LEU 30 HB3 LEU 30 -9.225 13.545 5.237 227 HG LEU 30 HG LEU 30 -7.895 13.680 7.249 228 HD11 LEU 30 HD11 LEU 30 -6.085 12.103 6.826 229 HD12 LEU 30 HD12 LEU 30 -5.399 13.706 7.126 230 HD13 LEU 30 HD13 LEU 30 -5.494 13.088 5.462 231 HD21 LEU 30 HD21 LEU 30 -8.186 15.678 5.735 232 HD22 LEU 30 HD22 LEU 30 -6.619 15.309 5.003 233 HD23 LEU 30 HD23 LEU 30 -6.689 15.750 6.716 234 H ARG 31 H ARG 31 -9.064 10.672 3.035 235 HA ARG 31 HA ARG 31 -11.963 11.110 3.184 236 HB2 ARG 31 HB2 ARG 31 -10.177 10.063 0.952 237 HB3 ARG 31 HB3 ARG 31 -11.939 10.232 0.870 238 HG2 ARG 31 HG2 ARG 31 -11.677 12.630 1.566 239 HG3 ARG 31 HG3 ARG 31 -9.926 12.475 1.369 240 HD2 ARG 31 HD2 ARG 31 -10.171 12.154 -0.988 241 HD3 ARG 31 HD3 ARG 31 -11.910 11.851 -0.825 242 HE ARG 31 HE ARG 31 -10.698 14.460 -0.084 243 HH11 ARG 31 HH11 ARG 31 -12.936 12.811 -2.343 244 HH12 ARG 31 HH12 ARG 31 -13.753 14.276 -2.778 245 HH21 ARG 31 HH21 ARG 31 -11.942 16.320 -0.511 246 HH22 ARG 31 HH22 ARG 31 -13.271 16.272 -1.608 247 H GLU 32 H GLU 32 -10.124 8.216 2.133 248 HA GLU 32 HA GLU 32 -11.373 6.482 4.087 249 HB2 GLU 32 HB2 GLU 32 -12.370 5.068 2.121 250 HB3 GLU 32 HB3 GLU 32 -13.252 6.331 2.953 251 HG2 GLU 32 HG2 GLU 32 -12.075 7.509 0.595 252 HG3 GLU 32 HG3 GLU 32 -12.794 5.974 0.169 253 H HIS 33 H HIS 33 -9.955 4.940 4.464 254 HA HIS 33 HA HIS 33 -8.056 4.122 2.398 255 HB2 HIS 33 HB2 HIS 33 -6.216 4.740 3.572 256 HB3 HIS 33 HB3 HIS 33 -7.275 6.020 4.066 257 HD1 HIS 33 HD1 HIS 33 -5.146 3.300 5.412 258 HD2 HIS 33 HD2 HIS 33 -8.339 5.736 6.698 259 HE1 HIS 33 HE1 HIS 33 -5.178 3.127 7.937 260 H ILE 34 H ILE 34 -6.591 2.203 3.816 261 HA ILE 34 HA ILE 34 -8.713 0.217 4.440 262 HB ILE 34 HB ILE 34 -5.878 0.069 3.404 263 HG12 ILE 34 HG12 ILE 34 -8.443 -1.057 2.211 264 HG13 ILE 34 HG13 ILE 34 -8.060 0.628 1.982 265 HG21 ILE 34 HG21 ILE 34 -7.643 -2.328 4.093 266 HG22 ILE 34 HG22 ILE 34 -6.094 -2.380 3.259 267 HG23 ILE 34 HG23 ILE 34 -6.150 -1.866 4.936 268 HD11 ILE 34 HD11 ILE 34 -5.999 0.180 0.915 269 HD12 ILE 34 HD12 ILE 34 -6.160 -1.577 1.154 270 HD13 ILE 34 HD13 ILE 34 -7.295 -0.704 0.099 271 HA PRO 35 HA PRO 35 -7.583 0.306 8.711 272 HB2 PRO 35 HB2 PRO 35 -8.357 -2.203 9.583 273 HB3 PRO 35 HB3 PRO 35 -9.491 -0.876 9.208 274 HG2 PRO 35 HG2 PRO 35 -8.665 -3.172 7.407 275 HG3 PRO 35 HG3 PRO 35 -10.321 -2.554 7.730 276 HD2 PRO 35 HD2 PRO 35 -8.962 -1.839 5.532 277 HD3 PRO 35 HD3 PRO 35 -9.925 -0.644 6.368 278 H GLU 36 H GLU 36 -6.557 -2.562 6.894 279 HA GLU 36 HA GLU 36 -4.405 -3.242 8.682 280 HB2 GLU 36 HB2 GLU 36 -5.292 -4.168 5.916 281 HB3 GLU 36 HB3 GLU 36 -3.898 -4.829 6.757 282 HG2 GLU 36 HG2 GLU 36 -5.491 -5.169 8.784 283 HG3 GLU 36 HG3 GLU 36 -6.791 -4.957 7.616 284 H ALA 37 H ALA 37 -4.611 -0.660 6.520 285 HA ALA 37 HA ALA 37 -1.706 -0.688 5.912 286 HB1 ALA 37 HB1 ALA 37 -2.316 1.016 4.220 287 HB2 ALA 37 HB2 ALA 37 -3.373 -0.387 4.007 288 HB3 ALA 37 HB3 ALA 37 -3.982 1.035 4.852 289 H ASP 38 H ASP 38 -0.932 1.727 5.726 290 HA ASP 38 HA ASP 38 -1.806 3.182 8.213 291 HB2 ASP 38 HB2 ASP 38 0.314 1.915 8.573 292 HB3 ASP 38 HB3 ASP 38 1.077 2.893 7.330 293 H LEU 39 H LEU 39 0.769 4.402 6.307 294 HA LEU 39 HA LEU 39 -0.353 5.700 4.110 295 HB2 LEU 39 HB2 LEU 39 -1.748 7.062 5.619 296 HB3 LEU 39 HB3 LEU 39 -0.392 7.309 6.700 297 HG LEU 39 HG LEU 39 0.755 8.679 4.954 298 HD11 LEU 39 HD11 LEU 39 -0.437 7.592 2.960 299 HD12 LEU 39 HD12 LEU 39 -0.369 9.346 2.942 300 HD13 LEU 39 HD13 LEU 39 -1.865 8.533 3.409 301 HD21 LEU 39 HD21 LEU 39 -0.639 10.626 5.144 302 HD22 LEU 39 HD22 LEU 39 -0.646 9.734 6.674 303 HD23 LEU 39 HD23 LEU 39 -2.042 9.642 5.593 304 H ALA 40 H ALA 40 1.401 6.671 3.015 305 HA ALA 40 HA ALA 40 3.716 7.805 4.144 306 HB1 ALA 40 HB1 ALA 40 3.869 4.843 3.656 307 HB2 ALA 40 HB2 ALA 40 5.284 5.872 3.302 308 HB3 ALA 40 HB3 ALA 40 4.593 5.812 4.930 309 HA PRO 41 HA PRO 41 2.544 8.439 -0.285 310 HB2 PRO 41 HB2 PRO 41 2.946 11.159 -0.405 311 HB3 PRO 41 HB3 PRO 41 1.433 10.396 0.189 312 HG2 PRO 41 HG2 PRO 41 3.770 11.445 1.778 313 HG3 PRO 41 HG3 PRO 41 2.028 11.703 2.088 314 HD2 PRO 41 HD2 PRO 41 3.519 9.853 3.410 315 HD3 PRO 41 HD3 PRO 41 1.805 9.540 3.014 316 H LEU 42 H LEU 42 3.820 8.686 -2.104 317 HA LEU 42 HA LEU 42 6.524 8.155 -1.861 318 HB2 LEU 42 HB2 LEU 42 4.713 8.275 -3.968 319 HB3 LEU 42 HB3 LEU 42 5.782 9.603 -4.326 320 HG LEU 42 HG LEU 42 6.949 8.124 -5.467 321 HD11 LEU 42 HD11 LEU 42 8.007 6.957 -2.874 322 HD12 LEU 42 HD12 LEU 42 8.482 8.532 -3.549 323 HD13 LEU 42 HD13 LEU 42 8.792 7.049 -4.459 324 HD21 LEU 42 HD21 LEU 42 5.196 6.380 -5.181 325 HD22 LEU 42 HD22 LEU 42 5.980 5.849 -3.681 326 HD23 LEU 42 HD23 LEU 42 6.820 5.692 -5.248 327 H SER 43 H SER 43 4.883 11.279 -2.231 328 HA SER 43 HA SER 43 7.036 12.957 -2.739 329 HB2 SER 43 HB2 SER 43 4.574 13.562 -1.035 330 HB3 SER 43 HB3 SER 43 5.540 14.737 -1.957 331 HG SER 43 HG SER 43 3.576 13.976 -3.055 332 H VAL 44 H VAL 44 6.305 11.346 0.317 333 HA VAL 44 HA VAL 44 8.197 13.145 1.774 334 HB VAL 44 HB VAL 44 6.257 10.993 2.724 335 HG11 VAL 44 HG11 VAL 44 8.172 11.027 4.237 336 HG12 VAL 44 HG12 VAL 44 8.142 12.802 4.302 337 HG13 VAL 44 HG13 VAL 44 6.817 11.848 5.017 338 HG21 VAL 44 HG21 VAL 44 6.190 14.006 3.219 339 HG22 VAL 44 HG22 VAL 44 5.206 13.193 1.995 340 HG23 VAL 44 HG23 VAL 44 4.974 12.795 3.698 341 H LEU 45 H LEU 45 7.603 9.805 0.716 342 HA LEU 45 HA LEU 45 9.798 8.529 1.909 343 HB2 LEU 45 HB2 LEU 45 8.207 8.048 -0.617 344 HB3 LEU 45 HB3 LEU 45 9.443 6.949 -0.087 345 HG LEU 45 HG LEU 45 6.961 7.754 1.556 346 HD11 LEU 45 HD11 LEU 45 6.351 6.456 -0.371 347 HD12 LEU 45 HD12 LEU 45 6.278 5.390 1.028 348 HD13 LEU 45 HD13 LEU 45 7.691 5.328 -0.077 349 HD21 LEU 45 HD21 LEU 45 9.150 5.731 2.142 350 HD22 LEU 45 HD22 LEU 45 7.574 5.773 2.962 351 HD23 LEU 45 HD23 LEU 45 8.662 7.144 3.118 352 H GLU 46 H GLU 46 9.640 9.764 -1.504 353 HA GLU 46 HA GLU 46 12.301 9.057 -2.141 354 HB2 GLU 46 HB2 GLU 46 10.253 10.978 -3.182 355 HB3 GLU 46 HB3 GLU 46 11.906 11.159 -3.739 356 HG2 GLU 46 HG2 GLU 46 10.742 8.364 -3.674 357 HG3 GLU 46 HG3 GLU 46 10.119 9.469 -4.882 358 H GLN 47 H GLN 47 11.207 11.525 -0.136 359 HA GLN 47 HA GLN 47 13.682 13.152 -0.237 360 HB2 GLN 47 HB2 GLN 47 11.047 13.553 1.268 361 HB3 GLN 47 HB3 GLN 47 12.472 14.564 1.460 362 HG2 GLN 47 HG2 GLN 47 12.383 14.989 -1.067 363 HG3 GLN 47 HG3 GLN 47 10.803 14.197 -1.059 364 HE21 GLN 47 HE21 GLN 47 9.156 15.766 -1.034 365 HE22 GLN 47 HE22 GLN 47 9.255 17.288 -0.193 366 H SER 48 H SER 48 11.708 11.651 2.381 367 HA SER 48 HA SER 48 14.092 11.531 4.103 368 HB2 SER 48 HB2 SER 48 11.737 12.583 4.622 369 HB3 SER 48 HB3 SER 48 11.266 10.901 4.923 370 HG SER 48 HG SER 48 11.992 11.737 6.845 371 H GLY 49 H GLY 49 11.817 9.266 2.628 372 HA2 GLY 49 HA2 GLY 49 12.263 6.959 2.315 373 HA3 GLY 49 HA3 GLY 49 13.395 6.966 3.671 374 H LEU 50 H LEU 50 11.665 4.913 3.696 375 HA LEU 50 HA LEU 50 9.101 5.316 4.811 376 HB2 LEU 50 HB2 LEU 50 10.101 3.282 3.631 377 HB3 LEU 50 HB3 LEU 50 10.970 2.945 5.125 378 HG LEU 50 HG LEU 50 8.698 2.780 6.275 379 HD11 LEU 50 HD11 LEU 50 7.327 3.956 4.500 380 HD12 LEU 50 HD12 LEU 50 6.741 2.335 4.883 381 HD13 LEU 50 HD13 LEU 50 7.672 2.618 3.396 382 HD21 LEU 50 HD21 LEU 50 9.292 0.871 3.966 383 HD22 LEU 50 HD22 LEU 50 8.307 0.492 5.387 384 HD23 LEU 50 HD23 LEU 50 10.047 0.817 5.567 385 HA PRO 51 HA PRO 51 10.261 6.198 9.032 386 HB2 PRO 51 HB2 PRO 51 7.950 5.773 10.416 387 HB3 PRO 51 HB3 PRO 51 8.152 7.146 9.280 388 HG2 PRO 51 HG2 PRO 51 6.850 4.477 8.783 389 HG3 PRO 51 HG3 PRO 51 6.223 6.101 8.380 390 HD2 PRO 51 HD2 PRO 51 7.489 4.511 6.574 391 HD3 PRO 51 HD3 PRO 51 7.671 6.267 6.497 392 H ALA 52 H ALA 52 10.575 5.184 11.090 393 HA ALA 52 HA ALA 52 11.473 2.537 10.945 394 HB1 ALA 52 HB1 ALA 52 12.149 4.402 12.579 395 HB2 ALA 52 HB2 ALA 52 10.714 3.948 13.519 396 HB3 ALA 52 HB3 ALA 52 12.013 2.768 13.237 397 H LYS 53 H LYS 53 8.244 3.669 11.714 398 HA LYS 53 HA LYS 53 7.427 1.261 13.147 399 HB2 LYS 53 HB2 LYS 53 5.758 3.442 11.797 400 HB3 LYS 53 HB3 LYS 53 5.141 2.241 12.905 401 HG2 LYS 53 HG2 LYS 53 7.139 4.445 13.569 402 HG3 LYS 53 HG3 LYS 53 5.425 4.479 13.939 403 HD2 LYS 53 HD2 LYS 53 7.265 2.349 15.093 404 HD3 LYS 53 HD3 LYS 53 7.073 3.940 15.801 405 HE2 LYS 53 HE2 LYS 53 5.577 2.626 17.015 406 HE3 LYS 53 HE3 LYS 53 4.566 3.569 15.914 407 HZ1 LYS 53 HZ1 LYS 53 4.351 1.554 14.534 408 HZ2 LYS 53 HZ2 LYS 53 3.928 1.221 16.064 409 HZ3 LYS 53 HZ3 LYS 53 5.377 0.732 15.519 410 H LEU 54 H LEU 54 7.002 2.519 9.831 411 HA LEU 54 HA LEU 54 5.436 0.207 9.017 412 HB2 LEU 54 HB2 LEU 54 6.531 2.546 7.424 413 HB3 LEU 54 HB3 LEU 54 5.373 1.364 6.827 414 HG LEU 54 HG LEU 54 4.909 3.293 9.135 415 HD11 LEU 54 HD11 LEU 54 3.580 3.165 6.404 416 HD12 LEU 54 HD12 LEU 54 4.847 4.324 6.869 417 HD13 LEU 54 HD13 LEU 54 3.278 4.342 7.692 418 HD21 LEU 54 HD21 LEU 54 3.717 1.196 9.576 419 HD22 LEU 54 HD22 LEU 54 2.989 1.250 7.944 420 HD23 LEU 54 HD23 LEU 54 2.642 2.479 9.199 421 H ARG 55 H ARG 55 8.713 0.475 9.231 422 HA ARG 55 HA ARG 55 9.495 -0.969 6.831 423 HB2 ARG 55 HB2 ARG 55 11.721 -0.975 7.880 424 HB3 ARG 55 HB3 ARG 55 11.024 0.634 7.996 425 HG2 ARG 55 HG2 ARG 55 11.050 0.697 10.126 426 HG3 ARG 55 HG3 ARG 55 10.254 -0.853 10.367 427 HD2 ARG 55 HD2 ARG 55 13.192 -0.543 9.708 428 HD3 ARG 55 HD3 ARG 55 12.507 -0.571 11.344 429 HE ARG 55 HE ARG 55 11.794 -2.796 9.574 430 HH11 ARG 55 HH11 ARG 55 13.879 -1.815 12.272 431 HH12 ARG 55 HH12 ARG 55 14.629 -3.365 12.424 432 HH21 ARG 55 HH21 ARG 55 12.574 -4.895 9.970 433 HH22 ARG 55 HH22 ARG 55 13.690 -5.201 11.233 434 H HIS 56 H HIS 56 7.495 -2.279 8.377 435 HA HIS 56 HA HIS 56 8.299 -4.461 9.942 436 HB2 HIS 56 HB2 HIS 56 5.901 -3.632 8.732 437 HB3 HIS 56 HB3 HIS 56 6.165 -5.229 8.058 438 HD1 HIS 56 HD1 HIS 56 4.848 -6.995 9.577 439 HD2 HIS 56 HD2 HIS 56 6.432 -3.651 11.650 440 HE1 HIS 56 HE1 HIS 56 4.202 -7.284 11.973 441 H GLU 57 H GLU 57 8.511 -6.712 9.463 442 HA GLU 57 HA GLU 57 10.616 -7.511 7.963 443 HB2 GLU 57 HB2 GLU 57 8.108 -9.009 8.723 444 HB3 GLU 57 HB3 GLU 57 9.475 -9.827 7.967 445 HG2 GLU 57 HG2 GLU 57 10.894 -9.324 9.852 446 HG3 GLU 57 HG3 GLU 57 9.684 -8.206 10.520 447 H GLN 58 H GLN 58 7.219 -7.534 6.698 448 HA GLN 58 HA GLN 58 8.258 -7.423 3.959 449 HB2 GLN 58 HB2 GLN 58 6.095 -9.404 4.842 450 HB3 GLN 58 HB3 GLN 58 6.772 -9.193 3.227 451 HG2 GLN 58 HG2 GLN 58 9.014 -9.991 4.181 452 HG3 GLN 58 HG3 GLN 58 8.166 -10.351 5.683 453 HE21 GLN 58 HE21 GLN 58 8.509 -12.647 5.614 454 HE22 GLN 58 HE22 GLN 58 7.847 -13.635 4.330 455 H ILE 59 H ILE 59 6.991 -6.104 2.669 456 HA ILE 59 HA ILE 59 4.416 -5.263 3.780 457 HB ILE 59 HB ILE 59 4.859 -3.017 3.811 458 HG12 ILE 59 HG12 ILE 59 7.439 -3.464 2.298 459 HG13 ILE 59 HG13 ILE 59 5.966 -2.756 1.644 460 HG21 ILE 59 HG21 ILE 59 6.000 -4.179 5.717 461 HG22 ILE 59 HG22 ILE 59 7.530 -4.033 4.837 462 HG23 ILE 59 HG23 ILE 59 6.645 -2.591 5.360 463 HD11 ILE 59 HD11 ILE 59 6.130 -0.872 3.231 464 HD12 ILE 59 HD12 ILE 59 7.738 -1.484 3.733 465 HD13 ILE 59 HD13 ILE 59 7.462 -0.981 2.065 466 H ILE 60 H ILE 60 3.288 -3.836 2.161 467 HA ILE 60 HA ILE 60 3.865 -4.606 -0.662 468 HB ILE 60 HB ILE 60 1.171 -4.629 0.750 469 HG12 ILE 60 HG12 ILE 60 1.640 -7.194 -0.358 470 HG13 ILE 60 HG13 ILE 60 3.166 -6.759 0.349 471 HG21 ILE 60 HG21 ILE 60 0.917 -3.928 -1.587 472 HG22 ILE 60 HG22 ILE 60 1.858 -5.337 -2.133 473 HG23 ILE 60 HG23 ILE 60 0.277 -5.550 -1.348 474 HD11 ILE 60 HD11 ILE 60 1.874 -7.936 1.982 475 HD12 ILE 60 HD12 ILE 60 1.983 -6.263 2.515 476 HD13 ILE 60 HD13 ILE 60 0.483 -6.849 1.756 477 H PHE 61 H PHE 61 3.445 -2.981 -2.148 478 HA PHE 61 HA PHE 61 2.788 -0.286 -1.061 479 HB2 PHE 61 HB2 PHE 61 4.503 -1.178 -3.418 480 HB3 PHE 61 HB3 PHE 61 4.019 0.483 -3.145 481 HD1 PHE 61 HD1 PHE 61 4.389 0.752 -0.206 482 HD2 PHE 61 HD2 PHE 61 6.892 -1.045 -3.208 483 HE1 PHE 61 HE1 PHE 61 6.372 1.324 1.129 484 HE2 PHE 61 HE2 PHE 61 8.915 -0.409 -1.854 485 HZ PHE 61 HZ PHE 61 8.656 0.789 0.260 486 H HIS 62 H HIS 62 0.942 0.569 -1.740 487 HA HIS 62 HA HIS 62 -0.129 -0.230 -4.367 488 HB2 HIS 62 HB2 HIS 62 -2.291 -0.735 -3.560 489 HB3 HIS 62 HB3 HIS 62 -1.160 -1.727 -2.640 490 HD1 HIS 62 HD1 HIS 62 -0.711 1.154 -0.683 491 HD2 HIS 62 HD2 HIS 62 -3.991 -1.419 -1.393 492 HE1 HIS 62 HE1 HIS 62 -2.373 1.525 1.209 493 H CYS 63 H CYS 63 -1.617 1.277 -5.265 494 HA CYS 63 HA CYS 63 -2.095 3.805 -3.938 495 HB2 CYS 63 HB2 CYS 63 -1.093 5.132 -5.864 496 HB3 CYS 63 HB3 CYS 63 0.047 4.345 -4.789 497 HG CYS 63 HG CYS 63 0.946 4.345 -7.168 498 H GLN 64 H GLN 64 -3.164 5.250 -5.812 499 HA GLN 64 HA GLN 64 -5.671 4.447 -6.229 500 HB2 GLN 64 HB2 GLN 64 -5.779 6.119 -8.101 501 HB3 GLN 64 HB3 GLN 64 -5.288 6.644 -6.500 502 HG2 GLN 64 HG2 GLN 64 -3.454 7.569 -7.329 503 HG3 GLN 64 HG3 GLN 64 -2.845 6.017 -7.886 504 HE21 GLN 64 HE21 GLN 64 -4.281 9.012 -8.840 505 HE22 GLN 64 HE22 GLN 64 -4.428 8.652 -10.568 506 H ALA 65 H ALA 65 -3.655 4.402 -9.213 507 HA ALA 65 HA ALA 65 -4.008 1.726 -9.921 508 HB1 ALA 65 HB1 ALA 65 -6.407 2.152 -10.190 509 HB2 ALA 65 HB2 ALA 65 -6.071 3.604 -11.166 510 HB3 ALA 65 HB3 ALA 65 -5.660 1.984 -11.776 511 H GLY 66 H GLY 66 -1.716 2.516 -10.199 512 HA2 GLY 66 HA2 GLY 66 -1.287 3.265 -12.955 513 HA3 GLY 66 HA3 GLY 66 -0.845 4.569 -11.844 514 H LYS 67 H LYS 67 0.768 3.108 -13.655 515 HA LYS 67 HA LYS 67 2.441 1.126 -12.787 516 HB2 LYS 67 HB2 LYS 67 3.928 1.795 -14.498 517 HB3 LYS 67 HB3 LYS 67 2.306 2.151 -15.067 518 HG2 LYS 67 HG2 LYS 67 2.658 4.569 -14.609 519 HG3 LYS 67 HG3 LYS 67 4.251 4.231 -13.918 520 HD2 LYS 67 HD2 LYS 67 5.004 3.287 -16.072 521 HD3 LYS 67 HD3 LYS 67 3.445 3.661 -16.785 522 HE2 LYS 67 HE2 LYS 67 5.442 5.697 -15.733 523 HE3 LYS 67 HE3 LYS 67 5.182 5.256 -17.420 524 HZ1 LYS 67 HZ1 LYS 67 2.870 6.071 -17.173 525 HZ2 LYS 67 HZ2 LYS 67 4.037 7.198 -17.077 526 HZ3 LYS 67 HZ3 LYS 67 3.306 6.716 -15.694 527 H ARG 68 H ARG 68 2.321 3.948 -11.105 528 HA ARG 68 HA ARG 68 4.904 4.829 -10.532 529 HB2 ARG 68 HB2 ARG 68 2.400 4.643 -8.839 530 HB3 ARG 68 HB3 ARG 68 3.900 5.353 -8.243 531 HG2 ARG 68 HG2 ARG 68 2.447 7.107 -9.089 532 HG3 ARG 68 HG3 ARG 68 3.914 7.011 -10.056 533 HD2 ARG 68 HD2 ARG 68 2.691 5.915 -11.865 534 HD3 ARG 68 HD3 ARG 68 1.218 5.819 -10.855 535 HE ARG 68 HE ARG 68 1.777 8.456 -10.852 536 HH11 ARG 68 HH11 ARG 68 1.067 6.119 -13.551 537 HH12 ARG 68 HH12 ARG 68 0.986 7.393 -14.696 538 HH21 ARG 68 HH21 ARG 68 1.154 10.016 -12.402 539 HH22 ARG 68 HH22 ARG 68 0.711 9.543 -14.011 540 H THR 69 H THR 69 3.188 2.023 -9.224 541 HA THR 69 HA THR 69 4.765 1.088 -7.217 542 HB THR 69 HB THR 69 3.854 -1.157 -8.237 543 HG1 THR 69 HG1 THR 69 2.480 -0.990 -9.899 544 HG21 THR 69 HG21 THR 69 1.870 1.093 -7.678 545 HG22 THR 69 HG22 THR 69 2.750 0.199 -6.422 546 HG23 THR 69 HG23 THR 69 1.596 -0.645 -7.475 547 H SER 70 H SER 70 5.239 0.262 -10.750 548 HA SER 70 HA SER 70 7.864 -0.878 -10.067 549 HB2 SER 70 HB2 SER 70 7.786 -1.499 -12.519 550 HB3 SER 70 HB3 SER 70 6.555 -2.202 -11.471 551 HG SER 70 HG SER 70 5.400 -1.550 -13.064 552 H ASN 71 H ASN 71 6.523 1.988 -11.437 553 HA ASN 71 HA ASN 71 8.605 3.029 -13.022 554 HB2 ASN 71 HB2 ASN 71 6.239 3.932 -12.569 555 HB3 ASN 71 HB3 ASN 71 6.936 4.764 -11.176 556 HD21 ASN 71 HD21 ASN 71 9.445 5.705 -12.484 557 HD22 ASN 71 HD22 ASN 71 8.851 6.911 -13.624 558 H ASN 72 H ASN 72 8.342 2.988 -9.486 559 HA ASN 72 HA ASN 72 11.008 4.317 -9.346 560 HB2 ASN 72 HB2 ASN 72 8.791 4.482 -7.285 561 HB3 ASN 72 HB3 ASN 72 10.421 5.094 -7.046 562 HD21 ASN 72 HD21 ASN 72 10.571 7.402 -7.329 563 HD22 ASN 72 HD22 ASN 72 9.480 8.228 -8.382 564 H ALA 73 H ALA 73 10.006 1.303 -9.455 565 HA ALA 73 HA ALA 73 10.377 -0.173 -7.240 566 HB1 ALA 73 HB1 ALA 73 9.846 -1.206 -9.327 567 HB2 ALA 73 HB2 ALA 73 11.366 -0.649 -10.074 568 HB3 ALA 73 HB3 ALA 73 11.402 -1.875 -8.825 569 H ASP 74 H ASP 74 13.022 1.369 -9.093 570 HA ASP 74 HA ASP 74 15.181 0.024 -7.914 571 HB2 ASP 74 HB2 ASP 74 14.769 2.313 -9.620 572 HB3 ASP 74 HB3 ASP 74 15.899 2.805 -8.374 573 H LYS 75 H LYS 75 13.766 3.093 -6.978 574 HA LYS 75 HA LYS 75 15.283 3.409 -4.496 575 HB2 LYS 75 HB2 LYS 75 13.867 5.313 -4.075 576 HB3 LYS 75 HB3 LYS 75 14.958 5.375 -5.471 577 HG2 LYS 75 HG2 LYS 75 12.065 4.706 -5.706 578 HG3 LYS 75 HG3 LYS 75 12.726 6.305 -5.572 579 HD2 LYS 75 HD2 LYS 75 14.210 4.737 -7.582 580 HD3 LYS 75 HD3 LYS 75 12.522 4.826 -7.925 581 HE2 LYS 75 HE2 LYS 75 13.783 6.651 -8.998 582 HE3 LYS 75 HE3 LYS 75 12.644 7.305 -7.788 583 HZ1 LYS 75 HZ1 LYS 75 14.918 8.266 -7.802 584 HZ2 LYS 75 HZ2 LYS 75 15.485 6.870 -7.179 585 HZ3 LYS 75 HZ3 LYS 75 14.356 7.763 -6.347 586 H LEU 76 H LEU 76 12.010 2.757 -5.457 587 HA LEU 76 HA LEU 76 10.784 2.490 -2.911 588 HB2 LEU 76 HB2 LEU 76 10.166 1.007 -5.473 589 HB3 LEU 76 HB3 LEU 76 9.254 0.702 -4.010 590 HG LEU 76 HG LEU 76 9.498 3.437 -5.336 591 HD11 LEU 76 HD11 LEU 76 8.167 1.869 -6.700 592 HD12 LEU 76 HD12 LEU 76 7.119 3.091 -5.970 593 HD13 LEU 76 HD13 LEU 76 7.160 1.457 -5.292 594 HD21 LEU 76 HD21 LEU 76 7.849 2.409 -3.008 595 HD22 LEU 76 HD22 LEU 76 7.534 3.956 -3.799 596 HD23 LEU 76 HD23 LEU 76 9.055 3.718 -2.949 597 H ALA 77 H ALA 77 12.590 -0.021 -4.699 598 HA ALA 77 HA ALA 77 12.297 -2.102 -2.763 599 HB1 ALA 77 HB1 ALA 77 14.656 -1.435 -4.584 600 HB2 ALA 77 HB2 ALA 77 14.535 -2.899 -3.589 601 HB3 ALA 77 HB3 ALA 77 13.357 -2.613 -4.863 602 H ALA 78 H ALA 78 14.984 0.379 -3.019 603 HA ALA 78 HA ALA 78 16.275 -0.460 -0.646 604 HB1 ALA 78 HB1 ALA 78 17.449 0.808 -2.290 605 HB2 ALA 78 HB2 ALA 78 16.370 2.224 -2.055 606 HB3 ALA 78 HB3 ALA 78 17.470 1.702 -0.762 607 H ILE 79 H ILE 79 13.887 2.108 -1.108 608 HA ILE 79 HA ILE 79 13.878 3.422 1.335 609 HB ILE 79 HB ILE 79 11.752 2.797 -0.726 610 HG12 ILE 79 HG12 ILE 79 13.010 5.450 0.080 611 HG13 ILE 79 HG13 ILE 79 13.745 4.408 -1.123 612 HG21 ILE 79 HG21 ILE 79 11.391 4.560 1.710 613 HG22 ILE 79 HG22 ILE 79 10.274 4.506 0.320 614 HG23 ILE 79 HG23 ILE 79 10.470 3.081 1.327 615 HD11 ILE 79 HD11 ILE 79 11.629 4.525 -2.476 616 HD12 ILE 79 HD12 ILE 79 11.017 5.742 -1.337 617 HD13 ILE 79 HD13 ILE 79 12.468 6.077 -2.284 618 H ALA 80 H ALA 80 12.436 0.279 0.602 619 HA ALA 80 HA ALA 80 11.451 0.103 3.435 620 HB1 ALA 80 HB1 ALA 80 10.092 -1.819 2.486 621 HB2 ALA 80 HB2 ALA 80 9.688 -0.214 1.856 622 HB3 ALA 80 HB3 ALA 80 10.668 -1.306 0.875 623 H ALA 81 H ALA 81 13.742 -1.352 1.164 624 HA ALA 81 HA ALA 81 14.082 -3.826 2.285 625 HB1 ALA 81 HB1 ALA 81 16.376 -3.703 1.343 626 HB2 ALA 81 HB2 ALA 81 15.054 -3.361 0.250 627 HB3 ALA 81 HB3 ALA 81 16.044 -2.021 0.920 628 HA PRO 82 HA PRO 82 16.487 -5.196 2.692 629 HB2 PRO 82 HB2 PRO 82 17.053 -6.890 4.684 630 HB3 PRO 82 HB3 PRO 82 18.179 -5.618 4.147 631 HG2 PRO 82 HG2 PRO 82 16.209 -5.477 6.462 632 HG3 PRO 82 HG3 PRO 82 17.972 -5.139 6.497 633 HD2 PRO 82 HD2 PRO 82 16.145 -3.159 6.191 634 HD3 PRO 82 HD3 PRO 82 17.674 -3.119 5.272 635 H ALA 83 H ALA 83 13.719 -4.349 4.182 636 HA ALA 83 HA ALA 83 12.439 -6.887 4.676 637 HB1 ALA 83 HB1 ALA 83 10.354 -5.551 4.701 638 HB2 ALA 83 HB2 ALA 83 11.611 -4.725 5.633 639 HB3 ALA 83 HB3 ALA 83 11.194 -4.184 3.985 640 H GLU 84 H GLU 84 10.395 -7.463 3.389 641 HA GLU 84 HA GLU 84 11.104 -7.675 0.502 642 HB2 GLU 84 HB2 GLU 84 9.050 -9.061 2.250 643 HB3 GLU 84 HB3 GLU 84 9.064 -9.213 0.503 644 HG2 GLU 84 HG2 GLU 84 11.390 -10.016 0.554 645 HG3 GLU 84 HG3 GLU 84 11.404 -9.914 2.315 646 H ILE 85 H ILE 85 9.761 -6.774 -1.129 647 HA ILE 85 HA ILE 85 7.500 -5.136 -0.219 648 HB ILE 85 HB ILE 85 8.262 -3.641 -2.233 649 HG12 ILE 85 HG12 ILE 85 10.390 -5.092 -2.597 650 HG13 ILE 85 HG13 ILE 85 10.464 -3.340 -2.698 651 HG21 ILE 85 HG21 ILE 85 9.258 -3.492 0.623 652 HG22 ILE 85 HG22 ILE 85 9.332 -2.161 -0.556 653 HG23 ILE 85 HG23 ILE 85 7.766 -2.817 -0.073 654 HD11 ILE 85 HD11 ILE 85 11.284 -4.879 -0.210 655 HD12 ILE 85 HD12 ILE 85 12.402 -4.340 -1.478 656 HD13 ILE 85 HD13 ILE 85 11.511 -3.153 -0.517 657 H PHE 86 H PHE 86 5.728 -5.300 -1.431 658 HA PHE 86 HA PHE 86 5.852 -6.830 -3.986 659 HB2 PHE 86 HB2 PHE 86 3.725 -7.087 -1.845 660 HB3 PHE 86 HB3 PHE 86 3.801 -7.926 -3.386 661 HD1 PHE 86 HD1 PHE 86 4.955 -7.989 0.075 662 HD2 PHE 86 HD2 PHE 86 5.579 -9.581 -3.878 663 HE1 PHE 86 HE1 PHE 86 6.243 -9.878 1.037 664 HE2 PHE 86 HE2 PHE 86 6.877 -11.458 -2.914 665 HZ PHE 86 HZ PHE 86 7.183 -11.614 -0.435 666 H LEU 87 H LEU 87 3.704 -6.456 -5.257 667 HA LEU 87 HA LEU 87 2.764 -3.622 -4.976 668 HB2 LEU 87 HB2 LEU 87 3.584 -5.152 -7.460 669 HB3 LEU 87 HB3 LEU 87 2.870 -3.539 -7.486 670 HG LEU 87 HG LEU 87 5.591 -4.309 -6.339 671 HD11 LEU 87 HD11 LEU 87 5.606 -4.513 -8.719 672 HD12 LEU 87 HD12 LEU 87 6.445 -3.017 -8.315 673 HD13 LEU 87 HD13 LEU 87 4.782 -2.966 -8.948 674 HD21 LEU 87 HD21 LEU 87 4.025 -1.774 -6.186 675 HD22 LEU 87 HD22 LEU 87 5.753 -1.620 -6.592 676 HD23 LEU 87 HD23 LEU 87 5.236 -2.445 -5.111 677 H LEU 88 H LEU 88 0.790 -3.142 -6.012 678 HA LEU 88 HA LEU 88 -1.144 -5.401 -6.319 679 HB2 LEU 88 HB2 LEU 88 -1.282 -2.833 -4.855 680 HB3 LEU 88 HB3 LEU 88 -2.597 -3.013 -5.996 681 HG LEU 88 HG LEU 88 -3.004 -5.342 -5.001 682 HD11 LEU 88 HD11 LEU 88 -1.372 -4.118 -2.736 683 HD12 LEU 88 HD12 LEU 88 -0.968 -5.588 -3.655 684 HD13 LEU 88 HD13 LEU 88 -2.403 -5.547 -2.610 685 HD21 LEU 88 HD21 LEU 88 -3.541 -2.802 -3.415 686 HD22 LEU 88 HD22 LEU 88 -4.332 -4.357 -3.115 687 HD23 LEU 88 HD23 LEU 88 -4.568 -3.547 -4.662 688 H GLU 89 H GLU 89 -1.397 -5.809 -8.531 689 HA GLU 89 HA GLU 89 -0.970 -3.899 -10.575 690 HB2 GLU 89 HB2 GLU 89 -2.226 -6.655 -10.392 691 HB3 GLU 89 HB3 GLU 89 -2.260 -5.742 -11.901 692 HG2 GLU 89 HG2 GLU 89 0.282 -6.335 -10.365 693 HG3 GLU 89 HG3 GLU 89 -0.329 -7.353 -11.660 694 H ASP 90 H ASP 90 -4.026 -5.261 -9.199 695 HA ASP 90 HA ASP 90 -5.758 -3.702 -10.835 696 HB2 ASP 90 HB2 ASP 90 -6.130 -5.813 -9.246 697 HB3 ASP 90 HB3 ASP 90 -6.589 -4.590 -8.083 698 H GLY 91 H GLY 91 -3.779 -2.721 -8.272 699 HA2 GLY 91 HA2 GLY 91 -3.432 -0.621 -7.336 700 HA3 GLY 91 HA3 GLY 91 -4.852 -0.013 -8.202 701 H ILE 92 H ILE 92 -4.828 0.923 -5.753 702 HA ILE 92 HA ILE 92 -5.806 -0.756 -3.667 703 HB ILE 92 HB ILE 92 -4.722 1.466 -3.468 704 HG12 ILE 92 HG12 ILE 92 -6.109 0.265 -1.643 705 HG13 ILE 92 HG13 ILE 92 -5.473 1.878 -1.417 706 HG21 ILE 92 HG21 ILE 92 -5.989 2.678 -5.157 707 HG22 ILE 92 HG22 ILE 92 -7.439 2.634 -4.155 708 HG23 ILE 92 HG23 ILE 92 -6.005 3.518 -3.591 709 HD11 ILE 92 HD11 ILE 92 -8.375 1.311 -2.141 710 HD12 ILE 92 HD12 ILE 92 -7.760 1.652 -0.516 711 HD13 ILE 92 HD13 ILE 92 -7.661 2.893 -1.763 712 H ASP 93 H ASP 93 -7.278 0.625 -6.443 713 HA ASP 93 HA ASP 93 -10.042 0.673 -5.844 714 HB2 ASP 93 HB2 ASP 93 -9.134 1.641 -7.858 715 HB3 ASP 93 HB3 ASP 93 -8.389 0.127 -8.327 716 H GLY 94 H GLY 94 -7.861 -2.042 -6.789 717 HA2 GLY 94 HA2 GLY 94 -9.769 -4.112 -7.010 718 HA3 GLY 94 HA3 GLY 94 -8.072 -4.295 -6.575 719 H TRP 95 H TRP 95 -8.457 -2.511 -4.146 720 HA TRP 95 HA TRP 95 -9.090 -4.601 -2.276 721 HB2 TRP 95 HB2 TRP 95 -7.570 -2.452 -2.024 722 HB3 TRP 95 HB3 TRP 95 -9.120 -1.680 -1.619 723 HD1 TRP 95 HD1 TRP 95 -10.253 -2.544 0.736 724 HE1 TRP 95 HE1 TRP 95 -9.401 -3.780 2.731 725 HE3 TRP 95 HE3 TRP 95 -5.869 -4.212 -1.278 726 HZ2 TRP 95 HZ2 TRP 95 -7.006 -5.365 3.446 727 HZ3 TRP 95 HZ3 TRP 95 -4.309 -5.604 0.100 728 HH2 TRP 95 HH2 TRP 95 -4.873 -6.149 2.451 729 H LYS 96 H LYS 96 -11.033 -2.619 -4.132 730 HA LYS 96 HA LYS 96 -13.379 -2.836 -2.273 731 HB2 LYS 96 HB2 LYS 96 -13.178 -1.183 -4.841 732 HB3 LYS 96 HB3 LYS 96 -14.473 -1.125 -3.634 733 HG2 LYS 96 HG2 LYS 96 -12.904 -0.214 -1.952 734 HG3 LYS 96 HG3 LYS 96 -11.564 -0.398 -3.060 735 HD2 LYS 96 HD2 LYS 96 -11.987 1.853 -3.223 736 HD3 LYS 96 HD3 LYS 96 -12.751 1.189 -4.649 737 HE2 LYS 96 HE2 LYS 96 -14.158 2.889 -3.666 738 HE3 LYS 96 HE3 LYS 96 -14.976 1.331 -3.507 739 HZ1 LYS 96 HZ1 LYS 96 -13.315 2.398 -1.326 740 HZ2 LYS 96 HZ2 LYS 96 -14.519 1.291 -1.210 741 HZ3 LYS 96 HZ3 LYS 96 -14.864 2.891 -1.458 742 H LYS 97 H LYS 97 -12.488 -3.387 -5.691 743 HA LYS 97 HA LYS 97 -14.703 -4.873 -6.484 744 HB2 LYS 97 HB2 LYS 97 -13.076 -4.033 -8.021 745 HB3 LYS 97 HB3 LYS 97 -11.795 -5.036 -7.325 746 HG2 LYS 97 HG2 LYS 97 -13.028 -7.072 -8.180 747 HG3 LYS 97 HG3 LYS 97 -14.146 -5.989 -9.012 748 HD2 LYS 97 HD2 LYS 97 -11.121 -6.025 -9.375 749 HD3 LYS 97 HD3 LYS 97 -12.243 -6.878 -10.439 750 HE2 LYS 97 HE2 LYS 97 -13.033 -4.879 -11.401 751 HE3 LYS 97 HE3 LYS 97 -12.602 -3.925 -9.992 752 HZ1 LYS 97 HZ1 LYS 97 -10.756 -4.880 -12.075 753 HZ2 LYS 97 HZ2 LYS 97 -10.204 -4.363 -10.595 754 HZ3 LYS 97 HZ3 LYS 97 -11.076 -3.357 -11.539 755 H ALA 98 H ALA 98 -11.696 -6.198 -4.955 756 HA ALA 98 HA ALA 98 -12.541 -8.916 -5.216 757 HB1 ALA 98 HB1 ALA 98 -10.636 -8.048 -3.042 758 HB2 ALA 98 HB2 ALA 98 -10.660 -9.500 -4.030 759 HB3 ALA 98 HB3 ALA 98 -10.165 -7.943 -4.735 760 H GLY 99 H GLY 99 -13.475 -6.438 -3.047 761 HA2 GLY 99 HA2 GLY 99 -15.484 -6.466 -1.766 762 HA3 GLY 99 HA3 GLY 99 -15.419 -8.223 -1.670 763 H LEU 100 H LEU 100 -12.518 -6.408 -0.951 764 HA LEU 100 HA LEU 100 -12.358 -7.490 1.750 765 HB2 LEU 100 HB2 LEU 100 -10.625 -5.535 0.210 766 HB3 LEU 100 HB3 LEU 100 -10.211 -6.142 1.779 767 HG LEU 100 HG LEU 100 -10.575 -7.914 -0.664 768 HD11 LEU 100 HD11 LEU 100 -8.152 -8.089 -0.686 769 HD12 LEU 100 HD12 LEU 100 -8.022 -7.021 0.723 770 HD13 LEU 100 HD13 LEU 100 -8.623 -6.386 -0.814 771 HD21 LEU 100 HD21 LEU 100 -9.247 -9.523 0.900 772 HD22 LEU 100 HD22 LEU 100 -10.985 -9.312 1.182 773 HD23 LEU 100 HD23 LEU 100 -9.810 -8.476 2.209 774 HA PRO 101 HA PRO 101 -14.068 -4.085 4.029 775 HB2 PRO 101 HB2 PRO 101 -12.606 -3.993 6.343 776 HB3 PRO 101 HB3 PRO 101 -13.661 -5.388 5.924 777 HG2 PRO 101 HG2 PRO 101 -10.677 -5.057 5.489 778 HG3 PRO 101 HG3 PRO 101 -11.517 -6.432 6.278 779 HD2 PRO 101 HD2 PRO 101 -10.790 -6.537 3.690 780 HD3 PRO 101 HD3 PRO 101 -12.346 -7.230 4.212 781 H VAL 102 H VAL 102 -13.609 -1.970 5.119 782 HA VAL 102 HA VAL 102 -11.123 -0.581 4.339 783 HB VAL 102 HB VAL 102 -12.764 1.437 3.850 784 HG11 VAL 102 HG11 VAL 102 -12.627 0.907 1.428 785 HG12 VAL 102 HG12 VAL 102 -11.100 0.647 2.290 786 HG13 VAL 102 HG13 VAL 102 -12.110 -0.740 1.842 787 HG21 VAL 102 HG21 VAL 102 -14.761 0.931 2.663 788 HG22 VAL 102 HG22 VAL 102 -14.571 -0.808 2.964 789 HG23 VAL 102 HG23 VAL 102 -14.837 0.338 4.324 790 H ALA 103 H ALA 103 -11.029 1.608 5.399 791 HA ALA 103 HA ALA 103 -12.105 1.511 8.185 792 HB1 ALA 103 HB1 ALA 103 -9.673 1.251 8.084 793 HB2 ALA 103 HB2 ALA 103 -9.523 2.662 7.013 794 HB3 ALA 103 HB3 ALA 103 -10.070 2.865 8.688 795 H VAL 104 H VAL 104 -14.065 2.484 6.836 796 HA VAL 104 HA VAL 104 -13.627 5.275 5.945 797 HB VAL 104 HB VAL 104 -16.157 5.165 5.599 798 HG11 VAL 104 HG11 VAL 104 -14.464 3.146 4.069 799 HG12 VAL 104 HG12 VAL 104 -16.013 3.831 3.540 800 HG13 VAL 104 HG13 VAL 104 -14.605 4.873 3.725 801 HG21 VAL 104 HG21 VAL 104 -15.764 2.179 5.842 802 HG22 VAL 104 HG22 VAL 104 -16.476 3.186 7.150 803 HG23 VAL 104 HG23 VAL 104 -17.273 3.083 5.582 804 H ASN 105 H ASN 105 -15.538 6.759 6.907 805 HA ASN 105 HA ASN 105 -15.723 6.439 9.854 806 HB2 ASN 105 HB2 ASN 105 -13.722 7.904 9.047 807 HB3 ASN 105 HB3 ASN 105 -14.946 9.089 8.630 808 HD21 ASN 105 HD21 ASN 105 -12.775 8.725 10.952 809 HD22 ASN 105 HD22 ASN 105 -13.730 9.019 12.397 810 H LYS 106 H LYS 106 -17.665 5.707 8.254 811 HA LYS 106 HA LYS 106 -19.750 7.773 8.547 812 HB2 LYS 106 HB2 LYS 106 -18.814 7.960 6.242 813 HB3 LYS 106 HB3 LYS 106 -19.211 6.264 5.943 814 HG2 LYS 106 HG2 LYS 106 -21.628 6.787 6.274 815 HG3 LYS 106 HG3 LYS 106 -21.197 8.471 6.644 816 HD2 LYS 106 HD2 LYS 106 -20.100 8.590 4.337 817 HD3 LYS 106 HD3 LYS 106 -20.750 6.986 4.009 818 HE2 LYS 106 HE2 LYS 106 -22.143 8.694 3.002 819 HE3 LYS 106 HE3 LYS 106 -23.059 7.848 4.252 820 HZ1 LYS 106 HZ1 LYS 106 -21.658 10.315 4.981 821 HZ2 LYS 106 HZ2 LYS 106 -23.069 9.704 5.571 822 HZ3 LYS 106 HZ3 LYS 106 -23.050 10.431 4.099 823 H SER 107 H SER 107 -20.784 6.618 10.144 824 HA SER 107 HA SER 107 -20.969 3.711 10.133 825 HB2 SER 107 HB2 SER 107 -22.269 5.920 11.779 826 HB3 SER 107 HB3 SER 107 -22.608 4.197 12.023 827 HG SER 107 HG SER 107 -19.949 5.258 12.045 828 H GLN 108 H GLN 108 -21.961 2.997 8.238 829 HA GLN 108 HA GLN 108 -24.280 4.192 7.073 830 HB2 GLN 108 HB2 GLN 108 -24.396 2.221 5.666 831 HB3 GLN 108 HB3 GLN 108 -22.758 2.792 5.783 832 HG2 GLN 108 HG2 GLN 108 -22.584 0.474 5.832 833 HG3 GLN 108 HG3 GLN 108 -22.323 0.952 7.503 834 HE21 GLN 108 HE21 GLN 108 -23.225 -0.661 8.818 835 HE22 GLN 108 HE22 GLN 108 -24.762 -1.438 8.509 Start of MODEL 14 1 H ALA 1 H ALA 1 13.673 -9.757 -3.962 2 HA ALA 1 HA ALA 1 11.287 -9.514 -3.560 3 HB1 ALA 1 HB1 ALA 1 12.778 -7.888 -2.392 4 HB2 ALA 1 HB2 ALA 1 12.552 -6.759 -3.736 5 HB3 ALA 1 HB3 ALA 1 11.178 -7.304 -2.719 6 H LEU 2 H LEU 2 10.546 -6.725 -4.448 7 HA LEU 2 HA LEU 2 8.653 -6.079 -5.570 8 HB2 LEU 2 HB2 LEU 2 11.142 -6.145 -7.203 9 HB3 LEU 2 HB3 LEU 2 9.725 -5.229 -7.777 10 HG LEU 2 HG LEU 2 11.208 -4.772 -5.134 11 HD11 LEU 2 HD11 LEU 2 11.983 -2.661 -6.424 12 HD12 LEU 2 HD12 LEU 2 11.494 -3.537 -7.870 13 HD13 LEU 2 HD13 LEU 2 12.733 -4.207 -6.800 14 HD21 LEU 2 HD21 LEU 2 8.948 -4.012 -4.870 15 HD22 LEU 2 HD22 LEU 2 8.939 -3.261 -6.469 16 HD23 LEU 2 HD23 LEU 2 9.947 -2.584 -5.166 17 H THR 3 H THR 3 7.316 -7.947 -5.583 18 HA THR 3 HA THR 3 6.960 -9.088 -8.297 19 HB THR 3 HB THR 3 6.518 -10.448 -5.628 20 HG1 THR 3 HG1 THR 3 8.412 -11.210 -5.845 21 HG21 THR 3 HG21 THR 3 6.196 -11.505 -8.467 22 HG22 THR 3 HG22 THR 3 4.914 -11.309 -7.251 23 HG23 THR 3 HG23 THR 3 6.184 -12.510 -7.003 24 H THR 4 H THR 4 4.847 -9.142 -9.046 25 HA THR 4 HA THR 4 2.950 -7.367 -7.730 26 HB THR 4 HB THR 4 1.937 -8.046 -10.193 27 HG1 THR 4 HG1 THR 4 3.540 -8.330 -11.649 28 HG21 THR 4 HG21 THR 4 3.018 -6.032 -11.086 29 HG22 THR 4 HG22 THR 4 4.211 -6.063 -9.768 30 HG23 THR 4 HG23 THR 4 2.488 -5.761 -9.416 31 H ILE 5 H ILE 5 1.066 -8.275 -6.763 32 HA ILE 5 HA ILE 5 0.663 -11.205 -7.145 33 HB ILE 5 HB ILE 5 0.226 -11.580 -4.897 34 HG12 ILE 5 HG12 ILE 5 -0.999 -9.669 -4.161 35 HG13 ILE 5 HG13 ILE 5 0.332 -9.936 -3.088 36 HG21 ILE 5 HG21 ILE 5 2.596 -11.507 -5.622 37 HG22 ILE 5 HG22 ILE 5 2.754 -9.895 -4.909 38 HG23 ILE 5 HG23 ILE 5 2.356 -11.319 -3.893 39 HD11 ILE 5 HD11 ILE 5 0.130 -7.562 -3.437 40 HD12 ILE 5 HD12 ILE 5 1.574 -8.044 -4.336 41 HD13 ILE 5 HD13 ILE 5 0.036 -7.745 -5.186 42 H SER 6 H SER 6 -1.509 -11.970 -6.207 43 HA SER 6 HA SER 6 -3.548 -10.903 -7.812 44 HB2 SER 6 HB2 SER 6 -4.280 -12.445 -5.349 45 HB3 SER 6 HB3 SER 6 -4.768 -12.712 -7.023 46 HG SER 6 HG SER 6 -3.072 -14.056 -5.632 47 HA PRO 7 HA PRO 7 -5.100 -7.557 -5.381 48 HB2 PRO 7 HB2 PRO 7 -7.884 -7.790 -5.569 49 HB3 PRO 7 HB3 PRO 7 -6.808 -7.081 -6.795 50 HG2 PRO 7 HG2 PRO 7 -7.906 -9.896 -6.651 51 HG3 PRO 7 HG3 PRO 7 -7.790 -8.820 -8.080 52 HD2 PRO 7 HD2 PRO 7 -5.983 -10.794 -7.640 53 HD3 PRO 7 HD3 PRO 7 -5.435 -9.210 -8.263 54 H HIS 8 H HIS 8 -6.072 -10.774 -4.545 55 HA HIS 8 HA HIS 8 -7.032 -9.954 -1.873 56 HB2 HIS 8 HB2 HIS 8 -8.257 -11.469 -3.648 57 HB3 HIS 8 HB3 HIS 8 -7.135 -12.717 -3.109 58 HD1 HIS 8 HD1 HIS 8 -8.807 -14.189 -1.847 59 HD2 HIS 8 HD2 HIS 8 -9.204 -10.081 -1.062 60 HE1 HIS 8 HE1 HIS 8 -10.638 -13.964 -0.059 61 H ASP 9 H ASP 9 -4.359 -11.584 -3.503 62 HA ASP 9 HA ASP 9 -3.370 -13.128 -1.322 63 HB2 ASP 9 HB2 ASP 9 -2.280 -12.117 -3.929 64 HB3 ASP 9 HB3 ASP 9 -1.096 -12.459 -2.679 65 H ALA 10 H ALA 10 -2.977 -9.719 -2.187 66 HA ALA 10 HA ALA 10 -0.809 -9.083 -0.486 67 HB1 ALA 10 HB1 ALA 10 -3.254 -7.382 -1.178 68 HB2 ALA 10 HB2 ALA 10 -1.716 -6.806 -0.480 69 HB3 ALA 10 HB3 ALA 10 -1.749 -7.497 -2.125 70 H GLN 11 H GLN 11 -4.371 -9.043 0.224 71 HA GLN 11 HA GLN 11 -4.357 -8.183 2.831 72 HB2 GLN 11 HB2 GLN 11 -6.257 -8.577 1.229 73 HB3 GLN 11 HB3 GLN 11 -6.152 -10.283 1.568 74 HG2 GLN 11 HG2 GLN 11 -6.198 -8.670 4.037 75 HG3 GLN 11 HG3 GLN 11 -7.556 -8.365 2.983 76 HE21 GLN 11 HE21 GLN 11 -9.125 -9.421 4.400 77 HE22 GLN 11 HE22 GLN 11 -9.099 -11.161 4.621 78 H GLU 12 H GLU 12 -4.258 -11.491 1.578 79 HA GLU 12 HA GLU 12 -4.101 -12.949 4.001 80 HB2 GLU 12 HB2 GLU 12 -4.420 -13.743 1.585 81 HB3 GLU 12 HB3 GLU 12 -2.684 -13.572 1.382 82 HG2 GLU 12 HG2 GLU 12 -2.301 -15.216 3.177 83 HG3 GLU 12 HG3 GLU 12 -4.054 -15.354 3.423 84 H LEU 13 H LEU 13 -1.423 -11.386 2.175 85 HA LEU 13 HA LEU 13 0.558 -12.570 3.958 86 HB2 LEU 13 HB2 LEU 13 0.747 -10.205 2.072 87 HB3 LEU 13 HB3 LEU 13 2.118 -10.925 2.924 88 HG LEU 13 HG LEU 13 0.357 -12.417 0.925 89 HD11 LEU 13 HD11 LEU 13 3.139 -11.228 0.600 90 HD12 LEU 13 HD12 LEU 13 1.623 -10.634 -0.111 91 HD13 LEU 13 HD13 LEU 13 2.258 -12.213 -0.601 92 HD21 LEU 13 HD21 LEU 13 1.369 -13.959 2.506 93 HD22 LEU 13 HD22 LEU 13 2.973 -13.238 2.232 94 HD23 LEU 13 HD23 LEU 13 2.133 -14.113 0.928 95 H ILE 14 H ILE 14 -1.022 -9.352 3.763 96 HA ILE 14 HA ILE 14 0.306 -8.224 6.002 97 HB ILE 14 HB ILE 14 -2.490 -7.623 4.981 98 HG12 ILE 14 HG12 ILE 14 -0.153 -5.826 4.349 99 HG13 ILE 14 HG13 ILE 14 -0.204 -7.337 3.491 100 HG21 ILE 14 HG21 ILE 14 -2.285 -6.571 7.115 101 HG22 ILE 14 HG22 ILE 14 -0.582 -6.142 6.829 102 HG23 ILE 14 HG23 ILE 14 -1.847 -5.305 5.946 103 HD11 ILE 14 HD11 ILE 14 -2.521 -6.877 2.739 104 HD12 ILE 14 HD12 ILE 14 -2.483 -5.322 3.587 105 HD13 ILE 14 HD13 ILE 14 -1.390 -5.626 2.206 106 H ALA 15 H ALA 15 -2.668 -10.113 5.730 107 HA ALA 15 HA ALA 15 -3.584 -10.022 8.336 108 HB1 ALA 15 HB1 ALA 15 -4.882 -10.883 6.433 109 HB2 ALA 15 HB2 ALA 15 -3.773 -12.270 6.279 110 HB3 ALA 15 HB3 ALA 15 -4.771 -12.096 7.718 111 H ARG 16 H ARG 16 -1.126 -12.125 6.876 112 HA ARG 16 HA ARG 16 -0.839 -13.804 9.281 113 HB2 ARG 16 HB2 ARG 16 0.812 -13.507 6.755 114 HB3 ARG 16 HB3 ARG 16 1.107 -14.723 7.992 115 HG2 ARG 16 HG2 ARG 16 -0.919 -15.924 7.468 116 HG3 ARG 16 HG3 ARG 16 -1.589 -14.603 6.560 117 HD2 ARG 16 HD2 ARG 16 0.222 -14.716 4.917 118 HD3 ARG 16 HD3 ARG 16 1.031 -15.989 5.859 119 HE ARG 16 HE ARG 16 -1.477 -17.001 5.232 120 HH11 ARG 16 HH11 ARG 16 1.366 -15.765 3.548 121 HH12 ARG 16 HH12 ARG 16 1.261 -16.859 2.196 122 HH21 ARG 16 HH21 ARG 16 -1.569 -18.608 3.446 123 HH22 ARG 16 HH22 ARG 16 -0.283 -18.591 2.302 124 H GLY 17 H GLY 17 0.556 -10.787 8.054 125 HA2 GLY 17 HA2 GLY 17 1.658 -9.878 10.306 126 HA3 GLY 17 HA3 GLY 17 2.913 -11.012 9.811 127 H ALA 18 H ALA 18 1.948 -10.012 6.831 128 HA ALA 18 HA ALA 18 4.189 -8.244 6.573 129 HB1 ALA 18 HB1 ALA 18 3.265 -9.803 4.788 130 HB2 ALA 18 HB2 ALA 18 1.955 -8.636 4.539 131 HB3 ALA 18 HB3 ALA 18 3.624 -8.154 4.238 132 H LYS 19 H LYS 19 3.401 -6.104 4.969 133 HA LYS 19 HA LYS 19 1.338 -4.640 6.492 134 HB2 LYS 19 HB2 LYS 19 4.162 -4.239 6.919 135 HB3 LYS 19 HB3 LYS 19 3.615 -2.887 5.974 136 HG2 LYS 19 HG2 LYS 19 3.478 -2.493 8.407 137 HG3 LYS 19 HG3 LYS 19 1.917 -2.309 7.578 138 HD2 LYS 19 HD2 LYS 19 1.053 -4.209 8.602 139 HD3 LYS 19 HD3 LYS 19 2.669 -4.846 9.020 140 HE2 LYS 19 HE2 LYS 19 2.252 -2.135 10.098 141 HE3 LYS 19 HE3 LYS 19 0.976 -3.243 10.634 142 HZ1 LYS 19 HZ1 LYS 19 3.891 -3.586 11.039 143 HZ2 LYS 19 HZ2 LYS 19 2.750 -4.753 11.373 144 HZ3 LYS 19 HZ3 LYS 19 2.742 -3.305 12.160 145 H LEU 20 H LEU 20 0.804 -2.513 5.568 146 HA LEU 20 HA LEU 20 1.004 -2.574 2.599 147 HB2 LEU 20 HB2 LEU 20 -1.179 -3.296 3.872 148 HB3 LEU 20 HB3 LEU 20 -1.342 -1.670 4.282 149 HG LEU 20 HG LEU 20 -1.695 -0.922 2.113 150 HD11 LEU 20 HD11 LEU 20 -1.696 -2.443 0.128 151 HD12 LEU 20 HD12 LEU 20 -0.808 -3.642 1.117 152 HD13 LEU 20 HD13 LEU 20 -0.115 -2.048 0.746 153 HD21 LEU 20 HD21 LEU 20 -3.720 -2.115 1.479 154 HD22 LEU 20 HD22 LEU 20 -3.600 -2.182 3.241 155 HD23 LEU 20 HD23 LEU 20 -3.162 -3.591 2.276 156 H ILE 21 H ILE 21 1.894 -0.737 1.768 157 HA ILE 21 HA ILE 21 1.508 1.821 3.287 158 HB ILE 21 HB ILE 21 3.950 0.807 1.845 159 HG12 ILE 21 HG12 ILE 21 5.184 1.635 3.719 160 HG13 ILE 21 HG13 ILE 21 3.771 2.440 4.410 161 HG21 ILE 21 HG21 ILE 21 3.142 3.691 2.255 162 HG22 ILE 21 HG22 ILE 21 4.837 3.200 2.005 163 HG23 ILE 21 HG23 ILE 21 3.626 2.918 0.759 164 HD11 ILE 21 HD11 ILE 21 2.844 0.426 5.158 165 HD12 ILE 21 HD12 ILE 21 3.889 -0.574 4.107 166 HD13 ILE 21 HD13 ILE 21 4.579 0.276 5.497 167 H ASP 22 H ASP 22 0.418 3.297 2.336 168 HA ASP 22 HA ASP 22 -0.467 3.075 -0.448 169 HB2 ASP 22 HB2 ASP 22 -1.794 5.168 0.380 170 HB3 ASP 22 HB3 ASP 22 -2.349 3.564 0.832 171 H ILE 23 H ILE 23 1.083 3.831 -1.756 172 HA ILE 23 HA ILE 23 2.562 6.288 -1.046 173 HB ILE 23 HB ILE 23 3.802 5.937 -3.111 174 HG12 ILE 23 HG12 ILE 23 2.096 3.433 -3.525 175 HG13 ILE 23 HG13 ILE 23 2.049 4.892 -4.518 176 HG21 ILE 23 HG21 ILE 23 4.417 4.854 -0.927 177 HG22 ILE 23 HG22 ILE 23 3.611 3.378 -1.497 178 HG23 ILE 23 HG23 ILE 23 5.049 4.004 -2.340 179 HD11 ILE 23 HD11 ILE 23 4.505 4.494 -5.044 180 HD12 ILE 23 HD12 ILE 23 4.295 2.881 -4.302 181 HD13 ILE 23 HD13 ILE 23 3.331 3.360 -5.715 182 H ARG 24 H ARG 24 -0.224 6.477 -1.184 183 HA ARG 24 HA ARG 24 -1.070 7.727 -3.704 184 HB2 ARG 24 HB2 ARG 24 -2.538 7.456 -1.023 185 HB3 ARG 24 HB3 ARG 24 -3.226 7.992 -2.567 186 HG2 ARG 24 HG2 ARG 24 -2.547 5.735 -3.515 187 HG3 ARG 24 HG3 ARG 24 -2.235 5.199 -1.869 188 HD2 ARG 24 HD2 ARG 24 -4.869 6.204 -3.016 189 HD3 ARG 24 HD3 ARG 24 -4.470 4.520 -2.652 190 HE ARG 24 HE ARG 24 -4.165 5.691 -0.199 191 HH11 ARG 24 HH11 ARG 24 -6.841 5.773 -2.549 192 HH12 ARG 24 HH12 ARG 24 -8.032 6.113 -1.355 193 HH21 ARG 24 HH21 ARG 24 -5.731 6.164 1.326 194 HH22 ARG 24 HH22 ARG 24 -7.422 6.292 0.917 195 H ASP 25 H ASP 25 -2.521 9.602 -1.358 196 HA ASP 25 HA ASP 25 -0.329 11.493 -1.020 197 HB2 ASP 25 HB2 ASP 25 -2.915 12.091 -2.504 198 HB3 ASP 25 HB3 