NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606458 | 5lam | 34009 | 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 12.778 -9.337 -0.264 2 HA ALA 1 HA ALA 1 11.975 -7.118 -0.315 3 HB1 ALA 1 HB1 ALA 1 12.996 -5.388 -1.712 4 HB2 ALA 1 HB2 ALA 1 14.239 -6.115 -0.690 5 HB3 ALA 1 HB3 ALA 1 14.133 -6.566 -2.407 6 H LEU 2 H LEU 2 11.463 -5.933 -2.811 7 HA LEU 2 HA LEU 2 9.417 -6.264 -4.009 8 HB2 LEU 2 HB2 LEU 2 11.808 -7.021 -5.736 9 HB3 LEU 2 HB3 LEU 2 10.270 -6.391 -6.308 10 HG LEU 2 HG LEU 2 12.348 -4.933 -4.625 11 HD11 LEU 2 HD11 LEU 2 12.885 -5.136 -6.984 12 HD12 LEU 2 HD12 LEU 2 12.474 -3.460 -6.597 13 HD13 LEU 2 HD13 LEU 2 11.298 -4.505 -7.452 14 HD21 LEU 2 HD21 LEU 2 10.766 -2.943 -4.941 15 HD22 LEU 2 HD22 LEU 2 10.317 -4.136 -3.759 16 HD23 LEU 2 HD23 LEU 2 9.506 -4.125 -5.349 17 H THR 3 H THR 3 8.114 -7.944 -3.303 18 HA THR 3 HA THR 3 8.519 -10.502 -4.741 19 HB THR 3 HB THR 3 7.715 -9.886 -1.911 20 HG1 THR 3 HG1 THR 3 9.917 -10.124 -2.403 21 HG21 THR 3 HG21 THR 3 6.166 -11.684 -2.387 22 HG22 THR 3 HG22 THR 3 7.533 -12.344 -1.475 23 HG23 THR 3 HG23 THR 3 7.426 -12.614 -3.225 24 H THR 4 H THR 4 6.471 -8.056 -5.131 25 HA THR 4 HA THR 4 4.162 -7.936 -5.718 26 HB THR 4 HB THR 4 4.024 -9.326 -7.991 27 HG1 THR 4 HG1 THR 4 6.803 -9.018 -7.526 28 HG21 THR 4 HG21 THR 4 5.220 -7.455 -9.099 29 HG22 THR 4 HG22 THR 4 5.766 -6.879 -7.514 30 HG23 THR 4 HG23 THR 4 4.028 -6.920 -7.907 31 H ILE 5 H ILE 5 3.352 -8.988 -3.776 32 HA ILE 5 HA ILE 5 2.618 -11.803 -3.953 33 HB ILE 5 HB ILE 5 3.406 -10.943 -1.909 34 HG12 ILE 5 HG12 ILE 5 0.543 -11.417 -1.208 35 HG13 ILE 5 HG13 ILE 5 1.536 -12.691 -1.944 36 HG21 ILE 5 HG21 ILE 5 2.331 -9.218 -0.539 37 HG22 ILE 5 HG22 ILE 5 2.682 -8.544 -2.124 38 HG23 ILE 5 HG23 ILE 5 1.032 -9.045 -1.742 39 HD11 ILE 5 HD11 ILE 5 3.227 -12.494 -0.211 40 HD12 ILE 5 HD12 ILE 5 2.393 -11.125 0.524 41 HD13 ILE 5 HD13 ILE 5 1.642 -12.740 0.554 42 H SER 6 H SER 6 0.589 -12.604 -4.057 43 HA SER 6 HA SER 6 -1.301 -11.187 -5.702 44 HB2 SER 6 HB2 SER 6 -1.196 -13.918 -4.318 45 HB3 SER 6 HB3 SER 6 -2.431 -13.466 -5.498 46 HG SER 6 HG SER 6 -0.057 -14.469 -6.017 47 HA PRO 7 HA PRO 7 -4.018 -9.902 -2.455 48 HB2 PRO 7 HB2 PRO 7 -6.542 -10.226 -3.440 49 HB3 PRO 7 HB3 PRO 7 -5.359 -9.042 -4.066 50 HG2 PRO 7 HG2 PRO 7 -6.005 -11.777 -5.204 51 HG3 PRO 7 HG3 PRO 7 -5.860 -10.214 -6.079 52 HD2 PRO 7 HD2 PRO 7 -3.829 -12.024 -5.939 53 HD3 PRO 7 HD3 PRO 7 -3.541 -10.265 -6.022 54 H HIS 8 H HIS 8 -5.970 -10.748 -1.102 55 HA HIS 8 HA HIS 8 -6.901 -12.200 0.276 56 HB2 HIS 8 HB2 HIS 8 -7.081 -13.644 -1.937 57 HB3 HIS 8 HB3 HIS 8 -5.901 -14.661 -1.125 58 HD1 HIS 8 HD1 HIS 8 -7.376 -14.378 1.900 59 HD2 HIS 8 HD2 HIS 8 -9.072 -15.276 -1.868 60 HE1 HIS 8 HE1 HIS 8 -9.573 -15.555 2.347 61 H ASP 9 H ASP 9 -3.669 -13.372 -0.823 62 HA ASP 9 HA ASP 9 -2.774 -14.332 1.710 63 HB2 ASP 9 HB2 ASP 9 -1.300 -13.422 -0.812 64 HB3 ASP 9 HB3 ASP 9 -0.430 -13.793 0.661 65 H ALA 10 H ALA 10 -2.405 -11.142 0.082 66 HA ALA 10 HA ALA 10 -0.957 -10.068 2.294 67 HB1 ALA 10 HB1 ALA 10 -1.410 -7.848 1.342 68 HB2 ALA 10 HB2 ALA 10 -0.912 -8.994 0.079 69 HB3 ALA 10 HB3 ALA 10 -2.634 -8.562 0.270 70 H GLN 11 H GLN 11 -4.496 -10.500 1.977 71 HA GLN 11 HA GLN 11 -5.162 -8.661 4.075 72 HB2 GLN 11 HB2 GLN 11 -6.720 -9.639 2.352 73 HB3 GLN 11 HB3 GLN 11 -6.488 -11.215 3.075 74 HG2 GLN 11 HG2 GLN 11 -7.307 -9.583 5.221 75 HG3 GLN 11 HG3 GLN 11 -8.298 -9.094 3.875 76 HE21 GLN 11 HE21 GLN 11 -10.052 -10.400 3.279 77 HE22 GLN 11 HE22 GLN 11 -10.350 -11.960 3.982 78 H GLU 12 H GLU 12 -3.634 -11.880 3.985 79 HA GLU 12 HA GLU 12 -4.334 -12.633 6.679 80 HB2 GLU 12 HB2 GLU 12 -3.810 -14.021 4.490 81 HB3 GLU 12 HB3 GLU 12 -2.122 -13.753 4.900 82 HG2 GLU 12 HG2 GLU 12 -4.116 -15.006 6.784 83 HG3 GLU 12 HG3 GLU 12 -3.198 -15.914 5.585 84 H LEU 13 H LEU 13 -1.173 -11.753 5.123 85 HA LEU 13 HA LEU 13 0.104 -11.435 7.600 86 HB2 LEU 13 HB2 LEU 13 1.897 -10.349 6.252 87 HB3 LEU 13 HB3 LEU 13 1.329 -11.918 5.701 88 HG LEU 13 HG LEU 13 -0.271 -10.224 4.226 89 HD11 LEU 13 HD11 LEU 13 0.768 -8.192 4.647 90 HD12 LEU 13 HD12 LEU 13 1.398 -8.730 3.081 91 HD13 LEU 13 HD13 LEU 13 2.408 -8.893 4.520 92 HD21 LEU 13 HD21 LEU 13 0.783 -12.246 3.408 93 HD22 LEU 13 HD22 LEU 13 2.374 -11.451 3.423 94 HD23 LEU 13 HD23 LEU 13 1.094 -10.885 2.329 95 H ILE 14 H ILE 14 -1.800 -8.997 5.802 96 HA ILE 14 HA ILE 14 -0.764 -6.794 7.374 97 HB ILE 14 HB ILE 14 -2.740 -7.237 5.283 98 HG12 ILE 14 HG12 ILE 14 -1.579 -4.550 5.884 99 HG13 ILE 14 HG13 ILE 14 -0.464 -5.846 5.452 100 HG21 ILE 14 HG21 ILE 14 -4.407 -6.795 6.830 101 HG22 ILE 14 HG22 ILE 14 -3.601 -5.295 7.355 102 HG23 ILE 14 HG23 ILE 14 -4.253 -5.430 5.700 103 HD11 ILE 14 HD11 ILE 14 -1.196 -4.538 3.487 104 HD12 ILE 14 HD12 ILE 14 -1.561 -6.278 3.368 105 HD13 ILE 14 HD13 ILE 14 -2.852 -5.110 3.753 106 H ALA 15 H ALA 15 -3.411 -9.155 7.880 107 HA ALA 15 HA ALA 15 -4.454 -7.773 10.208 108 HB1 ALA 15 HB1 ALA 15 -5.832 -9.274 8.806 109 HB2 ALA 15 HB2 ALA 15 -4.809 -10.652 9.270 110 HB3 ALA 15 HB3 ALA 15 -5.786 -9.813 10.492 111 H ARG 16 H ARG 16 -1.498 -9.014 9.797 112 HA ARG 16 HA ARG 16 -1.239 -10.201 12.523 113 HB2 ARG 16 HB2 ARG 16 0.525 -10.623 10.109 114 HB3 ARG 16 HB3 ARG 16 0.666 -11.408 11.671 115 HG2 ARG 16 HG2 ARG 16 -1.893 -11.617 10.006 116 HG3 ARG 16 HG3 ARG 16 -0.501 -12.630 9.739 117 HD2 ARG 16 HD2 ARG 16 -0.734 -13.014 12.386 118 HD3 ARG 16 HD3 ARG 16 -2.418 -12.551 12.051 119 HE ARG 16 HE ARG 16 -2.056 -14.274 10.078 120 HH11 ARG 16 HH11 ARG 16 -1.145 -14.820 13.396 121 HH12 ARG 16 HH12 ARG 16 -0.449 -16.405 13.111 122 HH21 ARG 16 HH21 ARG 16 -1.245 -16.095 9.586 123 HH22 ARG 16 HH22 ARG 16 -0.551 -17.228 10.747 124 H GLY 17 H GLY 17 0.000 -7.721 10.263 125 HA2 GLY 17 HA2 GLY 17 0.969 -5.967 12.033 126 HA3 GLY 17 HA3 GLY 17 2.271 -7.163 12.050 127 H ALA 18 H ALA 18 1.534 -7.524 8.927 128 HA ALA 18 HA ALA 18 3.707 -5.883 8.037 129 HB1 ALA 18 HB1 ALA 18 1.421 -7.166 6.498 130 HB2 ALA 18 HB2 ALA 18 2.881 -6.487 5.764 131 HB3 ALA 18 HB3 ALA 18 3.005 -7.915 6.825 132 H LYS 19 H LYS 19 3.696 -3.857 7.016 133 HA LYS 19 HA LYS 19 1.155 -2.276 7.219 134 HB2 LYS 19 HB2 LYS 19 4.097 -1.431 7.159 135 HB3 LYS 19 HB3 LYS 19 2.724 -0.341 7.295 136 HG2 LYS 19 HG2 LYS 19 3.559 -2.426 9.380 137 HG3 LYS 19 HG3 LYS 19 3.852 -0.704 9.445 138 HD2 LYS 19 HD2 LYS 19 1.960 -0.605 10.671 139 HD3 LYS 19 HD3 LYS 19 1.141 -0.662 9.101 140 HE2 LYS 19 HE2 LYS 19 1.189 -3.223 9.383 141 HE3 LYS 19 HE3 LYS 19 1.683 -2.939 11.053 142 HZ1 LYS 19 HZ1 LYS 19 -0.685 -3.195 10.863 143 HZ2 LYS 19 HZ2 LYS 19 -0.759 -2.001 9.717 144 HZ3 LYS 19 HZ3 LYS 19 -0.398 -1.621 11.265 145 H LEU 20 H LEU 20 0.809 -0.630 5.494 146 HA LEU 20 HA LEU 20 2.148 -1.256 2.929 147 HB2 LEU 20 HB2 LEU 20 -0.124 -2.303 3.212 148 HB3 LEU 20 HB3 LEU 20 -0.809 -0.695 3.320 149 HG LEU 20 HG LEU 20 0.794 -1.516 0.894 150 HD11 LEU 20 HD11 LEU 20 -0.884 -3.248 1.201 151 HD12 LEU 20 HD12 LEU 20 -1.393 -2.193 -0.131 152 HD13 LEU 20 HD13 LEU 20 -2.145 -2.046 1.484 153 HD21 LEU 20 HD21 LEU 20 -0.396 0.937 1.558 154 HD22 LEU 20 HD22 LEU 20 -1.564 0.194 0.497 155 HD23 LEU 20 HD23 LEU 20 0.116 0.414 -0.035 156 H ILE 21 H ILE 21 2.403 0.608 1.565 157 HA ILE 21 HA ILE 21 1.900 3.231 2.895 158 HB ILE 21 HB ILE 21 4.210 2.632 1.051 159 HG12 ILE 21 HG12 ILE 21 4.555 1.141 2.955 160 HG13 ILE 21 HG13 ILE 21 5.755 2.401 2.847 161 HG21 ILE 21 HG21 ILE 21 3.667 4.842 3.067 162 HG22 ILE 21 HG22 ILE 21 5.154 4.698 2.095 163 HG23 ILE 21 HG23 ILE 21 3.591 4.990 1.304 164 HD11 ILE 21 HD11 ILE 21 4.948 1.834 5.160 165 HD12 ILE 21 HD12 ILE 21 4.832 3.564 4.758 166 HD13 ILE 21 HD13 ILE 21 3.380 2.542 4.758 167 H ASP 22 H ASP 22 0.693 4.536 1.827 168 HA ASP 22 HA ASP 22 -0.296 3.849 -0.835 169 HB2 ASP 22 HB2 ASP 22 -0.900 6.150 1.076 170 HB3 ASP 22 HB3 ASP 22 -1.692 5.817 -0.469 171 H ILE 23 H ILE 23 1.685 4.255 -2.138 172 HA ILE 23 HA ILE 23 2.672 7.056 -2.057 173 HB ILE 23 HB ILE 23 4.447 6.388 -3.499 174 HG12 ILE 23 HG12 ILE 23 4.677 3.677 -3.664 175 HG13 ILE 23 HG13 ILE 23 2.946 3.792 -3.878 176 HG21 ILE 23 HG21 ILE 23 4.042 4.327 -1.279 177 HG22 ILE 23 HG22 ILE 23 5.581 4.885 -1.942 178 HG23 ILE 23 HG23 ILE 23 4.552 6.008 -1.029 179 HD11 ILE 23 HD11 ILE 23 4.315 3.740 -5.983 180 HD12 ILE 23 HD12 ILE 23 3.254 5.131 -5.885 181 HD13 ILE 23 HD13 ILE 23 4.989 5.329 -5.534 182 H ARG 24 H ARG 24 0.007 6.831 -2.710 183 HA ARG 24 HA ARG 24 -0.121 7.522 -5.609 184 HB2 ARG 24 HB2 ARG 24 -2.651 7.254 -5.264 185 HB3 ARG 24 HB3 ARG 24 -1.669 5.827 -5.392 186 HG2 ARG 24 HG2 ARG 24 -1.882 5.228 -3.186 187 HG3 ARG 24 HG3 ARG 24 -2.196 6.880 -2.648 188 HD2 ARG 24 HD2 ARG 24 -4.440 6.562 -4.153 189 HD3 ARG 24 HD3 ARG 24 -4.175 4.874 -3.683 190 HE ARG 24 HE ARG 24 -3.908 6.663 -1.458 191 HH11 ARG 24 HH11 ARG 24 -6.601 5.248 -3.429 192 HH12 ARG 24 HH12 ARG 24 -7.683 5.304 -2.051 193 HH21 ARG 24 HH21 ARG 24 -5.520 6.412 0.317 194 HH22 ARG 24 HH22 ARG 24 -7.153 6.112 -0.151 195 H ASP 25 H ASP 25 -2.781 8.761 -3.795 196 HA ASP 25 HA ASP 25 -1.466 11.326 -3.321 197 HB2 ASP 25 HB2 ASP 25 -2.084 11.258 -5.761 198 HB3 ASP 25 HB3 ASP 25 -3.769 10.993 -5.263 199 H ALA 26 H ALA 26 -2.731 12.681 -2.075 200 HA ALA 26 HA ALA 26 -4.490 11.404 -0.248 201 HB1 ALA 26 HB1 ALA 26 -4.068 14.393 -0.541 202 HB2 ALA 26 HB2 ALA 26 -4.474 13.448 0.921 203 HB3 ALA 26 HB3 ALA 26 -2.872 13.311 0.201 204 H ASP 27 H ASP 27 -5.336 12.927 -3.333 205 HA ASP 27 HA ASP 27 -8.008 13.713 -2.420 206 HB2 ASP 27 HB2 ASP 27 -6.464 14.020 -4.890 207 HB3 ASP 27 HB3 ASP 27 -8.069 13.428 -5.231 208 H GLU 28 H GLU 28 -6.501 10.749 -3.180 209 HA GLU 28 HA GLU 28 -9.012 9.485 -4.110 210 HB2 GLU 28 HB2 GLU 28 -6.285 8.207 -3.762 211 HB3 GLU 28 HB3 GLU 28 -7.734 7.567 -4.579 212 HG2 GLU 28 HG2 GLU 28 -7.568 9.898 -5.913 213 HG3 GLU 28 HG3 GLU 28 -5.888 9.828 -5.399 214 H TYR 29 H TYR 29 -6.892 9.668 -1.345 215 HA TYR 29 HA TYR 29 -8.035 7.771 0.421 216 HB2 TYR 29 HB2 TYR 29 -5.958 8.783 0.986 217 HB3 TYR 29 HB3 TYR 29 -6.605 10.399 0.803 218 HD1 TYR 29 HD1 TYR 29 -7.638 7.386 2.857 219 HD2 TYR 29 HD2 TYR 29 -6.645 11.597 2.794 220 HE1 TYR 29 HE1 TYR 29 -8.194 7.554 5.259 221 HE2 TYR 29 HE2 TYR 29 -7.232 11.770 5.181 222 HH TYR 29 HH TYR 29 -7.324 9.513 7.240 223 H LEU 30 H LEU 30 -9.228 10.765 -0.727 224 HA LEU 30 HA LEU 30 -11.091 11.587 1.210 225 HB2 LEU 30 HB2 LEU 30 -10.194 12.714 -0.933 226 HB3 LEU 30 HB3 LEU 30 -11.349 11.756 -1.835 227 HG LEU 30 HG LEU 30 -12.044 13.783 0.337 228 HD11 LEU 30 HD11 LEU 30 -12.754 15.180 -1.605 229 HD12 LEU 30 HD12 LEU 30 -12.149 13.933 -2.720 230 HD13 LEU 30 HD13 LEU 30 -11.028 14.808 -1.671 231 HD21 LEU 30 HD21 LEU 30 -13.851 12.149 0.130 232 HD22 LEU 30 HD22 LEU 30 -13.826 12.289 -1.640 233 HD23 LEU 30 HD23 LEU 30 -14.324 13.663 -0.613 234 H ARG 31 H ARG 31 -11.590 9.632 -1.746 235 HA ARG 31 HA ARG 31 -14.231 8.733 -0.915 236 HB2 ARG 31 HB2 ARG 31 -12.447 8.197 -3.317 237 HB3 ARG 31 HB3 ARG 31 -13.963 7.334 -3.070 238 HG2 ARG 31 HG2 ARG 31 -13.782 10.372 -3.226 239 HG3 ARG 31 HG3 ARG 31 -14.110 9.294 -4.579 240 HD2 ARG 31 HD2 ARG 31 -15.952 8.451 -2.632 241 HD3 ARG 31 HD3 ARG 31 -15.942 10.204 -2.463 242 HE ARG 31 HE ARG 31 -16.574 8.603 -4.891 243 HH11 ARG 31 HH11 ARG 31 -16.705 11.843 -3.359 244 HH12 ARG 31 HH12 ARG 31 -17.266 12.624 -4.778 245 HH21 ARG 31 HH21 ARG 31 -17.179 9.619 -6.740 246 HH22 ARG 31 HH22 ARG 31 -17.490 11.319 -6.790 247 H GLU 32 H GLU 32 -11.193 6.919 -1.749 248 HA GLU 32 HA GLU 32 -12.159 4.799 0.144 249 HB2 GLU 32 HB2 GLU 32 -10.627 4.452 -2.497 250 HB3 GLU 32 HB3 GLU 32 -11.095 3.189 -1.411 251 HG2 GLU 32 HG2 GLU 32 -12.805 2.930 -2.856 252 HG3 GLU 32 HG3 GLU 32 -13.576 4.155 -1.871 253 H HIS 33 H HIS 33 -10.612 3.355 0.918 254 HA HIS 33 HA HIS 33 -7.799 4.324 1.012 255 HB2 HIS 33 HB2 HIS 33 -8.935 4.978 3.013 256 HB3 HIS 33 HB3 HIS 33 -9.522 3.331 3.273 257 HD1 HIS 33 HD1 HIS 33 -8.270 3.507 5.766 258 HD2 HIS 33 HD2 HIS 33 -5.776 3.672 2.343 259 HE1 HIS 33 HE1 HIS 33 -5.934 2.944 6.537 260 H ILE 34 H ILE 34 -7.179 1.814 2.551 261 HA ILE 34 HA ILE 34 -7.782 -0.307 0.598 262 HB ILE 34 HB ILE 34 -5.682 1.450 0.303 263 HG12 ILE 34 HG12 ILE 34 -6.236 -1.061 -0.951 264 HG13 ILE 34 HG13 ILE 34 -5.717 0.494 -1.552 265 HG21 ILE 34 HG21 ILE 34 -3.662 0.890 1.117 266 HG22 ILE 34 HG22 ILE 34 -4.773 0.872 2.488 267 HG23 ILE 34 HG23 ILE 34 -4.191 -0.651 1.835 268 HD11 ILE 34 HD11 ILE 34 -4.103 -0.987 -2.240 269 HD12 ILE 34 HD12 ILE 34 -3.354 -0.086 -0.920 270 HD13 ILE 34 HD13 ILE 34 -3.898 -1.749 -0.664 271 HA PRO 35 HA PRO 35 -7.101 -2.813 4.245 272 HB2 PRO 35 HB2 PRO 35 -5.455 -4.905 3.557 273 HB3 PRO 35 HB3 PRO 35 -7.138 -4.708 3.067 274 HG2 PRO 35 HG2 PRO 35 -4.747 -4.412 1.292 275 HG3 PRO 35 HG3 PRO 35 -6.346 -4.756 0.874 276 HD2 PRO 35 HD2 PRO 35 -5.125 -2.254 0.841 277 HD3 PRO 35 HD3 PRO 35 -6.837 -2.624 0.444 278 H GLU 36 H GLU 36 -6.099 -1.421 5.622 279 HA GLU 36 HA GLU 36 -4.652 -0.491 6.953 280 HB2 GLU 36 HB2 GLU 36 -4.406 -3.159 7.016 281 HB3 GLU 36 HB3 GLU 36 -2.755 -2.783 6.698 282 HG2 GLU 36 HG2 GLU 36 -4.498 -1.958 9.063 283 HG3 GLU 36 HG3 GLU 36 -3.094 -3.026 9.088 284 H ALA 37 H ALA 37 -3.946 1.370 5.670 285 HA ALA 37 HA ALA 37 -1.061 1.184 5.056 286 HB1 ALA 37 HB1 ALA 37 -1.356 2.439 2.993 287 HB2 ALA 37 HB2 ALA 37 -2.310 0.956 2.950 288 HB3 ALA 37 HB3 ALA 37 -3.109 2.518 3.250 289 H ASP 38 H ASP 38 -0.540 3.713 4.263 290 HA ASP 38 HA ASP 38 -1.614 5.571 6.226 291 HB2 ASP 38 HB2 ASP 38 0.238 4.479 7.431 292 HB3 ASP 38 HB3 ASP 38 1.347 4.876 6.118 293 H LEU 39 H LEU 39 -1.556 7.644 5.472 294 HA LEU 39 HA LEU 39 -1.206 8.005 2.663 295 HB2 LEU 39 HB2 LEU 39 -2.978 9.175 3.926 296 HB3 LEU 39 HB3 LEU 39 -1.766 9.942 4.955 297 HG LEU 39 HG LEU 39 -0.872 11.183 2.963 298 HD11 LEU 39 HD11 LEU 39 -2.160 11.267 0.906 299 HD12 LEU 39 HD12 LEU 39 -3.350 10.112 1.548 300 HD13 LEU 39 HD13 LEU 39 -1.679 9.610 1.208 301 HD21 LEU 39 HD21 LEU 39 -2.465 12.241 4.486 302 HD22 LEU 39 HD22 LEU 39 -3.830 11.591 3.544 303 HD23 LEU 39 HD23 LEU 39 -2.725 12.782 2.825 304 H ALA 40 H ALA 40 0.796 7.882 1.882 305 HA ALA 40 HA ALA 40 2.753 9.932 2.704 306 HB1 ALA 40 HB1 ALA 40 3.314 7.917 4.026 307 HB2 ALA 40 HB2 ALA 40 3.315 6.965 2.537 308 HB3 ALA 40 HB3 ALA 40 4.540 8.227 2.753 309 HA PRO 41 HA PRO 41 1.969 9.258 -1.832 310 HB2 PRO 41 HB2 PRO 41 1.700 11.886 -2.591 311 HB3 PRO 41 HB3 PRO 41 0.358 10.905 -1.930 312 HG2 PRO 41 HG2 PRO 41 2.148 12.844 -0.439 313 HG3 PRO 41 HG3 PRO 41 0.357 12.738 -0.406 314 HD2 PRO 41 HD2 PRO 41 1.888 11.579 1.521 315 HD3 PRO 41 HD3 PRO 41 0.406 10.783 0.917 316 H LEU 42 H LEU 42 3.315 10.181 -3.647 317 HA LEU 42 HA LEU 42 6.024 9.816 -3.185 318 HB2 LEU 42 HB2 LEU 42 4.789 9.684 -5.330 319 HB3 LEU 42 HB3 LEU 42 4.772 11.449 -5.415 320 HG LEU 42 HG LEU 42 7.515 10.631 -4.909 321 HD11 LEU 42 HD11 LEU 42 7.981 9.193 -6.767 322 HD12 LEU 42 HD12 LEU 42 6.253 9.136 -7.207 323 HD13 LEU 42 HD13 LEU 42 6.827 8.421 -5.662 324 HD21 LEU 42 HD21 LEU 42 6.181 11.702 -7.426 325 HD22 LEU 42 HD22 LEU 42 7.931 11.675 -7.095 326 HD23 LEU 42 HD23 LEU 42 6.849 12.670 -6.103 327 H SER 43 H SER 43 4.230 12.823 -2.802 328 HA SER 43 HA SER 43 6.312 14.710 -2.840 329 HB2 SER 43 HB2 SER 43 3.695 14.677 -1.277 330 HB3 SER 43 HB3 SER 43 4.641 16.113 -1.742 331 HG SER 43 HG SER 43 4.334 15.617 -3.870 332 H VAL 44 H VAL 44 5.795 12.201 -0.536 333 HA VAL 44 HA VAL 44 7.371 13.654 1.544 334 HB VAL 44 HB VAL 44 5.736 11.117 1.939 335 HG11 VAL 44 HG11 VAL 44 5.705 11.914 4.284 336 HG12 VAL 44 HG12 VAL 44 7.363 11.712 3.696 337 HG13 VAL 44 HG13 VAL 44 6.650 13.339 3.811 338 HG21 VAL 44 HG21 VAL 44 4.698 13.967 2.177 339 HG22 VAL 44 HG22 VAL 44 4.066 12.681 1.126 340 HG23 VAL 44 HG23 VAL 44 3.903 12.542 2.876 341 H LEU 45 H LEU 45 7.017 10.655 -0.333 342 HA LEU 45 HA LEU 45 9.145 9.155 0.711 343 HB2 LEU 45 HB2 LEU 45 7.882 9.261 -2.049 344 HB3 LEU 45 HB3 LEU 45 9.112 8.129 -1.663 345 HG LEU 45 HG LEU 45 6.516 7.558 -1.513 346 HD11 LEU 45 HD11 LEU 45 8.342 5.956 -1.292 347 HD12 LEU 45 HD12 LEU 45 7.119 5.646 -0.057 348 HD13 LEU 45 HD13 LEU 45 8.616 6.483 0.397 349 HD21 LEU 45 HD21 LEU 45 7.150 8.242 1.412 350 HD22 LEU 45 HD22 LEU 45 5.752 7.327 0.825 351 HD23 LEU 45 HD23 LEU 45 5.912 9.018 0.396 352 H GLU 46 H GLU 46 9.213 11.557 -1.983 353 HA GLU 46 HA GLU 46 11.996 11.074 -2.573 354 HB2 GLU 46 HB2 GLU 46 9.747 12.913 -3.477 355 HB3 GLU 46 HB3 GLU 46 11.385 13.193 -4.020 356 HG2 GLU 46 HG2 GLU 46 9.943 10.524 -4.355 357 HG3 GLU 46 HG3 GLU 46 9.981 11.800 -5.564 358 H GLN 47 H GLN 47 10.345 13.032 -0.216 359 HA GLN 47 HA GLN 47 12.573 14.971 -0.088 360 HB2 GLN 47 HB2 GLN 47 9.791 14.825 1.175 361 HB3 GLN 47 HB3 GLN 47 11.005 16.047 1.507 362 HG2 GLN 47 HG2 GLN 47 10.984 16.071 -1.253 363 HG3 GLN 47 HG3 GLN 47 9.333 15.644 -0.932 364 HE21 GLN 47 HE21 GLN 47 11.844 18.089 0.197 365 HE22 GLN 47 HE22 GLN 47 10.709 19.422 -0.021 366 H SER 48 H SER 48 11.239 12.159 1.454 367 HA SER 48 HA SER 48 13.432 12.263 3.475 368 HB2 SER 48 HB2 SER 48 10.447 12.028 4.085 369 HB3 SER 48 HB3 SER 48 11.737 11.689 5.235 370 HG SER 48 HG SER 48 10.815 13.827 5.344 371 H GLY 49 H GLY 49 10.567 10.330 2.413 372 HA2 GLY 49 HA2 GLY 49 11.023 8.122 1.439 373 HA3 GLY 49 HA3 GLY 49 12.264 7.870 2.660 374 H LEU 50 H LEU 50 11.137 5.970 3.319 375 HA LEU 50 HA LEU 50 8.491 5.691 4.022 376 HB2 LEU 50 HB2 LEU 50 10.269 3.914 3.728 377 HB3 LEU 50 HB3 LEU 50 10.926 4.382 5.297 378 HG LEU 50 HG LEU 50 8.564 3.823 6.252 379 HD11 LEU 50 HD11 LEU 50 8.376 2.268 3.644 380 HD12 LEU 50 HD12 LEU 50 7.443 3.729 3.962 381 HD13 LEU 50 HD13 LEU 50 7.222 2.298 4.984 382 HD21 LEU 50 HD21 LEU 50 9.072 1.349 6.175 383 HD22 LEU 50 HD22 LEU 50 10.389 2.404 6.779 384 HD23 LEU 50 HD23 LEU 50 10.435 1.719 5.157 385 HA PRO 51 HA PRO 51 8.222 8.013 7.880 386 HB2 PRO 51 HB2 PRO 51 5.880 6.955 8.897 387 HB3 PRO 51 HB3 PRO 51 5.936 8.166 7.565 388 HG2 PRO 51 HG2 PRO 51 5.660 5.186 7.369 389 HG3 PRO 51 HG3 PRO 51 4.726 6.460 6.494 390 HD2 PRO 51 HD2 PRO 51 6.767 5.094 5.426 391 HD3 PRO 51 HD3 PRO 51 6.508 6.817 5.024 392 H ALA 52 H ALA 52 8.771 7.635 10.034 393 HA ALA 52 HA ALA 52 9.987 5.212 10.764 394 HB1 ALA 52 HB1 ALA 52 10.594 7.421 11.700 395 HB2 ALA 52 HB2 ALA 52 9.015 7.522 12.519 396 HB3 ALA 52 HB3 ALA 52 10.186 6.279 12.992 397 H LYS 53 H LYS 53 6.609 5.813 10.793 398 HA LYS 53 HA LYS 53 6.137 4.032 13.119 399 HB2 LYS 53 HB2 LYS 53 3.997 4.856 11.111 400 HB3 LYS 53 HB3 LYS 53 3.838 4.301 12.772 401 HG2 LYS 53 HG2 LYS 53 4.931 6.957 11.877 402 HG3 LYS 53 HG3 LYS 53 3.321 6.651 12.542 403 HD2 LYS 53 HD2 LYS 53 5.925 6.078 13.976 404 HD3 LYS 53 HD3 LYS 53 4.965 7.532 14.216 405 HE2 LYS 53 HE2 LYS 53 4.007 4.676 14.784 406 HE3 LYS 53 HE3 LYS 53 4.733 5.754 15.986 407 HZ1 LYS 53 HZ1 LYS 53 2.924 7.339 15.422 408 HZ2 LYS 53 HZ2 LYS 53 2.480 6.019 16.252 409 HZ3 LYS 53 HZ3 LYS 53 2.128 6.089 14.648 410 H LEU 54 H LEU 54 5.329 3.977 9.692 411 HA LEU 54 HA LEU 54 4.936 1.108 9.689 412 HB2 LEU 54 HB2 LEU 54 5.047 2.932 7.270 413 HB3 LEU 54 HB3 LEU 54 4.299 1.361 7.402 414 HG LEU 54 HG LEU 54 2.473 2.707 7.369 415 HD11 LEU 54 HD11 LEU 54 1.389 2.848 9.490 416 HD12 LEU 54 HD12 LEU 54 2.914 2.714 10.385 417 HD13 LEU 54 HD13 LEU 54 2.314 1.351 9.416 418 HD21 LEU 54 HD21 LEU 54 2.304 4.886 8.694 419 HD22 LEU 54 HD22 LEU 54 3.363 4.843 7.276 420 HD23 LEU 54 HD23 LEU 54 4.043 4.804 8.900 421 H ARG 55 H ARG 55 7.550 1.832 10.434 422 HA ARG 55 HA ARG 55 9.262 1.014 8.169 423 HB2 ARG 55 HB2 ARG 55 11.067 1.919 9.292 424 HB3 ARG 55 HB3 ARG 55 9.749 3.012 9.669 425 HG2 ARG 55 HG2 ARG 55 10.312 2.725 11.843 426 HG3 ARG 55 HG3 ARG 55 9.529 1.140 11.717 427 HD2 ARG 55 HD2 ARG 55 12.081 0.632 10.731 428 HD3 ARG 55 HD3 ARG 55 12.401 1.956 11.817 429 HE ARG 55 HE ARG 55 11.229 0.618 13.598 430 HH11 ARG 55 HH11 ARG 55 11.996 -1.314 10.755 431 HH12 ARG 55 HH12 ARG 55 12.604 -2.688 11.595 432 HH21 ARG 55 HH21 ARG 55 11.969 -1.225 14.823 433 HH22 ARG 55 HH22 ARG 55 12.503 -2.646 13.995 434 H HIS 56 H HIS 56 7.493 -0.714 10.048 435 HA HIS 56 HA HIS 56 8.934 -2.643 11.440 436 HB2 HIS 56 HB2 HIS 56 6.294 -2.554 10.001 437 HB3 HIS 56 HB3 HIS 56 6.945 -4.151 10.289 438 HD1 HIS 56 HD1 HIS 56 5.144 -1.409 12.238 439 HD2 HIS 56 HD2 HIS 56 7.406 -4.934 12.835 440 HE1 HIS 56 HE1 HIS 56 4.747 -2.116 14.612 441 H GLU 57 H GLU 57 9.654 -4.785 10.911 442 HA GLU 57 HA GLU 57 11.449 -5.047 8.846 443 HB2 GLU 57 HB2 GLU 57 10.032 -6.923 10.732 444 HB3 GLU 57 HB3 GLU 57 10.976 -7.636 9.452 445 HG2 GLU 57 HG2 GLU 57 12.237 -7.370 11.583 446 HG3 GLU 57 HG3 GLU 57 13.005 -6.620 10.184 447 H GLN 58 H GLN 58 8.027 -5.354 8.382 448 HA GLN 58 HA GLN 58 8.438 -6.334 5.640 449 HB2 GLN 58 HB2 GLN 58 6.495 -7.496 7.695 450 HB3 GLN 58 HB3 GLN 58 6.369 -7.808 5.975 451 HG2 GLN 58 HG2 GLN 58 8.152 -9.278 5.920 452 HG3 GLN 58 HG3 GLN 58 8.996 -8.527 7.264 453 HE21 GLN 58 HE21 GLN 58 7.514 -11.394 6.548 454 HE22 GLN 58 HE22 GLN 58 6.891 -11.778 8.138 455 H ILE 59 H ILE 59 7.633 -4.908 4.357 456 HA ILE 59 HA ILE 59 5.157 -3.529 5.143 457 HB ILE 59 HB ILE 59 5.821 -1.500 4.736 458 HG12 ILE 59 HG12 ILE 59 8.543 -1.549 3.745 459 HG13 ILE 59 HG13 ILE 59 7.475 -2.387 2.619 460 HG21 ILE 59 HG21 ILE 59 7.875 -0.876 5.927 461 HG22 ILE 59 HG22 ILE 59 6.928 -2.108 6.796 462 HG23 ILE 59 HG23 ILE 59 8.407 -2.549 5.899 463 HD11 ILE 59 HD11 ILE 59 7.794 0.078 2.227 464 HD12 ILE 59 HD12 ILE 59 6.108 -0.441 2.367 465 HD13 ILE 59 HD13 ILE 59 6.908 0.369 3.733 466 H ILE 60 H ILE 60 4.530 -2.201 2.985 467 HA ILE 60 HA ILE 60 4.751 -3.821 0.550 468 HB ILE 60 HB ILE 60 2.032 -3.199 1.780 469 HG12 ILE 60 HG12 ILE 60 3.450 -5.874 1.719 470 HG13 ILE 60 HG13 ILE 60 2.904 -4.958 3.127 471 HG21 ILE 60 HG21 ILE 60 1.084 -4.571 -0.052 472 HG22 ILE 60 HG22 ILE 60 1.913 -3.230 -0.690 473 HG23 ILE 60 HG23 ILE 60 2.708 -4.830 -0.714 474 HD11 ILE 60 HD11 ILE 60 1.258 -6.472 1.115 475 HD12 ILE 60 HD12 ILE 60 1.246 -6.589 2.893 476 HD13 ILE 60 HD13 ILE 60 0.538 -5.176 2.096 477 H PHE 61 H PHE 61 3.940 -2.678 -1.227 478 HA PHE 61 HA PHE 61 3.473 0.260 -0.930 479 HB2 PHE 61 HB2 PHE 61 5.467 -1.284 -2.601 480 HB3 PHE 61 HB3 PHE 61 4.793 0.211 -3.255 481 HD1 PHE 61 HD1 PHE 61 4.689 2.218 -1.382 482 HD2 PHE 61 HD2 PHE 61 7.479 -1.028 -1.485 483 HE1 PHE 61 HE1 PHE 61 6.258 3.520 0.030 484 HE2 PHE 61 HE2 PHE 61 9.037 0.242 -0.058 485 HZ PHE 61 HZ PHE 61 8.452 2.546 0.690 486 H HIS 62 H HIS 62 1.992 1.192 -2.316 487 HA HIS 62 HA HIS 62 0.897 -0.266 -4.561 488 HB2 HIS 62 HB2 HIS 62 -0.835 -1.144 -3.487 489 HB3 HIS 62 HB3 HIS 62 -0.387 -0.496 -1.967 490 HD1 HIS 62 HD1 HIS 62 -2.869 0.256 -4.796 491 HD2 HIS 62 HD2 HIS 62 -1.375 2.052 -1.298 492 HE1 HIS 62 HE1 HIS 62 -4.317 2.275 -4.370 493 H CYS 63 H CYS 63 -0.384 1.112 -5.887 494 HA CYS 63 HA CYS 63 -0.791 3.877 -5.128 495 HB2 CYS 63 HB2 CYS 63 1.531 3.890 -5.824 496 HB3 CYS 63 HB3 CYS 63 1.137 3.112 -7.377 497 HG CYS 63 HG CYS 63 1.325 6.109 -6.527 498 H GLN 64 H GLN 64 -2.735 4.290 -5.883 499 HA GLN 64 HA GLN 64 -4.739 4.131 -6.856 500 HB2 GLN 64 HB2 GLN 64 -2.783 5.035 -8.694 501 HB3 GLN 64 HB3 GLN 64 -3.791 3.939 -9.637 502 HG2 GLN 64 HG2 GLN 64 -5.772 5.286 -8.573 503 HG3 GLN 64 HG3 GLN 64 -4.530 6.421 -8.061 504 HE21 GLN 64 HE21 GLN 64 -5.813 7.957 -9.345 505 HE22 GLN 64 HE22 GLN 64 -5.558 8.044 -11.090 506 H ALA 65 H ALA 65 -5.483 2.762 -9.415 507 HA ALA 65 HA ALA 65 -5.486 -0.052 -8.436 508 HB1 ALA 65 HB1 ALA 65 -7.713 1.152 -8.460 509 HB2 ALA 65 HB2 ALA 65 -7.537 1.300 -10.217 510 HB3 ALA 65 HB3 ALA 65 -7.630 -0.306 -9.471 511 H GLY 66 H GLY 66 -3.207 0.933 -9.896 512 HA2 GLY 66 HA2 GLY 66 -2.488 -0.806 -11.695 513 HA3 GLY 66 HA3 GLY 66 -3.634 0.076 -12.704 514 H LYS 67 H LYS 67 -1.788 2.062 -10.405 515 HA LYS 67 HA LYS 67 -0.611 3.497 -12.598 516 HB2 LYS 67 HB2 LYS 67 -1.323 4.172 -10.048 517 HB3 LYS 67 HB3 LYS 67 0.386 3.899 -9.790 518 HG2 LYS 67 HG2 LYS 67 0.301 6.195 -10.360 519 HG3 LYS 67 HG3 LYS 67 0.703 5.447 -11.914 520 HD2 LYS 67 HD2 LYS 67 -1.937 5.325 -12.195 