ASP 25 -2.036 13.344 -1.635 199 H ALA 26 H ALA 26 -0.816 12.934 0.727 200 HA ALA 26 HA ALA 26 -1.995 11.743 2.951 201 HB1 ALA 26 HB1 ALA 26 -1.881 13.979 4.000 202 HB2 ALA 26 HB2 ALA 26 -0.403 13.591 3.101 203 HB3 ALA 26 HB3 ALA 26 -1.603 14.718 2.411 204 H ASP 27 H ASP 27 -3.566 14.007 0.644 205 HA ASP 27 HA ASP 27 -5.948 14.462 2.069 206 HB2 ASP 27 HB2 ASP 27 -5.709 14.147 -0.946 207 HB3 ASP 27 HB3 ASP 27 -6.988 14.982 -0.070 208 H GLU 28 H GLU 28 -4.945 11.542 0.265 209 HA GLU 28 HA GLU 28 -7.646 10.547 -0.042 210 HB2 GLU 28 HB2 GLU 28 -4.968 9.085 -0.124 211 HB3 GLU 28 HB3 GLU 28 -6.542 8.442 -0.587 212 HG2 GLU 28 HG2 GLU 28 -5.268 10.833 -1.959 213 HG3 GLU 28 HG3 GLU 28 -5.140 9.173 -2.513 214 H TYR 29 H TYR 29 -4.992 10.111 2.308 215 HA TYR 29 HA TYR 29 -6.229 8.113 3.875 216 HB2 TYR 29 HB2 TYR 29 -3.862 8.540 4.061 217 HB3 TYR 29 HB3 TYR 29 -4.124 10.204 4.510 218 HD1 TYR 29 HD1 TYR 29 -4.380 10.834 6.818 219 HD2 TYR 29 HD2 TYR 29 -4.391 6.663 5.686 220 HE1 TYR 29 HE1 TYR 29 -4.052 10.194 9.163 221 HE2 TYR 29 HE2 TYR 29 -4.096 6.020 8.025 222 HH TYR 29 HH TYR 29 -4.046 8.422 10.686 223 H LEU 30 H LEU 30 -6.555 11.638 3.976 224 HA LEU 30 HA LEU 30 -8.060 11.716 6.453 225 HB2 LEU 30 HB2 LEU 30 -7.617 13.672 4.166 226 HB3 LEU 30 HB3 LEU 30 -8.872 13.962 5.356 227 HG LEU 30 HG LEU 30 -7.107 13.683 7.184 228 HD11 LEU 30 HD11 LEU 30 -5.214 14.140 4.831 229 HD12 LEU 30 HD12 LEU 30 -5.305 12.651 5.791 230 HD13 LEU 30 HD13 LEU 30 -4.775 14.146 6.546 231 HD21 LEU 30 HD21 LEU 30 -6.864 16.004 5.219 232 HD22 LEU 30 HD22 LEU 30 -6.322 16.018 6.909 233 HD23 LEU 30 HD23 LEU 30 -8.036 15.851 6.553 234 H ARG 31 H ARG 31 -8.966 11.087 3.121 235 HA ARG 31 HA ARG 31 -11.844 11.467 3.687 236 HB2 ARG 31 HB2 ARG 31 -10.328 10.675 1.162 237 HB3 ARG 31 HB3 ARG 31 -12.091 10.735 1.315 238 HG2 ARG 31 HG2 ARG 31 -11.753 13.156 2.150 239 HG3 ARG 31 HG3 ARG 31 -10.123 13.049 1.461 240 HD2 ARG 31 HD2 ARG 31 -11.184 12.193 -0.669 241 HD3 ARG 31 HD3 ARG 31 -12.770 12.570 0.033 242 HE ARG 31 HE ARG 31 -11.111 14.898 0.069 243 HH11 ARG 31 HH11 ARG 31 -12.780 12.704 -2.123 244 HH12 ARG 31 HH12 ARG 31 -13.015 13.849 -3.406 245 HH21 ARG 31 HH21 ARG 31 -11.300 16.465 -1.691 246 HH22 ARG 31 HH22 ARG 31 -12.082 16.043 -3.164 247 H GLU 32 H GLU 32 -9.888 8.808 2.306 248 HA GLU 32 HA GLU 32 -11.123 6.834 3.981 249 HB2 GLU 32 HB2 GLU 32 -12.152 5.560 2.017 250 HB3 GLU 32 HB3 GLU 32 -13.028 6.920 2.691 251 HG2 GLU 32 HG2 GLU 32 -11.592 8.063 0.534 252 HG3 GLU 32 HG3 GLU 32 -12.069 6.498 -0.040 253 H HIS 33 H HIS 33 -9.704 5.199 4.235 254 HA HIS 33 HA HIS 33 -7.752 4.527 2.126 255 HB2 HIS 33 HB2 HIS 33 -5.927 4.609 3.714 256 HB3 HIS 33 HB3 HIS 33 -6.682 6.161 3.541 257 HD1 HIS 33 HD1 HIS 33 -7.992 7.145 5.793 258 HD2 HIS 33 HD2 HIS 33 -5.763 3.574 6.138 259 HE1 HIS 33 HE1 HIS 33 -7.732 6.683 8.256 260 H ILE 34 H ILE 34 -6.391 2.639 4.087 261 HA ILE 34 HA ILE 34 -8.558 0.612 4.272 262 HB ILE 34 HB ILE 34 -5.760 0.361 3.138 263 HG12 ILE 34 HG12 ILE 34 -8.400 -0.606 1.948 264 HG13 ILE 34 HG13 ILE 34 -7.897 1.063 1.736 265 HG21 ILE 34 HG21 ILE 34 -6.087 -2.061 2.956 266 HG22 ILE 34 HG22 ILE 34 -6.123 -1.582 4.626 267 HG23 ILE 34 HG23 ILE 34 -7.647 -1.953 3.786 268 HD11 ILE 34 HD11 ILE 34 -5.928 0.505 0.619 269 HD12 ILE 34 HD12 ILE 34 -6.101 -1.231 0.929 270 HD13 ILE 34 HD13 ILE 34 -7.245 -0.402 -0.152 271 HA PRO 35 HA PRO 35 -7.169 0.530 8.487 272 HB2 PRO 35 HB2 PRO 35 -8.041 -1.973 9.300 273 HB3 PRO 35 HB3 PRO 35 -9.096 -0.549 9.108 274 HG2 PRO 35 HG2 PRO 35 -8.605 -2.803 7.143 275 HG3 PRO 35 HG3 PRO 35 -10.173 -2.058 7.612 276 HD2 PRO 35 HD2 PRO 35 -8.858 -1.432 5.338 277 HD3 PRO 35 HD3 PRO 35 -9.722 -0.180 6.212 278 H GLU 36 H GLU 36 -6.396 -2.261 6.413 279 HA GLU 36 HA GLU 36 -4.268 -3.312 8.054 280 HB2 GLU 36 HB2 GLU 36 -5.028 -3.741 5.138 281 HB3 GLU 36 HB3 GLU 36 -3.852 -4.688 6.035 282 HG2 GLU 36 HG2 GLU 36 -5.617 -5.311 7.697 283 HG3 GLU 36 HG3 GLU 36 -6.813 -4.516 6.666 284 H ALA 37 H ALA 37 -4.335 -0.348 6.525 285 HA ALA 37 HA ALA 37 -1.440 -0.377 5.900 286 HB1 ALA 37 HB1 ALA 37 -2.010 1.269 4.124 287 HB2 ALA 37 HB2 ALA 37 -3.023 -0.165 3.886 288 HB3 ALA 37 HB3 ALA 37 -3.716 1.240 4.639 289 H ASP 38 H ASP 38 -0.701 1.939 5.739 290 HA ASP 38 HA ASP 38 -1.706 3.487 8.151 291 HB2 ASP 38 HB2 ASP 38 0.463 2.426 8.692 292 HB3 ASP 38 HB3 ASP 38 1.227 3.396 7.451 293 H LEU 39 H LEU 39 0.818 4.735 6.145 294 HA LEU 39 HA LEU 39 -0.279 5.958 3.967 295 HB2 LEU 39 HB2 LEU 39 -1.823 7.278 5.277 296 HB3 LEU 39 HB3 LEU 39 -0.611 7.632 6.500 297 HG LEU 39 HG LEU 39 0.663 8.974 4.736 298 HD11 LEU 39 HD11 LEU 39 -0.366 8.019 2.685 299 HD12 LEU 39 HD12 LEU 39 -0.588 9.774 2.763 300 HD13 LEU 39 HD13 LEU 39 -1.924 8.690 3.156 301 HD21 LEU 39 HD21 LEU 39 -2.073 9.949 5.490 302 HD22 LEU 39 HD22 LEU 39 -0.727 10.939 4.906 303 HD23 LEU 39 HD23 LEU 39 -0.599 10.065 6.452 304 H ALA 40 H ALA 40 1.401 6.659 2.920 305 HA ALA 40 HA ALA 40 3.655 8.072 4.003 306 HB1 ALA 40 HB1 ALA 40 4.163 5.158 3.346 307 HB2 ALA 40 HB2 ALA 40 5.419 6.392 3.545 308 HB3 ALA 40 HB3 ALA 40 4.380 5.934 4.912 309 HA PRO 41 HA PRO 41 2.482 8.484 -0.434 310 HB2 PRO 41 HB2 PRO 41 2.891 11.238 -0.574 311 HB3 PRO 41 HB3 PRO 41 1.353 10.424 -0.132 312 HG2 PRO 41 HG2 PRO 41 3.396 11.697 1.644 313 HG3 PRO 41 HG3 PRO 41 1.622 11.675 1.819 314 HD2 PRO 41 HD2 PRO 41 3.360 10.029 3.212 315 HD3 PRO 41 HD3 PRO 41 1.668 9.595 2.842 316 H LEU 42 H LEU 42 3.808 8.825 -2.258 317 HA LEU 42 HA LEU 42 6.489 8.213 -1.954 318 HB2 LEU 42 HB2 LEU 42 4.814 8.390 -4.110 319 HB3 LEU 42 HB3 LEU 42 5.769 9.820 -4.377 320 HG LEU 42 HG LEU 42 7.156 8.546 -5.529 321 HD11 LEU 42 HD11 LEU 42 8.566 8.814 -3.535 322 HD12 LEU 42 HD12 LEU 42 8.960 7.386 -4.467 323 HD13 LEU 42 HD13 LEU 42 8.075 7.225 -2.944 324 HD21 LEU 42 HD21 LEU 42 6.048 6.129 -4.063 325 HD22 LEU 42 HD22 LEU 42 7.121 6.074 -5.481 326 HD23 LEU 42 HD23 LEU 42 5.495 6.760 -5.632 327 H SER 43 H SER 43 4.950 11.376 -2.290 328 HA SER 43 HA SER 43 7.136 13.037 -2.640 329 HB2 SER 43 HB2 SER 43 4.635 13.564 -2.666 330 HB3 SER 43 HB3 SER 43 4.711 13.641 -0.896 331 HG SER 43 HG SER 43 4.959 15.682 -1.703 332 H VAL 44 H VAL 44 6.196 11.331 0.383 333 HA VAL 44 HA VAL 44 8.117 13.004 1.923 334 HB VAL 44 HB VAL 44 6.089 10.882 2.746 335 HG11 VAL 44 HG11 VAL 44 6.598 11.681 5.086 336 HG12 VAL 44 HG12 VAL 44 7.931 10.801 4.344 337 HG13 VAL 44 HG13 VAL 44 7.996 12.576 4.417 338 HG21 VAL 44 HG21 VAL 44 4.908 12.773 3.753 339 HG22 VAL 44 HG22 VAL 44 6.192 13.898 3.208 340 HG23 VAL 44 HG23 VAL 44 5.137 13.103 2.032 341 H LEU 45 H LEU 45 7.641 9.750 0.617 342 HA LEU 45 HA LEU 45 9.761 8.484 1.987 343 HB2 LEU 45 HB2 LEU 45 8.220 8.025 -0.573 344 HB3 LEU 45 HB3 LEU 45 9.582 6.991 -0.215 345 HG LEU 45 HG LEU 45 7.366 7.495 1.843 346 HD11 LEU 45 HD11 LEU 45 6.352 6.651 -0.152 347 HD12 LEU 45 HD12 LEU 45 6.386 5.395 1.110 348 HD13 LEU 45 HD13 LEU 45 7.564 5.314 -0.233 349 HD21 LEU 45 HD21 LEU 45 8.184 5.345 2.756 350 HD22 LEU 45 HD22 LEU 45 9.461 6.560 2.686 351 HD23 LEU 45 HD23 LEU 45 9.426 5.272 1.470 352 H GLU 46 H GLU 46 9.715 9.968 -1.247 353 HA GLU 46 HA GLU 46 12.374 9.289 -1.922 354 HB2 GLU 46 HB2 GLU 46 10.514 11.459 -2.794 355 HB3 GLU 46 HB3 GLU 46 12.181 11.438 -3.395 356 HG2 GLU 46 HG2 GLU 46 10.673 8.839 -3.414 357 HG3 GLU 46 HG3 GLU 46 10.185 10.029 -4.600 358 H GLN 47 H GLN 47 11.075 11.871 0.076 359 HA GLN 47 HA GLN 47 13.619 13.301 0.352 360 HB2 GLN 47 HB2 GLN 47 10.857 13.806 1.534 361 HB3 GLN 47 HB3 GLN 47 12.284 14.816 1.810 362 HG2 GLN 47 HG2 GLN 47 12.470 15.209 -0.645 363 HG3 GLN 47 HG3 GLN 47 10.978 14.289 -0.885 364 HE21 GLN 47 HE21 GLN 47 8.957 15.312 -0.397 365 HE22 GLN 47 HE22 GLN 47 8.853 17.018 -0.007 366 H SER 48 H SER 48 11.317 12.252 2.880 367 HA SER 48 HA SER 48 13.390 12.105 4.876 368 HB2 SER 48 HB2 SER 48 11.135 12.941 5.354 369 HB3 SER 48 HB3 SER 48 10.446 11.348 4.985 370 HG SER 48 HG SER 48 10.880 11.816 7.293 371 H GLY 49 H GLY 49 11.169 9.643 3.355 372 HA2 GLY 49 HA2 GLY 49 12.014 7.478 2.706 373 HA3 GLY 49 HA3 GLY 49 13.193 7.555 4.018 374 H LEU 50 H LEU 50 11.568 5.372 3.844 375 HA LEU 50 HA LEU 50 9.106 5.491 5.166 376 HB2 LEU 50 HB2 LEU 50 10.045 3.696 3.698 377 HB3 LEU 50 HB3 LEU 50 11.125 3.229 5.020 378 HG LEU 50 HG LEU 50 9.012 2.761 6.385 379 HD11 LEU 50 HD11 LEU 50 7.627 2.894 3.662 380 HD12 LEU 50 HD12 LEU 50 7.393 4.097 4.937 381 HD13 LEU 50 HD13 LEU 50 6.924 2.422 5.229 382 HD21 LEU 50 HD21 LEU 50 8.635 0.619 5.062 383 HD22 LEU 50 HD22 LEU 50 10.349 1.005 5.289 384 HD23 LEU 50 HD23 LEU 50 9.554 1.315 3.732 385 HA PRO 51 HA PRO 51 10.633 6.057 9.349 386 HB2 PRO 51 HB2 PRO 51 8.345 5.706 10.806 387 HB3 PRO 51 HB3 PRO 51 8.604 7.125 9.737 388 HG2 PRO 51 HG2 PRO 51 7.029 4.636 9.220 389 HG3 PRO 51 HG3 PRO 51 6.602 6.324 8.797 390 HD2 PRO 51 HD2 PRO 51 7.752 4.431 7.060 391 HD3 PRO 51 HD3 PRO 51 7.852 6.189 6.814 392 H ALA 52 H ALA 52 11.259 4.824 11.145 393 HA ALA 52 HA ALA 52 11.802 2.196 10.781 394 HB1 ALA 52 HB1 ALA 52 11.538 3.590 13.485 395 HB2 ALA 52 HB2 ALA 52 12.533 2.167 13.121 396 HB3 ALA 52 HB3 ALA 52 12.923 3.727 12.378 397 H LYS 53 H LYS 53 8.649 3.228 11.742 398 HA LYS 53 HA LYS 53 8.067 0.566 12.985 399 HB2 LYS 53 HB2 LYS 53 6.068 2.814 12.790 400 HB3 LYS 53 HB3 LYS 53 6.119 1.413 13.866 401 HG2 LYS 53 HG2 LYS 53 7.891 3.853 13.986 402 HG3 LYS 53 HG3 LYS 53 6.603 3.420 15.113 403 HD2 LYS 53 HD2 LYS 53 9.136 1.796 14.677 404 HD3 LYS 53 HD3 LYS 53 8.921 2.989 15.952 405 HE2 LYS 53 HE2 LYS 53 7.124 1.687 16.951 406 HE3 LYS 53 HE3 LYS 53 7.140 0.543 15.592 407 HZ1 LYS 53 HZ1 LYS 53 9.402 0.957 17.443 408 HZ2 LYS 53 HZ2 LYS 53 9.338 -0.115 16.182 409 HZ3 LYS 53 HZ3 LYS 53 8.348 -0.320 17.472 410 H LEU 54 H LEU 54 7.462 2.463 10.066 411 HA LEU 54 HA LEU 54 5.461 0.473 9.160 412 HB2 LEU 54 HB2 LEU 54 6.300 3.009 7.774 413 HB3 LEU 54 HB3 LEU 54 4.953 1.967 7.356 414 HG LEU 54 HG LEU 54 5.221 3.509 9.947 415 HD11 LEU 54 HD11 LEU 54 3.421 3.967 7.524 416 HD12 LEU 54 HD12 LEU 54 4.836 4.935 7.935 417 HD13 LEU 54 HD13 LEU 54 3.439 4.942 9.012 418 HD21 LEU 54 HD21 LEU 54 3.031 2.853 10.546 419 HD22 LEU 54 HD22 LEU 54 3.894 1.386 10.212 420 HD23 LEU 54 HD23 LEU 54 2.763 2.031 9.005 421 H ARG 55 H ARG 55 8.383 0.007 9.433 422 HA ARG 55 HA ARG 55 9.071 -0.879 6.666 423 HB2 ARG 55 HB2 ARG 55 11.381 -0.563 7.258 424 HB3 ARG 55 HB3 ARG 55 10.549 0.951 7.652 425 HG2 ARG 55 HG2 ARG 55 10.826 0.842 9.754 426 HG3 ARG 55 HG3 ARG 55 10.592 -0.863 9.963 427 HD2 ARG 55 HD2 ARG 55 12.861 -1.152 8.756 428 HD3 ARG 55 HD3 ARG 55 13.091 0.582 9.032 429 HE ARG 55 HE ARG 55 13.648 0.103 11.199 430 HH11 ARG 55 HH11 ARG 55 11.751 -2.686 9.933 431 HH12 ARG 55 HH12 ARG 55 12.251 -3.746 11.200 432 HH21 ARG 55 HH21 ARG 55 14.193 -1.286 12.898 433 HH22 ARG 55 HH22 ARG 55 13.564 -2.917 12.986 434 H HIS 56 H HIS 56 7.321 -2.448 8.042 435 HA HIS 56 HA HIS 56 8.467 -4.362 9.804 436 HB2 HIS 56 HB2 HIS 56 5.961 -3.882 9.238 437 HB3 HIS 56 HB3 HIS 56 6.206 -4.985 7.876 438 HD1 HIS 56 HD1 HIS 56 6.605 -4.976 11.732 439 HD2 HIS 56 HD2 HIS 56 6.014 -7.561 8.457 440 HE1 HIS 56 HE1 HIS 56 6.387 -7.334 12.698 441 H GLU 57 H GLU 57 8.945 -6.618 9.301 442 HA GLU 57 HA GLU 57 10.988 -7.044 7.602 443 HB2 GLU 57 HB2 GLU 57 9.134 -9.364 8.095 444 HB3 GLU 57 HB3 GLU 57 10.890 -9.310 8.093 445 HG2 GLU 57 HG2 GLU 57 8.948 -8.485 10.256 446 HG3 GLU 57 HG3 GLU 57 10.255 -9.659 10.342 447 H GLN 58 H GLN 58 7.589 -7.281 6.569 448 HA GLN 58 HA GLN 58 8.439 -7.427 3.784 449 HB2 GLN 58 HB2 GLN 58 6.362 -9.387 4.889 450 HB3 GLN 58 HB3 GLN 58 6.945 -9.258 3.229 451 HG2 GLN 58 HG2 GLN 58 9.252 -9.959 4.122 452 HG3 GLN 58 HG3 GLN 58 8.468 -10.284 5.662 453 HE21 GLN 58 HE21 GLN 58 7.713 -12.419 5.923 454 HE22 GLN 58 HE22 GLN 58 7.470 -13.496 4.545 455 H ILE 59 H ILE 59 7.212 -6.115 2.583 456 HA ILE 59 HA ILE 59 4.573 -5.345 3.610 457 HB ILE 59 HB ILE 59 4.969 -3.076 3.582 458 HG12 ILE 59 HG12 ILE 59 7.702 -3.568 2.417 459 HG13 ILE 59 HG13 ILE 59 6.372 -2.983 1.511 460 HG21 ILE 59 HG21 ILE 59 6.626 -2.616 5.273 461 HG22 ILE 59 HG22 ILE 59 5.940 -4.197 5.607 462 HG23 ILE 59 HG23 ILE 59 7.538 -4.073 4.854 463 HD11 ILE 59 HD11 ILE 59 6.218 -1.000 3.157 464 HD12 ILE 59 HD12 ILE 59 7.845 -1.481 3.693 465 HD13 ILE 59 HD13 ILE 59 7.564 -1.016 1.990 466 H ILE 60 H ILE 60 3.551 -3.872 1.975 467 HA ILE 60 HA ILE 60 4.115 -4.596 -0.853 468 HB ILE 60 HB ILE 60 1.415 -4.823 0.528 469 HG12 ILE 60 HG12 ILE 60 2.308 -7.278 -0.796 470 HG13 ILE 60 HG13 ILE 60 3.475 -6.829 0.386 471 HG21 ILE 60 HG21 ILE 60 2.178 -5.372 -2.370 472 HG22 ILE 60 HG22 ILE 60 0.617 -5.774 -1.632 473 HG23 ILE 60 HG23 ILE 60 1.101 -4.087 -1.777 474 HD11 ILE 60 HD11 ILE 60 1.736 -6.696 2.133 475 HD12 ILE 60 HD12 ILE 60 0.509 -7.172 0.929 476 HD13 ILE 60 HD13 ILE 60 1.819 -8.292 1.368 477 H PHE 61 H PHE 61 4.012 -2.842 -2.127 478 HA PHE 61 HA PHE 61 3.000 -0.276 -1.031 479 HB2 PHE 61 HB2 PHE 61 4.691 -0.946 -3.477 480 HB3 PHE 61 HB3 PHE 61 4.058 0.650 -3.131 481 HD1 PHE 61 HD1 PHE 61 4.594 1.598 -0.704 482 HD2 PHE 61 HD2 PHE 61 6.913 -1.448 -2.673 483 HE1 PHE 61 HE1 PHE 61 6.562 2.222 0.666 484 HE2 PHE 61 HE2 PHE 61 8.881 -0.783 -1.314 485 HZ PHE 61 HZ PHE 61 8.679 0.955 0.405 486 H HIS 62 H HIS 62 1.086 0.533 -1.718 487 HA HIS 62 HA HIS 62 -0.072 -0.404 -4.291 488 HB2 HIS 62 HB2 HIS 62 -2.164 -0.889 -3.377 489 HB3 HIS 62 HB3 HIS 62 -1.002 -1.774 -2.396 490 HD1 HIS 62 HD1 HIS 62 -0.400 0.912 -0.462 491 HD2 HIS 62 HD2 HIS 62 -3.990 -1.120 -1.386 492 HE1 HIS 62 HE1 HIS 62 -2.054 1.482 1.374 493 H CYS 63 H CYS 63 -1.805 1.062 -5.106 494 HA CYS 63 HA CYS 63 -2.110 3.623 -3.889 495 HB2 CYS 63 HB2 CYS 63 -1.142 4.992 -5.617 496 HB3 CYS 63 HB3 CYS 63 0.086 3.942 -4.953 497 HG CYS 63 HG CYS 63 0.320 4.470 -7.498 498 H GLN 64 H GLN 64 -3.105 4.881 -6.380 499 HA GLN 64 HA GLN 64 -5.746 3.999 -6.323 500 HB2 GLN 64 HB2 GLN 64 -5.049 6.170 -7.155 501 HB3 GLN 64 HB3 GLN 64 -4.300 5.431 -8.577 502 HG2 GLN 64 HG2 GLN 64 -6.445 4.786 -9.458 503 HG3 GLN 64 HG3 GLN 64 -7.251 5.106 -7.924 504 HE21 GLN 64 HE21 GLN 64 -8.312 7.071 -7.765 505 HE22 GLN 64 HE22 GLN 64 -7.978 8.450 -8.799 506 H ALA 65 H ALA 65 -3.186 3.067 -8.741 507 HA ALA 65 HA ALA 65 -4.688 0.642 -9.395 508 HB1 ALA 65 HB1 ALA 65 -5.127 2.256 -11.158 509 HB2 ALA 65 HB2 ALA 65 -3.387 2.593 -11.337 510 HB3 ALA 65 HB3 ALA 65 -4.055 0.982 -11.738 511 H GLY 66 H GLY 66 -2.063 0.849 -11.234 512 HA2 GLY 66 HA2 GLY 66 -0.088 -0.043 -9.146 513 HA3 GLY 66 HA3 GLY 66 -0.505 -1.059 -10.507 514 H LYS 67 H LYS 67 -0.291 2.094 -11.782 515 HA LYS 67 HA LYS 67 2.183 1.312 -13.069 516 HB2 LYS 67 HB2 LYS 67 0.464 2.775 -14.130 517 HB3 LYS 67 HB3 LYS 67 0.958 4.088 -13.044 518 HG2 LYS 67 HG2 LYS 67 3.306 3.888 -13.974 519 HG3 LYS 67 HG3 LYS 67 2.737 2.596 -15.032 520 HD2 LYS 67 HD2 LYS 67 2.822 4.582 -16.342 521 HD3 LYS 67 HD3 LYS 67 1.104 4.253 -16.053 522 HE2 LYS 67 HE2 LYS 67 1.120 5.901 -14.171 523 HE3 LYS 67 HE3 LYS 67 2.846 6.179 -14.444 524 HZ1 LYS 67 HZ1 LYS 67 1.598 7.892 -15.485 525 HZ2 LYS 67 HZ2 LYS 67 0.653 6.818 -16.292 526 HZ3 LYS 67 HZ3 LYS 67 2.215 6.948 -16.713 527 H ARG 68 H ARG 68 1.509 4.000 -10.751 528 HA ARG 68 HA ARG 68 4.167 4.732 -10.499 529 HB2 ARG 68 HB2 ARG 68 2.158 6.040 -9.789 530 HB3 ARG 68 HB3 ARG 68 2.178 5.133 -8.259 531 HG2 ARG 68 HG2 ARG 68 4.286 6.058 -7.620 532 HG3 ARG 68 HG3 ARG 68 4.712 6.449 -9.282 533 HD2 ARG 68 HD2 ARG 68 4.337 8.489 -8.405 534 HD3 ARG 68 HD3 ARG 68 2.824 8.174 -9.269 535 HE ARG 68 HE ARG 68 2.029 7.401 -6.881 536 HH11 ARG 68 HH11 ARG 68 3.562 10.310 -7.997 537 HH12 ARG 68 HH12 ARG 68 3.577 11.167 -6.487 538 HH21 ARG 68 HH21 ARG 68 1.762 8.555 -4.810 539 HH22 ARG 68 HH22 ARG 68 2.226 10.216 -4.711 540 H THR 69 H THR 69 2.630 2.022 -8.723 541 HA THR 69 HA THR 69 4.535 1.778 -6.654 542 HB THR 69 HB THR 69 3.628 -0.708 -6.922 543 HG1 THR 69 HG1 THR 69 2.259 -0.916 -8.570 544 HG21 THR 69 HG21 THR 69 1.766 1.626 -6.275 545 HG22 THR 69 HG22 THR 69 2.871 0.815 -5.136 546 HG23 THR 69 HG23 THR 69 1.503 -0.068 -5.837 547 H SER 70 H SER 70 4.323 -0.104 -9.724 548 HA SER 70 HA SER 70 6.912 -1.215 -9.453 549 HB2 SER 70 HB2 SER 70 4.981 -2.013 -10.866 550 HB3 SER 70 HB3 SER 70 5.358 -0.709 -12.012 551 HG SER 70 HG SER 70 6.321 -2.613 -12.602 552 H ASN 71 H ASN 71 5.751 1.668 -11.084 553 HA ASN 71 HA ASN 71 7.944 2.496 -12.572 554 HB2 ASN 71 HB2 ASN 71 5.797 3.641 -12.574 555 HB3 ASN 71 HB3 ASN 71 6.134 4.304 -10.963 556 HD21 ASN 71 HD21 ASN 71 7.650 6.106 -10.734 557 HD22 ASN 71 HD22 ASN 71 8.238 6.917 -12.154 558 H ASN 72 H ASN 72 7.584 3.045 -9.037 559 HA ASN 72 HA ASN 72 10.253 4.418 -9.029 560 HB2 ASN 72 HB2 ASN 72 7.888 4.504 -7.143 561 HB3 ASN 72 HB3 ASN 72 9.514 4.970 -6.630 562 HD21 ASN 72 HD21 ASN 72 9.884 7.079 -6.610 563 HD22 ASN 72 HD22 ASN 72 9.161 8.214 -7.761 564 H ALA 73 H ALA 73 9.067 1.357 -8.694 565 HA ALA 73 HA ALA 73 9.758 0.184 -6.368 566 HB1 ALA 73 HB1 ALA 73 10.277 -0.882 -9.144 567 HB2 ALA 73 HB2 ALA 73 10.126 -1.816 -7.676 568 HB3 ALA 73 HB3 ALA 73 8.721 -0.934 -8.255 569 H ASP 74 H ASP 74 12.036 1.024 -8.930 570 HA ASP 74 HA ASP 74 14.379 -0.196 -8.287 571 HB2 ASP 74 HB2 ASP 74 13.729 1.455 -10.147 572 HB3 ASP 74 HB3 ASP 74 14.204 2.739 -9.040 573 H LYS 75 H LYS 75 13.123 2.772 -6.822 574 HA LYS 75 HA LYS 75 15.311 2.745 -4.774 575 HB2 LYS 75 HB2 LYS 75 13.401 5.044 -5.042 576 HB3 LYS 75 HB3 LYS 75 15.054 5.006 -4.446 577 HG2 LYS 75 HG2 LYS 75 15.615 5.864 -6.468 578 HG3 LYS 75 HG3 LYS 75 15.482 4.242 -7.079 579 HD2 LYS 75 HD2 LYS 75 13.966 5.263 -8.529 580 HD3 LYS 75 HD3 LYS 75 12.831 4.946 -7.166 581 HE2 LYS 75 HE2 LYS 75 13.627 7.200 -6.211 582 HE3 LYS 75 HE3 LYS 75 14.567 7.472 -7.666 583 HZ1 LYS 75 HZ1 LYS 75 12.390 8.580 -7.462 584 HZ2 LYS 75 HZ2 LYS 75 11.641 7.151 -7.702 585 HZ3 LYS 75 HZ3 LYS 75 12.617 7.802 -8.895 586 H LEU 76 H LEU 76 11.824 2.786 -5.214 587 HA LEU 76 HA LEU 76 11.032 2.987 -2.477 588 HB2 LEU 76 HB2 LEU 76 9.756 1.308 -4.649 589 HB3 LEU 76 HB3 LEU 76 9.091 1.395 -3.032 590 HG LEU 76 HG LEU 76 9.437 3.774 -4.861 591 HD11 LEU 76 HD11 LEU 76 7.735 2.180 -5.686 592 HD12 LEU 76 HD12 LEU 76 6.954 3.646 -5.073 593 HD13 LEU 76 HD13 LEU 76 6.957 2.165 -4.091 594 HD21 LEU 76 HD21 LEU 76 9.473 4.481 -2.504 595 HD22 LEU 76 HD22 LEU 76 8.047 3.491 -2.162 596 HD23 LEU 76 HD23 LEU 76 7.915 4.909 -3.219 597 H ALA 77 H ALA 77 12.119 0.082 -4.219 598 HA ALA 77 HA ALA 77 11.765 -1.829 -2.112 599 HB1 ALA 77 HB1 ALA 77 13.775 -1.671 -4.405 600 HB2 ALA 77 HB2 ALA 77 13.614 -3.052 -3.306 601 HB3 ALA 77 HB3 ALA 77 12.248 -2.583 -4.320 602 H ALA 78 H ALA 78 14.685 0.070 -3.080 603 HA ALA 78 HA ALA 78 16.361 -0.778 -1.010 604 HB1 ALA 78 HB1 ALA 78 16.330 1.861 -2.516 605 HB2 ALA 78 HB2 ALA 78 17.683 1.252 -1.537 606 HB3 ALA 78 HB3 ALA 78 17.177 0.375 -2.983 607 H ILE 79 H ILE 79 14.115 2.016 -1.024 608 HA ILE 79 HA ILE 79 14.854 3.134 1.488 609 HB ILE 79 HB ILE 79 12.278 3.109 -0.119 610 HG12 ILE 79 HG12 ILE 79 13.948 5.519 0.431 611 HG13 ILE 79 HG13 ILE 79 14.418 4.429 -0.883 612 HG21 ILE 79 HG21 ILE 79 11.555 3.508 2.156 613 HG22 ILE 79 HG22 ILE 79 12.912 4.612 2.457 614 HG23 ILE 79 HG23 ILE 79 11.602 5.104 1.375 615 HD11 ILE 79 HD11 ILE 79 11.764 5.953 -0.666 616 HD12 ILE 79 HD12 ILE 79 13.084 6.284 -1.776 617 HD13 ILE 79 HD13 ILE 79 12.176 4.782 -1.941 618 H ALA 80 H ALA 80 12.769 0.374 0.700 619 HA ALA 80 HA ALA 80 11.885 0.086 3.526 620 HB1 ALA 80 HB1 ALA 80 10.459 -1.712 2.607 621 HB2 ALA 80 HB2 ALA 80 10.226 -0.202 1.700 622 HB3 ALA 80 HB3 ALA 80 11.221 -1.503 1.016 623 H ALA 81 H ALA 81 14.138 -1.378 1.236 624 HA ALA 81 HA ALA 81 14.502 -3.881 2.274 625 HB1 ALA 81 HB1 ALA 81 15.461 -3.160 0.210 626 HB2 ALA 81 HB2 ALA 81 16.603 -2.106 1.087 627 HB3 ALA 81 HB3 ALA 81 16.688 -3.865 1.286 628 HA PRO 82 HA PRO 82 16.615 -5.388 2.819 629 HB2 PRO 82 HB2 PRO 82 17.081 -7.035 4.936 630 HB3 PRO 82 HB3 PRO 82 18.285 -5.868 4.327 631 HG2 PRO 82 HG2 PRO 82 16.307 -5.429 6.605 632 HG3 PRO 82 HG3 PRO 82 18.093 -5.264 6.651 633 HD2 PRO 82 HD2 PRO 82 16.572 -3.101 6.195 634 HD3 PRO 82 HD3 PRO 82 18.059 -3.354 5.240 635 H ALA 83 H ALA 83 13.854 -4.201 4.040 636 HA ALA 83 HA ALA 83 12.498 -6.708 4.759 637 HB1 ALA 83 HB1 ALA 83 11.328 -3.980 4.052 638 HB2 ALA 83 HB2 ALA 83 10.458 -5.368 4.681 639 HB3 ALA 83 HB3 ALA 83 11.675 -4.565 5.710 640 H GLU 84 H GLU 84 10.760 -7.561 3.425 641 HA GLU 84 HA GLU 84 11.478 -7.503 0.558 642 HB2 GLU 84 HB2 GLU 84 9.614 -9.218 2.187 643 HB3 GLU 84 HB3 GLU 84 9.340 -9.103 0.465 644 HG2 GLU 84 HG2 GLU 84 11.974 -9.855 1.724 645 HG3 GLU 84 HG3 GLU 84 10.786 -11.001 1.052 646 H ILE 85 H ILE 85 10.055 -7.012 -1.038 647 HA ILE 85 HA ILE 85 7.780 -5.297 -0.334 648 HB ILE 85 HB ILE 85 8.568 -3.777 -2.197 649 HG12 ILE 85 HG12 ILE 85 10.521 -5.242 -2.871 650 HG13 ILE 85 HG13 ILE 85 10.747 -3.529 -2.776 651 HG21 ILE 85 HG21 ILE 85 9.780 -3.794 0.584 652 HG22 ILE 85 HG22 ILE 85 9.908 -2.441 -0.530 653 HG23 ILE 85 HG23 ILE 85 8.307 -2.979 0.029 654 HD11 ILE 85 HD11 ILE 85 11.611 -5.438 -0.566 655 HD12 ILE 85 HD12 ILE 85 12.684 -4.784 -1.813 656 HD13 ILE 85 HD13 ILE 85 11.923 -3.723 -0.603 657 H PHE 86 H PHE 86 6.110 -5.218 -1.823 658 HA PHE 86 HA PHE 86 6.248 -6.709 -4.379 659 HB2 PHE 86 HB2 PHE 86 4.165 -6.935 -2.157 660 HB3 PHE 86 HB3 PHE 86 4.006 -7.652 -3.736 661 HD1 PHE 86 HD1 PHE 86 5.718 -7.878 -0.475 662 HD2 PHE 86 HD2 PHE 86 5.019 -9.752 -4.268 663 HE1 PHE 86 HE1 PHE 86 6.762 -9.964 0.382 664 HE2 PHE 86 HE2 PHE 86 5.936 -11.874 -3.398 665 HZ PHE 86 HZ PHE 86 6.880 -11.985 -1.092 666 H LEU 87 H LEU 87 4.316 -5.925 -5.862 667 HA LEU 87 HA LEU 87 3.325 -3.281 -5.002 668 HB2 LEU 87 HB2 LEU 87 3.720 -4.446 -7.786 669 HB3 LEU 87 HB3 LEU 87 3.181 -2.847 -7.346 670 HG LEU 87 HG LEU 87 5.166 -2.415 -8.007 671 HD11 LEU 87 HD11 LEU 87 6.672 -1.715 -6.304 672 HD12 LEU 87 HD12 LEU 87 6.131 -3.001 -5.211 673 HD13 LEU 87 HD13 LEU 87 5.039 -1.668 -5.609 674 HD21 LEU 87 HD21 LEU 87 6.572 -4.834 -6.958 675 HD22 LEU 87 HD22 LEU 87 7.203 -3.539 -8.033 676 HD23 LEU 87 HD23 LEU 87 5.931 -4.591 -8.609 677 H LEU 88 H LEU 88 1.123 -2.975 -5.213 678 HA LEU 88 HA LEU 88 -0.551 -5.353 -5.913 679 HB2 LEU 88 HB2 LEU 88 -1.001 -4.192 -3.746 680 HB3 LEU 88 HB3 LEU 88 -1.303 -2.702 -4.637 681 HG LEU 88 HG LEU 88 -3.116 -4.079 -5.953 682 HD11 LEU 88 HD11 LEU 88 -2.550 -6.325 -5.217 683 HD12 LEU 88 HD12 LEU 88 -4.139 -5.885 -4.573 684 HD13 LEU 88 HD13 LEU 88 -2.727 -5.856 -3.517 685 HD21 LEU 88 HD21 LEU 88 -4.831 -3.610 -4.292 686 HD22 LEU 88 HD22 LEU 88 -3.677 -2.272 -4.415 687 HD23 LEU 88 HD23 LEU 88 -3.589 -3.389 -3.041 688 H GLU 89 H GLU 89 -0.479 -5.311 -8.200 689 HA GLU 89 HA GLU 89 -0.516 -2.888 -9.687 690 HB2 GLU 89 HB2 GLU 89 0.422 -5.003 -10.506 691 HB3 GLU 89 HB3 GLU 89 -1.190 -5.731 -10.463 692 HG2 GLU 89 HG2 GLU 89 -0.522 -5.163 -12.735 693 HG3 GLU 89 HG3 GLU 89 -1.985 -4.346 -12.196 694 H ASP 90 H ASP 90 -3.108 -4.923 -8.436 695 HA ASP 90 HA ASP 90 -5.242 -3.911 -10.060 696 HB2 ASP 90 HB2 ASP 90 -5.069 -5.389 -7.433 697 HB3 ASP 90 HB3 ASP 90 -6.578 -4.621 -7.849 698 H GLY 91 H GLY 91 -3.676 -2.658 -7.181 699 HA2 GLY 91 HA2 GLY 91 -3.779 -0.623 -6.166 700 HA3 GLY 91 HA3 GLY 91 -4.804 -0.058 -7.470 701 H ILE 92 H ILE 92 -5.471 1.062 -5.351 702 HA ILE 92 HA ILE 92 -7.156 -0.179 -3.462 703 HB ILE 92 HB ILE 92 -5.999 2.194 -3.643 704 HG12 ILE 92 HG12 ILE 92 -6.788 1.398 -1.589 705 HG13 ILE 92 HG13 ILE 92 -7.295 3.062 -1.793 706 HG21 ILE 92 HG21 ILE 92 -7.412 4.076 -4.060 707 HG22 ILE 92 HG22 ILE 92 -7.442 3.034 -5.494 708 HG23 ILE 92 HG23 ILE 92 -8.815 3.044 -4.390 709 HD11 ILE 92 HD11 ILE 92 -9.609 2.218 -2.409 710 HD12 ILE 92 HD12 ILE 92 -9.044 0.585 -1.978 711 HD13 ILE 92 HD13 ILE 92 -9.090 1.856 -0.753 712 H ASP 93 H ASP 93 -7.845 1.109 -6.716 713 HA ASP 93 HA ASP 93 -10.706 0.872 -6.481 714 HB2 ASP 93 HB2 ASP 93 -8.771 1.588 -8.604 715 HB3 ASP 93 HB3 ASP 93 -10.212 0.768 -9.183 716 H GLY 94 H GLY 94 -8.322 -1.530 -6.725 717 HA2 GLY 94 HA2 GLY 94 -10.160 -3.575 -7.850 718 HA3 GLY 94 HA3 GLY 94 -8.417 -3.710 -7.603 719 H TRP 95 H TRP 95 -8.294 -2.601 -4.975 720 HA TRP 95 HA TRP 95 -8.598 -4.702 -3.192 721 HB2 TRP 95 HB2 TRP 95 -7.278 -2.639 -2.867 722 HB3 TRP 95 HB3 TRP 95 -8.754 -1.721 -2.621 723 HD1 TRP 95 HD1 TRP 95 -10.128 -2.165 -0.313 724 HE1 TRP 95 HE1 TRP 95 -9.361 -2.988 1.959 725 HE3 TRP 95 HE3 TRP 95 -5.621 -4.058 -1.698 726 HZ2 TRP 95 HZ2 TRP 95 -7.141 -4.639 3.010 727 HZ3 TRP 95 HZ3 TRP 95 -4.206 -5.318 -0.048 728 HH2 TRP 95 HH2 TRP 95 -4.996 -5.608 2.299 729 H LYS 96 H LYS 96 -10.744 -1.856 -3.585 730 HA LYS 96 HA LYS 96 -12.845 -2.733 -1.842 731 HB2 LYS 96 HB2 LYS 96 -12.993 -0.891 -4.246 732 HB3 LYS 96 HB3 LYS 96 -14.183 -0.970 -2.945 733 HG2 LYS 96 HG2 LYS 96 -12.655 -0.068 -1.325 734 HG3 LYS 96 HG3 LYS 96 -11.289 -0.150 -2.437 735 HD2 LYS 96 HD2 LYS 96 -13.743 1.609 -2.796 736 HD3 LYS 96 HD3 LYS 96 -12.154 2.136 -2.236 737 HE2 LYS 96 HE2 LYS 96 -11.151 1.391 -4.401 738 HE3 LYS 96 HE3 LYS 96 -12.767 0.926 -4.968 739 HZ1 LYS 96 HZ1 LYS 96 -12.162 3.053 -5.804 740 HZ2 LYS 96 HZ2 LYS 96 -11.917 3.652 -4.292 741 HZ3 LYS 96 HZ3 LYS 96 -13.432 3.229 -4.718 742 H LYS 97 H LYS 97 -12.216 -3.375 -5.281 743 HA LYS 97 HA LYS 97 -14.843 -4.236 -6.003 744 HB2 LYS 97 HB2 LYS 97 -12.572 -3.718 -7.371 745 HB3 LYS 97 HB3 LYS 97 -12.397 -5.470 -7.269 746 HG2 LYS 97 HG2 LYS 97 -14.630 -5.724 -8.382 747 HG3 LYS 97 HG3 LYS 97 -14.772 -3.947 -8.442 748 HD2 LYS 97 HD2 LYS 97 -12.538 -3.913 -9.657 749 HD3 LYS 97 HD3 LYS 97 -12.650 -5.678 -9.771 750 HE2 LYS 97 HE2 LYS 97 -14.761 -5.409 -11.092 751 HE3 LYS 97 HE3 LYS 97 -14.586 -3.646 -10.955 752 HZ1 LYS 97 HZ1 LYS 97 -12.778 -5.508 -12.375 753 HZ2 LYS 97 HZ2 LYS 97 -12.325 -4.015 -12.016 754 HZ3 LYS 97 HZ3 LYS 97 -13.614 -4.231 -13.014 755 H ALA 98 H ALA 98 -11.931 -5.981 -4.805 756 HA ALA 98 HA ALA 98 -13.067 -8.575 -4.685 757 HB1 ALA 98 HB1 ALA 98 -11.181 -9.045 -3.152 758 HB2 ALA 98 HB2 ALA 98 -10.634 -8.101 -4.550 759 HB3 ALA 98 HB3 ALA 98 -10.876 -7.316 -2.966 760 H GLY 99 H GLY 99 -13.688 -5.797 -2.690 761 HA2 GLY 99 HA2 GLY 99 -15.413 -5.604 -1.138 762 HA3 GLY 99 HA3 GLY 99 -15.496 -7.361 -0.971 763 H LEU 100 H LEU 100 -12.283 -5.958 -0.788 764 HA LEU 100 HA LEU 100 -11.998 -6.902 1.929 765 HB2 LEU 100 HB2 LEU 100 -10.223 -5.238 0.140 766 HB3 LEU 100 HB3 LEU 100 -9.755 -5.741 1.739 767 HG LEU 100 HG LEU 100 -10.380 -7.640 -0.557 768 HD11 LEU 100 HD11 LEU 100 -7.757 -6.904 0.806 769 HD12 LEU 100 HD12 LEU 100 -8.259 -6.396 -0.820 770 HD13 LEU 100 HD13 LEU 100 -7.957 -8.103 -0.488 771 HD21 LEU 100 HD21 LEU 100 -9.279 -9.300 1.131 772 HD22 LEU 100 HD22 LEU 100 -10.965 -8.847 1.402 773 HD23 LEU 100 HD23 LEU 100 -9.676 -8.093 2.363 774 HA PRO 101 HA PRO 101 -13.423 -3.403 4.093 775 HB2 PRO 101 HB2 PRO 101 -11.792 -3.242 6.311 776 HB3 PRO 101 HB3 PRO 101 -12.998 -4.534 6.052 777 HG2 PRO 101 HG2 PRO 101 -10.029 -4.635 5.489 778 HG3 PRO 101 HG3 PRO 101 -11.070 -5.845 6.320 779 HD2 PRO 101 HD2 PRO 101 -10.386 -6.067 3.683 780 HD3 PRO 101 HD3 PRO 101 -11.979 -6.603 4.288 781 H VAL 102 H VAL 102 -13.052 -1.229 4.786 782 HA VAL 102 HA VAL 102 -10.564 0.074 3.931 783 HB VAL 102 HB VAL 102 -12.181 1.920 2.999 784 HG11 VAL 102 HG11 VAL 102 -11.867 1.124 0.735 785 HG12 VAL 102 HG12 VAL 102 -10.419 0.915 1.717 786 HG13 VAL 102 HG13 VAL 102 -11.441 -0.502 1.345 787 HG21 VAL 102 HG21 VAL 102 -13.861 -0.516 2.306 788 HG22 VAL 102 HG22 VAL 102 -14.303 0.732 3.502 789 HG23 VAL 102 HG23 VAL 102 -14.108 1.161 1.796 790 H ALA 103 H ALA 103 -10.530 2.284 4.661 791 HA ALA 103 HA ALA 103 -11.673 2.684 7.370 792 HB1 ALA 103 HB1 ALA 103 -9.695 4.090 7.711 793 HB2 ALA 103 HB2 ALA 103 -9.176 2.465 7.178 794 HB3 ALA 103 HB3 ALA 103 -9.185 3.828 6.046 795 H VAL 104 H VAL 104 -13.558 3.126 5.720 796 HA VAL 104 HA VAL 104 -13.452 5.850 4.558 797 HB VAL 104 HB VAL 104 -15.835 5.350 3.959 798 HG11 VAL 104 HG11 VAL 104 -14.346 4.993 2.192 799 HG12 VAL 104 HG12 VAL 104 -13.702 3.494 2.892 800 HG13 VAL 104 HG13 VAL 104 -15.351 3.555 2.235 801 HG21 VAL 104 HG21 VAL 104 -16.711 3.105 4.119 802 HG22 VAL 104 HG22 VAL 104 -15.252 2.533 4.947 803 HG23 VAL 104 HG23 VAL 104 -16.310 3.753 5.720 804 H ASN 105 H ASN 105 -15.373 7.245 5.205 805 HA ASN 105 HA ASN 105 -16.172 6.944 8.049 806 HB2 ASN 105 HB2 ASN 105 -14.107 8.318 8.011 807 HB3 ASN 105 HB3 ASN 105 -14.876 9.441 6.885 808 HD21 ASN 105 HD21 ASN 105 -16.698 10.842 7.731 809 HD22 ASN 105 HD22 ASN 105 -16.807 11.008 9.470 810 H LYS 106 H LYS 106 -18.316 6.689 7.630 811 HA LYS 106 HA LYS 106 -20.424 7.116 7.024 812 HB2 LYS 106 HB2 LYS 106 -19.488 9.991 6.942 813 HB3 LYS 106 HB3 LYS 106 -21.153 9.453 7.029 814 HG2 LYS 106 HG2 LYS 106 -20.815 8.511 9.260 815 HG3 LYS 106 HG3 LYS 106 -19.093 8.918 9.192 816 HD2 LYS 106 HD2 LYS 106 -20.135 10.650 10.475 817 HD3 LYS 106 HD3 LYS 106 -19.684 11.329 8.921 818 HE2 LYS 106 HE2 LYS 106 -21.805 12.208 9.223 819 HE3 LYS 106 HE3 LYS 106 -22.154 10.807 8.207 820 HZ1 LYS 106 HZ1 LYS 106 -22.502 11.065 11.122 821 HZ2 LYS 106 HZ2 LYS 106 -22.728 9.617 10.339 822 HZ3 LYS 106 HZ3 LYS 106 -23.683 10.927 10.036 823 H SER 107 H SER 107 -18.284 6.935 4.770 824 HA SER 107 HA SER 107 -19.493 8.137 2.401 825 HB2 SER 107 HB2 SER 107 -16.982 7.646 2.992 826 HB3 SER 107 HB3 SER 107 -17.343 5.977 2.575 827 HG SER 107 HG SER 107 -16.388 7.222 0.880 828 H GLN 108 H GLN 108 -21.481 6.833 3.604 829 HA GLN 108 HA GLN 108 -23.052 5.244 3.551 830 HB2 GLN 108 HB2 GLN 108 -22.903 5.950 1.065 831 HB3 GLN 108 HB3 GLN 108 -22.116 4.387 0.802 832 HG2 GLN 108 HG2 GLN 108 -24.141 3.297 1.908 833 HG3 GLN 108 HG3 GLN 108 -24.874 4.899 2.004 834 HE21 GLN 108 HE21 GLN 108 -23.769 2.366 -0.227 835 HE22 GLN 108 HE22 GLN 108 -24.829 2.814 -1.548 Start of MODEL 15 1 H ALA 1 H ALA 1 13.145 -9.442 -4.433 2 HA ALA 1 HA ALA 1 12.576 -7.105 -4.708 3 HB1 ALA 1 HB1 ALA 1 12.290 -8.584 -7.360 4 HB2 ALA 1 HB2 ALA 1 12.813 -6.909 -7.155 5 HB3 ALA 1 HB3 ALA 1 13.844 -8.222 -6.577 6 H LEU 2 H LEU 2 11.169 -5.693 -6.257 7 HA LEU 2 HA LEU 2 8.473 -5.820 -5.406 8 HB2 LEU 2 HB2 LEU 2 10.123 -4.133 -7.245 9 HB3 LEU 2 HB3 LEU 2 8.386 -4.063 -7.506 10 HG LEU 2 HG LEU 2 9.529 -3.865 -4.721 11 HD11 LEU 2 HD11 LEU 2 9.084 -1.502 -6.548 12 HD12 LEU 2 HD12 LEU 2 10.649 -2.121 -5.931 13 HD13 LEU 2 HD13 LEU 2 9.475 -1.431 -4.809 14 HD21 LEU 2 HD21 LEU 2 7.073 -4.203 -4.946 15 HD22 LEU 2 HD22 LEU 2 7.003 -2.751 -5.975 16 HD23 LEU 2 HD23 LEU 2 7.441 -2.614 -4.272 17 H THR 3 H THR 3 7.242 -7.469 -5.857 18 HA THR 3 HA THR 3 6.834 -8.350 -8.675 19 HB THR 3 HB THR 3 6.942 -9.830 -6.022 20 HG1 THR 3 HG1 THR 3 8.494 -9.951 -8.412 21 HG21 THR 3 HG21 THR 3 5.245 -10.998 -7.329 22 HG22 THR 3 HG22 THR 3 6.731 -11.946 -7.339 23 HG23 THR 3 HG23 THR 3 6.288 -10.993 -8.773 24 H THR 4 H THR 4 4.623 -9.099 -9.135 25 HA THR 4 HA THR 4 2.542 -7.517 -7.823 26 HB THR 4 HB THR 4 2.351 -9.281 -10.293 27 HG1 THR 4 HG1 THR 4 3.210 -7.757 -11.555 28 HG21 THR 4 HG21 THR 4 1.057 -7.311 -11.199 29 HG22 THR 4 HG22 THR 4 1.077 -6.665 -9.539 30 HG23 THR 4 HG23 THR 4 0.343 -8.265 -9.928 31 H ILE 5 H ILE 5 0.741 -8.544 -6.690 32 HA ILE 5 HA ILE 5 0.592 -11.486 -6.802 33 HB ILE 5 HB ILE 5 0.333 -11.867 -4.523 34 HG12 ILE 5 HG12 ILE 5 -0.933 -10.051 -3.710 35 HG13 ILE 5 HG13 ILE 5 0.468 -10.259 -2.715 36 HG21 ILE 5 HG21 ILE 5 2.667 -11.739 -5.271 37 HG22 ILE 5 HG22 ILE 5 2.767 -10.028 -4.802 38 HG23 ILE 5 HG23 ILE 5 2.502 -11.289 -3.579 39 HD11 ILE 5 HD11 ILE 5 -0.191 -8.093 -4.725 40 HD12 ILE 5 HD12 ILE 5 0.103 -7.914 -2.981 41 HD13 ILE 5 HD13 ILE 5 1.455 -8.284 -4.064 42 H SER 6 H SER 6 -1.577 -12.417 -5.996 43 HA SER 6 HA SER 6 -3.672 -11.103 -7.308 44 HB2 SER 6 HB2 SER 6 -3.925 -13.088 -5.008 45 HB3 SER 6 HB3 SER 6 -5.134 -12.744 -6.244 46 HG SER 6 HG SER 6 -3.560 -13.466 -7.815 47 HA PRO 7 HA PRO 7 -4.967 -7.926 -4.633 48 HB2 PRO 7 HB2 PRO 7 -7.735 -7.957 -4.698 49 HB3 PRO 7 HB3 PRO 7 -6.675 -7.275 -5.949 50 HG2 PRO 7 HG2 PRO 7 -7.925 -10.027 -5.902 51 HG3 PRO 7 HG3 PRO 7 -7.846 -8.865 -7.267 52 HD2 PRO 7 HD2 PRO 7 -6.093 -10.911 -7.094 53 HD3 PRO 7 HD3 PRO 7 -5.533 -9.283 -7.577 54 H HIS 8 H HIS 8 -6.955 -10.905 -3.908 55 HA HIS 8 HA HIS 8 -7.287 -10.143 -1.175 56 HB2 HIS 8 HB2 HIS 8 -8.652 -11.806 -2.431 57 HB3 HIS 8 HB3 HIS 8 -7.295 -12.951 -2.334 58 HD1 HIS 8 HD1 HIS 8 -9.959 -11.292 -0.073 59 HD2 HIS 8 HD2 HIS 8 -6.701 -13.972 0.092 60 HE1 HIS 8 HE1 HIS 8 -9.880 -12.201 2.301 61 H ASP 9 H ASP 9 -4.680 -11.835 -2.846 62 HA ASP 9 HA ASP 9 -3.425 -13.109 -0.684 63 HB2 ASP 9 HB2 ASP 9 -2.804 -13.178 -3.215 64 HB3 ASP 9 HB3 ASP 9 -1.823 -11.772 -2.881 65 H ALA 10 H ALA 10 -3.263 -9.717 -1.689 66 HA ALA 10 HA ALA 10 -1.125 -8.903 0.030 67 HB1 ALA 10 HB1 ALA 10 -3.574 -7.327 -0.865 68 HB2 ALA 10 HB2 ALA 10 -2.166 -6.624 -0.045 69 HB3 ALA 10 HB3 ALA 10 -1.969 -7.403 -1.624 70 H GLN 11 H GLN 11 -4.687 -8.930 0.749 71 HA GLN 11 HA GLN 11 -4.582 -8.032 3.410 72 HB2 GLN 11 HB2 GLN 11 -6.504 -8.516 1.684 73 HB3 GLN 11 HB3 GLN 11 -6.583 -10.088 2.446 74 HG2 GLN 11 HG2 GLN 11 -6.715 -7.509 4.072 75 HG3 GLN 11 HG3 GLN 11 -8.067 -8.133 3.221 76 HE21 GLN 11 HE21 GLN 11 -9.435 -9.364 4.458 77 HE22 GLN 11 HE22 GLN 11 -8.952 -10.219 5.903 78 H GLU 12 H GLU 12 -4.554 -11.323 2.046 79 HA GLU 12 HA GLU 12 -4.326 -12.863 4.404 80 HB2 GLU 12 HB2 GLU 12 -4.894 -13.512 2.044 81 HB3 GLU 12 HB3 GLU 12 -3.218 -13.323 1.607 82 HG2 GLU 12 HG2 GLU 12 -3.717 -15.639 1.963 83 HG3 GLU 12 HG3 GLU 12 -2.504 -15.048 3.088 84 H LEU 13 H LEU 13 -1.785 -11.251 2.439 85 HA LEU 13 HA LEU 13 0.372 -12.492 3.930 86 HB2 LEU 13 HB2 LEU 13 0.278 -9.976 2.258 87 HB3 LEU 13 HB3 LEU 13 1.754 -10.554 3.001 88 HG LEU 13 HG LEU 13 0.191 -12.383 1.157 89 HD11 LEU 13 HD11 LEU 13 1.569 -11.623 -0.690 90 HD12 LEU 13 HD12 LEU 13 2.376 -10.402 0.367 91 HD13 LEU 13 HD13 LEU 13 0.653 -10.280 -0.050 92 HD21 LEU 13 HD21 LEU 13 3.122 -12.274 1.976 93 HD22 LEU 13 HD22 LEU 13 2.363 -13.466 0.883 94 HD23 LEU 13 HD23 LEU 13 1.904 -13.416 2.584 95 H ILE 14 H ILE 14 -1.318 -9.346 4.186 96 HA ILE 14 HA ILE 14 0.198 -8.306 6.373 97 HB ILE 14 HB ILE 14 -2.652 -7.770 5.504 98 HG12 ILE 14 HG12 ILE 14 -0.418 -5.805 4.990 99 HG13 ILE 14 HG13 ILE 14 -0.460 -7.238 4.006 100 HG21 ILE 14 HG21 ILE 14 -2.353 -5.564 6.653 101 HG22 ILE 14 HG22 ILE 14 -2.364 -6.926 7.776 102 HG23 ILE 14 HG23 ILE 14 -0.818 -6.166 7.332 103 HD11 ILE 14 HD11 ILE 14 -2.753 -5.261 4.279 104 HD12 ILE 14 HD12 ILE 14 -1.704 -5.508 2.857 105 HD13 ILE 14 HD13 ILE 14 -2.813 -6.780 3.370 106 H ALA 15 H ALA 15 -2.752 -10.300 6.223 107 HA ALA 15 HA ALA 15 -3.286 -10.477 8.996 108 HB1 ALA 15 HB1 ALA 15 -4.931 -11.219 7.344 109 HB2 ALA 15 HB2 ALA 15 -3.803 -12.435 6.713 110 HB3 ALA 15 HB3 ALA 15 -4.424 -12.615 8.341 111 H ARG 16 H ARG 16 -1.239 -12.530 6.884 112 HA ARG 16 HA ARG 16 -0.528 -14.375 8.983 113 HB2 ARG 16 HB2 ARG 16 0.733 -13.755 6.281 114 HB3 ARG 16 HB3 ARG 16 1.270 -15.054 7.341 115 HG2 ARG 16 HG2 ARG 16 -0.835 -16.223 7.145 116 HG3 ARG 16 HG3 ARG 16 -1.631 -14.871 6.412 117 HD2 ARG 16 HD2 ARG 16 -0.098 -14.959 4.466 118 HD3 ARG 16 HD3 ARG 16 0.752 -16.307 5.233 119 HE ARG 16 HE ARG 16 -2.145 -16.615 4.862 120 HH11 ARG 16 HH11 ARG 16 0.979 -17.425 3.388 121 HH12 ARG 16 HH12 ARG 16 0.277 -18.398 2.141 122 HH21 ARG 16 HH21 ARG 16 -3.032 -17.755 3.311 123 HH22 ARG 16 HH22 ARG 16 -2.155 -18.600 2.054 124 H GLY 17 H GLY 17 1.223 -11.609 7.507 125 HA2 GLY 17 HA2 GLY 17 2.290 -10.690 9.947 126 HA3 GLY 17 HA3 GLY 17 3.449 -11.841 9.293 127 H ALA 18 H ALA 18 1.574 -9.696 7.099 128 HA ALA 18 HA ALA 18 4.139 -8.314 6.471 129 HB1 ALA 18 HB1 ALA 18 3.088 -9.625 4.635 130 HB2 ALA 18 HB2 ALA 18 1.688 -8.527 4.685 131 HB3 ALA 18 HB3 ALA 18 3.286 -7.915 4.259 132 H LYS 19 H LYS 19 3.351 -6.036 5.283 133 HA LYS 19 HA LYS 19 1.557 -4.564 7.144 134 HB2 LYS 19 HB2 LYS 19 4.474 -4.241 6.781 135 HB3 LYS 19 HB3 LYS 19 3.628 -2.757 6.416 136 HG2 LYS 19 HG2 LYS 19 3.422 -4.351 8.998 137 HG3 LYS 19 HG3 LYS 19 4.432 -2.916 8.774 138 HD2 LYS 19 HD2 LYS 19 2.646 -1.450 8.764 139 HD3 LYS 19 HD3 LYS 19 1.460 -2.628 8.228 140 HE2 LYS 19 HE2 LYS 19 2.776 -2.857 10.953 141 HE3 LYS 19 HE3 LYS 19 1.375 -1.810 10.670 142 HZ1 LYS 19 HZ1 LYS 19 1.434 -4.733 10.284 143 HZ2 LYS 19 HZ2 LYS 19 0.129 -3.717 9.941 144 HZ3 LYS 19 HZ3 LYS 19 0.627 -3.917 11.443 145 H LEU 20 H LEU 20 0.797 -2.450 6.154 146 HA LEU 20 HA LEU 20 0.935 -2.540 3.200 147 HB2 LEU 20 HB2 LEU 20 -1.250 -3.341 4.256 148 HB3 LEU 20 HB3 LEU 20 -1.507 -1.736 4.812 149 HG LEU 20 HG LEU 20 -1.562 -0.842 2.536 150 HD11 LEU 20 HD11 LEU 20 0.022 -2.353 1.370 151 HD12 LEU 20 HD12 LEU 20 -1.534 -2.344 0.591 152 HD13 LEU 20 HD13 LEU 20 -1.096 -3.712 1.610 153 HD21 LEU 20 HD21 LEU 20 -3.284 -3.352 2.772 154 HD22 LEU 20 HD22 LEU 20 -3.620 -1.933 1.769 155 HD23 LEU 20 HD23 LEU 20 -3.649 -1.806 3.543 156 H ILE 21 H ILE 21 2.024 -0.827 2.499 157 HA ILE 21 HA ILE 21 1.864 1.723 4.032 158 HB ILE 21 HB ILE 21 4.096 0.329 2.550 159 HG12 ILE 21 HG12 ILE 21 5.382 1.076 4.517 160 HG13 ILE 21 HG13 ILE 21 4.011 1.988 5.127 161 HG21 ILE 21 HG21 ILE 21 5.328 2.607 2.725 162 HG22 ILE 21 HG22 ILE 21 4.176 2.379 1.414 163 HG23 ILE 21 HG23 ILE 21 3.695 3.323 2.805 164 HD11 ILE 21 HD11 ILE 21 3.818 -1.015 4.731 165 HD12 ILE 21 HD12 ILE 21 4.551 -0.342 6.181 166 HD13 ILE 21 HD13 ILE 21 2.870 0.043 5.812 167 H ASP 22 H ASP 22 0.362 2.942 3.128 168 HA ASP 22 HA ASP 22 -0.368 2.684 0.296 169 HB2 ASP 22 HB2 ASP 22 -2.020 3.018 2.172 170 HB3 ASP 22 HB3 ASP 22 -1.331 4.638 2.422 171 H ILE 