521 HD3 LYS 67 HD3 LYS 67 -1.931 6.553 -10.918 522 HE2 LYS 67 HE2 LYS 67 -0.558 8.030 -12.341 523 HE3 LYS 67 HE3 LYS 67 -0.457 6.755 -13.576 524 HZ1 LYS 67 HZ1 LYS 67 -2.184 8.198 -14.221 525 HZ2 LYS 67 HZ2 LYS 67 -2.880 8.193 -12.717 526 HZ3 LYS 67 HZ3 LYS 67 -2.901 6.842 -13.677 527 H ARG 68 H ARG 68 0.268 0.649 -12.207 528 HA ARG 68 HA ARG 68 2.072 -0.700 -12.180 529 HB2 ARG 68 HB2 ARG 68 3.497 1.516 -13.669 530 HB3 ARG 68 HB3 ARG 68 3.707 -0.223 -13.819 531 HG2 ARG 68 HG2 ARG 68 1.457 1.531 -14.836 532 HG3 ARG 68 HG3 ARG 68 2.579 0.561 -15.771 533 HD2 ARG 68 HD2 ARG 68 0.287 -0.443 -14.037 534 HD3 ARG 68 HD3 ARG 68 0.350 -0.429 -15.804 535 HE ARG 68 HE ARG 68 2.518 -1.953 -15.220 536 HH11 ARG 68 HH11 ARG 68 -0.947 -2.230 -14.665 537 HH12 ARG 68 HH12 ARG 68 -0.849 -3.669 -13.711 538 HH21 ARG 68 HH21 ARG 68 2.635 -4.128 -14.267 539 HH22 ARG 68 HH22 ARG 68 1.183 -4.839 -13.631 540 H THR 69 H THR 69 2.190 -0.422 -9.800 541 HA THR 69 HA THR 69 3.988 1.494 -8.629 542 HB THR 69 HB THR 69 3.044 -1.168 -7.524 543 HG1 THR 69 HG1 THR 69 1.451 0.337 -8.200 544 HG21 THR 69 HG21 THR 69 3.361 -0.232 -5.324 545 HG22 THR 69 HG22 THR 69 3.934 1.314 -5.996 546 HG23 THR 69 HG23 THR 69 4.918 -0.159 -6.167 547 H SER 70 H SER 70 4.536 -1.669 -10.140 548 HA SER 70 HA SER 70 7.165 -2.181 -9.320 549 HB2 SER 70 HB2 SER 70 5.531 -2.809 -11.796 550 HB3 SER 70 HB3 SER 70 7.235 -3.291 -11.689 551 HG SER 70 HG SER 70 6.880 -4.465 -9.964 552 H ASN 71 H ASN 71 5.941 0.218 -11.487 553 HA ASN 71 HA ASN 71 8.258 0.636 -13.085 554 HB2 ASN 71 HB2 ASN 71 5.867 1.348 -13.469 555 HB3 ASN 71 HB3 ASN 71 6.179 2.733 -12.417 556 HD21 ASN 71 HD21 ASN 71 8.154 1.143 -15.044 557 HD22 ASN 71 HD22 ASN 71 8.343 2.620 -15.954 558 H ASN 72 H ASN 72 7.944 1.288 -9.839 559 HA ASN 72 HA ASN 72 10.357 3.014 -9.876 560 HB2 ASN 72 HB2 ASN 72 7.844 3.590 -8.249 561 HB3 ASN 72 HB3 ASN 72 9.399 4.425 -8.129 562 HD21 ASN 72 HD21 ASN 72 6.396 4.188 -10.095 563 HD22 ASN 72 HD22 ASN 72 6.939 5.364 -11.267 564 H ALA 73 H ALA 73 9.198 0.166 -9.167 565 HA ALA 73 HA ALA 73 9.340 -0.301 -6.415 566 HB1 ALA 73 HB1 ALA 73 10.001 -2.068 -8.788 567 HB2 ALA 73 HB2 ALA 73 9.988 -2.643 -7.116 568 HB3 ALA 73 HB3 ALA 73 8.513 -1.997 -7.798 569 H ASP 74 H ASP 74 12.069 0.250 -8.609 570 HA ASP 74 HA ASP 74 14.082 -0.938 -6.894 571 HB2 ASP 74 HB2 ASP 74 14.233 1.126 -9.115 572 HB3 ASP 74 HB3 ASP 74 15.640 0.745 -8.120 573 H LYS 75 H LYS 75 12.940 2.430 -7.269 574 HA LYS 75 HA LYS 75 14.522 3.439 -5.107 575 HB2 LYS 75 HB2 LYS 75 12.481 4.459 -7.020 576 HB3 LYS 75 HB3 LYS 75 12.310 5.192 -5.423 577 HG2 LYS 75 HG2 LYS 75 14.992 4.941 -6.819 578 HG3 LYS 75 HG3 LYS 75 13.948 6.345 -7.052 579 HD2 LYS 75 HD2 LYS 75 14.419 5.573 -4.202 580 HD3 LYS 75 HD3 LYS 75 15.845 6.146 -5.089 581 HE2 LYS 75 HE2 LYS 75 14.745 8.211 -5.703 582 HE3 LYS 75 HE3 LYS 75 13.204 7.677 -5.036 583 HZ1 LYS 75 HZ1 LYS 75 14.662 9.204 -3.656 584 HZ2 LYS 75 HZ2 LYS 75 15.554 7.867 -3.275 585 HZ3 LYS 75 HZ3 LYS 75 13.972 7.999 -2.883 586 H LEU 76 H LEU 76 11.121 2.492 -5.370 587 HA LEU 76 HA LEU 76 10.334 3.046 -2.711 588 HB2 LEU 76 HB2 LEU 76 9.387 0.821 -4.549 589 HB3 LEU 76 HB3 LEU 76 8.603 1.260 -3.043 590 HG LEU 76 HG LEU 76 8.898 3.146 -5.417 591 HD11 LEU 76 HD11 LEU 76 7.387 1.232 -5.890 592 HD12 LEU 76 HD12 LEU 76 6.511 2.759 -5.783 593 HD13 LEU 76 HD13 LEU 76 6.458 1.614 -4.425 594 HD21 LEU 76 HD21 LEU 76 8.752 4.417 -3.350 595 HD22 LEU 76 HD22 LEU 76 7.375 3.442 -2.804 596 HD23 LEU 76 HD23 LEU 76 7.218 4.525 -4.210 597 H ALA 77 H ALA 77 11.989 0.106 -3.978 598 HA ALA 77 HA ALA 77 11.842 -1.371 -1.564 599 HB1 ALA 77 HB1 ALA 77 13.750 -2.642 -2.451 600 HB2 ALA 77 HB2 ALA 77 12.459 -2.447 -3.637 601 HB3 ALA 77 HB3 ALA 77 13.924 -1.466 -3.775 602 H ALA 78 H ALA 78 14.562 0.628 -2.869 603 HA ALA 78 HA ALA 78 16.287 0.523 -0.683 604 HB1 ALA 78 HB1 ALA 78 15.795 2.814 -2.647 605 HB2 ALA 78 HB2 ALA 78 17.175 2.711 -1.543 606 HB3 ALA 78 HB3 ALA 78 16.978 1.498 -2.810 607 H ILE 79 H ILE 79 13.667 2.810 -1.291 608 HA ILE 79 HA ILE 79 13.925 4.604 0.815 609 HB ILE 79 HB ILE 79 11.790 3.618 -1.011 610 HG12 ILE 79 HG12 ILE 79 12.829 6.381 -0.306 611 HG13 ILE 79 HG13 ILE 79 13.489 5.358 -1.581 612 HG21 ILE 79 HG21 ILE 79 10.972 5.518 1.176 613 HG22 ILE 79 HG22 ILE 79 10.015 4.851 -0.178 614 HG23 ILE 79 HG23 ILE 79 10.502 3.795 1.109 615 HD11 ILE 79 HD11 ILE 79 10.723 6.615 -1.506 616 HD12 ILE 79 HD12 ILE 79 12.041 6.953 -2.630 617 HD13 ILE 79 HD13 ILE 79 11.217 5.383 -2.697 618 H ALA 80 H ALA 80 12.517 1.271 0.931 619 HA ALA 80 HA ALA 80 11.942 1.741 3.824 620 HB1 ALA 80 HB1 ALA 80 10.010 1.491 2.419 621 HB2 ALA 80 HB2 ALA 80 10.631 -0.024 1.787 622 HB3 ALA 80 HB3 ALA 80 10.185 0.108 3.518 623 H ALA 81 H ALA 81 14.155 0.088 1.844 624 HA ALA 81 HA ALA 81 14.449 -2.347 3.232 625 HB1 ALA 81 HB1 ALA 81 16.744 -2.309 2.167 626 HB2 ALA 81 HB2 ALA 81 15.463 -1.874 1.040 627 HB3 ALA 81 HB3 ALA 81 16.489 -0.613 1.748 628 HA PRO 82 HA PRO 82 16.869 -3.538 3.885 629 HB2 PRO 82 HB2 PRO 82 17.463 -4.909 6.150 630 HB3 PRO 82 HB3 PRO 82 18.566 -3.714 5.412 631 HG2 PRO 82 HG2 PRO 82 16.586 -3.269 7.674 632 HG3 PRO 82 HG3 PRO 82 18.331 -2.856 7.643 633 HD2 PRO 82 HD2 PRO 82 16.409 -1.046 7.058 634 HD3 PRO 82 HD3 PRO 82 17.951 -1.056 6.142 635 H ALA 83 H ALA 83 14.039 -2.686 5.646 636 HA ALA 83 HA ALA 83 12.989 -5.184 6.348 637 HB1 ALA 83 HB1 ALA 83 10.793 -4.037 6.170 638 HB2 ALA 83 HB2 ALA 83 11.985 -3.015 6.994 639 HB3 ALA 83 HB3 ALA 83 11.549 -2.711 5.291 640 H GLU 84 H GLU 84 11.184 -6.343 5.285 641 HA GLU 84 HA GLU 84 11.823 -6.934 2.520 642 HB2 GLU 84 HB2 GLU 84 10.240 -8.192 4.760 643 HB3 GLU 84 HB3 GLU 84 9.731 -8.555 3.112 644 HG2 GLU 84 HG2 GLU 84 12.594 -8.887 4.042 645 HG3 GLU 84 HG3 GLU 84 11.366 -10.151 4.059 646 H ILE 85 H ILE 85 10.868 -5.984 0.887 647 HA ILE 85 HA ILE 85 8.304 -4.529 1.306 648 HB ILE 85 HB ILE 85 10.783 -3.965 -0.344 649 HG12 ILE 85 HG12 ILE 85 10.619 -1.788 0.445 650 HG13 ILE 85 HG13 ILE 85 8.928 -1.950 0.936 651 HG21 ILE 85 HG21 ILE 85 9.063 -3.964 -2.084 652 HG22 ILE 85 HG22 ILE 85 8.002 -2.994 -1.081 653 HG23 ILE 85 HG23 ILE 85 9.527 -2.299 -1.713 654 HD11 ILE 85 HD11 ILE 85 10.586 -1.953 2.869 655 HD12 ILE 85 HD12 ILE 85 9.518 -3.339 2.812 656 HD13 ILE 85 HD13 ILE 85 11.209 -3.450 2.228 657 H PHE 86 H PHE 86 6.594 -4.892 0.143 658 HA PHE 86 HA PHE 86 6.736 -6.720 -2.159 659 HB2 PHE 86 HB2 PHE 86 4.630 -6.704 0.061 660 HB3 PHE 86 HB3 PHE 86 4.586 -7.712 -1.356 661 HD1 PHE 86 HD1 PHE 86 6.820 -7.097 1.659 662 HD2 PHE 86 HD2 PHE 86 5.104 -9.934 -1.108 663 HE1 PHE 86 HE1 PHE 86 7.681 -8.942 3.002 664 HE2 PHE 86 HE2 PHE 86 5.995 -11.791 0.263 665 HZ PHE 86 HZ PHE 86 7.330 -11.303 2.285 666 H LEU 87 H LEU 87 4.636 -6.772 -3.329 667 HA LEU 87 HA LEU 87 3.513 -4.035 -3.619 668 HB2 LEU 87 HB2 LEU 87 5.034 -5.677 -5.558 669 HB3 LEU 87 HB3 LEU 87 3.386 -5.404 -6.089 670 HG LEU 87 HG LEU 87 3.789 -2.917 -5.534 671 HD11 LEU 87 HD11 LEU 87 6.137 -2.167 -5.918 672 HD12 LEU 87 HD12 LEU 87 6.678 -3.849 -5.863 673 HD13 LEU 87 HD13 LEU 87 5.979 -3.094 -4.406 674 HD21 LEU 87 HD21 LEU 87 3.439 -3.771 -7.783 675 HD22 LEU 87 HD22 LEU 87 5.111 -4.368 -7.856 676 HD23 LEU 87 HD23 LEU 87 4.789 -2.630 -7.810 677 H LEU 88 H LEU 88 1.389 -4.223 -3.207 678 HA LEU 88 HA LEU 88 0.132 -6.928 -3.247 679 HB2 LEU 88 HB2 LEU 88 -0.322 -5.757 -1.260 680 HB3 LEU 88 HB3 LEU 88 -0.721 -4.253 -2.107 681 HG LEU 88 HG LEU 88 -2.827 -5.265 -2.922 682 HD11 LEU 88 HD11 LEU 88 -1.882 -7.880 -1.758 683 HD12 LEU 88 HD12 LEU 88 -2.331 -7.526 -3.421 684 HD13 LEU 88 HD13 LEU 88 -3.582 -7.518 -2.178 685 HD21 LEU 88 HD21 LEU 88 -2.468 -5.930 0.026 686 HD22 LEU 88 HD22 LEU 88 -3.985 -5.511 -0.821 687 HD23 LEU 88 HD23 LEU 88 -2.724 -4.302 -0.623 688 H GLU 89 H GLU 89 0.024 -7.346 -5.366 689 HA GLU 89 HA GLU 89 -0.420 -7.202 -7.570 690 HB2 GLU 89 HB2 GLU 89 -2.508 -7.939 -6.109 691 HB3 GLU 89 HB3 GLU 89 -3.200 -6.456 -6.727 692 HG2 GLU 89 HG2 GLU 89 -3.913 -8.191 -8.168 693 HG3 GLU 89 HG3 GLU 89 -2.683 -7.304 -9.081 694 H ASP 90 H ASP 90 -2.829 -5.391 -8.519 695 HA ASP 90 HA ASP 90 -1.121 -3.034 -9.150 696 HB2 ASP 90 HB2 ASP 90 -3.369 -4.441 -10.549 697 HB3 ASP 90 HB3 ASP 90 -3.300 -2.689 -10.726 698 H GLY 91 H GLY 91 -1.448 -2.982 -6.745 699 HA2 GLY 91 HA2 GLY 91 -2.096 -1.589 -5.106 700 HA3 GLY 91 HA3 GLY 91 -2.769 -0.525 -6.357 701 H ILE 92 H ILE 92 -4.806 -0.217 -6.059 702 HA ILE 92 HA ILE 92 -6.570 -1.596 -4.300 703 HB ILE 92 HB ILE 92 -6.891 0.480 -6.426 704 HG12 ILE 92 HG12 ILE 92 -6.122 0.935 -4.081 705 HG13 ILE 92 HG13 ILE 92 -7.484 1.901 -4.641 706 HG21 ILE 92 HG21 ILE 92 -8.923 -0.693 -6.892 707 HG22 ILE 92 HG22 ILE 92 -9.324 -0.830 -5.169 708 HG23 ILE 92 HG23 ILE 92 -9.314 0.757 -5.967 709 HD11 ILE 92 HD11 ILE 92 -9.031 0.599 -3.280 710 HD12 ILE 92 HD12 ILE 92 -7.723 -0.510 -2.787 711 HD13 ILE 92 HD13 ILE 92 -7.678 1.188 -2.305 712 H ASP 93 H ASP 93 -5.709 -2.388 -7.553 713 HA ASP 93 HA ASP 93 -7.810 -3.981 -8.486 714 HB2 ASP 93 HB2 ASP 93 -5.769 -3.329 -9.714 715 HB3 ASP 93 HB3 ASP 93 -4.805 -4.346 -8.633 716 H GLY 94 H GLY 94 -5.035 -4.864 -6.400 717 HA2 GLY 94 HA2 GLY 94 -5.574 -7.574 -6.032 718 HA3 GLY 94 HA3 GLY 94 -4.662 -6.548 -4.912 719 H TRP 95 H TRP 95 -6.213 -5.029 -3.518 720 HA TRP 95 HA TRP 95 -7.521 -6.539 -1.695 721 HB2 TRP 95 HB2 TRP 95 -6.889 -4.266 -1.364 722 HB3 TRP 95 HB3 TRP 95 -8.116 -3.682 -2.488 723 HD1 TRP 95 HD1 TRP 95 -9.917 -2.608 -1.152 724 HE1 TRP 95 HE1 TRP 95 -11.135 -3.038 1.130 725 HE3 TRP 95 HE3 TRP 95 -7.380 -6.723 0.408 726 HZ2 TRP 95 HZ2 TRP 95 -10.608 -4.563 3.509 727 HZ3 TRP 95 HZ3 TRP 95 -7.590 -7.521 2.713 728 HH2 TRP 95 HH2 TRP 95 -9.227 -6.518 4.284 729 H LYS 96 H LYS 96 -9.009 -4.774 -4.490 730 HA LYS 96 HA LYS 96 -11.696 -5.631 -3.971 731 HB2 LYS 96 HB2 LYS 96 -10.982 -3.574 -5.293 732 HB3 LYS 96 HB3 LYS 96 -10.510 -4.670 -6.602 733 HG2 LYS 96 HG2 LYS 96 -12.938 -5.555 -6.519 734 HG3 LYS 96 HG3 LYS 96 -13.315 -4.201 -5.457 735 HD2 LYS 96 HD2 LYS 96 -12.955 -2.629 -7.214 736 HD3 LYS 96 HD3 LYS 96 -11.955 -3.787 -8.124 737 HE2 LYS 96 HE2 LYS 96 -13.939 -5.252 -8.420 738 HE3 LYS 96 HE3 LYS 96 -14.959 -3.980 -7.731 739 HZ1 LYS 96 HZ1 LYS 96 -13.200 -3.570 -10.078 740 HZ2 LYS 96 HZ2 LYS 96 -14.420 -2.586 -9.549 741 HZ3 LYS 96 HZ3 LYS 96 -14.776 -4.059 -10.205 742 H LYS 97 H LYS 97 -9.037 -7.150 -5.868 743 HA LYS 97 HA LYS 97 -10.540 -8.809 -7.485 744 HB2 LYS 97 HB2 LYS 97 -7.887 -8.478 -7.052 745 HB3 LYS 97 HB3 LYS 97 -8.091 -9.961 -6.160 746 HG2 LYS 97 HG2 LYS 97 -9.340 -9.976 -8.877 747 HG3 LYS 97 HG3 LYS 97 -7.612 -9.640 -8.883 748 HD2 LYS 97 HD2 LYS 97 -7.152 -11.682 -7.601 749 HD3 LYS 97 HD3 LYS 97 -8.886 -12.046 -7.537 750 HE2 LYS 97 HE2 LYS 97 -8.964 -12.177 -10.002 751 HE3 LYS 97 HE3 LYS 97 -7.255 -11.714 -10.103 752 HZ1 LYS 97 HZ1 LYS 97 -6.630 -13.707 -9.088 753 HZ2 LYS 97 HZ2 LYS 97 -7.741 -14.180 -10.223 754 HZ3 LYS 97 HZ3 LYS 97 -8.135 -14.092 -8.625 755 H ALA 98 H ALA 98 -9.541 -9.403 -4.080 756 HA ALA 98 HA ALA 98 -10.910 -11.948 -3.891 757 HB1 ALA 98 HB1 ALA 98 -8.963 -11.458 -2.511 758 HB2 ALA 98 HB2 ALA 98 -9.782 -10.056 -1.795 759 HB3 ALA 98 HB3 ALA 98 -10.372 -11.701 -1.464 760 H GLY 99 H GLY 99 -12.032 -8.715 -3.857 761 HA2 GLY 99 HA2 GLY 99 -14.212 -7.992 -3.878 762 HA3 GLY 99 HA3 GLY 99 -14.754 -9.477 -3.111 763 H LEU 100 H LEU 100 -12.061 -7.833 -1.521 764 HA LEU 100 HA LEU 100 -13.813 -7.365 0.724 765 HB2 LEU 100 HB2 LEU 100 -10.879 -6.905 0.230 766 HB3 LEU 100 HB3 LEU 100 -11.695 -6.547 1.758 767 HG LEU 100 HG LEU 100 -12.256 -9.277 0.756 768 HD11 LEU 100 HD11 LEU 100 -9.465 -8.823 1.811 769 HD12 LEU 100 HD12 LEU 100 -9.837 -8.880 0.082 770 HD13 LEU 100 HD13 LEU 100 -10.174 -10.289 1.104 771 HD21 LEU 100 HD21 LEU 100 -11.981 -9.860 3.080 772 HD22 LEU 100 HD22 LEU 100 -12.873 -8.342 3.022 773 HD23 LEU 100 HD23 LEU 100 -11.149 -8.311 3.435 774 HA PRO 101 HA PRO 101 -14.497 -3.063 -0.443 775 HB2 PRO 101 HB2 PRO 101 -15.933 -2.215 1.699 776 HB3 PRO 