23 H ILE 23 0.816 3.708 -1.179 172 HA ILE 23 HA ILE 23 2.456 6.038 -0.396 173 HB ILE 23 HB ILE 23 3.876 5.529 -2.299 174 HG12 ILE 23 HG12 ILE 23 2.350 2.921 -2.648 175 HG13 ILE 23 HG13 ILE 23 2.061 4.338 -3.660 176 HG21 ILE 23 HG21 ILE 23 3.521 3.015 -0.634 177 HG22 ILE 23 HG22 ILE 23 5.018 3.620 -1.363 178 HG23 ILE 23 HG23 ILE 23 4.283 4.493 -0.021 179 HD11 ILE 23 HD11 ILE 23 4.328 4.245 -4.540 180 HD12 ILE 23 HD12 ILE 23 4.764 2.927 -3.430 181 HD13 ILE 23 HD13 ILE 23 3.578 2.651 -4.701 182 H ARG 24 H ARG 24 -0.655 5.873 -1.508 183 HA ARG 24 HA ARG 24 -0.557 7.243 -3.949 184 HB2 ARG 24 HB2 ARG 24 -2.607 7.055 -1.709 185 HB3 ARG 24 HB3 ARG 24 -2.934 7.744 -3.300 186 HG2 ARG 24 HG2 ARG 24 -2.740 5.723 -4.391 187 HG3 ARG 24 HG3 ARG 24 -1.792 4.931 -3.125 188 HD2 ARG 24 HD2 ARG 24 -4.210 4.166 -3.433 189 HD3 ARG 24 HD3 ARG 24 -3.633 4.478 -1.803 190 HE ARG 24 HE ARG 24 -4.791 6.717 -3.194 191 HH11 ARG 24 HH11 ARG 24 -5.037 4.593 -0.399 192 HH12 ARG 24 HH12 ARG 24 -6.730 4.918 -0.085 193 HH21 ARG 24 HH21 ARG 24 -7.027 7.396 -2.606 194 HH22 ARG 24 HH22 ARG 24 -7.757 6.750 -1.191 195 H ASP 25 H ASP 25 -1.955 8.859 -1.040 196 HA ASP 25 HA ASP 25 -0.066 11.039 -1.039 197 HB2 ASP 25 HB2 ASP 25 -2.740 11.276 -2.466 198 HB3 ASP 25 HB3 ASP 25 -2.129 12.641 -1.544 199 H ALA 26 H ALA 26 -0.566 12.502 0.718 200 HA ALA 26 HA ALA 26 -1.993 11.216 2.896 201 HB1 ALA 26 HB1 ALA 26 -0.068 12.715 3.308 202 HB2 ALA 26 HB2 ALA 26 -0.953 14.075 2.588 203 HB3 ALA 26 HB3 ALA 26 -1.529 13.343 4.098 204 H ASP 27 H ASP 27 -2.667 13.802 0.579 205 HA ASP 27 HA ASP 27 -5.105 14.804 1.570 206 HB2 ASP 27 HB2 ASP 27 -4.195 14.477 -1.326 207 HB3 ASP 27 HB3 ASP 27 -5.554 15.450 -0.810 208 H GLU 28 H GLU 28 -4.405 11.927 -0.349 209 HA GLU 28 HA GLU 28 -7.138 11.250 -1.066 210 HB2 GLU 28 HB2 GLU 28 -4.364 10.023 -1.241 211 HB3 GLU 28 HB3 GLU 28 -5.753 8.995 -1.483 212 HG2 GLU 28 HG2 GLU 28 -5.451 11.612 -3.006 213 HG3 GLU 28 HG3 GLU 28 -4.637 10.137 -3.526 214 H TYR 29 H TYR 29 -4.642 9.909 1.113 215 HA TYR 29 HA TYR 29 -6.147 7.957 2.386 216 HB2 TYR 29 HB2 TYR 29 -3.595 8.567 2.391 217 HB3 TYR 29 HB3 TYR 29 -3.976 9.571 3.776 218 HD1 TYR 29 HD1 TYR 29 -4.944 8.407 5.858 219 HD2 TYR 29 HD2 TYR 29 -3.273 6.262 2.522 220 HE1 TYR 29 HE1 TYR 29 -4.723 6.396 7.270 221 HE2 TYR 29 HE2 TYR 29 -2.981 4.247 3.982 222 HH TYR 29 HH TYR 29 -3.900 4.180 7.390 223 H LEU 30 H LEU 30 -6.041 11.426 2.994 224 HA LEU 30 HA LEU 30 -7.251 11.594 5.515 225 HB2 LEU 30 HB2 LEU 30 -6.540 13.384 3.348 226 HB3 LEU 30 HB3 LEU 30 -8.198 13.725 3.785 227 HG LEU 30 HG LEU 30 -7.480 13.931 6.195 228 HD11 LEU 30 HD11 LEU 30 -5.095 14.276 6.687 229 HD12 LEU 30 HD12 LEU 30 -4.664 13.900 5.000 230 HD13 LEU 30 HD13 LEU 30 -5.333 12.648 6.057 231 HD21 LEU 30 HD21 LEU 30 -6.143 15.772 4.149 232 HD22 LEU 30 HD22 LEU 30 -6.501 16.169 5.855 233 HD23 LEU 30 HD23 LEU 30 -7.821 15.879 4.719 234 H ARG 31 H ARG 31 -8.835 11.365 2.296 235 HA ARG 31 HA ARG 31 -11.495 11.699 3.413 236 HB2 ARG 31 HB2 ARG 31 -10.470 10.794 0.675 237 HB3 ARG 31 HB3 ARG 31 -12.186 10.727 1.141 238 HG2 ARG 31 HG2 ARG 31 -11.974 13.095 1.908 239 HG3 ARG 31 HG3 ARG 31 -10.449 13.212 1.026 240 HD2 ARG 31 HD2 ARG 31 -11.535 12.960 -1.068 241 HD3 ARG 31 HD3 ARG 31 -12.968 12.206 -0.336 242 HE ARG 31 HE ARG 31 -12.656 14.832 0.695 243 HH11 ARG 31 HH11 ARG 31 -13.478 13.312 -2.439 244 HH12 ARG 31 HH12 ARG 31 -14.583 14.523 -2.910 245 HH21 ARG 31 HH21 ARG 31 -14.347 16.286 0.228 246 HH22 ARG 31 HH22 ARG 31 -15.081 16.353 -1.342 247 H GLU 32 H GLU 32 -9.779 8.904 2.038 248 HA GLU 32 HA GLU 32 -10.883 7.203 4.114 249 HB2 GLU 32 HB2 GLU 32 -11.780 5.523 2.499 250 HB3 GLU 32 HB3 GLU 32 -12.801 6.901 2.791 251 HG2 GLU 32 HG2 GLU 32 -10.995 6.719 0.365 252 HG3 GLU 32 HG3 GLU 32 -12.567 5.950 0.416 253 H HIS 33 H HIS 33 -9.842 5.191 4.240 254 HA HIS 33 HA HIS 33 -7.584 4.606 2.438 255 HB2 HIS 33 HB2 HIS 33 -6.089 4.547 4.484 256 HB3 HIS 33 HB3 HIS 33 -6.555 6.127 3.894 257 HD1 HIS 33 HD1 HIS 33 -8.085 7.619 5.454 258 HD2 HIS 33 HD2 HIS 33 -6.873 3.891 6.990 259 HE1 HIS 33 HE1 HIS 33 -8.803 7.586 7.914 260 H ILE 34 H ILE 34 -6.454 2.722 4.287 261 HA ILE 34 HA ILE 34 -8.590 0.686 4.470 262 HB ILE 34 HB ILE 34 -5.649 0.369 3.768 263 HG12 ILE 34 HG12 ILE 34 -8.154 -0.152 2.080 264 HG13 ILE 34 HG13 ILE 34 -7.142 1.284 1.913 265 HG21 ILE 34 HG21 ILE 34 -6.681 -1.551 5.139 266 HG22 ILE 34 HG22 ILE 34 -7.815 -1.757 3.789 267 HG23 ILE 34 HG23 ILE 34 -6.071 -2.014 3.565 268 HD11 ILE 34 HD11 ILE 34 -6.563 -0.324 0.219 269 HD12 ILE 34 HD12 ILE 34 -5.199 -0.107 1.356 270 HD13 ILE 34 HD13 ILE 34 -6.227 -1.549 1.441 271 HA PRO 35 HA PRO 35 -7.465 1.102 8.793 272 HB2 PRO 35 HB2 PRO 35 -8.436 -1.296 9.777 273 HB3 PRO 35 HB3 PRO 35 -9.469 0.103 9.357 274 HG2 PRO 35 HG2 PRO 35 -8.844 -2.343 7.692 275 HG3 PRO 35 HG3 PRO 35 -10.448 -1.559 7.954 276 HD2 PRO 35 HD2 PRO 35 -8.922 -1.164 5.732 277 HD3 PRO 35 HD3 PRO 35 -9.868 0.160 6.384 278 H GLU 36 H GLU 36 -6.666 -1.803 6.985 279 HA GLU 36 HA GLU 36 -4.632 -2.758 8.739 280 HB2 GLU 36 HB2 GLU 36 -5.154 -3.494 5.852 281 HB3 GLU 36 HB3 GLU 36 -4.132 -4.383 6.973 282 HG2 GLU 36 HG2 GLU 36 -7.069 -3.847 7.481 283 HG3 GLU 36 HG3 GLU 36 -6.487 -5.287 6.682 284 H ALA 37 H ALA 37 -4.511 0.044 6.886 285 HA ALA 37 HA ALA 37 -1.630 -0.307 6.265 286 HB1 ALA 37 HB1 ALA 37 -3.081 0.218 4.286 287 HB2 ALA 37 HB2 ALA 37 -3.568 1.721 5.090 288 HB3 ALA 37 HB3 ALA 37 -1.868 1.452 4.617 289 H ASP 38 H ASP 38 -0.537 1.813 6.245 290 HA ASP 38 HA ASP 38 -1.083 3.125 8.910 291 HB2 ASP 38 HB2 ASP 38 1.024 1.739 8.658 292 HB3 ASP 38 HB3 ASP 38 1.667 3.084 7.703 293 H LEU 39 H LEU 39 0.829 4.077 6.109 294 HA LEU 39 HA LEU 39 -0.086 5.755 4.516 295 HB2 LEU 39 HB2 LEU 39 -1.507 6.986 6.041 296 HB3 LEU 39 HB3 LEU 39 -0.105 7.273 7.092 297 HG LEU 39 HG LEU 39 0.857 8.794 5.411 298 HD11 LEU 39 HD11 LEU 39 -1.642 8.221 3.775 299 HD12 LEU 39 HD12 LEU 39 -0.008 7.750 3.316 300 HD13 LEU 39 HD13 LEU 39 -0.448 9.461 3.398 301 HD21 LEU 39 HD21 LEU 39 -2.058 9.435 5.997 302 HD22 LEU 39 HD22 LEU 39 -0.803 10.605 5.540 303 HD23 LEU 39 HD23 LEU 39 -0.679 9.738 7.074 304 H ALA 40 H ALA 40 1.661 6.349 3.350 305 HA ALA 40 HA ALA 40 3.995 7.641 4.391 306 HB1 ALA 40 HB1 ALA 40 5.320 5.900 4.879 307 HB2 ALA 40 HB2 ALA 40 4.132 4.723 4.346 308 HB3 ALA 40 HB3 ALA 40 5.312 5.437 3.198 309 HA PRO 41 HA PRO 41 2.300 8.193 0.121 310 HB2 PRO 41 HB2 PRO 41 2.503 10.965 0.063 311 HB3 PRO 41 HB3 PRO 41 1.084 10.034 0.663 312 HG2 PRO 41 HG2 PRO 41 3.280 11.373 2.178 313 HG3 PRO 41 HG3 PRO 41 1.550 11.258 2.603 314 HD2 PRO 41 HD2 PRO 41 3.552 9.691 3.681 315 HD3 PRO 41 HD3 PRO 41 1.859 9.161 3.555 316 H LEU 42 H LEU 42 3.423 8.518 -1.816 317 HA LEU 42 HA LEU 42 6.197 8.257 -1.754 318 HB2 LEU 42 HB2 LEU 42 4.337 8.033 -3.696 319 HB3 LEU 42 HB3 LEU 42 5.051 9.551 -4.175 320 HG LEU 42 HG LEU 42 6.513 8.418 -5.339 321 HD11 LEU 42 HD11 LEU 42 7.995 8.760 -3.301 322 HD12 LEU 42 HD12 LEU 42 8.466 7.498 -4.425 323 HD13 LEU 42 HD13 LEU 42 7.692 7.075 -2.879 324 HD21 LEU 42 HD21 LEU 42 5.729 5.992 -3.718 325 HD22 LEU 42 HD22 LEU 42 6.683 5.945 -5.240 326 HD23 LEU 42 HD23 LEU 42 4.997 6.510 -5.261 327 H SER 43 H SER 43 4.137 11.188 -1.991 328 HA SER 43 HA SER 43 6.203 13.038 -2.572 329 HB2 SER 43 HB2 SER 43 3.461 13.468 -1.354 330 HB3 SER 43 HB3 SER 43 4.537 14.743 -1.999 331 HG SER 43 HG SER 43 3.021 14.007 -3.568 332 H VAL 44 H VAL 44 5.925 11.268 0.263 333 HA VAL 44 HA VAL 44 7.487 13.326 1.791 334 HB VAL 44 HB VAL 44 5.504 11.237 2.806 335 HG11 VAL 44 HG11 VAL 44 7.301 13.093 4.423 336 HG12 VAL 44 HG12 VAL 44 5.974 12.099 5.074 337 HG13 VAL 44 HG13 VAL 44 7.385 11.317 4.370 338 HG21 VAL 44 HG21 VAL 44 4.469 13.365 1.957 339 HG22 VAL 44 HG22 VAL 44 4.264 13.158 3.695 340 HG23 VAL 44 HG23 VAL 44 5.491 14.283 3.079 341 H LEU 45 H LEU 45 7.054 9.925 0.832 342 HA LEU 45 HA LEU 45 9.302 8.874 2.223 343 HB2 LEU 45 HB2 LEU 45 7.361 7.986 0.159 344 HB3 LEU 45 HB3 LEU 45 8.954 7.294 -0.036 345 HG LEU 45 HG LEU 45 8.914 6.452 2.291 346 HD11 LEU 45 HD11 LEU 45 6.184 7.657 2.593 347 HD12 LEU 45 HD12 LEU 45 7.646 8.260 3.372 348 HD13 LEU 45 HD13 LEU 45 7.113 6.660 3.776 349 HD21 LEU 45 HD21 LEU 45 7.269 4.738 2.031 350 HD22 LEU 45 HD22 LEU 45 7.971 5.110 0.447 351 HD23 LEU 45 HD23 LEU 45 6.362 5.729 0.852 352 H GLU 46 H GLU 46 9.038 10.290 -1.001 353 HA GLU 46 HA GLU 46 11.646 9.582 -1.880 354 HB2 GLU 46 HB2 GLU 46 9.833 11.878 -2.591 355 HB3 GLU 46 HB3 GLU 46 11.468 11.806 -3.225 356 HG2 GLU 46 HG2 GLU 46 10.213 9.212 -3.590 357 HG3 GLU 46 HG3 GLU 46 9.108 10.436 -4.160 358 H GLN 47 H GLN 47 10.568 12.125 0.316 359 HA GLN 47 HA GLN 47 13.221 13.345 0.598 360 HB2 GLN 47 HB2 GLN 47 10.508 13.958 1.789 361 HB3 GLN 47 HB3 GLN 47 11.988 14.758 2.306 362 HG2 GLN 47 HG2 GLN 47 12.381 15.726 0.157 363 HG3 GLN 47 HG3 GLN 47 11.064 14.791 -0.560 364 HE21 GLN 47 HE21 GLN 47 8.881 15.100 0.678 365 HE22 GLN 47 HE22 GLN 47 8.468 16.732 1.193 366 H SER 48 H SER 48 10.900 12.529 3.108 367 HA SER 48 HA SER 48 12.821 12.115 5.146 368 HB2 SER 48 HB2 SER 48 10.473 13.088 5.259 369 HB3 SER 48 HB3 SER 48 9.856 11.444 5.064 370 HG SER 48 HG SER 48 10.007 12.207 7.248 371 H GLY 49 H GLY 49 11.110 9.848 3.055 372 HA2 GLY 49 HA2 GLY 49 11.609 7.568 2.758 373 HA3 GLY 49 HA3 GLY 49 12.674 7.619 4.170 374 H LEU 50 H LEU 50 11.468 5.499 4.383 375 HA LEU 50 HA LEU 50 8.769 5.640 5.529 376 HB2 LEU 50 HB2 LEU 50 9.342 4.128 3.723 377 HB3 LEU 50 HB3 LEU 50 10.581 3.341 4.692 378 HG LEU 50 HG LEU 50 7.613 3.367 5.414 379 HD11 LEU 50 HD11 LEU 50 7.583 1.077 4.471 380 HD12 LEU 50 HD12 LEU 50 9.179 1.353 3.784 381 HD13 LEU 50 HD13 LEU 50 7.800 2.344 3.238 382 HD21 LEU 50 HD21 LEU 50 8.899 2.689 7.277 383 HD22 LEU 50 HD22 LEU 50 10.040 1.734 6.297 384 HD23 LEU 50 HD23 LEU 50 8.378 1.184 6.541 385 HA PRO 51 HA PRO 51 10.566 5.769 9.624 386 HB2 PRO 51 HB2 PRO 51 8.465 4.958 11.191 387 HB3 PRO 51 HB3 PRO 51 8.533 6.531 10.369 388 HG2 PRO 51 HG2 PRO 51 7.156 4.018 9.462 389 HG3 PRO 51 HG3 PRO 51 6.505 5.689 9.476 390 HD2 PRO 51 HD2 PRO 51 7.529 4.540 7.216 391 HD3 PRO 51 HD3 PRO 51 7.756 6.269 7.550 392 H ALA 52 H ALA 52 11.317 4.549 11.427 393 HA ALA 52 HA ALA 52 12.093 1.902 10.898 394 HB1 ALA 52 HB1 ALA 52 12.903 1.939 13.249 395 HB2 ALA 52 HB2 ALA 52 13.354 3.404 12.351 396 HB3 ALA 52 HB3 ALA 52 12.001 3.452 13.487 397 H LYS 53 H LYS 53 9.017 2.909 11.855 398 HA LYS 53 HA LYS 53 8.355 0.526 13.486 399 HB2 LYS 53 HB2 LYS 53 6.483 2.695 12.484 400 HB3 LYS 53 HB3 LYS 53 6.215 1.550 13.791 401 HG2 LYS 53 HG2 LYS 53 8.105 3.931 13.753 402 HG3 LYS 53 HG3 LYS 53 6.606 3.769 14.661 403 HD2 LYS 53 HD2 LYS 53 7.660 1.930 16.013 404 HD3 LYS 53 HD3 LYS 53 9.192 2.219 15.133 405 HE2 LYS 53 HE2 LYS 53 8.965 4.671 15.795 406 HE3 LYS 53 HE3 LYS 53 7.631 4.203 16.847 407 HZ1 LYS 53 HZ1 LYS 53 10.442 3.271 17.067 408 HZ2 LYS 53 HZ2 LYS 53 9.191 2.780 18.061 409 HZ3 LYS 53 HZ3 LYS 53 9.706 4.338 18.025 410 H LEU 54 H LEU 54 7.849 1.793 10.188 411 HA LEU 54 HA LEU 54 5.923 -0.384 9.582 412 HB2 LEU 54 HB2 LEU 54 6.865 2.086 8.080 413 HB3 LEU 54 HB3 LEU 54 5.709 0.948 7.426 414 HG LEU 54 HG LEU 54 5.318 2.645 9.913 415 HD11 LEU 54 HD11 LEU 54 5.344 3.851 7.689 416 HD12 LEU 54 HD12 LEU 54 3.805 3.941 8.529 417 HD13 LEU 54 HD13 LEU 54 3.996 2.824 7.173 418 HD21 LEU 54 HD21 LEU 54 3.291 0.870 8.480 419 HD22 LEU 54 HD22 LEU 54 3.063 1.833 9.964 420 HD23 LEU 54 HD23 LEU 54 4.083 0.444 10.012 421 H ARG 55 H ARG 55 9.150 0.041 9.328 422 HA ARG 55 HA ARG 55 9.732 -1.132 6.770 423 HB2 ARG 55 HB2 ARG 55 12.055 -1.127 7.482 424 HB3 ARG 55 HB3 ARG 55 11.280 0.426 7.820 425 HG2 ARG 55 HG2 ARG 55 11.255 0.104 10.100 426 HG3 ARG 55 HG3 ARG 55 11.385 -1.648 10.014 427 HD2 ARG 55 HD2 ARG 55 13.681 -1.556 9.311 428 HD3 ARG 55 HD3 ARG 55 13.597 0.190 9.043 429 HE ARG 55 HE ARG 55 14.286 0.466 11.137 430 HH11 ARG 55 HH11 ARG 55 12.443 -2.598 11.182 431 HH12 ARG 55 HH12 ARG 55 12.688 -2.867 12.860 432 HH21 ARG 55 HH21 ARG 55 14.667 0.020 13.386 433 HH22 ARG 55 HH22 ARG 55 14.082 -1.432 14.090 434 H HIS 56 H HIS 56 8.024 -2.707 8.320 435 HA HIS 56 HA HIS 56 9.164 -5.018 9.540 436 HB2 HIS 56 HB2 HIS 56 6.529 -4.446 8.141 437 HB3 HIS 56 HB3 HIS 56 6.930 -6.047 8.720 438 HD1 HIS 56 HD1 HIS 56 4.846 -5.818 10.527 439 HD2 HIS 56 HD2 HIS 56 8.109 -3.181 10.997 440 HE1 HIS 56 HE1 HIS 56 4.676 -4.867 12.860 441 H GLU 57 H GLU 57 9.252 -7.182 8.711 442 HA GLU 57 HA GLU 57 11.042 -7.688 6.718 443 HB2 GLU 57 HB2 GLU 57 8.789 -9.330 7.884 444 HB3 GLU 57 HB3 GLU 57 9.905 -10.036 6.724 445 HG2 GLU 57 HG2 GLU 57 11.767 -9.863 8.151 446 HG3 GLU 57 HG3 GLU 57 10.994 -8.649 9.184 447 H GLN 58 H GLN 58 7.464 -7.670 6.198 448 HA GLN 58 HA GLN 58 8.024 -7.546 3.323 449 HB2 GLN 58 HB2 GLN 58 5.915 -9.480 4.399 450 HB3 GLN 58 HB3 GLN 58 6.435 -9.196 2.704 451 HG2 GLN 58 HG2 GLN 58 8.749 -10.055 3.463 452 HG3 GLN 58 HG3 GLN 58 7.973 -10.570 4.934 453 HE21 GLN 58 HE21 GLN 58 8.529 -12.778 4.476 454 HE22 GLN 58 HE22 GLN 58 7.792 -13.673 3.144 455 H ILE 59 H ILE 59 6.875 -5.972 2.418 456 HA ILE 59 HA ILE 59 4.407 -5.150 3.768 457 HB ILE 59 HB ILE 59 4.933 -2.967 4.008 458 HG12 ILE 59 HG12 ILE 59 7.360 -3.297 2.221 459 HG13 ILE 59 HG13 ILE 59 5.836 -2.546 1.750 460 HG21 ILE 59 HG21 ILE 59 6.910 -2.782 5.383 461 HG22 ILE 59 HG22 ILE 59 6.278 -4.399 5.632 462 HG23 ILE 59 HG23 ILE 59 7.671 -4.158 4.580 463 HD11 ILE 59 HD11 ILE 59 7.824 -1.458 3.741 464 HD12 ILE 59 HD12 ILE 59 7.290 -0.767 2.197 465 HD13 ILE 59 HD13 ILE 59 6.165 -0.847 3.560 466 H ILE 60 H ILE 60 3.210 -3.589 2.293 467 HA ILE 60 HA ILE 60 3.569 -4.359 -0.586 468 HB ILE 60 HB ILE 60 1.111 -4.453 1.178 469 HG12 ILE 60 HG12 ILE 60 1.901 -6.828 -0.483 470 HG13 ILE 60 HG13 ILE 60 2.916 -6.513 0.899 471 HG21 ILE 60 HG21 ILE 60 0.475 -3.618 -1.021 472 HG22 ILE 60 HG22 ILE 60 1.286 -5.010 -1.800 473 HG23 ILE 60 HG23 ILE 60 -0.134 -5.263 -0.765 474 HD11 ILE 60 HD11 ILE 60 1.038 -6.549 2.423 475 HD12 ILE 60 HD12 ILE 60 -0.082 -6.827 1.070 476 HD13 ILE 60 HD13 ILE 60 1.140 -8.046 1.472 477 H PHE 61 H PHE 61 3.134 -2.729 -2.067 478 HA PHE 61 HA PHE 61 2.685 0.038 -1.037 479 HB2 PHE 61 HB2 PHE 61 4.324 -1.085 -3.345 480 HB3 PHE 61 HB3 PHE 61 3.954 0.602 -3.213 481 HD1 PHE 61 HD1 PHE 61 4.403 0.773 -0.069 482 HD2 PHE 61 HD2 PHE 61 6.671 -0.779 -3.382 483 HE1 PHE 61 HE1 PHE 61 6.525 1.392 1.074 484 HE2 PHE 61 HE2 PHE 61 8.784 -0.248 -2.163 485 HZ PHE 61 HZ PHE 61 8.701 0.956 -0.023 486 H HIS 62 H HIS 62 0.455 0.429 -1.458 487 HA HIS 62 HA HIS 62 -0.583 -0.249 -4.166 488 HB2 HIS 62 HB2 HIS 62 -2.000 0.794 -1.683 489 HB3 HIS 62 HB3 HIS 62 -2.766 0.454 -3.224 490 HD1 HIS 62 HD1 HIS 62 -0.624 -2.466 -2.913 491 HD2 HIS 62 HD2 HIS 62 -4.100 -1.082 -0.922 492 HE1 HIS 62 HE1 HIS 62 -1.772 -4.460 -1.904 493 H CYS 63 H CYS 63 -1.465 1.327 -5.514 494 HA CYS 63 HA CYS 63 -0.947 4.202 -4.976 495 HB2 CYS 63 HB2 CYS 63 -0.335 2.629 -7.511 496 HB3 CYS 63 HB3 CYS 63 -0.506 4.392 -7.471 497 HG CYS 63 HG CYS 63 1.267 4.826 -5.600 498 H GLN 64 H GLN 64 -2.226 5.429 -6.849 499 HA GLN 64 HA GLN 64 -4.945 5.264 -6.432 500 HB2 GLN 64 HB2 GLN 64 -3.820 7.211 -7.291 501 HB3 GLN 64 HB3 GLN 64 -3.262 6.354 -8.722 502 HG2 GLN 64 HG2 GLN 64 -5.568 6.245 -9.596 503 HG3 GLN 64 HG3 GLN 64 -6.164 7.058 -8.148 504 HE21 GLN 64 HE21 GLN 64 -5.796 9.360 -7.896 505 HE22 GLN 64 HE22 GLN 64 -4.885 10.284 -9.074 506 H ALA 65 H ALA 65 -3.377 4.311 -9.501 507 HA ALA 65 HA ALA 65 -5.355 2.102 -9.823 508 HB1 ALA 65 HB1 ALA 65 -5.575 2.699 -12.180 509 HB2 ALA 65 HB2 ALA 65 -6.083 4.027 -11.126 510 HB3 ALA 65 HB3 ALA 65 -4.495 4.097 -11.931 511 H GLY 66 H GLY 66 -2.271 2.512 -9.150 512 HA2 GLY 66 HA2 GLY 66 -0.385 1.187 -9.434 513 HA3 GLY 66 HA3 GLY 66 -1.379 0.067 -10.378 514 H LYS 67 H LYS 67 -1.108 3.432 -11.344 515 HA LYS 67 HA LYS 67 -0.347 2.872 -13.981 516 HB2 LYS 67 HB2 LYS 67 -1.620 4.796 -13.314 517 HB3 LYS 67 HB3 LYS 67 -0.321 5.388 -12.299 518 HG2 LYS 67 HG2 LYS 67 -0.525 6.729 -14.280 519 HG3 LYS 67 HG3 LYS 67 1.033 5.921 -14.244 520 HD2 LYS 67 HD2 LYS 67 0.193 4.231 -15.860 521 HD3 LYS 67 HD3 LYS 67 -1.372 5.057 -15.917 522 HE2 LYS 67 HE2 LYS 67 1.297 6.427 -16.531 523 HE3 LYS 67 HE3 LYS 67 0.335 5.607 -17.766 524 HZ1 LYS 67 HZ1 LYS 67 -0.667 7.890 -16.175 525 HZ2 LYS 67 HZ2 LYS 67 -1.436 7.088 -17.408 526 HZ3 LYS 67 HZ3 LYS 67 -0.062 7.968 -17.694 527 H ARG 68 H ARG 68 1.827 3.888 -11.266 528 HA ARG 68 HA ARG 68 4.100 2.931 -12.960 529 HB2 ARG 68 HB2 ARG 68 4.020 5.686 -11.665 530 HB3 ARG 68 HB3 ARG 68 5.477 4.908 -12.273 531 HG2 ARG 68 HG2 ARG 68 4.250 4.703 -14.559 532 HG3 ARG 68 HG3 ARG 68 3.122 5.872 -13.867 533 HD2 ARG 68 HD2 ARG 68 4.731 7.114 -15.106 534 HD3 ARG 68 HD3 ARG 68 5.048 7.378 -13.381 535 HE ARG 68 HE ARG 68 6.557 5.220 -14.691 536 HH11 ARG 68 HH11 ARG 68 6.574 8.700 -13.839 537 HH12 ARG 68 HH12 ARG 68 8.293 8.856 -13.861 538 HH21 ARG 68 HH21 ARG 68 8.837 5.480 -14.896 539 HH22 ARG 68 HH22 ARG 68 9.624 6.935 -14.446 540 H THR 69 H THR 69 2.708 1.794 -10.557 541 HA THR 69 HA THR 69 3.968 2.028 -8.183 542 HB THR 69 HB THR 69 3.458 -0.763 -8.705 543 HG1 THR 69 HG1 THR 69 1.897 -0.766 -10.087 544 HG21 THR 69 HG21 THR 69 2.918 0.536 -6.597 545 HG22 THR 69 HG22 THR 69 1.590 -0.477 -7.216 546 HG23 THR 69 HG23 THR 69 1.570 1.262 -7.502 547 H SER 70 H SER 70 4.916 -0.710 -10.363 548 HA SER 70 HA SER 70 7.284 -1.292 -9.085 549 HB2 SER 70 HB2 SER 70 6.991 -2.069 -11.936 550 HB3 SER 70 HB3 SER 70 7.193 -3.074 -10.490 551 HG SER 70 HG SER 70 5.095 -3.479 -11.046 552 H ASN 71 H ASN 71 6.739 1.140 -11.584 553 HA ASN 71 HA ASN 71 9.333 1.137 -12.732 554 HB2 ASN 71 HB2 ASN 71 7.528 3.550 -12.260 555 HB3 ASN 71 HB3 ASN 71 8.923 3.512 -13.323 556 HD21 ASN 71 HD21 ASN 71 8.531 0.862 -14.572 557 HD22 ASN 71 HD22 ASN 71 7.065 1.002 -15.488 558 H ASN 72 H ASN 72 8.224 2.690 -9.756 559 HA ASN 72 HA ASN 72 10.761 4.121 -9.371 560 HB2 ASN 72 HB2 ASN 72 8.134 3.919 -7.895 561 HB3 ASN 72 HB3 ASN 72 9.570 4.411 -7.013 562 HD21 ASN 72 HD21 ASN 72 9.789 6.533 -6.746 563 HD22 ASN 72 HD22 ASN 72 9.232 7.727 -7.901 564 H ALA 73 H ALA 73 10.270 0.867 -9.244 565 HA ALA 73 HA ALA 73 10.879 -0.074 -6.769 566 HB1 ALA 73 HB1 ALA 73 10.286 -1.556 -8.599 567 HB2 ALA 73 HB2 ALA 73 11.748 -1.072 -9.497 568 HB3 ALA 73 HB3 ALA 73 11.877 -2.037 -8.019 569 H ASP 74 H ASP 74 13.159 1.811 -8.585 570 HA ASP 74 HA ASP 74 15.597 0.653 -7.734 571 HB2 ASP 74 HB2 ASP 74 14.524 3.301 -8.810 572 HB3 ASP 74 HB3 ASP 74 16.142 3.216 -8.158 573 H LYS 75 H LYS 75 14.049 3.681 -6.759 574 HA LYS 75 HA LYS 75 15.290 3.722 -4.162 575 HB2 LYS 75 HB2 LYS 75 12.943 5.477 -4.791 576 HB3 LYS 75 HB3 LYS 75 14.407 5.832 -3.895 577 HG2 LYS 75 HG2 LYS 75 14.933 7.042 -5.750 578 HG3 LYS 75 HG3 LYS 75 15.496 5.508 -6.371 579 HD2 LYS 75 HD2 LYS 75 14.134 6.133 -8.119 580 HD3 LYS 75 HD3 LYS 75 12.900 5.288 -7.144 581 HE2 LYS 75 HE2 LYS 75 11.859 7.286 -6.543 582 HE3 LYS 75 HE3 LYS 75 13.381 8.151 -6.421 583 HZ1 LYS 75 HZ1 LYS 75 12.021 7.592 -8.989 584 HZ2 LYS 75 HZ2 LYS 75 13.458 8.402 -8.756 585 HZ3 LYS 75 HZ3 LYS 75 12.090 9.025 -8.168 586 H LEU 76 H LEU 76 11.955 3.015 -5.318 587 HA LEU 76 HA LEU 76 10.771 2.873 -2.727 588 HB2 LEU 76 HB2 LEU 76 10.070 1.444 -5.306 589 HB3 LEU 76 HB3 LEU 76 9.232 1.045 -3.837 590 HG LEU 76 HG LEU 76 9.346 3.791 -5.054 591 HD11 LEU 76 HD11 LEU 76 6.972 3.377 -5.627 592 HD12 LEU 76 HD12 LEU 76 7.035 1.789 -4.844 593 HD13 LEU 76 HD13 LEU 76 7.980 2.089 -6.314 594 HD21 LEU 76 HD21 LEU 76 7.477 4.312 -3.426 595 HD22 LEU 76 HD22 LEU 76 9.027 4.052 -2.639 596 HD23 LEU 76 HD23 LEU 76 7.804 2.767 -2.622 597 H ALA 77 H ALA 77 12.492 0.200 -4.476 598 HA ALA 77 HA ALA 77 11.897 -1.723 -2.438 599 HB1 ALA 77 HB1 ALA 77 13.632 -3.041 -3.429 600 HB2 ALA 77 HB2 ALA 77 12.672 -2.287 -4.707 601 HB3 ALA 77 HB3 ALA 77 14.284 -1.635 -4.294 602 H ALA 78 H ALA 78 14.392 0.806 -2.804 603 HA ALA 78 HA ALA 78 16.103 -0.127 -0.700 604 HB1 ALA 78 HB1 ALA 78 16.774 1.432 -2.604 605 HB2 ALA 78 HB2 ALA 78 15.869 2.708 -1.786 606 HB3 ALA 78 HB3 ALA 78 17.237 1.948 -0.970 607 H ILE 79 H ILE 79 13.595 2.391 -0.889 608 HA ILE 79 HA ILE 79 13.700 3.513 1.641 609 HB ILE 79 HB ILE 79 11.472 3.080 -0.378 610 HG12 ILE 79 HG12 ILE 79 12.550 5.703 0.659 611 HG13 ILE 79 HG13 ILE 79 13.432 4.832 -0.602 612 HG21 ILE 79 HG21 ILE 79 10.093 4.718 0.978 613 HG22 ILE 79 HG22 ILE 79 10.243 3.125 1.703 614 HG23 ILE 79 HG23 ILE 79 11.239 4.477 2.306 615 HD11 ILE 79 HD11 ILE 79 11.924 6.632 -1.452 616 HD12 ILE 79 HD12 ILE 79 11.553 5.036 -2.133 617 HD13 ILE 79 HD13 ILE 79 10.521 5.744 -0.879 618 H ALA 80 H ALA 80 11.894 0.585 0.621 619 HA ALA 80 HA ALA 80 10.925 0.179 3.381 620 HB1 ALA 80 HB1 ALA 80 9.407 -0.294 1.583 621 HB2 ALA 80 HB2 ALA 80 10.597 -1.348 0.784 622 HB3 ALA 80 HB3 ALA 80 9.858 -1.835 2.326 623 H ALA 81 H ALA 81 13.266 -1.466 1.147 624 HA ALA 81 HA ALA 81 13.563 -3.558 2.961 625 HB1 ALA 81 HB1 ALA 81 15.347 -4.356 1.484 626 HB2 ALA 81 HB2 ALA 81 14.017 -3.716 0.547 627 HB3 ALA 81 HB3 ALA 81 15.491 -2.728 0.777 628 HA PRO 82 HA PRO 82 16.227 -5.102 3.148 629 HB2 PRO 82 HB2 PRO 82 16.834 -6.166 5.564 630 HB3 PRO 82 HB3 PRO 82 17.996 -5.346 4.495 631 HG2 PRO 82 HG2 PRO 82 16.488 -4.170 6.848 632 HG3 PRO 82 HG3 PRO 82 18.244 -4.048 6.495 633 HD2 PRO 82 HD2 PRO 82 16.540 -2.049 5.830 634 HD3 PRO 82 HD3 PRO 82 17.822 -2.545 4.709 635 H ALA 83 H ALA 83 14.123 -5.648 2.551 636 HA ALA 83 HA ALA 83 12.490 -7.332 4.090 637 HB1 ALA 83 HB1 ALA 83 10.503 -5.679 4.108 638 HB2 ALA 83 HB2 ALA 83 11.760 -5.283 5.288 639 HB3 ALA 83 HB3 ALA 83 11.633 -4.392 3.749 640 H GLU 84 H GLU 84 10.424 -7.607 2.788 641 HA GLU 84 HA GLU 84 10.930 -7.392 -0.140 642 HB2 GLU 84 HB2 GLU 84 9.211 -9.218 1.572 643 HB3 GLU 84 HB3 GLU 84 8.896 -9.011 -0.126 644 HG2 GLU 84 HG2 GLU 84 10.327 -10.948 0.217 645 HG3 GLU 84 HG3 GLU 84 11.100 -9.736 -0.755 646 H ILE 85 H ILE 85 9.366 -6.583 -1.553 647 HA ILE 85 HA ILE 85 7.141 -5.062 -0.424 648 HB ILE 85 HB ILE 85 7.892 -3.385 -2.308 649 HG12 ILE 85 HG12 ILE 85 10.024 -4.790 -2.799 650 HG13 ILE 85 HG13 ILE 85 10.099 -3.040 -2.746 651 HG21 ILE 85 HG21 ILE 85 8.952 -2.027 -0.540 652 HG22 ILE 85 HG22 ILE 85 7.400 -2.746 -0.097 653 HG23 ILE 85 HG23 ILE 85 8.917 -3.456 0.518 654 HD11 ILE 85 HD11 ILE 85 10.921 -4.758 -0.389 655 HD12 ILE 85 HD12 ILE 85 12.028 -4.203 -1.657 656 HD13 ILE 85 HD13 ILE 85 11.192 -3.027 -0.621 657 H PHE 86 H PHE 86 5.295 -5.075 -1.783 658 HA PHE 86 HA PHE 86 5.545 -6.490 -4.394 659 HB2 PHE 86 HB2 PHE 86 3.440 -7.047 -2.272 660 HB3 PHE 86 HB3 PHE 86 3.570 -7.789 -3.855 661 HD1 PHE 86 HD1 PHE 86 4.980 -7.729 -0.434 662 HD2 PHE 86 HD2 PHE 86 5.213 -9.525 -4.352 663 HE1 PHE 86 HE1 PHE 86 6.391 -9.560 0.481 664 HE2 PHE 86 HE2 PHE 86 6.601 -11.355 -3.426 665 HZ PHE 86 HZ PHE 86 7.222 -11.360 -1.009 666 H LEU 87 H LEU 87 3.752 -6.067 -5.890 667 HA LEU 87 HA LEU 87 2.338 -3.510 -5.528 668 HB2 LEU 87 HB2 LEU 87 2.964 -5.123 -8.029 669 HB3 LEU 87 HB3 LEU 87 2.110 -3.597 -7.956 670 HG LEU 87 HG LEU 87 4.120 -2.908 -8.609 671 HD11 LEU 87 HD11 LEU 87 3.491 -1.743 -6.436 672 HD12 LEU 87 HD12 LEU 87 5.194 -1.616 -6.909 673 HD13 LEU 87 HD13 LEU 87 4.686 -2.737 -5.629 674 HD21 LEU 87 HD21 LEU 87 5.266 -5.078 -8.494 675 HD22 LEU 87 HD22 LEU 87 5.647 -4.783 -6.792 676 HD23 LEU 87 HD23 LEU 87 6.284 -3.710 -8.073 677 H LEU 88 H LEU 88 0.142 -3.436 -6.253 678 HA LEU 88 HA LEU 88 -1.337 -5.998 -6.060 679 HB2 LEU 88 HB2 LEU 88 -1.463 -4.051 -4.330 680 HB3 LEU 88 HB3 LEU 88 -2.491 -3.237 -5.474 681 HG LEU 88 HG LEU 88 -3.663 -4.351 -3.660 682 HD11 LEU 88 HD11 LEU 88 -4.579 -6.006 -5.967 683 HD12 LEU 88 HD12 LEU 88 -4.781 -4.237 -5.953 684 HD13 LEU 88 HD13 LEU 88 -5.463 -5.225 -4.645 685 HD21 LEU 88 HD21 LEU 88 -3.659 -6.657 -3.224 686 HD22 LEU 88 HD22 LEU 88 -1.958 -6.210 -3.447 687 HD23 LEU 88 HD23 LEU 88 -2.815 -7.064 -4.734 688 H GLU 89 H GLU 89 -3.250 -6.180 -7.324 689 HA GLU 89 HA GLU 89 -3.071 -5.514 -10.023 690 HB2 GLU 89 HB2 GLU 89 -5.307 -6.761 -8.364 691 HB3 GLU 89 HB3 GLU 89 -5.271 -6.613 -10.123 692 HG2 GLU 89 HG2 GLU 89 -2.942 -7.805 -9.929 693 HG3 GLU 89 HG3 GLU 89 -3.491 -8.271 -8.317 694 H ASP 90 H ASP 90 -2.915 -3.370 -9.981 695 HA ASP 90 HA ASP 90 -3.652 -1.356 -10.718 696 HB2 ASP 90 HB2 ASP 90 -6.526 -2.003 -10.047 697 HB3 ASP 90 HB3 ASP 90 -5.908 -0.752 -11.103 698 H GLY 91 H GLY 91 -3.098 -2.297 -7.833 699 HA2 GLY 91 HA2 GLY 91 -2.588 -1.078 -5.901 700 HA3 GLY 91 HA3 GLY 91 -3.205 0.371 -6.701 701 H ILE 92 H ILE 92 -4.567 1.233 -5.140 702 HA ILE 92 HA ILE 92 -6.111 -0.302 -3.344 703 HB ILE 92 HB ILE 92 -5.320 2.046 -3.154 704 HG12 ILE 92 HG12 ILE 92 -6.960 0.911 -1.615 705 HG13 ILE 92 HG13 ILE 92 -6.782 2.650 -1.535 706 HG21 ILE 92 HG21 ILE 92 -7.733 2.805 -4.831 707 HG22 ILE 92 HG22 ILE 92 -6.725 3.920 -3.893 708 HG23 ILE 92 HG23 ILE 92 -6.023 3.022 -5.242 709 HD11 ILE 92 HD11 ILE 92 -9.118 1.220 -2.831 710 HD12 ILE 92 HD12 ILE 92 -9.100 1.995 -1.250 711 HD13 ILE 92 HD13 ILE 92 -8.912 2.980 -2.718 712 H ASP 93 H ASP 93 -6.735 0.675 -6.648 713 HA ASP 93 HA ASP 93 -9.537 0.389 -6.763 714 HB2 ASP 93 HB2 ASP 93 -8.060 1.311 -8.542 715 HB3 ASP 93 HB3 ASP 93 -7.476 -0.325 -8.883 716 H GLY 94 H GLY 94 -6.929 -2.087 -6.960 717 HA2 GLY 94 HA2 GLY 94 -8.572 -4.350 -7.465 718 HA3 GLY 94 HA3 GLY 94 -6.928 -4.344 -6.845 719 H TRP 95 H TRP 95 -7.391 -2.759 -4.488 720 HA TRP 95 HA TRP 95 -8.087 -4.748 -2.613 721 HB2 TRP 95 HB2 TRP 95 -6.737 -2.645 -2.188 722 HB3 TRP 95 HB3 TRP 95 -8.248 -1.746 -2.127 723 HD1 TRP 95 HD1 TRP 95 -9.874 -2.225 -0.021 724 HE1 TRP 95 HE1 TRP 95 -9.470 -3.173 2.277 725 HE3 TRP 95 HE3 TRP 95 -5.288 -4.237 -0.890 726 HZ2 TRP 95 HZ2 TRP 95 -7.406 -4.925 3.570 727 HZ3 TRP 95 HZ3 TRP 95 -4.091 -5.499 0.903 728 HH2 TRP 95 HH2 TRP 95 -5.155 -5.840 3.124 729 H LYS 96 H LYS 96 -9.994 -2.029 -3.864 730 HA LYS 96 HA LYS 96 -12.392 -2.799 -2.392 731 HB2 LYS 96 HB2 LYS 96 -11.914 -0.998 -4.790 732 HB3 LYS 96 HB3 LYS 96 -13.518 -1.272 -4.085 733 HG2 LYS 96 HG2 LYS 96 -12.454 -0.636 -1.798 734 HG3 LYS 96 HG3 LYS 96 -11.097 0.011 -2.747 735 HD2 LYS 96 HD2 LYS 96 -12.668 1.504 -3.951 736 HD3 LYS 96 HD3 LYS 96 -14.020 0.765 -3.065 737 HE2 LYS 96 HE2 LYS 96 -13.001 1.538 -0.907 738 HE3 LYS 96 HE3 LYS 96 -11.767 2.402 -1.868 739 HZ1 LYS 96 HZ1 LYS 96 -14.684 2.881 -1.900 740 HZ2 LYS 96 HZ2 LYS 96 -13.597 3.557 -2.952 741 HZ3 LYS 96 HZ3 LYS 96 -13.527 3.949 -1.401 742 H LYS 97 H LYS 97 -11.082 -3.627 -5.566 743 HA LYS 97 HA LYS 97 -13.355 -4.870 -6.708 744 HB2 LYS 97 HB2 LYS 97 -10.753 -4.536 -7.507 745 HB3 LYS 97 HB3 LYS 97 -10.680 -6.229 -7.073 746 HG2 LYS 97 HG2 LYS 97 -11.241 -6.296 -9.338 747 HG3 LYS 97 HG3 LYS 97 -12.790 -6.524 -8.521 748 HD2 LYS 97 HD2 LYS 97 -13.179 -4.921 -10.279 749 HD3 LYS 97 HD3 LYS 97 -13.164 -3.993 -8.782 750 HE2 LYS 97 HE2 LYS 97 -10.748 -3.444 -9.192 751 HE3 LYS 97 HE3 LYS 97 -10.809 -4.344 -10.715 752 HZ1 LYS 97 HZ1 LYS 97 -12.612 -2.095 -10.152 753 HZ2 LYS 97 HZ2 LYS 97 -12.202 -2.702 -11.631 754 HZ3 LYS 97 HZ3 LYS 97 -11.095 -1.870 -10.704 755 H ALA 98 H ALA 98 -10.845 -6.265 -4.558 756 HA ALA 98 HA ALA 98 -11.964 -8.883 -4.337 757 HB1 ALA 98 HB1 ALA 98 -10.443 -8.977 -2.342 758 HB2 ALA 98 HB2 ALA 98 -9.660 -8.346 -3.795 759 HB3 ALA 98 HB3 ALA 98 -10.191 -7.217 -2.525 760 H GLY 99 H GLY 99 -13.123 -5.947 -3.072 761 HA2 GLY 99 HA2 GLY 99 -15.019 -5.495 -1.831 762 HA3 GLY 99 HA3 GLY 99 -15.247 -7.231 -1.573 763 H LEU 100 H LEU 100 -12.092 -6.179 -0.766 764 HA LEU 100 HA LEU 100 -12.298 -6.914 1.946 765 HB2 LEU 100 HB2 LEU 100 -10.245 -5.259 0.479 766 HB3 LEU 100 HB3 LEU 100 -9.990 -5.896 2.083 767 HG LEU 100 HG LEU 100 -10.519 -7.627 -0.359 768 HD11 LEU 100 HD11 LEU 100 -8.428 -6.427 -0.608 769 HD12 LEU 100 HD12 LEU 100 -8.096 -8.127 -0.257 770 HD13 LEU 100 HD13 LEU 100 -7.916 -6.897 1.019 771 HD21 LEU 100 HD21 LEU 100 -10.052 -8.232 2.546 772 HD22 LEU 100 HD22 LEU 100 -9.430 -9.349 1.316 773 HD23 LEU 100 HD23 LEU 100 -11.159 -8.976 1.400 774 HA PRO 101 HA PRO 101 -13.763 -3.322 3.980 775 HB2 PRO 101 HB2 PRO 101 -12.286 -3.309 6.352 776 HB3 PRO 101 HB3 PRO 101 -13.713 -4.319 6.001 777 HG2 PRO 101 HG2 PRO 101 -10.811 -5.083 5.939 778 HG3 PRO 101 HG3 PRO 101 -12.228 -6.064 6.385 779 HD2 PRO 101 HD2 PRO 101 -10.939 -6.206 3.928 780 HD3 PRO 101 HD3 PRO 101 -12.647 -6.662 4.201 781 H VAL 102 H VAL 102 -13.304 -1.215 4.742 782 HA VAL 102 HA VAL 102 -10.695 0.020 4.146 783 HB VAL 102 HB VAL 102 -12.078 1.927 3.081 784 HG11 VAL 102 HG11 VAL 102 -11.855 1.109 0.869 785 HG12 VAL 102 HG12 VAL 102 -10.471 0.615 1.842 786 HG13 VAL 102 HG13 VAL 102 -11.737 -0.584 1.444 787 HG21 VAL 102 HG21 VAL 102 -14.119 1.372 1.920 788 HG22 VAL 102 HG22 VAL 102 -14.089 -0.277 2.562 789 HG23 VAL 102 HG23 VAL 102 -14.306 1.097 3.666 790 H ALA 103 H ALA 103 -10.808 2.355 4.851 791 HA ALA 103 HA ALA 103 -12.312 2.717 7.386 792 HB1 ALA 103 HB1 ALA 103 -10.304 4.121 7.987 793 HB2 ALA 103 HB2 ALA 103 -9.964 2.378 7.872 794 HB3 ALA 103 HB3 ALA 103 -9.491 3.471 6.553 795 H VAL 104 H VAL 104 -13.965 3.451 6.047 796 HA VAL 104 HA VAL 104 -13.603 6.074 4.654 797 HB VAL 104 HB VAL 104 -15.792 5.457 3.557 798 HG11 VAL 104 HG11 VAL 104 -14.065 5.132 2.086 799 HG12 VAL 104 HG12 VAL 104 -13.375 3.754 2.984 800 HG13 VAL 104 HG13 VAL 104 -14.883 3.598 2.045 801 HG21 VAL 104 HG21 VAL 104 -15.309 2.691 4.746 802 HG22 VAL 104 HG22 VAL 104 -16.615 3.812 5.175 803 HG23 VAL 104 HG23 VAL 104 -16.540 3.109 3.552 804 H ASN 105 H ASN 105 -15.805 7.319 4.812 805 HA ASN 105 HA ASN 105 -16.415 7.536 7.714 806 HB2 ASN 105 HB2 ASN 105 -17.193 9.644 7.349 807 HB3 ASN 105 HB3 ASN 105 -15.994 9.565 6.073 808 HD21 ASN 105 HD21 ASN 105 -16.907 8.925 3.799 809 HD22 ASN 105 HD22 ASN 105 -18.474 9.600 3.452 810 H LYS 106 H LYS 106 -19.022 8.086 7.991 811 HA LYS 106 HA LYS 106 -20.513 5.888 6.588 812 HB2 LYS 106 HB2 LYS 106 -20.935 6.883 9.396 813 HB3 LYS 106 HB3 LYS 106 -21.800 5.577 8.604 814 HG2 LYS 106 HG2 LYS 106 -19.746 4.208 8.610 815 HG3 LYS 106 HG3 LYS 106 -18.867 5.492 9.457 816 HD2 LYS 106 HD2 LYS 106 -21.436 4.259 10.544 817 HD3 LYS 106 HD3 LYS 106 -19.868 3.544 10.833 818 HE2 LYS 106 HE2 LYS 106 -20.741 4.872 12.729 819 HE3 LYS 106 HE3 LYS 106 -19.121 5.338 12.197 820 HZ1 LYS 106 HZ1 LYS 106 -20.805 7.147 12.726 821 HZ2 LYS 106 HZ2 LYS 106 -21.536 6.785 11.342 822 HZ3 LYS 106 HZ3 LYS 106 -19.957 7.298 11.311 823 H SER 107 H SER 107 -21.884 6.961 5.174 824 HA SER 107 HA SER 107 -22.811 9.670 5.825 825 HB2 SER 107 HB2 SER 107 -22.288 8.893 3.522 826 HB3 SER 107 HB3 SER 107 -23.629 7.735 3.602 827 HG SER 107 HG SER 107 -23.816 10.007 2.639 828 H GLN 108 H GLN 108 -25.395 9.892 5.659 829 HA GLN 108 HA GLN 108 -26.476 8.468 7.908 830 HB2 GLN 108 HB2 GLN 108 -27.805 10.165 5.746 831 HB3 GLN 108 HB3 GLN 108 -28.669 9.498 7.140 832 HG2 GLN 108 HG2 GLN 108 -26.274 11.375 7.388 833 HG3 GLN 108 HG3 GLN 108 -27.954 11.895 7.403 834 HE21 GLN 108 HE21 GLN 108 -25.410 10.267 9.289 835 HE22 GLN 108 HE22 GLN 108 -26.385 10.107 10.742 Start of MODEL 16 1 H ALA 1 H ALA 1 12.342 -9.584 -2.682 2 HA ALA 1 HA ALA 1 12.255 -7.431 -3.885 3 HB1 ALA 1 HB1 ALA 1 13.982 -8.939 -4.562 4 HB2 ALA 1 HB2 ALA 1 12.826 -9.914 -5.495 5 HB3 ALA 1 HB3 ALA 1 13.253 -8.268 -6.031 6 H LEU 2 H LEU 2 11.602 -6.393 -5.895 7 HA LEU 2 HA LEU 2 9.009 -5.812 -6.191 8 HB2 LEU 2 HB2 LEU 2 11.043 -6.087 -8.429 9 HB3 LEU 2 HB3 LEU 2 9.540 -5.187 -8.557 10 HG LEU 2 HG LEU 2 11.806 -4.527 -6.619 11 HD11 LEU 2 HD11 LEU 2 12.184 -2.586 -8.139 12 HD12 LEU 2 HD12 LEU 2 11.012 -3.292 -9.288 13 HD13 LEU 2 HD13 LEU 2 12.512 -4.138 -8.896 14 HD21 LEU 2 HD21 LEU 2 10.493 -2.343 -6.432 15 HD22 LEU 2 HD22 LEU 2 9.800 -3.742 -5.638 16 HD23 LEU 2 HD23 LEU 2 9.135 -3.196 -7.193 17 H THR 3 H THR 3 7.293 -7.280 -6.206 18 HA THR 3 HA THR 3 6.926 -8.982 -8.552 19 HB THR 3 HB THR 3 6.979 -9.966 -5.653 20 HG1 THR 3 HG1 THR 3 8.979 -10.055 -6.312 21 HG21 THR 3 HG21 THR 3 5.223 -11.248 -6.675 22 HG22 THR 3 HG22 THR 3 6.652 -12.270 -6.634 23 HG23 THR 3 HG23 THR 3 6.174 -11.495 -8.157 24 H THR 4 H THR 4 4.485 -9.861 -8.425 25 HA THR 4 HA THR 4 2.799 -7.848 -7.048 26 HB THR 4 HB THR 4 1.311 -7.808 -8.917 27 HG1 THR 4 HG1 THR 4 1.243 -9.291 -10.343 28 HG21 THR 4 HG21 THR 4 4.124 -7.566 -10.079 29 HG22 THR 4 HG22 THR 4 3.276 -6.303 -9.160 30 HG23 THR 4 HG23 THR 4 2.645 -6.843 -10.725 31 H ILE 5 H ILE 5 0.479 -8.689 -6.771 32 HA ILE 5 HA ILE 5 0.219 -11.563 -6.514 33 HB ILE 5 HB ILE 5 -0.384 -11.613 -4.256 34 HG12 ILE 5 HG12 ILE 5 -1.469 -9.554 -3.781 35 HG13 ILE 5 HG13 ILE 5 -0.173 -9.778 -2.635 36 HG21 ILE 5 HG21 ILE 5 1.666 -11.336 -3.089 37 HG22 ILE 5 HG22 ILE 5 2.008 -11.878 -4.722 38 HG23 ILE 5 HG23 ILE 5 2.285 -10.177 -4.286 39 HD11 ILE 5 HD11 ILE 5 -0.233 -7.867 -4.993 40 HD12 ILE 5 HD12 ILE 5 -0.246 -7.470 -3.263 41 HD13 ILE 5 HD13 ILE 5 1.215 -8.151 -4.004 42 H SER 6 H SER 6 -2.148 -12.000 -5.677 43 HA SER 6 HA SER 6 -3.945 -10.696 -7.487 44 HB2 SER 6 HB2 SER 6 -4.497 -12.555 -5.136 45 HB3 SER 6 HB3 SER 6 -5.616 -12.199 -6.446 46 HG SER 6 HG SER 6 -4.764 -13.854 -7.299 47 HA PRO 7 HA PRO 7 -5.620 -7.363 -5.249 48 HB2 PRO 7 HB2 PRO 7 -8.408 -7.894 -5.174 49 HB3 PRO 7 HB3 PRO 7 -7.474 -6.967 -6.378 50 HG2 PRO 7 HG2 PRO 7 -8.336 -9.850 -6.434 51 HG3 PRO 7 HG3 PRO 7 -8.241 -8.685 -7.792 52 HD2 PRO 7 HD2 PRO 7 -6.357 -10.576 -7.439 53 HD3 PRO 7 HD3 PRO 7 -5.891 -8.937 -7.953 54 H HIS 8 H HIS 8 -6.883 -10.495 -3.932 55 HA HIS 8 HA HIS 8 -7.262 -9.207 -1.296 56 HB2 HIS 8 HB2 HIS 8 -8.857 -10.838 -2.445 57 HB3 HIS 8 HB3 HIS 8 -7.710 -12.100 -2.024 58 HD1 HIS 8 HD1 HIS 8 -7.095 -11.146 0.972 59 HD2 HIS 8 HD2 HIS 8 -10.851 -11.564 -0.865 60 HE1 HIS 8 HE1 HIS 8 -8.776 -11.482 2.865 61 H ASP 9 H ASP 9 -4.899 -11.201 -2.911 62 HA ASP 9 HA ASP 9 -3.725 -12.631 -0.780 63 HB2 ASP 9 HB2 ASP 9 -2.718 -11.627 -3.398 64 HB3 ASP 9 HB3 ASP 9 -1.494 -11.932 -2.174 65 H ALA 10 H ALA 10 -3.350 -9.215 -1.609 66 HA ALA 10 HA ALA 10 -1.129 -8.560 -0.002 67 HB1 ALA 10 HB1 ALA 10 -2.222 -6.279 0.099 68 HB2 ALA 10 HB2 ALA 10 -2.051 -6.967 -1.526 69 HB3 ALA 10 HB3 ALA 10 -3.640 -6.989 -0.715 70 H GLN 11 H GLN 11 -4.638 -8.525 0.884 71 HA GLN 11 HA GLN 11 -4.408 -7.755 3.550 72 HB2 GLN 11 HB2 GLN 11 -6.419 -8.002 1.932 73 HB3 GLN 11 HB3 GLN 11 -6.512 -9.657 2.486 74 HG2 GLN 11 HG2 GLN 11 -6.316 -7.486 4.588 75 HG3 GLN 11 HG3 GLN 11 -7.767 -7.584 3.623 76 HE21 GLN 11 HE21 GLN 11 -8.845 -8.026 5.748 77 HE22 GLN 11 HE22 GLN 11 -8.808 -9.692 6.363 78 H GLU 12 H GLU 12 -4.503 -10.982 2.105 79 HA GLU 12 HA GLU 12 -4.307 -12.600 4.446 80 HB2 GLU 12 HB2 GLU 12 -4.817 -13.185 1.969 81 HB3 GLU 12 HB3 GLU 12 -3.065 -13.186 1.737 82 HG2 GLU 12 HG2 GLU 12 -2.825 -14.947 3.429 83 HG3 GLU 12 HG3 GLU 12 -4.566 -14.869 3.758 84 H LEU 13 H LEU 13 -1.736 -10.952 2.535 85 HA LEU 13 HA LEU 13 0.299 -12.294 4.142 86 HB2 LEU 13 HB2 LEU 13 0.470 -9.937 2.268 87 HB3 LEU 13 HB3 LEU 13 1.870 -10.707 3.016 88 HG LEU 13 HG LEU 13 -0.132 -12.366 1.405 89 HD11 LEU 13 HD11 LEU 13 1.378 -12.155 -0.514 90 HD12 LEU 13 HD12 LEU 13 2.311 -10.928 0.393 91 HD13 LEU 13 HD13 LEU 13 0.601 -10.627 -0.056 92 HD21 LEU 13 HD21 LEU 13 2.766 -12.854 2.141 93 HD22 LEU 13 HD22 LEU 13 1.716 -13.909 1.172 94 HD23 LEU 13 HD23 LEU 13 1.368 -13.637 2.879 95 H ILE 14 H ILE 14 -1.233 -9.068 4.211 96 HA ILE 14 HA ILE 14 0.297 -8.016 6.373 97 HB ILE 14 HB ILE 14 -2.581 -7.502 5.552 98 HG12 ILE 14 HG12 ILE 14 -0.339 -5.515 5.109 99 HG13 ILE 14 HG13 ILE 14 -0.353 -6.926 4.087 100 HG21 ILE 14 HG21 ILE 14 -2.310 -6.717 7.845 101 HG22 ILE 14 HG22 ILE 14 -0.774 -5.919 7.416 102 HG23 ILE 14 HG23 ILE 14 -2.312 -5.329 6.748 103 HD11 ILE 14 HD11 ILE 14 -2.666 -4.976 4.394 104 HD12 ILE 14 HD12 ILE 14 -1.593 -5.167 2.979 105 HD13 ILE 14 HD13 ILE 14 -2.690 -6.472 3.426 106 H ALA 15 H ALA 15 -2.642 -10.063 6.309 107 HA ALA 15 HA ALA 15 -3.050 -10.274 9.089 108 HB1 ALA 15 HB1 ALA 15 -4.281 -12.343 8.478 109 HB2 ALA 15 HB2 ALA 15 -4.713 -10.979 7.413 110 HB3 ALA 15 HB3 ALA 15 -3.637 -12.267 6.842 111 H ARG 16 H ARG 16 -1.127 -12.339 6.858 112 HA ARG 16 HA ARG 16 -0.275 -14.175 8.907 113 HB2 ARG 16 HB2 ARG 16 0.819 -13.549 6.149 114 HB3 ARG 16 HB3 ARG 16 1.364 -14.893 7.152 115 HG2 ARG 16 HG2 ARG 16 -0.731 -16.055 6.957 116 HG3 ARG 16 HG3 ARG 16 -1.577 -14.658 6.407 117 HD2 ARG 16 HD2 ARG 16 -0.564 -14.677 4.274 118 HD3 ARG 16 HD3 ARG 16 0.806 -15.628 4.821 119 HE ARG 16 HE ARG 16 -1.430 -17.300 5.071 120 HH11 ARG 16 HH11 ARG 16 0.389 -15.614 2.523 121 HH12 ARG 16 HH12 ARG 16 -0.223 -16.600 1.250 122 HH21 ARG 16 HH21 ARG 16 -1.949 -18.764 3.500 123 HH22 ARG 16 HH22 ARG 16 -1.574 -18.498 1.806 124 H GLY 17 H GLY 17 0.893 -11.045 8.017 125 HA2 GLY 17 HA2 GLY 17 2.390 -10.341 10.073 126 HA3 GLY 17 HA3 GLY 17 3.497 -11.527 9.417 127 H ALA 18 H ALA 18 1.670 -9.476 7.118 128 HA ALA 18 HA ALA 18 4.266 -8.155 6.506 129 HB1 ALA 18 HB1 ALA 18 1.803 -8.304 4.729 130 HB2 ALA 18 HB2 ALA 18 3.425 -7.777 4.285 131 HB3 ALA 18 HB3 ALA 18 3.143 -9.473 4.698 132 H LYS 19 H LYS 19 3.622 -5.899 5.292 133 HA LYS 19 HA LYS 19 1.850 -4.279 7.057 134 HB2 LYS 19 HB2 LYS 19 4.775 -4.016 6.669 135 HB3 LYS 19 HB3 LYS 19 3.937 -2.551 6.247 136 HG2 LYS 19 HG2 LYS 19 3.921 -4.017 8.925 137 HG3 LYS 19 HG3 LYS 19 4.714 -2.491 8.544 138 HD2 LYS 19 HD2 LYS 19 2.341 -1.565 8.097 139 HD3 LYS 19 HD3 LYS 19 1.738 -3.027 8.893 140 HE2 LYS 19 HE2 LYS 19 3.622 -0.949 10.104 141 HE3 LYS 19 HE3 LYS 19 1.898 -1.132 10.442 142 HZ1 LYS 19 HZ1 LYS 19 3.259 -2.115 12.145 143 HZ2 LYS 19 HZ2 LYS 19 