101 HB3 PRO 101 -16.597 -3.420 0.551 777 HG2 PRO 101 HG2 PRO 101 -15.312 -3.930 3.249 778 HG3 PRO 101 HG3 PRO 101 -16.815 -4.638 2.579 779 HD2 PRO 101 HD2 PRO 101 -14.338 -5.890 2.479 780 HD3 PRO 101 HD3 PRO 101 -15.626 -6.159 1.274 781 H VAL 102 H VAL 102 -13.473 -0.992 0.090 782 HA VAL 102 HA VAL 102 -11.124 -1.049 1.744 783 HB VAL 102 HB VAL 102 -11.158 1.338 0.749 784 HG11 VAL 102 HG11 VAL 102 -9.922 -0.481 -0.377 785 HG12 VAL 102 HG12 VAL 102 -11.399 -0.949 -1.268 786 HG13 VAL 102 HG13 VAL 102 -10.643 0.629 -1.545 787 HG21 VAL 102 HG21 VAL 102 -13.385 0.345 -1.084 788 HG22 VAL 102 HG22 VAL 102 -13.765 1.209 0.416 789 HG23 VAL 102 HG23 VAL 102 -12.786 1.971 -0.828 790 H ALA 103 H ALA 103 -10.845 1.092 3.146 791 HA ALA 103 HA ALA 103 -13.090 1.171 5.050 792 HB1 ALA 103 HB1 ALA 103 -10.758 1.135 5.882 793 HB2 ALA 103 HB2 ALA 103 -10.470 2.704 5.082 794 HB3 ALA 103 HB3 ALA 103 -11.649 2.594 6.384 795 H VAL 104 H VAL 104 -14.539 1.986 3.248 796 HA VAL 104 HA VAL 104 -14.141 4.738 2.350 797 HB VAL 104 HB VAL 104 -16.680 4.263 1.592 798 HG11 VAL 104 HG11 VAL 104 -15.614 2.884 -0.405 799 HG12 VAL 104 HG12 VAL 104 -15.304 4.599 -0.146 800 HG13 VAL 104 HG13 VAL 104 -14.105 3.421 0.383 801 HG21 VAL 104 HG21 VAL 104 -17.285 2.014 1.188 802 HG22 VAL 104 HG22 VAL 104 -15.740 1.380 1.769 803 HG23 VAL 104 HG23 VAL 104 -16.893 2.131 2.906 804 H ASN 105 H ASN 105 -15.916 6.365 2.702 805 HA ASN 105 HA ASN 105 -16.716 6.475 5.532 806 HB2 ASN 105 HB2 ASN 105 -16.882 8.433 3.211 807 HB3 ASN 105 HB3 ASN 105 -17.600 8.741 4.763 808 HD21 ASN 105 HD21 ASN 105 -16.254 8.774 6.682 809 HD22 ASN 105 HD22 ASN 105 -14.585 9.344 6.516 810 H LYS 106 H LYS 106 -18.554 5.455 6.065 811 HA LYS 106 HA LYS 106 -20.362 4.367 4.161 812 HB2 LYS 106 HB2 LYS 106 -19.857 4.138 6.958 813 HB3 LYS 106 HB3 LYS 106 -21.539 4.623 6.848 814 HG2 LYS 106 HG2 LYS 106 -20.335 2.344 5.249 815 HG3 LYS 106 HG3 LYS 106 -20.972 2.126 6.880 816 HD2 LYS 106 HD2 LYS 106 -23.207 2.561 6.252 817 HD3 LYS 106 HD3 LYS 106 -22.735 3.338 4.726 818 HE2 LYS 106 HE2 LYS 106 -21.733 1.217 3.939 819 HE3 LYS 106 HE3 LYS 106 -22.229 0.423 5.435 820 HZ1 LYS 106 HZ1 LYS 106 -24.087 1.572 3.443 821 HZ2 LYS 106 HZ2 LYS 106 -24.504 0.722 4.794 822 HZ3 LYS 106 HZ3 LYS 106 -23.670 -0.007 3.562 823 H SER 107 H SER 107 -22.229 5.075 3.263 824 HA SER 107 HA SER 107 -23.602 7.454 4.311 825 HB2 SER 107 HB2 SER 107 -23.753 8.418 2.040 826 HB3 SER 107 HB3 SER 107 -22.093 8.369 2.639 827 HG SER 107 HG SER 107 -23.314 6.691 0.691 828 H GLN 108 H GLN 108 -25.797 7.542 2.698 829 HA GLN 108 HA GLN 108 -26.657 4.741 2.301 830 HB2 GLN 108 HB2 GLN 108 -28.239 6.831 3.840 831 HB3 GLN 108 HB3 GLN 108 -28.818 5.235 3.333 832 HG2 GLN 108 HG2 GLN 108 -26.866 4.210 4.611 833 HG3 GLN 108 HG3 GLN 108 -26.495 5.808 5.237 834 HE21 GLN 108 HE21 GLN 108 -29.074 3.341 5.071 835 HE22 GLN 108 HE22 GLN 108 -29.700 3.662 6.686 Start of MODEL 2 1 H ALA 1 H ALA 1 12.319 -10.404 -2.348 2 HA ALA 1 HA ALA 1 11.328 -8.367 -1.426 3 HB1 ALA 1 HB1 ALA 1 13.916 -7.068 -2.367 4 HB2 ALA 1 HB2 ALA 1 12.534 -6.262 -1.600 5 HB3 ALA 1 HB3 ALA 1 13.502 -7.428 -0.673 6 H LEU 2 H LEU 2 10.456 -6.609 -2.745 7 HA LEU 2 HA LEU 2 9.280 -5.910 -4.438 8 HB2 LEU 2 HB2 LEU 2 11.821 -6.386 -6.022 9 HB3 LEU 2 HB3 LEU 2 10.423 -5.493 -6.608 10 HG LEU 2 HG LEU 2 12.310 -4.722 -4.365 11 HD11 LEU 2 HD11 LEU 2 12.654 -2.724 -5.786 12 HD12 LEU 2 HD12 LEU 2 11.495 -3.352 -6.973 13 HD13 LEU 2 HD13 LEU 2 13.012 -4.206 -6.680 14 HD21 LEU 2 HD21 LEU 2 9.526 -3.710 -4.959 15 HD22 LEU 2 HD22 LEU 2 10.748 -2.625 -4.273 16 HD23 LEU 2 HD23 LEU 2 10.323 -4.108 -3.416 17 H THR 3 H THR 3 7.861 -7.726 -4.184 18 HA THR 3 HA THR 3 7.662 -9.242 -6.724 19 HB THR 3 HB THR 3 7.597 -10.249 -3.888 20 HG1 THR 3 HG1 THR 3 8.918 -11.883 -5.070 21 HG21 THR 3 HG21 THR 3 6.488 -11.713 -6.291 22 HG22 THR 3 HG22 THR 3 5.571 -11.173 -4.851 23 HG23 THR 3 HG23 THR 3 6.801 -12.420 -4.695 24 H THR 4 H THR 4 5.603 -9.646 -7.387 25 HA THR 4 HA THR 4 3.520 -7.810 -6.424 26 HB THR 4 HB THR 4 2.358 -8.896 -8.521 27 HG1 THR 4 HG1 THR 4 4.100 -10.508 -8.715 28 HG21 THR 4 HG21 THR 4 3.176 -6.552 -8.417 29 HG22 THR 4 HG22 THR 4 3.468 -7.285 -10.004 30 HG23 THR 4 HG23 THR 4 4.809 -7.106 -8.855 31 H ILE 5 H ILE 5 2.772 -8.681 -4.529 32 HA ILE 5 HA ILE 5 2.305 -11.562 -4.245 33 HB ILE 5 HB ILE 5 3.111 -10.666 -2.307 34 HG12 ILE 5 HG12 ILE 5 0.176 -10.471 -1.653 35 HG13 ILE 5 HG13 ILE 5 0.951 -12.004 -2.032 36 HG21 ILE 5 HG21 ILE 5 2.396 -8.579 -1.191 37 HG22 ILE 5 HG22 ILE 5 2.910 -8.248 -2.830 38 HG23 ILE 5 HG23 ILE 5 1.184 -8.302 -2.459 39 HD11 ILE 5 HD11 ILE 5 0.890 -11.658 0.388 40 HD12 ILE 5 HD12 ILE 5 2.562 -11.674 -0.189 41 HD13 ILE 5 HD13 ILE 5 1.790 -10.139 0.222 42 H SER 6 H SER 6 0.458 -12.596 -4.564 43 HA SER 6 HA SER 6 -1.689 -11.452 -5.967 44 HB2 SER 6 HB2 SER 6 -1.264 -14.027 -4.386 45 HB3 SER 6 HB3 SER 6 -2.798 -13.685 -5.183 46 HG SER 6 HG SER 6 -0.404 -13.444 -6.691 47 HA PRO 7 HA PRO 7 -4.093 -9.801 -2.663 48 HB2 PRO 7 HB2 PRO 7 -6.663 -10.067 -3.531 49 HB3 PRO 7 HB3 PRO 7 -5.468 -8.940 -4.267 50 HG2 PRO 7 HG2 PRO 7 -6.272 -11.687 -5.231 51 HG3 PRO 7 HG3 PRO 7 -6.094 -10.168 -6.184 52 HD2 PRO 7 HD2 PRO 7 -4.121 -12.064 -6.053 53 HD3 PRO 7 HD3 PRO 7 -3.781 -10.332 -6.205 54 H HIS 8 H HIS 8 -5.750 -10.473 -1.069 55 HA HIS 8 HA HIS 8 -6.690 -11.864 0.437 56 HB2 HIS 8 HB2 HIS 8 -7.538 -13.160 -1.586 57 HB3 HIS 8 HB3 HIS 8 -6.187 -14.267 -1.332 58 HD1 HIS 8 HD1 HIS 8 -9.680 -13.897 -0.336 59 HD2 HIS 8 HD2 HIS 8 -6.085 -15.449 1.233 60 HE1 HIS 8 HE1 HIS 8 -10.342 -15.530 1.470 61 H ASP 9 H ASP 9 -3.595 -13.170 -1.013 62 HA ASP 9 HA ASP 9 -2.770 -14.514 1.382 63 HB2 ASP 9 HB2 ASP 9 -1.350 -13.517 -1.106 64 HB3 ASP 9 HB3 ASP 9 -0.402 -13.861 0.320 65 H ALA 10 H ALA 10 -1.837 -11.344 0.116 66 HA ALA 10 HA ALA 10 -0.417 -10.478 2.357 67 HB1 ALA 10 HB1 ALA 10 -0.766 -8.191 1.476 68 HB2 ALA 10 HB2 ALA 10 -0.355 -9.310 0.180 69 HB3 ALA 10 HB3 ALA 10 -2.042 -8.814 0.402 70 H GLN 11 H GLN 11 -3.905 -10.809 2.227 71 HA GLN 11 HA GLN 11 -4.540 -8.690 4.026 72 HB2 GLN 11 HB2 GLN 11 -6.167 -9.846 2.600 73 HB3 GLN 11 HB3 GLN 11 -5.864 -11.378 3.401 74 HG2 GLN 11 HG2 GLN 11 -6.662 -9.087 5.120 75 HG3 GLN 11 HG3 GLN 11 -7.881 -9.750 4.022 76 HE21 GLN 11 HE21 GLN 11 -8.639 -9.906 6.608 77 HE22 GLN 11 HE22 GLN 11 -8.530 -11.577 7.099 78 H GLU 12 H GLU 12 -3.049 -11.874 4.462 79 HA GLU 12 HA GLU 12 -3.711 -12.130 7.224 80 HB2 GLU 12 HB2 GLU 12 -3.277 -14.078 5.791 81 HB3 GLU 12 HB3 GLU 12 -1.633 -13.526 5.446 82 HG2 GLU 12 HG2 GLU 12 -0.953 -13.760 7.690 83 HG3 GLU 12 HG3 GLU 12 -2.607 -13.846 8.286 84 H LEU 13 H LEU 13 -0.545 -11.514 5.547 85 HA LEU 13 HA LEU 13 0.805 -10.777 7.826 86 HB2 LEU 13 HB2 LEU 13 2.476 -9.697 6.298 87 HB3 LEU 13 HB3 LEU 13 2.017 -11.354 5.959 88 HG LEU 13 HG LEU 13 0.321 -10.306 4.265 89 HD11 LEU 13 HD11 LEU 13 2.441 -8.146 4.143 90 HD12 LEU 13 HD12 LEU 13 0.815 -7.883 4.801 91 HD13 LEU 13 HD13 LEU 13 0.971 -8.352 3.143 92 HD21 LEU 13 HD21 LEU 13 3.282 -10.627 3.826 93 HD22 LEU 13 HD22 LEU 13 2.144 -10.312 2.502 94 HD23 LEU 13 HD23 LEU 13 1.967 -11.765 3.483 95 H ILE 14 H ILE 14 -1.128 -8.584 5.759 96 HA ILE 14 HA ILE 14 -0.350 -6.210 7.126 97 HB ILE 14 HB ILE 14 -2.079 -7.047 5.026 98 HG12 ILE 14 HG12 ILE 14 -1.531 -4.157 5.507 99 HG13 ILE 14 HG13 ILE 14 -0.183 -5.261 5.205 100 HG21 ILE 14 HG21 ILE 14 -4.000 -6.913 6.323 101 HG22 ILE 14 HG22 ILE 14 -3.596 -5.275 6.879 102 HG23 ILE 14 HG23 ILE 14 -3.999 -5.557 5.173 103 HD11 ILE 14 HD11 ILE 14 -1.144 -6.058 3.139 104 HD12 ILE 14 HD12 ILE 14 -2.574 -5.016 3.359 105 HD13 ILE 14 HD13 ILE 14 -0.970 -4.294 3.104 106 H ALA 15 H ALA 15 -3.004 -8.541 7.775 107 HA ALA 15 HA ALA 15 -4.070 -7.059 9.991 108 HB1 ALA 15 HB1 ALA 15 -5.422 -9.059 10.324 109 HB2 ALA 15 HB2 ALA 15 -5.372 -8.673 8.599 110 HB3 ALA 15 HB3 ALA 15 -4.369 -9.994 9.239 111 H ARG 16 H ARG 16 -1.134 -8.560 9.729 112 HA ARG 16 HA ARG 16 -1.054 -9.521 12.555 113 HB2 ARG 16 HB2 ARG 16 0.872 -10.019 10.270 114 HB3 ARG 16 HB3 ARG 16 1.000 -10.672 11.891 115 HG2 ARG 16 HG2 ARG 16 -1.640 -11.205 10.538 116 HG3 ARG 16 HG3 ARG 16 -0.232 -11.864 9.731 117 HD2 ARG 16 HD2 ARG 16 0.409 -12.789 12.091 118 HD3 ARG 16 HD3 ARG 16 -1.278 -12.430 12.507 119 HE ARG 16 HE ARG 16 -1.415 -13.861 10.142 120 HH11 ARG 16 HH11 ARG 16 -0.265 -14.369 13.442 121 HH12 ARG 16 HH12 ARG 16 -0.549 -16.085 13.415 122 HH21 ARG 16 HH21 ARG 16 -1.616 -16.198 10.031 123 HH22 ARG 16 HH22 ARG 16 -1.037 -17.161 11.347 124 H GLY 17 H GLY 17 0.682 -7.515 10.104 125 HA2 GLY 17 HA2 GLY 17 1.134 -5.354 11.833 126 HA3 GLY 17 HA3 GLY 17 2.539 -6.407 11.992 127 H ALA 18 H ALA 18 2.000 -7.074 8.863 128 HA ALA 18 HA ALA 18 4.014 -5.400 7.917 129 HB1 ALA 18 HB1 ALA 18 3.319 -6.101 5.666 130 HB2 ALA 18 HB2 ALA 18 3.326 -7.483 6.788 131 HB3 ALA 18 HB3 ALA 18 1.790 -6.693 6.331 132 H LYS 19 H LYS 19 4.021 -3.504 6.655 133 HA LYS 19 HA LYS 19 1.530 -1.829 6.872 134 HB2 LYS 19 HB2 LYS 19 4.436 -1.253 7.180 135 HB3 LYS 19 HB3 LYS 19 3.502 -0.047 6.298 136 HG2 LYS 19 HG2 LYS 19 3.504 0.455 8.701 137 HG3 LYS 19 HG3 LYS 19 1.907 0.187 8.105 138 HD2 LYS 19 HD2 LYS 19 2.172 -2.241 8.979 139 HD3 LYS 19 HD3 LYS 19 3.536 -1.595 9.901 140 HE2 LYS 19 HE2 LYS 19 1.956 0.051 10.868 141 HE3 LYS 19 HE3 LYS 19 0.642 -0.612 9.883 142 HZ1 LYS 19 HZ1 LYS 19 2.141 -2.213 11.850 143 HZ2 LYS 19 HZ2 LYS 19 0.838 -2.690 10.947 144 HZ3 LYS 19 HZ3 LYS 19 0.653 -1.530 12.111 145 H LEU 20 H LEU 20 1.181 -0.242 5.123 146 HA LEU 20 HA LEU 20 2.109 -1.008 2.440 147 HB2 LEU 20 HB2 LEU 20 0.058 -2.229 2.890 148 HB3 LEU 20 HB3 LEU 20 -0.752 -0.759 3.416 149 HG LEU 20 HG LEU 20 -0.662 0.138 1.139 150 HD11 LEU 20 HD11 LEU 20 1.358 -0.927 0.247 151 HD12 LEU 20 HD12 LEU 20 -0.038 -1.287 -0.778 152 HD13 LEU 20 HD13 LEU 20 0.540 -2.514 0.334 153 HD21 LEU 20 HD21 LEU 20 -2.492 -1.388 1.954 154 HD22 LEU 20 HD22 LEU 20 -1.686 -2.744 1.177 155 HD23 LEU 20 HD23 LEU 20 -2.305 -1.402 0.184 156 H ILE 21 H ILE 21 2.388 0.928 1.149 157 HA ILE 21 HA ILE 21 1.861 3.499 2.583 158 HB ILE 21 HB ILE 21 3.963 3.083 0.454 159 HG12 ILE 21 HG12 ILE 21 4.571 1.439 2.090 160 HG13 ILE 21 HG13 ILE 21 5.707 2.765 2.104 161 HG21 ILE 21 HG21 ILE 21 3.692 5.048 2.744 162 HG22 ILE 21 HG22 ILE 21 5.030 5.018 1.572 163 HG23 ILE 21 HG23 ILE 21 3.387 5.404 1.032 164 HD11 ILE 21 HD11 ILE 21 3.483 2.492 4.150 165 HD12 ILE 21 HD12 ILE 21 5.116 1.913 4.394 166 HD13 ILE 21 HD13 ILE 21 4.831 3.649 4.167 167 H ASP 22 H ASP 22 0.569 4.901 1.752 168 HA ASP 22 HA ASP 22 -0.729 4.619 -0.805 169 HB2 ASP 22 HB2 ASP 22 -0.788 6.666 1.434 170 HB3 ASP 22 HB3 ASP 22 -1.768 6.813 -0.010 171 H ILE 23 H ILE 23 1.527 4.844 -1.942 172 HA ILE 23 HA ILE 23 2.483 7.614 -2.220 173 HB ILE 23 HB ILE 23 4.053 6.662 -3.835 174 HG12 ILE 23 HG12 ILE 23 3.174 3.824 -3.243 175 HG13 ILE 23 HG13 ILE 23 2.245 4.719 -4.436 176 HG21 ILE 23 HG21 ILE 23 4.559 6.559 -1.383 177 HG22 ILE 23 HG22 ILE 23 3.932 4.897 -1.347 178 HG23 ILE 23 HG23 ILE 23 5.353 5.279 -2.330 179 HD11 ILE 23 HD11 ILE 23 4.108 5.201 -5.763 180 HD12 ILE 23 HD12 ILE 23 5.236 4.471 -4.575 181 HD13 ILE 23 HD13 ILE 23 4.040 3.451 -5.456 182 H ARG 24 H ARG 24 -0.071 7.770 -2.730 183 HA ARG 24 HA ARG 24 -0.377 8.048 -5.703 184 HB2 ARG 24 HB2 ARG 24 -2.946 7.622 -5.025 185 HB3 ARG 24 HB3 ARG 24 -1.835 6.364 -5.515 186 HG2 ARG 24 HG2 ARG 24 -1.421 5.619 -3.317 187 HG3 ARG 24 HG3 ARG 24 -2.153 7.074 -2.602 188 HD2 ARG 24 HD2 ARG 24 -4.212 5.812 -4.164 189 HD3 ARG 24 HD3 ARG 24 -3.405 4.549 -3.216 190 HE ARG 24 HE ARG 24 -3.874 6.756 -1.522 191 HH11 ARG 24 HH11 ARG 24 -5.764 3.997 -2.810 192 HH12 ARG 24 HH12 ARG 24 -6.914 4.114 -1.507 193 HH21 ARG 24 HH21 ARG 24 -5.354 6.909 -0.047 194 HH22 ARG 24 HH22 ARG 24 -6.759 5.893 0.060 195 H ASP 25 H ASP 25 -2.935 9.173 -3.489 196 HA ASP 25 HA ASP 25 -1.878 11.875 -3.507 197 HB2 ASP 25 HB2 ASP 25 -3.156 11.178 -5.812 198 HB3 ASP 25 HB3 ASP 25 -4.565 11.612 -4.843 199 H ALA 26 H ALA 26 -3.515 13.377 -2.504 200 HA ALA 26 HA ALA 26 -4.526 12.161 -0.040 201 HB1 ALA 26 HB1 ALA 26 -4.924 14.496 0.603 202 HB2 ALA 26 HB2 ALA 26 -3.301 14.335 -0.085 203 HB3 ALA 26 HB3 ALA 26 -4.622 15.041 -1.049 204 H ASP 27 H ASP 27 -6.003 13.158 -3.097 205 HA ASP 27 HA ASP 27 -8.672 13.383 -1.891 206 HB2 ASP 27 HB2 ASP 27 -7.563 13.693 -4.661 207 HB3 ASP 27 HB3 ASP 27 -9.283 13.369 -4.448 208 H GLU 28 H GLU 28 -6.720 10.779 -3.018 209 HA GLU 28 HA GLU 28 -8.851 8.984 -3.801 210 HB2 GLU 28 HB2 GLU 28 -6.055 8.387 -2.708 211 HB3 GLU 28 HB3 GLU 28 -7.125 7.214 -3.476 212 HG2 GLU 28 HG2 GLU 28 -5.870 9.654 -4.794 213 HG3 GLU 28 HG3 GLU 28 -5.361 7.981 -4.994 214 H TYR 29 H TYR 29 -6.975 9.475 -0.817 215 HA TYR 29 HA TYR 29 -8.191 7.529 0.767 216 HB2 TYR 29 HB2 TYR 29 -6.066 8.468 1.332 217 HB3 TYR 29 HB3 TYR 29 -6.751 10.077 1.505 218 HD1 TYR 29 HD1 TYR 29 -7.817 6.686 2.842 219 HD2 TYR 29 HD2 TYR 29 -6.583 10.722 3.764 220 HE1 TYR 29 HE1 TYR 29 -8.446 6.336 5.196 221 HE2 TYR 29 HE2 TYR 29 -7.197 10.366 6.116 222 HH TYR 29 HH TYR 29 -9.209 7.886 7.112 223 H LEU 30 H LEU 30 -9.585 10.478 -0.334 224 HA LEU 30 HA LEU 30 -11.240 11.075 1.947 225 HB2 LEU 30 HB2 LEU 30 -10.406 12.619 0.103 226 HB3 LEU 30 HB3 LEU 30 -11.611 11.916 -0.973 227 HG LEU 30 HG LEU 30 -12.320 13.079 1.732 228 HD11 LEU 30 HD11 LEU 30 -12.788 15.215 0.611 229 HD12 LEU 30 HD12 LEU 30 -12.161 14.573 -0.923 230 HD13 LEU 30 HD13 LEU 30 -11.087 14.783 0.472 231 HD21 LEU 30 HD21 LEU 30 -14.535 13.539 0.579 232 HD22 LEU 30 HD22 LEU 30 -14.179 11.831 0.759 233 HD23 LEU 30 HD23 LEU 30 -13.944 12.610 -0.818 234 H ARG 31 H ARG 31 -11.904 9.675 -1.318 235 HA ARG 31 HA ARG 31 -14.558 8.783 -0.460 236 HB2 ARG 31 HB2 ARG 31 -12.937 8.417 -3.007 237 HB3 ARG 31 HB3 ARG 31 -14.452 7.559 -2.718 238 HG2 ARG 31 HG2 ARG 31 -15.605 9.720 -2.302 239 HG3 ARG 31 HG3 ARG 31 -14.141 10.592 -2.784 240 HD2 ARG 31 HD2 ARG 31 -14.384 10.037 -5.010 241 HD3 ARG 31 HD3 ARG 31 -15.109 8.461 -4.654 242 HE ARG 31 HE ARG 31 -16.750 10.810 -4.021 243 HH11 ARG 31 HH11 ARG 31 -15.954 8.415 -6.566 244 HH12 ARG 31 HH12 ARG 31 -17.540 8.446 -7.246 245 HH21 ARG 31 HH21 ARG 31 -18.865 10.821 -4.973 246 HH22 ARG 31 HH22 ARG 31 -19.125 9.986 -6.459 247 H GLU 32 H GLU 32 -11.413 7.113 -1.197 248 HA GLU 32 HA GLU 32 -12.534 4.732 0.202 249 HB2 GLU 32 HB2 GLU 32 -10.817 4.888 -2.340 250 HB3 GLU 32 HB3 GLU 32 -11.241 3.401 -1.509 251 HG2 GLU 32 HG2 GLU 32 -13.722 4.162 -1.851 252 HG3 GLU 32 HG3 GLU 32 -13.071 5.300 -3.026 253 H HIS 33 H HIS 33 -10.332 3.192 0.313 254 HA HIS 33 HA HIS 33 -8.050 4.694 1.279 255 HB2 HIS 33 HB2 HIS 33 -9.419 4.648 3.322 256 HB3 HIS 33 HB3 HIS 33 -9.593 2.891 3.144 257 HD1 HIS 33 HD1 HIS 33 -8.331 2.773 5.721 258 HD2 HIS 33 HD2 HIS 33 -6.057 3.993 2.357 259 HE1 HIS 33 HE1 HIS 33 -5.915 2.324 6.237 260 H ILE 34 H ILE 34 -7.788 1.610 2.574 261 HA ILE 34 HA ILE 34 -7.846 -0.161 0.464 262 HB ILE 34 HB ILE 34 -5.747 1.754 0.184 263 HG12 ILE 34 HG12 ILE 34 -6.594 -0.577 -1.262 264 HG13 ILE 34 HG13 ILE 34 -5.928 0.963 -1.782 265 HG21 ILE 34 HG21 ILE 34 -4.716 0.880 2.178 266 HG22 ILE 34 HG22 ILE 34 -4.364 -0.612 1.309 267 HG23 ILE 34 HG23 ILE 34 -3.713 0.917 0.710 268 HD11 ILE 34 HD11 ILE 34 -3.613 -0.063 -1.296 269 HD12 ILE 34 HD12 ILE 34 -4.435 -1.606 -1.243 270 HD13 ILE 34 HD13 ILE 34 -4.518 -0.638 -2.707 271 HA PRO 35 HA PRO 35 -6.980 -2.770 3.979 272 HB2 PRO 35 HB2 PRO 35 -5.142 -4.689 3.163 273 HB3 PRO 35 HB3 PRO 35 -6.865 -4.642 2.822 274 HG2 PRO 35 HG2 PRO 35 -4.646 -3.940 0.923 275 HG3 PRO 35 HG3 PRO 35 -6.151 -4.655 0.583 276 HD2 PRO 35 HD2 PRO 35 -5.636 -2.003 0.271 277 HD3 PRO 35 HD3 PRO 35 -7.274 -2.636 0.472 278 H GLU 36 H GLU 36 -6.092 -1.328 5.323 279 HA GLU 36 HA GLU 36 -4.810 -0.611 6.953 280 HB2 GLU 36 HB2 GLU 36 -3.545 -3.111 6.167 281 HB3 GLU 36 HB3 GLU 36 -2.313 -2.010 6.696 282 HG2 GLU 36 HG2 GLU 36 -2.975 -3.180 8.598 283 HG3 GLU 36 HG3 GLU 36 -3.662 -1.559 8.760 284 H ALA 37 H ALA 37 -3.888 0.383 3.926 285 HA ALA 37 HA ALA 37 -1.249 1.226 4.355 286 HB1 ALA 37 HB1 ALA 37 -3.224 2.621 2.567 287 HB2 ALA 37 HB2 ALA 37 -1.457 2.741 2.510 288 HB3 ALA 37 HB3 ALA 37 -2.213 1.203 2.166 289 H ASP 38 H ASP 38 -0.540 3.612 4.221 290 HA ASP 38 HA ASP 38 -1.894 5.313 6.201 291 HB2 ASP 38 HB2 ASP 38 -0.096 3.810 7.265 292 HB3 ASP 38 HB3 ASP 38 1.078 4.717 6.324 293 H LEU 39 H LEU 39 -1.968 7.305 5.464 294 HA LEU 39 HA LEU 39 -1.357 8.059 2.924 295 HB2 LEU 39 HB2 LEU 39 -3.006 9.104 4.458 296 HB3 LEU 39 HB3 LEU 39 -1.687 9.859 5.355 297 HG LEU 39 HG LEU 39 -1.042 11.151 3.320 298 HD11 LEU 39 HD11 LEU 39 -2.789 11.178 1.437 299 HD12 LEU 39 HD12 LEU 39 -3.381 9.649 2.090 300 HD13 LEU 39 HD13 LEU 39 -1.704 9.763 1.469 301 HD21 LEU 39 HD21 LEU 39 -2.997 12.646 3.302 302 HD22 LEU 39 HD22 LEU 39 -2.684 12.071 4.948 303 HD23 LEU 39 HD23 LEU 39 -4.003 11.367 4.006 304 H ALA 40 H ALA 40 0.523 8.282 1.890 305 HA ALA 40 HA ALA 40 2.660 10.053 2.833 306 HB1 ALA 40 HB1 ALA 40 4.331 8.237 2.751 307 HB2 ALA 40 HB2 ALA 40 3.193 8.034 4.107 308 HB3 ALA 40 HB3 ALA 40 2.992 7.065 2.643 309 HA PRO 41 HA PRO 41 2.039 9.718 -1.714 310 HB2 PRO 41 HB2 PRO 41 2.409 12.423 -2.275 311 HB3 PRO 41 HB3 PRO 41 0.840 11.633 -1.959 312 HG2 PRO 41 HG2 PRO 41 2.540 13.257 -0.086 313 HG3 PRO 41 HG3 PRO 41 0.769 13.212 -0.223 314 HD2 PRO 41 HD2 PRO 41 2.168 11.862 1.732 315 HD3 PRO 41 HD3 PRO 41 0.609 11.280 1.088 316 H LEU 42 H LEU 42 3.619 10.073 -3.359 317 HA LEU 42 HA LEU 42 6.209 9.334 -2.743 318 HB2 LEU 42 HB2 LEU 42 5.310 8.926 -4.859 319 HB3 LEU 42 HB3 LEU 42 5.039 10.624 -5.224 320 HG LEU 42 HG LEU 42 7.868 9.741 -4.691 321 HD11 LEU 42 HD11 LEU 42 8.214 9.064 -7.013 322 HD12 LEU 42 HD12 LEU 42 6.492 9.280 -7.369 323 HD13 LEU 42 HD13 LEU 42 7.034 8.000 -6.245 324 HD21 LEU 42 HD21 LEU 42 7.414 12.119 -5.166 325 HD22 LEU 42 HD22 LEU 42 6.595 11.688 -6.678 326 HD23 LEU 42 HD23 LEU 42 8.336 11.410 -6.487 327 H SER 43 H SER 43 4.977 12.693 -2.882 328 HA SER 43 HA SER 43 7.431 14.026 -3.002 329 HB2 SER 43 HB2 SER 43 5.260 15.122 -1.238 330 HB3 SER 43 HB3 SER 43 6.215 15.915 -2.508 331 HG SER 43 HG SER 43 4.960 14.878 -4.054 332 H VAL 44 H VAL 44 5.757 12.539 -0.194 333 HA VAL 44 HA VAL 44 7.564 13.624 1.790 334 HB VAL 44 HB VAL 44 5.760 11.171 2.033 335 HG11 VAL 44 HG11 VAL 44 5.724 11.906 4.442 336 HG12 VAL 44 HG12 VAL 44 7.348 11.449 3.884 337 HG13 VAL 44 HG13 VAL 44 6.903 13.158 4.028 338 HG21 VAL 44 HG21 VAL 44 5.040 14.103 2.469 339 HG22 VAL 44 HG22 VAL 44 4.351 13.011 1.245 340 HG23 VAL 44 HG23 VAL 44 4.043 12.715 2.957 341 H LEU 45 H LEU 45 7.208 10.559 0.071 342 HA LEU 45 HA LEU 45 9.330 9.078 1.236 343 HB2 LEU 45 HB2 LEU 45 8.082 9.045 -1.525 344 HB3 LEU 45 HB3 LEU 45 9.310 7.921 -1.085 345 HG LEU 45 HG LEU 45 6.778 7.335 -0.978 346 HD11 LEU 45 HD11 LEU 45 8.535 5.754 -0.446 347 HD12 LEU 45 HD12 LEU 45 7.273 5.609 0.788 348 HD13 LEU 45 HD13 LEU 45 8.753 6.488 1.178 349 HD21 LEU 45 HD21 LEU 45 6.038 8.993 0.737 350 HD22 LEU 45 HD22 LEU 45 7.154 8.247 1.928 351 HD23 LEU 45 HD23 LEU 45 5.788 7.339 1.257 352 H GLU 46 H GLU 46 9.373 11.410 -1.495 353 HA GLU 46 HA GLU 46 12.146 10.982 -2.162 354 HB2 GLU 46 HB2 GLU 46 9.916 12.919 -2.944 355 HB3 GLU 46 HB3 GLU 46 11.575 13.224 -3.356 356 HG2 GLU 46 HG2 GLU 46 11.463 10.672 -4.212 357 HG3 GLU 46 HG3 GLU 46 9.779 11.084 -4.392 358 H GLN 47 H GLN 47 10.297 13.610 -0.458 359 HA GLN 47 HA GLN 47 12.576 15.226 0.040 360 HB2 GLN 47 HB2 GLN 47 9.828 14.930 1.340 361 HB3 GLN 47 HB3 GLN 47 11.011 16.031 1.996 362 HG2 GLN 47 HG2 GLN 47 9.994 16.167 -0.869 363 HG3 GLN 47 HG3 GLN 47 9.432 17.168 0.471 364 HE21 GLN 47 HE21 GLN 47 11.507 17.165 -2.118 365 HE22 GLN 47 HE22 GLN 47 12.753 18.254 -1.564 366 H SER 48 H SER 48 11.133 12.559 1.938 367 HA SER 48 HA SER 48 13.554 12.651 3.708 368 HB2 SER 48 HB2 SER 48 10.622 12.468 4.519 369 HB3 SER 48 HB3 SER 48 11.989 12.234 5.620 370 HG SER 48 HG SER 48 12.522 14.277 5.477 371 H GLY 49 H GLY 49 10.550 10.639 3.338 372 HA2 GLY 49 HA2 GLY 49 11.196 8.403 2.182 373 HA3 GLY 49 HA3 GLY 49 12.315 8.284 3.545 374 H LEU 50 H LEU 50 11.319 6.417 3.971 375 HA LEU 50 HA LEU 50 8.649 6.015 4.797 376 HB2 LEU 50 HB2 LEU 50 10.273 4.419 3.723 377 HB3 LEU 50 HB3 LEU 50 11.185 4.371 5.212 378 HG LEU 50 HG LEU 50 9.826 2.414 4.913 379 HD11 LEU 50 HD11 LEU 50 10.168 3.422 7.235 380 HD12 LEU 50 HD12 LEU 50 8.968 2.165 6.981 381 HD13 LEU 50 HD13 LEU 50 8.427 3.845 7.132 382 HD21 LEU 50 HD21 LEU 50 7.385 4.236 4.846 383 HD22 LEU 50 HD22 LEU 50 7.355 2.484 5.004 384 HD23 LEU 50 HD23 LEU 50 8.011 3.225 3.533 385 HA PRO 51 HA PRO 51 9.576 7.664 8.958 386 HB2 PRO 51 HB2 PRO 51 7.048 7.428 10.023 387 HB3 PRO 51 HB3 PRO 51 7.513 8.721 8.866 388 HG2 PRO 51 HG2 PRO 51 6.072 6.106 8.375 389 HG3 PRO 51 HG3 PRO 51 5.666 7.724 7.710 390 HD2 PRO 51 HD2 PRO 51 7.071 5.806 6.337 391 HD3 PRO 51 HD3 PRO 51 7.361 7.546 6.081 392 H ALA 52 H ALA 52 9.587 6.994 11.147 393 HA ALA 52 HA ALA 52 10.051 4.300 11.734 394 HB1 ALA 52 HB1 ALA 52 9.947 5.008 14.099 395 HB2 ALA 52 HB2 ALA 52 10.838 6.194 13.127 396 HB3 ALA 52 HB3 ALA 52 9.162 6.523 13.631 397 H LYS 53 H LYS 53 6.915 6.006 11.652 398 HA LYS 53 HA LYS 53 5.556 4.021 13.246 399 HB2 LYS 53 HB2 LYS 53 3.569 5.011 12.816 400 HB3 LYS 53 HB3 LYS 53 4.750 6.309 12.978 401 HG2 LYS 53 HG2 LYS 53 4.831 6.536 10.505 402 HG3 LYS 53 HG3 LYS 53 3.603 5.249 10.387 403 HD2 LYS 53 HD2 LYS 53 3.112 7.718 12.010 404 HD3 LYS 53 HD3 LYS 53 2.796 7.653 10.254 405 HE2 LYS 53 HE2 LYS 53 1.571 5.345 11.017 406 HE3 LYS 53 HE3 LYS 53 1.379 6.270 12.516 407 HZ1 LYS 53 HZ1 LYS 53 0.438 6.964 9.808 408 HZ2 LYS 53 HZ2 LYS 53 0.391 8.035 11.084 409 HZ3 LYS 53 HZ3 LYS 53 -0.492 6.642 11.108 410 H LEU 54 H LEU 54 6.641 3.959 9.865 411 HA LEU 54 HA LEU 54 5.007 1.461 9.558 412 HB2 LEU 54 HB2 LEU 54 5.942 3.236 7.276 413 HB3 LEU 54 HB3 LEU 54 4.738 1.963 7.200 414 HG LEU 54 HG LEU 54 4.397 4.613 8.606 415 HD11 LEU 54 HD11 LEU 54 3.232 3.911 5.941 416 HD12 LEU 54 HD12 LEU 54 4.704 4.889 6.188 417 HD13 LEU 54 HD13 LEU 54 3.159 5.455 6.813 418 HD21 LEU 54 HD21 LEU 54 2.904 2.733 9.448 419 HD22 LEU 54 HD22 LEU 54 2.236 2.621 7.804 420 HD23 LEU 54 HD23 LEU 54 2.040 4.100 8.763 421 H ARG 55 H ARG 55 7.751 1.873 10.577 422 HA ARG 55 HA ARG 55 9.506 0.773 8.513 423 HB2 ARG 55 HB2 ARG 55 11.228 1.132 10.071 424 HB3 ARG 55 HB3 ARG 55 10.097 2.444 10.328 425 HG2 ARG 55 HG2 ARG 55 9.991 1.866 12.528 426 HG3 ARG 55 HG3 ARG 55 9.168 0.364 12.041 427 HD2 ARG 55 HD2 ARG 55 11.646 -0.467 11.579 428 HD3 ARG 55 HD3 ARG 55 12.109 0.903 12.570 429 HE ARG 55 HE ARG 55 10.250 -0.310 14.146 430 HH11 ARG 55 HH11 ARG 55 13.111 -1.619 12.456 431 HH12 ARG 55 HH12 ARG 55 13.081 -3.111 13.368 432 HH21 ARG 55 HH21 ARG 55 10.473 -2.106 15.524 433 HH22 ARG 55 HH22 ARG 55 11.587 -3.380 15.077 434 H HIS 56 H HIS 56 7.206 -0.852 9.781 435 HA HIS 56 HA HIS 56 8.061 -3.057 11.204 436 HB2 HIS 56 HB2 HIS 56 5.687 -2.354 10.073 437 HB3 HIS 56 HB3 HIS 56 6.124 -3.695 9.022 438 HD1 HIS 56 HD1 HIS 56 6.123 -6.224 10.329 439 HD2 HIS 56 HD2 HIS 56 5.115 -2.797 12.581 440 HE1 HIS 56 HE1 HIS 56 5.164 -7.046 12.495 441 H GLU 57 H GLU 57 8.619 -5.173 10.751 442 HA GLU 57 HA GLU 57 10.799 -5.656 9.172 443 HB2 GLU 57 HB2 GLU 57 9.637 -6.931 11.141 444 HB3 GLU 57 HB3 GLU 57 8.705 -7.737 9.895 445 HG2 GLU 57 HG2 GLU 57 10.486 -9.176 10.479 446 HG3 GLU 57 HG3 GLU 57 10.869 -8.554 8.898 447 H GLN 58 H GLN 58 7.518 -5.620 8.038 448 HA GLN 58 HA GLN 58 8.284 -6.498 5.324 449 HB2 GLN 58 HB2 GLN 58 6.053 -7.570 7.133 450 HB3 GLN 58 HB3 GLN 58 5.940 -7.648 5.387 451 HG2 GLN 58 HG2 GLN 58 7.954 -9.069 5.277 452 HG3 GLN 58 HG3 GLN 58 8.187 -8.911 7.023 453 HE21 GLN 58 HE21 GLN 58 5.676 -10.029 4.628 454 HE22 GLN 58 HE22 GLN 58 5.158 -11.371 5.640 455 H ILE 59 H ILE 59 7.472 -5.006 3.888 456 HA ILE 59 HA ILE 59 5.061 -3.640 4.642 457 HB ILE 59 HB ILE 59 5.687 -1.627 4.647 458 HG12 ILE 59 HG12 ILE 59 8.424 -1.503 3.568 459 HG13 ILE 59 HG13 ILE 59 7.179 -1.887 2.366 460 HG21 ILE 59 HG21 ILE 59 7.734 -1.071 5.931 461 HG22 ILE 59 HG22 ILE 59 6.830 -2.428 6.605 462 HG23 ILE 59 HG23 ILE 59 8.320 -2.708 5.667 463 HD11 ILE 59 HD11 ILE 59 5.913 0.052 2.997 464 HD12 ILE 59 HD12 ILE 59 7.051 0.435 4.304 465 HD13 ILE 59 HD13 ILE 59 7.574 0.557 2.618 466 H ILE 60 H ILE 60 4.365 -2.319 2.679 467 HA ILE 60 HA ILE 60 4.906 -3.654 0.115 468 HB ILE 60 HB ILE 60 2.132 -3.514 1.381 469 HG12 ILE 60 HG12 ILE 60 4.022 -5.851 1.133 470 HG13 ILE 60 HG13 ILE 60 3.233 -5.229 2.579 471 HG21 ILE 60 HG21 ILE 60 1.281 -4.761 -0.508 472 HG22 ILE 60 HG22 ILE 60 2.111 -3.419 -1.186 473 HG23 ILE 60 HG23 ILE 60 2.903 -5.007 -1.171 474 HD11 ILE 60 HD11 ILE 60 2.342 -7.396 1.843 475 HD12 ILE 60 HD12 ILE 60 1.081 -6.149 1.832 476 HD13 ILE 60 HD13 ILE 60 1.859 -6.697 0.311 477 H PHE 61 H PHE 61 3.724 -2.443 -1.604 478 HA PHE 61 HA PHE 61 3.158 0.436 -1.038 479 HB2 PHE 61 HB2 PHE 61 5.284 -0.795 -2.805 480 HB3 PHE 61 HB3 PHE 61 4.506 0.693 -3.327 481 HD1 PHE 61 HD1 PHE 61 4.877 2.815 -2.122 482 HD2 PHE 61 HD2 PHE 61 6.653 -0.833 -0.759 483 HE1 PHE 61 HE1 PHE 61 6.467 4.106 -0.721 484 HE2 PHE 61 HE2 PHE 61 8.335 0.445 0.525 485 HZ PHE 61 HZ PHE 61 8.239 2.931 0.575 486 H HIS 62 H HIS 62 1.743 1.440 -2.618 487 HA HIS 62 HA HIS 62 0.735 -0.062 -4.879 488 HB2 HIS 62 HB2 HIS 62 -1.563 -0.059 -4.218 489 HB3 HIS 62 HB3 HIS 62 -0.705 -0.874 -2.924 490 HD1 HIS 62 HD1 HIS 62 -3.236 1.882 -3.354 491 HD2 HIS 62 HD2 HIS 62 0.029 1.021 -0.810 492 HE1 HIS 62 HE1 HIS 62 -3.540 3.256 -1.239 493 H CYS 63 H CYS 63 -0.778 1.356 -6.047 494 HA CYS 63 HA CYS 63 -0.730 4.235 -5.337 495 HB2 CYS 63 HB2 CYS 63 -0.292 4.728 -7.790 496 HB3 CYS 63 HB3 CYS 63 1.096 4.188 -6.838 497 HG CYS 63 HG CYS 63 1.057 3.315 -9.372 498 H GLN 64 H GLN 64 -1.816 2.015 -7.939 499 HA GLN 64 HA GLN 64 -4.579 2.089 -7.175 500 HB2 GLN 64 HB2 GLN 64 -3.887 4.377 -8.481 501 HB3 GLN 64 HB3 GLN 64 -4.104 3.343 -9.884 502 HG2 GLN 64 HG2 GLN 64 -6.432 2.809 -9.028 503 HG3 GLN 64 HG3 GLN 64 -6.140 3.900 -7.667 504 HE21 GLN 64 HE21 GLN 64 -6.005 6.275 -8.112 505 HE22 GLN 64 HE22 GLN 64 -6.323 6.886 -9.719 506 H ALA 65 H ALA 65 -5.625 1.278 -9.723 507 HA ALA 65 HA ALA 65 -4.378 -1.342 -10.033 508 HB1 ALA 65 HB1 ALA 65 -6.850 -1.057 -9.928 509 HB2 ALA 65 HB2 ALA 65 -6.785 -0.087 -11.419 510 HB3 ALA 65 HB3 ALA 65 -6.315 -1.800 -11.449 511 H GLY 66 H GLY 66 -2.487 0.328 -10.646 512 HA2 GLY 66 HA2 GLY 66 -2.265 0.137 -13.638 513 HA3 GLY 66 HA3 GLY 66 -1.733 1.564 -12.734 514 H LYS 67 H LYS 67 -0.701 -1.190 -14.109 515 HA LYS 67 HA LYS 67 1.298 -2.177 -12.290 516 HB2 LYS 67 HB2 LYS 67 2.159 -3.414 -14.293 517 HB3 LYS 67 HB3 LYS 67 0.477 -3.695 -13.874 518 HG2 LYS 67 HG2 LYS 67 -0.243 -2.146 -15.668 519 HG3 LYS 67 HG3 LYS 67 1.448 -1.879 -16.128 520 HD2 LYS 67 HD2 LYS 67 1.623 -4.324 -16.681 521 HD3 LYS 67 HD3 LYS 67 -0.087 -4.507 -16.227 522 HE2 LYS 67 HE2 LYS 67 -0.527 -2.551 -17.885 523 HE3 LYS 67 HE3 LYS 67 1.091 -2.891 -18.521 524 HZ1 LYS 67 HZ1 LYS 67 0.277 -5.174 -19.012 525 HZ2 LYS 67 HZ2 LYS 67 -0.652 -4.043 -19.741 526 HZ3 LYS 67 HZ3 LYS 67 -1.194 -4.776 -18.403 527 H ARG 68 H ARG 68 1.802 0.191 -11.867 528 HA ARG 68 HA ARG 68 4.250 1.056 -13.378 529 HB2 ARG 68 HB2 ARG 68 2.188 2.687 -11.843 530 HB3 ARG 68 HB3 ARG 68 3.652 3.338 -12.586 531 HG2 ARG 68 HG2 ARG 68 2.825 2.782 -14.830 532 HG3 ARG 68 HG3 ARG 68 1.389 2.001 -14.135 533 HD2 ARG 68 HD2 ARG 68 0.782 4.104 -13.021 534 HD3 ARG 68 HD3 ARG 68 2.162 4.926 -13.765 535 HE ARG 68 HE ARG 68 1.048 4.147 -15.979 536 HH11 ARG 68 HH11 ARG 68 -0.759 5.204 -13.064 537 HH12 ARG 68 HH12 ARG 68 -2.078 5.822 -13.932 538 HH21 ARG 68 HH21 ARG 68 -0.809 5.003 -17.165 539 HH22 ARG 68 HH22 ARG 68 -2.057 5.814 -16.293 540 H THR 69 H THR 69 2.937 -0.090 -10.326 541 HA THR 69 HA THR 69 4.570 1.310 -8.547 542 HB THR 69 HB THR 69 3.956 -1.463 -7.771 543 HG1 THR 69 HG1 THR 69 2.248 -1.516 -8.997 544 HG21 THR 69 HG21 THR 69 2.812 -0.376 -5.927 545 HG22 THR 69 HG22 THR 69 2.854 1.194 -6.762 546 HG23 THR 69 HG23 THR 69 4.363 0.436 -6.195 547 H SER 70 H SER 70 5.036 -1.960 -10.065 548 HA SER 70 HA SER 70 7.576 -2.400 -9.032 549 HB2 SER 70 HB2 SER 70 5.957 -3.954 -10.401 550 HB3 SER 70 HB3 SER 70 6.896 -3.399 -11.799 551 HG SER 70 HG SER 70 8.760 -4.188 -10.808 552 H ASN 71 H ASN 71 6.712 -0.694 -12.015 553 HA ASN 71 HA ASN 71 9.228 -0.276 -13.170 554 HB2 ASN 71 HB2 ASN 71 6.566 1.064 -13.292 555 HB3 ASN 71 HB3 ASN 71 7.919 2.080 -13.732 556 HD21 ASN 71 HD21 ASN 71 6.814 -1.308 -14.410 557 HD22 ASN 71 HD22 ASN 71 7.306 -1.239 -16.098 558 H ASN 72 H ASN 72 8.181 1.125 -10.164 559 HA ASN 72 HA ASN 72 10.551 2.964 -10.242 560 HB2 ASN 72 HB2 ASN 72 7.883 3.522 -8.914 561 HB3 ASN 72 HB3 ASN 72 9.276 4.584 -8.953 562 HD21 ASN 72 HD21 ASN 72 9.694 3.917 -11.992 563 HD22 ASN 72 HD22 ASN 72 8.516 4.934 -12.752 564 H ALA 73 H ALA 73 9.342 0.236 -8.917 565 HA ALA 73 HA ALA 73 9.407 0.618 -6.150 566 HB1 ALA 73 HB1 ALA 73 8.279 -1.230 -7.251 567 HB2 ALA 73 HB2 ALA 73 9.849 -1.900 -7.773 568 HB3 ALA 73 HB3 ALA 73 9.425 -1.801 -6.048 569 H ASP 74 H ASP 74 12.233 0.577 -8.202 570 HA ASP 74 HA ASP 74 13.931 -0.745 -6.261 571 HB2 ASP 74 HB2 ASP 74 14.632 1.160 -8.515 572 HB3 ASP 74 HB3 ASP 74 15.822 0.554 -7.373 573 H LYS 75 H LYS 75 13.092 2.718 -6.735 574 HA LYS 75 HA LYS 75 14.679 3.627 -4.552 575 HB2 LYS 75 HB2 LYS 75 12.679 4.713 -6.402 576 HB3 LYS 75 HB3 LYS 75 12.379 5.317 -4.791 577 HG2 LYS 75 HG2 LYS 75 15.104 5.435 -6.155 578 HG3 LYS 75 HG3 LYS 75 13.881 6.722 -6.194 579 HD2 LYS 75 HD2 LYS 75 13.924 6.584 -3.628 580 HD3 LYS 75 HD3 LYS 75 15.423 5.660 -3.815 581 HE2 LYS 75 HE2 LYS 75 16.451 7.547 -5.047 582 HE3 LYS 75 HE3 LYS 75 14.907 8.402 -5.078 583 HZ1 LYS 75 HZ1 LYS 75 15.066 8.573 -2.617 584 HZ2 LYS 75 HZ2 LYS 75 16.220 9.367 -3.446 585 HZ3 LYS 75 HZ3 LYS 75 16.621 7.978 -2.703 586 H LEU 76 H LEU 76 11.296 2.607 -4.827 587 HA LEU 76 HA LEU 76 10.453 3.114 -2.181 588 HB2 LEU 76 HB2 LEU 76 9.522 0.753 -3.853 589 HB3 LEU 76 HB3 LEU 76 8.662 1.536 -2.540 590 HG LEU 76 HG LEU 76 9.298 2.769 -5.238 591 HD11 LEU 76 HD11 LEU 76 6.594 2.028 -4.071 592 HD12 LEU 76 HD12 LEU 76 7.473 1.027 -5.232 593 HD13 LEU 76 HD13 LEU 76 6.929 2.642 -5.703 594 HD21 LEU 76 HD21 LEU 76 9.321 4.552 -3.597 595 HD22 LEU 76 HD22 LEU 76 7.769 3.993 -2.930 596 HD23 LEU 76 HD23 LEU 76 7.854 4.644 -4.584 597 H ALA 77 H ALA 77 12.115 0.245 -3.486 598 HA ALA 77 HA ALA 77 12.091 -1.305 -1.073 599 HB1 ALA 77 HB1 ALA 77 13.978 -2.547 -2.125 600 HB2 ALA 77 HB2 ALA 77 12.597 -2.374 -3.206 601 HB3 ALA 77 HB3 ALA 77 14.029 -1.355 -3.441 602 H ALA 78 H ALA 78 14.659 0.696 -2.593 603 HA ALA 78 HA ALA 78 16.563 0.574 -0.570 604 HB1 ALA 78 HB1 ALA 78 15.926 2.970 -2.358 605 HB2 ALA 78 HB2 ALA 78 17.478 2.600 -1.595 606 HB3 ALA 78 HB3 ALA 78 16.847 1.539 -2.867 607 H ILE 79 H ILE 79 13.786 2.702 -0.839 608 HA ILE 79 HA ILE 79 14.293 4.513 1.292 609 HB ILE 79 HB ILE 79 12.040 3.735 -0.503 610 HG12 ILE 79 HG12 ILE 79 13.259 6.438 0.194 611 HG13 ILE 79 HG13 ILE 79 13.877 5.389 -1.081 612 HG21 ILE 79 HG21 ILE 79 10.471 5.243 0.463 613 HG22 ILE 79 HG22 ILE 79 10.783 3.907 1.516 614 HG23 ILE 79 HG23 ILE 79 11.522 5.507 1.874 615 HD11 ILE 79 HD11 ILE 79 11.612 5.479 -2.188 616 HD12 ILE 79 HD12 ILE 79 11.141 6.699 -0.975 617 HD13 ILE 79 HD13 ILE 79 12.446 7.047 -2.087 618 H ALA 80 H ALA 80 12.358 1.430 1.163 619 HA ALA 80 HA ALA 80 11.813 1.729 4.078 620 HB1 ALA 80 HB1 ALA 80 9.980 0.198 3.636 621 HB2 ALA 80 HB2 ALA 80 9.896 1.661 2.642 622 HB3 ALA 80 HB3 ALA 80 10.443 0.155 1.908 623 H ALA 81 H ALA 81 14.186 0.215 2.372 624 HA ALA 81 HA ALA 81 14.223 -2.421 3.460 625 HB1 ALA 81 HB1 ALA 81 15.647 -1.774 1.578 626 HB2 ALA 81 HB2 ALA 81 16.374 -0.446 2.510 627 HB3 ALA 81 HB3 ALA 81 16.753 -2.113 2.914 628 HA PRO 82 HA PRO 82 16.546 -3.616 4.337 629 HB2 PRO 82 HB2 PRO 82 16.994 -5.204 6.460 630 HB3 PRO 82 HB3 PRO 82 18.061 -3.825 6.064 631 HG2 PRO 82 HG2 PRO 82 15.780 -3.882 8.058 632 HG3 PRO 82 HG3 PRO 82 17.471 -3.328 8.328 633 HD2 PRO 82 HD2 PRO 82 15.464 -1.581 7.709 634 HD3 PRO 82 HD3 PRO 82 17.114 -1.356 7.068 635 H ALA 83 H ALA 83 13.584 -3.074 5.986 636 HA ALA 83 HA ALA 83 12.501 -5.655 6.219 637 HB1 ALA 83 HB1 ALA 83 10.320 -4.446 6.022 638 HB2 ALA 83 HB2 ALA 83 11.444 -3.610 7.118 639 HB3 ALA 83 HB3 ALA 83 11.175 -3.009 5.465 640 H GLU 84 H GLU 84 10.918 -6.673 4.849 641 HA GLU 84 HA GLU 84 11.753 -6.863 2.039 642 HB2 GLU 84 HB2 GLU 84 9.538 -8.230 3.635 643 HB3 GLU 84 HB3 GLU 84 9.890 -8.513 1.919 644 HG2 GLU 84 HG2 GLU 84 12.117 -9.322 2.461 645 HG3 GLU 84 HG3 GLU 84 11.809 -9.098 4.178 646 H ILE 85 H ILE 85 10.783 -5.706 0.372 647 HA ILE 85 HA ILE 85 8.184 -4.352 0.932 648 HB ILE 85 HB ILE 85 10.570 -3.569 -0.754 649 HG12 ILE 85 HG12 ILE 85 10.491 -1.512 0.381 650 HG13 ILE 85 HG13 ILE 85 8.817 -1.712 0.874 651 HG21 ILE 85 HG21 ILE 85 9.180 -1.694 -1.717 652 HG22 ILE 85 HG22 ILE 85 8.704 -3.279 -2.330 653 HG23 ILE 85 HG23 ILE 85 7.735 -2.539 -1.090 654 HD11 ILE 85 HD11 ILE 85 10.483 -1.908 2.753 655 HD12 ILE 85 HD12 ILE 85 9.372 -3.260 2.583 656 HD13 ILE 85 HD13 ILE 85 11.067 -3.366 1.978 657 H PHE 86 H PHE 86 6.476 -4.684 -0.322 658 HA PHE 86 HA PHE 86 6.775 -6.194 -2.827 659 HB2 PHE 86 HB2 PHE 86 4.650 -6.785 -0.714 660 HB3 PHE 86 HB3 PHE 86 4.838 -7.588 -2.249 661 HD1 PHE 86 HD1 PHE 86 6.518 -7.127 1.062 662 HD2 PHE 86 HD2 PHE 86 6.115 -9.513 -2.507 663 HE1 PHE 86 HE1 PHE 86 7.756 -8.957 2.140 664 HE2 PHE 86 HE2 PHE 86 7.460 -11.316 -1.449 665 HZ PHE 86 HZ PHE 86 8.262 -11.054 0.878 666 H LEU 87 H LEU 87 4.500 -6.397 -3.887 667 HA LEU 87 HA LEU 87 3.331 -3.658 -3.988 668 HB2 LEU 87 HB2 LEU 87 3.987 -5.378 -6.395 669 HB3 LEU 87 HB3 LEU 87 3.454 -3.703 -6.398 670 HG LEU 87 HG LEU 87 6.165 -4.654 -5.316 671 HD11 LEU 87 HD11 LEU 87 6.003 -5.225 -7.655 672 HD12 LEU 87 HD12 LEU 87 7.106 -3.873 -7.428 673 HD13 LEU 87 HD13 LEU 87 5.455 -3.587 -8.053 674 HD21 LEU 87 HD21 LEU 87 5.370 -1.853 -6.198 675 HD22 LEU 87 HD22 LEU 87 6.859 -2.370 -5.396 676 HD23 LEU 87 HD23 LEU 87 5.330 -2.392 -4.512 677 H LEU 88 H LEU 88 1.207 -3.907 -3.506 678 HA LEU 88 HA LEU 88 -0.228 -6.368 -3.522 679 HB2 LEU 88 HB2 LEU 88 -0.685 -4.122 -2.299 680 HB3 LEU 88 HB3 LEU 88 -1.438 -3.585 -3.790 681 HG LEU 88 HG LEU 88 -2.346 -5.839 -1.951 682 HD11 LEU 88 HD11 LEU 88 -4.274 -4.429 -1.568 683 HD12 LEU 88 HD12 LEU 88 -3.641 -3.222 -2.710 684 HD13 LEU 88 HD13 LEU 88 -2.784 -3.556 -1.184 685 HD21 LEU 88 HD21 LEU 88 -3.494 -5.116 -4.631 686 HD22 LEU 88 HD22 LEU 88 -4.410 -5.946 -3.352 687 HD23 LEU 88 HD23 LEU 88 -2.992 -6.717 -4.026 688 H GLU 89 H GLU 89 -1.303 -7.410 -5.225 689 HA GLU 89 HA GLU 89 -0.818 -6.889 -7.916 690 HB2 GLU 89 HB2 GLU 89 -1.600 -9.058 -7.246 691 HB3 GLU 89 HB3 GLU 89 -3.084 -8.372 -6.555 692 HG2 GLU 89 HG2 GLU 89 -3.946 -7.779 -8.754 693 HG3 GLU 89 HG3 GLU 89 -2.393 -8.135 -9.512 694 H ASP 90 H ASP 90 -1.403 -5.193 -9.111 695 HA ASP 90 HA ASP 90 -2.426 -3.262 -9.743 696 HB2 ASP 90 HB2 ASP 90 -4.644 -5.307 -9.918 697 HB3 ASP 90 HB3 ASP 90 -4.698 -3.707 -10.672 698 H GLY 91 H GLY 91 -2.090 -3.126 -7.074 699 HA2 GLY 91 HA2 GLY 91 -2.730 -2.005 -5.201 700 HA3 GLY 91 HA3 GLY 91 -3.398 -0.873 -6.395 701 H ILE 92 H ILE 92 -5.498 -0.441 -6.220 702 HA ILE 92 HA ILE 92 -7.141 -1.590 -4.219 703 HB ILE 92 HB ILE 92 -7.322 0.497 -6.351 704 HG12 ILE 92 HG12 ILE 92 -6.592 0.831 -3.981 705 HG13 ILE 92 HG13 ILE 92 -7.880 1.912 -4.523 706 HG21 ILE 92 HG21 ILE 92 -9.715 0.972 -5.970 707 HG22 ILE 92 HG22 ILE 92 -9.411 -0.474 -6.943 708 HG23 ILE 92 HG23 ILE 92 -9.907 -0.634 -5.242 709 HD11 ILE 92 HD11 ILE 92 -9.539 0.656 -3.308 710 HD12 ILE 92 HD12 ILE 92 -8.352 -0.584 -2.830 711 HD13 ILE 92 HD13 ILE 92 -8.192 1.049 -2.221 712 H ASP 93 H ASP 93 -6.856 -2.375 -7.694 713 HA ASP 93 HA ASP 93 -9.345 -3.780 -7.778 714 HB2 ASP 93 HB2 ASP 93 -8.092 -3.032 -9.798 715 HB3 ASP 93 HB3 ASP 93 -6.906 -4.322 -9.498 716 H GLY 94 H GLY 94 -6.057 -4.725 -6.713 717 HA2 GLY 94 HA2 GLY 94 -6.518 -7.513 -6.494 718 HA3 