3.981 -3.133 11.102 144 HZ3 LYS 19 HZ3 LYS 19 2.358 -3.283 11.415 145 H LEU 20 H LEU 20 1.275 -2.110 5.974 146 HA LEU 20 HA LEU 20 1.271 -2.371 3.012 147 HB2 LEU 20 HB2 LEU 20 -0.794 -3.220 4.003 148 HB3 LEU 20 HB3 LEU 20 -1.013 -1.738 4.910 149 HG LEU 20 HG LEU 20 -1.298 -0.452 2.857 150 HD11 LEU 20 HD11 LEU 20 -1.517 -1.554 0.692 151 HD12 LEU 20 HD12 LEU 20 -0.887 -3.074 1.365 152 HD13 LEU 20 HD13 LEU 20 0.139 -1.616 1.257 153 HD21 LEU 20 HD21 LEU 20 -3.425 -1.287 2.297 154 HD22 LEU 20 HD22 LEU 20 -3.190 -1.793 3.970 155 HD23 LEU 20 HD23 LEU 20 -3.001 -2.974 2.656 156 H ILE 21 H ILE 21 2.128 -0.627 2.071 157 HA ILE 21 HA ILE 21 1.939 2.022 3.418 158 HB ILE 21 HB ILE 21 4.198 0.712 1.839 159 HG12 ILE 21 HG12 ILE 21 5.630 1.345 3.684 160 HG13 ILE 21 HG13 ILE 21 4.313 2.208 4.473 161 HG21 ILE 21 HG21 ILE 21 3.728 3.640 2.468 162 HG22 ILE 21 HG22 ILE 21 5.350 3.006 2.091 163 HG23 ILE 21 HG23 ILE 21 4.055 2.926 0.897 164 HD11 ILE 21 HD11 ILE 21 5.000 -0.080 5.410 165 HD12 ILE 21 HD12 ILE 21 3.276 0.242 5.181 166 HD13 ILE 21 HD13 ILE 21 4.165 -0.779 4.016 167 H ASP 22 H ASP 22 0.627 3.328 2.464 168 HA ASP 22 HA ASP 22 -0.052 3.025 -0.369 169 HB2 ASP 22 HB2 ASP 22 -1.244 5.211 1.291 170 HB3 ASP 22 HB3 ASP 22 -1.948 4.165 0.068 171 H ILE 23 H ILE 23 1.451 3.985 -1.663 172 HA ILE 23 HA ILE 23 3.038 6.260 -0.681 173 HB ILE 23 HB ILE 23 4.334 6.025 -2.728 174 HG12 ILE 23 HG12 ILE 23 2.390 3.774 -3.438 175 HG13 ILE 23 HG13 ILE 23 2.579 5.312 -4.289 176 HG21 ILE 23 HG21 ILE 23 3.919 3.328 -1.385 177 HG22 ILE 23 HG22 ILE 23 5.414 3.954 -2.117 178 HG23 ILE 23 HG23 ILE 23 4.784 4.697 -0.646 179 HD11 ILE 23 HD11 ILE 23 5.008 4.639 -4.701 180 HD12 ILE 23 HD12 ILE 23 4.541 3.005 -4.116 181 HD13 ILE 23 HD13 ILE 23 3.762 3.710 -5.550 182 H ARG 24 H ARG 24 0.044 6.173 -1.791 183 HA ARG 24 HA ARG 24 -0.004 8.239 -3.861 184 HB2 ARG 24 HB2 ARG 24 -2.129 7.272 -1.932 185 HB3 ARG 24 HB3 ARG 24 -2.434 8.304 -3.337 186 HG2 ARG 24 HG2 ARG 24 -1.551 6.247 -4.700 187 HG3 ARG 24 HG3 ARG 24 -1.829 5.373 -3.186 188 HD2 ARG 24 HD2 ARG 24 -3.834 6.719 -5.017 189 HD3 ARG 24 HD3 ARG 24 -3.871 5.074 -4.363 190 HE ARG 24 HE ARG 24 -4.038 7.055 -2.275 191 HH11 ARG 24 HH11 ARG 24 -6.324 5.558 -4.716 192 HH12 ARG 24 HH12 ARG 24 -7.632 6.015 -3.689 193 HH21 ARG 24 HH21 ARG 24 -5.793 7.704 -1.267 194 HH22 ARG 24 HH22 ARG 24 -7.379 7.553 -1.977 195 H ASP 25 H ASP 25 -1.417 10.207 -3.367 196 HA ASP 25 HA ASP 25 -0.092 11.902 -1.475 197 HB2 ASP 25 HB2 ASP 25 -2.724 12.243 -2.975 198 HB3 ASP 25 HB3 ASP 25 -2.006 13.495 -1.964 199 H ALA 26 H ALA 26 -0.675 12.560 0.582 200 HA ALA 26 HA ALA 26 -2.124 10.824 2.247 201 HB1 ALA 26 HB1 ALA 26 -0.381 12.336 3.088 202 HB2 ALA 26 HB2 ALA 26 -1.380 13.750 2.667 203 HB3 ALA 26 HB3 ALA 26 -1.912 12.635 3.936 204 H ASP 27 H ASP 27 -3.148 13.906 0.757 205 HA ASP 27 HA ASP 27 -5.608 14.248 2.029 206 HB2 ASP 27 HB2 ASP 27 -4.565 15.926 0.547 207 HB3 ASP 27 HB3 ASP 27 -4.837 14.873 -0.852 208 H GLU 28 H GLU 28 -4.850 11.958 -0.538 209 HA GLU 28 HA GLU 28 -7.703 11.439 -1.044 210 HB2 GLU 28 HB2 GLU 28 -5.152 10.267 -2.165 211 HB3 GLU 28 HB3 GLU 28 -6.790 9.749 -2.593 212 HG2 GLU 28 HG2 GLU 28 -7.043 12.471 -2.919 213 HG3 GLU 28 HG3 GLU 28 -5.357 12.229 -3.397 214 H TYR 29 H TYR 29 -5.179 10.181 1.005 215 HA TYR 29 HA TYR 29 -6.356 7.553 1.434 216 HB2 TYR 29 HB2 TYR 29 -4.000 7.861 1.946 217 HB3 TYR 29 HB3 TYR 29 -4.332 9.206 2.999 218 HD1 TYR 29 HD1 TYR 29 -5.496 8.819 5.239 219 HD2 TYR 29 HD2 TYR 29 -3.903 5.629 2.798 220 HE1 TYR 29 HE1 TYR 29 -5.350 7.376 7.218 221 HE2 TYR 29 HE2 TYR 29 -3.779 4.182 4.751 222 HH TYR 29 HH TYR 29 -3.878 4.101 7.135 223 H LEU 30 H LEU 30 -6.741 10.749 2.773 224 HA LEU 30 HA LEU 30 -8.322 10.173 5.096 225 HB2 LEU 30 HB2 LEU 30 -8.120 12.605 3.259 226 HB3 LEU 30 HB3 LEU 30 -8.974 12.594 4.777 227 HG LEU 30 HG LEU 30 -5.981 12.068 4.397 228 HD11 LEU 30 HD11 LEU 30 -7.209 14.459 5.761 229 HD12 LEU 30 HD12 LEU 30 -6.833 14.445 4.020 230 HD13 LEU 30 HD13 LEU 30 -5.540 14.226 5.220 231 HD21 LEU 30 HD21 LEU 30 -5.847 12.357 6.880 232 HD22 LEU 30 HD22 LEU 30 -6.680 10.877 6.387 233 HD23 LEU 30 HD23 LEU 30 -7.615 12.281 6.941 234 H ARG 31 H ARG 31 -9.081 10.491 1.783 235 HA ARG 31 HA ARG 31 -11.934 10.972 1.897 236 HB2 ARG 31 HB2 ARG 31 -10.350 9.639 -0.333 237 HB3 ARG 31 HB3 ARG 31 -12.021 10.200 -0.404 238 HG2 ARG 31 HG2 ARG 31 -11.212 12.518 0.155 239 HG3 ARG 31 HG3 ARG 31 -9.548 11.920 0.044 240 HD2 ARG 31 HD2 ARG 31 -9.915 11.212 -2.268 241 HD3 ARG 31 HD3 ARG 31 -11.626 11.660 -2.125 242 HE ARG 31 HE ARG 31 -9.432 13.685 -1.855 243 HH11 ARG 31 HH11 ARG 31 -12.433 12.642 -3.516 244 HH12 ARG 31 HH12 ARG 31 -12.601 14.129 -4.368 245 HH21 ARG 31 HH21 ARG 31 -9.808 15.727 -2.935 246 HH22 ARG 31 HH22 ARG 31 -11.110 15.832 -4.059 247 H GLU 32 H GLU 32 -10.204 7.978 0.928 248 HA GLU 32 HA GLU 32 -11.643 6.320 2.753 249 HB2 GLU 32 HB2 GLU 32 -12.844 4.942 1.139 250 HB3 GLU 32 HB3 GLU 32 -13.464 6.586 1.231 251 HG2 GLU 32 HG2 GLU 32 -12.136 7.037 -0.941 252 HG3 GLU 32 HG3 GLU 32 -12.008 5.269 -1.061 253 H HIS 33 H HIS 33 -10.116 4.875 3.309 254 HA HIS 33 HA HIS 33 -8.579 3.599 1.207 255 HB2 HIS 33 HB2 HIS 33 -7.401 5.826 2.328 256 HB3 HIS 33 HB3 HIS 33 -6.671 4.516 3.264 257 HD1 HIS 33 HD1 HIS 33 -7.604 5.194 -0.421 258 HD2 HIS 33 HD2 HIS 33 -4.564 3.472 1.949 259 HE1 HIS 33 HE1 HIS 33 -5.806 4.284 -2.028 260 H ILE 34 H ILE 34 -6.722 2.212 2.566 261 HA ILE 34 HA ILE 34 -8.439 0.199 3.707 262 HB ILE 34 HB ILE 34 -5.422 0.321 3.267 263 HG12 ILE 34 HG12 ILE 34 -7.655 -0.957 1.611 264 HG13 ILE 34 HG13 ILE 34 -6.886 0.557 1.190 265 HG21 ILE 34 HG21 ILE 34 -6.151 -1.407 4.985 266 HG22 ILE 34 HG22 ILE 34 -7.244 -2.076 3.786 267 HG23 ILE 34 HG23 ILE 34 -5.506 -2.151 3.529 268 HD11 ILE 34 HD11 ILE 34 -6.044 -1.316 -0.113 269 HD12 ILE 34 HD12 ILE 34 -4.790 -0.424 0.771 270 HD13 ILE 34 HD13 ILE 34 -5.350 -2.022 1.341 271 HA PRO 35 HA PRO 35 -7.747 1.547 7.906 272 HB2 PRO 35 HB2 PRO 35 -8.526 -0.660 9.308 273 HB3 PRO 35 HB3 PRO 35 -9.675 0.407 8.442 274 HG2 PRO 35 HG2 PRO 35 -8.499 -2.199 7.493 275 HG3 PRO 35 HG3 PRO 35 -10.222 -1.680 7.430 276 HD2 PRO 35 HD2 PRO 35 -8.510 -1.508 5.325 277 HD3 PRO 35 HD3 PRO 35 -9.751 -0.292 5.592 278 H GLU 36 H GLU 36 -6.395 -1.840 7.034 279 HA GLU 36 HA GLU 36 -4.521 -1.870 9.106 280 HB2 GLU 36 HB2 GLU 36 -4.455 -3.091 6.308 281 HB3 GLU 36 HB3 GLU 36 -3.442 -3.533 7.677 282 HG2 GLU 36 HG2 GLU 36 -4.990 -5.102 7.790 283 HG3 GLU 36 HG3 GLU 36 -5.646 -3.994 8.978 284 H ALA 37 H ALA 37 -4.370 0.090 6.147 285 HA ALA 37 HA ALA 37 -1.480 0.037 6.090 286 HB1 ALA 37 HB1 ALA 37 -2.982 0.507 4.089 287 HB2 ALA 37 HB2 ALA 37 -3.165 2.131 4.747 288 HB3 ALA 37 HB3 ALA 37 -1.537 1.505 4.328 289 H ASP 38 H ASP 38 -0.114 1.810 6.269 290 HA ASP 38 HA ASP 38 -0.678 3.451 8.716 291 HB2 ASP 38 HB2 ASP 38 1.295 1.760 8.060 292 HB3 ASP 38 HB3 ASP 38 2.004 3.214 7.411 293 H LEU 39 H LEU 39 -0.100 3.746 5.403 294 HA LEU 39 HA LEU 39 -0.050 5.362 3.812 295 HB2 LEU 39 HB2 LEU 39 -1.899 6.439 4.760 296 HB3 LEU 39 HB3 LEU 39 -0.982 7.023 6.119 297 HG LEU 39 HG LEU 39 0.285 8.563 4.525 298 HD11 LEU 39 HD11 LEU 39 -1.896 7.659 2.602 299 HD12 LEU 39 HD12 LEU 39 -0.177 7.392 2.389 300 HD13 LEU 39 HD13 LEU 39 -0.803 9.033 2.329 301 HD21 LEU 39 HD21 LEU 39 -1.540 9.321 5.974 302 HD22 LEU 39 HD22 LEU 39 -2.701 8.979 4.686 303 HD23 LEU 39 HD23 LEU 39 -1.458 10.222 4.454 304 H ALA 40 H ALA 40 1.555 6.424 2.772 305 HA ALA 40 HA ALA 40 3.480 8.070 4.157 306 HB1 ALA 40 HB1 ALA 40 4.564 5.389 3.266 307 HB2 ALA 40 HB2 ALA 40 5.480 6.775 3.873 308 HB3 ALA 40 HB3 ALA 40 4.363 5.902 4.949 309 HA PRO 41 HA PRO 41 2.886 8.817 -0.363 310 HB2 PRO 41 HB2 PRO 41 3.454 11.594 -0.119 311 HB3 PRO 41 HB3 PRO 41 1.852 10.849 -0.218 312 HG2 PRO 41 HG2 PRO 41 3.331 11.808 2.173 313 HG3 PRO 41 HG3 PRO 41 1.572 11.726 1.910 314 HD2 PRO 41 HD2 PRO 41 2.994 9.987 3.500 315 HD3 PRO 41 HD3 PRO 41 1.491 9.512 2.664 316 H LEU 42 H LEU 42 4.450 9.216 -1.968 317 HA LEU 42 HA LEU 42 7.092 8.589 -1.369 318 HB2 LEU 42 HB2 LEU 42 5.760 8.803 -3.690 319 HB3 LEU 42 HB3 LEU 42 6.607 10.301 -3.768 320 HG LEU 42 HG LEU 42 8.267 9.252 -4.747 321 HD11 LEU 42 HD11 LEU 42 9.464 9.293 -2.593 322 HD12 LEU 42 HD12 LEU 42 9.916 7.916 -3.570 323 HD13 LEU 42 HD13 LEU 42 8.828 7.667 -2.203 324 HD21 LEU 42 HD21 LEU 42 6.964 6.720 -3.740 325 HD22 LEU 42 HD22 LEU 42 8.297 6.760 -4.940 326 HD23 LEU 42 HD23 LEU 42 6.723 7.502 -5.316 327 H SER 43 H SER 43 5.554 11.817 -1.607 328 HA SER 43 HA SER 43 7.762 13.475 -1.545 329 HB2 SER 43 HB2 SER 43 5.150 14.026 -0.115 330 HB3 SER 43 HB3 SER 43 6.197 15.162 -0.980 331 HG SER 43 HG SER 43 4.395 14.654 -2.179 332 H VAL 44 H VAL 44 6.636 11.422 1.072 333 HA VAL 44 HA VAL 44 8.139 13.024 3.085 334 HB VAL 44 HB VAL 44 6.108 10.775 3.423 335 HG11 VAL 44 HG11 VAL 44 6.270 11.358 5.865 336 HG12 VAL 44 HG12 VAL 44 7.747 10.618 5.235 337 HG13 VAL 44 HG13 VAL 44 7.679 12.380 5.496 338 HG21 VAL 44 HG21 VAL 44 4.721 12.546 4.436 339 HG22 VAL 44 HG22 VAL 44 6.010 13.741 4.156 340 HG23 VAL 44 HG23 VAL 44 5.159 13.008 2.788 341 H LEU 45 H LEU 45 7.990 9.912 1.321 342 HA LEU 45 HA LEU 45 10.042 8.585 2.775 343 HB2 LEU 45 HB2 LEU 45 8.831 8.383 0.013 344 HB3 LEU 45 HB3 LEU 45 10.229 7.405 0.405 345 HG LEU 45 HG LEU 45 7.785 7.437 2.237 346 HD11 LEU 45 HD11 LEU 45 6.953 6.868 0.081 347 HD12 LEU 45 HD12 LEU 45 7.056 5.397 1.066 348 HD13 LEU 45 HD13 LEU 45 8.299 5.713 -0.193 349 HD21 LEU 45 HD21 LEU 45 8.682 5.180 2.827 350 HD22 LEU 45 HD22 LEU 45 9.851 6.467 3.100 351 HD23 LEU 45 HD23 LEU 45 10.029 5.439 1.679 352 H GLU 46 H GLU 46 10.150 10.462 -0.287 353 HA GLU 46 HA GLU 46 12.882 10.402 -0.760 354 HB2 GLU 46 HB2 GLU 46 10.544 12.154 -1.446 355 HB3 GLU 46 HB3 GLU 46 12.118 12.848 -1.747 356 HG2 GLU 46 HG2 GLU 46 11.661 9.997 -2.633 357 HG3 GLU 46 HG3 GLU 46 10.865 11.255 -3.533 358 H GLN 47 H GLN 47 11.214 12.197 1.742 359 HA GLN 47 HA GLN 47 13.537 14.021 2.174 360 HB2 GLN 47 HB2 GLN 47 10.678 14.093 3.238 361 HB3 GLN 47 HB3 GLN 47 11.972 15.211 3.666 362 HG2 GLN 47 HG2 GLN 47 12.177 15.781 1.214 363 HG3 GLN 47 HG3 GLN 47 10.700 14.872 0.929 364 HE21 GLN 47 HE21 GLN 47 8.718 15.855 1.534 365 HE22 GLN 47 HE22 GLN 47 8.619 17.485 2.209 366 H SER 48 H SER 48 11.257 12.176 4.125 367 HA SER 48 HA SER 48 13.069 12.045 6.426 368 HB2 SER 48 HB2 SER 48 10.632 12.769 6.499 369 HB3 SER 48 HB3 SER 48 10.202 11.090 6.139 370 HG SER 48 HG SER 48 11.350 12.254 8.423 371 H GLY 49 H GLY 49 11.138 9.735 4.342 372 HA2 GLY 49 HA2 GLY 49 12.093 7.712 3.516 373 HA3 GLY 49 HA3 GLY 49 13.222 7.684 4.877 374 H LEU 50 H LEU 50 11.880 5.424 4.320 375 HA LEU 50 HA LEU 50 9.390 5.071 5.547 376 HB2 LEU 50 HB2 LEU 50 10.572 3.649 3.853 377 HB3 LEU 50 HB3 LEU 50 11.573 2.978 5.140 378 HG LEU 50 HG LEU 50 8.532 2.934 5.304 379 HD11 LEU 50 HD11 LEU 50 8.355 0.853 4.246 380 HD12 LEU 50 HD12 LEU 50 10.109 0.730 4.010 381 HD13 LEU 50 HD13 LEU 50 9.158 1.945 3.104 382 HD21 LEU 50 HD21 LEU 50 10.738 1.197 6.446 383 HD22 LEU 50 HD22 LEU 50 9.008 0.800 6.514 384 HD23 LEU 50 HD23 LEU 50 9.596 2.269 7.292 385 HA PRO 51 HA PRO 51 10.822 5.446 9.811 386 HB2 PRO 51 HB2 PRO 51 8.514 4.822 11.141 387 HB3 PRO 51 HB3 PRO 51 8.716 6.349 10.216 388 HG2 PRO 51 HG2 PRO 51 7.348 3.783 9.400 389 HG3 PRO 51 HG3 PRO 51 6.775 5.461 9.169 390 HD2 PRO 51 HD2 PRO 51 8.051 4.015 7.169 391 HD3 PRO 51 HD3 PRO 51 8.162 5.775 7.309 392 H ALA 52 H ALA 52 11.373 4.183 11.608 393 HA ALA 52 HA ALA 52 11.995 1.519 11.231 394 HB1 ALA 52 HB1 ALA 52 12.983 2.994 12.949 395 HB2 ALA 52 HB2 ALA 52 11.480 2.852 13.900 396 HB3 ALA 52 HB3 ALA 52 12.492 1.424 13.619 397 H LYS 53 H LYS 53 8.841 2.683 11.995 398 HA LYS 53 HA LYS 53 7.921 0.218 13.330 399 HB2 LYS 53 HB2 LYS 53 6.258 2.468 12.177 400 HB3 LYS 53 HB3 LYS 53 5.775 1.276 13.370 401 HG2 LYS 53 HG2 LYS 53 7.661 3.622 13.731 402 HG3 LYS 53 HG3 LYS 53 6.022 3.437 14.376 403 HD2 LYS 53 HD2 LYS 53 6.823 1.490 15.739 404 HD3 LYS 53 HD3 LYS 53 8.478 1.854 15.202 405 HE2 LYS 53 HE2 LYS 53 6.633 3.800 16.646 406 HE3 LYS 53 HE3 LYS 53 7.877 2.833 17.447 407 HZ1 LYS 53 HZ1 LYS 53 9.561 4.009 16.190 408 HZ2 LYS 53 HZ2 LYS 53 8.561 5.109 16.908 409 HZ3 LYS 53 HZ3 LYS 53 8.422 4.816 15.319 410 H LEU 54 H LEU 54 7.930 1.611 10.038 411 HA LEU 54 HA LEU 54 5.931 -0.384 9.140 412 HB2 LEU 54 HB2 LEU 54 7.253 2.034 7.897 413 HB3 LEU 54 HB3 LEU 54 6.414 0.889 6.876 414 HG LEU 54 HG LEU 54 5.130 2.194 9.276 415 HD11 LEU 54 HD11 LEU 54 4.716 3.031 6.385 416 HD12 LEU 54 HD12 LEU 54 5.792 3.866 7.488 417 HD13 LEU 54 HD13 LEU 54 4.082 3.803 7.848 418 HD21 LEU 54 HD21 LEU 54 4.317 -0.040 7.737 419 HD22 LEU 54 HD22 LEU 54 3.350 1.298 7.125 420 HD23 LEU 54 HD23 LEU 54 3.328 0.913 8.848 421 H ARG 55 H ARG 55 9.272 -0.300 9.349 422 HA ARG 55 HA ARG 55 10.015 -1.682 6.932 423 HB2 ARG 55 HB2 ARG 55 12.215 -1.807 7.945 424 HB3 ARG 55 HB3 ARG 55 11.560 -0.197 8.177 425 HG2 ARG 55 HG2 ARG 55 11.481 -0.302 10.348 426 HG3 ARG 55 HG3 ARG 55 10.830 -1.932 10.440 427 HD2 ARG 55 HD2 ARG 55 13.724 -1.249 9.857 428 HD3 ARG 55 HD3 ARG 55 13.001 -1.682 11.428 429 HE ARG 55 HE ARG 55 12.509 -3.573 9.271 430 HH11 ARG 55 HH11 ARG 55 14.590 -2.863 12.076 431 HH12 ARG 55 HH12 ARG 55 15.097 -4.511 12.248 432 HH21 ARG 55 HH21 ARG 55 13.228 -5.700 9.472 433 HH22 ARG 55 HH22 ARG 55 14.034 -6.206 10.917 434 H HIS 56 H HIS 56 8.003 -2.991 8.350 435 HA HIS 56 HA HIS 56 8.685 -5.324 9.803 436 HB2 HIS 56 HB2 HIS 56 6.325 -4.350 9.053 437 HB3 HIS 56 HB3 HIS 56 6.483 -5.492 7.739 438 HD1 HIS 56 HD1 HIS 56 7.882 -7.251 10.757 439 HD2 HIS 56 HD2 HIS 56 4.061 -6.126 9.355 440 HE1 HIS 56 HE1 HIS 56 6.263 -8.743 11.874 441 H GLU 57 H GLU 57 8.745 -7.589 9.078 442 HA GLU 57 HA GLU 57 10.802 -8.268 7.448 443 HB2 GLU 57 HB2 GLU 57 8.308 -9.800 8.253 444 HB3 GLU 57 HB3 GLU 57 9.698 -10.573 7.469 445 HG2 GLU 57 HG2 GLU 57 11.159 -10.092 9.292 446 HG3 GLU 57 HG3 GLU 57 10.069 -8.890 9.981 447 H GLN 58 H GLN 58 7.396 -7.888 6.406 448 HA GLN 58 HA GLN 58 8.251 -7.747 3.617 449 HB2 GLN 58 HB2 GLN 58 5.848 -9.436 4.419 450 HB3 GLN 58 HB3 GLN 58 6.579 -9.230 2.818 451 HG2 GLN 58 HG2 GLN 58 8.665 -10.347 3.780 452 HG3 GLN 58 HG3 GLN 58 7.688 -10.750 5.184 453 HE21 GLN 58 HE21 GLN 58 8.885 -12.042 2.440 454 HE22 GLN 58 HE22 GLN 58 7.609 -13.144 1.979 455 H ILE 59 H ILE 59 6.981 -6.228 2.457 456 HA ILE 59 HA ILE 59 4.607 -5.197 3.797 457 HB ILE 59 HB ILE 59 5.299 -3.035 3.900 458 HG12 ILE 59 HG12 ILE 59 7.619 -3.606 2.044 459 HG13 ILE 59 HG13 ILE 59 6.115 -2.808 1.572 460 HG21 ILE 59 HG21 ILE 59 7.351 -2.814 5.139 461 HG22 ILE 59 HG22 ILE 59 6.643 -4.355 5.568 462 HG23 ILE 59 HG23 ILE 59 8.009 -4.304 4.449 463 HD11 ILE 59 HD11 ILE 59 8.190 -1.658 3.414 464 HD12 ILE 59 HD12 ILE 59 7.733 -1.125 1.789 465 HD13 ILE 59 HD13 ILE 59 6.562 -0.959 3.113 466 H ILE 60 H ILE 60 3.459 -3.721 2.207 467 HA ILE 60 HA ILE 60 3.989 -4.467 -0.640 468 HB ILE 60 HB ILE 60 1.230 -4.487 0.630 469 HG12 ILE 60 HG12 ILE 60 1.885 -7.088 -0.421 470 HG13 ILE 60 HG13 ILE 60 3.198 -6.663 0.609 471 HG21 ILE 60 HG21 ILE 60 2.185 -5.340 -2.137 472 HG22 ILE 60 HG22 ILE 60 0.558 -5.567 -1.518 473 HG23 ILE 60 HG23 ILE 60 1.194 -3.928 -1.765 474 HD11 ILE 60 HD11 ILE 60 1.630 -6.238 2.479 475 HD12 ILE 60 HD12 ILE 60 0.261 -6.625 1.407 476 HD13 ILE 60 HD13 ILE 60 1.454 -7.872 1.820 477 H PHE 61 H PHE 61 3.505 -2.838 -2.124 478 HA PHE 61 HA PHE 61 2.941 -0.149 -0.979 479 HB2 PHE 61 HB2 PHE 61 4.340 -0.902 -3.577 480 HB3 PHE 61 HB3 PHE 61 3.864 0.706 -3.109 481 HD1 PHE 61 HD1 PHE 61 4.618 1.216 -0.464 482 HD2 PHE 61 HD2 PHE 61 6.705 -1.197 -3.370 483 HE1 PHE 61 HE1 PHE 61 6.768 1.715 0.664 484 HE2 PHE 61 HE2 PHE 61 8.867 -0.637 -2.239 485 HZ PHE 61 HZ PHE 61 8.885 0.838 -0.271 486 H HIS 62 H HIS 62 1.133 0.955 -1.737 487 HA HIS 62 HA HIS 62 -0.444 -0.332 -3.927 488 HB2 HIS 62 HB2 HIS 62 -1.409 0.579 -1.202 489 HB3 HIS 62 HB3 HIS 62 -2.482 0.552 -2.590 490 HD1 HIS 62 HD1 HIS 62 -0.041 -2.364 -2.203 491 HD2 HIS 62 HD2 HIS 62 -4.021 -1.303 -1.284 492 HE1 HIS 62 HE1 HIS 62 -1.235 -4.471 -1.317 493 H CYS 63 H CYS 63 -1.587 1.020 -5.238 494 HA CYS 63 HA CYS 63 -1.671 3.853 -4.859 495 HB2 CYS 63 HB2 CYS 63 -0.491 4.529 -6.803 496 HB3 CYS 63 HB3 CYS 63 0.611 3.506 -5.895 497 HG CYS 63 HG CYS 63 0.489 1.414 -7.342 498 H GLN 64 H GLN 64 -2.664 4.657 -7.165 499 HA GLN 64 HA GLN 64 -5.258 3.927 -7.312 500 HB2 GLN 64 HB2 GLN 64 -5.186 4.857 -9.691 501 HB3 GLN 64 HB3 GLN 64 -4.715 5.901 -8.369 502 HG2 GLN 64 HG2 GLN 64 -2.507 6.015 -8.972 503 HG3 GLN 64 HG3 GLN 64 -2.449 4.414 -9.679 504 HE21 GLN 64 HE21 GLN 64 -4.398 4.424 -11.667 505 HE22 GLN 64 HE22 GLN 64 -3.963 5.551 -12.874 506 H ALA 65 H ALA 65 -3.323 2.956 -10.158 507 HA ALA 65 HA ALA 65 -4.697 0.313 -10.230 508 HB1 ALA 65 HB1 ALA 65 -5.891 1.902 -11.637 509 HB2 ALA 65 HB2 ALA 65 -4.397 2.295 -12.521 510 HB3 ALA 65 HB3 ALA 65 -5.095 0.665 -12.610 511 H GLY 66 H GLY 66 -1.986 0.751 -9.270 512 HA2 GLY 66 HA2 GLY 66 0.076 -0.193 -9.538 513 HA3 GLY 66 HA3 GLY 66 -0.460 -0.904 -11.054 514 H LYS 67 H LYS 67 -1.115 1.737 -12.207 515 HA LYS 67 HA LYS 67 1.246 2.327 -13.495 516 HB2 LYS 67 HB2 LYS 67 -1.381 2.864 -13.905 517 HB3 LYS 67 HB3 LYS 67 -0.847 4.489 -13.483 518 HG2 LYS 67 HG2 LYS 67 0.797 4.445 -15.309 519 HG3 LYS 67 HG3 LYS 67 0.580 2.722 -15.513 520 HD2 LYS 67 HD2 LYS 67 -0.543 3.623 -17.331 521 HD3 LYS 67 HD3 LYS 67 -1.804 3.103 -16.236 522 HE2 LYS 67 HE2 LYS 67 -2.267 5.273 -17.338 523 HE3 LYS 67 HE3 LYS 67 -2.273 5.404 -15.577 524 HZ1 LYS 67 HZ1 LYS 67 -0.995 7.130 -16.990 525 HZ2 LYS 67 HZ2 LYS 67 0.196 5.995 -17.053 526 HZ3 LYS 67 HZ3 LYS 67 -0.329 6.569 -15.595 527 H ARG 68 H ARG 68 1.124 3.093 -10.367 528 HA ARG 68 HA ARG 68 2.930 5.458 -10.667 529 HB2 ARG 68 HB2 ARG 68 0.733 5.133 -8.605 530 HB3 ARG 68 HB3 ARG 68 1.956 6.387 -8.558 531 HG2 ARG 68 HG2 ARG 68 0.107 6.101 -10.961 532 HG3 ARG 68 HG3 ARG 68 -0.413 6.918 -9.503 533 HD2 ARG 68 HD2 ARG 68 2.157 7.729 -10.892 534 HD3 ARG 68 HD3 ARG 68 0.592 8.343 -11.419 535 HE ARG 68 HE ARG 68 2.032 9.024 -8.962 536 HH11 ARG 68 HH11 ARG 68 -1.195 9.043 -10.476 537 HH12 ARG 68 HH12 ARG 68 -1.803 10.290 -9.450 538 HH21 ARG 68 HH21 ARG 68 1.229 10.583 -7.625 539 HH22 ARG 68 HH22 ARG 68 -0.378 11.239 -7.784 540 H THR 69 H THR 69 2.689 2.193 -9.493 541 HA THR 69 HA THR 69 4.576 2.631 -7.272 542 HB THR 69 HB THR 69 4.199 -0.015 -7.454 543 HG1 THR 69 HG1 THR 69 2.084 -0.417 -8.121 544 HG21 THR 69 HG21 THR 69 2.174 1.915 -6.239 545 HG22 THR 69 HG22 THR 69 3.620 1.270 -5.450 546 HG23 THR 69 HG23 THR 69 2.295 0.183 -5.850 547 H SER 70 H SER 70 4.390 0.371 -10.091 548 HA SER 70 HA SER 70 6.960 -0.466 -10.234 549 HB2 SER 70 HB2 SER 70 5.203 0.109 -12.630 550 HB3 SER 70 HB3 SER 70 6.378 -1.206 -12.424 551 HG SER 70 HG SER 70 4.118 -1.753 -12.098 552 H ASN 71 H ASN 71 5.887 2.591 -10.858 553 HA ASN 71 HA ASN 71 7.736 3.592 -12.866 554 HB2 ASN 71 HB2 ASN 71 5.529 4.577 -12.406 555 HB3 ASN 71 HB3 ASN 71 6.051 5.037 -10.776 556 HD21 ASN 71 HD21 ASN 71 7.251 5.398 -14.182 557 HD22 ASN 71 HD22 ASN 71 7.757 7.070 -13.980 558 H ASN 72 H ASN 72 7.848 3.553 -9.282 559 HA ASN 72 HA ASN 72 10.622 4.669 -9.434 560 HB2 ASN 72 HB2 ASN 72 8.672 5.200 -7.166 561 HB3 ASN 72 HB3 ASN 72 10.372 5.649 -7.176 562 HD21 ASN 72 HD21 ASN 72 7.540 7.150 -7.336 563 HD22 ASN 72 HD22 ASN 72 7.991 8.450 -8.399 564 H ALA 73 H ALA 73 9.314 1.874 -9.361 565 HA ALA 73 HA ALA 73 9.640 0.518 -7.005 566 HB1 ALA 73 HB1 ALA 73 9.971 -1.429 -8.505 567 HB2 ALA 73 HB2 ALA 73 8.635 -0.394 -8.996 568 HB3 ALA 73 HB3 ALA 73 10.197 -0.325 -9.861 569 H ASP 74 H ASP 74 12.252 1.711 -9.123 570 HA ASP 74 HA ASP 74 14.388 0.087 -8.280 571 HB2 ASP 74 HB2 ASP 74 13.904 2.701 -9.656 572 HB3 ASP 74 HB3 ASP 74 15.443 2.577 -8.849 573 H LYS 75 H LYS 75 13.692 3.449 -7.344 574 HA LYS 75 HA LYS 75 15.286 3.524 -4.987 575 HB2 LYS 75 HB2 LYS 75 13.974 5.494 -4.357 576 HB3 LYS 75 HB3 LYS 75 14.989 5.575 -5.799 577 HG2 LYS 75 HG2 LYS 75 12.035 5.069 -5.813 578 HG3 LYS 75 HG3 LYS 75 12.834 6.609 -5.717 579 HD2 LYS 75 HD2 LYS 75 14.127 5.436 -7.884 580 HD3 LYS 75 HD3 LYS 75 12.444 4.898 -8.024 581 HE2 LYS 75 HE2 LYS 75 11.696 7.297 -7.904 582 HE3 LYS 75 HE3 LYS 75 13.314 7.800 -7.454 583 HZ1 LYS 75 HZ1 LYS 75 12.506 6.876 -10.137 584 HZ2 LYS 75 HZ2 LYS 75 14.067 7.217 -9.665 585 HZ3 LYS 75 HZ3 LYS 75 12.921 8.381 -9.654 586 H LEU 76 H LEU 76 11.876 3.069 -5.525 587 HA LEU 76 HA LEU 76 11.127 2.983 -2.744 588 HB2 LEU 76 HB2 LEU 76 9.829 1.657 -5.150 589 HB3 LEU 76 HB3 LEU 76 9.162 1.489 -3.530 590 HG LEU 76 HG LEU 76 9.663 4.178 -4.864 591 HD11 LEU 76 HD11 LEU 76 7.904 2.810 -6.030 592 HD12 LEU 76 HD12 LEU 76 7.286 4.292 -5.289 593 HD13 LEU 76 HD13 LEU 76 7.010 2.736 -4.485 594 HD21 LEU 76 HD21 LEU 76 8.053 4.947 -3.032 595 HD22 LEU 76 HD22 LEU 76 9.573 4.356 -2.386 596 HD23 LEU 76 HD23 LEU 76 8.126 3.318 -2.338 597 H ALA 77 H ALA 77 12.157 0.232 -4.858 598 HA ALA 77 HA ALA 77 11.919 -1.764 -2.821 599 HB1 ALA 77 HB1 ALA 77 12.301 -2.370 -5.115 600 HB2 ALA 77 HB2 ALA 77 13.889 -1.571 -5.102 601 HB3 ALA 77 HB3 ALA 77 13.589 -3.004 -4.084 602 H ALA 78 H ALA 78 14.649 0.469 -3.643 603 HA ALA 78 HA ALA 78 16.528 -0.541 -1.785 604 HB1 ALA 78 HB1 ALA 78 17.765 1.483 -2.240 605 HB2 ALA 78 HB2 ALA 78 16.999 0.966 -3.754 606 HB3 ALA 78 HB3 ALA 78 16.317 2.312 -2.840 607 H ILE 79 H ILE 79 14.259 2.216 -1.482 608 HA ILE 79 HA ILE 79 15.048 3.063 1.115 609 HB ILE 79 HB ILE 79 12.361 3.355 -0.319 610 HG12 ILE 79 HG12 ILE 79 14.346 5.580 0.184 611 HG13 ILE 79 HG13 ILE 79 14.478 4.585 -1.269 612 HG21 ILE 79 HG21 ILE 79 12.127 5.311 1.397 613 HG22 ILE 79 HG22 ILE 79 11.864 3.660 1.975 614 HG23 ILE 79 HG23 ILE 79 13.400 4.500 2.306 615 HD11 ILE 79 HD11 ILE 79 13.288 6.611 -1.837 616 HD12 ILE 79 HD12 ILE 79 12.112 5.290 -1.866 617 HD13 ILE 79 HD13 ILE 79 12.160 6.440 -0.509 618 H ALA 80 H ALA 80 12.638 0.635 0.035 619 HA ALA 80 HA ALA 80 11.611 0.148 2.663 620 HB1 ALA 80 HB1 ALA 80 10.360 -0.392 0.605 621 HB2 ALA 80 HB2 ALA 80 11.579 -1.599 0.172 622 HB3 ALA 80 HB3 ALA 80 10.568 -1.834 1.620 623 H ALA 81 H ALA 81 14.152 -1.502 0.746 624 HA ALA 81 HA ALA 81 14.511 -3.740 2.328 625 HB1 ALA 81 HB1 ALA 81 16.640 -2.149 0.860 626 HB2 ALA 81 HB2 ALA 81 16.775 -3.844 1.369 627 HB3 ALA 81 HB3 ALA 81 15.599 -3.371 0.134 628 HA PRO 82 HA PRO 82 16.299 -5.116 3.215 629 HB2 PRO 82 HB2 PRO 82 16.873 -6.319 5.575 630 HB3 PRO 82 HB3 PRO 82 18.099 -5.404 4.647 631 HG2 PRO 82 HG2 PRO 82 16.460 -4.453 7.018 632 HG3 PRO 82 HG3 PRO 82 18.219 -4.268 6.739 633 HD2 PRO 82 HD2 PRO 82 16.364 -2.297 6.153 634 HD3 PRO 82 HD3 PRO 82 17.881 -2.514 5.238 635 H ALA 83 H ALA 83 14.244 -5.749 2.719 636 HA ALA 83 HA ALA 83 12.449 -6.957 4.525 637 HB1 ALA 83 HB1 ALA 83 11.587 -4.256 3.352 638 HB2 ALA 83 HB2 ALA 83 10.529 -5.410 4.198 639 HB3 ALA 83 HB3 ALA 83 11.818 -4.596 5.082 640 H GLU 84 H GLU 84 10.247 -7.033 2.895 641 HA GLU 84 HA GLU 84 11.179 -7.607 0.118 642 HB2 GLU 84 HB2 GLU 84 9.692 -9.282 2.120 643 HB3 GLU 84 HB3 GLU 84 9.020 -9.239 0.497 644 HG2 GLU 84 HG2 GLU 84 10.504 -11.135 0.735 645 HG3 GLU 84 HG3 GLU 84 11.074 -10.007 -0.494 646 H ILE 85 H ILE 85 9.757 -6.691 -1.472 647 HA ILE 85 HA ILE 85 7.415 -5.248 -0.446 648 HB ILE 85 HB ILE 85 7.862 -3.575 -2.259 649 HG12 ILE 85 HG12 ILE 85 9.803 -4.871 -3.304 650 HG13 ILE 85 HG13 ILE 85 9.931 -3.126 -3.131 651 HG21 ILE 85 HG21 ILE 85 9.368 -2.250 -0.729 652 HG22 ILE 85 HG22 ILE 85 7.853 -2.862 -0.081 653 HG23 ILE 85 HG23 ILE 85 9.388 -3.676 0.337 654 HD11 ILE 85 HD11 ILE 85 11.998 -4.417 -2.549 655 HD12 ILE 85 HD12 ILE 85 11.448 -3.323 -1.270 656 HD13 ILE 85 HD13 ILE 85 11.150 -5.048 -1.118 657 H PHE 86 H PHE 86 5.598 -5.320 -1.673 658 HA PHE 86 HA PHE 86 5.712 -6.677 -4.324 659 HB2 PHE 86 HB2 PHE 86 3.648 -7.032 -2.130 660 HB3 PHE 86 HB3 PHE 86 3.541 -7.713 -3.759 661 HD1 PHE 86 HD1 PHE 86 5.239 -7.870 -0.512 662 HD2 PHE 86 HD2 PHE 86 4.949 -9.593 -4.446 663 HE1 PHE 86 HE1 PHE 86 6.743 -9.750 0.190 664 HE2 PHE 86 HE2 PHE 86 6.403 -11.477 -3.739 665 HZ PHE 86 HZ PHE 86 7.363 -11.509 -1.446 666 H LEU 87 H LEU 87 3.981 -6.066 -5.762 667 HA LEU 87 HA LEU 87 2.904 -3.321 -5.253 668 HB2 LEU 87 HB2 LEU 87 3.595 -4.539 -7.948 669 HB3 LEU 87 HB3 LEU 87 3.089 -2.894 -7.616 670 HG LEU 87 HG LEU 87 5.748 -4.201 -6.917 671 HD11 LEU 87 HD11 LEU 87 6.679 -2.549 -8.466 672 HD12 LEU 87 HD12 LEU 87 5.053 -1.879 -8.754 673 HD13 LEU 87 HD13 LEU 87 5.448 -3.524 -9.275 674 HD21 LEU 87 HD21 LEU 87 6.395 -1.863 -6.195 675 HD22 LEU 87 HD22 LEU 87 5.302 -2.705 -5.090 676 HD23 LEU 87 HD23 LEU 87 4.633 -1.482 -6.152 677 H LEU 88 H LEU 88 0.782 -3.318 -5.116 678 HA LEU 88 HA LEU 88 -0.796 -5.691 -5.899 679 HB2 LEU 88 HB2 LEU 88 -1.329 -4.291 -3.872 680 HB3 LEU 88 HB3 LEU 88 -1.808 -2.985 -4.928 681 HG LEU 88 HG LEU 88 -3.404 -4.796 -6.042 682 HD11 LEU 88 HD11 LEU 88 -2.632 -6.813 -4.938 683 HD12 LEU 88 HD12 LEU 88 -4.177 -6.407 -4.166 684 HD13 LEU 88 HD13 LEU 88 -2.697 -6.019 -3.348 685 HD21 LEU 88 HD21 LEU 88 -5.205 -4.180 -4.651 686 HD22 LEU 88 HD22 LEU 88 -4.102 -2.791 -4.607 687 HD23 LEU 88 HD23 LEU 88 -4.174 -3.930 -3.250 688 H GLU 89 H GLU 89 -0.366 -5.779 -8.193 689 HA GLU 89 HA GLU 89 -0.448 -3.672 -9.996 690 HB2 GLU 89 HB2 GLU 89 -0.649 -5.394 -11.642 691 HB3 GLU 89 HB3 GLU 89 0.548 -5.826 -10.424 692 HG2 GLU 89 HG2 GLU 89 -1.125 -7.366 -9.382 693 HG3 GLU 89 HG3 GLU 89 -2.285 -6.951 -10.658 694 H ASP 90 H ASP 90 -3.178 -5.601 -8.747 695 HA ASP 90 HA ASP 90 -5.015 -4.730 -10.745 696 HB2 ASP 90 HB2 ASP 90 -5.296 -6.717 -9.214 697 HB3 ASP 90 HB3 ASP 90 -5.750 -5.582 -7.928 698 H GLY 91 H GLY 91 -3.686 -3.156 -8.009 699 HA2 GLY 91 HA2 GLY 91 -3.709 -0.801 -7.675 700 HA3 GLY 91 HA3 GLY 91 -5.242 -0.717 -8.560 701 H ILE 92 H ILE 92 -4.826 0.509 -6.002 702 HA ILE 92 HA ILE 92 -5.917 -1.078 -3.895 703 HB ILE 92 HB ILE 92 -4.625 1.040 -3.741 704 HG12 ILE 92 HG12 ILE 92 -6.010 -0.030 -1.884 705 HG13 ILE 92 HG13 ILE 92 -5.321 1.558 -1.674 706 HG21 ILE 92 HG21 ILE 92 -5.802 2.362 -5.451 707 HG22 ILE 92 HG22 ILE 92 -7.225 2.450 -4.407 708 HG23 ILE 92 HG23 ILE 92 -5.695 3.207 -3.900 709 HD11 ILE 92 HD11 ILE 92 -8.253 0.925 -2.164 710 HD12 ILE 92 HD12 ILE 92 -7.512 1.568 -0.708 711 HD13 ILE 92 HD13 ILE 92 -7.588 2.568 -2.153 712 H ASP 93 H ASP 93 -7.270 0.366 -6.676 713 HA ASP 93 HA ASP 93 -9.993 0.751 -6.169 714 HB2 ASP 93 HB2 ASP 93 -8.308 -0.155 -8.546 715 HB3 ASP 93 HB3 ASP 93 -10.035 0.027 -8.688 716 H GLY 94 H GLY 94 -8.134 -2.223 -6.971 717 HA2 GLY 94 HA2 GLY 94 -10.306 -4.040 -7.022 718 HA3 GLY 94 HA3 GLY 94 -8.586 -4.422 -6.889 719 H TRP 95 H TRP 95 -8.864 -2.518 -4.273 720 HA TRP 95 HA TRP 95 -8.955 -4.704 -2.379 721 HB2 TRP 95 HB2 TRP 95 -7.655 -2.563 -2.139 722 HB3 TRP 95 HB3 TRP 95 -9.161 -1.730 -1.795 723 HD1 TRP 95 HD1 TRP 95 -10.350 -2.332 0.599 724 HE1 TRP 95 HE1 TRP 95 -9.391 -3.249 2.784 725 HE3 TRP 95 HE3 TRP 95 -5.857 -4.122 -1.155 726 HZ2 TRP 95 HZ2 TRP 95 -7.061 -4.694 3.652 727 HZ3 TRP 95 HZ3 TRP 95 -4.265 -5.155 0.412 728 HH2 TRP 95 HH2 TRP 95 -4.861 -5.491 2.807 729 H LYS 96 H LYS 96 -11.066 -1.964 -3.195 730 HA LYS 96 HA LYS 96 -13.230 -2.619 -1.498 731 HB2 LYS 96 HB2 LYS 96 -13.149 -1.077 -4.140 732 HB3 LYS 96 HB3 LYS 96 -14.565 -1.153 -3.086 733 HG2 LYS 96 HG2 LYS 96 -13.337 -0.077 -1.260 734 HG3 LYS 96 HG3 LYS 96 -11.841 -0.095 -2.198 735 HD2 LYS 96 HD2 LYS 96 -12.812 2.128 -2.204 736 HD3 LYS 96 HD3 LYS 96 -12.798 1.459 -3.843 737 HE2 LYS 96 HE2 LYS 96 -15.161 0.963 -3.752 738 HE3 LYS 96 HE3 LYS 96 -15.232 1.340 -2.022 739 HZ1 LYS 96 HZ1 LYS 96 -16.086 3.136 -3.372 740 HZ2 LYS 96 HZ2 LYS 96 -14.646 3.317 -4.155 741 HZ3 LYS 96 HZ3 LYS 96 -14.767 3.651 -2.552 742 H LYS 97 H LYS 97 -12.645 -3.464 -4.880 743 HA LYS 97 HA LYS 97 -14.994 -4.746 -5.584 744 HB2 LYS 97 HB2 LYS 97 -13.219 -4.259 -7.171 745 HB3 LYS 97 HB3 LYS 97 -12.112 -5.344 -6.320 746 HG2 LYS 97 HG2 LYS 97 -13.566 -7.288 -6.923 747 HG3 LYS 97 HG3 LYS 97 -14.633 -6.193 -7.806 748 HD2 LYS 97 HD2 LYS 97 -13.130 -7.360 -9.318 749 HD3 LYS 97 HD3 LYS 97 -12.753 -5.620 -9.318 750 HE2 LYS 97 HE2 LYS 97 -10.829 -5.974 -7.886 751 HE3 LYS 97 HE3 LYS 97 -11.231 -7.680 -7.648 752 HZ1 LYS 97 HZ1 LYS 97 -9.466 -7.043 -9.303 753 HZ2 LYS 97 HZ2 LYS 97 -10.647 -6.535 -10.286 754 HZ3 LYS 97 HZ3 LYS 97 -10.596 -8.145 -9.844 755 H ALA 98 H ALA 98 -12.110 -6.371 -4.099 756 HA ALA 98 HA ALA 98 -13.269 -8.940 -3.978 757 HB1 ALA 98 HB1 ALA 98 -11.511 -9.392 -2.288 758 HB2 ALA 98 HB2 ALA 98 -10.867 -8.472 -3.659 759 HB3 ALA 98 HB3 ALA 98 -11.247 -7.652 -2.113 760 H GLY 99 H GLY 99 -14.092 -6.161 -2.076 761 HA2 GLY 99 HA2 GLY 99 -15.980 -6.135 -0.659 762 HA3 GLY 99 HA3 GLY 99 -15.808 -7.856 -0.327 763 H LEU 100 H LEU 100 -12.774 -6.214 -0.161 764 HA LEU 100 HA LEU 100 -12.579 -6.687 2.667 765 HB2 LEU 100 HB2 LEU 100 -10.850 -5.096 0.763 766 HB3 LEU 100 HB3 LEU 100 -10.408 -5.461 2.409 767 HG LEU 100 HG LEU 100 -10.911 -7.609 0.311 768 HD11 LEU 100 HD11 LEU 100 -8.262 -6.569 1.378 769 HD12 LEU 100 HD12 LEU 100 -8.940 -6.177 -0.212 770 HD13 LEU 100 HD13 LEU 100 -8.506 -7.846 0.168 771 HD21 LEU 100 HD21 LEU 100 -11.214 -8.606 2.447 772 HD22 LEU 100 HD22 LEU 100 -9.934 -7.621 3.190 773 HD23 LEU 100 HD23 LEU 100 -9.510 -8.910 2.059 774 HA PRO 101 HA PRO 101 -14.304 -2.877 4.066 775 HB2 PRO 101 HB2 PRO 101 -12.999 -2.417 6.450 776 HB3 PRO 101 HB3 PRO 101 -14.178 -3.745 6.196 777 HG2 PRO 101 HG2 PRO 101 -11.175 -3.857 6.186 778 HG3 PRO 101 HG3 PRO 101 -12.328 -5.023 6.884 779 HD2 PRO 101 HD2 PRO 101 -11.114 -5.349 4.387 780 HD3 PRO 101 HD3 PRO 101 -12.686 -6.070 4.852 781 H VAL 102 H VAL 102 -13.752 -0.600 4.799 782 HA VAL 102 HA VAL 102 -11.167 0.469 4.014 783 HB VAL 102 HB VAL 102 -12.513 2.226 2.597 784 HG11 VAL 102 HG11 VAL 102 -11.972 1.126 0.537 785 HG12 VAL 102 HG12 VAL 102 -10.716 0.723 1.720 786 HG13 VAL 102 HG13 VAL 102 -11.963 -0.470 1.315 787 HG21 VAL 102 HG21 VAL 102 -14.285 -0.170 2.011 788 HG22 VAL 102 HG22 VAL 102 -14.741 1.163 3.085 789 HG23 VAL 102 HG23 VAL 102 -14.407 1.485 1.371 790 H ALA 103 H ALA 103 -11.174 2.796 4.501 791 HA ALA 103 HA ALA 103 -12.244 3.427 7.116 792 HB1 ALA 103 HB1 ALA 103 -9.892 3.825 6.414 793 HB2 ALA 103 HB2 ALA 103 -10.454 4.993 5.200 794 HB3 ALA 103 HB3 ALA 103 -10.708 5.321 6.918 795 H VAL 104 H VAL 104 -14.489 3.212 5.741 796 HA VAL 104 HA VAL 104 -15.277 5.999 5.042 797 HB VAL 104 HB VAL 104 -16.946 5.069 3.561 798 HG11 VAL 104 HG11 VAL 104 -14.710 5.611 2.732 799 HG12 VAL 104 HG12 VAL 104 -14.208 3.917 2.930 800 HG13 VAL 104 HG13 VAL 104 -15.481 4.339 1.771 801 HG21 VAL 104 HG21 VAL 104 -17.531 2.959 4.482 802 HG22 VAL 104 HG22 VAL 104 -16.819 2.630 2.896 803 HG23 VAL 104 HG23 VAL 104 -15.877 2.368 4.382 804 H ASN 105 H ASN 105 -17.894 6.034 5.272 805 HA ASN 105 HA ASN 105 -18.643 4.911 7.958 806 HB2 ASN 105 HB2 ASN 105 -18.898 7.725 6.887 807 HB3 ASN 105 HB3 ASN 105 -20.052 7.096 8.075 808 HD21 ASN 105 HD21 ASN 105 -16.675 6.092 8.302 809 HD22 ASN 105 HD22 ASN 105 -16.277 7.288 9.527 810 H LYS 106 H LYS 106 -19.148 3.353 5.841 811 HA LYS 106 HA LYS 106 -22.009 3.308 5.643 812 HB2 LYS 106 HB2 LYS 106 -22.215 3.374 3.233 813 HB3 LYS 106 HB3 LYS 106 -21.499 4.891 3.760 814 HG2 LYS 106 HG2 LYS 106 -19.289 4.198 2.973 815 HG3 LYS 106 HG3 LYS 106 -19.845 2.549 2.676 816 HD2 LYS 106 HD2 LYS 106 -19.702 3.615 0.566 817 HD3 LYS 106 HD3 LYS 106 -21.420 3.390 0.935 818 HE2 LYS 106 HE2 LYS 106 -21.520 5.775 1.727 819 HE3 LYS 106 HE3 LYS 106 -19.806 5.955 1.316 820 HZ1 LYS 106 HZ1 LYS 106 -22.034 5.490 -0.568 821 HZ2 LYS 106 HZ2 LYS 106 -20.461 5.401 -1.009 822 HZ3 LYS 106 HZ3 LYS 106 -21.093 6.817 -0.410 823 H SER 107 H SER 107 -22.581 1.279 4.186 824 HA SER 107 HA SER 107 -20.415 -0.737 4.232 825 HB2 SER 107 HB2 SER 107 -23.245 -1.144 5.260 826 HB3 SER 107 HB3 SER 107 -21.951 -2.351 5.196 827 HG SER 107 HG SER 107 -22.214 -1.309 7.263 828 H GLN 108 H GLN 108 -21.231 -2.722 3.070 829 HA GLN 108 HA GLN 108 -23.008 -2.403 0.823 830 HB2 GLN 108 HB2 GLN 108 -20.856 -1.457 0.007 831 HB3 GLN 108 HB3 GLN 108 -20.001 -2.924 0.515 832 HG2 GLN 108 HG2 GLN 108 -21.051 -4.244 -1.170 833 HG3 GLN 108 HG3 GLN 108 -22.284 -3.018 -1.464 834 HE21 GLN 108 HE21 GLN 108 -22.006 -2.026 -3.433 835 HE22 GLN 108 HE22 GLN 108 -20.465 -1.692 -4.166 Start of MODEL 17 1 H ALA 1 H ALA 1 14.790 -7.297 -8.332 2 HA ALA 1 HA ALA 1 13.520 -5.496 -7.473 3 HB1 ALA 1 HB1 ALA 1 12.212 -6.090 -10.152 4 HB2 ALA 1 HB2 ALA 1 12.529 -4.507 -9.424 5 HB3 ALA 1 HB3 ALA 1 13.881 -5.496 -10.012 6 H LEU 2 H LEU 2 11.305 -4.483 -7.375 7 HA LEU 2 HA LEU 2 9.618 -5.644 -5.631 8 HB2 LEU 2 HB2 LEU 2 8.759 -3.802 -7.905 9 HB3 LEU 2 HB3 LEU 2 7.839 -4.155 -6.444 10 HG LEU 2 HG LEU 2 10.459 -2.618 -6.610 11 HD11 LEU 2 HD11 LEU 2 8.407 -1.389 -7.247 12 HD12 LEU 2 HD12 LEU 2 9.063 -0.787 -5.699 13 HD13 LEU 2 HD13 LEU 2 7.649 -1.861 -5.700 14 HD21 LEU 2 HD21 LEU 2 10.546 -3.900 -4.559 15 HD22 LEU 2 HD22 LEU 2 8.849 -3.520 -4.195 16 HD23 LEU 2 HD23 LEU 2 10.096 -2.244 -4.143 17 H THR 3 H THR 3 8.737 -7.610 -5.632 18 HA THR 3 HA THR 3 7.771 -8.907 -8.027 19 HB THR 3 HB THR 3 7.614 -9.612 -5.062 20 HG1 THR 3 HG1 THR 3 9.502 -10.033 -7.110 21 HG21 THR 3 HG21 THR 3 7.484 -11.982 -5.861 22 HG22 THR 3 HG22 THR 3 7.218 -11.382 -7.515 23 HG23 THR 3 HG23 THR 3 6.040 -11.058 -6.222 24 H THR 4 H THR 4 5.489 -9.808 -8.094 25 HA THR 4 HA THR 4 3.423 -7.904 -7.183 26 HB THR 4 HB THR 4 2.506 -8.860 -9.562 27 HG1 THR 4 HG1 THR 4 4.129 -9.929 -10.453 28 HG21 THR 4 HG21 THR 4 3.396 -6.813 -10.620 29 HG22 THR 4 HG22 THR 4 4.573 -6.621 -9.298 30 HG23 THR 4 HG23 THR 4 2.834 -6.456 -8.978 31 H ILE 5 H ILE 5 1.409 -8.887 -6.661 32 HA ILE 5 HA ILE 5 1.335 -11.835 -6.414 33 HB ILE 5 HB ILE 5 0.590 -11.870 -4.213 34 HG12 ILE 5 HG12 ILE 5 -0.890 -10.028 -3.967 35 HG13 ILE 5 HG13 ILE 5 0.299 -9.978 -2.697 36 HG21 ILE 5 HG21 ILE 5 3.047 -11.631 -4.508 37 HG22 ILE 5 HG22 ILE 5 2.900 -9.895 -4.175 38 HG23 ILE 5 HG23 ILE 5 2.477 -11.086 -2.931 39 HD11 ILE 5 HD11 ILE 5 -0.188 -7.735 -3.545 40 HD12 ILE 5 HD12 ILE 5 1.497 -8.147 -3.897 41 HD13 ILE 5 HD13 ILE 5 0.264 -8.227 -5.184 42 H SER 6 H SER 6 -1.119 -12.457 -5.624 43 HA SER 6 HA SER 6 -2.780 -11.673 -7.776 44 HB2 SER 6 HB2 SER 6 -4.018 -12.901 -5.353 45 HB3 SER 6 HB3 SER 6 -4.134 -13.373 -7.046 46 HG SER 6 HG SER 6 -1.971 -14.228 -6.863 47 HA PRO 7 HA PRO 7 -4.783 -8.044 -6.307 48 HB2 PRO 7 HB2 PRO 7 -7.462 -8.271 -6.892 49 HB3 PRO 7 HB3 PRO 7 -6.173 -8.073 -8.115 50 HG2 PRO 7 HG2 PRO 7 -7.454 -10.648 -7.145 51 HG3 PRO 7 HG3 PRO 7 -7.224 -10.095 -8.841 52 HD2 PRO 7 HD2 PRO 7 -5.469 -11.794 -7.707 53 HD3 PRO 7 HD3 PRO 7 -4.881 -10.435 -8.718 54 H HIS 8 H HIS 8 -5.652 -10.896 -4.657 55 HA HIS 8 HA HIS 8 -6.951 -9.366 -2.434 56 HB2 HIS 8 HB2 HIS 8 -8.358 -10.939 -3.764 57 HB3 HIS 8 HB3 HIS 8 -7.277 -12.246 -3.323 58 HD1 HIS 8 HD1 HIS 8 -9.302 -9.680 -1.148 59 HD2 HIS 8 HD2 HIS 8 -8.438 -13.767 -1.688 60 HE1 HIS 8 HE1 HIS 8 -10.681 -10.940 0.583 61 H ASP 9 H ASP 9 -4.437 -11.610 -3.387 62 HA ASP 9 HA ASP 9 -3.710 -12.800 -0.964 63 HB2 ASP 9 HB2 ASP 9 -2.804 -12.986 -3.494 64 HB3 ASP 9 HB3 ASP 9 -1.523 -11.986 -2.853 65 H ALA 10 H ALA 10 -3.333 -9.523 -1.898 66 HA ALA 10 HA ALA 10 -1.054 -8.730 -0.371 67 HB1 ALA 10 HB1 ALA 10 -2.143 -7.236 -2.006 68 HB2 ALA 10 HB2 ALA 10 -3.622 -7.200 -1.027 69 HB3 ALA 10 HB3 ALA 10 -2.130 -6.470 -0.402 70 H GLN 11 H GLN 11 -4.566 -8.862 0.515 71 HA GLN 11 HA GLN 11 -4.268 -8.009 3.177 72 HB2 GLN 11 HB2 GLN 11 -6.296 -8.315 1.537 73 HB3 GLN 11 HB3 GLN 11 -6.477 -9.868 2.306 74 HG2 GLN 11 HG2 GLN 11 -6.082 -7.438 4.090 75 HG3 GLN 11 HG3 GLN 11 -7.574 -7.539 3.212 76 HE21 GLN 11 HE21 GLN 11 -7.397 -7.550 6.064 77 HE22 GLN 11 HE22 GLN 11 -7.994 -9.141 6.585 78 H GLU 12 H GLU 12 -4.237 -11.203 1.740 79 HA GLU 12 HA GLU 12 -4.123 -12.890 4.040 80 HB2 GLU 12 HB2 GLU 12 -4.434 -13.575 1.671 81 HB3 GLU 12 HB3 GLU 12 -2.772 -13.178 1.340 82 HG2 GLU 12 HG2 GLU 12 -2.970 -15.515 1.605 83 HG3 GLU 12 HG3 GLU 12 -1.965 -14.854 2.897 84 H LEU 13 H LEU 13 -1.489 -11.177 2.262 85 HA LEU 13 HA LEU 13 0.571 -12.281 3.925 86 HB2 LEU 13 HB2 LEU 13 0.364 -9.870 2.123 87 HB3 LEU 13 HB3 LEU 13 1.850 -10.230 2.993 88 HG LEU 13 HG LEU 13 0.528 -12.302 1.196 89 HD11 LEU 13 HD11 LEU 13 2.557 -10.175 0.394 90 HD12 LEU 13 HD12 LEU 13 0.883 -10.325 -0.171 91 HD13 LEU 13 HD13 LEU 13 2.067 -11.564 -0.594 92 HD21 LEU 13 HD21 LEU 13 2.195 -13.188 2.744 93 HD22 LEU 13 HD22 LEU 13 3.356 -11.933 2.286 94 HD23 LEU 13 HD23 LEU 13 2.888 -13.169 1.123 95 H ILE 14 H ILE 14 -1.212 -9.171 4.085 96 HA ILE 14 HA ILE 14 0.127 -8.203 6.417 97 HB ILE 14 HB ILE 14 -2.659 -7.611 5.377 98 HG12 ILE 14 HG12 ILE 14 -0.404 -5.664 4.975 99 HG13 ILE 14 HG13 ILE 14 -0.322 -7.107 4.010 100 HG21 ILE 14 HG21 ILE 14 -2.446 -6.805 7.666 101 HG22 ILE 14 HG22 ILE 14 -0.887 -6.031 7.275 102 HG23 ILE 14 HG23 ILE 14 -2.394 -5.428 6.550 103 HD11 ILE 14 HD11 ILE 14 -2.633 -6.750 3.229 104 HD12 ILE 14 HD12 ILE 14 -2.712 -5.228 4.134 105 HD13 ILE 14 HD13 ILE 14 -1.559 -5.447 2.776 106 H ALA 15 H ALA 15 -2.686 -10.354 6.028 107 HA ALA 15 HA ALA 15 -3.495 -10.370 8.750 108 HB1 ALA 15 HB1 ALA 15 -4.924 -11.225 6.900 109 HB2 ALA 15 HB2 ALA 15 -3.790 -12.568 6.643 110 HB3 ALA 15 HB3 ALA 15 -4.687 -12.463 8.160 111 H ARG 16 H ARG 16 -1.263 -12.382 6.859 112 HA ARG 16 HA ARG 16 -0.509 -14.211 8.910 113 HB2 ARG 16 HB2 ARG 16 0.809 -13.276 6.328 114 HB3 ARG 16 HB3 ARG 16 1.465 -14.572 7.317 115 HG2 ARG 16 HG2 ARG 16 -0.509 -15.934 6.989 116 HG3 ARG 16 HG3 ARG 16 -1.426 -14.652 6.309 117 HD2 ARG 16 HD2 ARG 16 -0.124 -14.606 4.292 118 HD3 ARG 16 HD3 ARG 16 1.156 -15.575 5.034 119 HE ARG 16 HE ARG 16 -1.628 -16.550 4.529 120 HH11 ARG 16 HH11 ARG 16 1.881 -17.147 4.316 121 HH12 ARG 16 HH12 ARG 16 1.760 -18.860 4.423 122 HH21 ARG 16 HH21 ARG 16 -1.828 -18.834 4.463 123 HH22 ARG 16 HH22 ARG 16 -0.463 -19.860 4.271 124 H GLY 17 H GLY 17 0.997 -11.166 7.744 125 HA2 GLY 17 HA2 GLY 17 1.761 -10.184 10.213 126 HA3 GLY 17 HA3 GLY 17 3.096 -11.250 9.763 127 H ALA 18 H ALA 18 1.846 -9.871 6.900 128 HA ALA 18 HA ALA 18 4.183 -8.181 6.660 129 HB1 ALA 18 HB1 ALA 18 1.802 -8.417 4.756 130 HB2 ALA 18 HB2 ALA 18 3.427 -7.830 4.374 131 HB3 ALA 18 HB3 ALA 18 3.187 -9.531 4.775 132 H LYS 19 H LYS 19 3.544 -5.970 5.423 133 HA LYS 19 HA LYS 19 1.591 -4.443 7.066 134 HB2 LYS 19 HB2 LYS 19 4.534 -4.054 6.694 135 HB3 LYS 19 HB3 LYS 19 3.595 -2.610 6.412 136 HG2 LYS 19 HG2 LYS 19 3.546 -4.350 8.953 137 HG3 LYS 19 HG3 LYS 19 4.422 -2.821 8.769 138 HD2 LYS 19 HD2 LYS 19 2.261 -1.665 8.353 139 HD3 LYS 19 HD3 LYS 19 1.395 -3.171 8.681 140 HE2 LYS 19 HE2 LYS 19 2.315 -3.215 10.971 141 HE3 LYS 19 HE3 LYS 19 3.119 -1.657 10.670 142 HZ1 LYS 19 HZ1 LYS 19 0.874 -0.712 10.233 143 HZ2 LYS 19 HZ2 LYS 19 0.962 -1.334 11.742 144 HZ3 LYS 19 HZ3 LYS 19 0.200 -2.150 10.533 145 H LEU 20 H LEU 20 0.883 -2.328 5.999 146 HA LEU 20 HA LEU 20 1.052 -2.593 3.045 147 HB2 LEU 20 HB2 LEU 20 -1.026 -3.522 3.990 148 HB3 LEU 20 HB3 LEU 20 -1.416 -1.994 4.705 149 HG LEU 20 HG LEU 20 -1.528 -0.937 2.497 150 HD11 LEU 20 HD11 LEU 20 0.058 -2.156 1.147 151 HD12 LEU 20 HD12 LEU 20 -1.529 -2.389 0.451 152 HD13 LEU 20 HD13 LEU 20 -0.814 -3.690 1.406 153 HD21 LEU 20 HD21 LEU 20 -3.570 -2.011 1.712 154 HD22 LEU 20 HD22 LEU 20 -3.534 -2.099 3.488 155 HD23 LEU 20 HD23 LEU 20 -3.146 -3.523 2.522 156 H ILE 21 H ILE 21 2.020 -0.904 2.211 157 HA ILE 21 HA ILE 21 1.713 1.765 3.482 158 HB ILE 21 HB ILE 21 3.908 0.349 1.951 159 HG12 ILE 21 HG12 ILE 21 5.405 0.991 3.663 160 HG13 ILE 21 HG13 ILE 21 4.295 2.103 4.382 161 HG21 ILE 21 HG21 ILE 21 5.137 2.414 1.670 162 HG22 ILE 21 HG22 ILE 21 3.609 2.568 0.852 163 HG23 ILE 21 HG23 ILE 21 3.813 3.368 2.412 164 HD11 ILE 21 HD11 ILE 21 3.834 -0.904 4.357 165 HD12 ILE 21 HD12 ILE 21 4.594 -0.016 5.685 166 HD13 ILE 21 HD13 ILE 21 2.905 0.321 5.257 167 H ASP 22 H ASP 22 0.895 3.360 2.307 168 HA ASP 22 HA ASP 22 0.151 2.807 -0.544 169 HB2 ASP 22 HB2 ASP 22 -1.558 3.373 1.539 170 HB3 ASP 22 HB3 ASP 22 -1.367 4.953 0.769 171 H ILE 23 H ILE 23 1.849 3.537 -1.569 172 HA ILE 23 HA ILE 23 3.374 5.867 -0.853 173 HB ILE 23 HB ILE 23 4.735 5.257 -2.775 174 HG12 ILE 23 HG12 ILE 23 2.817 2.928 -3.245 175 HG13 ILE 23 HG13 ILE 23 2.817 4.403 -4.224 176 HG21 ILE 23 HG21 ILE 23 4.075 2.701 -1.278 177 HG22 ILE 23 HG22 ILE 23 5.643 3.276 -1.864 178 HG23 ILE 23 HG23 ILE 23 4.881 4.081 -0.490 179 HD11 ILE 23 HD11 ILE 23 4.118 2.779 -5.361 180 HD12 ILE 23 HD12 ILE 23 5.241 3.986 -4.724 181 HD13 ILE 23 HD13 ILE 23 5.081 2.397 -3.924 182 H ARG 24 H ARG 24 0.500 5.840 -2.456 183 HA ARG 24 HA ARG 24 1.015 7.543 -4.706 184 HB2 ARG 24 HB2 ARG 24 -1.552 8.003 -4.500 185 HB3 ARG 24 HB3 ARG 24 -0.982 6.396 -4.872 186 HG2 ARG 24 HG2 ARG 24 -1.329 5.539 -2.844 187 HG3 ARG 24 HG3 ARG 24 -1.559 7.088 -2.005 188 HD2 ARG 24 HD2 ARG 24 -3.708 7.408 -2.853 189 HD3 ARG 24 HD3 ARG 24 -3.374 6.463 -4.316 190 HE ARG 24 HE ARG 24 -3.094 4.630 -2.393 191 HH11 ARG 24 HH11 ARG 24 -5.885 6.735 -3.330 192 HH12 ARG 24 HH12 ARG 24 -6.981 5.934 -2.308 193 HH21 ARG 24 HH21 ARG 24 -4.644 3.555 -1.052 194 HH22 ARG 24 HH22 ARG 24 -6.275 4.118 -0.971 195 H ASP 25 H ASP 25 -1.330 8.955 -2.578 196 HA ASP 25 HA ASP 25 0.381 11.288 -1.942 197 HB2 ASP 25 HB2 ASP 25 -2.216 11.341 -3.559 198 HB3 ASP 25 HB3 ASP 25 -1.488 12.754 -2.800 199 H ALA 26 H ALA 26 -0.280 12.197 0.044 200 HA ALA 26 HA ALA 26 -1.954 10.599 1.756 201 HB1 ALA 26 HB1 ALA 26 -0.810 13.386 2.170 202 HB2 ALA 26 HB2 ALA 26 -1.466 12.333 3.433 203 HB3 ALA 26 HB3 ALA 26 0.012 11.856 2.599 204 H ASP 27 H ASP 27 -2.658 13.244 -0.352 205 HA ASP 27 HA ASP 27 -4.971 14.288 1.043 206 HB2 ASP 27 HB2 ASP 27 -3.655 14.786 -1.483 207 HB3 ASP 27 HB3 ASP 27 -5.435 14.797 -1.581 208 H GLU 28 H GLU 28 -4.513 11.504 -1.121 209 HA GLU 28 HA GLU 28 -7.377 11.215 -1.529 210 HB2 GLU 28 HB2 GLU 28 -5.035 9.301 -1.942 211 HB3 GLU 28 HB3 GLU 28 -6.714 8.804 -2.089 212 HG2 GLU 28 HG2 GLU 28 -6.861 10.987 -3.661 213 HG3 GLU 28 HG3 GLU 28 -5.134 10.674 -3.836 214 H TYR 29 H TYR 29 -5.086 10.115 0.934 215 HA TYR 29 HA TYR 29 -6.648 8.088 2.173 216 HB2 TYR 29 HB2 TYR 29 -4.455 8.000 2.901 217 HB3 TYR 29 HB3 TYR 29 -4.226 9.702 2.875 218 HD1 TYR 29 HD1 TYR 29 -4.917 11.160 4.779 219 HD2 TYR 29 HD2 TYR 29 -5.321 6.889 4.914 220 HE1 TYR 29 HE1 TYR 29 -5.206 11.275 7.220 221 HE2 TYR 29 HE2 TYR 29 -5.715 6.986 7.354 222 HH TYR 29 HH TYR 29 -5.770 10.065 9.156 223 H LEU 30 H LEU 30 -6.659 11.616 2.594 224 HA LEU 30 HA LEU 30 -8.257 11.808 4.899 225 HB2 LEU 30 HB2 LEU 30 -7.805 13.572 2.481 226 HB3 LEU 30 HB3 LEU 30 -9.013 14.038 3.665 227 HG LEU 30 HG LEU 30 -6.171 13.387 4.477 228 HD11 LEU 30 HD11 LEU 30 -5.676 15.798 4.400 229 HD12 LEU 30 HD12 LEU 30 -7.279 16.114 3.690 230 HD13 LEU 30 HD13 LEU 30 -6.069 15.181 2.789 231 HD21 LEU 30 HD21 LEU 30 -8.323 15.116 5.779 232 HD22 LEU 30 HD22 LEU 30 -6.693 14.823 6.418 233 HD23 LEU 30 HD23 LEU 30 -7.849 13.491 6.310 234 H ARG 31 H ARG 31 -9.262 11.313 1.551 235 HA ARG 31 HA ARG 31 -12.109 11.578 2.058 236 HB2 ARG 31 HB2 ARG 31 -10.505 10.476 -0.258 237 HB3 ARG 31 HB3 ARG 31 -12.278 10.525 -0.213 238 HG2 ARG 31 HG2 ARG 31 -12.179 12.945 0.232 239 HG3 ARG 31 HG3 ARG 31 -10.410 12.944 0.033 240 HD2 ARG 31 HD2 ARG 31 -10.549 12.234 -2.218 241 HD3 ARG 31 HD3 ARG 31 -12.257 11.766 -2.044 242 HE ARG 31 HE ARG 31 -11.935 14.574 -1.593 243 HH11 ARG 31 HH11 ARG 31 -11.626 12.283 -4.268 244 HH12 ARG 31 HH12 ARG 31 -12.445 13.275 -5.429 245 HH21 ARG 31 HH21 ARG 31 -12.870 15.958 -3.143 246 HH22 ARG 31 HH22 ARG 31 -13.005 15.481 -4.828 247 H GLU 32 H GLU 32 -10.077 8.811 1.195 248 HA GLU 32 HA GLU 32 -11.497 6.960 2.944 249 HB2 GLU 32 HB2 GLU 32 -12.010 5.375 1.049 250 HB3 GLU 32 HB3 GLU 32 -13.061 6.738 1.236 251 HG2 GLU 32 HG2 GLU 32 -11.211 7.667 -0.676 252 HG3 GLU 32 HG3 GLU 32 -11.328 5.956 -1.023 253 H HIS 33 H HIS 33 -10.282 4.998 3.254 254 HA HIS 33 HA HIS 33 -7.804 4.560 1.741 255 HB2 HIS 33 HB2 HIS 33 -7.424 6.321 3.605 256 HB3 HIS 33 HB3 HIS 33 -7.747 5.037 4.758 257 HD1 HIS 33 HD1 HIS 33 -5.401 5.487 1.674 258 HD2 HIS 33 HD2 HIS 33 -5.484 4.067 5.656 259 HE1 HIS 33 HE1 HIS 33 -3.022 4.807 2.278 260 H ILE 34 H ILE 34 -6.615 2.703 3.474 261 HA ILE 34 HA ILE 34 -8.663 0.561 3.713 262 HB ILE 34 HB ILE 34 -5.661 0.449 3.219 263 HG12 ILE 34 HG12 ILE 34 -8.041 -0.538 1.558 264 HG13 ILE 34 HG13 ILE 34 -7.132 0.947 1.238 265 HG21 ILE 34 HG21 ILE 34 -6.402 -1.365 4.812 266 HG22 ILE 34 HG22 ILE 34 -7.595 -1.885 3.621 267 HG23 ILE 34 HG23 ILE 34 -5.865 -2.014 3.293 268 HD11 ILE 34 HD11 ILE 34 -5.955 -1.848 1.170 269 HD12 ILE 34 HD12 ILE 34 -6.382 -0.882 -0.225 270 HD13 ILE 34 HD13 ILE 34 -5.085 -0.337 0.856 271 HA PRO 35 HA PRO 35 -7.879 1.319 8.048 272 HB2 PRO 35 HB2 PRO 35 -8.809 -1.004 9.197 273 HB3 PRO 35 HB3 PRO 35 -9.879 0.254 8.504 274 HG2 PRO 35 HG2 PRO 35 -8.894 -2.293 7.178 275 HG3 PRO 35 HG3 PRO 35 -10.580 -1.660 7.246 276 HD2 PRO 35 HD2 PRO 35 -8.982 -1.286 5.103 277 HD3 PRO 35 HD3 PRO 35 -10.060 0.011 5.641 278 H GLU 36 H GLU 36 -6.774 -1.789 6.670 279 HA GLU 36 HA GLU 36 -4.864 -2.286 8.771 280 HB2 GLU 36 HB2 GLU 36 -5.314 -3.568 6.035 281 HB3 GLU 36 HB3 GLU 36 -4.182 -4.166 7.264 282 HG2 GLU 36 HG2 GLU 36 -5.931 -4.487 8.893 283 HG3 GLU 36 HG3 GLU 36 -7.145 -3.748 7.866 284 H ALA 37 H ALA 37 -4.717 -0.053 6.158 285 HA ALA 37 HA ALA 37 -1.797 -0.343 5.842 286 HB1 ALA 37 HB1 ALA 37 -3.166 0.151 3.831 287 HB2 ALA 37 HB2 ALA 37 -3.652 1.684 4.581 288 HB3 ALA 37 HB3 ALA 37 -1.942 1.373 4.175 289 H ASP 38 H ASP 38 -0.485 1.636 5.998 290 HA ASP 38 HA ASP 38 -1.269 3.178 8.485 291 HB2 ASP 38 HB2 ASP 38 1.256 1.891 7.561 292 HB3 ASP 38 HB3 ASP 38 1.331 3.354 8.521 293 H LEU 39 H LEU 39 -0.354 3.441 5.351 294 HA LEU 39 HA LEU 39 -0.264 5.055 3.719 295 HB2 LEU 39 HB2 LEU 39 -2.109 6.235 4.638 296 HB3 LEU 39 HB3 LEU 39 -1.165 6.751 6.004 297 HG LEU 39 HG LEU 39 0.209 8.209 4.382 298 HD11 LEU 39 HD11 LEU 39 -0.538 7.043 2.275 299 HD12 LEU 39 HD12 LEU 39 -0.782 8.784 2.257 300 HD13 LEU 39 HD13 LEU 39 -2.162 7.702 2.545 301 HD21 LEU 39 HD21 LEU 39 -1.526 9.977 4.333 302 HD22 LEU 39 HD22 LEU 39 -1.290 9.209 5.906 303 HD23 LEU 39 HD23 LEU 39 -2.680 8.754 4.930 304 H ALA 40 H ALA 40 1.247 6.500 2.830 305 HA ALA 40 HA ALA 40 3.268 7.961 4.014 306 HB1 ALA 40 HB1 ALA 40 4.118 5.081 3.789 307 HB2 ALA 40 HB2 ALA 40 5.263 6.423 3.682 308 HB3 ALA 40 HB3 ALA 40 4.319 6.214 5.158 309 HA PRO 41 HA PRO 41 2.953 7.981 -0.569 310 HB2 PRO 41 HB2 PRO 41 3.176 10.712 -0.920 311 HB3 PRO 41 HB3 PRO 41 1.635 9.845 -0.575 312 HG2 PRO 41 HG2 PRO 41 3.472 11.284 1.341 313 HG3 PRO 41 HG3 PRO 41 1.690 11.380 1.229 314 HD2 PRO 41 HD2 PRO 41 2.960 9.808 3.058 315 HD3 PRO 41 HD3 PRO 41 1.434 9.278 2.287 316 H LEU 42 H LEU 42 4.446 8.474 -2.201 317 HA LEU 42 HA LEU 42 7.122 8.057 -1.731 318 HB2 LEU 42 HB2 LEU 42 5.548 8.311 -3.955 319 HB3 LEU 42 HB3 LEU 42 6.487 9.748 -4.098 320 HG LEU 42 HG LEU 42 7.958 8.582 -5.229 321 HD11 LEU 42 HD11 LEU 42 9.734 7.400 -4.159 322 HD12 LEU 42 HD12 LEU 42 8.766 7.085 -2.716 323 HD13 LEU 42 HD13 LEU 42 9.260 8.740 -3.116 324 HD21 LEU 42 HD21 LEU 42 7.961 6.076 -5.288 325 HD22 LEU 42 HD22 LEU 42 6.359 6.800 -5.572 326 HD23 LEU 42 HD23 LEU 42 6.739 6.094 -3.986 327 H SER 43 H SER 43 5.371 11.129 -2.006 328 HA SER 43 HA SER 43 7.421 12.969 -2.129 329 HB2 SER 43 HB2 SER 43 4.943 13.323 -0.408 330 HB3 SER 43 HB3 SER 43 5.782 14.544 -1.385 331 HG SER 43 HG SER 43 5.026 13.526 -3.243 332 H VAL 44 H VAL 44 6.153 11.243 0.733 333 HA VAL 44 HA VAL 44 7.935 12.695 2.582 334 HB VAL 44 HB VAL 44 6.008 10.373 2.956 335 HG11 VAL 44 HG11 VAL 44 6.201 10.798 5.389 336 HG12 VAL 44 HG12 VAL 44 7.724 10.224 4.707 337 HG13 VAL 44 HG13 VAL 44 7.523 11.949 5.080 338 HG21 VAL 44 HG21 VAL 44 5.798 13.290 3.826 339 HG22 VAL 44 HG22 VAL 44 4.960 12.609 2.426 340 HG23 VAL 44 HG23 VAL 44 4.573 12.013 4.045 341 H LEU 45 H LEU 45 7.890 9.595 0.883 342 HA LEU 45 HA LEU 45 10.036 8.364 2.362 343 HB2 LEU 45 HB2 LEU 45 8.435 7.819 -0.108 344 HB3 LEU 45 HB3 LEU 45 9.973 7.019 0.009 345 HG LEU 45 HG LEU 45 7.829 5.850 0.996 346 HD11 LEU 45 HD11 LEU 45 10.466 6.075 2.436 347 HD12 LEU 45 HD12 LEU 45 9.978 4.885 1.211 348 HD13 LEU 45 HD13 LEU 45 9.255 4.837 2.823 349 HD21 LEU 45 HD21 LEU 45 7.345 6.188 3.303 350 HD22 LEU 45 HD22 LEU 45 6.898 7.594 2.307 351 HD23 LEU 45 HD23 LEU 45 8.337 7.628 3.375 352 H GLU 46 H GLU 46 9.964 10.078 -0.733 353 HA GLU 46 HA GLU 46 12.731 9.837 -1.331 354 HB2 GLU 46 HB2 GLU 46 10.617 11.815 -2.106 355 HB3 GLU 46 HB3 GLU 46 12.290 12.135 -2.547 356 HG2 GLU 46 HG2 GLU 46 11.363 9.352 -3.092 357 HG3 GLU 46 HG3 GLU 46 10.544 10.592 -4.014 358 H GLN 47 H GLN 47 10.910 12.026 0.813 359 HA GLN 47 HA GLN 47 13.140 13.801 1.389 360 HB2 GLN 47 HB2 GLN 47 10.345 13.494 2.541 361 HB3 GLN 47 HB3 GLN 47 11.538 14.578 3.255 362 HG2 GLN 47 HG2 GLN 47 11.730 15.846 1.193 363 HG3 GLN 47 HG3 GLN 47 10.593 14.763 0.368 364 HE21 GLN 47 HE21 GLN 47 8.360 14.686 1.250 365 HE22 GLN 47 HE22 GLN 47 7.693 16.018 2.209 366 H SER 48 H SER 48 11.240 11.850 3.723 367 HA SER 48 HA SER 48 13.529 11.703 5.566 368 HB2 SER 48 HB2 SER 48 11.552 12.444 6.564 369 HB3 SER 48 HB3 SER 48 10.543 11.291 5.683 370 HG SER 48 HG SER 48 12.394 10.530 7.711 371 H GLY 49 H GLY 49 11.433 9.406 3.769 372 HA2 GLY 49 HA2 GLY 49 12.350 7.277 3.026 373 HA3 GLY 49 HA3 GLY 49 13.380 7.240 4.457 374 H LEU 50 H LEU 50 12.272 4.973 4.499 375 HA LEU 50 HA LEU 50 9.503 4.943 5.388 376 HB2 LEU 50 HB2 LEU 50 10.719 3.207 3.941 377 HB3 LEU 50 HB3 LEU 50 11.474 2.621 5.418 378 HG LEU 50 HG LEU 50 8.466 2.944 5.237 379 HD11 LEU 50 HD11 LEU 50 9.148 1.630 3.245 380 HD12 LEU 50 HD12 LEU 50 8.123 0.773 4.410 381 HD13 LEU 50 HD13 LEU 50 9.850 0.417 4.374 382 HD21 LEU 50 HD21 LEU 50 9.198 2.296 7.418 383 HD22 LEU 50 HD22 LEU 50 10.290 1.060 6.779 384 HD23 LEU 50 HD23 LEU 50 8.530 0.858 6.668 385 HA PRO 51 HA PRO 51 10.846 5.639 9.618 386 HB2 PRO 51 HB2 PRO 51 8.562 5.083 11.026 387 HB3 PRO 51 HB3 PRO 51 8.748 6.528 10.000 388 HG2 PRO 51 HG2 PRO 51 7.376 3.939 9.316 389 HG3 PRO 51 HG3 PRO 51 6.794 5.612 9.035 390 HD2 PRO 51 HD2 PRO 51 8.030 4.127 7.085 391 HD3 PRO 51 HD3 PRO 51 8.214 5.896 7.182 392 H ALA 52 H ALA 52 11.672 4.437 11.341 393 HA ALA 52 HA ALA 52 12.255 1.767 11.081 394 HB1 ALA 52 HB1 ALA 52 12.039 3.343 13.660 395 HB2 ALA 52 HB2 ALA 52 12.983 1.863 13.417 396 HB3 ALA 52 HB3 ALA 52 13.438 3.346 12.548 397 H LYS 53 H LYS 53 9.168 2.853 11.897 398 HA LYS 53 HA LYS 53 8.303 0.723 13.632 399 HB2 LYS 53 HB2 LYS 53 6.799 2.842 12.110 400 HB3 LYS 53 HB3 LYS 53 6.043 1.710 13.187 401 HG2 LYS 53 HG2 LYS 53 6.340 3.163 14.812 402 HG3 LYS 53 HG3 LYS 53 8.061 2.625 14.798 403 HD2 LYS 53 HD2 LYS 53 8.722 4.264 13.384 404 HD3 LYS 53 HD3 LYS 53 7.067 4.737 12.928 405 HE2 LYS 53 HE2 LYS 53 8.233 5.122 15.704 406 HE3 LYS 53 HE3 LYS 53 8.163 6.395 14.465 407 HZ1 LYS 53 HZ1 LYS 53 5.804 5.042 15.649 408 HZ2 LYS 53 HZ2 LYS 53 5.730 6.144 14.459 409 HZ3 LYS 53 HZ3 LYS 53 6.299 6.583 15.919 410 H LEU 54 H LEU 54 7.344 1.937 10.445 411 HA LEU 54 HA LEU 54 5.897 -0.382 9.650 412 HB2 LEU 54 HB2 LEU 54 6.864 2.069 8.155 413 HB3 LEU 54 HB3 LEU 54 6.086 0.773 7.282 414 HG LEU 54 HG LEU 54 4.791 2.169 9.643 415 HD11 LEU 54 HD11 LEU 54 4.444 2.600 6.649 416 HD12 LEU 54 HD12 LEU 54 5.098 3.773 7.818 417 HD13 LEU 54 HD13 LEU 54 3.393 3.307 7.874 418 HD21 LEU 54 HD21 LEU 54 2.944 0.884 9.284 419 HD22 LEU 54 HD22 LEU 54 4.095 -0.282 8.642 420 HD23 LEU 54 HD23 LEU 54 3.195 0.737 7.536 421 H ARG 55 H ARG 55 9.217 -0.133 9.681 422 HA ARG 55 HA ARG 55 9.952 -1.507 7.328 423 HB2 ARG 55 HB2 ARG 55 12.150 -1.560 8.239 424 HB3 ARG 55 HB3 ARG 55 11.422 -0.032 8.675 425 HG2 ARG 55 HG2 ARG 55 12.059 -0.409 10.781 426 HG3 ARG 55 HG3 ARG 55 10.815 -1.653 10.889 427 HD2 ARG 55 HD2 ARG 55 12.676 -3.216 9.849 428 HD3 ARG 55 HD3 ARG 55 13.782 -1.942 10.279 429 HE ARG 55 HE ARG 55 12.257 -2.522 12.585 430 HH11 ARG 55 HH11 ARG 55 14.452 -4.236 10.387 431 HH12 ARG 55 HH12 ARG 55 14.886 -5.475 11.499 432 HH21 ARG 55 HH21 ARG 55 12.993 -4.089 14.180 433 HH22 ARG 55 HH22 ARG 55 13.924 -5.456 13.673 434 H HIS 56 H HIS 56 7.863 -2.848 8.878 435 HA HIS 56 HA HIS 56 8.624 -5.191 10.206 436 HB2 HIS 56 HB2 HIS 56 6.227 -4.173 9.574 437 HB3 HIS 56 HB3 HIS 56 6.293 -5.369 8.291 438 HD1 HIS 56 HD1 HIS 56 6.592 -8.065 9.347 439 HD2 HIS 56 HD2 HIS 56 5.268 -4.950 11.822 440 HE1 HIS 56 HE1 HIS 56 5.795 -9.156 11.458 441 H GLU 57 H GLU 57 8.723 -7.344 9.533 442 HA GLU 57 HA GLU 57 10.604 -8.302 7.982 443 HB2 GLU 57 HB2 GLU 57 7.840 -9.556 8.211 444 HB3 GLU 57 HB3 GLU 57 9.333 -10.413 7.821 445 HG2 GLU 57 HG2 GLU 57 10.216 -10.040 10.046 446 HG3 GLU 57 HG3 GLU 57 8.865 -8.971 10.463 447 H GLN 58 H GLN 58 7.321 -7.693 6.638 448 HA GLN 58 HA GLN 58 8.364 -7.516 3.937 449 HB2 GLN 58 HB2 GLN 58 5.993 -9.331 4.554 450 HB3 GLN 58 HB3 GLN 58 6.769 -9.024 2.998 451 HG2 GLN 58 HG2 GLN 58 8.804 -10.228 3.838 452 HG3 GLN 58 HG3 GLN 58 7.904 -10.622 5.308 453 HE21 GLN 58 HE21 GLN 58 9.024 -12.569 3.419 454 HE22 GLN 58 HE22 GLN 58 7.707 -13.421 2.677 455 H ILE 59 H ILE 59 7.066 -6.108 2.740 456 HA ILE 59 HA ILE 59 4.567 -5.186 3.987 457 HB ILE 59 HB ILE 59 5.132 -2.996 4.160 458 HG12 ILE 59 HG12 ILE 59 7.411 -3.432 2.211 459 HG13 ILE 59 HG13 ILE 59 5.886 -2.599 1.899 460 HG21 ILE 59 HG21 ILE 59 7.152 -2.675 5.439 461 HG22 ILE 59 HG22 ILE 59 6.540 -4.271 5.819 462 HG23 ILE 59 HG23 ILE 59 7.907 -4.104 4.713 463 HD11 ILE 59 HD11 ILE 59 7.555 -0.948 2.122 464 HD12 ILE 59 HD12 ILE 59 6.434 -0.863 3.495 465 HD13 ILE 59 HD13 ILE 59 8.064 -1.565 3.689 466 H ILE 60 H ILE 60 3.285 -3.984 2.414 467 HA ILE 60 HA ILE 60 3.974 -4.637 -0.457 468 HB ILE 60 HB ILE 60 1.267 -4.783 0.872 469 HG12 ILE 60 HG12 ILE 60 2.248 -7.235 -0.466 470 HG13 ILE 60 HG13 ILE 60 3.332 -6.763 0.816 471 HG21 ILE 60 HG21 ILE 60 0.521 -5.756 -1.310 472 HG22 ILE 60 HG22 ILE 60 1.001 -4.055 -1.431 473 HG23 ILE 60 HG23 ILE 60 2.096 -5.324 -2.014 474 HD11 ILE 60 HD11 ILE 60 0.348 -7.232 1.072 475 HD12 ILE 60 HD12 ILE 60 1.692 -8.202 1.720 476 HD13 ILE 60 HD13 ILE 60 1.386 -6.591 2.379 477 H PHE 61 H PHE 61 3.496 -3.033 -2.002 478 HA PHE 61 HA PHE 61 2.806 -0.361 -0.903 479 HB2 PHE 61 HB2 PHE 61 4.315 -1.094 -3.443 480 HB3 PHE 61 HB3 PHE 61 3.873 0.512 -2.946 481 HD1 PHE 61 HD1 PHE 61 4.655 0.596 -0.088 482 HD2 PHE 61 HD2 PHE 61 6.665 -1.260 -3.411 483 HE1 PHE 61 HE1 PHE 61 6.888 1.001 1.001 484 HE2 PHE 61 HE2 PHE 61 8.856 -0.739 -2.365 485 HZ PHE 61 HZ PHE 61 8.947 0.472 -0.222 486 H HIS 62 H HIS 62 1.071 0.741 -1.848 487 HA HIS 62 HA HIS 62 -0.438 -0.564 -4.063 488 HB2 HIS 62 HB2 HIS 62 -1.470 0.367 -1.380 489 HB3 HIS 62 HB3 HIS 62 -2.511 0.320 -2.793 490 HD1 HIS 62 HD1 HIS 62 -0.203 -2.637 -2.666 491 HD2 HIS 62 HD2 HIS 62 -4.036 -1.444 -1.329 492 HE1 HIS 62 HE1 HIS 62 -1.492 -4.767 -2.065 493 H CYS 63 H CYS 63 -2.219 1.101 -4.806 494 HA CYS 63 HA CYS 63 -1.371 3.862 -4.663 495 HB2 CYS 63 HB2 CYS 63 0.031 2.585 -6.478 496 HB3 CYS 63 HB3 CYS 63 -1.466 2.524 -7.398 497 HG CYS 63 HG CYS 63 0.469 4.972 -6.410 498 H GLN 64 H GLN 64 -2.947 5.176 -6.084 499 HA GLN 64 HA GLN 64 -5.601 4.596 -5.356 500 HB2 GLN 64 HB2 GLN 64 -6.237 6.517 -6.673 501 HB3 GLN 64 HB3 GLN 64 -4.775 6.865 -5.778 502 HG2 GLN 64 HG2 GLN 64 -3.832 5.964 -8.265 503 HG3 GLN 64 HG3 GLN 64 -5.257 6.899 -8.670 504 HE21 GLN 64 HE21 GLN 64 -5.205 9.189 -7.119 505 HE22 GLN 64 HE22 GLN 64 -3.752 10.038 -7.560 506 H ALA 65 H ALA 65 -3.937 4.006 -8.439 507 HA ALA 65 HA ALA 65 -6.016 2.093 -9.287 508 HB1 ALA 65 HB1 ALA 65 -5.176 4.485 -10.947 509 HB2 ALA 65 HB2 ALA 65 -6.281 3.177 -11.441 510 HB3 ALA 65 HB3 ALA 65 -6.753 4.277 -10.136 511 H GLY 66 H GLY 66 -3.163 1.927 -8.390 512 HA2 GLY 66 HA2 GLY 66 -1.230 0.812 -8.937 513 HA3 GLY 66 HA3 GLY 66 -2.175 0.064 -10.212 514 H LYS 67 H LYS 67 -1.963 3.521 -10.710 515 HA LYS 67 HA LYS 67 -0.156 2.937 -12.935 516 HB2 LYS 67 HB2 LYS 67 -2.240 4.190 -13.239 517 HB3 LYS 67 HB3 LYS 67 -1.562 5.561 -12.345 518 HG2 LYS 67 HG2 LYS 67 0.085 5.999 -13.986 519 HG3 LYS 67 HG3 LYS 67 0.013 4.349 -14.607 520 HD2 LYS 67 HD2 LYS 67 -2.376 4.862 -15.350 521 HD3 LYS 67 HD3 LYS 67 -1.973 6.584 -15.108 522 HE2 LYS 67 HE2 LYS 67 -0.180 6.430 -16.748 523 HE3 LYS 67 HE3 LYS 67 -0.208 4.663 -16.688 524 HZ1 LYS 67 HZ1 LYS 67 -2.233 6.394 -17.910 525 HZ2 LYS 67 HZ2 LYS 67 -2.431 4.746 -17.602 526 HZ3 LYS 67 HZ3 LYS 67 -1.251 5.229 -18.604 527 H ARG 68 H ARG 68 -0.004 5.124 -10.062 528 HA ARG 68 HA ARG 68 2.554 6.174 -10.885 529 HB2 ARG 68 HB2 ARG 68 0.682 6.936 -9.063 530 HB3 ARG 68 HB3 ARG 68 1.836 6.204 -7.975 531 HG2 ARG 68 HG2 ARG 68 2.324 8.475 -9.948 532 HG3 ARG 68 HG3 ARG 68 2.100 8.617 -8.216 533 HD2 ARG 68 HD2 ARG 68 4.312 8.588 -7.968 534 HD3 ARG 68 HD3 ARG 68 4.299 6.909 -8.358 535 HE ARG 68 HE ARG 68 5.097 7.386 -10.527 536 HH11 ARG 68 HH11 ARG 68 4.302 10.330 -8.729 537 HH12 ARG 68 HH12 ARG 68 4.963 11.412 -9.901 538 HH21 ARG 68 HH21 ARG 68 6.238 8.804 -11.943 539 HH22 ARG 68 HH22 ARG 68 6.181 10.549 -11.680 540 H THR 69 H THR 69 1.705 3.115 -9.354 541 HA THR 69 HA THR 69 4.181 2.590 -8.012 542 HB THR 69 HB THR 69 3.049 0.142 -8.556 543 HG1 THR 69 HG1 THR 69 1.460 0.772 -9.812 544 HG21 THR 69 HG21 THR 69 2.131 2.211 -6.523 545 HG22 THR 69 HG22 THR 69 3.310 0.907 -6.298 546 HG23 THR 69 HG23 THR 69 1.602 0.506 -6.514 547 H SER 70 H SER 70 5.546 0.683 -8.716 548 HA SER 70 HA SER 70 7.166 -0.068 -10.024 549 HB2 SER 70 HB2 SER 70 5.027 -1.188 -10.830 550 HB3 SER 70 HB3 SER 70 5.172 -0.183 -12.284 551 HG SER 70 HG SER 70 6.190 -2.444 -11.947 552 H ASN 71 H ASN 71 6.631 2.830 -9.976 553 HA ASN 71 HA ASN 71 7.878 3.794 -12.530 554 HB2 ASN 71 HB2 ASN 71 5.735 4.764 -11.561 555 HB3 ASN 71 HB3 ASN 71 6.710 5.420 -10.240 556 HD21 ASN 71 HD21 ASN 71 9.005 6.255 -12.125 557 HD22 ASN 71 HD22 ASN 71 8.330 7.562 -13.057 558 H ASN 72 H ASN 72 8.328 3.701 -9.019 559 HA ASN 72 HA ASN 72 11.141 4.698 -9.336 560 HB2 ASN 72 HB2 ASN 72 9.230 5.208 -7.027 561 HB3 ASN 72 HB3 ASN 72 10.931 5.637 -7.053 562 HD21 ASN 72 HD21 ASN 72 10.197 7.852 -6.546 563 HD22 ASN 72 HD22 ASN 72 9.580 8.840 -7.846 564 H ALA 73 H ALA 73 9.989 1.940 -9.403 565 HA ALA 73 HA ALA 73 10.186 0.423 -7.135 566 HB1 ALA 73 HB1 ALA 73 10.652 -1.435 -8.711 567 HB2 ALA 73 HB2 ALA 73 9.358 -0.387 -9.323 568 HB3 ALA 73 HB3 ALA 73 11.004 -0.267 -9.986 569 H ASP 74 H ASP 74 12.820 1.675 -9.161 570 HA ASP 74 HA ASP 74 14.842 -0.016 -8.078 571 HB2 ASP 74 HB2 ASP 74 14.888 1.597 -10.155 572 HB3 ASP 74 HB3 ASP 74 15.504 2.792 -9.001 573 H LYS 75 H LYS 75 13.894 3.292 -7.131 574 HA LYS 75 HA LYS 75 15.724 3.329 -4.859 575 HB2 LYS 75 HB2 LYS 75 13.308 5.159 -5.093 576 HB3 LYS 75 HB3 LYS 75 14.805 5.390 -4.211 577 HG2 LYS 75 HG2 LYS 75 14.980 6.849 -5.996 578 HG3 LYS 75 HG3 LYS 75 15.996 5.496 -6.485 579 HD2 LYS 75 HD2 LYS 75 14.726 5.125 -8.333 580 HD3 LYS 75 HD3 LYS 75 13.251 5.052 -7.365 581 HE2 LYS 75 HE2 LYS 75 13.097 6.784 -9.092 582 HE3 LYS 75 HE3 LYS 75 12.983 7.486 -7.483 583 HZ1 LYS 75 HZ1 LYS 75 15.551 7.469 -8.950 584 HZ2 LYS 75 HZ2 LYS 75 15.074 8.406 -7.675 585 HZ3 LYS 75 HZ3 LYS 75 14.441 8.653 -9.150 586 H LEU 76 H LEU 76 12.218 3.010 -5.301 587 HA LEU 76 HA LEU 76 11.395 2.680 -2.624 588 HB2 LEU 76 HB2 LEU 76 10.374 1.322 -5.149 589 HB3 LEU 76 HB3 LEU 76 9.590 1.099 -3.598 590 HG LEU 76 HG LEU 76 9.946 3.822 -4.911 591 HD11 LEU 76 HD11 LEU 76 7.529 1.952 -4.837 592 HD12 LEU 76 HD12 LEU 76 8.513 2.406 -6.272 593 HD13 LEU 76 HD13 LEU 76 7.520 3.619 -5.460 594 HD21 LEU 76 HD21 LEU 76 8.180 4.476 -3.268 595 HD22 LEU 76 HD22 LEU 76 9.618 3.911 -2.431 596 HD23 LEU 76 HD23 LEU 76 8.204 2.845 -2.579 597 H ALA 77 H ALA 77 12.560 0.069 -4.827 598 HA ALA 77 HA ALA 77 12.290 -2.064 -2.955 599 HB1 ALA 77 HB1 ALA 77 13.916 -3.237 -4.374 600 HB2 ALA 77 HB2 ALA 77 12.681 -2.436 -5.348 601 HB3 ALA 77 HB3 ALA 77 14.307 -1.716 -5.204 602 H ALA 78 H ALA 78 14.622 0.525 -2.974 603 HA ALA 78 HA ALA 78 16.467 -0.934 -1.191 604 HB1 ALA 78 HB1 ALA 78 17.445 0.299 -3.114 605 HB2 ALA 78 HB2 ALA 78 16.731 1.810 -2.506 606 HB3 ALA 78 HB3 ALA 78 17.953 0.970 -1.547 607 H ILE 79 H ILE 79 14.519 2.093 -1.292 608 HA ILE 79 HA ILE 79 15.154 3.102 1.219 609 HB ILE 79 HB ILE 79 12.435 3.221 -0.152 610 HG12 ILE 79 HG12 ILE 79 14.499 5.437 -0.129 611 HG13 ILE 79 HG13 ILE 79 14.465 4.261 -1.423 612 HG21 ILE 79 HG21 ILE 79 12.246 5.368 1.246 613 HG22 ILE 79 HG22 ILE 79 12.140 3.858 2.154 614 HG23 ILE 79 HG23 ILE 79 13.649 4.811 2.152 615 HD11 ILE 79 HD11 ILE 79 11.993 4.878 -1.783 616 HD12 ILE 79 HD12 ILE 79 12.279 6.268 -0.706 617 HD13 ILE 79 HD13 ILE 79 13.185 6.104 -2.212 618 H ALA 80 H ALA 80 12.453 0.815 0.464 619 HA ALA 80 HA ALA 80 11.762 0.591 3.269 620 HB1 ALA 80 HB1 ALA 80 10.284 -1.278 2.373 621 HB2 ALA 80 HB2 ALA 80 10.034 0.298 1.614 622 HB3 ALA 80 HB3 ALA 80 11.003 -0.936 0.776 623 H ALA 81 H ALA 81 14.155 -1.067 1.324 624 HA ALA 81 HA ALA 81 14.148 -3.505 2.856 625 HB1 ALA 81 HB1 ALA 81 16.341 -3.859 1.592 626 HB2 ALA 81 HB2 ALA 81 14.950 -3.502 0.568 627 HB3 ALA 81 HB3 ALA 81 16.148 -2.240 0.928 628 HA PRO 82 HA PRO 82 16.295 -4.973 3.311 629 HB2 PRO 82 HB2 PRO 82 17.353 -6.175 5.478 630 HB3 PRO 82 HB3 PRO 82 18.335 -5.162 4.377 631 HG2 PRO 82 HG2 PRO 82 17.063 -4.393 7.004 632 HG3 PRO 82 HG3 PRO 82 18.742 -4.116 6.476 633 HD2 PRO 82 HD2 PRO 82 16.719 -2.223 6.294 634 HD3 PRO 82 HD3 PRO 82 18.070 -2.301 5.127 635 H ALA 83 H ALA 83 14.295 -5.687 3.120 636 HA ALA 83 HA ALA 83 12.779 -7.143 4.906 637 HB1 ALA 83 HB1 ALA 83 11.721 -4.331 4.311 638 HB2 ALA 83 HB2 ALA 83 10.753 -5.655 4.987 639 HB3 ALA 83 HB3 ALA 83 12.079 -4.966 5.940 640 H GLU 84 H GLU 84 10.555 -7.496 3.610 641 HA GLU 84 HA GLU 84 11.272 -7.652 0.745 642 HB2 GLU 84 HB2 GLU 84 10.416 -9.563 2.255 643 HB3 GLU 84 HB3 GLU 84 8.853 -8.816 1.905 644 HG2 GLU 84 HG2 GLU 84 8.932 -9.347 -0.369 645 HG3 GLU 84 HG3 GLU 84 10.691 -9.410 -0.396 646 H ILE 85 H ILE 85 9.972 -6.704 -0.932 647 HA ILE 85 HA ILE 85 7.715 -5.033 -0.107 648 HB ILE 85 HB ILE 85 8.687 -3.500 -2.011 649 HG12 ILE 85 HG12 ILE 85 10.821 -5.034 -2.139 650 HG13 ILE 85 HG13 ILE 85 10.917 -3.292 -2.254 651 HG21 ILE 85 HG21 ILE 85 9.509 -3.284 0.890 652 HG22 ILE 85 HG22 ILE 85 9.635 -2.014 -0.373 653 HG23 ILE 85 HG23 ILE 85 8.081 -2.593 0.109 654 HD11 ILE 85 HD11 ILE 85 12.702 -4.298 -0.819 655 HD12 ILE 85 HD12 ILE 85 11.783 -3.024 -0.046 656 HD13 ILE 85 HD13 ILE 85 11.450 -4.714 0.359 657 H PHE 86 H PHE 86 6.048 -4.957 -1.592 658 HA PHE 86 HA PHE 86 6.234 -6.479 -4.119 659 HB2 PHE 86 HB2 PHE 86 4.153 -6.685 -1.893 660 HB3 PHE 86 HB3 PHE 86 3.897 -7.331 -3.502 661 HD1 PHE 86 HD1 PHE 86 5.612 -7.866 -0.302 662 HD2 PHE 86 HD2 PHE 86 5.129 -9.222 -4.372 663 HE1 PHE 86 HE1 PHE 86 6.665 -10.058 0.272 664 HE2 PHE 86 HE2 PHE 86 6.125 -11.419 -3.767 665 HZ PHE 86 HZ PHE 86 6.920 -11.816 -1.474 666 H LEU 87 H LEU 87 4.052 -6.141 -5.314 667 HA LEU 87 HA LEU 87 2.957 -3.396 -5.093 668 HB2 LEU 87 HB2 LEU 87 3.972 -4.854 -7.583 669 HB3 LEU 87 HB3 LEU 87 3.013 -3.376 -7.646 670 HG LEU 87 HG LEU 87 5.725 -3.533 -6.276 671 HD11 LEU 87 HD11 LEU 87 4.993 -2.690 -9.109 672 HD12 LEU 87 HD12 LEU 87 6.026 -4.044 -8.634 673 HD13 LEU 87 HD13 LEU 87 6.572 -2.386 -8.344 674 HD21 LEU 87 HD21 LEU 87 4.080 -1.183 -7.257 675 HD22 LEU 87 HD22 LEU 87 5.620 -1.114 -6.369 676 HD23 LEU 87 HD23 LEU 87 4.172 -1.702 -5.568 677 H LEU 88 H LEU 88 0.833 -3.272 -6.018 678 HA LEU 88 HA LEU 88 -0.605 -5.854 -6.024 679 HB2 LEU 88 HB2 LEU 88 -1.278 -4.031 -4.492 680 HB3 LEU 88 HB3 LEU 88 -1.542 -2.946 -5.845 681 HG LEU 88 HG LEU 88 -3.244 -4.885 -6.625 682 HD11 LEU 88 HD11 LEU 88 -3.514 -5.205 -3.606 683 HD12 LEU 88 HD12 LEU 88 -2.482 -6.301 -4.521 684 HD13 LEU 88 HD13 LEU 88 -4.202 -6.190 -4.897 685 HD21 LEU 88 HD21 LEU 88 -3.865 -2.578 -6.069 686 HD22 LEU 88 HD22 LEU 88 -3.738 -2.939 -4.357 687 HD23 LEU 88 HD23 LEU 88 -5.022 -3.700 -5.360 688 H GLU 89 H GLU 89 -1.718 -6.540 -8.047 689 HA GLU 89 HA GLU 89 -0.772 -5.256 -10.440 690 HB2 GLU 89 HB2 GLU 89 -1.926 -7.082 -11.495 691 HB3 GLU 89 HB3 GLU 89 -0.844 -7.663 -10.286 692 HG2 GLU 89 HG2 GLU 89 -2.774 -8.153 -8.809 693 HG3 GLU 89 HG3 GLU 89 -3.872 -7.449 -9.989 694 H ASP 90 H ASP 90 -2.953 -3.991 -8.488 695 HA ASP 90 HA ASP 90 -4.546 -2.773 -10.601 696 HB2 ASP 90 HB2 ASP 90 -5.663 -4.711 -8.548 697 HB3 ASP 90 HB3 ASP 90 -6.664 -3.380 -9.097 698 H GLY 91 H GLY 91 -6.402 -1.619 -8.575 699 HA2 GLY 91 HA2 GLY 91 -4.512 0.067 -6.984 700 HA3 GLY 91 HA3 GLY 91 -5.929 0.692 -7.853 701 H ILE 92 H ILE 92 -6.150 1.430 -5.438 702 HA ILE 92 HA ILE 92 -7.056 -0.396 -3.501 703 HB ILE 92 HB ILE 92 -6.200 1.884 -3.211 704 HG12 ILE 92 HG12 ILE 92 -7.516 0.393 -1.517 705 HG13 ILE 92 HG13 ILE 92 -6.976 2.006 -1.099 706 HG21 ILE 92 HG21 ILE 92 -7.492 3.150 -4.806 707 HG22 ILE 92 HG22 ILE 92 -8.988 2.821 -3.906 708 HG23 ILE 92 HG23 ILE 92 -7.709 3.817 -3.187 709 HD11 ILE 92 HD11 ILE 92 -9.807 1.260 -1.907 710 HD12 ILE 92 HD12 ILE 92 -9.213 1.551 -0.268 711 HD13 ILE 92 HD13 ILE 92 -9.245 2.882 -1.433 712 H ASP 93 H ASP 93 -8.661 0.895 -6.234 713 HA ASP 93 HA ASP 93 -11.411 0.553 -5.555 714 HB2 ASP 93 HB2 ASP 93 -10.954 1.677 -7.568 715 HB3 ASP 93 HB3 ASP 93 -9.796 0.449 -8.099 716 H GLY 94 H GLY 94 -8.943 -1.815 -6.679 717 HA2 GLY 94 HA2 GLY 94 -10.689 -4.044 -6.954 718 HA3 GLY 94 HA3 GLY 94 -8.922 -4.077 -6.787 719 H TRP 95 H TRP 95 -9.137 -2.588 -4.116 720 HA TRP 95 HA TRP 95 -9.146 -4.846 -2.373 721 HB2 TRP 95 HB2 TRP 95 -8.014 -2.570 -2.071 722 HB3 TRP 95 HB3 TRP 95 -9.560 -1.940 -1.566 723 HD1 TRP 95 HD1 TRP 95 -10.466 -2.677 0.825 724 HE1 TRP 95 HE1 TRP 95 -9.302 -3.512 2.905 725 HE3 TRP 95 HE3 TRP 95 -6.030 -4.156 -1.275 726 HZ2 TRP 95 HZ2 TRP 95 -6.903 -5.001 3.542 727 HZ3 TRP 95 HZ3 TRP 95 -4.306 -5.255 0.117 728 HH2 TRP 95 HH2 TRP 95 -4.741 -5.716 2.526 729 H LYS 96 H LYS 96 -11.448 -2.209 -2.936 730 HA LYS 96 HA LYS 96 -13.541 -3.164 -1.224 731 HB2 LYS 96 HB2 LYS 96 -13.514 -1.294 -3.629 732 HB3 LYS 96 HB3 LYS 96 -14.970 -1.605 -2.675 733 HG2 LYS 96 HG2 LYS 96 -14.013 -0.777 -0.675 734 HG3 LYS 96 HG3 LYS 96 -12.386 -0.654 -1.368 735 HD2 LYS 96 HD2 LYS 96 -14.771 0.923 -2.399 736 HD3 LYS 96 HD3 LYS 96 -13.654 1.526 -1.170 737 HE2 LYS 96 HE2 LYS 96 -11.735 1.195 -2.715 738 HE3 LYS 96 HE3 LYS 96 -12.852 0.642 -3.978 739 HZ1 LYS 96 HZ1 LYS 96 -13.919 2.787 -3.895 740 HZ2 LYS 96 HZ2 LYS 96 -12.297 2.999 -4.180 741 HZ3 LYS 96 HZ3 LYS 96 -12.926 3.278 -2.684 742 H LYS 97 H LYS 97 -13.013 -3.542 -4.791 743 HA LYS 97 HA LYS 97 -15.395 -5.020 -5.190 744 HB2 LYS 97 HB2 LYS 97 -13.671 -3.918 -6.845 745 HB3 LYS 97 HB3 LYS 97 -12.907 -5.500 -6.868 746 HG2 LYS 97 HG2 LYS 97 -15.880 -4.999 -7.416 747 HG3 LYS 97 HG3 LYS 97 -14.684 -4.886 -8.673 748 HD2 LYS 97 HD2 LYS 97 -15.424 -7.394 -7.129 749 HD3 LYS 97 HD3 LYS 97 -15.815 -7.026 -8.790 750 HE2 LYS 97 HE2 LYS 97 -12.971 -7.372 -7.744 751 HE3 LYS 97 HE3 LYS 97 -13.917 -8.637 -8.525 752 HZ1 LYS 97 HZ1 LYS 97 -14.062 -7.173 -10.493 753 HZ2 LYS 97 HZ2 LYS 97 -12.510 -7.609 -10.125 754 HZ3 LYS 97 HZ3 LYS 97 -13.050 -6.105 -9.757 755 H ALA 98 H ALA 98 -12.190 -6.077 -3.992 756 HA ALA 98 HA ALA 98 -12.676 -8.888 -4.144 757 HB1 ALA 98 HB1 ALA 98 -10.785 -9.079 -2.660 758 HB2 ALA 98 HB2 ALA 98 -10.426 -7.727 -3.753 759 HB3 ALA 98 HB3 ALA 98 -10.977 -7.409 -2.104 760 H GLY 99 H GLY 99 -14.060 -6.476 -2.105 761 HA2 GLY 99 HA2 GLY 99 -15.800 -6.754 -0.604 762 HA3 GLY 99 HA3 GLY 99 -15.399 -8.457 -0.394 763 H LEU 100 H LEU 100 -12.557 -6.553 -0.203 764 HA LEU 100 HA LEU 100 -12.308 -7.101 2.641 765 HB2 LEU 100 HB2 LEU 100 -10.560 -5.511 0.755 766 HB3 LEU 100 HB3 LEU 100 -10.103 -5.957 2.378 767 HG LEU 100 HG LEU 100 -10.712 -8.026 0.221 768 HD11 LEU 100 HD11 LEU 100 -8.824 -6.696 -0.496 769 HD12 LEU 100 HD12 LEU 100 -8.239 -8.274 0.074 770 HD13 LEU 100 HD13 LEU 100 -8.073 -6.834 1.096 771 HD21 LEU 100 HD21 LEU 100 -9.630 -8.153 3.064 772 HD22 LEU 100 HD22 LEU 100 -9.322 -9.438 1.885 773 HD23 LEU 100 HD23 LEU 100 -10.982 -9.016 2.349 774 HA PRO 101 HA PRO 101 -14.010 -3.265 3.958 775 HB2 PRO 101 HB2 PRO 101 -12.803 -2.810 6.379 776 HB3 PRO 101 HB3 PRO 101 -13.954 -4.147 6.082 777 HG2 PRO 101 HG2 PRO 101 -10.940 -4.251 6.109 778 HG3 PRO 101 HG3 PRO 101 -12.091 -5.390 6.860 779 HD2 PRO 101 HD2 PRO 101 -10.903 -5.834 4.369 780 HD3 PRO 101 HD3 PRO 101 -12.543 -6.444 4.818 781 H VAL 102 H VAL 102 -13.636 -0.982 4.371 782 HA VAL 102 HA VAL 102 -10.964 0.098 3.827 783 HB VAL 102 HB VAL 102 -12.267 1.800 2.343 784 HG11 VAL 102 HG11 VAL 102 -11.465 -0.790 1.064 785 HG12 VAL 102 HG12 VAL 102 -11.521 0.847 0.350 786 HG13 VAL 102 HG13 VAL 102 -10.337 0.475 1.606 787 HG21 VAL 102 HG21 VAL 102 -14.463 0.572 2.659 788 HG22 VAL 102 HG22 VAL 102 -14.028 0.989 0.997 789 HG23 VAL 102 HG23 VAL 102 -13.837 -0.679 1.603 790 H ALA 103 H ALA 103 -10.894 2.290 4.361 791 HA ALA 103 HA ALA 103 -12.503 3.065 6.694 792 HB1 ALA 103 HB1 ALA 103 -10.029 4.334 5.417 793 HB2 ALA 103 HB2 ALA 103 -10.702 4.711 7.009 794 HB3 ALA 103 HB3 ALA 103 -10.001 3.124 6.719 795 H VAL 104 H VAL 104 -14.241 3.061 4.773 796 HA VAL 104 HA VAL 104 -14.401 5.695 3.395 797 HB VAL 104 HB VAL 104 -16.355 4.631 2.207 798 HG11 VAL 104 HG11 VAL 104 -14.989 3.160 0.749 799 HG12 VAL 104 HG12 VAL 104 -14.336 4.764 1.038 800 HG13 VAL 104 HG13 VAL 104 -13.634 3.376 1.890 801 HG21 VAL 104 HG21 VAL 104 -15.484 2.126 3.697 802 HG22 VAL 104 HG22 VAL 104 -17.040 2.931 3.759 803 HG23 VAL 104 HG23 VAL 104 -16.538 2.139 2.263 804 H ASN 105 H ASN 105 -16.838 6.399 3.286 805 HA ASN 105 HA ASN 105 -17.890 6.464 6.089 806 HB2 ASN 105 HB2 ASN 105 -18.221 8.410 3.769 807 HB3 ASN 105 HB3 ASN 105 -19.052 8.531 5.326 808 HD21 ASN 105 HD21 ASN 105 -17.798 9.033 7.263 809 HD22 ASN 105 HD22 ASN 105 -16.239 9.793 7.115 810 H LYS 106 H LYS 106 -18.588 5.230 2.879 811 HA LYS 106 HA LYS 106 -21.238 4.316 3.776 812 HB2 LYS 106 HB2 LYS 106 -20.684 5.721 1.127 813 HB3 LYS 106 HB3 LYS 106 -22.132 4.773 1.462 814 HG2 LYS 106 HG2 LYS 106 -22.826 6.257 3.239 815 HG3 LYS 106 HG3 LYS 106 -21.334 7.195 3.108 816 HD2 LYS 106 HD2 LYS 106 -23.481 6.972 0.968 817 HD3 LYS 106 HD3 LYS 106 -23.222 8.323 2.040 818 HE2 LYS 106 HE2 LYS 106 -21.465 7.402 -0.235 819 HE3 LYS 106 HE3 LYS 106 -22.251 8.968 -0.007 820 HZ1 LYS 106 HZ1 LYS 106 -20.023 9.306 0.506 821 HZ2 LYS 106 HZ2 LYS 106 -19.851 7.917 1.338 822 HZ3 LYS 106 HZ3 LYS 106 -20.693 9.191 1.992 823 H SER 107 H SER 107 -21.881 2.412 2.593 824 HA SER 107 HA SER 107 -19.723 1.084 1.034 825 HB2 SER 107 HB2 SER 107 -20.275 -0.936 2.212 826 HB3 SER 107 HB3 SER 107 -19.812 0.311 3.367 827 HG SER 107 HG SER 107 -21.575 -0.621 4.184 828 H GLN 108 H GLN 108 -21.254 -1.225 0.393 829 HA GLN 108 HA GLN 108 -23.750 -0.367 -0.800 830 HB2 GLN 108 HB2 GLN 108 -23.029 -0.940 -3.124 831 HB3 GLN 108 HB3 GLN 108 -22.307 0.524 -2.491 832 HG2 GLN 108 HG2 GLN 108 -20.187 -0.682 -2.036 833 HG3 GLN 108 HG3 GLN 108 -20.908 -2.177 -2.647 834 HE21 GLN 108 HE21 GLN 108 -20.596 -2.549 -4.827 835 HE22 GLN 108 HE22 GLN 108 -20.215 -1.311 -6.034 Start of MODEL 18 1 H ALA 1 H ALA 1 14.411 -9.452 -6.883 2 HA ALA 1 HA ALA 1 13.276 -7.888 -5.303 3 HB1 ALA 1 HB1 ALA 1 14.810 -7.103 -7.189 4 HB2 ALA 1 HB2 ALA 1 13.335 -6.786 -8.137 5 HB3 ALA 1 HB3 ALA 1 13.623 -5.922 -6.621 6 H LEU 2 H LEU 2 11.596 -5.903 -6.060 7 HA LEU 2 HA LEU 2 9.110 -6.446 -5.371 8 HB2 LEU 2 HB2 LEU 2 10.157 -4.536 -7.454 9 HB3 LEU 2 HB3 LEU 2 8.426 -4.603 -7.172 10 HG LEU 2 HG LEU 2 10.463 -4.075 -4.972 11 HD11 LEU 2 HD11 LEU 2 10.507 -2.302 -6.657 12 HD12 LEU 2 HD12 LEU 2 9.768 -1.711 -5.166 13 HD13 LEU 2 HD13 LEU 2 8.745 -2.126 -6.570 14 HD21 LEU 2 HD21 LEU 2 8.372 -4.880 -4.058 15 HD22 LEU 2 HD22 LEU 2 7.427 -3.825 -5.111 16 HD23 LEU 2 HD23 LEU 2 8.421 -3.116 -3.848 17 H THR 3 H THR 3 7.783 -8.025 -5.808 18 HA THR 3 HA THR 3 7.111 -8.870 -8.581 19 HB THR 3 HB THR 3 6.978 -10.294 -5.874 20 HG1 THR 3 HG1 THR 3 9.044 -10.021 -6.381 21 HG21 THR 3 HG21 THR 3 5.382 -11.315 -7.343 22 HG22 THR 3 HG22 THR 3 6.773 -12.379 -7.191 23 HG23 THR 3 HG23 THR 3 6.575 -11.407 -8.672 24 H THR 4 H THR 4 4.726 -9.230 -8.990 25 HA THR 4 HA THR 4 3.090 -7.552 -7.236 26 HB THR 4 HB THR 4 1.411 -7.897 -9.123 27 HG1 THR 4 HG1 THR 4 1.972 -9.372 -10.427 28 HG21 THR 4 HG21 THR 4 2.569 -6.338 -10.714 29 HG22 THR 4 HG22 THR 4 4.033 -6.476 -9.720 30 HG23 THR 4 HG23 THR 4 2.521 -5.797 -9.044 31 H ILE 5 H ILE 5 1.102 -8.403 -6.297 32 HA ILE 5 HA ILE 5 0.835 -11.344 -6.421 33 HB ILE 5 HB ILE 5 0.446 -11.671 -4.204 34 HG12 ILE 5 HG12 ILE 5 -0.915 -9.825 -3.529 35 HG13 ILE 5 HG13 ILE 5 0.395 -10.070 -2.398 36 HG21 ILE 5 HG21 ILE 5 2.881 -9.856 -4.348 37 HG22 ILE 5 HG22 ILE 5 2.532 -11.049 -3.082 38 HG23 ILE 5 HG23 ILE 5 2.803 -11.582 -4.745 39 HD11 ILE 5 HD11 ILE 5 0.204 -7.899 -4.511 40 HD12 ILE 5 HD12 ILE 5 0.076 -7.702 -2.757 41 HD13 ILE 5 HD13 ILE 5 1.633 -8.153 -3.474 42 H SER 6 H SER 6 -1.310 -12.105 -6.003 43 HA SER 6 HA SER 6 -3.214 -10.684 -7.534 44 HB2 SER 6 HB2 SER 6 -3.637 -12.991 -5.585 45 HB3 SER 6 HB3 SER 6 -4.777 -12.466 -6.832 46 HG SER 6 HG SER 6 -2.116 -13.407 -7.284 47 HA PRO 7 HA PRO 7 -5.002 -7.793 -4.815 48 HB2 PRO 7 HB2 PRO 7 -7.774 -8.069 -5.282 49 HB3 PRO 7 HB3 PRO 7 -6.607 -7.047 -6.158 50 HG2 PRO 7 HG2 PRO 7 -7.613 -9.789 -6.857 51 HG3 PRO 7 HG3 PRO 7 -7.269 -8.419 -7.955 52 HD2 PRO 7 HD2 PRO 7 -5.552 -10.494 -7.705 53 HD3 PRO 7 HD3 PRO 7 -4.939 -8.826 -7.879 54 H HIS 8 H HIS 8 -6.913 -10.883 -4.563 55 HA HIS 8 HA HIS 8 -7.662 -10.253 -1.841 56 HB2 HIS 8 HB2 HIS 8 -8.785 -11.792 -3.629 57 HB3 HIS 8 HB3 HIS 8 -7.683 -13.027 -3.035 58 HD1 HIS 8 HD1 HIS 8 -10.866 -11.197 -2.144 59 HD2 HIS 8 HD2 HIS 8 -8.118 -13.930 -0.479 60 HE1 HIS 8 HE1 HIS 8 -11.935 -12.105 -0.006 61 H ASP 9 H ASP 9 -4.821 -11.737 -3.255 62 HA ASP 9 HA ASP 9 -4.040 -13.296 -0.942 63 HB2 ASP 9 HB2 ASP 9 -2.813 -12.533 -3.570 64 HB3 ASP 9 HB3 ASP 9 -1.705 -12.911 -2.264 65 H ALA 10 H ALA 10 -3.459 -9.976 -2.026 66 HA ALA 10 HA ALA 10 -1.294 -9.323 -0.362 67 HB1 ALA 10 HB1 ALA 10 -2.184 -7.846 -2.123 68 HB2 ALA 10 HB2 ALA 10 -3.655 -7.568 -1.165 69 HB3 ALA 10 HB3 ALA 10 -2.080 -6.991 -0.568 70 H GLN 11 H GLN 11 -4.786 -9.290 0.423 71 HA GLN 11 HA GLN 11 -4.603 -8.143 2.971 72 HB2 GLN 11 HB2 GLN 11 -6.642 -8.805 1.421 73 HB3 GLN 11 HB3 GLN 11 -6.704 -10.231 2.431 74 HG2 GLN 11 HG2 GLN 11 -6.388 -7.713 4.004 75 HG3 GLN 11 HG3 GLN 11 -7.789 -7.699 2.963 76 HE21 GLN 11 HE21 GLN 11 -9.414 -7.894 4.512 77 HE22 GLN 11 HE22 GLN 11 -9.587 -9.279 5.567 78 H GLU 12 H GLU 12 -4.486 -11.560 2.007 79 HA GLU 12 HA GLU 12 -4.310 -12.738 4.553 80 HB2 GLU 12 HB2 GLU 12 -4.637 -13.912 2.339 81 HB3 GLU 12 HB3 GLU 12 -2.943 -13.677 1.998 82 HG2 GLU 12 HG2 GLU 12 -3.399 -15.923 2.823 83 HG3 GLU 12 HG3 GLU 12 -2.266 -15.067 3.852 84 H LEU 13 H LEU 13 -1.708 -11.402 2.481 85 HA LEU 13 HA LEU 13 0.433 -12.397 4.122 86 HB2 LEU 13 HB2 LEU 13 0.367 -9.863 2.459 87 HB3 LEU 13 HB3 LEU 13 1.814 -10.605 3.115 88 HG