GLY 94 HA3 GLY 94 -5.306 -6.579 -5.618 719 H TRP 95 H TRP 95 -6.676 -4.861 -4.025 720 HA TRP 95 HA TRP 95 -7.418 -6.395 -1.802 721 HB2 TRP 95 HB2 TRP 95 -6.957 -4.068 -1.596 722 HB3 TRP 95 HB3 TRP 95 -8.427 -3.643 -2.467 723 HD1 TRP 95 HD1 TRP 95 -10.054 -2.730 -0.832 724 HE1 TRP 95 HE1 TRP 95 -10.893 -3.275 1.581 725 HE3 TRP 95 HE3 TRP 95 -7.156 -6.839 0.254 726 HZ2 TRP 95 HZ2 TRP 95 -10.053 -4.860 3.777 727 HZ3 TRP 95 HZ3 TRP 95 -7.123 -7.749 2.543 728 HH2 TRP 95 HH2 TRP 95 -8.542 -6.741 4.331 729 H LYS 96 H LYS 96 -9.488 -4.843 -4.309 730 HA LYS 96 HA LYS 96 -12.020 -5.824 -3.386 731 HB2 LYS 96 HB2 LYS 96 -11.703 -3.810 -4.817 732 HB3 LYS 96 HB3 LYS 96 -11.112 -4.829 -6.124 733 HG2 LYS 96 HG2 LYS 96 -13.319 -5.978 -6.215 734 HG3 LYS 96 HG3 LYS 96 -13.921 -4.930 -4.911 735 HD2 LYS 96 HD2 LYS 96 -13.688 -2.966 -6.330 736 HD3 LYS 96 HD3 LYS 96 -12.786 -3.908 -7.538 737 HE2 LYS 96 HE2 LYS 96 -14.804 -5.382 -7.825 738 HE3 LYS 96 HE3 LYS 96 -15.721 -4.272 -6.791 739 HZ1 LYS 96 HZ1 LYS 96 -15.269 -2.524 -8.427 740 HZ2 LYS 96 HZ2 LYS 96 -15.984 -3.810 -9.169 741 HZ3 LYS 96 HZ3 LYS 96 -14.377 -3.555 -9.328 742 H LYS 97 H LYS 97 -9.579 -7.269 -5.571 743 HA LYS 97 HA LYS 97 -11.145 -9.239 -6.811 744 HB2 LYS 97 HB2 LYS 97 -8.497 -8.534 -6.827 745 HB3 LYS 97 HB3 LYS 97 -8.387 -9.991 -5.891 746 HG2 LYS 97 HG2 LYS 97 -9.944 -10.305 -8.415 747 HG3 LYS 97 HG3 LYS 97 -8.318 -9.661 -8.653 748 HD2 LYS 97 HD2 LYS 97 -7.489 -11.647 -7.202 749 HD3 LYS 97 HD3 LYS 97 -9.097 -12.304 -7.423 750 HE2 LYS 97 HE2 LYS 97 -7.630 -13.291 -9.026 751 HE3 LYS 97 HE3 LYS 97 -8.730 -12.244 -9.909 752 HZ1 LYS 97 HZ1 LYS 97 -6.265 -12.171 -10.459 753 HZ2 LYS 97 HZ2 LYS 97 -6.021 -11.272 -9.118 754 HZ3 LYS 97 HZ3 LYS 97 -7.009 -10.730 -10.312 755 H ALA 98 H ALA 98 -9.446 -9.278 -3.669 756 HA ALA 98 HA ALA 98 -10.278 -11.877 -2.855 757 HB1 ALA 98 HB1 ALA 98 -9.467 -9.483 -1.143 758 HB2 ALA 98 HB2 ALA 98 -9.483 -11.180 -0.631 759 HB3 ALA 98 HB3 ALA 98 -8.350 -10.652 -1.888 760 H GLY 99 H GLY 99 -12.302 -9.227 -3.327 761 HA2 GLY 99 HA2 GLY 99 -14.540 -9.009 -2.948 762 HA3 GLY 99 HA3 GLY 99 -14.495 -10.439 -1.913 763 H LEU 100 H LEU 100 -12.158 -8.060 -0.937 764 HA LEU 100 HA LEU 100 -13.819 -7.437 1.404 765 HB2 LEU 100 HB2 LEU 100 -10.872 -7.144 0.752 766 HB3 LEU 100 HB3 LEU 100 -11.598 -6.645 2.281 767 HG LEU 100 HG LEU 100 -11.852 -9.508 1.274 768 HD11 LEU 100 HD11 LEU 100 -9.937 -10.174 2.496 769 HD12 LEU 100 HD12 LEU 100 -9.737 -8.562 3.196 770 HD13 LEU 100 HD13 LEU 100 -9.427 -8.815 1.465 771 HD21 LEU 100 HD21 LEU 100 -12.050 -8.177 4.013 772 HD22 LEU 100 HD22 LEU 100 -12.139 -9.925 3.739 773 HD23 LEU 100 HD23 LEU 100 -13.387 -8.879 3.066 774 HA PRO 101 HA PRO 101 -14.197 -3.238 -0.176 775 HB2 PRO 101 HB2 PRO 101 -15.533 -2.054 1.855 776 HB3 PRO 101 HB3 PRO 101 -16.307 -3.334 0.892 777 HG2 PRO 101 HG2 PRO 101 -14.957 -3.582 3.603 778 HG3 PRO 101 HG3 PRO 101 -16.522 -4.267 3.076 779 HD2 PRO 101 HD2 PRO 101 -14.120 -5.675 3.074 780 HD3 PRO 101 HD3 PRO 101 -15.480 -6.034 1.965 781 H VAL 102 H VAL 102 -13.266 -1.137 0.202 782 HA VAL 102 HA VAL 102 -10.910 -1.027 1.949 783 HB VAL 102 HB VAL 102 -10.678 1.222 0.959 784 HG11 VAL 102 HG11 VAL 102 -10.483 0.735 -1.368 785 HG12 VAL 102 HG12 VAL 102 -9.830 -0.586 -0.390 786 HG13 VAL 102 HG13 VAL 102 -11.407 -0.762 -1.204 787 HG21 VAL 102 HG21 VAL 102 -12.716 2.235 0.783 788 HG22 VAL 102 HG22 VAL 102 -12.489 1.773 -0.920 789 HG23 VAL 102 HG23 VAL 102 -13.543 0.830 0.098 790 H ALA 103 H ALA 103 -10.769 1.312 3.145 791 HA ALA 103 HA ALA 103 -12.921 1.292 5.139 792 HB1 ALA 103 HB1 ALA 103 -10.657 3.300 5.001 793 HB2 ALA 103 HB2 ALA 103 -11.596 2.782 6.391 794 HB3 ALA 103 HB3 ALA 103 -10.440 1.656 5.636 795 H VAL 104 H VAL 104 -14.518 1.817 3.224 796 HA VAL 104 HA VAL 104 -14.549 4.635 2.363 797 HB VAL 104 HB VAL 104 -16.978 3.807 1.642 798 HG11 VAL 104 HG11 VAL 104 -14.356 3.551 0.327 799 HG12 VAL 104 HG12 VAL 104 -15.664 2.637 -0.425 800 HG13 VAL 104 HG13 VAL 104 -15.824 4.379 -0.178 801 HG21 VAL 104 HG21 VAL 104 -16.802 1.607 2.828 802 HG22 VAL 104 HG22 VAL 104 -17.204 1.491 1.109 803 HG23 VAL 104 HG23 VAL 104 -15.559 1.120 1.646 804 H ASN 105 H ASN 105 -15.720 6.274 3.390 805 HA ASN 105 HA ASN 105 -16.721 5.789 6.047 806 HB2 ASN 105 HB2 ASN 105 -17.030 8.197 4.209 807 HB3 ASN 105 HB3 ASN 105 -17.644 8.108 5.857 808 HD21 ASN 105 HD21 ASN 105 -14.686 8.212 3.931 809 HD22 ASN 105 HD22 ASN 105 -13.579 8.496 5.251 810 H LYS 106 H LYS 106 -18.974 5.949 6.744 811 HA LYS 106 HA LYS 106 -21.002 5.287 4.652 812 HB2 LYS 106 HB2 LYS 106 -20.055 3.254 5.859 813 HB3 LYS 106 HB3 LYS 106 -20.584 3.955 7.368 814 HG2 LYS 106 HG2 LYS 106 -22.352 2.645 7.108 815 HG3 LYS 106 HG3 LYS 106 -22.995 3.937 6.102 816 HD2 LYS 106 HD2 LYS 106 -21.341 1.601 5.014 817 HD3 LYS 106 HD3 LYS 106 -23.095 1.528 5.181 818 HE2 LYS 106 HE2 LYS 106 -23.479 3.264 3.635 819 HE3 LYS 106 HE3 LYS 106 -21.792 3.787 3.636 820 HZ1 LYS 106 HZ1 LYS 106 -22.541 1.114 2.676 821 HZ2 LYS 106 HZ2 LYS 106 -21.145 1.928 2.457 822 HZ3 LYS 106 HZ3 LYS 106 -22.504 2.430 1.682 823 H SER 107 H SER 107 -20.557 6.021 8.137 824 HA SER 107 HA SER 107 -23.075 7.580 8.151 825 HB2 SER 107 HB2 SER 107 -22.412 5.806 9.912 826 HB3 SER 107 HB3 SER 107 -21.180 6.961 10.455 827 HG SER 107 HG SER 107 -24.015 7.181 10.447 828 H GLN 108 H GLN 108 -22.798 9.638 9.580 829 HA GLN 108 HA GLN 108 -20.328 11.101 9.456 830 HB2 GLN 108 HB2 GLN 108 -21.142 11.476 7.106 831 HB3 GLN 108 HB3 GLN 108 -22.663 12.118 7.746 832 HG2 GLN 108 HG2 GLN 108 -21.462 13.933 8.879 833 HG3 GLN 108 HG3 GLN 108 -19.905 13.207 8.458 834 HE21 GLN 108 HE21 GLN 108 -18.915 14.293 6.845 835 HE22 GLN 108 HE22 GLN 108 -19.672 14.978 5.415 Start of MODEL 3 1 H ALA 1 H ALA 1 13.148 -10.277 -1.424 2 HA ALA 1 HA ALA 1 10.783 -8.825 -0.422 3 HB1 ALA 1 HB1 ALA 1 12.975 -7.807 0.230 4 HB2 ALA 1 HB2 ALA 1 13.390 -7.650 -1.488 5 HB3 ALA 1 HB3 ALA 1 12.020 -6.743 -0.810 6 H LEU 2 H LEU 2 10.614 -6.878 -2.274 7 HA LEU 2 HA LEU 2 9.346 -6.446 -4.028 8 HB2 LEU 2 HB2 LEU 2 11.886 -7.432 -5.363 9 HB3 LEU 2 HB3 LEU 2 10.650 -6.445 -6.134 10 HG LEU 2 HG LEU 2 12.409 -5.637 -3.776 11 HD11 LEU 2 HD11 LEU 2 13.478 -5.522 -5.976 12 HD12 LEU 2 HD12 LEU 2 13.207 -3.903 -5.334 13 HD13 LEU 2 HD13 LEU 2 12.138 -4.538 -6.609 14 HD21 LEU 2 HD21 LEU 2 10.357 -4.626 -3.237 15 HD22 LEU 2 HD22 LEU 2 9.926 -4.343 -4.940 16 HD23 LEU 2 HD23 LEU 2 11.177 -3.370 -4.151 17 H THR 3 H THR 3 7.601 -7.789 -3.805 18 HA THR 3 HA THR 3 7.347 -9.741 -6.010 19 HB THR 3 HB THR 3 6.556 -10.210 -3.114 20 HG1 THR 3 HG1 THR 3 8.781 -10.970 -4.611 21 HG21 THR 3 HG21 THR 3 6.361 -12.030 -5.530 22 HG22 THR 3 HG22 THR 3 5.025 -11.385 -4.550 23 HG23 THR 3 HG23 THR 3 6.137 -12.550 -3.837 24 H THR 4 H THR 4 5.431 -9.593 -6.975 25 HA THR 4 HA THR 4 3.438 -7.595 -6.116 26 HB THR 4 HB THR 4 2.378 -8.331 -8.344 27 HG1 THR 4 HG1 THR 4 3.523 -10.267 -8.540 28 HG21 THR 4 HG21 THR 4 5.157 -7.087 -8.319 29 HG22 THR 4 HG22 THR 4 3.595 -6.251 -8.180 30 HG23 THR 4 HG23 THR 4 4.032 -7.041 -9.697 31 H ILE 5 H ILE 5 2.898 -8.672 -4.207 32 HA ILE 5 HA ILE 5 2.014 -11.450 -4.258 33 HB ILE 5 HB ILE 5 3.260 -10.593 -2.399 34 HG12 ILE 5 HG12 ILE 5 0.572 -11.156 -1.180 35 HG13 ILE 5 HG13 ILE 5 1.397 -12.384 -2.151 36 HG21 ILE 5 HG21 ILE 5 2.400 -8.956 -0.778 37 HG22 ILE 5 HG22 ILE 5 2.472 -8.220 -2.383 38 HG23 ILE 5 HG23 ILE 5 0.919 -8.758 -1.732 39 HD11 ILE 5 HD11 ILE 5 1.958 -12.596 0.255 40 HD12 ILE 5 HD12 ILE 5 3.385 -12.279 -0.745 41 HD13 ILE 5 HD13 ILE 5 2.679 -10.972 0.221 42 H SER 6 H SER 6 0.005 -12.224 -4.142 43 HA SER 6 HA SER 6 -2.105 -10.630 -5.276 44 HB2 SER 6 HB2 SER 6 -1.864 -13.426 -4.163 45 HB3 SER 6 HB3 SER 6 -3.433 -12.793 -4.705 46 HG SER 6 HG SER 6 -1.073 -13.252 -6.205 47 HA PRO 7 HA PRO 7 -3.938 -8.901 -1.703 48 HB2 PRO 7 HB2 PRO 7 -6.631 -8.995 -2.164 49 HB3 PRO 7 HB3 PRO 7 -5.489 -7.975 -3.096 50 HG2 PRO 7 HG2 PRO 7 -6.412 -10.808 -3.795 51 HG3 PRO 7 HG3 PRO 7 -6.548 -9.367 -4.823 52 HD2 PRO 7 HD2 PRO 7 -4.474 -10.925 -5.183 53 HD3 PRO 7 HD3 PRO 7 -4.184 -9.165 -5.049 54 H HIS 8 H HIS 8 -4.995 -12.113 -2.488 55 HA HIS 8 HA HIS 8 -6.506 -12.605 -0.075 56 HB2 HIS 8 HB2 HIS 8 -6.974 -13.886 -2.063 57 HB3 HIS 8 HB3 HIS 8 -5.309 -14.470 -2.153 58 HD1 HIS 8 HD1 HIS 8 -5.223 -16.924 -1.382 59 HD2 HIS 8 HD2 HIS 8 -7.896 -14.508 0.830 60 HE1 HIS 8 HE1 HIS 8 -6.118 -18.366 0.465 61 H ASP 9 H ASP 9 -3.119 -13.433 -1.078 62 HA ASP 9 HA ASP 9 -2.455 -14.604 1.500 63 HB2 ASP 9 HB2 ASP 9 -0.938 -13.708 -0.958 64 HB3 ASP 9 HB3 ASP 9 -0.042 -13.732 0.550 65 H ALA 10 H ALA 10 -2.100 -11.415 -0.017 66 HA ALA 10 HA ALA 10 -0.837 -10.085 2.080 67 HB1 ALA 10 HB1 ALA 10 -1.726 -8.035 0.955 68 HB2 ALA 10 HB2 ALA 10 -0.977 -9.192 -0.176 69 HB3 ALA 10 HB3 ALA 10 -2.740 -9.110 -0.050 70 H GLN 11 H GLN 11 -4.303 -10.758 1.754 71 HA GLN 11 HA GLN 11 -5.297 -8.983 3.677 72 HB2 GLN 11 HB2 GLN 11 -6.617 -10.332 2.065 73 HB3 GLN 11 HB3 GLN 11 -6.134 -11.807 2.906 74 HG2 GLN 11 HG2 GLN 11 -7.386 -11.004 4.917 75 HG3 GLN 11 HG3 GLN 11 -7.924 -9.611 3.966 76 HE21 GLN 11 HE21 GLN 11 -9.957 -10.938 4.961 77 HE22 GLN 11 HE22 GLN 11 -10.680 -11.981 3.738 78 H GLU 12 H GLU 12 -3.215 -11.860 4.202 79 HA GLU 12 HA GLU 12 -4.094 -12.020 7.004 80 HB2 GLU 12 HB2 GLU 12 -3.900 -14.094 5.676 81 HB3 GLU 12 HB3 GLU 12 -2.192 -13.749 5.349 82 HG2 GLU 12 HG2 GLU 12 -1.573 -13.891 7.564 83 HG3 GLU 12 HG3 GLU 12 -3.204 -13.622 8.184 84 H LEU 13 H LEU 13 -0.961 -11.738 5.193 85 HA LEU 13 HA LEU 13 0.595 -11.130 7.403 86 HB2 LEU 13 HB2 LEU 13 2.184 -10.110 5.770 87 HB3 LEU 13 HB3 LEU 13 1.656 -11.759 5.468 88 HG LEU 13 HG LEU 13 -0.132 -10.590 3.906 89 HD11 LEU 13 HD11 LEU 13 0.462 -8.256 4.318 90 HD12 LEU 13 HD12 LEU 13 0.829 -8.685 2.655 91 HD13 LEU 13 HD13 LEU 13 2.145 -8.586 3.833 92 HD21 LEU 13 HD21 LEU 13 1.516 -12.216 3.152 93 HD22 LEU 13 HD22 LEU 13 2.724 -10.910 2.990 94 HD23 LEU 13 HD23 LEU 13 1.249 -10.910 1.996 95 H ILE 14 H ILE 14 -1.538 -8.909 5.703 96 HA ILE 14 HA ILE 14 -0.474 -6.490 6.754 97 HB ILE 14 HB ILE 14 -2.694 -7.425 5.186 98 HG12 ILE 14 HG12 ILE 14 -2.143 -4.518 5.241 99 HG13 ILE 14 HG13 ILE 14 -0.773 -5.560 4.871 100 HG21 ILE 14 HG21 ILE 14 -4.433 -5.747 5.677 101 HG22 ILE 14 HG22 ILE 14 -4.289 -7.143 6.770 102 HG23 ILE 14 HG23 ILE 14 -3.663 -5.563 7.276 103 HD11 ILE 14 HD11 ILE 14 -1.900 -6.609 3.031 104 HD12 ILE 14 HD12 ILE 14 -3.417 -5.744 3.399 105 HD13 ILE 14 HD13 ILE 14 -1.993 -4.846 2.845 106 H ALA 15 H ALA 15 -3.115 -8.589 7.966 107 HA ALA 15 HA ALA 15 -3.473 -7.266 10.457 108 HB1 ALA 15 HB1 ALA 15 -4.199 -10.111 9.611 109 HB2 ALA 15 HB2 ALA 15 -4.907 -9.194 10.952 110 HB3 ALA 15 HB3 ALA 15 -5.181 -8.664 9.282 111 H ARG 16 H ARG 16 -0.694 -8.658 9.606 112 HA ARG 16 HA ARG 16 -0.151 -9.849 12.294 113 HB2 ARG 16 HB2 ARG 16 1.143 -10.572 9.632 114 HB3 ARG 16 HB3 ARG 16 1.539 -11.240 11.215 115 HG2 ARG 16 HG2 ARG 16 -0.689 -12.236 11.401 116 HG3 ARG 16 HG3 ARG 16 -1.165 -11.583 9.836 117 HD2 ARG 16 HD2 ARG 16 0.385 -12.941 8.635 118 HD3 ARG 16 HD3 ARG 16 1.353 -13.279 10.060 119 HE ARG 16 HE ARG 16 -0.903 -14.779 9.125 120 HH11 ARG 16 HH11 ARG 16 0.981 -14.073 12.059 121 HH12 ARG 16 HH12 ARG 16 0.103 -15.214 13.032 122 HH21 ARG 16 HH21 ARG 16 -1.867 -16.294 10.246 123 HH22 ARG 16 HH22 ARG 16 -1.603 -16.598 11.954 124 H GLY 17 H GLY 17 0.527 -7.229 10.191 125 HA2 GLY 17 HA2 GLY 17 1.893 -5.542 11.450 126 HA3 GLY 17 HA3 GLY 17 3.167 -6.753 11.519 127 H ALA 18 H ALA 18 1.850 -7.226 8.433 128 HA ALA 18 HA ALA 18 4.101 -5.862 7.230 129 HB1 ALA 18 HB1 ALA 18 1.695 -7.157 5.916 130 HB2 ALA 18 HB2 ALA 18 3.189 -6.655 5.106 131 HB3 ALA 18 HB3 ALA 18 3.232 -7.973 6.299 132 H LYS 19 H LYS 19 4.033 -3.672 7.366 133 HA LYS 19 HA LYS 19 1.498 -2.217 7.224 134 HB2 LYS 19 HB2 LYS 19 4.308 -1.633 8.006 135 HB3 LYS 19 HB3 LYS 19 3.507 -0.310 7.162 136 HG2 LYS 19 HG2 LYS 19 3.192 -0.172 9.602 137 HG3 LYS 19 HG3 LYS 19 1.676 -0.285 8.687 138 HD2 LYS 19 HD2 LYS 19 2.255 -2.934 