LEU 13 HG LEU 13 0.029 -11.950 1.052 89 HD11 LEU 13 HD11 LEU 13 1.134 -9.969 0.117 90 HD12 LEU 13 HD12 LEU 13 1.849 -11.448 -0.538 91 HD13 LEU 13 HD13 LEU 13 2.709 -10.536 0.720 92 HD21 LEU 13 HD21 LEU 13 1.257 -13.591 2.413 93 HD22 LEU 13 HD22 LEU 13 2.776 -12.705 2.151 94 HD23 LEU 13 HD23 LEU 13 1.951 -13.502 0.792 95 H ILE 14 H ILE 14 -1.313 -9.263 4.105 96 HA ILE 14 HA ILE 14 0.060 -8.145 6.311 97 HB ILE 14 HB ILE 14 -2.777 -7.601 5.399 98 HG12 ILE 14 HG12 ILE 14 -0.542 -5.713 4.684 99 HG13 ILE 14 HG13 ILE 14 -0.504 -7.233 3.840 100 HG21 ILE 14 HG21 ILE 14 -2.238 -5.303 6.366 101 HG22 ILE 14 HG22 ILE 14 -2.471 -6.598 7.558 102 HG23 ILE 14 HG23 ILE 14 -0.834 -6.028 7.127 103 HD11 ILE 14 HD11 ILE 14 -2.875 -5.329 3.916 104 HD12 ILE 14 HD12 ILE 14 -1.819 -5.681 2.525 105 HD13 ILE 14 HD13 ILE 14 -2.886 -6.931 3.158 106 H ALA 15 H ALA 15 -2.875 -10.190 6.205 107 HA ALA 15 HA ALA 15 -3.448 -10.078 8.980 108 HB1 ALA 15 HB1 ALA 15 -4.814 -12.079 8.539 109 HB2 ALA 15 HB2 ALA 15 -5.032 -10.888 7.238 110 HB3 ALA 15 HB3 ALA 15 -4.002 -12.313 6.979 111 H ARG 16 H ARG 16 -1.327 -12.283 7.101 112 HA ARG 16 HA ARG 16 -0.749 -13.983 9.383 113 HB2 ARG 16 HB2 ARG 16 0.661 -13.655 6.690 114 HB3 ARG 16 HB3 ARG 16 1.116 -14.812 7.926 115 HG2 ARG 16 HG2 ARG 16 -1.085 -15.919 7.756 116 HG3 ARG 16 HG3 ARG 16 -1.638 -14.726 6.590 117 HD2 ARG 16 HD2 ARG 16 0.163 -15.278 5.043 118 HD3 ARG 16 HD3 ARG 16 0.892 -16.368 6.213 119 HE ARG 16 HE ARG 16 -1.404 -16.787 4.460 120 HH11 ARG 16 HH11 ARG 16 -0.038 -17.987 7.530 121 HH12 ARG 16 HH12 ARG 16 -0.679 -19.565 7.370 122 HH21 ARG 16 HH21 ARG 16 -2.231 -18.811 4.189 123 HH22 ARG 16 HH22 ARG 16 -2.228 -19.996 5.459 124 H GLY 17 H GLY 17 1.042 -11.319 7.769 125 HA2 GLY 17 HA2 GLY 17 2.217 -10.328 10.119 126 HA3 GLY 17 HA3 GLY 17 3.318 -11.565 9.529 127 H ALA 18 H ALA 18 1.427 -9.383 7.342 128 HA ALA 18 HA ALA 18 4.032 -8.135 6.593 129 HB1 ALA 18 HB1 ALA 18 3.302 -7.976 4.333 130 HB2 ALA 18 HB2 ALA 18 3.078 -9.657 4.837 131 HB3 ALA 18 HB3 ALA 18 1.685 -8.556 4.715 132 H LYS 19 H LYS 19 3.359 -6.028 5.245 133 HA LYS 19 HA LYS 19 1.389 -4.444 6.820 134 HB2 LYS 19 HB2 LYS 19 4.281 -4.186 6.791 135 HB3 LYS 19 HB3 LYS 19 3.618 -2.768 6.015 136 HG2 LYS 19 HG2 LYS 19 2.792 -3.793 8.762 137 HG3 LYS 19 HG3 LYS 19 4.019 -2.544 8.458 138 HD2 LYS 19 HD2 LYS 19 2.355 -1.082 7.419 139 HD3 LYS 19 HD3 LYS 19 1.144 -2.302 7.486 140 HE2 LYS 19 HE2 LYS 19 0.953 -0.521 9.268 141 HE3 LYS 19 HE3 LYS 19 0.864 -2.210 9.794 142 HZ1 LYS 19 HZ1 LYS 19 2.233 -1.407 11.310 143 HZ2 LYS 19 HZ2 LYS 19 2.866 -0.217 10.412 144 HZ3 LYS 19 HZ3 LYS 19 3.406 -1.762 10.231 145 H LEU 20 H LEU 20 0.578 -2.576 5.646 146 HA LEU 20 HA LEU 20 0.887 -2.780 2.687 147 HB2 LEU 20 HB2 LEU 20 -1.327 -3.534 3.799 148 HB3 LEU 20 HB3 LEU 20 -1.600 -1.876 4.159 149 HG LEU 20 HG LEU 20 -1.607 -1.251 1.814 150 HD11 LEU 20 HD11 LEU 20 -0.064 -2.708 0.724 151 HD12 LEU 20 HD12 LEU 20 -1.645 -2.991 0.012 152 HD13 LEU 20 HD13 LEU 20 -0.990 -4.151 1.181 153 HD21 LEU 20 HD21 LEU 20 -3.724 -2.058 2.878 154 HD22 LEU 20 HD22 LEU 20 -3.368 -3.696 2.305 155 HD23 LEU 20 HD23 LEU 20 -3.689 -2.404 1.148 156 H ILE 21 H ILE 21 1.875 -1.019 1.883 157 HA ILE 21 HA ILE 21 1.672 1.552 3.391 158 HB ILE 21 HB ILE 21 3.947 0.170 1.951 159 HG12 ILE 21 HG12 ILE 21 5.260 1.038 3.834 160 HG13 ILE 21 HG13 ILE 21 3.868 1.903 4.467 161 HG21 ILE 21 HG21 ILE 21 5.209 2.335 1.916 162 HG22 ILE 21 HG22 ILE 21 3.905 2.244 0.749 163 HG23 ILE 21 HG23 ILE 21 3.667 3.186 2.201 164 HD11 ILE 21 HD11 ILE 21 2.812 -0.096 5.175 165 HD12 ILE 21 HD12 ILE 21 3.855 -1.112 4.144 166 HD13 ILE 21 HD13 ILE 21 4.526 -0.320 5.580 167 H ASP 22 H ASP 22 0.632 3.158 2.429 168 HA ASP 22 HA ASP 22 -0.076 2.925 -0.448 169 HB2 ASP 22 HB2 ASP 22 -1.879 3.272 1.370 170 HB3 ASP 22 HB3 ASP 22 -1.256 4.919 1.492 171 H ILE 23 H ILE 23 1.138 4.078 -1.754 172 HA ILE 23 HA ILE 23 2.821 6.227 -0.643 173 HB ILE 23 HB ILE 23 4.327 5.804 -2.427 174 HG12 ILE 23 HG12 ILE 23 2.260 3.801 -3.442 175 HG13 ILE 23 HG13 ILE 23 2.807 5.274 -4.246 176 HG21 ILE 23 HG21 ILE 23 3.492 3.102 -1.293 177 HG22 ILE 23 HG22 ILE 23 5.113 3.612 -1.778 178 HG23 ILE 23 HG23 ILE 23 4.351 4.350 -0.361 179 HD11 ILE 23 HD11 ILE 23 3.894 3.527 -5.358 180 HD12 ILE 23 HD12 ILE 23 5.148 4.183 -4.302 181 HD13 ILE 23 HD13 ILE 23 4.321 2.670 -3.865 182 H ARG 24 H ARG 24 -0.161 6.348 -1.822 183 HA ARG 24 HA ARG 24 0.090 8.089 -4.112 184 HB2 ARG 24 HB2 ARG 24 -2.224 7.627 -2.200 185 HB3 ARG 24 HB3 ARG 24 -2.316 8.557 -3.699 186 HG2 ARG 24 HG2 ARG 24 -1.772 6.619 -5.046 187 HG3 ARG 24 HG3 ARG 24 -1.505 5.614 -3.626 188 HD2 ARG 24 HD2 ARG 24 -4.134 6.947 -4.371 189 HD3 ARG 24 HD3 ARG 24 -3.724 5.242 -4.632 190 HE ARG 24 HE ARG 24 -3.308 5.329 -2.056 191 HH11 ARG 24 HH11 ARG 24 -6.062 7.017 -3.543 192 HH12 ARG 24 HH12 ARG 24 -7.279 6.032 -2.770 193 HH21 ARG 24 HH21 ARG 24 -4.900 4.121 -0.968 194 HH22 ARG 24 HH22 ARG 24 -6.597 4.468 -1.102 195 H ASP 25 H ASP 25 -1.718 9.437 -1.290 196 HA ASP 25 HA ASP 25 0.350 11.405 -0.779 197 HB2 ASP 25 HB2 ASP 25 -2.098 12.099 -2.407 198 HB3 ASP 25 HB3 ASP 25 -1.509 13.247 -1.203 199 H ALA 26 H ALA 26 -0.130 12.682 1.040 200 HA ALA 26 HA ALA 26 -1.226 11.310 3.180 201 HB1 ALA 26 HB1 ALA 26 0.563 13.043 3.254 202 HB2 ALA 26 HB2 ALA 26 -0.668 14.295 2.988 203 HB3 ALA 26 HB3 ALA 26 -0.702 13.290 4.451 204 H ASP 27 H ASP 27 -2.681 14.325 1.823 205 HA ASP 27 HA ASP 27 -4.983 14.293 3.518 206 HB2 ASP 27 HB2 ASP 27 -4.420 15.514 0.800 207 HB3 ASP 27 HB3 ASP 27 -5.980 15.691 1.596 208 H GLU 28 H GLU 28 -4.397 12.628 0.437 209 HA GLU 28 HA GLU 28 -7.139 11.968 -0.078 210 HB2 GLU 28 HB2 GLU 28 -4.429 11.023 -1.023 211 HB3 GLU 28 HB3 GLU 28 -5.849 10.074 -1.443 212 HG2 GLU 28 HG2 GLU 28 -5.778 13.077 -1.942 213 HG3 GLU 28 HG3 GLU 28 -5.071 11.938 -3.078 214 H TYR 29 H TYR 29 -4.729 10.711 2.133 215 HA TYR 29 HA TYR 29 -6.143 8.187 2.590 216 HB2 TYR 29 HB2 TYR 29 -3.458 9.071 2.699 217 HB3 TYR 29 HB3 TYR 29 -3.923 8.938 4.379 218 HD1 TYR 29 HD1 TYR 29 -3.568 6.734 5.333 219 HD2 TYR 29 HD2 TYR 29 -4.434 7.148 1.124 220 HE1 TYR 29 HE1 TYR 29 -3.502 4.265 5.061 221 HE2 TYR 29 HE2 TYR 29 -4.491 4.710 0.903 222 HH TYR 29 HH TYR 29 -4.372 2.693 1.978 223 H LEU 30 H LEU 30 -6.327 11.345 3.723 224 HA LEU 30 HA LEU 30 -6.935 10.847 6.521 225 HB2 LEU 30 HB2 LEU 30 -6.117 13.025 5.379 226 HB3 LEU 30 HB3 LEU 30 -7.756 13.190 4.767 227 HG LEU 30 HG LEU 30 -8.530 13.073 7.253 228 HD11 LEU 30 HD11 LEU 30 -5.579 13.755 7.625 229 HD12 LEU 30 HD12 LEU 30 -6.346 12.257 8.164 230 HD13 LEU 30 HD13 LEU 30 -6.831 13.805 8.884 231 HD21 LEU 30 HD21 LEU 30 -7.925 15.528 7.516 232 HD22 LEU 30 HD22 LEU 30 -8.707 15.081 5.995 233 HD23 LEU 30 HD23 LEU 30 -6.965 15.356 6.013 234 H ARG 31 H ARG 31 -8.782 11.321 3.576 235 HA ARG 31 HA ARG 31 -11.410 11.486 4.708 236 HB2 ARG 31 HB2 ARG 31 -10.438 10.857 1.930 237 HB3 ARG 31 HB3 ARG 31 -12.150 10.983 2.372 238 HG2 ARG 31 HG2 ARG 31 -11.760 13.235 3.270 239 HG3 ARG 31 HG3 ARG 31 -10.074 13.199 2.735 240 HD2 ARG 31 HD2 ARG 31 -12.238 12.596 0.745 241 HD3 ARG 31 HD3 ARG 31 -12.095 14.248 1.298 242 HE ARG 31 HE ARG 31 -10.091 12.677 -0.208 243 HH11 ARG 31 HH11 ARG 31 -10.930 15.918 1.154 244 HH12 ARG 31 HH12 ARG 31 -9.509 16.642 0.496 245 HH21 ARG 31 HH21 ARG 31 -8.569 13.863 -1.512 246 HH22 ARG 31 HH22 ARG 31 -8.373 15.567 -1.248 247 H GLU 32 H GLU 32 -10.275 8.811 2.613 248 HA GLU 32 HA GLU 32 -11.571 6.826 4.377 249 HB2 GLU 32 HB2 GLU 32 -12.676 5.898 2.314 250 HB3 GLU 32 HB3 GLU 32 -13.317 7.416 2.935 251 HG2 GLU 32 HG2 GLU 32 -11.861 8.583 1.097 252 HG3 GLU 32 HG3 GLU 32 -11.648 6.970 0.461 253 H HIS 33 H HIS 33 -10.004 5.310 4.768 254 HA HIS 33 HA HIS 33 -8.383 4.469 2.460 255 HB2 HIS 33 HB2 HIS 33 -6.386 4.665 3.398 256 HB3 HIS 33 HB3 HIS 33 -7.135 6.163 3.824 257 HD1 HIS 33 HD1 HIS 33 -5.720 2.936 5.488 258 HD2 HIS 33 HD2 HIS 33 -7.430 6.664 6.509 259 HE1 HIS 33 HE1 HIS 33 -5.121 3.332 7.869 260 H ILE 34 H ILE 34 -6.836 2.524 3.491 261 HA ILE 34 HA ILE 34 -8.823 0.433 4.024 262 HB ILE 34 HB ILE 34 -5.901 0.247 3.187 263 HG12 ILE 34 HG12 ILE 34 -8.492 -0.187 1.599 264 HG13 ILE 34 HG13 ILE 34 -7.457 1.244 1.482 265 HG21 ILE 34 HG21 ILE 34 -6.337 -2.139 2.816 266 HG22 ILE 34 HG22 ILE 34 -6.669 -1.757 4.483 267 HG23 ILE 34 HG23 ILE 34 -8.022 -1.947 3.365 268 HD11 ILE 34 HD11 ILE 34 -6.613 -1.539 0.744 269 HD12 ILE 34 HD12 ILE 34 -6.938 -0.180 -0.353 270 HD13 ILE 34 HD13 ILE 34 -5.574 -0.138 0.798 271 HA PRO 35 HA PRO 35 -7.559 0.431 8.307 272 HB2 PRO 35 HB2 PRO 35 -8.506 -2.069 9.062 273 HB3 PRO 35 HB3 PRO 35 -9.525 -0.605 8.866 274 HG2 PRO 35 HG2 PRO 35 -9.042 -2.863 6.901 275 HG3 PRO 35 HG3 PRO 35 -10.601 -2.067 7.317 276 HD2 PRO 35 HD2 PRO 35 -9.191 -1.464 5.102 277 HD3 PRO 35 HD3 PRO 35 -10.020 -0.171 5.968 278 H GLU 36 H GLU 36 -6.708 -2.247 6.245 279 HA GLU 36 HA GLU 36 -4.772 -3.451 7.960 280 HB2 GLU 36 HB2 GLU 36 -5.191 -3.779 4.992 281 HB3 GLU 36 HB3 GLU 36 -4.203 -4.812 5.992 282 HG2 GLU 36 HG2 GLU 36 -7.143 -4.347 6.398 283 HG3 GLU 36 HG3 GLU 36 -6.424 -5.775 5.643 284 H ALA 37 H ALA 37 -4.585 -0.467 6.406 285 HA ALA 37 HA ALA 37 -1.653 -0.647 5.937 286 HB1 ALA 37 HB1 ALA 37 -3.189 -0.195 3.931 287 HB2 ALA 37 HB2 ALA 37 -3.675 1.293 4.756 288 HB3 ALA 37 HB3 ALA 37 -1.985 1.053 4.246 289 H ASP 38 H ASP 38 -0.625 1.501 6.072 290 HA ASP 38 HA ASP 38 -1.579 2.978 8.546 291 HB2 ASP 38 HB2 ASP 38 0.520 1.637 8.817 292 HB3 ASP 38 HB3 ASP 38 1.274 2.727 7.664 293 H LEU 39 H LEU 39 1.072 4.183 6.555 294 HA LEU 39 HA LEU 39 -0.110 5.737 4.604 295 HB2 LEU 39 HB2 LEU 39 -1.352 7.013 6.313 296 HB3 LEU 39 HB3 LEU 39 0.132 7.234 7.238 297 HG LEU 39 HG LEU 39 1.052 8.654 5.440 298 HD11 LEU 39 HD11 LEU 39 -0.077 7.655 3.457 299 HD12 LEU 39 HD12 LEU 39 -0.401 9.381 3.561 300 HD13 LEU 39 HD13 LEU 39 -1.627 8.219 4.078 301 HD21 LEU 39 HD21 LEU 39 -1.738 9.502 6.305 302 HD22 LEU 39 HD22 LEU 39 -0.445 10.575 5.731 303 HD23 LEU 39 HD23 LEU 39 -0.251 9.688 7.252 304 H ALA 40 H ALA 40 1.658 6.238 3.357 305 HA ALA 40 HA ALA 40 4.102 7.390 4.370 306 HB1 ALA 40 HB1 ALA 40 4.946 5.362 5.042 307 HB2 ALA 40 HB2 ALA 40 4.003 4.438 3.872 308 HB3 ALA 40 HB3 ALA 40 5.446 5.321 3.345 309 HA PRO 41 HA PRO 41 2.702 8.180 0.024 310 HB2 PRO 41 HB2 PRO 41 2.781 10.916 0.069 311 HB3 PRO 41 HB3 PRO 41 1.392 9.930 0.640 312 HG2 PRO 41 HG2 PRO 41 3.616 11.162 2.259 313 HG3 PRO 41 HG3 PRO 41 1.857 11.199 2.597 314 HD2 PRO 41 HD2 PRO 41 3.576 9.446 3.778 315 HD3 PRO 41 HD3 PRO 41 1.890 8.986 3.380 316 H LEU 42 H LEU 42 3.949 8.633 -1.776 317 HA LEU 42 HA LEU 42 6.676 8.325 -1.607 318 HB2 LEU 42 HB2 LEU 42 4.821 8.613 -3.673 319 HB3 LEU 42 HB3 LEU 42 5.888 9.947 -3.938 320 HG LEU 42 HG LEU 42 7.039 8.569 -5.194 321 HD11 LEU 42 HD11 LEU 42 8.139 7.131 -2.750 322 HD12 LEU 42 HD12 LEU 42 8.570 8.794 -3.145 323 HD13 LEU 42 HD13 LEU 42 8.934 7.498 -4.289 324 HD21 LEU 42 HD21 LEU 42 5.300 6.823 -5.058 325 HD22 LEU 42 HD22 LEU 42 6.131 6.162 -3.625 326 HD23 LEU 42 HD23 LEU 42 6.939 6.160 -5.213 327 H SER 43 H SER 43 4.852 11.399 -1.787 328 HA SER 43 HA SER 43 6.884 13.216 -2.216 329 HB2 SER 43 HB2 SER 43 4.422 13.574 -2.116 330 HB3 SER 43 HB3 SER 43 4.482 13.481 -0.355 331 HG SER 43 HG SER 43 4.462 15.564 -1.399 332 H VAL 44 H VAL 44 6.059 11.592 0.859 333 HA VAL 44 HA VAL 44 8.002 13.236 2.384 334 HB VAL 44 HB VAL 44 6.289 10.875 3.255 335 HG11 VAL 44 HG11 VAL 44 8.261 11.338 4.767 336 HG12 VAL 44 HG12 VAL 44 7.693 12.997 4.948 337 HG13 VAL 44 HG13 VAL 44 6.698 11.656 5.548 338 HG21 VAL 44 HG21 VAL 44 4.933 12.913 2.519 339 HG22 VAL 44 HG22 VAL 44 4.753 12.480 4.223 340 HG23 VAL 44 HG23 VAL 44 5.780 13.847 3.750 341 H LEU 45 H LEU 45 7.666 9.957 1.071 342 HA LEU 45 HA LEU 45 9.983 8.787 2.257 343 HB2 LEU 45 HB2 LEU 45 8.195 8.215 -0.100 344 HB3 LEU 45 HB3 LEU 45 9.704 7.353 0.005 345 HG LEU 45 HG LEU 45 7.528 6.322 1.042 346 HD11 LEU 45 HD11 LEU 45 9.616 5.229 1.162 347 HD12 LEU 45 HD12 LEU 45 8.984 5.220 2.810 348 HD13 LEU 45 HD13 LEU 45 10.261 6.375 2.348 349 HD21 LEU 45 HD21 LEU 45 7.201 6.669 3.430 350 HD22 LEU 45 HD22 LEU 45 6.852 8.149 2.537 351 HD23 LEU 45 HD23 LEU 45 8.372 7.978 3.446 352 H GLU 46 H GLU 46 9.555 10.320 -0.954 353 HA GLU 46 HA GLU 46 12.168 10.110 -1.836 354 HB2 GLU 46 HB2 GLU 46 9.972 12.070 -2.402 355 HB3 GLU 46 HB3 GLU 46 11.555 12.288 -3.145 356 HG2 GLU 46 HG2 GLU 46 10.507 9.505 -3.247 357 HG3 GLU 46 HG3 GLU 46 9.564 10.683 -4.157 358 H GLN 47 H GLN 47 10.709 12.431 0.419 359 HA GLN 47 HA GLN 47 12.904 14.299 0.425 360 HB2 GLN 47 HB2 GLN 47 10.236 13.995 1.807 361 HB3 GLN 47 HB3 GLN 47 11.445 14.985 2.609 362 HG2 GLN 47 HG2 GLN 47 11.815 16.228 0.459 363 HG3 GLN 47 HG3 GLN 47 10.579 15.206 -0.281 364 HE21 GLN 47 HE21 GLN 47 8.349 15.457 0.545 365 HE22 GLN 47 HE22 GLN 47 7.888 17.122 0.905 366 H SER 48 H SER 48 11.854 11.850 2.729 367 HA SER 48 HA SER 48 14.509 12.212 4.110 368 HB2 SER 48 HB2 SER 48 12.869 13.259 5.527 369 HB3 SER 48 HB3 SER 48 11.749 11.903 5.338 370 HG SER 48 HG SER 48 14.280 11.852 6.668 371 H GLY 49 H GLY 49 11.702 10.033 3.788 372 HA2 GLY 49 HA2 GLY 49 12.367 7.794 2.744 373 HA3 GLY 49 HA3 GLY 49 13.518 7.678 4.087 374 H LEU 50 H LEU 50 12.061 5.714 4.259 375 HA LEU 50 HA LEU 50 9.405 5.738 5.222 376 HB2 LEU 50 HB2 LEU 50 10.702 3.886 4.082 377 HB3 LEU 50 HB3 LEU 50 11.720 3.774 5.511 378 HG LEU 50 HG LEU 50 9.505 3.264 6.801 379 HD11 LEU 50 HD11 LEU 50 8.581 2.314 4.106 380 HD12 LEU 50 HD12 LEU 50 8.102 3.930 4.687 381 HD13 LEU 50 HD13 LEU 50 7.656 2.481 5.595 382 HD21 LEU 50 HD21 LEU 50 10.541 1.222 4.818 383 HD22 LEU 50 HD22 LEU 50 9.758 0.934 6.369 384 HD23 LEU 50 HD23 LEU 50 11.366 1.661 6.323 385 HA PRO 51 HA PRO 51 10.178 6.517 9.618 386 HB2 PRO 51 HB2 PRO 51 7.858 5.596 10.762 387 HB3 PRO 51 HB3 PRO 51 7.929 7.107 9.843 388 HG2 PRO 51 HG2 PRO 51 6.989 4.424 8.932 389 HG3 PRO 51 HG3 PRO 51 6.254 6.022 8.615 390 HD2 PRO 51 HD2 PRO 51 7.835 4.705 6.801 391 HD3 PRO 51 HD3 PRO 51 7.789 6.471 6.881 392 H ALA 52 H ALA 52 10.845 5.258 11.441 393 HA ALA 52 HA ALA 52 11.572 2.583 10.952 394 HB1 ALA 52 HB1 ALA 52 12.406 2.605 13.265 395 HB2 ALA 52 HB2 ALA 52 12.826 4.118 12.425 396 HB3 ALA 52 HB3 ALA 52 11.492 4.091 13.587 397 H LYS 53 H LYS 53 8.526 3.630 11.616 398 HA LYS 53 HA LYS 53 7.603 1.459 13.382 399 HB2 LYS 53 HB2 LYS 53 6.012 3.507 11.749 400 HB3 LYS 53 HB3 LYS 53 5.335 2.333 12.871 401 HG2 LYS 53 HG2 LYS 53 7.107 4.697 13.535 402 HG3 LYS 53 HG3 LYS 53 5.397 4.474 13.904 403 HD2 LYS 53 HD2 LYS 53 6.052 2.444 15.287 404 HD3 LYS 53 HD3 LYS 53 7.742 2.954 15.108 405 HE2 LYS 53 HE2 LYS 53 5.479 4.530 16.401 406 HE3 LYS 53 HE3 LYS 53 6.831 3.749 17.235 407 HZ1 LYS 53 HZ1 LYS 53 7.043 6.028 15.355 408 HZ2 LYS 53 HZ2 LYS 53 8.326 5.260 16.064 409 HZ3 LYS 53 HZ3 LYS 53 7.268 6.076 16.979 410 H LEU 54 H LEU 54 6.596 2.479 10.164 411 HA LEU 54 HA LEU 54 5.330 0.159 9.313 412 HB2 LEU 54 HB2 LEU 54 6.599 2.549 7.911 413 HB3 LEU 54 HB3 LEU 54 5.845 1.290 6.963 414 HG LEU 54 HG LEU 54 4.377 2.633 9.241 415 HD11 LEU 54 HD11 LEU 54 4.894 4.356 7.557 416 HD12 LEU 54 HD12 LEU 54 3.177 3.956 7.603 417 HD13 LEU 54 HD13 LEU 54 4.206 3.330 6.287 418 HD21 LEU 54 HD21 LEU 54 2.714 1.200 8.703 419 HD22 LEU 54 HD22 LEU 54 3.910 0.279 7.799 420 HD23 LEU 54 HD23 LEU 54 2.914 1.443 6.947 421 H ARG 55 H ARG 55 8.600 0.429 9.592 422 HA ARG 55 HA ARG 55 9.482 -1.049 7.275 423 HB2 ARG 55 HB2 ARG 55 11.698 -0.783 8.067 424 HB3 ARG 55 HB3 ARG 55 10.857 0.708 8.452 425 HG2 ARG 55 HG2 ARG 55 11.543 0.537 10.553 426 HG3 ARG 55 HG3 ARG 55 10.503 -0.850 10.764 427 HD2 ARG 55 HD2 ARG 55 12.573 -2.201 9.734 428 HD3 ARG 55 HD3 ARG 55 13.460 -0.726 10.069 429 HE ARG 55 HE ARG 55 13.492 -1.273 12.284 430 HH11 ARG 55 HH11 ARG 55 11.031 -3.328 10.747 431 HH12 ARG 55 HH12 ARG 55 10.460 -4.030 12.223 432 HH21 ARG 55 HH21 ARG 55 12.831 -2.211 14.193 433 HH22 ARG 55 HH22 ARG 55 11.432 -3.273 14.270 434 H HIS 56 H HIS 56 7.526 -2.371 8.637 435 HA HIS 56 HA HIS 56 8.478 -4.545 10.229 436 HB2 HIS 56 HB2 HIS 56 5.993 -3.999 9.676 437 HB3 HIS 56 HB3 HIS 56 6.240 -4.945 8.214 438 HD1 HIS 56 HD1 HIS 56 7.568 -5.813 11.797 439 HD2 HIS 56 HD2 HIS 56 4.975 -7.191 8.753 440 HE1 HIS 56 HE1 HIS 56 6.787 -8.131 12.485 441 H GLU 57 H GLU 57 8.787 -6.765 9.625 442 HA GLU 57 HA GLU 57 10.892 -7.325 8.045 443 HB2 GLU 57 HB2 GLU 57 8.598 -9.249 8.626 444 HB3 GLU 57 HB3 GLU 57 10.289 -9.668 8.319 445 HG2 GLU 57 HG2 GLU 57 10.900 -8.309 10.390 446 HG3 GLU 57 HG3 GLU 57 9.181 -8.151 10.728 447 H GLN 58 H GLN 58 7.489 -7.487 6.928 448 HA GLN 58 HA GLN 58 8.436 -7.421 4.148 449 HB2 GLN 58 HB2 GLN 58 6.334 -9.408 5.130 450 HB3 GLN 58 HB3 GLN 58 6.940 -9.213 3.481 451 HG2 GLN 58 HG2 GLN 58 9.167 -10.040 4.192 452 HG3 GLN 58 HG3 GLN 58 8.573 -10.228 5.842 453 HE21 GLN 58 HE21 GLN 58 9.008 -12.455 5.870 454 HE22 GLN 58 HE22 GLN 58 7.951 -13.603 5.085 455 H ILE 59 H ILE 59 7.104 -6.222 2.869 456 HA ILE 59 HA ILE 59 4.517 -5.328 3.943 457 HB ILE 59 HB ILE 59 4.988 -3.071 3.819 458 HG12 ILE 59 HG12 ILE 59 7.512 -3.692 2.284 459 HG13 ILE 59 HG13 ILE 59 6.023 -3.042 1.589 460 HG21 ILE 59 HG21 ILE 59 6.881 -2.540 5.251 461 HG22 ILE 59 HG22 ILE 59 6.250 -4.090 5.771 462 HG23 ILE 59 HG23 ILE 59 7.718 -4.024 4.793 463 HD11 ILE 59 HD11 ILE 59 7.425 -1.217 1.703 464 HD12 ILE 59 HD12 ILE 59 6.293 -1.024 3.056 465 HD13 ILE 59 HD13 ILE 59 7.966 -1.619 3.323 466 H ILE 60 H ILE 60 3.386 -3.978 2.108 467 HA ILE 60 HA ILE 60 4.079 -4.888 -0.625 468 HB ILE 60 HB ILE 60 1.342 -4.994 0.711 469 HG12 ILE 60 HG12 ILE 60 2.073 -7.541 -0.478 470 HG13 ILE 60 HG13 ILE 60 3.403 -7.032 0.498 471 HG21 ILE 60 HG21 ILE 60 0.504 -5.941 -1.393 472 HG22 ILE 60 HG22 ILE 60 1.090 -4.304 -1.622 473 HG23 ILE 60 HG23 ILE 60 2.090 -5.673 -2.163 474 HD11 ILE 60 HD11 ILE 60 0.524 -7.302 1.430 475 HD12 ILE 60 HD12 ILE 60 1.920 -8.313 1.879 476 HD13 ILE 60 HD13 ILE 60 1.840 -6.643 2.433 477 H PHE 61 H PHE 61 3.684 -3.257 -2.149 478 HA PHE 61 HA PHE 61 2.822 -0.613 -1.077 479 HB2 PHE 61 HB2 PHE 61 4.334 -1.275 -3.643 480 HB3 PHE 61 HB3 PHE 61 3.880 0.309 -3.077 481 HD1 PHE 61 HD1 PHE 61 4.625 0.623 -0.429 482 HD2 PHE 61 HD2 PHE 61 6.680 -1.578 -3.505 483 HE1 PHE 61 HE1 PHE 61 6.785 1.088 0.686 484 HE2 PHE 61 HE2 PHE 61 8.855 -1.063 -2.413 485 HZ PHE 61 HZ PHE 61 8.888 0.302 -0.342 486 H HIS 62 H HIS 62 1.222 0.522 -2.228 487 HA HIS 62 HA HIS 62 0.056 -0.678 -4.617 488 HB2 HIS 62 HB2 HIS 62 -2.150 -0.963 -3.735 489 HB3 HIS 62 HB3 HIS 62 -1.018 -1.890 -2.751 490 HD1 HIS 62 HD1 HIS 62 -0.261 0.802 -0.851 491 HD2 HIS 62 HD2 HIS 62 -3.809 -1.395 -1.551 492 HE1 HIS 62 HE1 HIS 62 -1.770 1.191 1.121 493 H CYS 63 H CYS 63 -1.502 0.721 -5.620 494 HA CYS 63 HA CYS 63 -1.572 3.546 -4.870 495 HB2 CYS 63 HB2 CYS 63 -0.368 2.372 -7.422 496 HB3 CYS 63 HB3 CYS 63 -0.988 4.039 -7.352 497 HG CYS 63 HG CYS 63 0.987 2.929 -5.019 498 H GLN 64 H GLN 64 -2.907 4.477 -7.076 499 HA GLN 64 HA GLN 64 -5.510 3.511 -6.657 500 HB2 GLN 64 HB2 GLN 64 -4.420 5.066 -9.017 501 HB3 GLN 64 HB3 GLN 64 -6.133 4.928 -8.609 502 HG2 GLN 64 HG2 GLN 64 -5.935 6.217 -6.632 503 HG3 GLN 64 HG3 GLN 64 -4.179 6.033 -6.573 504 HE21 GLN 64 HE21 GLN 64 -5.263 8.554 -6.251 505 HE22 GLN 64 HE22 GLN 64 -4.744 9.480 -7.636 506 H ALA 65 H ALA 65 -3.123 2.670 -9.102 507 HA ALA 65 HA ALA 65 -4.797 0.409 -10.076 508 HB1 ALA 65 HB1 ALA 65 -4.894 2.277 -11.705 509 HB2 ALA 65 HB2 ALA 65 -3.132 2.326 -11.790 510 HB3 ALA 65 HB3 ALA 65 -4.018 0.892 -12.357 511 H GLY 66 H GLY 66 -1.549 1.678 -10.743 512 HA2 GLY 66 HA2 GLY 66 -0.014 0.016 -9.106 513 HA3 GLY 66 HA3 GLY 66 -0.318 -0.920 -10.570 514 H LYS 67 H LYS 67 -0.344 1.960 -11.893 515 HA LYS 67 HA LYS 67 2.208 1.860 -13.049 516 HB2 LYS 67 HB2 LYS 67 0.163 4.113 -12.873 517 HB3 LYS 67 HB3 LYS 67 1.599 4.157 -13.907 518 HG2 LYS 67 HG2 LYS 67 0.908 2.247 -15.149 519 HG3 LYS 67 HG3 LYS 67 -0.436 1.874 -14.072 520 HD2 LYS 67 HD2 LYS 67 -0.232 4.403 -15.714 521 HD3 LYS 67 HD3 LYS 67 -1.046 2.942 -16.255 522 HE2 LYS 67 HE2 LYS 67 -2.499 3.019 -14.189 523 HE3 LYS 67 HE3 LYS 67 -1.773 4.594 -13.790 524 HZ1 LYS 67 HZ1 LYS 67 -2.648 5.387 -15.934 525 HZ2 LYS 67 HZ2 LYS 67 -3.825 4.900 -14.874 526 HZ3 LYS 67 HZ3 LYS 67 -3.405 3.944 -16.152 527 H ARG 68 H ARG 68 1.042 4.275 -10.593 528 HA ARG 68 HA ARG 68 3.555 5.530 -10.300 529 HB2 ARG 68 HB2 ARG 68 1.168 5.216 -8.469 530 HB3 ARG 68 HB3 ARG 68 2.623 5.987 -7.854 531 HG2 ARG 68 HG2 ARG 68 1.136 6.902 -10.354 532 HG3 ARG 68 HG3 ARG 68 0.862 7.551 -8.739 533 HD2 ARG 68 HD2 ARG 68 3.508 7.678 -10.229 534 HD3 ARG 68 HD3 ARG 68 2.344 8.998 -10.089 535 HE ARG 68 HE ARG 68 2.749 8.488 -7.487 536 HH11 ARG 68 HH11 ARG 68 5.111 9.061 -10.113 537 HH12 ARG 68 HH12 ARG 68 6.420 9.404 -9.017 538 HH21 ARG 68 HH21 ARG 68 4.282 9.275 -6.149 539 HH22 ARG 68 HH22 ARG 68 5.836 9.835 -6.745 540 H THR 69 H THR 69 2.454 2.495 -8.725 541 HA THR 69 HA THR 69 4.632 2.317 -6.918 542 HB THR 69 HB THR 69 3.598 -0.251 -7.651 543 HG1 THR 69 HG1 THR 69 1.671 -0.067 -8.084 544 HG21 THR 69 HG21 THR 69 4.183 0.545 -5.361 545 HG22 THR 69 HG22 THR 69 2.625 -0.301 -5.471 546 HG23 THR 69 HG23 THR 69 2.656 1.467 -5.337 547 H SER 70 H SER 70 3.937 0.341 -9.838 548 HA SER 70 HA SER 70 6.383 -0.888 -10.087 549 HB2 SER 70 HB2 SER 70 4.627 -0.020 -12.409 550 HB3 SER 70 HB3 SER 70 5.642 -1.475 -12.279 551 HG SER 70 HG SER 70 3.155 -0.846 -11.124 552 H ASN 71 H ASN 71 5.403 2.247 -11.471 553 HA ASN 71 HA ASN 71 7.798 2.655 -12.950 554 HB2 ASN 71 HB2 ASN 71 5.751 4.673 -12.007 555 HB3 ASN 71 HB3 ASN 71 7.076 4.980 -13.141 556 HD21 ASN 71 HD21 ASN 71 4.283 5.369 -13.750 557 HD22 ASN 71 HD22 ASN 71 4.000 4.299 -15.147 558 H ASN 72 H ASN 72 7.818 2.510 -9.652 559 HA ASN 72 HA ASN 72 10.189 4.306 -9.555 560 HB2 ASN 72 HB2 ASN 72 8.026 4.300 -7.418 561 HB3 ASN 72 HB3 ASN 72 9.660 4.970 -7.237 562 HD21 ASN 72 HD21 ASN 72 6.473 5.584 -8.513 563 HD22 ASN 72 HD22 ASN 72 6.885 7.129 -9.262 564 H ALA 73 H ALA 73 9.223 1.295 -9.572 565 HA ALA 73 HA ALA 73 9.804 -0.095 -7.317 566 HB1 ALA 73 HB1 ALA 73 10.488 -1.937 -8.906 567 HB2 ALA 73 HB2 ALA 73 8.966 -1.139 -9.350 568 HB3 ALA 73 HB3 ALA 73 10.473 -0.757 -10.217 569 H ASP 74 H ASP 74 12.133 1.234 -9.585 570 HA ASP 74 HA ASP 74 14.540 0.079 -8.892 571 HB2 ASP 74 HB2 ASP 74 13.887 1.821 -10.664 572 HB3 ASP 74 HB3 ASP 74 14.119 3.055 -9.454 573 H LYS 75 H LYS 75 13.144 3.089 -7.444 574 HA LYS 75 HA LYS 75 15.111 3.095 -5.354 575 HB2 LYS 75 HB2 LYS 75 14.907 5.231 -5.576 576 HB3 LYS 75 HB3 LYS 75 13.938 4.841 -6.984 577 HG2 LYS 75 HG2 LYS 75 12.170 5.073 -4.710 578 HG3 LYS 75 HG3 LYS 75 13.278 6.436 -4.886 579 HD2 LYS 75 HD2 LYS 75 11.756 5.346 -7.171 580 HD3 LYS 75 HD3 LYS 75 11.105 6.666 -6.146 581 HE2 LYS 75 HE2 LYS 75 13.740 6.677 -7.647 582 HE3 LYS 75 HE3 LYS 75 12.269 7.443 -8.278 583 HZ1 LYS 75 HZ1 LYS 75 13.844 8.965 -7.270 584 HZ2 LYS 75 HZ2 LYS 75 13.751 8.243 -5.825 585 HZ3 LYS 75 HZ3 LYS 75 12.457 9.042 -6.424 586 H LEU 76 H LEU 76 11.668 2.635 -5.725 587 HA LEU 76 HA LEU 76 10.919 2.640 -2.960 588 HB2 LEU 76 HB2 LEU 76 9.805 1.034 -5.312 589 HB3 LEU 76 HB3 LEU 76 9.098 0.959 -3.709 590 HG LEU 76 HG LEU 76 9.297 3.489 -5.372 591 HD11 LEU 76 HD11 LEU 76 6.874 3.183 -5.681 592 HD12 LEU 76 HD12 LEU 76 6.913 1.693 -4.709 593 HD13 LEU 76 HD13 LEU 76 7.750 1.765 -6.274 594 HD21 LEU 76 HD21 LEU 76 7.911 2.896 -2.713 595 HD22 LEU 76 HD22 LEU 76 7.679 4.372 -3.662 596 HD23 LEU 76 HD23 LEU 76 9.257 4.036 -2.970 597 H ALA 77 H ALA 77 12.132 -0.054 -5.021 598 HA ALA 77 HA ALA 77 11.974 -2.074 -3.011 599 HB1 ALA 77 HB1 ALA 77 13.650 -3.268 -4.390 600 HB2 ALA 77 HB2 ALA 77 12.369 -2.595 -5.403 601 HB3 ALA 77 HB3 ALA 77 13.946 -1.790 -5.322 602 H ALA 78 H ALA 78 14.283 0.614 -3.381 603 HA ALA 78 HA ALA 78 16.190 -0.715 -1.551 604 HB1 ALA 78 HB1 ALA 78 17.052 0.434 -3.541 605 HB2 ALA 78 HB2 ALA 78 16.339 1.965 -2.979 606 HB3 ALA 78 HB3 ALA 78 17.628 1.167 -2.036 607 H ILE 79 H ILE 79 14.190 2.282 -1.648 608 HA ILE 79 HA ILE 79 14.882 3.390 0.785 609 HB ILE 79 HB ILE 79 12.158 3.351 -0.568 610 HG12 ILE 79 HG12 ILE 79 14.089 5.687 -0.458 611 HG13 ILE 79 HG13 ILE 79 14.081 4.537 -1.799 612 HG21 ILE 79 HG21 ILE 79 11.790 5.470 0.860 613 HG22 ILE 79 HG22 ILE 79 11.698 3.932 1.703 614 HG23 ILE 79 HG23 ILE 79 13.166 4.946 1.827 615 HD11 ILE 79 HD11 ILE 79 11.558 5.113 -2.064 616 HD12 ILE 79 HD12 ILE 79 11.884 6.509 -1.005 617 HD13 ILE 79 HD13 ILE 79 12.730 6.352 -2.535 618 H ALA 80 H ALA 80 12.312 0.928 0.260 619 HA ALA 80 HA ALA 80 11.737 0.817 3.112 620 HB1 ALA 80 HB1 ALA 80 10.749 -0.769 0.725 621 HB2 ALA 80 HB2 ALA 80 10.117 -0.971 2.377 622 HB3 ALA 80 HB3 ALA 80 9.920 0.584 1.556 623 H ALA 81 H ALA 81 14.135 -0.691 1.243 624 HA ALA 81 HA ALA 81 14.069 -3.302 2.357 625 HB1 ALA 81 HB1 ALA 81 15.354 -2.278 0.278 626 HB2 ALA 81 HB2 ALA 81 16.646 -2.065 1.477 627 HB3 ALA 81 HB3 ALA 81 15.952 -3.681 1.140 628 HA PRO 82 HA PRO 82 16.612 -4.622 2.802 629 HB2 PRO 82 HB2 PRO 82 17.312 -6.228 4.815 630 HB3 PRO 82 HB3 PRO 82 18.333 -4.876 4.252 631 HG2 PRO 82 HG2 PRO 82 16.415 -4.918 6.594 632 HG3 PRO 82 HG3 PRO 82 18.125 -4.374 6.587 633 HD2 PRO 82 HD2 PRO 82 16.057 -2.611 6.322 634 HD3 PRO 82 HD3 PRO 82 17.590 -2.397 5.424 635 H ALA 83 H ALA 83 13.833 -3.930 4.349 636 HA ALA 83 HA ALA 83 12.730 -6.546 4.955 637 HB1 ALA 83 HB1 ALA 83 11.320 -3.951 4.214 638 HB2 ALA 83 HB2 ALA 83 10.579 -5.350 4.996 639 HB3 ALA 83 HB3 ALA 83 11.803 -4.412 5.874 640 H GLU 84 H GLU 84 10.821 -7.401 3.727 641 HA GLU 84 HA GLU 84 11.499 -7.544 0.870 642 HB2 GLU 84 HB2 GLU 84 10.738 -9.498 2.637 643 HB3 GLU 84 HB3 GLU 84 9.225 -9.106 1.815 644 HG2 GLU 84 HG2 GLU 84 10.348 -10.896 0.619 645 HG3 GLU 84 HG3 GLU 84 10.348 -9.443 -0.383 646 H ILE 85 H ILE 85 10.117 -6.822 -0.805 647 HA ILE 85 HA ILE 85 7.648 -5.442 0.049 648 HB ILE 85 HB ILE 85 8.245 -3.860 -1.881 649 HG12 ILE 85 HG12 ILE 85 10.492 -5.123 -2.346 650 HG13 ILE 85 HG13 ILE 85 10.395 -3.376 -2.466 651 HG21 ILE 85 HG21 ILE 85 7.783 -2.943 0.112 652 HG22 ILE 85 HG22 ILE 85 9.268 -3.573 0.908 653 HG23 ILE 85 HG23 ILE 85 9.347 -2.273 -0.303 654 HD11 ILE 85 HD11 ILE 85 11.343 -4.724 0.084 655 HD12 ILE 85 HD12 ILE 85 12.434 -4.275 -1.246 656 HD13 ILE 85 HD13 ILE 85 11.539 -3.028 -0.385 657 H PHE 86 H PHE 86 6.039 -5.316 -1.554 658 HA PHE 86 HA PHE 86 6.305 -6.908 -4.017 659 HB2 PHE 86 HB2 PHE 86 4.079 -7.219 -1.958 660 HB3 PHE 86 HB3 PHE 86 4.059 -7.897 -3.578 661 HD1 PHE 86 HD1 PHE 86 5.459 -8.159 -0.245 662 HD2 PHE 86 HD2 PHE 86 5.465 -9.836 -4.203 663 HE1 PHE 86 HE1 PHE 86 6.760 -10.147 0.601 664 HE2 PHE 86 HE2 PHE 86 6.714 -11.807 -3.372 665 HZ PHE 86 HZ PHE 86 7.369 -11.953 -0.980 666 H LEU 87 H LEU 87 4.211 -6.476 -5.294 667 HA LEU 87 HA LEU 87 3.287 -3.643 -5.002 668 HB2 LEU 87 HB2 LEU 87 3.962 -5.252 -7.495 669 HB3 LEU 87 HB3 LEU 87 3.228 -3.651 -7.513 670 HG LEU 87 HG LEU 87 6.039 -4.397 -6.651 671 HD11 LEU 87 HD11 LEU 87 5.009 -2.763 -9.002 672 HD12 LEU 87 HD12 LEU 87 5.655 -4.413 -9.077 673 HD13 LEU 87 HD13 LEU 87 6.718 -3.080 -8.614 674 HD21 LEU 87 HD21 LEU 87 5.357 -2.534 -5.249 675 HD22 LEU 87 HD22 LEU 87 4.623 -1.705 -6.628 676 HD23 LEU 87 HD23 LEU 87 6.383 -1.871 -6.533 677 H LEU 88 H LEU 88 1.145 -3.315 -5.767 678 HA LEU 88 HA LEU 88 -0.531 -5.783 -6.064 679 HB2 LEU 88 HB2 LEU 88 -0.825 -3.312 -4.460 680 HB3 LEU 88 HB3 LEU 88 -2.225 -3.615 -5.480 681 HG LEU 88 HG LEU 88 -1.055 -5.665 -3.547 682 HD11 LEU 88 HD11 LEU 88 -1.951 -3.829 -2.264 683 HD12 LEU 88 HD12 LEU 88 -3.102 -5.148 -2.191 684 HD13 LEU 88 HD13 LEU 88 -3.430 -3.766 -3.260 685 HD21 LEU 88 HD21 LEU 88 -2.287 -6.823 -5.277 686 HD22 LEU 88 HD22 LEU 88 -3.588 -5.615 -5.255 687 HD23 LEU 88 HD23 LEU 88 -3.345 -6.719 -3.880 688 H GLU 89 H GLU 89 -0.996 -6.028 -8.238 689 HA GLU 89 HA GLU 89 -0.680 -3.711 -10.023 690 HB2 GLU 89 HB2 GLU 89 0.229 -5.995 -10.488 691 HB3 GLU 89 HB3 GLU 89 -1.411 -6.600 -10.583 692 HG2 GLU 89 HG2 GLU 89 -0.364 -6.209 -12.798 693 HG3 GLU 89 HG3 GLU 89 -1.844 -5.292 -12.588 694 H ASP 90 H ASP 90 -3.225 -5.043 -8.195 695 HA ASP 90 HA ASP 90 -5.303 -4.220 -10.125 696 HB2 ASP 90 HB2 ASP 90 -5.157 -6.307 -8.279 697 HB3 ASP 90 HB3 ASP 90 -6.267 -5.170 -7.526 698 H GLY 91 H GLY 91 -3.727 -2.979 -7.342 699 HA2 GLY 91 HA2 GLY 91 -3.775 -0.913 -6.357 700 HA3 GLY 91 HA3 GLY 91 -4.715 -0.364 -7.737 701 H ILE 92 H ILE 92 -5.484 0.990 -5.866 702 HA ILE 92 HA ILE 92 -7.212 -0.005 -3.869 703 HB ILE 92 HB ILE 92 -6.119 2.336 -4.308 704 HG12 ILE 92 HG12 ILE 92 -7.118 1.803 -2.226 705 HG13 ILE 92 HG13 ILE 92 -7.564 3.423 -2.725 706 HG21 ILE 92 HG21 ILE 92 -7.460 2.837 -6.390 707 HG22 ILE 92 HG22 ILE 92 -8.879 3.017 -5.377 708 HG23 ILE 92 HG23 ILE 92 -7.497 4.097 -5.134 709 HD11 ILE 92 HD11 ILE 92 -9.494 2.490 -1.755 710 HD12 ILE 92 HD12 ILE 92 -9.825 2.459 -3.482 711 HD13 ILE 92 HD13 ILE 92 -9.325 0.970 -2.639 712 H ASP 93 H ASP 93 -7.797 0.722 -7.300 713 HA ASP 93 HA ASP 93 -10.638 0.605 -7.297 714 HB2 ASP 93 HB2 ASP 93 -9.127 1.413 -9.122 715 HB3 ASP 93 HB3 ASP 93 -8.684 -0.265 -9.456 716 H GLY 94 H GLY 94 -8.097 -1.916 -7.598 717 HA2 GLY 94 HA2 GLY 94 -9.795 -4.168 -7.930 718 HA3 GLY 94 HA3 GLY 94 -8.098 -4.128 -7.434 719 H TRP 95 H TRP 95 -8.283 -2.548 -5.094 720 HA TRP 95 HA TRP 95 -8.917 -4.459 -3.139 721 HB2 TRP 95 HB2 TRP 95 -7.452 -2.390 -2.922 722 HB3 TRP 95 HB3 TRP 95 -8.928 -1.483 -2.592 723 HD1 TRP 95 HD1 TRP 95 -10.077 -1.882 -0.242 724 HE1 TRP 95 HE1 TRP 95 -9.449 -3.034 1.912 725 HE3 TRP 95 HE3 TRP 95 -5.798 -4.101 -1.862 726 HZ2 TRP 95 HZ2 TRP 95 -7.292 -4.769 2.847 727 HZ3 TRP 95 HZ3 TRP 95 -4.421 -5.465 -0.281 728 HH2 TRP 95 HH2 TRP 95 -5.167 -5.814 2.056 729 H LYS 96 H LYS 96 -10.930 -1.805 -4.486 730 HA LYS 96 HA LYS 96 -13.231 -2.395 -2.749 731 HB2 LYS 96 HB2 LYS 96 -12.906 -0.709 -5.277 732 HB3 LYS 96 HB3 LYS 96 -14.490 -1.074 -4.570 733 HG2 LYS 96 HG2 LYS 96 -13.543 -0.236 -2.345 734 HG3 LYS 96 HG3 LYS 96 -12.198 0.439 -3.302 735 HD2 LYS 96 HD2 LYS 96 -13.687 1.950 -4.433 736 HD3 LYS 96 HD3 LYS 96 -15.117 1.050 -3.891 737 HE2 LYS 96 HE2 LYS 96 -14.947 3.057 -2.544 738 HE3 LYS 96 HE3 LYS 96 -14.650 1.636 -1.537 739 HZ1 LYS 96 HZ1 LYS 96 -12.298 2.125 -1.622 740 HZ2 LYS 96 HZ2 LYS 96 -13.153 3.464 -1.126 741 HZ3 LYS 96 HZ3 LYS 96 -12.580 3.421 -2.646 742 H LYS 97 H LYS 97 -12.372 -3.166 -6.127 743 HA LYS 97 HA LYS 97 -14.669 -4.603 -6.801 744 HB2 LYS 97 HB2 LYS 97 -12.872 -3.803 -8.294 745 HB3 LYS 97 HB3 LYS 97 -11.780 -5.028 -7.631 746 HG2 LYS 97 HG2 LYS 97 -13.117 -6.812 -8.556 747 HG3 LYS 97 HG3 LYS 97 -14.348 -5.663 -9.131 748 HD2 LYS 97 HD2 LYS 97 -12.919 -4.738 -10.768 749 HD3 LYS 97 HD3 LYS 97 -11.450 -5.255 -9.914 750 HE2 LYS 97 HE2 LYS 97 -11.936 -7.595 -10.397 751 HE3 LYS 97 HE3 LYS 97 -13.386 -7.127 -11.312 752 HZ1 LYS 97 HZ1 LYS 97 -12.029 -6.087 -12.919 753 HZ2 LYS 97 HZ2 LYS 97 -11.257 -7.514 -12.604 754 HZ3 LYS 97 HZ3 LYS 97 -10.701 -6.115 -11.957 755 H ALA 98 H ALA 98 -11.774 -5.780 -5.034 756 HA ALA 98 HA ALA 98 -12.503 -8.544 -4.931 757 HB1 ALA 98 HB1 ALA 98 -10.787 -8.624 -3.151 758 HB2 ALA 98 HB2 ALA 98 -10.217 -7.662 -4.531 759 HB3 ALA 98 HB3 ALA 98 -10.798 -6.846 -3.059 760 H GLY 99 H GLY 99 -13.828 -5.802 -3.330 761 HA2 GLY 99 HA2 GLY 99 -15.637 -5.652 -1.970 762 HA3 GLY 99 HA3 GLY 99 -15.632 -7.404 -1.712 763 H LEU 100 H LEU 100 -12.555 -5.879 -1.156 764 HA LEU 100 HA LEU 100 -12.626 -6.642 1.614 765 HB2 LEU 100 HB2 LEU 100 -10.665 -5.018 -0.000 766 HB3 LEU 100 HB3 LEU 100 -10.374 -5.480 1.657 767 HG LEU 100 HG LEU 100 -10.870 -7.495 -0.571 768 HD11 LEU 100 HD11 LEU 100 -8.507 -7.876 -0.613 769 HD12 LEU 100 HD12 LEU 100 -8.242 -6.777 0.757 770 HD13 LEU 100 HD13 LEU 100 -8.791 -6.120 -0.793 771 HD21 LEU 100 HD21 LEU 100 -9.820 -9.092 1.106 772 HD22 LEU 100 HD22 LEU 100 -11.417 -8.509 1.574 773 HD23 LEU 100 HD23 LEU 100 -9.962 -7.818 2.325 774 HA PRO 101 HA PRO 101 -14.283 -3.045 3.514 775 HB2 PRO 101 HB2 PRO 101 -13.157 -3.005 5.984 776 HB3 PRO 101 HB3 PRO 101 -14.150 -4.395 5.441 777 HG2 PRO 101 HG2 PRO 101 -11.119 -4.111 5.291 778 HG3 PRO 101 HG3 PRO 101 -12.046 -5.423 6.077 779 HD2 PRO 101 HD2 PRO 101 -11.165 -5.691 3.537 780 HD3 PRO 101 HD3 PRO 101 -12.787 -6.280 3.985 781 H VAL 102 H VAL 102 -13.762 -1.064 4.765 782 HA VAL 102 HA VAL 102 -11.207 0.291 4.412 783 HB VAL 102 HB VAL 102 -12.593 2.312 3.579 784 HG11 VAL 102 HG11 VAL 102 -10.753 1.119 2.366 785 HG12 VAL 102 HG12 VAL 102 -11.972 0.078 1.618 786 HG13 VAL 102 HG13 VAL 102 -11.996 1.835 1.309 787 HG21 VAL 102 HG21 VAL 102 -14.839 1.115 3.613 788 HG22 VAL 102 HG22 VAL 102 -14.424 1.924 2.085 789 HG23 VAL 102 HG23 VAL 102 -14.285 0.160 2.235 790 H ALA 103 H ALA 103 -11.353 2.444 5.650 791 HA ALA 103 HA ALA 103 -13.092 2.088 8.049 792 HB1 ALA 103 HB1 ALA 103 -10.639 3.793 7.628 793 HB2 ALA 103 HB2 ALA 103 -11.501 3.551 9.158 794 HB3 ALA 103 HB3 ALA 103 -10.662 2.182 8.400 795 H VAL 104 H VAL 104 -14.603 2.867 5.997 796 HA VAL 104 HA VAL 104 -14.685 5.804 5.779 797 HB VAL 104 HB VAL 104 -16.777 5.369 4.464 798 HG11 VAL 104 HG11 VAL 104 -15.619 4.301 2.516 799 HG12 VAL 104 HG12 VAL 104 -14.760 5.644 3.270 800 HG13 VAL 104 HG13 VAL 104 -14.229 3.975 3.577 801 HG21 VAL 104 HG21 VAL 104 -16.073 2.437 4.807 802 HG22 VAL 104 HG22 VAL 104 -17.486 3.266 5.496 803 HG23 VAL 104 HG23 VAL 104 -17.326 3.101 3.740 804 H ASN 105 H ASN 105 -16.959 6.787 6.201 805 HA ASN 105 HA ASN 105 -17.437 6.549 9.020 806 HB2 ASN 105 HB2 ASN 105 -19.105 7.839 6.830 807 HB3 ASN 105 HB3 ASN 105 -19.514 7.938 8.523 808 HD21 ASN 105 HD21 ASN 105 -19.098 10.369 7.209 809 HD22 ASN 105 HD22 ASN 105 -17.463 10.946 7.407 810 H LYS 106 H LYS 106 -19.137 5.693 10.118 811 HA LYS 106 HA LYS 106 -21.040 3.840 8.729 812 HB2 LYS 106 HB2 LYS 106 -19.479 3.365 11.292 813 HB3 LYS 106 HB3 LYS 106 -20.761 2.319 10.720 814 HG2 LYS 106 HG2 LYS 106 -18.235 2.852 9.110 815 HG3 LYS 106 HG3 LYS 106 -18.350 1.581 10.318 816 HD2 LYS 106 HD2 LYS 106 -20.294 1.737 7.985 817 HD3 LYS 106 HD3 LYS 106 -18.732 0.900 7.895 818 HE2 LYS 106 HE2 LYS 106 -19.333 -0.468 9.878 819 HE3 LYS 106 HE3 LYS 106 -20.934 0.294 9.903 820 HZ1 LYS 106 HZ1 LYS 106 -21.276 -0.634 7.643 821 HZ2 LYS 106 HZ2 LYS 106 -21.108 -1.730 8.803 822 HZ3 LYS 106 HZ3 LYS 106 -19.851 -1.477 7.787 823 H SER 107 H SER 107 -20.479 6.411 11.055 824 HA SER 107 HA SER 107 -23.347 6.438 11.622 825 HB2 SER 107 HB2 SER 107 -22.407 5.057 13.426 826 HB3 SER 107 HB3 SER 107 -21.225 6.316 13.815 827 HG SER 107 HG SER 107 -22.738 6.843 15.158 828 H GLN 108 H GLN 108 -20.447 8.032 13.024 829 HA GLN 108 HA GLN 108 -21.506 10.673 12.648 830 HB2 GLN 108 HB2 GLN 108 -19.275 11.394 13.402 831 HB3 GLN 108 HB3 GLN 108 -19.950 10.163 14.471 832 HG2 GLN 108 HG2 GLN 108 -18.440 8.494 13.653 833 HG3 GLN 108 HG3 GLN 108 -17.967 9.485 12.263 834 HE21 GLN 108 HE21 GLN 108 -15.777 9.619 12.608 835 HE22 GLN 108 HE22 GLN 108 -15.103 10.518 13.961 Start of MODEL 19 1 H ALA 1 H ALA 1 11.945 -10.265 -3.138 2 HA ALA 1 HA ALA 1 11.108 -7.926 -3.090 3 HB1 ALA 1 HB1 ALA 1 12.401 -8.848 -5.699 4 HB2 ALA 1 HB2 ALA 1 12.408 -7.190 -5.060 5 HB3 ALA 1 HB3 ALA 1 13.254 -8.458 -4.184 6 H LEU 2 H LEU 2 10.671 -6.544 -5.480 7 HA LEU 2 HA LEU 2 7.899 -6.342 -5.677 8 HB2 LEU 2 HB2 LEU 2 10.026 -5.580 -7.719 9 HB3 LEU 2 HB3 LEU 2 8.422 -4.877 -7.598 10 HG LEU 2 HG LEU 2 10.571 -4.683 -5.409 11 HD11 LEU 2 HD11 LEU 2 11.322 -3.531 -7.382 12 HD12 LEU 2 HD12 LEU 2 10.860 -2.354 -6.143 13 HD13 LEU 2 HD13 LEU 2 9.781 -2.675 -7.531 14 HD21 LEU 2 HD21 LEU 2 9.149 -2.881 -4.502 15 HD22 LEU 2 HD22 LEU 2 8.286 -4.426 -4.522 16 HD23 LEU 2 HD23 LEU 2 7.948 -3.208 -5.765 17 H THR 3 H THR 3 6.798 -8.260 -6.099 18 HA THR 3 HA THR 3 7.288 -9.642 -8.667 19 HB THR 3 HB THR 3 6.713 -10.374 -5.805 20 HG1 THR 3 HG1 THR 3 8.083 -11.662 -7.928 21 HG21 THR 3 HG21 THR 3 4.728 -11.398 -6.774 22 HG22 THR 3 HG22 THR 3 5.898 -12.595 -6.243 23 HG23 THR 3 HG23 THR 3 5.724 -12.247 -7.983 24 H THR 4 H THR 4 4.815 -7.932 -7.035 25 HA THR 4 HA THR 4 2.777 -7.336 -7.644 26 HB THR 4 HB THR 4 3.145 -8.421 -10.442 27 HG1 THR 4 HG1 THR 4 4.183 -6.541 -10.964 28 HG21 THR 4 HG21 THR 4 0.994 -7.415 -9.742 29 HG22 THR 4 HG22 THR 4 1.806 -6.472 -11.011 30 HG23 THR 4 HG23 THR 4 1.852 -5.912 -9.321 31 H ILE 5 H ILE 5 1.996 -8.883 -6.105 32 HA ILE 5 HA ILE 5 1.442 -11.624 -6.937 33 HB ILE 5 HB ILE 5 0.691 -12.071 -4.795 34 HG12 ILE 5 HG12 ILE 5 -0.845 -10.413 -4.170 35 HG13 ILE 5 HG13 ILE 5 0.395 -10.443 -2.964 36 HG21 ILE 5 HG21 ILE 5 3.122 -11.748 -5.032 37 HG22 ILE 5 HG22 ILE 5 2.937 -10.093 -4.374 38 HG23 ILE 5 HG23 ILE 5 2.536 -11.504 -3.390 39 HD11 ILE 5 HD11 ILE 5 -0.158 -8.149 -3.362 40 HD12 ILE 5 HD12 ILE 5 1.430 -8.402 -4.090 41 HD13 ILE 5 HD13 ILE 5 -0.036 -8.351 -5.114 42 H SER 6 H SER 6 -1.022 -12.357 -6.161 43 HA SER 6 HA SER 6 -2.665 -11.286 -8.242 44 HB2 SER 6 HB2 SER 6 -4.251 -12.903 -7.484 45 HB3 SER 6 HB3 SER 6 -2.678 -13.633 -7.158 46 HG SER 6 HG SER 6 -3.856 -13.872 -5.312 47 HA PRO 7 HA PRO 7 -4.450 -7.877 -6.183 48 HB2 PRO 7 HB2 PRO 7 -7.193 -7.981 -6.637 49 HB3 PRO 7 HB3 PRO 7 -5.955 -7.448 -7.813 50 HG2 PRO 7 HG2 PRO 7 -7.224 -10.185 -7.545 51 HG3 PRO 7 HG3 PRO 7 -6.939 -9.223 -9.034 52 HD2 PRO 7 HD2 PRO 7 -5.243 -11.208 -8.320 53 HD3 PRO 7 HD3 PRO 7 -4.619 -9.685 -9.004 54 H HIS 8 H HIS 8 -5.278 -11.042 -5.019 55 HA HIS 8 HA HIS 8 -6.468 -9.895 -2.538 56 HB2 HIS 8 HB2 HIS 8 -7.700 -11.583 -4.219 57 HB3 HIS 8 HB3 HIS 8 -6.811 -12.772 -3.279 58 HD1 HIS 8 HD1 HIS 8 -9.184 -9.772 -2.587 59 HD2 HIS 8 HD2 HIS 8 -8.176 -13.631 -1.231 60 HE1 HIS 8 HE1 HIS 8 -10.949 -10.419 -0.840 61 H ASP 9 H ASP 9 -3.744 -11.798 -3.744 62 HA ASP 9 HA ASP 9 -3.153 -13.279 -1.381 63 HB2 ASP 9 HB2 ASP 9 -1.779 -12.672 -3.865 64 HB3 ASP 9 HB3 ASP 9 -0.683 -12.367 -2.535 65 H ALA 10 H ALA 10 -2.736 -9.961 -2.171 66 HA ALA 10 HA ALA 10 -0.748 -9.027 -0.456 67 HB1 ALA 10 HB1 ALA 10 -3.374 -7.594 -1.115 68 HB2 ALA 10 HB2 ALA 10 -1.777 -6.883 -0.786 69 HB3 ALA 10 HB3 ALA 10 -2.055 -7.782 -2.280 70 H GLN 11 H GLN 11 -4.288 -9.140 0.190 71 HA GLN 11 HA GLN 11 -4.346 -8.243 2.788 72 HB2 GLN 11 HB2 GLN 11 -6.198 -8.750 1.087 73 HB3 GLN 11 HB3 GLN 11 -6.120 -10.404 1.599 74 HG2 GLN 11 HG2 GLN 11 -6.307 -8.387 3.829 75 HG3 GLN 11 HG3 GLN 11 -7.648 -8.429 2.716 76 HE21 GLN 11 HE21 GLN 11 -8.433 -9.008 5.197 77 HE22 GLN 11 HE22 GLN 11 -8.649 -10.715 5.445 78 H GLU 12 H GLU 12 -4.083 -11.563 1.605 79 HA GLU 12 HA GLU 12 -4.050 -12.868 4.131 80 HB2 GLU 12 HB2 GLU 12 -4.192 -13.838 1.684 81 HB3 GLU 12 HB3 GLU 12 -2.432 -13.878 1.782 82 HG2 GLU 12 HG2 GLU 12 -2.684 -15.143 3.967 83 HG3 GLU 12 HG3 GLU 12 -4.431 -15.136 3.727 84 H LEU 13 H LEU 13 -1.299 -11.388 2.307 85 HA LEU 13 HA LEU 13 0.637 -12.531 4.130 86 HB2 LEU 13 HB2 LEU 13 0.716 -10.257 2.126 87 HB3 LEU 13 HB3 LEU 13 2.117 -10.670 3.113 88 HG LEU 13 HG LEU 13 0.705 -12.818 1.472 89 HD11 LEU 13 HD11 LEU 13 1.205 -11.097 -0.083 90 HD12 LEU 13 HD12 LEU 13 2.382 -12.403 -0.310 91 HD13 LEU 13 HD13 LEU 13 2.879 -10.913 0.550 92 HD21 LEU 13 HD21 LEU 13 3.572 -12.521 2.463 93 HD22 LEU 13 HD22 LEU 13 2.890 -13.909 1.557 94 HD23 LEU 13 HD23 LEU 13 2.336 -13.554 3.195 95 H ILE 14 H ILE 14 -1.058 -9.421 3.921 96 HA ILE 14 HA ILE 14 0.203 -8.193 6.160 97 HB ILE 14 HB ILE 14 -2.536 -7.812 4.927 98 HG12 ILE 14 HG12 ILE 14 -0.205 -5.879 4.651 99 HG13 ILE 14 HG13 ILE 14 -0.184 -7.343 3.700 100 HG21 ILE 14 HG21 ILE 14 -1.017 -5.912 6.761 101 HG22 ILE 14 HG22 ILE 14 -2.576 -5.652 5.947 102 HG23 ILE 14 HG23 ILE 14 -2.442 -6.871 7.219 103 HD11 ILE 14 HD11 ILE 14 -2.326 -6.862 2.708 104 HD12 ILE 14 HD12 ILE 14 -2.521 -5.399 3.715 105 HD13 ILE 14 HD13 ILE 14 -1.226 -5.473 2.505 106 H ALA 15 H ALA 15 -2.724 -10.240 5.891 107 HA ALA 15 HA ALA 15 -3.433 -10.140 8.611 108 HB1 ALA 15 HB1 ALA 15 -3.807 -12.386 6.579 109 HB2 ALA 15 HB2 ALA 15 -4.618 -12.284 8.151 110 HB3 ALA 15 HB3 ALA 15 -4.936 -11.055 6.906 111 H ARG 16 H ARG 16 -1.160 -12.373 6.896 112 HA ARG 16 HA ARG 16 -0.604 -13.931 9.239 113 HB2 ARG 16 HB2 ARG 16 1.187 -13.493 6.792 114 HB3 ARG 16 HB3 ARG 16 1.446 -14.646 8.087 115 HG2 ARG 16 HG2 ARG 16 -0.692 -15.803 7.465 116 HG3 ARG 16 HG3 ARG 16 -0.972 -14.652 6.225 117 HD2 ARG 16 HD2 ARG 16 1.074 -15.189 5.041 118 HD3 ARG 16 HD3 ARG 16 1.594 -16.198 6.366 119 HE ARG 16 HE ARG 16 -0.085 -17.818 5.865 120 HH11 ARG 16 HH11 ARG 16 0.312 -15.333 3.306 121 HH12 ARG 16 HH12 ARG 16 -0.790 -16.153 2.218 122 HH21 ARG 16 HH21 ARG 16 -1.285 -18.992 4.193 123 HH22 ARG 16 HH22 ARG 16 -1.683 -18.132 2.741 124 H GLY 17 H GLY 17 0.916 -10.991 7.894 125 HA2 GLY 17 HA2 GLY 17 1.499 -9.865 10.402 126 HA3 GLY 17 HA3 GLY 17 2.912 -10.809 9.946 127 H ALA 18 H ALA 18 1.968 -9.856 6.948 128 HA ALA 18 HA ALA 18 3.981 -7.862 6.803 129 HB1 ALA 18 HB1 ALA 18 3.316 -9.373 4.935 130 HB2 ALA 18 HB2 ALA 18 1.825 -8.439 4.716 131 HB3 ALA 18 HB3 ALA 18 3.381 -7.676 4.455 132 H LYS 19 H LYS 19 3.419 -5.775 5.408 133 HA LYS 19 HA LYS 19 1.259 -4.208 6.741 134 HB2 LYS 19 HB2 LYS 19 4.179 -3.767 6.785 135 HB3 LYS 19 HB3 LYS 19 3.346 -2.364 6.156 136 HG2 LYS 19 HG2 LYS 19 2.787 -3.746 8.810 137 HG3 LYS 19 HG3 LYS 19 3.753 -2.276 8.614 138 HD2 LYS 19 HD2 LYS 19 1.886 -0.923 8.161 139 HD3 LYS 19 HD3 LYS 19 0.886 -2.277 7.614 140 HE2 LYS 19 HE2 LYS 19 0.915 -3.196 9.948 141 HE3 LYS 19 HE3 LYS 19 1.683 -1.698 10.490 142 HZ1 LYS 19 HZ1 LYS 19 -0.244 -0.502 9.986 143 HZ2 LYS 19 HZ2 LYS 19 -0.815 -1.862 10.654 144 HZ3 LYS 19 HZ3 LYS 19 -0.897 -1.696 9.025 145 H LEU 20 H LEU 20 0.829 -2.056 5.538 146 HA LEU 20 HA LEU 20 1.049 -2.366 2.593 147 HB2 LEU 20 HB2 LEU 20 -1.223 -2.892 3.971 148 HB3 LEU 20 HB3 LEU 20 -1.376 -1.184 3.908 149 HG LEU 20 HG LEU 20 -1.061 -2.920 1.436 150 HD11 LEU 20 HD11 LEU 20 -3.453 -2.542 1.163 151 HD12 LEU 20 HD12 LEU 20 -3.510 -1.531 2.620 152 HD13 LEU 20 HD13 LEU 20 -3.173 -3.263 2.759 153 HD21 LEU 20 HD21 LEU 20 -1.599 0.065 1.759 154 HD22 LEU 20 HD22 LEU 20 -1.942 -0.848 0.279 155 HD23 LEU 20 HD23 LEU 20 -0.286 -0.730 0.851 156 H ILE 21 H ILE 21 1.877 -0.490 1.709 157 HA ILE 21 HA ILE 21 1.750 2.042 3.288 158 HB ILE 21 HB ILE 21 4.019 0.562 1.968 159 HG12 ILE 21 HG12 ILE 21 5.344 1.480 3.787 160 HG13 ILE 21 HG13 ILE 21 3.979 2.412 4.390 161 HG21 ILE 21 HG21 ILE 21 3.812 3.577 1.914 162 HG22 ILE 21 HG22 ILE 21 5.372 2.707 1.867 163 HG23 ILE 21 HG23 ILE 21 4.170 2.459 0.614 164 HD11 ILE 21 HD11 ILE 21 2.967 0.537 5.319 165 HD12 ILE 21 HD12 ILE 21 3.775 -0.600 4.196 166 HD13 ILE 21 HD13 ILE 21 4.676 0.150 5.517 167 H ASP 22 H ASP 22 0.587 3.475 2.395 168 HA ASP 22 HA ASP 22 -0.400 3.364 -0.348 169 HB2 ASP 22 HB2 ASP 22 -0.809 5.264 2.003 170 HB3 ASP 22 HB3 ASP 22 -1.465 5.568 0.433 171 H ILE 23 H ILE 23 1.495 3.702 -1.608 172 HA ILE 23 HA ILE 23 3.222 6.001 -1.192 173 HB ILE 23 HB ILE 23 4.316 5.249 -3.206 174 HG12 ILE 23 HG12 ILE 23 2.480 2.825 -3.425 175 HG13 ILE 23 HG13 ILE 23 2.040 4.298 -4.268 176 HG21 ILE 23 HG21 ILE 23 3.732 2.725 -1.601 177 HG22 ILE 23 HG22 ILE 23 5.265 3.269 -2.325 178 HG23 ILE 23 HG23 ILE 23 4.610 4.080 -0.902 179 HD11 ILE 23 HD11 ILE 23 3.335 2.765 -5.678 180 HD12 ILE 23 HD12 ILE 23 4.156 4.325 -5.462 181 HD13 ILE 23 HD13 ILE 23 4.705 2.878 -4.565 182 H ARG 24 H ARG 24 0.666 6.976 -1.333 183 HA ARG 24 HA ARG 24 0.529 8.355 -3.996 184 HB2 ARG 24 HB2 ARG 24 -1.995 8.519 -3.439 185 HB3 ARG 24 HB3 ARG 24 -1.349 6.991 -3.991 186 HG2 ARG 24 HG2 ARG 24 -1.455 5.903 -2.091 187 HG3 ARG 24 HG3 ARG 24 -1.506 7.354 -1.047 188 HD2 ARG 24 HD2 ARG 24 -3.740 7.771 -1.438 189 HD3 ARG 24 HD3 ARG 24 -3.716 7.022 -3.050 190 HE ARG 24 HE ARG 24 -3.183 4.945 -1.485 191 HH11 ARG 24 HH11 ARG 24 -5.909 7.127 -1.985 192 HH12 ARG 24 HH12 ARG 24 -7.083 6.070 -1.228 193 HH21 ARG 24 HH21 ARG 24 -4.647 3.759 -0.138 194 HH22 ARG 24 HH22 ARG 24 -6.358 4.102 -0.187 195 H ASP 25 H ASP 25 -1.633 9.368 -1.499 196 HA ASP 25 HA ASP 25 0.007 11.768 -0.885 197 HB2 ASP 25 HB2 ASP 25 -2.578 11.652 -2.431 198 HB3 ASP 25 HB3 ASP 25 -2.466 12.886 -1.199 199 H ALA 26 H ALA 26 -0.524 12.786 1.045 200 HA ALA 26 HA ALA 26 -1.785 11.176 3.081 201 HB1 ALA 26 HB1 ALA 26 -0.888 14.099 3.113 202 HB2 ALA 26 HB2 ALA 26 -1.261 13.095 4.529 203 HB3 ALA 26 HB3 ALA 26 0.142 12.702 3.512 204 H ASP 27 H ASP 27 -2.869 13.732 0.955 205 HA ASP 27 HA ASP 27 -5.141 14.678 2.391 206 HB2 ASP 27 HB2 ASP 27 -4.724 14.399 -0.620 207 HB3 ASP 27 HB3 ASP 27 -6.049 15.289 0.128 208 H GLU 28 H GLU 28 -4.605 11.724 0.581 209 HA GLU 28 HA GLU 28 -7.395 11.023 0.261 210 HB2 GLU 28 HB2 GLU 28 -4.894 9.304 -0.029 211 HB3 GLU 28 HB3 GLU 28 -6.531 8.951 -0.612 212 HG2 GLU 28 HG2 GLU 28 -6.402 11.123 -1.939 213 HG3 GLU 28 HG3 GLU 28 -4.691 11.226 -1.513 214 H TYR 29 H TYR 29 -4.711 10.000 2.326 215 HA TYR 29 HA TYR 29 -5.910 7.987 3.879 216 HB2 TYR 29 HB2 TYR 29 -3.557 8.335 3.921 217 HB3 TYR 29 HB3 TYR 29 -3.706 10.026 4.344 218 HD1 TYR 29 HD1 TYR 29 -3.964 10.778 6.648 219 HD2 TYR 29 HD2 TYR 29 -3.864 6.593 5.651 220 HE1 TYR 29 HE1 TYR 29 -3.558 10.224 9.024 221 HE2 TYR 29 HE2 TYR 29 -3.475 6.013 8.005 222 HH TYR 29 HH TYR 29 -2.981 6.823 10.097 223 H LEU 30 H LEU 30 -6.135 11.502 4.167 224 HA LEU 30 HA LEU 30 -7.323 11.539 6.783 225 HB2 LEU 30 HB2 LEU 30 -7.235 13.460 4.421 226 HB3 LEU 30 HB3 LEU 30 -8.157 13.852 5.851 227 HG LEU 30 HG LEU 30 -5.175 13.187 5.903 228 HD11 LEU 30 HD11 LEU 30 -4.790 15.607 6.119 229 HD12 LEU 30 HD12 LEU 30 -6.533 15.918 5.920 230 HD13 LEU 30 HD13 LEU 30 -5.582 15.227 4.588 231 HD21 LEU 30 HD21 LEU 30 -6.984 14.489 7.994 232 HD22 LEU 30 HD22 LEU 30 -5.222 14.269 8.113 233 HD23 LEU 30 HD23 LEU 30 -6.272 12.862 8.094 234 H ARG 31 H ARG 31 -8.683 11.004 3.625 235 HA ARG 31 HA ARG 31 -11.447 11.464 4.567 236 HB2 ARG 31 HB2 ARG 31 -10.365 10.652 1.826 237 HB3 ARG 31 HB3 ARG 31 -12.082 10.856 2.229 238 HG2 ARG 31 HG2 ARG 31 -11.499 13.161 3.088 239 HG3 ARG 31 HG3 ARG 31 -9.906 12.983 2.360 240 HD2 ARG 31 HD2 ARG 31 -12.517 12.723 0.806 241 HD3 ARG 31 HD3 ARG 31 -11.697 14.261 1.046 242 HE ARG 31 HE ARG 31 -9.707 13.312 -0.055 243 HH11 ARG 31 HH11 ARG 31 -12.880 11.911 -0.909 244 HH12 ARG 31 HH12 ARG 31 -12.626 12.069 -2.622 245 HH21 ARG 31 HH21 ARG 31 -9.234 13.079 -2.381 246 HH22 ARG 31 HH22 ARG 31 -10.495 12.600 -3.421 247 H GLU 32 H GLU 32 -10.008 8.679 2.851 248 HA GLU 32 HA GLU 32 -10.808 6.746 4.783 249 HB2 GLU 32 HB2 GLU 32 -12.566 5.602 3.453 250 HB3 GLU 32 HB3 GLU 32 -13.048 7.088 4.253 251 HG2 GLU 32 HG2 GLU 32 -12.655 8.186 1.880 252 HG3 GLU 32 HG3 GLU 32 -12.725 6.535 1.307 253 H HIS 33 H HIS 33 -9.547 5.005 4.429 254 HA HIS 33 HA HIS 33 -8.761 4.219 1.737 255 HB2 HIS 33 HB2 HIS 33 -6.437 4.441 2.070 256 HB3 HIS 33 HB3 HIS 33 -7.098 5.962 2.618 257 HD1 HIS 33 HD1 HIS 33 -4.327 4.076 3.572 258 HD2 HIS 33 HD2 HIS 33 -7.785 5.314 5.685 259 HE1 HIS 33 HE1 HIS 33 -3.813 3.841 6.026 260 H ILE 34 H ILE 34 -6.777 2.225 2.591 261 HA ILE 34 HA ILE 34 -8.560 0.168 3.622 262 HB ILE 34 HB ILE 34 -5.556 0.134 3.070 263 HG12 ILE 34 HG12 ILE 34 -7.869 -0.892 1.366 264 HG13 ILE 34 HG13 ILE 34 -7.010 0.603 1.057 265 HG21 ILE 34 HG21 ILE 34 -5.671 -2.318 3.125 266 HG22 ILE 34 HG22 ILE 34 -6.177 -1.675 4.650 267 HG23 ILE 34 HG23 ILE 34 -7.392 -2.250 3.496 268 HD11 ILE 34 HD11 ILE 34 -5.741 -2.145 1.011 269 HD12 ILE 34 HD12 ILE 34 -6.154 -1.179 -0.384 270 HD13 ILE 34 HD13 ILE 34 -4.903 -0.598 0.735 271 HA PRO 35 HA PRO 35 -7.418 1.058 7.847 272 HB2 PRO 35 HB2 PRO 35 -8.175 -1.224 9.157 273 HB3 PRO 35 HB3 PRO 35 -9.362 -0.056 8.499 274 HG2 PRO 35 HG2 PRO 35 -8.355 -2.622 7.231 275 HG3 PRO 35 HG3 PRO 35 -10.054 -2.052 7.388 276 HD2 PRO 35 HD2 PRO 35 -8.614 -1.730 5.122 277 HD3 PRO 35 HD3 PRO 35 -9.715 -0.461 5.651 278 H GLU 36 H GLU 36 -6.243 -2.043 6.557 279 HA GLU 36 HA GLU 36 -4.276 -2.465 8.589 280 HB2 GLU 36 HB2 GLU 36 -4.465 -3.533 5.747 281 HB3 GLU 36 HB3 GLU 36 -3.364 -4.081 7.020 282 HG2 GLU 36 HG2 GLU 36 -5.456 -4.464 8.468 283 HG3 GLU 36 HG3 GLU 36 -6.401 -4.218 7.024 284 H ALA 37 H ALA 37 -4.326 -0.241 5.962 285 HA ALA 37 HA ALA 37 -1.409 -0.075 5.715 286 HB1 ALA 37 HB1 ALA 37 -3.476 1.847 4.571 287 HB2 ALA 37 HB2 ALA 37 -1.852 1.453 3.952 288 HB3 ALA 37 HB3 ALA 37 -3.162 0.284 3.804 289 H ASP 38 H ASP 38 -0.462 2.294 5.850 290 HA ASP 38 HA ASP 38 -1.671 3.688 8.194 291 HB2 ASP 38 HB2 ASP 38 0.363 2.189 8.667 292 HB3 ASP 38 HB3 ASP 38 1.304 3.335 7.756 293 H LEU 39 H LEU 39 1.214 4.871 6.865 294 HA LEU 39 HA LEU 39 0.116 6.236 4.534 295 HB2 LEU 39 HB2 LEU 39 -0.915 7.597 6.336 296 HB3 LEU 39 HB3 LEU 39 0.665 7.805 7.096 297 HG LEU 39 HG LEU 39 1.464 9.087 5.139 298 HD11 LEU 39 HD11 LEU 39 -0.104 9.813 3.380 299 HD12 LEU 39 HD12 LEU 39 -1.378 8.797 4.080 300 HD13 LEU 39 HD13 LEU 39 0.054 8.063 3.343 301 HD21 LEU 39 HD21 LEU 39 0.514 10.305 6.959 302 HD22 LEU 39 HD22 LEU 39 -1.143 10.068 6.343 303 HD23 LEU 39 HD23 LEU 39 0.012 11.082 5.459 304 H ALA 40 H ALA 40 1.799 6.542 3.177 305 HA ALA 40 HA ALA 40 4.355 7.531 3.992 306 HB1 ALA 40 HB1 ALA 40 3.974 4.589 3.814 307 HB2 ALA 40 HB2 ALA 40 5.413 5.214 2.989 308 HB3 ALA 40 HB3 ALA 40 5.154 5.533 4.718 309 HA PRO 41 HA PRO 41 2.809 8.072 -0.359 310 HB2 PRO 41 HB2 PRO 41 2.782 10.814 -0.457 311 HB3 PRO 41 HB3 PRO 41 1.422 9.825 0.188 312 HG2 PRO 41 HG2 PRO 41 3.580 11.263 1.698 313 HG3 PRO 41 HG3 PRO 41 1.834 11.178 2.073 314 HD2 PRO 41 HD2 PRO 41 3.752 9.623 3.281 315 HD3 PRO 41 HD3 PRO 41 2.069 9.069 3.032 316 H LEU 42 H LEU 42 4.113 8.472 -2.158 317 HA LEU 42 HA LEU 42 6.792 8.218 -1.889 318 HB2 LEU 42 HB2 LEU 42 5.114 8.277 -4.011 319 HB3 LEU 42 HB3 LEU 42 5.945 9.762 -4.282 320 HG LEU 42 HG LEU 42 7.485 8.682 -5.363 321 HD11 LEU 42 HD11 LEU 42 8.823 8.790 -3.238 322 HD12 LEU 42 HD12 LEU 42 9.285 7.512 -4.348 323 HD13 LEU 42 HD13 LEU 42 8.349 7.119 -2.895 324 HD21 LEU 42 HD21 LEU 42 5.874 6.860 -5.637 325 HD22 LEU 42 HD22 LEU 42 6.386 6.173 -4.085 326 HD23 LEU 42 HD23 LEU 42 7.514 6.189 -5.479 327 H SER 43 H SER 43 5.030 11.336 -2.343 328 HA SER 43 HA SER 43 7.171 13.041 -2.633 329 HB2 SER 43 HB2 SER 43 4.599 13.615 -1.104 330 HB3 SER 43 HB3 SER 43 5.617 14.770 -1.983 331 HG SER 43 HG SER 43 3.948 14.231 -3.322 332 H VAL 44 H VAL 44 6.035 11.521 0.404 333 HA VAL 44 HA VAL 44 7.817 13.277 2.006 334 HB VAL 44 HB VAL 44 5.807 11.131 2.794 335 HG11 VAL 44 HG11 VAL 44 7.537 11.364 4.543 336 HG12 VAL 44 HG12 VAL 44 7.349 13.122 4.509 337 HG13 VAL 44 HG13 VAL 44 6.016 12.105 5.079 338 HG21 VAL 44 HG21 VAL 44 5.667 14.179 2.898 339 HG22 VAL 44 HG22 VAL 44 4.729 13.157 1.805 340 HG23 VAL 44 HG23 VAL 44 4.440 13.067 3.542 341 H LEU 45 H LEU 45 7.505 9.955 0.787 342 HA LEU 45 HA LEU 45 9.615 8.804 2.350 343 HB2 LEU 45 HB2 LEU 45 8.439 8.140 -0.390 344 HB3 LEU 45 HB3 LEU 45 9.762 7.266 0.289 345 HG LEU 45 HG LEU 45 6.859 7.250 0.991 346 HD11 LEU 45 HD11 LEU 45 7.137 4.906 1.169 347 HD12 LEU 45 HD12 LEU 45 8.856 5.042 1.539 348 HD13 LEU 45 HD13 LEU 45 8.310 5.352 -0.104 349 HD21 LEU 45 HD21 LEU 45 7.209 6.366 3.291 350 HD22 LEU 45 HD22 LEU 45 7.579 8.079 3.115 351 HD23 LEU 45 HD23 LEU 45 8.894 6.862 3.180 352 H GLU 46 H GLU 46 9.601 10.189 -0.903 353 HA GLU 46 HA GLU 46 12.290 9.982 -1.503 354 HB2 GLU 46 HB2 GLU 46 10.156 11.947 -2.284 355 HB3 GLU 46 HB3 GLU 46 11.815 12.250 -2.807 356 HG2 GLU 46 HG2 GLU 46 10.759 9.461 -3.095 357 HG3 GLU 46 HG3 GLU 46 10.159 10.640 -4.237 358 H GLN 47 H GLN 47 10.724 12.265 0.688 359 HA GLN 47 HA GLN 47 13.017 14.045 0.976 360 HB2 GLN 47 HB2 GLN 47 10.263 13.858 2.236 361 HB3 GLN 47 HB3 GLN 47 11.502 14.895 2.917 362 HG2 GLN 47 HG2 GLN 47 11.723 16.095 0.778 363 HG3 GLN 47 HG3 GLN 47 10.531 15.020 0.027 364 HE21 GLN 47 HE21 GLN 47 8.290 15.330 0.524 365 HE22 GLN 47 HE22 GLN 47 7.735 16.791 1.317 366 H SER 48 H SER 48 11.356 11.751 3.187 367 HA SER 48 HA SER 48 13.821 11.821 4.904 368 HB2 SER 48 HB2 SER 48 11.262 12.577 5.580 369 HB3 SER 48 HB3 SER 48 11.283 10.901 6.148 370 HG SER 48 HG SER 48 12.867 11.362 7.518 371 H GLY 49 H GLY 49 11.387 9.581 3.593 372 HA2 GLY 49 HA2 GLY 49 12.135 7.387 2.877 373 HA3 GLY 49 HA3 GLY 49 13.173 7.313 4.314 374 H LEU 50 H LEU 50 11.827 5.204 4.386 375 HA LEU 50 HA LEU 50 9.058 5.425 5.298 376 HB2 LEU 50 HB2 LEU 50 10.035 3.510 3.929 377 HB3 LEU 50 HB3 LEU 50 10.970 3.050 5.349 378 HG LEU 50 HG LEU 50 8.763 2.766 6.587 379 HD11 LEU 50 HD11 LEU 50 7.550 2.892 3.782 380 HD12 LEU 50 HD12 LEU 50 7.323 4.148 5.006 381 HD13 LEU 50 HD13 LEU 50 6.719 2.518 5.310 382 HD21 LEU 50 HD21 LEU 50 8.271 0.589 5.505 383 HD22 LEU 50 HD22 LEU 50 10.020 0.854 5.595 384 HD23 LEU 50 HD23 LEU 50 9.159 1.087 4.062 385 HA PRO 51 HA PRO 51 10.448 6.009 9.526 386 HB2 PRO 51 HB2 PRO 51 8.163 5.632 10.963 387 HB3 PRO 51 HB3 PRO 51 8.388 7.052 9.877 388 HG2 PRO 51 HG2 PRO 51 6.932 4.455 9.350 389 HG3 PRO 51 HG3 PRO 51 6.368 6.112 8.997 390 HD2 PRO 51 HD2 PRO 51 7.531 4.462 7.150 391 HD3 PRO 51 HD3 PRO 51 7.714 6.219 7.052 392 H ALA 52 H ALA 52 10.911 4.895 11.454 393 HA ALA 52 HA ALA 52 11.516 2.203 11.325 394 HB1 ALA 52 HB1 ALA 52 12.532 3.934 12.823 395 HB2 ALA 52 HB2 ALA 52 11.086 3.837 13.856 396 HB3 ALA 52 HB3 ALA 52 12.141 2.430 13.656 397 H LYS 53 H LYS 53 8.403 3.414 11.801 398 HA LYS 53 HA LYS 53 7.362 1.223 13.502 399 HB2 LYS 53 HB2 LYS 53 5.954 3.591 12.177 400 HB3 LYS 53 HB3 LYS 53 5.262 2.506 13.374 401 HG2 LYS 53 HG2 LYS 53 7.558 4.472 13.843 402 HG3 LYS 53 HG3 LYS 53 5.892 4.656 14.358 403 HD2 LYS 53 HD2 LYS 53 6.212 2.415 15.624 404 HD3 LYS 53 HD3 LYS 53 7.956 2.698 15.372 405 HE2 LYS 53 HE2 LYS 53 7.578 5.012 16.424 406 HE3 LYS 53 HE3 LYS 53 5.935 4.483 16.792 407 HZ1 LYS 53 HZ1 LYS 53 7.251 4.090 18.698 408 HZ2 LYS 53 HZ2 LYS 53 8.446 3.377 17.832 409 HZ3 LYS 53 HZ3 LYS 53 7.027 2.587 18.015 410 H LEU 54 H LEU 54 7.188 2.430 10.141 411 HA LEU 54 HA LEU 54 5.328 0.229 9.425 412 HB2 LEU 54 HB2 LEU 54 6.357 2.576 7.805 413 HB3 LEU 54 HB3 LEU 54 5.104 1.447 7.301 414 HG LEU 54 HG LEU 54 4.903 3.325 9.678 415 HD11 LEU 54 HD11 LEU 54 3.535 3.401 6.952 416 HD12 LEU 54 HD12 LEU 54 4.853 4.466 7.471 417 HD13 LEU 54 HD13 LEU 54 3.299 4.552 8.293 418 HD21 LEU 54 HD21 LEU 54 2.585 2.629 9.819 419 HD22 LEU 54 HD22 LEU 54 3.616 1.261 10.083 420 HD23 LEU 54 HD23 LEU 54 2.815 1.445 8.502 421 H ARG 55 H ARG 55 8.563 0.427 9.583 422 HA ARG 55 HA ARG 55 9.243 -0.790 7.037 423 HB2 ARG 55 HB2 ARG 55 11.469 -0.618 7.616 424 HB3 ARG 55 HB3 ARG 55 10.722 0.890 8.133 425 HG2 ARG 55 HG2 ARG 55 11.030 0.489 10.370 426 HG3 ARG 55 HG3 ARG 55 11.007 -1.253 10.239 427 HD2 ARG 55 HD2 ARG 55 13.113 -1.187 8.930 428 HD3 ARG 55 HD3 ARG 55 13.239 0.557 9.232 429 HE ARG 55 HE ARG 55 12.970 -0.512 11.747 430 HH11 ARG 55 HH11 ARG 55 15.215 -1.198 9.089 431 HH12 ARG 55 HH12 ARG 55 16.346 -2.063 10.070 432 HH21 ARG 55 HH21 ARG 55 14.293 -1.795 12.978 433 HH22 ARG 55 HH22 ARG 55 15.819 -2.386 12.384 434 H HIS 56 H HIS 56 7.449 -2.207 8.286 435 HA HIS 56 HA HIS 56 8.241 -4.443 9.833 436 HB2 HIS 56 HB2 HIS 56 5.846 -3.717 8.866 437 HB3 HIS 56 HB3 HIS 56 6.205 -4.974 7.688 438 HD1 HIS 56 HD1 HIS 56 4.838 -4.480 11.072 439 HD2 HIS 56 HD2 HIS 56 6.795 -7.546 8.927 440 HE1 HIS 56 HE1 HIS 56 4.546 -6.622 12.409 441 H GLU 57 H GLU 57 8.720 -6.613 9.256 442 HA GLU 57 HA GLU 57 10.823 -7.057 7.525 443 HB2 GLU 57 HB2 GLU 57 8.756 -9.164 8.278 444 HB3 GLU 57 HB3 GLU 57 10.430 -9.455 7.823 445 HG2 GLU 57 HG2 GLU 57 9.484 -8.097 10.382 446 HG3 GLU 57 HG3 GLU 57 9.992 -9.768 10.210 447 H GLN 58 H GLN 58 7.386 -7.084 6.639 448 HA GLN 58 HA GLN 58 8.094 -7.346 3.839 449 HB2 GLN 58 HB2 GLN 58 5.912 -9.107 5.054 450 HB3 GLN 58 HB3 GLN 58 6.505 -9.136 3.401 451 HG2 GLN 58 HG2 GLN 58 8.585 -10.236 4.112 452 HG3 GLN 58 HG3 GLN 58 8.135 -10.055 5.805 453 HE21 GLN 58 HE21 GLN 58 7.695 -12.052 2.942 454 HE22 GLN 58 HE22 GLN 58 6.617 -13.194 3.710 455 H ILE 59 H ILE 59 6.994 -5.881 2.716 456 HA ILE 59 HA ILE 59 4.423 -4.977 3.811 457 HB ILE 59 HB ILE 59 4.908 -2.777 3.827 458 HG12 ILE 59 HG12 ILE 59 7.467 -3.238 2.279 459 HG13 ILE 59 HG13 ILE 59 5.985 -2.536 1.633 460 HG21 ILE 59 HG21 ILE 59 6.067 -3.969 5.695 461 HG22 ILE 59 HG22 ILE 59 7.577 -3.826 4.789 462 HG23 ILE 59 HG23 ILE 59 6.723 -2.379 5.356 463 HD11 ILE 59 HD11 ILE 59 6.163 -0.649 3.221 464 HD12 ILE 59 HD12 ILE 59 7.769 -1.252 3.706 465 HD13 ILE 59 HD13 ILE 59 7.475 -0.753 2.037 466 H ILE 60 H ILE 60 3.315 -3.574 2.107 467 HA ILE 60 HA ILE 60 3.987 -4.476 -0.662 468 HB ILE 60 HB ILE 60 1.210 -4.523 0.576 469 HG12 ILE 60 HG12 ILE 60 2.351 -7.111 -0.386 470 HG13 ILE 60 HG13 ILE 60 3.071 -6.521 1.087 471 HG21 ILE 60 HG21 ILE 60 2.226 -5.468 -2.148 472 HG22 ILE 60 HG22 ILE 60 0.606 -5.774 -1.513 473 HG23 ILE 60 HG23 ILE 60 1.132 -4.111 -1.832 474 HD11 ILE 60 HD11 ILE 60 1.229 -7.983 1.566 475 HD12 ILE 60 HD12 ILE 60 0.934 -6.328 2.140 476 HD13 ILE 60 HD13 ILE 60 0.113 -6.920 0.674 477 H PHE 61 H PHE 61 3.484 -2.988 -2.251 478 HA PHE 61 HA PHE 61 2.702 -0.262 -1.319 479 HB2 PHE 61 HB2 PHE 61 4.222 -1.158 -3.796 480 HB3 PHE 61 HB3 PHE 61 3.832 0.494 -3.367 481 HD1 PHE 61 HD1 PHE 61 4.552 0.587 -0.459 482 HD2 PHE 61 HD2 PHE 61 6.594 -1.304 -3.756 483 HE1 PHE 61 HE1 PHE 61 6.754 0.925 0.680 484 HE2 PHE 61 HE2 PHE 61 8.752 -0.920 -2.632 485 HZ PHE 61 HZ PHE 61 8.817 0.172 -0.412 486 H HIS 62 H HIS 62 0.999 0.734 -2.324 487 HA HIS 62 HA HIS 62 -0.418 -0.508 -4.600 488 HB2 HIS 62 HB2 HIS 62 -1.587 0.198 -1.877 489 HB3 HIS 62 HB3 HIS 62 -2.567 0.069 -3.344 490 HD1 HIS 62 HD1 HIS 62 -0.118 -2.752 -2.989 491 HD2 HIS 62 HD2 HIS 62 -4.018 -1.681 -1.762 492 HE1 HIS 62 HE1 HIS 62 -1.262 -4.877 -2.108 493 H CYS 63 H CYS 63 -1.780 1.179 -5.616 494 HA CYS 63 HA CYS 63 -1.190 3.985 -4.781 495 HB2 CYS 63 HB2 CYS 63 -1.461 2.854 -7.587 496 HB3 CYS 63 HB3 CYS 63 -1.112 4.543 -7.160 497 HG CYS 63 HG CYS 63 1.002 3.277 -8.176 498 H GLN 64 H GLN 64 -2.867 5.526 -5.707 499 HA GLN 64 HA GLN 64 -5.473 4.706 -4.993 500 HB2 GLN 64 HB2 GLN 64 -4.817 7.001 -4.858 501 HB3 GLN 64 HB3 GLN 64 -4.458 7.093 -6.575 502 HG2 GLN 64 HG2 GLN 64 -6.595 8.190 -5.816 503 HG3 GLN 64 HG3 GLN 64 -6.735 7.088 -7.184 504 HE21 GLN 64 HE21 GLN 64 -8.715 5.978 -7.082 505 HE22 GLN 64 HE22 GLN 64 -9.395 5.442 -5.540 506 H ALA 65 H ALA 65 -3.981 5.177 -8.226 507 HA ALA 65 HA ALA 65 -5.850 3.201 -9.348 508 HB1 ALA 65 HB1 ALA 65 -5.641 6.025 -10.455 509 HB2 ALA 65 HB2 ALA 65 -6.560 4.671 -11.166 510 HB3 ALA 65 HB3 ALA 65 -7.027 5.303 -9.588 511 H GLY 66 H GLY 66 -2.808 3.784 -8.860 512 HA2 GLY 66 HA2 GLY 66 -1.734 3.520 -11.602 513 HA3 GLY 66 HA3 GLY 66 -0.814 3.761 -10.102 514 H LYS 67 H LYS 67 -0.948 1.637 -12.388 515 HA LYS 67 HA LYS 67 -0.869 -0.747 -10.586 516 HB2 LYS 67 HB2 LYS 67 -1.451 -2.039 -12.576 517 HB3 LYS 67 HB3 LYS 67 -2.707 -0.940 -11.981 518 HG2 LYS 67 HG2 LYS 67 -2.194 0.628 -13.863 519 HG3 LYS 67 HG3 LYS 67 -0.955 -0.511 -14.440 520 HD2 LYS 67 HD2 LYS 67 -2.709 -2.260 -14.689 521 HD3 LYS 67 HD3 LYS 67 -3.926 -1.149 -14.081 522 HE2 LYS 67 HE2 LYS 67 -4.067 -1.337 -16.501 523 HE3 LYS 67 HE3 LYS 67 -3.659 0.312 -16.026 524 HZ1 LYS 67 HZ1 LYS 67 -1.627 -1.664 -16.867 525 HZ2 LYS 67 HZ2 LYS 67 -1.435 -0.023 -16.716 526 HZ3 LYS 67 HZ3 LYS 67 -2.355 -0.659 -17.920 527 H ARG 68 H ARG 68 1.222 1.182 -12.520 528 HA ARG 68 HA ARG 68 2.856 -1.086 -13.403 529 HB2 ARG 68 HB2 ARG 68 3.334 1.920 -13.254 530 HB3 ARG 68 HB3 ARG 68 4.679 0.821 -13.528 531 HG2 ARG 68 HG2 ARG 68 2.229 1.051 -15.329 532 HG3 ARG 68 HG3 ARG 68 3.843 1.721 -15.628 533 HD2 ARG 68 HD2 ARG 68 4.702 -0.717 -15.337 534 HD3 ARG 68 HD3 ARG 68 3.005 -1.186 -15.543 535 HE ARG 68 HE ARG 68 4.010 0.566 -17.646 536 HH11 ARG 68 HH11 ARG 68 3.661 -2.801 -16.542 537 HH12 ARG 68 HH12 ARG 68 4.152 -3.499 -18.031 538 HH21 ARG 68 HH21 ARG 68 4.626 -0.396 -19.698 539 HH22 ARG 68 HH22 ARG 68 4.672 -2.128 -19.849 540 H THR 69 H THR 69 3.086 1.285 -10.801 541 HA THR 69 HA THR 69 4.237 1.364 -8.809 542 HB THR 69 HB THR 69 4.167 -0.992 -7.659 543 HG1 THR 69 HG1 THR 69 3.331 -1.928 -9.790 544 HG21 THR 69 HG21 THR 69 2.882 0.989 -7.032 545 HG22 THR 69 HG22 THR 69 1.897 -0.480 -6.912 546 HG23 THR 69 HG23 THR 69 1.680 0.613 -8.300 547 H SER 70 H SER 70 5.825 -0.315 -11.280 548 HA SER 70 HA SER 70 8.276 -0.816 -9.777 549 HB2 SER 70 HB2 SER 70 8.905 -1.603 -12.123 550 HB3 SER 70 HB3 SER 70 7.569 -2.462 -11.356 551 HG SER 70 HG SER 70 7.317 -1.709 -13.621 552 H ASN 71 H ASN 71 6.834 1.789 -11.439 553 HA ASN 71 HA ASN 71 9.112 2.710 -12.933 554 HB2 ASN 71 HB2 ASN 71 6.692 4.286 -12.017 555 HB3 ASN 71 HB3 ASN 71 8.021 5.022 -12.874 556 HD21 ASN 71 HD21 ASN 71 5.085 4.300 -13.692 557 HD22 ASN 71 HD22 ASN 71 5.361 3.631 -15.300 558 H ASN 72 H ASN 72 8.819 2.707 -9.587 559 HA ASN 72 HA ASN 72 11.231 4.444 -9.400 560 HB2 ASN 72 HB2 ASN 72 8.682 4.615 -7.758 561 HB3 ASN 72 HB3 ASN 72 10.228 5.073 -7.047 562 HD21 ASN 72 HD21 ASN 72 7.858 6.784 -7.714 563 HD22 ASN 72 HD22 ASN 72 8.758 8.115 -8.392 564 H ALA 73 H ALA 73 10.477 1.434 -9.462 565 HA ALA 73 HA ALA 73 10.742 0.028 -7.195 566 HB1 ALA 73 HB1 ALA 73 10.444 -0.969 -9.382 567 HB2 ALA 73 HB2 ALA 73 12.049 -0.414 -9.905 568 HB3 ALA 73 HB3 ALA 73 11.901 -1.651 -8.652 569 H ASP 74 H ASP 74 13.536 1.565 -8.900 570 HA ASP 74 HA ASP 74 15.540 0.293 -7.486 571 HB2 ASP 74 HB2 ASP 74 15.193 2.802 -9.138 572 HB3 ASP 74 HB3 ASP 74 16.710 2.423 -8.386 573 H LYS 75 H LYS 75 13.594 3.062 -6.619 574 HA LYS 75 HA LYS 75 15.359 3.577 -4.246 575 HB2 LYS 75 HB2 LYS 75 12.890 5.125 -4.862 576 HB3 LYS 75 HB3 LYS 75 14.275 5.600 -3.902 577 HG2 LYS 75 HG2 LYS 75 14.831 6.881 -5.632 578 HG3 LYS 75 HG3 LYS 75 15.414 5.412 -6.407 579 HD2 LYS 75 HD2 LYS 75 12.502 5.632 -6.798 580 HD3 LYS 75 HD3 LYS 75 13.276 7.189 -7.178 581 HE2 LYS 75 HE2 LYS 75 14.971 5.563 -8.451 582 HE3 LYS 75 HE3 LYS 75 13.570 4.478 -8.396 583 HZ1 LYS 75 HZ1 LYS 75 13.707 7.190 -9.589 584 HZ2 LYS 75 HZ2 LYS 75 12.308 6.365 -9.495 585 HZ3 LYS 75 HZ3 LYS 75 13.565 5.794 -10.428 586 H LEU 76 H LEU 76 11.984 3.039 -5.248 587 HA LEU 76 HA LEU 76 10.746 2.727 -2.807 588 HB2 LEU 76 HB2 LEU 76 10.239 1.200 -5.392 589 HB3 LEU 76 HB3 LEU 76 9.205 1.009 -3.991 590 HG LEU 76 HG LEU 76 9.680 3.619 -5.452 591 HD11 LEU 76 HD11 LEU 76 7.264 3.373 -6.174 592 HD12 LEU 76 HD12 LEU 76 7.237 1.796 -5.405 593 HD13 LEU 76 HD13 LEU 76 8.277 2.070 -6.802 594 HD21 LEU 76 HD21 LEU 76 7.860 2.868 -3.105 595 HD22 LEU 76 HD22 LEU 76 7.697 4.366 -4.019 596 HD23 LEU 76 HD23 LEU 76 9.164 4.075 -3.090 597 H ALA 77 H ALA 77 12.503 0.093 -4.480 598 HA ALA 77 HA ALA 77 11.972 -1.965 -2.588 599 HB1 ALA 77 HB1 ALA 77 12.920 -2.443 -4.767 600 HB2 ALA 77 HB2 ALA 77 14.381 -1.505 -4.391 601 HB3 ALA 77 HB3 ALA 77 14.028 -2.991 -3.494 602 H ALA 78 H ALA 78 14.772 0.277 -2.922 603 HA ALA 78 HA ALA 78 16.172 -0.535 -0.624 604 HB1 ALA 78 HB1 ALA 78 16.241 2.126 -2.084 605 HB2 ALA 78 HB2 ALA 78 17.468 1.526 -0.954 606 HB3 ALA 78 HB3 ALA 78 17.184 0.659 -2.476 607 H ILE 79 H ILE 79 13.806 2.117 -0.968 608 HA ILE 79 HA ILE 79 14.189 3.348 1.539 609 HB ILE 79 HB ILE 79 11.791 3.168 -0.338 610 HG12 ILE 79 HG12 ILE 79 13.481 5.566 0.352 611 HG13 ILE 79 HG13 ILE 79 13.988 4.465 -0.925 612 HG21 ILE 79 HG21 ILE 79 12.107 4.729 2.263 613 HG22 ILE 79 HG22 ILE 79 10.946 5.182 1.015 614 HG23 ILE 79 HG23 ILE 79 10.798 3.612 1.802 615 HD11 ILE 79 HD11 ILE 79 11.820 4.913 -2.118 616 HD12 ILE 79 HD12 ILE 79 11.436 6.136 -0.887 617 HD13 ILE 79 HD13 ILE 79 12.844 6.351 -1.920 618 H ALA 80 H ALA 80 12.119 0.547 0.672 619 HA ALA 80 HA ALA 80 11.221 0.312 3.481 620 HB1 ALA 80 HB1 ALA 80 9.594 -0.023 1.703 621 HB2 ALA 80 HB2 ALA 80 10.647 -1.257 0.963 622 HB3 ALA 80 HB3 ALA 80 9.885 -1.571 2.537 623 H ALA 81 H ALA 81 13.667 -1.103 1.391 624 HA ALA 81 HA ALA 81 14.011 -3.589 2.528 625 HB1 ALA 81 HB1 ALA 81 15.027 -3.058 0.488 626 HB2 ALA 81 HB2 ALA 81 15.948 -1.705 1.226 627 HB3 ALA 81 HB3 ALA 81 16.332 -3.371 1.617 628 HA PRO 82 HA PRO 82 16.664 -4.791 2.942 629 HB2 PRO 82 HB2 PRO 82 17.233 -6.460 4.981 630 HB3 PRO 82 HB3 PRO 82 18.304 -5.137 4.440 631 HG2 PRO 82 HG2 PRO 82 16.306 -5.111 6.712 632 HG3 PRO 82 HG3 PRO 82 18.036 -4.619 6.757 633 HD2 PRO 82 HD2 PRO 82 16.093 -2.765 6.436 634 HD3 PRO 82 HD3 PRO 82 17.603 -2.658 5.494 635 H ALA 83 H ALA 83 13.809 -4.227 4.477 636 HA ALA 83 HA ALA 83 12.711 -6.872 4.808 637 HB1 ALA 83 HB1 ALA 83 11.365 -4.192 4.297 638 HB2 ALA 83 HB2 ALA 83 10.575 -5.614 4.940 639 HB3 ALA 83 HB3 ALA 83 11.825 -4.810 5.914 640 H GLU 84 H GLU 84 10.621 -7.396 3.598 641 HA GLU 84 HA GLU 84 11.185 -7.623 0.712 642 HB2 GLU 84 HB2 GLU 84 9.093 -8.770 2.596 643 HB3 GLU 84 HB3 GLU 84 8.930 -8.874 0.869 644 HG2 GLU 84 HG2 GLU 84 11.420 -9.893 1.061 645 HG3 GLU 84 HG3 GLU 84 10.796 -10.345 2.660 646 H ILE 85 H ILE 85 9.797 -6.797 -0.906 647 HA ILE 85 HA ILE 85 7.572 -5.050 -0.114 648 HB ILE 85 HB ILE 85 8.449 -3.677 -2.198 649 HG12 ILE 85 HG12 ILE 85 10.601 -5.201 -2.262 650 HG13 ILE 85 HG13 ILE 85 10.651 -3.496 -2.601 651 HG21 ILE 85 HG21 ILE 85 9.394 -2.081 -0.584 652 HG22 ILE 85 HG22 ILE 85 7.794 -2.705 -0.164 653 HG23 ILE 85 HG23 ILE 85 9.237 -3.314 0.692 654 HD11 ILE 85 HD11 ILE 85 12.529 -4.207 -1.102 655 HD12 ILE 85 HD12 ILE 85 11.509 -3.006 -0.328 656 HD13 ILE 85 HD13 ILE 85 11.342 -4.694 0.122 657 H PHE 86 H PHE 86 5.844 -5.371 -1.338 658 HA PHE 86 HA PHE 86 6.098 -6.977 -3.840 659 HB2 PHE 86 HB2 PHE 86 4.061 -7.026 -1.605 660 HB3 PHE 86 HB3 PHE 86 3.827 -7.893 -3.092 661 HD1 PHE 86 HD1 PHE 86 5.723 -7.703 0.057 662 HD2 PHE 86 HD2 PHE 86 5.018 -10.158 -3.430 663 HE1 PHE 86 HE1 PHE 86 6.791 -9.660 1.163 664 HE2 PHE 86 HE2 PHE 86 6.209 -11.958 -2.430 665 HZ PHE 86 HZ PHE 86 7.022 -11.792 -0.057 666 H LEU 87 H LEU 87 4.030 -6.620 -5.323 667 HA LEU 87 HA LEU 87 3.052 -3.802 -5.109 668 HB2 LEU 87 HB2 LEU 87 3.821 -5.356 -7.619 669 HB3 LEU 87 HB3 LEU 87 3.199 -3.721 -7.562 670 HG LEU 87 HG LEU 87 5.919 -4.660 -6.556 671 HD11 LEU 87 HD11 LEU 87 6.798 -3.350 -8.445 672 HD12 LEU 87 HD12 LEU 87 5.140 -2.960 -8.955 673 HD13 LEU 87 HD13 LEU 87 5.716 -4.638 -8.980 674 HD21 LEU 87 HD21 LEU 87 4.421 -2.164 -6.035 675 HD22 LEU 87 HD22 LEU 87 6.036 -1.894 -6.724 676 HD23 LEU 87 HD23 LEU 87 5.807 -2.840 -5.221 677 H LEU 88 H LEU 88 0.996 -3.485 -6.359 678 HA LEU 88 HA LEU 88 -0.651 -5.941 -6.709 679 HB2 LEU 88 HB2 LEU 88 -1.062 -4.643 -4.554 680 HB3 LEU 88 HB3 LEU 88 -1.562 -3.287 -5.548 681 HG LEU 88 HG LEU 88 -3.095 -5.373 -6.609 682 HD11 LEU 88 HD11 LEU 88 -2.927 -5.778 -3.580 683 HD12 LEU 88 HD12 LEU 88 -2.479 -6.967 -4.835 684 HD13 LEU 88 HD13 LEU 88 -4.165 -6.442 -4.610 685 HD21 LEU 88 HD21 LEU 88 -4.979 -4.327 -5.532 686 HD22 LEU 88 HD22 LEU 88 -3.815 -3.073 -5.975 687 HD23 LEU 88 HD23 LEU 88 -3.943 -3.600 -4.294 688 H GLU 89 H GLU 89 -1.402 -6.005 -8.791 689 HA GLU 89 HA GLU 89 -0.880 -3.861 -10.646 690 HB2 GLU 89 HB2 GLU 89 -0.794 -6.506 -10.852 691 HB3 GLU 89 HB3 GLU 89 -2.510 -6.330 -11.191 692 HG2 GLU 89 HG2 GLU 89 -1.885 -4.825 -13.139 693 HG3 GLU 89 HG3 GLU 89 -0.192 -5.128 -12.758 694 H ASP 90 H ASP 90 -3.646 -4.371 -8.641 695 HA ASP 90 HA ASP 90 -5.400 -3.026 -10.684 696 HB2 ASP 90 HB2 ASP 90 -5.957 -5.374 -9.766 697 HB3 ASP 90 HB3 ASP 90 -6.447 -4.539 -8.301 698 H GLY 91 H GLY 91 -3.559 -2.182 -8.127 699 HA2 GLY 91 HA2 GLY 91 -3.521 -0.392 -6.686 700 HA3 GLY 91 HA3 GLY 91 -4.721 0.373 -7.740 701 H ILE 92 H ILE 92 -5.371 1.208 -5.423 702 HA ILE 92 HA ILE 92 -6.606 -0.666 -3.660 703 HB ILE 92 HB ILE 92 -5.679 1.565 -3.180 704 HG12 ILE 92 HG12 ILE 92 -7.208 0.110 -1.682 705 HG13 ILE 92 HG13 ILE 92 -6.718 1.720 -1.177 706 HG21 ILE 92 HG21 ILE 92 -6.724 2.908 -4.858 707 HG22 ILE 92 HG22 ILE 92 -8.313 2.709 -4.104 708 HG23 ILE 92 HG23 ILE 92 -7.017 3.578 -3.251 709 HD11 ILE 92 HD11 ILE 92 -8.903 2.611 -1.718 710 HD12 ILE 92 HD12 ILE 92 -9.422 1.061 -2.401 711 HD13 ILE 92 HD13 ILE 92 -9.079 1.198 -0.666 712 H ASP 93 H ASP 93 -7.646 0.702 -6.586 713 HA ASP 93 HA ASP 93 -10.430 0.716 -6.498 714 HB2 ASP 93 HB2 ASP 93 -8.892 1.274 -8.472 715 HB3 ASP 93 HB3 ASP 93 -8.847 -0.446 -8.829 716 H GLY 94 H GLY 94 -8.277 -2.091 -7.009 717 HA2 GLY 94 HA2 GLY 94 -10.269 -4.095 -7.391 718 HA3 GLY 94 HA3 GLY 94 -8.587 -4.342 -6.947 719 H TRP 95 H TRP 95 -8.881 -2.672 -4.459 720 HA TRP 95 HA TRP 95 -9.369 -4.691 -2.600 721 HB2 TRP 95 HB2 TRP 95 -8.154 -2.393 -2.427 722 HB3 TRP 95 HB3 TRP 95 -9.723 -1.747 -1.962 723 HD1 TRP 95 HD1 TRP 95 -10.526 -2.237 0.503 724 HE1 TRP 95 HE1 TRP 95 -9.455 -3.221 2.542 725 HE3 TRP 95 HE3 TRP 95 -6.289 -4.165 -1.701 726 HZ2 TRP 95 HZ2 TRP 95 -7.077 -4.890 3.166 727 HZ3 TRP 95 HZ3 TRP 95 -4.829 -5.665 -0.430 728 HH2 TRP 95 HH2 TRP 95 -5.175 -5.995 2.037 729 H LYS 96 H LYS 96 -11.563 -2.005 -3.546 730 HA LYS 96 HA LYS 96 -13.757 -3.017 -1.929 731 HB2 LYS 96 HB2 LYS 96 -13.754 -1.058 -4.255 732 HB3 LYS 96 HB3 LYS 96 -15.191 -1.489 -3.309 733 HG2 LYS 96 HG2 LYS 96 -13.919 -0.777 -1.228 734 HG3 LYS 96 HG3 LYS 96 -12.679 -0.099 -2.288 735 HD2 LYS 96 HD2 LYS 96 -15.636 0.709 -2.234 736 HD3 LYS 96 HD3 LYS 96 -14.324 1.551 -1.431 737 HE2 LYS 96 HE2 LYS 96 -14.622 2.829 -3.308 738 HE3 LYS 96 HE3 LYS 96 -13.225 1.854 -3.744 739 HZ1 LYS 96 HZ1 LYS 96 -14.592 0.606 -5.239 740 HZ2 LYS 96 HZ2 LYS 96 -15.047 2.176 -5.402 741 HZ3 LYS 96 HZ3 LYS 96 -16.004 1.199 -4.544 742 H LYS 97 H LYS 97 -12.872 -3.435 -5.393 743 HA LYS 97 HA LYS 97 -15.218 -4.829 -6.180 744 HB2 LYS 97 HB2 LYS 97 -12.331 -5.084 -7.122 745 HB3 LYS 97 HB3 LYS 97 -13.694 -5.883 -7.898 746 HG2 LYS 97 HG2 LYS 97 -14.645 -3.875 -8.676 747 HG3 LYS 97 HG3 LYS 97 -13.690 -2.875 -7.578 748 HD2 LYS 97 HD2 LYS 97 -12.900 -2.764 -9.949 749 HD3 LYS 97 HD3 LYS 97 -11.666 -3.258 -8.798 750 HE2 LYS 97 HE2 LYS 97 -12.231 -5.688 -9.454 751 HE3 LYS 97 HE3 LYS 97 -13.189 -5.005 -10.771 752 HZ1 LYS 97 HZ1 LYS 97 -10.264 -4.746 -10.336 753 HZ2 LYS 97 HZ2 LYS 97 -11.052 -3.877 -11.467 754 HZ3 LYS 97 HZ3 LYS 97 -11.011 -5.545 -11.525 755 H ALA 98 H ALA 98 -12.456 -5.937 -4.271 756 HA ALA 98 HA ALA 98 -13.184 -8.768 -4.547 757 HB1 ALA 98 HB1 ALA 98 -11.245 -9.067 -3.054 758 HB2 ALA 98 HB2 ALA 98 -10.838 -8.040 -4.441 759 HB3 ALA 98 HB3 ALA 98 -11.128 -7.310 -2.838 760 H GLY 99 H GLY 99 -14.093 -6.113 -2.482 761 HA2 GLY 99 HA2 GLY 99 -15.767 -6.256 -0.825 762 HA3 GLY 99 HA3 GLY 99 -15.531 -7.992 -0.700 763 H LEU 100 H LEU 100 -12.597 -6.061 -0.584 764 HA LEU 100 HA LEU 100 -12.169 -6.947 2.160 765 HB2 LEU 100 HB2 LEU 100 -10.514 -5.285 0.249 766 HB3 LEU 100 HB3 LEU 100 -9.955 -5.806 1.828 767 HG LEU 100 HG LEU 100 -10.735 -7.687 -0.438 768 HD11 LEU 100 HD11 LEU 100 -8.650 -6.473 -0.897 769 HD12 LEU 100 HD12 LEU 100 -8.336 -8.184 -0.585 770 HD13 LEU 100 HD13 LEU 100 -7.998 -6.981 0.676 771 HD21 LEU 100 HD21 LEU 100 -9.779 -8.172 2.401 772 HD22 LEU 100 HD22 LEU 100 -9.482 -9.355 1.115 773 HD23 LEU 100 HD23 LEU 100 -11.144 -8.913 1.547 774 HA PRO 101 HA PRO 101 -13.717 -3.416 4.261 775 HB2 PRO 101 HB2 PRO 101 -12.212 -3.196 6.518 776 HB3 PRO 101 HB3 PRO 101 -13.201 -4.644 6.162 777 HG2 PRO 101 HG2 PRO 101 -10.259 -4.210 5.566 778 HG3 PRO 101 HG3 PRO 101 -11.003 -5.559 6.484 779 HD2 PRO 101 HD2 PRO 101 -10.433 -5.798 3.846 780 HD3 PRO 101 HD3 PRO 101 -11.931 -6.506 4.520 781 H VAL 102 H VAL 102 -13.243 -1.306 5.390 782 HA VAL 102 HA VAL 102 -10.970 0.247 4.304 783 HB VAL 102 HB VAL 102 -12.598 2.131 3.910 784 HG11 VAL 102 HG11 VAL 102 -12.683 -0.211 1.974 785 HG12 VAL 102 HG12 VAL 102 -12.942 1.514 1.590 786 HG13 VAL 102 HG13 VAL 102 -11.354 0.952 2.143 787 HG21 VAL 102 HG21 VAL 102 -14.584 1.074 4.964 788 HG22 VAL 102 HG22 VAL 102 -14.887 1.654 3.328 789 HG23 VAL 102 HG23 VAL 102 -14.668 -0.086 3.633 790 H ALA 103 H ALA 103 -10.683 2.262 5.389 791 HA ALA 103 HA ALA 103 -11.474 2.342 8.236 792 HB1 ALA 103 HB1 ALA 103 -9.458 3.887 8.346 793 HB2 ALA 103 HB2 ALA 103 -9.118 2.192 8.021 794 HB3 ALA 103 HB3 ALA 103 -9.065 3.374 6.685 795 H VAL 104 H VAL 104 -13.490 3.098 7.417 796 HA VAL 104 HA VAL 104 -13.567 5.937 6.450 797 HB VAL 104 HB VAL 104 -16.010 5.420 6.047 798 HG11 VAL 104 HG11 VAL 104 -13.906 3.862 4.527 799 HG12 VAL 104 HG12 VAL 104 -15.620 3.862 4.056 800 HG13 VAL 104 HG13 VAL 104 -14.736 5.377 4.099 801 HG21 VAL 104 HG21 VAL 104 -15.182 2.551 6.525 802 HG22 VAL 104 HG22 VAL 104 -16.175 3.544 7.627 803 HG23 VAL 104 HG23 VAL 104 -16.781 3.132 6.018 804 H ASN 105 H ASN 105 -15.394 7.115 7.411 805 HA ASN 105 HA ASN 105 -15.167 7.186 10.323 806 HB2 ASN 105 HB2 ASN 105 -16.594 9.155 10.223 807 HB3 ASN 105 HB3 ASN 105 -15.367 9.297 8.971 808 HD21 ASN 105 HD21 ASN 105 -16.041 8.835 6.700 809 HD22 ASN 105 HD22 ASN 105 -17.714 8.697 6.259 810 H LYS 106 H LYS 106 -17.476 5.975 7.971 811 HA LYS 106 HA LYS 106 -19.685 5.739 9.779 812 HB2 LYS 106 HB2 LYS 106 -19.168 4.568 7.000 813 HB3 LYS 106 HB3 LYS 106 -20.715 4.543 7.851 814 HG2 LYS 106 HG2 LYS 106 -20.606 7.059 8.016 815 HG3 LYS 106 HG3 LYS 106 -19.201 7.019 6.941 816 HD2 LYS 106 HD2 LYS 106 -20.458 6.204 5.104 817 HD3 LYS 106 HD3 LYS 106 -21.857 5.797 6.132 818 HE2 LYS 106 HE2 LYS 106 -22.291 8.095 6.653 819 HE3 LYS 106 HE3 LYS 106 -20.796 8.642 5.876 820 HZ1 LYS 106 HZ1 LYS 106 -21.680 8.144 3.767 821 HZ2 LYS 106 HZ2 LYS 106 -22.872 8.933 4.577 822 HZ3 LYS 106 HZ3 LYS 106 -22.946 7.297 4.372 823 H SER 107 H SER 107 -20.909 3.696 10.063 824 HA SER 107 HA SER 107 -19.269 1.279 10.369 825 HB2 SER 107 HB2 SER 107 -19.536 2.772 12.539 826 HB3 SER 107 HB3 SER 107 -21.158 2.065 12.581 827 HG SER 107 HG SER 107 -18.600 0.890 12.802 828 H GLN 108 H GLN 108 -20.588 -0.628 10.482 829 HA GLN 108 HA GLN 108 -23.315 -0.416 9.302 830 HB2 GLN 108 HB2 GLN 108 -21.106 -2.487 8.972 831 HB3 GLN 108 HB3 GLN 108 -22.733 -2.692 8.355 832 HG2 GLN 108 HG2 GLN 108 -20.728 -0.577 7.454 833 HG3 GLN 108 HG3 GLN 108 -21.120 -2.062 6.596 834 HE21 GLN 108 HE21 GLN 108 -24.061 -1.861 7.140 835 HE22 GLN 108 HE22 GLN 108 -24.677 -0.477 6.293 Start of MODEL 20 1 H ALA 1 H ALA 1 13.832 -9.584 -5.208 2 HA ALA 1 HA ALA 1 13.086 -7.343 -5.206 3 HB1 ALA 1 HB1 ALA 1 14.312 -8.032 -7.285 4 HB2 ALA 1 HB2 ALA 1 12.746 -8.403 -8.048 5 HB3 ALA 1 HB3 ALA 1 13.134 -6.744 -7.611 6 H LEU 2 H LEU 2 11.453 -5.816 -6.477 7 HA LEU 2 HA LEU 2 8.894 -6.160 -5.378 8 HB2 LEU 2 HB2 LEU 2 10.128 -4.395 -7.475 9 HB3 LEU 2 HB3 LEU 2 8.371 -4.400 -7.354 10 HG LEU 2 HG LEU 2 9.976 -4.138 -4.810 11 HD11 LEU 2 HD11 LEU 2 11.020 -2.486 -6.235 12 HD12 LEU 2 HD12 LEU 2 10.028 -1.690 -5.015 13 HD13 LEU 2 HD13 LEU 2 9.424 -1.831 -6.693 14 HD21 LEU 2 HD21 LEU 2 7.505 -4.329 -4.695 15 HD22 LEU 2 HD22 LEU 2 7.362 -2.947 -5.796 16 HD23 LEU 2 HD23 LEU 2 8.019 -2.707 -4.185 17 H THR 3 H THR 3 7.576 -7.766 -5.741 18 HA THR 3 HA THR 3 6.964 -8.753 -8.478 19 HB THR 3 HB THR 3 6.757 -10.103 -5.743 20 HG1 THR 3 HG1 THR 3 8.618 -11.004 -6.116 21 HG21 THR 3 HG21 THR 3 6.614 -12.214 -7.073 22 HG22 THR 3 HG22 THR 3 6.489 -11.250 -8.551 23 HG23 THR 3 HG23 THR 3 5.229 -11.160 -7.304 24 H THR 4 H THR 4 4.611 -9.235 -8.853 25 HA THR 4 HA THR 4 2.857 -7.507 -7.223 26 HB THR 4 HB THR 4 2.019 -8.738 -9.831 27 HG1 THR 4 HG1 THR 4 3.224 -7.587 -11.050 28 HG21 THR 4 HG21 THR 4 0.508 -7.221 -8.573 29 HG22 THR 4 HG22 THR 4 0.964 -6.540 -10.147 30 HG23 THR 4 HG23 THR 4 1.717 -5.934 -8.676 31 H ILE 5 H ILE 5 0.849 -8.417 -6.332 32 HA ILE 5 HA ILE 5 0.598 -11.379 -6.533 33 HB ILE 5 HB ILE 5 0.127 -11.667 -4.301 34 HG12 ILE 5 HG12 ILE 5 -1.211 -9.815 -3.618 35 HG13 ILE 5 HG13 ILE 5 0.153 -9.984 -2.530 36 HG21 ILE 5 HG21 ILE 5 2.483 -11.556 -4.879 37 HG22 ILE 5 HG22 ILE 5 2.561 -9.848 -4.420 38 HG23 ILE 5 HG23 ILE 5 2.209 -11.084 -3.200 39 HD11 ILE 5 HD11 ILE 5 -0.206 -7.645 -2.938 40 HD12 ILE 5 HD12 ILE 5 1.282 -8.087 -3.791 41 HD13 ILE 5 HD13 ILE 5 -0.251 -7.900 -4.690 42 H SER 6 H SER 6 -1.737 -12.077 -5.573 43 HA SER 6 HA SER 6 -3.622 -11.069 -7.460 44 HB2 SER 6 HB2 SER 6 -4.386 -12.572 -4.964 45 HB3 SER 6 HB3 SER 6 -5.171 -12.577 -6.537 46 HG SER 6 HG SER 6 -2.969 -13.968 -5.615 47 HA PRO 7 HA PRO 7 -5.219 -7.568 -5.299 48 HB2 PRO 7 HB2 PRO 7 -7.981 -7.679 -5.567 49 HB3 PRO 7 HB3 PRO 7 -6.845 -7.180 -6.859 50 HG2 PRO 7 HG2 PRO 7 -8.028 -9.939 -6.384 51 HG3 PRO 7 HG3 PRO 7 -7.968 -9.017 -7.916 52 HD2 PRO 7 HD2 PRO 7 -6.126 -10.900 -7.417 53 HD3 PRO 7 HD3 PRO 7 -5.597 -9.335 -8.103 54 H HIS 8 H HIS 8 -6.533 -10.682 -4.422 55 HA HIS 8 HA HIS 8 -7.455 -9.789 -1.784 56 HB2 HIS 8 HB2 HIS 8 -8.622 -11.405 -3.418 57 HB3 HIS 8 HB3 HIS 8 -7.398 -12.591 -2.957 58 HD1 HIS 8 HD1 HIS 8 -7.375 -12.149 0.185 59 HD2 HIS 8 HD2 HIS 8 -10.793 -12.204 -2.297 60 HE1 HIS 8 HE1 HIS 8 -9.342 -12.767 1.670 61 H ASP 9 H ASP 9 -4.715 -11.556 -3.237 62 HA ASP 9 HA ASP 9 -3.750 -12.929 -0.960 63 HB2 ASP 9 HB2 ASP 9 -2.349 -11.802 -3.410 64 HB3 ASP 9 HB3 ASP 9 -1.503 -12.682 -2.150 65 H ALA 10 H ALA 10 -3.462 -9.576 -1.968 66 HA ALA 10 HA ALA 10 -1.229 -8.777 -0.469 67 HB1 ALA 10 HB1 ALA 10 -2.398 -7.331 -2.103 68 HB2 ALA 10 HB2 ALA 10 -3.800 -7.218 -1.017 69 HB3 ALA 10 HB3 ALA 10 -2.236 -6.523 -0.526 70 H GLN 11 H GLN 11 -4.669 -9.023 0.579 71 HA GLN 11 HA GLN 11 -4.210 -8.084 3.210 72 HB2 GLN 11 HB2 GLN 11 -6.382 -8.460 1.758 73 HB3 GLN 11 HB3 GLN 11 -6.457 -9.998 2.578 74 HG2 GLN 11 HG2 GLN 11 -5.898 -7.697 4.416 75 HG3 GLN 11 HG3 GLN 11 -7.371 -7.519 3.504 76 HE21 GLN 11 HE21 GLN 11 -8.844 -7.844 5.333 77 HE22 GLN 11 HE22 GLN 11 -9.014 -9.457 5.979 78 H GLU 12 H GLU 12 -4.302 -11.336 1.814 79 HA GLU 12 HA GLU 12 -4.043 -12.895 4.181 80 HB2 GLU 12 HB2 GLU 12 -4.329 -13.652 1.683 81 HB3 GLU 12 HB3 GLU 12 -2.565 -13.522 1.601 82 HG2 GLU 12 HG2 GLU 12 -2.529 -15.037 3.693 83 HG3 GLU 12 HG3 GLU 12 -4.238 -15.320 3.382 84 H LEU 13 H LEU 13 -1.498 -11.206 2.264 85 HA LEU 13 HA LEU 13 0.655 -12.252 3.859 86 HB2 LEU 13 HB2 LEU 13 0.448 -9.710 2.228 87 HB3 LEU 13 HB3 LEU 13 1.948 -10.325 2.919 88 HG LEU 13 HG LEU 13 0.279 -11.720 0.790 89 HD11 LEU 13 HD11 LEU 13 2.974 -10.312 0.649 90 HD12 LEU 13 HD12 LEU 13 1.441 -9.763 -0.076 91 HD13 LEU 13 HD13 LEU 13 2.222 -11.234 -0.667 92 HD21 LEU 13 HD21 LEU 13 1.315 -13.452 2.087 93 HD22 LEU 13 HD22 LEU 13 2.846 -12.566 2.165 94 HD23 LEU 13 HD23 LEU 13 2.287 -13.253 0.629 95 H ILE 14 H ILE 14 -1.114 -9.137 4.093 96 HA ILE 14 HA ILE 14 0.248 -8.231 6.410 97 HB ILE 14 HB ILE 14 -2.578 -7.628 5.502 98 HG12 ILE 14 HG12 ILE 14 -0.377 -5.625 5.085 99 HG13 ILE 14 HG13 ILE 14 -0.232 -7.061 4.107 100 HG21 ILE 14 HG21 ILE 14 -2.430 -6.822 7.741 101 HG22 ILE 14 HG22 ILE 14 -0.764 -6.224 7.493 102 HG23 ILE 14 HG23 ILE 14 -2.118 -5.417 6.701 103 HD11 ILE 14 HD11 ILE 14 -1.522 -5.476 2.868 104 HD12 ILE 14 HD12 ILE 14 -2.584 -6.793 3.352 105 HD13 ILE 14 HD13 ILE 14 -2.661 -5.244 4.224 106 H ALA 15 H ALA 15 -2.674 -10.301 6.118 107 HA ALA 15 HA ALA 15 -3.258 -10.431 8.882 108 HB1 ALA 15 HB1 ALA 15 -3.746 -12.482 6.668 109 HB2 ALA 15 HB2 ALA 15 -4.499 -12.491 8.269 110 HB3 ALA 15 HB3 ALA 15 -4.837 -11.156 7.139 111 H ARG 16 H ARG 16 -0.943 -12.242 6.877 112 HA ARG 16 HA ARG 16 -0.249 -14.200 8.939 113 HB2 ARG 16 HB2 ARG 16 1.097 -13.357 6.349 114 HB3 ARG 16 HB3 ARG 16 1.618 -14.713 7.339 115 HG2 ARG 16 HG2 ARG 16 -0.252 -16.045 6.768 116 HG3 ARG 16 HG3 ARG 16 -1.236 -14.697 6.284 117 HD2 ARG 16 HD2 ARG 16 -0.025 -14.347 4.264 118 HD3 ARG 16 HD3 ARG 16 1.388 -15.162 4.872 119 HE ARG 16 HE ARG 16 -1.127 -16.529 4.026 120 HH11 ARG 16 HH11 ARG 16 2.445 -16.581 4.354 121 HH12 ARG 16 HH12 ARG 16 2.637 -17.911 3.281 122 HH21 ARG 16 HH21 ARG 16 -0.865 -18.227 2.671 123 HH22 ARG 16 HH22 ARG 16 0.696 -19.006 2.425 124 H GLY 17 H GLY 17 0.726 -10.931 8.175 125 HA2 GLY 17 HA2 GLY 17 1.977 -10.177 10.363 126 HA3 GLY 17 HA3 GLY 17 3.256 -11.190 9.722 127 H ALA 18 H ALA 18 2.011 -9.973 6.944 128 HA ALA 18 HA ALA 18 4.182 -8.159 6.591 129 HB1 ALA 18 HB1 ALA 18 2.958 -9.844 4.975 130 HB2 ALA 18 HB2 ALA 18 1.969 -8.416 4.548 131 HB3 ALA 18 HB3 ALA 18 3.750 -8.426 4.387 132 H LYS 19 H LYS 19 3.352 -6.007 5.017 133 HA LYS 19 HA LYS 19 1.457 -4.431 6.705 134 HB2 LYS 19 HB2 LYS 19 4.373 -4.180 6.503 135 HB3 LYS 19 HB3 LYS 19 3.632 -2.706 5.919 136 HG2 LYS 19 HG2 LYS 19 2.897 -4.001 8.563 137 HG3 LYS 19 HG3 LYS 19 4.216 -2.823 8.394 138 HD2 LYS 19 HD2 LYS 19 2.669 -1.183 7.514 139 HD3 LYS 19 HD3 LYS 19 1.318 -2.313 7.650 140 HE2 LYS 19 HE2 LYS 19 2.934 -1.267 10.009 141 HE3 LYS 19 HE3 LYS 19 1.395 -0.589 9.443 142 HZ1 LYS 19 HZ1 LYS 19 0.884 -2.063 11.171 143 HZ2 LYS 19 HZ2 LYS 19 1.852 -3.257 10.601 144 HZ3 LYS 19 HZ3 LYS 19 0.450 -2.860 9.826 145 H LEU 20 H LEU 20 0.809 -2.265 5.629 146 HA LEU 20 HA LEU 20 0.975 -2.424 2.662 147 HB2 LEU 20 HB2 LEU 20 -1.319 -3.093 3.933 148 HB3 LEU 20 HB3 LEU 20 -1.524 -1.421 3.989 149 HG LEU 20 HG LEU 20 -1.478 -1.138 1.557 150 HD11 LEU 20 HD11 LEU 20 0.065 -2.658 0.728 151 HD12 LEU 20 HD12 LEU 20 -1.489 -3.117 0.077 152 HD13 LEU 20 HD13 LEU 20 -0.802 -4.068 1.404 153 HD21 LEU 20 HD21 LEU 20 -3.528 -2.441 1.068 154 HD22 LEU 20 HD22 LEU 20 -3.599 -1.780 2.703 155 HD23 LEU 20 HD23 LEU 20 -3.214 -3.493 2.457 156 H ILE 21 H ILE 21 1.901 -0.590 1.914 157 HA ILE 21 HA ILE 21 1.635 1.865 3.626 158 HB ILE 21 HB ILE 21 3.810 0.729 1.875 159 HG12 ILE 21 HG12 ILE 21 5.256 1.301 3.679 160 HG13 ILE 21 HG13 ILE 21 4.037 2.295 4.469 161 HG21 ILE 21 HG21 ILE 21 4.944 3.009 2.002 162 HG22 ILE 21 HG22 ILE 21 3.612 2.877 0.848 163 HG23 ILE 21 HG23 ILE 21 3.359 3.692 2.394 164 HD11 ILE 21 HD11 ILE 21 3.717 -0.710 4.127 165 HD12 ILE 21 HD12 ILE 21 4.496 0.001 5.518 166 HD13 ILE 21 HD13 ILE 21 2.807 0.397 5.224 167 H ASP 22 H ASP 22 0.980 3.745 2.629 168 HA ASP 22 HA ASP 22 -0.373 3.499 -0.016 169 HB2 ASP 22 HB2 ASP 22 -1.897 3.939 1.893 170 HB3 ASP 22 HB3 ASP 22 -0.880 5.261 2.451 171 H ILE 23 H ILE 23 0.864 4.435 -1.569 172 HA ILE 23 HA ILE 23 2.790 6.558 -0.825 173 HB ILE 23 HB ILE 23 3.901 6.151 -2.958 174 HG12 ILE 23 HG12 ILE 23 1.907 3.904 -3.353 175 HG13 ILE 23 HG13 ILE 23 2.146 5.318 -4.345 176 HG21 ILE 23 HG21 ILE 23 4.627 5.120 -0.839 177 HG22 ILE 23 HG22 ILE 23 3.903 3.592 -1.360 178 HG23 ILE 23 HG23 ILE 23 5.192 4.322 -2.306 179 HD11 ILE 23 HD11 ILE 23 4.410 4.508 -4.973 180 HD12 ILE 23 HD12 ILE 23 4.131 3.035 -4.013 181 HD13 ILE 23 HD13 ILE 23 3.120 3.382 -5.421 182 H ARG 24 H ARG 24 -0.379 6.620 -1.747 183 HA ARG 24 HA ARG 24 -0.349 8.187 -4.116 184 HB2 ARG 24 HB2 ARG 24 -2.403 7.873 -1.898 185 HB3 ARG 24 HB3 ARG 24 -2.715 8.676 -3.419 186 HG2 ARG 24 HG2 ARG 24 -3.131 6.832 -4.495 187 HG3 ARG 24 HG3 ARG 24 -1.634 6.085 -4.055 188 HD2 ARG 24 HD2 ARG 24 -4.005 4.963 -3.480 189 HD3 ARG 24 HD3 ARG 24 -2.575 4.755 -2.486 190 HE ARG 24 HE ARG 24 -3.351 6.071 -0.852 191 HH11 ARG 24 HH11 ARG 24 -5.856 6.000 -3.303 192 HH12 ARG 24 HH12 ARG 24 -7.117 6.606 -2.303 193 HH21 ARG 24 HH21 ARG 24 -4.787 6.719 0.495 194 HH22 ARG 24 HH22 ARG 24 -6.428 7.232 0.087 195 H ASP 25 H ASP 25 -1.961 9.681 -1.358 196 HA ASP 25 HA ASP 25 -0.045 11.847 -1.110 197 HB2 ASP 25 HB2 ASP 25 -2.660 12.073 -2.636 198 HB3 ASP 25 HB3 ASP 25 -2.168 13.403 -1.587 199 H ALA 26 H ALA 26 -0.461 12.915 0.856 200 HA ALA 26 HA ALA 26 -1.535 11.461 2.955 201 HB1 ALA 26 HB1 ALA 26 -1.291 13.523 4.276 202 HB2 ALA 26 HB2 ALA 26 0.090 13.295 3.193 203 HB3 ALA 26 HB3 ALA 26 -1.168 14.481 2.793 204 H ASP 27 H ASP 27 -3.235 14.125 1.261 205 HA ASP 27 HA ASP 27 -5.536 14.010 2.993 206 HB2 ASP 27 HB2 ASP 27 -4.756 15.570 0.684 207 HB3 ASP 27 HB3 ASP 27 -6.472 15.146 0.720 208 H GLU 28 H GLU 28 -4.604 11.902 0.370 209 HA GLU 28 HA GLU 28 -7.359 11.127 -0.209 210 HB2 GLU 28 HB2 GLU 28 -4.746 9.811 -1.007 211 HB3 GLU 28 HB3 GLU 28 -6.333 9.511 -1.722 212 HG2 GLU 28 HG2 GLU 28 -4.772 12.137 -1.859 213 HG3 GLU 28 HG3 GLU 28 -4.930 10.955 -3.143 214 H TYR 29 H TYR 29 -4.911 10.272 2.083 215 HA TYR 29 HA TYR 29 -5.992 7.603 2.659 216 HB2 TYR 29 HB2 TYR 29 -3.680 7.981 3.210 217 HB3 TYR 29 HB3 TYR 29 -4.056 9.411 4.172 218 HD1 TYR 29 HD1 TYR 29 -4.772 9.204 6.509 219 HD2 TYR 29 HD2 TYR 29 -4.380 5.737 4.000 220 HE1 TYR 29 HE1 TYR 29 -5.056 7.759 8.493 221 HE2 TYR 29 HE2 TYR 29 -4.738 4.255 6.000 222 HH TYR 29 HH TYR 29 -5.043 5.562 9.309 223 H LEU 30 H LEU 30 -6.087 10.823 4.025 224 HA LEU 30 HA LEU 30 -7.513 10.645 6.329 225 HB2 LEU 30 HB2 LEU 30 -6.363 12.586 5.206 226 HB3 LEU 30 HB3 LEU 30 -7.802 12.849 4.246 227 HG LEU 30 HG LEU 30 -7.728 12.976 7.297 228 HD11 LEU 30 HD11 LEU 30 -6.262 14.684 6.300 229 HD12 LEU 30 HD12 LEU 30 -7.705 15.435 6.983 230 HD13 LEU 30 HD13 LEU 30 -7.569 15.212 5.225 231 HD21 LEU 30 HD21 LEU 30 -9.862 13.609 5.232 232 HD22 LEU 30 HD22 LEU 30 -9.816 14.476 6.763 233 HD23 LEU 30 HD23 LEU 30 -10.012 12.725 6.767 234 H ARG 31 H ARG 31 -8.979 11.107 3.148 235 HA ARG 31 HA ARG 31 -11.679 11.237 4.011 236 HB2 ARG 31 HB2 ARG 31 -10.548 10.392 1.294 237 HB3 ARG 31 HB3 ARG 31 -12.260 10.731 1.628 238 HG2 ARG 31 HG2 ARG 31 -11.492 12.973 2.563 239 HG3 ARG 31 HG3 ARG 31 -9.921 12.682 1.827 240 HD2 ARG 31 HD2 ARG 31 -12.574 12.748 0.333 241 HD3 ARG 31 HD3 ARG 31 -11.464 14.118 0.472 242 HE ARG 31 HE ARG 31 -9.851 12.172 -0.586 243 HH11 ARG 31 HH11 ARG 31 -12.865 13.798 -1.578 244 HH12 ARG 31 HH12 ARG 31 -12.591 13.580 -3.264 245 HH21 ARG 31 HH21 ARG 31 -9.442 11.996 -2.812 246 HH22 ARG 31 HH22 ARG 31 -10.589 12.609 -3.964 247 H GLU 32 H GLU 32 -10.227 8.420 2.367 248 HA GLU 32 HA GLU 32 -11.298 6.521 4.202 249 HB2 GLU 32 HB2 GLU 32 -12.670 5.282 2.485 250 HB3 GLU 32 HB3 GLU 32 -13.424 6.693 3.158 251 HG2 GLU 32 HG2 GLU 32 -12.676 7.945 1.010 252 HG3 GLU 32 HG3 GLU 32 -12.255 6.357 0.382 253 H HIS 33 H HIS 33 -9.883 4.844 4.105 254 HA HIS 33 HA HIS 33 -8.640 4.164 1.548 255 HB2 HIS 33 HB2 HIS 33 -7.182 5.886 2.554 256 HB3 HIS 33 HB3 HIS 33 -6.961 4.873 3.988 257 HD1 HIS 33 HD1 HIS 33 -4.654 3.587 3.753 258 HD2 HIS 33 HD2 HIS 33 -6.759 4.131 0.130 259 HE1 HIS 33 HE1 HIS 33 -3.520 2.134 2.012 260 H ILE 34 H ILE 34 -6.697 2.466 3.400 261 HA ILE 34 HA ILE 34 -8.650 0.279 3.896 262 HB ILE 34 HB ILE 34 -5.720 0.254 3.110 263 HG12 ILE 34 HG12 ILE 34 -8.132 -0.863 1.599 264 HG13 ILE 34 HG13 ILE 34 -7.488 0.748 1.303 265 HG21 ILE 34 HG21 ILE 34 -5.832 -2.201 3.085 266 HG22 ILE 34 HG22 ILE 34 -6.233 -1.634 4.671 267 HG23 ILE 34 HG23 ILE 34 -7.525 -2.165 3.578 268 HD11 ILE 34 HD11 ILE 34 -5.335 -0.103 0.725 269 HD12 ILE 34 HD12 ILE 34 -5.834 -1.776 1.021 270 HD13 ILE 34 HD13 ILE 34 -6.554 -0.878 -0.297 271 HA PRO 35 HA PRO 35 -7.452 0.822 8.192 272 HB2 PRO 35 HB2 PRO 35 -8.256 -1.604 9.224 273 HB3 PRO 35 HB3 PRO 35 -9.416 -0.308 8.736 274 HG2 PRO 35 HG2 PRO 35 -8.523 -2.749 7.165 275 HG3 PRO 35 HG3 PRO 35 -10.199 -2.126 7.407 276 HD2 PRO 35 HD2 PRO 35 -8.754 -1.641 5.183 277 HD3 PRO 35 HD3 PRO 35 -9.808 -0.401 5.849 278 H GLU 36 H GLU 36 -6.469 -2.010 6.417 279 HA GLU 36 HA GLU 36 -4.392 -2.891 8.243 280 HB2 GLU 36 HB2 GLU 36 -4.951 -3.640 5.342 281 HB3 GLU 36 HB3 GLU 36 -3.799 -4.405 6.346 282 HG2 GLU 36 HG2 GLU 36 -6.704 -4.314 7.181 283 HG3 GLU 36 HG3 GLU 36 -6.056 -5.559 6.113 284 H ALA 37 H ALA 37 -4.532 -0.162 6.229 285 HA ALA 37 HA ALA 37 -1.622 -0.225 5.724 286 HB1 ALA 37 HB1 ALA 37 -3.120 0.147 3.683 287 HB2 ALA 37 HB2 ALA 37 -3.707 1.609 4.482 288 HB3 ALA 37 HB3 ALA 37 -1.997 1.484 4.003 289 H ASP 38 H ASP 38 -0.642 2.146 5.722 290 HA ASP 38 HA ASP 38 -1.763 3.650 8.006 291 HB2 ASP 38 HB2 ASP 38 0.195 2.220 8.656 292 HB3 ASP 38 HB3 ASP 38 1.154 3.014 7.422 293 H LEU 39 H LEU 39 0.962 4.792 6.692 294 HA LEU 39 HA LEU 39 0.072 6.000 4.177 295 HB2 LEU 39 HB2 LEU 39 -1.290 7.322 5.743 296 HB3 LEU 39 HB3 LEU 39 0.125 7.657 6.730 297 HG LEU 39 HG LEU 39 1.097 9.019 4.928 298 HD11 LEU 39 HD11 LEU 39 0.087 7.907 2.928 299 HD12 LEU 39 HD12 LEU 39 -0.270 9.631 2.937 300 HD13 LEU 39 HD13 LEU 39 -1.507 8.466 3.434 301 HD21 LEU 39 HD21 LEU 39 -0.334 10.063 6.631 302 HD22 LEU 39 HD22 LEU 39 -1.760 9.805 5.600 303 HD23 LEU 39 HD23 LEU 39 -0.460 10.899 5.069 304 H ALA 40 H ALA 40 1.875 6.631 3.003 305 HA ALA 40 HA ALA 40 4.229 7.783 4.150 306 HB1 ALA 40 HB1 ALA 40 4.138 4.851 4.066 307 HB2 ALA 40 HB2 ALA 40 5.468 5.491 3.088 308 HB3 ALA 40 HB3 ALA 40 5.308 5.937 4.798 309 HA PRO 41 HA PRO 41 2.877 8.470 -0.241 310 HB2 PRO 41 HB2 PRO 41 3.209 11.200 -0.302 311 HB3 PRO 41 HB3 PRO 41 1.714 10.344 0.189 312 HG2 PRO 41 HG2 PRO 41 3.878 11.489 1.934 313 HG3 PRO 41 HG3 PRO 41 2.106 11.568 2.174 314 HD2 PRO 41 HD2 PRO 41 3.734 9.803 3.479 315 HD3 PRO 41 HD3 PRO 41 2.058 9.366 3.018 316 H LEU 42 H LEU 42 4.176 8.626 -2.009 317 HA LEU 42 HA LEU 42 6.815 7.991 -1.773 318 HB2 LEU 42 HB2 LEU 42 5.101 8.251 -3.861 319 HB3 LEU 42 HB3 LEU 42 6.131 9.596 -4.187 320 HG LEU 42 HG LEU 42 7.432 8.270 -5.312 321 HD11 LEU 42 HD11 LEU 42 8.932 8.388 -3.359 322 HD12 LEU 42 HD12 LEU 42 9.124 6.897 -4.271 323 HD13 LEU 42 HD13 LEU 42 8.273 6.864 -2.741 324 HD21 LEU 42 HD21 LEU 42 6.292 5.866 -3.878 325 HD22 LEU 42 HD22 LEU 42 7.220 5.870 -5.424 326 HD23 LEU 42 HD23 LEU 42 5.616 6.611 -5.348 327 H SER 43 H SER 43 5.482 11.292 -2.314 328 HA SER 43 HA SER 43 7.842 12.689 -2.675 329 HB2 SER 43 HB2 SER 43 5.359 13.631 -1.207 330 HB3 SER 43 HB3 SER 43 6.492 14.625 -2.142 331 HG SER 43 HG SER 43 4.440 13.878 -3.180 332 H VAL 44 H VAL 44 6.485 11.515 0.425 333 HA VAL 44 HA VAL 44 8.417 13.138 1.973 334 HB VAL 44 HB VAL 44 6.406 11.007 2.816 335 HG11 VAL 44 HG11 VAL 44 8.211 11.152 4.496 336 HG12 VAL 44 HG12 VAL 44 8.034 12.917 4.556 337 HG13 VAL 44 HG13 VAL 44 6.722 11.860 5.118 338 HG21 VAL 44 HG21 VAL 44 5.055 12.850 3.641 339 HG22 VAL 44 HG22 VAL 44 6.309 14.030 3.187 340 HG23 VAL 44 HG23 VAL 44 5.406 13.164 1.935 341 H LEU 45 H LEU 45 8.009 9.854 0.823 342 HA LEU 45 HA LEU 45 10.116 8.564 2.301 343 HB2 LEU 45 HB2 LEU 45 8.394 8.009 -0.125 344 HB3 LEU 45 HB3 LEU 45 9.782 7.017 0.131 345 HG LEU 45 HG LEU 45 7.417 6.363 1.122 346 HD11 LEU 45 HD11 LEU 45 8.580 5.135 2.977 347 HD12 LEU 45 HD12 LEU 45 10.025 6.122 2.638 348 HD13 LEU 45 HD13 LEU 45 9.390 5.029 1.415 349 HD21 LEU 45 HD21 LEU 45 7.124 6.910 3.525 350 HD22 LEU 45 HD22 LEU 45 6.877 8.299 2.466 351 HD23 LEU 45 HD23 LEU 45 8.366 8.130 3.414 352 H GLU 46 H GLU 46 9.937 9.987 -0.921 353 HA GLU 46 HA GLU 46 12.526 9.401 -1.828 354 HB2 GLU 46 HB2 GLU 46 10.417 11.471 -2.412 355 HB3 GLU 46 HB3 GLU 46 12.024 11.762 -3.064 356 HG2 GLU 46 HG2 GLU 46 10.945 8.980 -3.350 357 HG3 GLU 46 HG3 GLU 46 10.162 10.211 -4.318 358 H GLN 47 H GLN 47 11.296 11.846 0.371 359 HA GLN 47 HA GLN 47 13.754 13.460 0.438 360 HB2 GLN 47 HB2 GLN 47 11.029 13.700 1.776 361 HB3 GLN 47 HB3 GLN 47 12.386 14.781 2.096 362 HG2 GLN 47 HG2 GLN 47 12.403 15.490 -0.263 363 HG3 GLN 47 HG3 GLN 47 11.102 14.383 -0.646 364 HE21 GLN 47 HE21 GLN 47 11.700 16.776 1.999 365 HE22 GLN 47 HE22 GLN 47 10.178 17.610 1.842 366 H SER 48 H SER 48 11.782 12.491 3.175 367 HA SER 48 HA SER 48 14.049 12.160 4.900 368 HB2 SER 48 HB2 SER 48 11.881 13.126 5.568 369 HB3 SER 48 HB3 SER 48 11.083 11.569 5.303 370 HG SER 48 HG SER 48 11.854 12.257 7.521 371 H GLY 49 H GLY 49 11.470 9.842 3.971 372 HA2 GLY 49 HA2 GLY 49 12.369 7.628 3.060 373 HA3 GLY 49 HA3 GLY 49 13.330 7.567 4.539 374 H LEU 50 H LEU 50 11.989 5.484 4.653 375 HA LEU 50 HA LEU 50 9.175 5.640 5.308 376 HB2 LEU 50 HB2 LEU 50 10.416 3.734 4.153 377 HB3 LEU 50 HB3 LEU 50 11.274 3.469 5.666 378 HG LEU 50 HG LEU 50 8.952 3.107 6.735 379 HD11 LEU 50 HD11 LEU 50 7.653 4.048 4.754 380 HD12 LEU 50 HD12 LEU 50 7.145 2.447 5.266 381 HD13 LEU 50 HD13 LEU 50 8.163 2.622 3.829 382 HD21 LEU 50 HD21 LEU 50 9.079 0.805 6.258 383 HD22 LEU 50 HD22 LEU 50 10.734 1.381 6.169 384 HD23 LEU 50 HD23 LEU 50 9.834 1.067 4.671 385 HA PRO 51 HA PRO 51 9.914 6.328 9.703 386 HB2 PRO 51 HB2 PRO 51 7.535 5.560 10.828 387 HB3 PRO 51 HB3 PRO 51 7.694 7.040 9.844 388 HG2 PRO 51 HG2 PRO 51 6.723 4.329 8.966 389 HG3 PRO 51 HG3 PRO 51 5.954 5.912 8.674 390 HD2 PRO 51 HD2 PRO 51 7.504 4.698 6.824 391 HD3 PRO 51 HD3 PRO 51 7.558 6.460 7.006 392 H ALA 52 H ALA 52 10.477 5.143 11.570 393 HA ALA 52 HA ALA 52 11.246 2.448 11.284 394 HB1 ALA 52 HB1 ALA 52 10.841 4.092 13.820 395 HB2 ALA 52 HB2 ALA 52 11.794 2.603 13.694 396 HB3 ALA 52 HB3 ALA 52 12.315 4.054 12.824 397 H LYS 53 H LYS 53 8.093 3.520 11.730 398 HA LYS 53 HA LYS 53 7.117 1.329 13.453 399 HB2 LYS 53 HB2 LYS 53 5.572 3.405 11.862 400 HB3 LYS 53 HB3 LYS 53 4.969 2.400 13.167 401 HG2 LYS 53 HG2 LYS 53 6.977 4.688 13.405 402 HG3 LYS 53 HG3 LYS 53 5.296 4.665 13.952 403 HD2 LYS 53 HD2 LYS 53 5.892 2.737 15.473 404 HD3 LYS 53 HD3 LYS 53 7.603 2.982 15.030 405 HE2 LYS 53 HE2 LYS 53 7.391 5.363 15.823 406 HE3 LYS 53 HE3 LYS 53 5.754 4.979 16.380 407 HZ1 LYS 53 HZ1 LYS 53 6.954 3.092 17.623 408 HZ2 LYS 53 HZ2 LYS 53 7.032 4.603 18.245 409 HZ3 LYS 53 HZ3 LYS 53 8.314 3.981 17.403 410 H LEU 54 H LEU 54 7.075 2.268 10.009 411 HA LEU 54 HA LEU 54 5.321 -0.023 9.386 412 HB2 LEU 54 HB2 LEU 54 6.488 2.209 7.682 413 HB3 LEU 54 HB3 LEU 54 5.307 1.036 7.142 414 HG LEU 54 HG LEU 54 4.851 3.076 9.345 415 HD11 LEU 54 HD11 LEU 54 4.963 3.968 6.977 416 HD12 LEU 54 HD12 LEU 54 3.420 4.217 7.797 417 HD13 LEU 54 HD13 LEU 54 3.575 2.925 6.589 418 HD21 LEU 54 HD21 LEU 54 2.906 1.072 8.135 419 HD22 LEU 54 HD22 LEU 54 2.531 2.344 9.311 420 HD23 LEU 54 HD23 LEU 54 3.550 1.037 9.800 421 H ARG 55 H ARG 55 8.625 0.299 9.573 422 HA ARG 55 HA ARG 55 9.468 -1.111 7.240 423 HB2 ARG 55 HB2 ARG 55 11.658 -1.056 8.226 424 HB3 ARG 55 HB3 ARG 55 10.872 0.514 8.377 425 HG2 ARG 55 HG2 ARG 55 10.449 0.227 10.707 426 HG3 ARG 55 HG3 ARG 55 10.873 -1.500 10.684 427 HD2 ARG 55 HD2 ARG 55 13.122 -1.020 10.035 428 HD3 ARG 55 HD3 ARG 55 12.759 0.723 9.873 429 HE ARG 55 HE ARG 55 12.330 -0.460 12.531 430 HH11 ARG 55 HH11 ARG 55 14.857 0.787 10.394 431 HH12 ARG 55 HH12 ARG 55 15.883 1.345 11.666 432 HH21 ARG 55 HH21 ARG 55 13.568 0.412 14.246 433 HH22 ARG 55 HH22 ARG 55 15.104 1.131 13.944 434 H HIS 56 H HIS 56 7.543 -2.512 8.679 435 HA HIS 56 HA HIS 56 8.523 -4.771 10.109 436 HB2 HIS 56 HB2 HIS 56 5.993 -3.997 9.451 437 HB3 HIS 56 HB3 HIS 56 6.180 -5.335 8.347 438 HD1 HIS 56 HD1 HIS 56 5.965 -4.646 12.172 439 HD2 HIS 56 HD2 HIS 56 6.320 -7.834 9.405 440 HE1 HIS 56 HE1 HIS 56 5.598 -6.773 13.461 441 H GLU 57 H GLU 57 8.507 -7.036 9.401 442 HA GLU 57 HA GLU 57 10.512 -7.777 7.829 443 HB2 GLU 57 HB2 GLU 57 7.953 -9.349 8.295 444 HB3 GLU 57 HB3 GLU 57 9.504 -10.035 7.779 445 HG2 GLU 57 HG2 GLU 57 10.572 -9.301 9.849 446 HG3 GLU 57 HG3 GLU 57 9.082 -8.524 10.386 447 H GLN 58 H GLN 58 7.153 -7.535 6.566 448 HA GLN 58 HA GLN 58 8.149 -7.494 3.792 449 HB2 GLN 58 HB2 GLN 58 5.907 -9.298 4.826 450 HB3 GLN 58 HB3 GLN 58 6.276 -8.986 3.139 451 HG2 GLN 58 HG2 GLN 58 7.544 -10.807 3.171 452 HG3 GLN 58 HG3 GLN 58 8.732 -9.871 4.048 453 HE21 GLN 58 HE21 GLN 58 9.607 -11.446 5.390 454 HE22 GLN 58 HE22 GLN 58 8.662 -12.361 6.545 455 H ILE 59 H ILE 59 6.908 -6.108 2.509 456 HA ILE 59 HA ILE 59 4.477 -4.968 3.669 457 HB ILE 59 HB ILE 59 5.132 -2.825 3.686 458 HG12 ILE 59 HG12 ILE 59 7.533 -3.497 1.955 459 HG13 ILE 59 HG13 ILE 59 6.049 -2.758 1.362 460 HG21 ILE 59 HG21 ILE 59 6.332 -4.051 5.505 461 HG22 ILE 59 HG22 ILE 59 7.776 -4.093 4.473 462 HG23 ILE 59 HG23 ILE 59 7.098 -2.564 5.046 463 HD11 ILE 59 HD11 ILE 59 7.591 -1.029 1.597 464 HD12 ILE 59 HD12 ILE 59 6.321 -0.865 2.840 465 HD13 ILE 59 HD13 ILE 59 7.959 -1.480 3.260 466 H ILE 60 H ILE 60 3.365 -3.618 1.913 467 HA ILE 60 HA ILE 60 3.949 -4.457 -0.885 468 HB ILE 60 HB ILE 60 1.267 -4.501 0.516 469 HG12 ILE 60 HG12 ILE 60 2.037 -7.025 -0.838 470 HG13 ILE 60 HG13 ILE 60 3.024 -6.638 0.528 471 HG21 ILE 60 HG21 ILE 60 1.891 -5.096 -2.400 472 HG22 ILE 60 HG22 ILE 60 0.336 -5.445 -1.613 473 HG23 ILE 60 HG23 ILE 60 0.876 -3.777 -1.765 474 HD11 ILE 60 HD11 ILE 60 0.749 -6.244 1.808 475 HD12 ILE 60 HD12 ILE 60 0.025 -7.074 0.422 476 HD13 ILE 60 HD13 ILE 60 1.247 -7.884 1.450 477 H PHE 61 H PHE 61 3.288 -2.848 -2.409 478 HA PHE 61 HA PHE 61 2.530 -0.200 -1.304 479 HB2 PHE 61 HB2 PHE 61 4.312 -0.856 -3.689 480 HB3 PHE 61 HB3 PHE 61 3.767 0.748 -3.248 481 HD1 PHE 61 HD1 PHE 61 4.212 1.043 -0.438 482 HD2 PHE 61 HD2 PHE 61 6.664 -0.979 -3.350 483 HE1 PHE 61 HE1 PHE 61 6.247 1.508 0.920 484 HE2 PHE 61 HE2 PHE 61 8.700 -0.463 -1.961 485 HZ PHE 61 HZ PHE 61 8.456 0.830 0.114 486 H HIS 62 H HIS 62 0.889 0.934 -2.497 487 HA HIS 62 HA HIS 62 -0.188 -0.251 -4.952 488 HB2 HIS 62 HB2 HIS 62 -2.420 -0.575 -3.991 489 HB3 HIS 62 HB3 HIS 62 -1.249 -1.532 -3.067 490 HD1 HIS 62 HD1 HIS 62 -1.180 1.991 -1.921 491 HD2 HIS 62 HD2 HIS 62 -3.265 -1.613 -1.198 492 HE1 HIS 62 HE1 HIS 62 -2.224 2.209 0.381 493 H CYS 63 H CYS 63 -1.721 1.269 -6.002 494 HA CYS 63 HA CYS 63 -1.468 4.070 -5.025 495 HB2 CYS 63 HB2 CYS 63 -1.504 2.954 -7.846 496 HB3 CYS 63 HB3 CYS 63 -1.659 4.683 -7.466 497 HG CYS 63 HG CYS 63 0.799 3.607 -8.229 498 H GLN 64 H GLN 64 -3.365 5.282 -6.643 499 HA GLN 64 HA GLN 64 -5.785 4.585 -5.220 500 HB2 GLN 64 HB2 GLN 64 -5.121 6.896 -5.732 501 HB3 GLN 64 HB3 GLN 64 -5.237 6.570 -7.461 502 HG2 GLN 64 HG2 GLN 64 -7.650 6.204 -7.276 503 HG3 GLN 64 HG3 GLN 64 -7.555 6.387 -5.512 504 HE21 GLN 64 HE21 GLN 64 -9.139 8.212 -5.756 505 HE22 GLN 64 HE22 GLN 64 -8.478 9.764 -6.224 506 H ALA 65 H ALA 65 -4.829 4.570 -8.662 507 HA ALA 65 HA ALA 65 -6.034 2.054 -9.333 508 HB1 ALA 65 HB1 ALA 65 -7.790 2.891 -10.855 509 HB2 ALA 65 HB2 ALA 65 -8.181 3.331 -9.189 510 HB3 ALA 65 HB3 ALA 65 -7.506 4.546 -10.310 511 H GLY 66 H GLY 66 -3.564 2.292 -9.819 512 HA2 GLY 66 HA2 GLY 66 -3.310 3.166 -12.583 513 HA3 GLY 66 HA3 GLY 66 -2.382 4.107 -11.411 514 H LYS 67 H LYS 67 -1.101 3.019 -13.317 515 HA LYS 67 HA LYS 67 0.253 0.535 -12.387 516 HB2 LYS 67 HB2 LYS 67 0.032 1.853 -15.135 517 HB3 LYS 67 HB3 LYS 67 0.977 0.404 -14.770 518 HG2 LYS 67 HG2 LYS 67 -1.155 -0.650 -13.856 519 HG3 LYS 67 HG3 LYS 67 -2.046 0.711 -14.544 520 HD2 LYS 67 HD2 LYS 67 -1.365 0.138 -16.788 521 HD3 LYS 67 HD3 LYS 67 -0.159 -1.009 -16.192 522 HE2 LYS 67 HE2 LYS 67 -1.861 -2.478 -16.727 523 HE3 LYS 67 HE3 LYS 67 -2.200 -2.175 -15.017 524 HZ1 LYS 67 HZ1 LYS 67 -3.598 -1.230 -17.391 525 HZ2 LYS 67 HZ2 LYS 67 -3.720 -0.314 -16.018 526 HZ3 LYS 67 HZ3 LYS 67 -4.220 -1.866 -16.025 527 H ARG 68 H ARG 68 0.782 3.765 -12.045 528 HA ARG 68 HA ARG 68 3.391 4.304 -12.963 529 HB2 ARG 68 HB2 ARG 68 1.837 5.273 -10.528 530 HB3 ARG 68 HB3 ARG 68 3.433 5.914 -10.950 531 HG2 ARG 68 HG2 ARG 68 2.670 6.754 -13.066 532 HG3 ARG 68 HG3 ARG 68 1.127 5.905 -12.927 533 HD2 ARG 68 HD2 ARG 68 0.858 8.278 -12.490 534 HD3 ARG 68 HD3 ARG 68 0.438 7.306 -11.068 535 HE ARG 68 HE ARG 68 3.181 8.138 -10.919 536 HH11 ARG 68 HH11 ARG 68 -0.044 9.597 -10.668 537 HH12 ARG 68 HH12 ARG 68 0.462 10.750 -9.459 538 HH21 ARG 68 HH21 ARG 68 3.835 9.648 -9.473 539 HH22 ARG 68 HH22 ARG 68 2.726 10.688 -8.644 540 H THR 69 H THR 69 2.557 1.991 -10.522 541 HA THR 69 HA THR 69 4.896 2.135 -8.899 542 HB THR 69 HB THR 69 4.054 -0.400 -8.594 543 HG1 THR 69 HG1 THR 69 2.599 -0.531 -10.175 544 HG21 THR 69 HG21 THR 69 2.475 2.042 -7.686 545 HG22 THR 69 HG22 THR 69 3.839 1.318 -6.834 546 HG23 THR 69 HG23 THR 69 2.325 0.416 -6.990 547 H SER 70 H SER 70 6.396 0.136 -8.870 548 HA SER 70 HA SER 70 8.136 -0.894 -9.733 549 HB2 SER 70 HB2 SER 70 5.946 -1.878 -11.153 550 HB3 SER 70 HB3 SER 70 7.166 -1.594 -12.400 551 HG SER 70 HG SER 70 8.545 -2.947 -11.349 552 H ASN 71 H ASN 71 7.351 2.089 -10.971 553 HA ASN 71 HA ASN 71 9.360 2.176 -13.079 554 HB2 ASN 71 HB2 ASN 71 8.636 4.200 -13.643 555 HB3 ASN 71 HB3 ASN 71 7.173 3.642 -12.858 556 HD21 ASN 71 HD21 ASN 71 6.656 4.614 -10.731 557 HD22 ASN 71 HD22 ASN 71 7.449 6.098 -10.213 558 H ASN 72 H ASN 72 9.126 3.207 -9.684 559 HA ASN 72 HA ASN 72 12.063 3.802 -9.705 560 HB2 ASN 72 HB2 ASN 72 9.862 4.849 -7.891 561 HB3 ASN 72 HB3 ASN 72 11.578 5.085 -7.570 562 HD21 ASN 72 HD21 ASN 72 9.866 7.289 -7.986 563 HD22 ASN 72 HD22 ASN 72 10.238 8.008 -9.530 564 H ALA 73 H ALA 73 10.918 1.137 -9.618 565 HA ALA 73 HA ALA 73 10.761 -0.056 -7.132 566 HB1 ALA 73 HB1 ALA 73 11.540 -2.114 -8.424 567 HB2 ALA 73 HB2 ALA 73 10.186 -1.246 -9.163 568 HB3 ALA 73 HB3 ALA 73 11.830 -1.046 -9.803 569 H ASP 74 H ASP 74 13.655 1.024 -8.834 570 HA ASP 74 HA ASP 74 15.602 -0.473 -7.452 571 HB2 ASP 74 HB2 ASP 74 15.652 1.287 -9.517 572 HB3 ASP 74 HB3 ASP 74 16.281 2.350 -8.272 573 H LYS 75 H LYS 75 14.599 2.867 -6.876 574 HA LYS 75 HA LYS 75 15.908 3.174 -4.318 575 HB2 LYS 75 HB2 LYS 75 14.565 5.207 -4.109 576 HB3 LYS 75 HB3 LYS 75 15.816 5.129 -5.359 577 HG2 LYS 75 HG2 LYS 75 12.915 4.691 -5.850 578 HG3 LYS 75 HG3 LYS 75 13.786 6.225 -5.815 579 HD2 LYS 75 HD2 LYS 75 15.342 4.572 -7.534 580 HD3 LYS 75 HD3 LYS 75 13.656 4.230 -7.919 581 HE2 LYS 75 HE2 LYS 75 13.892 6.161 -9.222 582 HE3 LYS 75 HE3 LYS 75 13.583 6.946 -7.648 583 HZ1 LYS 75 HZ1 LYS 75 16.262 6.411 -8.749 584 HZ2 LYS 75 HZ2 LYS 75 15.944 7.177 -7.328 585 HZ3 LYS 75 HZ3 LYS 75 15.509 7.858 -8.760 586 H LEU 76 H LEU 76 12.600 2.701 -5.371 587 HA LEU 76 HA LEU 76 11.376 2.735 -2.784 588 HB2 LEU 76 HB2 LEU 76 10.595 1.128 -5.243 589 HB3 LEU 76 HB3 LEU 76 9.656 1.078 -3.757 590 HG LEU 76 HG LEU 76 10.215 3.632 -5.330 591 HD11 LEU 76 HD11 LEU 76 7.691 1.949 -5.096 592 HD12 LEU 76 HD12 LEU 76 8.766 2.020 -6.531 593 HD13 LEU 76 HD13 LEU 76 7.862 3.454 -6.016 594 HD21 LEU 76 HD21 LEU 76 8.319 4.501 -3.886 595 HD22 LEU 76 HD22 LEU 76 9.760 4.136 -2.961 596 HD23 LEU 76 HD23 LEU 76 8.367 2.994 -2.957 597 H ALA 77 H ALA 77 12.771 -0.111 -4.512 598 HA ALA 77 HA ALA 77 12.261 -2.045 -2.463 599 HB1 ALA 77 HB1 ALA 77 14.146 -3.263 -3.392 600 HB2 ALA 77 HB2 ALA 77 13.069 -2.620 -4.653 601 HB3 ALA 77 HB3 ALA 77 14.638 -1.843 -4.341 602 H ALA 78 H ALA 78 15.150 0.162 -2.951 603 HA ALA 78 HA ALA 78 16.527 -0.730 -0.639 604 HB1 ALA 78 HB1 ALA 78 17.954 1.242 -1.015 605 HB2 ALA 78 HB2 ALA 78 17.615 0.382 -2.531 606 HB3 ALA 78 HB3 ALA 78 16.758 1.899 -2.151 607 H ILE 79 H ILE 79 14.132 1.925 -0.948 608 HA ILE 79 HA ILE 79 14.722 3.120 1.608 609 HB ILE 79 HB ILE 79 12.262 3.186 -0.196 610 HG12 ILE 79 HG12 ILE 79 14.161 5.463 0.445 611 HG13 ILE 79 HG13 ILE 79 14.492 4.370 -0.899 612 HG21 ILE 79 HG21 ILE 79 11.469 3.660 2.054 613 HG22 ILE 79 HG22 ILE 79 12.838 4.770 2.352 614 HG23 ILE 79 HG23 ILE 79 11.579 5.189 1.188 615 HD11 ILE 79 HD11 ILE 79 12.079 6.232 -0.618 616 HD12 ILE 79 HD12 ILE 79 13.395 6.324 -1.780 617 HD13 ILE 79 HD13 ILE 79 12.239 4.980 -1.869 618 H ALA 80 H ALA 80 12.543 0.527 0.505 619 HA ALA 80 HA ALA 80 11.258 0.210 3.095 620 HB1 ALA 80 HB1 ALA 80 10.133 -1.660 1.965 621 HB2 ALA 80 HB2 ALA 80 10.137 -0.240 0.890 622 HB3 ALA 80 HB3 ALA 80 11.289 -1.552 0.618 623 H ALA 81 H ALA 81 14.015 -1.275 1.441 624 HA ALA 81 HA ALA 81 14.170 -3.710 2.779 625 HB1 ALA 81 HB1 ALA 81 16.410 -1.938 1.727 626 HB2 ALA 81 HB2 ALA 81 16.545 -3.676 2.078 627 HB3 ALA 81 HB3 ALA 81 15.490 -3.118 0.781 628 HA PRO 82 HA PRO 82 16.001 -5.106 3.791 629 HB2 PRO 82 HB2 PRO 82 16.622 -6.400 6.075 630 HB3 PRO 82 HB3 PRO 82 17.763 -5.263 5.302 631 HG2 PRO 82 HG2 PRO 82 15.878 -4.699 7.623 632 HG3 PRO 82 HG3 PRO 82 17.614 -4.316 7.496 633 HD2 PRO 82 HD2 PRO 82 15.618 -2.512 6.901 634 HD3 PRO 82 HD3 PRO 82 17.198 -2.497 6.088 635 H ALA 83 H ALA 83 13.826 -5.377 3.143 636 HA ALA 83 HA ALA 83 12.154 -7.071 4.723 637 HB1 ALA 83 HB1 ALA 83 11.463 -4.805 5.617 638 HB2 ALA 83 HB2 ALA 83 11.178 -4.276 3.939 639 HB3 ALA 83 HB3 ALA 83 10.182 -5.553 4.646 640 H GLU 84 H GLU 84 10.223 -7.570 3.361 641 HA GLU 84 HA GLU 84 11.051 -7.754 0.511 642 HB2 GLU 84 HB2 GLU 84 8.666 -8.994 1.938 643 HB3 GLU 84 HB3 GLU 84 9.142 -9.267 0.265 644 HG2 GLU 84 HG2 GLU 84 11.401 -9.991 1.113 645 HG3 GLU 84 HG3 GLU 84 10.753 -9.992 2.756 646 H ILE 85 H ILE 85 9.829 -6.878 -1.144 647 HA ILE 85 HA ILE 85 7.598 -5.092 -0.374 648 HB ILE 85 HB ILE 85 8.496 -3.716 -2.372 649 HG12 ILE 85 HG12 ILE 85 10.488 -5.304 -2.744 650 HG13 ILE 85 HG13 ILE 85 10.734 -3.564 -2.810 651 HG21 ILE 85 HG21 ILE 85 9.642 -2.229 -0.797 652 HG22 ILE 85 HG22 ILE 85 8.053 -2.786 -0.265 653 HG23 ILE 85 HG23 ILE 85 9.515 -3.506 0.446 654 HD11 ILE 85 HD11 ILE 85 12.554 -4.762 -1.622 655 HD12 ILE 85 HD12 ILE 85 11.772 -3.519 -0.633 656 HD13 ILE 85 HD13 ILE 85 11.398 -5.219 -0.357 657 H PHE 86 H PHE 86 5.803 -5.266 -1.571 658 HA PHE 86 HA PHE 86 5.909 -6.758 -4.133 659 HB2 PHE 86 HB2 PHE 86 3.868 -6.991 -1.922 660 HB3 PHE 86 HB3 PHE 86 3.697 -7.730 -3.508 661 HD1 PHE 86 HD1 PHE 86 5.298 -7.953 -0.224 662 HD2 PHE 86 HD2 PHE 86 5.091 -9.672 -4.174 663 HE1 PHE 86 HE1 PHE 86 6.534 -9.953 0.582 664 HE2 PHE 86 HE2 PHE 86 6.309 -11.676 -3.359 665 HZ PHE 86 HZ PHE 86 7.052 -11.809 -0.995 666 H LEU 87 H LEU 87 3.807 -6.379 -5.345 667 HA LEU 87 HA LEU 87 2.808 -3.572 -5.114 668 HB2 LEU 87 HB2 LEU 87 3.634 -5.138 -7.609 669 HB3 LEU 87 HB3 LEU 87 2.832 -3.569 -7.629 670 HG LEU 87 HG LEU 87 5.595 -4.135 -6.499 671 HD11 LEU 87 HD11 LEU 87 5.552 -4.288 -8.920 672 HD12 LEU 87 HD12 LEU 87 6.397 -2.821 -8.431 673 HD13 LEU 87 HD13 LEU 87 4.727 -2.727 -9.051 674 HD21 LEU 87 HD21 LEU 87 3.944 -1.584 -6.708 675 HD22 LEU 87 HD22 LEU 87 5.719 -1.589 -6.491 676 HD23 LEU 87 HD23 LEU 87 4.676 -2.313 -5.268 677 H LEU 88 H LEU 88 0.791 -3.247 -6.217 678 HA LEU 88 HA LEU 88 -0.978 -5.634 -6.226 679 HB2 LEU 88 HB2 LEU 88 -1.395 -3.734 -4.581 680 HB3 LEU 88 HB3 LEU 88 -1.649 -2.672 -5.953 681 HG LEU 88 HG LEU 88 -3.584 -4.116 -6.676 682 HD11 LEU 88 HD11 LEU 88 -3.143 -6.281 -5.805 683 HD12 LEU 88 HD12 LEU 88 -4.481 -5.667 -4.817 684 HD13 LEU 88 HD13 LEU 88 -2.836 -5.674 -4.172 685 HD21 LEU 88 HD21 LEU 88 -5.139 -3.388 -4.942 686 HD22 LEU 88 HD22 LEU 88 -3.943 -2.123 -5.213 687 HD23 LEU 88 HD23 LEU 88 -3.813 -3.153 -3.783 688 H GLU 89 H GLU 89 -2.095 -6.056 -8.208 689 HA GLU 89 HA GLU 89 -0.931 -5.087 -10.621 690 HB2 GLU 89 HB2 GLU 89 -3.315 -6.759 -9.833 691 HB3 GLU 89 HB3 GLU 89 -3.265 -6.151 -11.474 692 HG2 GLU 89 HG2 GLU 89 -1.108 -7.854 -10.171 693 HG3 GLU 89 HG3 GLU 89 -2.318 -8.399 -11.323 694 H ASP 90 H ASP 90 -3.401 -3.685 -8.660 695 HA ASP 90 HA ASP 90 -3.857 -1.514 -10.574 696 HB2 ASP 90 HB2 ASP 90 -5.604 -3.338 -10.886 697 HB3 ASP 90 HB3 ASP 90 -6.103 -3.062 -9.217 698 H GLY 91 H GLY 91 -5.668 -0.109 -8.984 699 HA2 GLY 91 HA2 GLY 91 -4.022 0.398 -6.534 700 HA3 GLY 91 HA3 GLY 91 -5.169 1.499 -7.280 701 H ILE 92 H ILE 92 -5.881 1.661 -4.969 702 HA ILE 92 HA ILE 92 -7.015 -0.345 -3.461 703 HB ILE 92 HB ILE 92 -6.398 1.964 -2.862 704 HG12 ILE 92 HG12 ILE 92 -7.818 0.272 -1.492 705 HG13 ILE 92 HG13 ILE 92 -7.481 1.886 -0.896 706 HG21 ILE 92 HG21 ILE 92 -9.121 2.820 -3.875 707 HG22 ILE 92 HG22 ILE 92 -8.030 3.782 -2.858 708 HG23 ILE 92 HG23 ILE 92 -7.537 3.319 -4.486 709 HD11 ILE 92 HD11 ILE 92 -10.092 1.021 -2.184 710 HD12 ILE 92 HD12 ILE 92 -9.775 1.138 -0.446 711 HD13 ILE 92 HD13 ILE 92 -9.745 2.597 -1.451 712 H ASP 93 H ASP 93 -8.271 1.067 -6.308 713 HA ASP 93 HA ASP 93 -11.069 0.598 -6.128 714 HB2 ASP 93 HB2 ASP 93 -10.086 1.744 -8.032 715 HB3 ASP 93 HB3 ASP 93 -9.268 0.256 -8.542 716 H GLY 94 H GLY 94 -8.395 -1.677 -6.901 717 HA2 GLY 94 HA2 GLY 94 -10.127 -3.967 -7.302 718 HA3 GLY 94 HA3 GLY 94 -8.358 -3.939 -7.257 719 H TRP 95 H TRP 95 -8.572 -2.526 -4.491 720 HA TRP 95 HA TRP 95 -8.284 -4.864 -2.873 721 HB2 TRP 95 HB2 TRP 95 -7.264 -2.696 -2.327 722 HB3 TRP 95 HB3 TRP 95 -8.853 -1.978 -2.070 723 HD1 TRP 95 HD1 TRP 95 -10.187 -2.610 0.132 724 HE1 TRP 95 HE1 TRP 95 -9.476 -3.468 2.366 725 HE3 TRP 95 HE3 TRP 95 -5.471 -4.163 -1.133 726 HZ2 TRP 95 HZ2 TRP 95 -7.168 -4.936 3.488 727 HZ3 TRP 95 HZ3 TRP 95 -4.045 -5.294 0.538 728 HH2 TRP 95 HH2 TRP 95 -4.887 -5.706 2.846 729 H LYS 96 H LYS 96 -10.932 -2.429 -2.990 730 HA LYS 96 HA LYS 96 -12.726 -3.913 -1.308 731 HB2 LYS 96 HB2 LYS 96 -13.122 -1.759 -3.383 732 HB3 LYS 96 HB3 LYS 96 -14.501 -2.504 -2.552 733 HG2 LYS 96 HG2 LYS 96 -13.667 -1.840 -0.380 734 HG3 LYS 96 HG3 LYS 96 -12.199 -1.170 -1.078 735 HD2 LYS 96 HD2 LYS 96 -14.092 0.401 -0.317 736 HD3 LYS 96 HD3 LYS 96 -13.264 0.773 -1.796 737 HE2 LYS 96 HE2 LYS 96 -15.959 -0.631 -1.615 738 HE3 LYS 96 HE3 LYS 96 -15.749 1.102 -1.812 739 HZ1 LYS 96 HZ1 LYS 96 -16.197 0.052 -3.875 740 HZ2 LYS 96 HZ2 LYS 96 -14.861 -0.912 -3.793 741 HZ3 LYS 96 HZ3 LYS 96 -14.693 0.708 -3.933 742 H LYS 97 H LYS 97 -12.177 -4.070 -4.814 743 HA LYS 97 HA LYS 97 -14.477 -5.531 -5.594 744 HB2 LYS 97 HB2 LYS 97 -12.806 -4.695 -7.228 745 HB3 LYS 97 HB3 LYS 97 -11.616 -5.809 -6.594 746 HG2 LYS 97 HG2 LYS 97 -12.204 -6.931 -8.468 747 HG3 LYS 97 HG3 LYS 97 -13.217 -7.729 -7.298 748 HD2 LYS 97 HD2 LYS 97 -14.515 -7.377 -9.242 749 HD3 LYS 97 HD3 LYS 97 -15.136 -6.208 -8.063 750 HE2 LYS 97 HE2 LYS 97 -13.955 -4.394 -9.117 751 HE3 LYS 97 HE3 LYS 97 -12.926 -5.495 -10.039 752 HZ1 LYS 97 HZ1 LYS 97 -14.768 -6.095 -11.387 753 HZ2 LYS 97 HZ2 LYS 97 -14.694 -4.445 -11.343 754 HZ3 LYS 97 HZ3 LYS 97 -15.828 -5.228 -10.463 755 H ALA 98 H ALA 98 -11.371 -6.792 -4.248 756 HA ALA 98 HA ALA 98 -12.030 -9.521 -4.339 757 HB1 ALA 98 HB1 ALA 98 -10.266 -9.730 -2.603 758 HB2 ALA 98 HB2 ALA 98 -9.767 -8.677 -3.940 759 HB3 ALA 98 HB3 ALA 98 -10.279 -7.974 -2.388 760 H GLY 99 H GLY 99 -13.361 -7.079 -2.240 761 HA2 GLY 99 HA2 GLY 99 -15.330 -7.431 -1.000 762 HA3 GLY 99 HA3 GLY 99 -14.880 -9.111 -0.710 763 H LEU 100 H LEU 100 -12.265 -6.956 -0.354 764 HA LEU 100 HA LEU 100 -12.004 -7.433 2.472 765 HB2 LEU 100 HB2 LEU 100 -10.425 -5.706 0.534 766 HB3 LEU 100 HB3 LEU 100 -9.882 -6.127 2.140 767 HG LEU 100 HG LEU 100 -10.373 -8.158 -0.086 768 HD11 LEU 100 HD11 LEU 100 -7.804 -6.951 1.005 769 HD12 LEU 100 HD12 LEU 100 -8.489 -6.698 -0.609 770 HD13 LEU 100 HD13 LEU 100 -7.899 -8.300 -0.150 771 HD21 LEU 100 HD21 LEU 100 -9.127 -9.700 1.435 772 HD22 LEU 100 HD22 LEU 100 -10.674 -9.188 2.110 773 HD23 LEU 100 HD23 LEU 100 -9.191 -8.455 2.704 774 HA PRO 101 HA PRO 101 -13.777 -3.696 4.046 775 HB2 PRO 101 HB2 PRO 101 -12.406 -3.277 6.373 776 HB3 PRO 101 HB3 PRO 101 -13.432 -4.721 6.119 777 HG2 PRO 101 HG2 PRO 101 -10.426 -4.484 5.704 778 HG3 PRO 101 HG3 PRO 101 -11.312 -5.699 6.683 779 HD2 PRO 101 HD2 PRO 101 -10.571 -6.225 4.130 780 HD3 PRO 101 HD3 PRO 101 -12.151 -6.783 4.756 781 H VAL 102 H VAL 102 -13.318 -1.465 4.932 782 HA VAL 102 HA VAL 102 -10.845 -0.201 3.944 783 HB VAL 102 HB VAL 102 -12.445 1.721 3.188 784 HG11 VAL 102 HG11 VAL 102 -12.268 1.088 0.941 785 HG12 VAL 102 HG12 VAL 102 -10.830 0.496 1.759 786 HG13 VAL 102 HG13 VAL 102 -12.114 -0.657 1.357 787 HG21 VAL 102 HG21 VAL 102 -14.511 1.084 2.163 788 HG22 VAL 102 HG22 VAL 102 -14.273 -0.628 2.573 789 HG23 VAL 102 HG23 VAL 102 -14.556 0.565 3.854 790 H ALA 103 H ALA 103 -10.574 1.917 4.757 791 HA ALA 103 HA ALA 103 -11.273 2.207 7.599 792 HB1 ALA 103 HB1 ALA 103 -8.896 2.363 6.976 793 HB2 ALA 103 HB2 ALA 103 -9.259 3.689 5.843 794 HB3 ALA 103 HB3 ALA 103 -9.479 3.910 7.584 795 H VAL 104 H VAL 104 -13.496 2.534 6.099 796 HA VAL 104 HA VAL 104 -13.871 5.393 5.422 797 HB VAL 104 HB VAL 104 -16.223 4.663 4.952 798 HG11 VAL 104 HG11 VAL 104 -15.660 3.215 2.961 799 HG12 VAL 104 HG12 VAL 104 -14.857 4.771 3.074 800 HG13 VAL 104 HG13 VAL 104 -13.969 3.286 3.486 801 HG21 VAL 104 HG21 VAL 104 -16.786 2.267 4.856 802 HG22 VAL 104 HG22 VAL 104 -15.237 1.853 5.605 803 HG23 VAL 104 HG23 VAL 104 -16.435 2.813 6.497 804 H ASN 105 H ASN 105 -15.795 6.391 6.425 805 HA ASN 105 HA ASN 105 -15.752 5.986 9.380 806 HB2 ASN 105 HB2 ASN 105 -15.377 8.275 8.798 807 HB3 ASN 105 HB3 ASN 105 -16.640 8.230 7.555 808 HD21 ASN 105 HD21 ASN 105 -18.493 9.242 8.157 809 HD22 ASN 105 HD22 ASN 105 -19.222 9.154 9.717 810 H LYS 106 H LYS 106 -17.138 4.230 9.777 811 HA LYS 106 HA LYS 106 -19.936 4.569 9.236 812 HB2 LYS 106 HB2 LYS 106 -18.943 3.648 6.985 813 HB3 LYS 106 HB3 LYS 106 -18.631 2.166 7.869 814 HG2 LYS 106 HG2 LYS 106 -21.099 2.070 8.437 815 HG3 LYS 106 HG3 LYS 106 -21.334 3.517 7.453 816 HD2 LYS 106 HD2 LYS 106 -20.586 2.321 5.448 817 HD3 LYS 106 HD3 LYS 106 -20.126 0.916 6.407 818 HE2 LYS 106 HE2 LYS 106 -22.257 0.539 5.259 819 HE3 LYS 106 HE3 LYS 106 -22.443 0.464 7.020 820 HZ1 LYS 106 HZ1 LYS 106 -23.443 2.583 7.011 821 HZ2 LYS 106 HZ2 LYS 106 -24.185 1.736 5.834 822 HZ3 LYS 106 HZ3 LYS 106 -23.077 2.888 5.439 823 H SER 107 H SER 107 -21.057 3.413 10.771 824 HA SER 107 HA SER 107 -19.558 1.749 12.665 825 HB2 SER 107 HB2 SER 107 -21.404 3.517 13.169 826 HB3 SER 107 HB3 SER 107 -22.558 2.324 12.557 827 HG SER 107 HG SER 107 -20.717 2.026 14.726 828 H GLN 108 H GLN 108 -21.395 -0.260 13.291 829 HA GLN 108 HA GLN 108 -21.383 -1.873 10.787 830 HB2 GLN 108 HB2 GLN 108 -21.672 -2.670 13.708 831 HB3 GLN 108 HB3 GLN 108 -22.080 -3.755 12.379 832 HG2 GLN 108 HG2 GLN 108 -19.342 -2.524 12.871 833 HG3 GLN 108 HG3 GLN 108 -19.817 -4.189 13.226 834 HE21 GLN 108 HE21 GLN 108 -17.598 -3.656 11.609 835 HE22 GLN 108 HE22 GLN 108 -17.938 -4.122 9.965
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