9.351 139 HD3 LYS 19 HD3 LYS 19 2.775 -2.053 10.778 140 HE2 LYS 19 HE2 LYS 19 0.057 -2.202 9.423 141 HE3 LYS 19 HE3 LYS 19 0.484 -2.799 11.018 142 HZ1 LYS 19 HZ1 LYS 19 0.608 -0.504 11.779 143 HZ2 LYS 19 HZ2 LYS 19 -0.826 -0.839 11.013 144 HZ3 LYS 19 HZ3 LYS 19 0.278 0.047 10.230 145 H LEU 20 H LEU 20 0.467 -1.637 5.469 146 HA LEU 20 HA LEU 20 1.960 -1.512 2.919 147 HB2 LEU 20 HB2 LEU 20 -0.264 -2.608 3.223 148 HB3 LEU 20 HB3 LEU 20 -0.993 -1.042 3.455 149 HG LEU 20 HG LEU 20 0.574 -1.622 0.927 150 HD11 LEU 20 HD11 LEU 20 -2.285 -2.421 1.602 151 HD12 LEU 20 HD12 LEU 20 -0.960 -3.496 1.139 152 HD13 LEU 20 HD13 LEU 20 -1.622 -2.377 -0.062 153 HD21 LEU 20 HD21 LEU 20 -0.707 -0.007 -0.129 154 HD22 LEU 20 HD22 LEU 20 -0.429 0.743 1.440 155 HD23 LEU 20 HD23 LEU 20 -1.961 -0.032 1.111 156 H ILE 21 H ILE 21 2.106 0.465 1.622 157 HA ILE 21 HA ILE 21 1.719 2.989 3.151 158 HB ILE 21 HB ILE 21 3.944 2.452 1.161 159 HG12 ILE 21 HG12 ILE 21 4.361 0.956 3.085 160 HG13 ILE 21 HG13 ILE 21 5.555 2.210 2.891 161 HG21 ILE 21 HG21 ILE 21 3.456 4.667 3.200 162 HG22 ILE 21 HG22 ILE 21 4.920 4.509 2.199 163 HG23 ILE 21 HG23 ILE 21 3.347 4.814 1.446 164 HD11 ILE 21 HD11 ILE 21 4.651 3.441 4.814 165 HD12 ILE 21 HD12 ILE 21 3.292 2.304 4.940 166 HD13 ILE 21 HD13 ILE 21 4.942 1.756 5.267 167 H ASP 22 H ASP 22 0.491 4.414 2.194 168 HA ASP 22 HA ASP 22 -0.722 3.924 -0.433 169 HB2 ASP 22 HB2 ASP 22 -1.047 5.953 1.790 170 HB3 ASP 22 HB3 ASP 22 -1.774 6.162 0.221 171 H ILE 23 H ILE 23 0.977 4.403 -1.998 172 HA ILE 23 HA ILE 23 2.199 7.119 -1.791 173 HB ILE 23 HB ILE 23 3.928 6.320 -3.219 174 HG12 ILE 23 HG12 ILE 23 3.233 3.417 -3.041 175 HG13 ILE 23 HG13 ILE 23 2.149 4.351 -4.061 176 HG21 ILE 23 HG21 ILE 23 3.607 4.314 -0.953 177 HG22 ILE 23 HG22 ILE 23 5.087 5.021 -1.639 178 HG23 ILE 23 HG23 ILE 23 4.002 6.025 -0.706 179 HD11 ILE 23 HD11 ILE 23 4.076 3.406 -5.301 180 HD12 ILE 23 HD12 ILE 23 3.781 5.152 -5.448 181 HD13 ILE 23 HD13 ILE 23 5.116 4.569 -4.399 182 H ARG 24 H ARG 24 -0.412 6.998 -2.636 183 HA ARG 24 HA ARG 24 -0.299 7.604 -5.561 184 HB2 ARG 24 HB2 ARG 24 -2.915 7.329 -5.265 185 HB3 ARG 24 HB3 ARG 24 -1.830 6.009 -5.640 186 HG2 ARG 24 HG2 ARG 24 -2.011 4.970 -3.645 187 HG3 ARG 24 HG3 ARG 24 -2.258 6.459 -2.745 188 HD2 ARG 24 HD2 ARG 24 -4.604 6.539 -4.052 189 HD3 ARG 24 HD3 ARG 24 -4.377 4.786 -4.048 190 HE ARG 24 HE ARG 24 -3.902 6.270 -1.553 191 HH11 ARG 24 HH11 ARG 24 -6.779 4.850 -3.194 192 HH12 ARG 24 HH12 ARG 24 -7.411 4.283 -1.710 193 HH21 ARG 24 HH21 ARG 24 -4.743 5.068 0.355 194 HH22 ARG 24 HH22 ARG 24 -6.226 4.226 0.161 195 H ASP 25 H ASP 25 -2.895 8.675 -3.299 196 HA ASP 25 HA ASP 25 -1.669 11.254 -3.062 197 HB2 ASP 25 HB2 ASP 25 -2.945 10.818 -5.503 198 HB3 ASP 25 HB3 ASP 25 -4.222 11.544 -4.542 199 H ALA 26 H ALA 26 -3.104 12.796 -2.011 200 HA ALA 26 HA ALA 26 -4.558 11.537 0.156 201 HB1 ALA 26 HB1 ALA 26 -3.165 13.610 0.384 202 HB2 ALA 26 HB2 ALA 26 -4.374 14.487 -0.585 203 HB3 ALA 26 HB3 ALA 26 -4.821 13.792 0.979 204 H ASP 27 H ASP 27 -5.495 12.927 -2.937 205 HA ASP 27 HA ASP 27 -8.209 13.554 -2.468 206 HB2 ASP 27 HB2 ASP 27 -6.694 12.605 -4.930 207 HB3 ASP 27 HB3 ASP 27 -8.412 12.984 -4.971 208 H GLU 28 H GLU 28 -6.634 10.464 -3.115 209 HA GLU 28 HA GLU 28 -9.100 9.008 -3.639 210 HB2 GLU 28 HB2 GLU 28 -6.319 7.993 -2.921 211 HB3 GLU 28 HB3 GLU 28 -7.654 7.025 -3.564 212 HG2 GLU 28 HG2 GLU 28 -6.205 9.313 -4.981 213 HG3 GLU 28 HG3 GLU 28 -6.080 7.607 -5.354 214 H TYR 29 H TYR 29 -6.899 9.300 -0.937 215 HA TYR 29 HA TYR 29 -8.058 7.671 0.994 216 HB2 TYR 29 HB2 TYR 29 -5.816 8.959 0.881 217 HB3 TYR 29 HB3 TYR 29 -6.676 10.317 1.578 218 HD1 TYR 29 HD1 TYR 29 -5.480 6.864 2.125 219 HD2 TYR 29 HD2 TYR 29 -7.284 10.302 3.960 220 HE1 TYR 29 HE1 TYR 29 -4.883 5.972 4.355 221 HE2 TYR 29 HE2 TYR 29 -6.821 9.369 6.203 222 HH TYR 29 HH TYR 29 -6.281 6.917 7.185 223 H LEU 30 H LEU 30 -9.652 10.299 -0.398 224 HA LEU 30 HA LEU 30 -10.977 11.442 1.926 225 HB2 LEU 30 HB2 LEU 30 -10.184 12.656 -0.163 226 HB3 LEU 30 HB3 LEU 30 -11.411 11.800 -1.092 227 HG LEU 30 HG LEU 30 -12.057 13.413 1.358 228 HD11 LEU 30 HD11 LEU 30 -12.656 15.276 -0.330 229 HD12 LEU 30 HD12 LEU 30 -11.651 14.379 -1.489 230 HD13 LEU 30 HD13 LEU 30 -10.954 14.993 0.019 231 HD21 LEU 30 HD21 LEU 30 -14.286 13.774 0.167 232 HD22 LEU 30 HD22 LEU 30 -14.004 12.114 0.651 233 HD23 LEU 30 HD23 LEU 30 -13.758 12.595 -1.039 234 H ARG 31 H ARG 31 -11.742 9.535 -1.015 235 HA ARG 31 HA ARG 31 -14.452 8.918 0.024 236 HB2 ARG 31 HB2 ARG 31 -13.139 8.255 -2.649 237 HB3 ARG 31 HB3 ARG 31 -14.809 7.918 -2.179 238 HG2 ARG 31 HG2 ARG 31 -14.883 10.520 -1.655 239 HG3 ARG 31 HG3 ARG 31 -13.508 10.591 -2.770 240 HD2 ARG 31 HD2 ARG 31 -16.198 9.295 -3.334 241 HD3 ARG 31 HD3 ARG 31 -15.770 10.947 -3.827 242 HE ARG 31 HE ARG 31 -13.780 9.486 -4.965 243 HH11 ARG 31 HH11 ARG 31 -17.337 9.188 -5.091 244 HH12 ARG 31 HH12 ARG 31 -17.323 8.704 -6.768 245 HH21 ARG 31 HH21 ARG 31 -13.801 8.647 -7.053 246 HH22 ARG 31 HH22 ARG 31 -15.282 8.226 -7.836 247 H GLU 32 H GLU 32 -11.444 7.131 -0.846 248 HA GLU 32 HA GLU 32 -12.591 4.773 0.584 249 HB2 GLU 32 HB2 GLU 32 -11.158 4.894 -2.133 250 HB3 GLU 32 HB3 GLU 32 -11.464 3.401 -1.260 251 HG2 GLU 32 HG2 GLU 32 -13.945 3.909 -1.413 252 HG3 GLU 32 HG3 GLU 32 -13.575 5.343 -2.354 253 H HIS 33 H HIS 33 -10.605 3.166 0.978 254 HA HIS 33 HA HIS 33 -8.112 4.725 1.371 255 HB2 HIS 33 HB2 HIS 33 -9.332 3.168 3.642 256 HB3 HIS 33 HB3 HIS 33 -7.751 3.975 3.568 257 HD1 HIS 33 HD1 HIS 33 -7.671 6.480 4.254 258 HD2 HIS 33 HD2 HIS 33 -11.517 4.995 3.455 259 HE1 HIS 33 HE1 HIS 33 -9.303 8.291 4.961 260 H ILE 34 H ILE 34 -8.068 1.585 2.908 261 HA ILE 34 HA ILE 34 -7.879 -0.157 0.744 262 HB ILE 34 HB ILE 34 -5.721 1.696 0.738 263 HG12 ILE 34 HG12 ILE 34 -6.313 -0.742 -0.720 264 HG13 ILE 34 HG13 ILE 34 -5.756 0.835 -1.225 265 HG21 ILE 34 HG21 ILE 34 -4.930 0.797 2.897 266 HG22 ILE 34 HG22 ILE 34 -4.360 -0.634 2.049 267 HG23 ILE 34 HG23 ILE 34 -3.795 0.978 1.557 268 HD11 ILE 34 HD11 ILE 34 -3.926 -1.376 -0.209 269 HD12 ILE 34 HD12 ILE 34 -4.157 -0.839 -1.869 270 HD13 ILE 34 HD13 ILE 34 -3.456 0.256 -0.650 271 HA PRO 35 HA PRO 35 -7.232 -2.932 4.288 272 HB2 PRO 35 HB2 PRO 35 -5.686 -4.980 3.480 273 HB3 PRO 35 HB3 PRO 35 -7.320 -4.678 2.868 274 HG2 PRO 35 HG2 PRO 35 -4.711 -4.049 1.466 275 HG3 PRO 35 HG3 PRO 35 -6.152 -4.689 0.786 276 HD2 PRO 35 HD2 PRO 35 -5.485 -2.065 0.793 277 HD3 PRO 35 HD3 PRO 35 -7.173 -2.607 0.624 278 H GLU 36 H GLU 36 -6.229 -1.759 5.777 279 HA GLU 36 HA GLU 36 -4.718 -0.836 7.157 280 HB2 GLU 36 HB2 GLU 36 -4.576 -3.533 7.002 281 HB3 GLU 36 HB3 GLU 36 -2.899 -3.159 6.833 282 HG2 GLU 36 HG2 GLU 36 -4.797 -2.472 9.108 283 HG3 GLU 36 HG3 GLU 36 -3.464 -3.607 9.159 284 H ALA 37 H ALA 37 -3.997 0.980 5.887 285 HA ALA 37 HA ALA 37 -1.082 0.847 5.404 286 HB1 ALA 37 HB1 ALA 37 -3.043 2.184 3.532 287 HB2 ALA 37 HB2 ALA 37 -1.293 2.027 3.289 288 HB3 ALA 37 HB3 ALA 37 -2.331 0.592 3.243 289 H ASP 38 H ASP 38 -0.692 3.495 4.595 290 HA ASP 38 HA ASP 38 -2.112 5.260 6.434 291 HB2 ASP 38 HB2 ASP 38 -0.034 4.051 7.607 292 HB3 ASP 38 HB3 ASP 38 0.876 5.227 6.639 293 H LEU 39 H LEU 39 -2.123 7.304 5.558 294 HA LEU 39 HA LEU 39 -1.508 7.677 2.837 295 HB2 LEU 39 HB2 LEU 39 -3.353 8.770 4.001 296 HB3 LEU 39 HB3 LEU 39 -2.218 9.608 5.063 297 HG LEU 39 HG LEU 39 -1.325 10.866 3.162 298 HD11 LEU 39 HD11 LEU 39 -3.522 9.566 1.525 299 HD12 LEU 39 HD12 LEU 39 -1.776 9.295 1.312 300 HD13 LEU 39 HD13 LEU 39 -2.461 10.884 0.981 301 HD21 LEU 39 HD21 LEU 39 -3.299 12.326 2.806 302 HD22 LEU 39 HD22 LEU 39 -3.165 11.817 4.492 303 HD23 LEU 39 HD23 LEU 39 -4.356 11.046 3.428 304 H ALA 40 H ALA 40 0.558 7.817 1.989 305 HA ALA 40 HA ALA 40 2.380 9.928 2.898 306 HB1 ALA 40 HB1 ALA 40 3.129 6.984 3.016 307 HB2 ALA 40 HB2 ALA 40 4.234 8.359 3.204 308 HB3 ALA 40 HB3 ALA 40 2.974 8.075 4.409 309 HA PRO 41 HA PRO 41 1.791 9.140 -1.638 310 HB2 PRO 41 HB2 PRO 41 2.319 11.807 -2.381 311 HB3 PRO 41 HB3 PRO 41 0.730 11.018 -2.153 312 HG2 PRO 41 HG2 PRO 41 2.292 12.732 -0.238 313 HG3 PRO 41 HG3 PRO 41 0.523 12.668 -0.508 314 HD2 PRO 41 HD2 PRO 41 1.709 11.463 1.617 315 HD3 PRO 41 HD3 PRO 41 0.298 10.725 0.802 316 H LEU 42 H LEU 42 3.167 9.308 -3.473 317 HA LEU 42 HA LEU 42 5.785 8.432 -3.076 318 HB2 LEU 42 HB2 LEU 42 4.289 8.240 -5.156 319 HB3 LEU 42 HB3 LEU 42 4.710 9.915 -5.501 320 HG LEU 42 HG LEU 42 7.217 9.029 -5.354 321 HD11 LEU 42 HD11 LEU 42 7.485 6.725 -6.066 322 HD12 LEU 42 HD12 LEU 42 5.717 6.486 -6.133 323 HD13 LEU 42 HD13 LEU 42 6.539 6.730 -4.576 324 HD21 LEU 42 HD21 LEU 42 6.241 9.979 -7.315 325 HD22 LEU 42 HD22 LEU 42 5.355 8.489 -7.677 326 HD23 LEU 42 HD23 LEU 42 7.158 8.536 -7.752 327 H SER 43 H SER 43 4.551 11.734 -3.574 328 HA SER 43 HA SER 43 6.938 13.099 -4.051 329 HB2 SER 43 HB2 SER 43 4.483 14.099 -2.564 330 HB3 SER 43 HB3 SER 43 5.634 15.061 -3.511 331 HG SER 43 HG SER 43 3.725 14.599 -4.635 332 H VAL 44 H VAL 44 5.228 12.606 -0.848 333 HA VAL 44 HA VAL 44 7.341 13.922 0.584 334 HB VAL 44 HB VAL 44 5.086 13.900 1.337 335 HG11 VAL 44 HG11 VAL 44 4.019 12.060 2.496 336 HG12 VAL 44 HG12 VAL 44 4.229 11.762 0.784 337 HG13 VAL 44 HG13 VAL 44 5.310 10.964 1.953 338 HG21 VAL 44 HG21 VAL 44 5.526 13.552 3.730 339 HG22 VAL 44 HG22 VAL 44 6.937 12.549 3.344 340 HG23 VAL 44 HG23 VAL 44 6.928 14.281 2.943 341 H LEU 45 H LEU 45 6.634 10.608 -0.254 342 HA LEU 45 HA LEU 45 8.663 9.292 1.297 343 HB2 LEU 45 HB2 LEU 45 7.598 8.657 -1.466 344 HB3 LEU 45 HB3 LEU 45 8.806 7.672 -0.700 345 HG LEU 45 HG LEU 45 5.981 7.498 -0.607 346 HD11 LEU 45 HD11 LEU 45 6.411 5.367 0.470 347 HD12 LEU 45 HD12 LEU 45 8.057 5.878 0.913 348 HD13 LEU 45 HD13 LEU 45 7.607 5.665 -0.799 349 HD21 LEU 45 HD21 LEU 45 7.172 7.852 2.202 350 HD22 LEU 45 HD22 LEU 45 5.575 7.168 1.815 351 HD23 LEU 45 HD23 LEU 45 5.909 8.857 1.433 352 H GLU 46 H GLU 46 8.963 11.149 -1.729 353 HA GLU 46 HA GLU 46 11.804 10.529 -2.110 354 HB2 GLU 46 HB2 GLU 46 9.555 11.883 -3.602 355 HB3 GLU 46 HB3 GLU 46 11.179 12.376 -3.984 356 HG2 GLU 46 HG2 GLU 46 10.755 9.420 -3.874 357 HG3 GLU 46 HG3 GLU 46 9.920 10.286 -5.159 358 H GLN 47 H GLN 47 10.062 12.693 -0.139 359 HA GLN 47 HA GLN 47 12.043 14.861 -0.288 360 HB2 GLN 47 HB2 GLN 47 9.290 14.818 -0.203 361 HB3 GLN 47 HB3 GLN 47 9.646 14.954 1.507 362 HG2 GLN 47 HG2 GLN 47 10.855 16.768 -0.632 363 HG3 GLN 47 HG3 GLN 47 9.274 17.014 0.098 364 HE21 GLN 47 HE21 GLN 47 12.700 17.535 0.561 365 HE22 GLN 47 HE22 GLN 47 12.571 18.104 2.204 366 H SER 48 H SER 48 10.828 12.215 1.679 367 HA SER 48 HA SER 48 12.950 12.801 3.723 368 HB2 SER 48 HB2 SER 48 10.065 12.055 4.231 369 HB3 SER 48 HB3 SER 48 11.295 12.249 5.480 370 HG SER 48 HG SER 48 9.821 14.029 5.066 371 H GLY 49 H GLY 49 10.520 10.333 2.717 372 HA2 GLY 49 HA2 GLY 49 11.367 8.111 2.062 373 HA3 GLY 49 HA3 GLY 49 12.465 8.173 3.442 374 H LEU 50 H LEU 50 11.407 6.130 3.957 375 HA LEU 50 HA LEU 50 8.668 6.007 4.739 376 HB2 LEU 50 HB2 LEU 50 10.271 4.232 3.862 377 HB3 LEU 50 HB3 LEU 50 10.938 4.128 5.484 378 HG LEU 50 HG LEU 50 9.374 2.349 5.014 379 HD11 LEU 50 HD11 LEU 50 7.938 2.402 6.861 380 HD12 LEU 50 HD12 LEU 50 7.951 4.158 6.961 381 HD13 LEU 50 HD13 LEU 50 9.428 3.229 7.342 382 HD21 LEU 50 HD21 LEU 50 7.080 2.628 4.504 383 HD22 LEU 50 HD22 LEU 50 7.977 3.587 3.322 384 HD23 LEU 50 HD23 LEU 50 7.139 4.389 4.670 385 HA PRO 51 HA PRO 51 9.581 7.994 8.749 386 HB2 PRO 51 HB2 PRO 51 6.840 7.283 9.580 387 HB3 PRO 51 HB3 PRO 51 7.574 8.889 9.419 388 HG2 PRO 51 HG2 PRO 51 5.669 7.975 7.643 389 HG3 PRO 51 HG3 PRO 51 6.983 9.099 7.189 390 HD2 PRO 51 HD2 PRO 51 6.825 6.124 6.681 391 HD3 PRO 51 HD3 PRO 51 7.444 7.450 5.654 392 H ALA 52 H ALA 52 9.742 7.303 11.031 393 HA ALA 52 HA ALA 52 10.493 4.625 11.415 394 HB1 ALA 52 HB1 ALA 52 9.668 6.781 13.396 395 HB2 ALA 52 HB2 ALA 52 10.423 5.250 13.840 396 HB3 ALA 52 HB3 ALA 52 11.317 6.391 12.821 397 H LYS 53 H LYS 53 7.174 6.016 11.891 398 HA LYS 53 HA LYS 53 6.133 4.206 13.686 399 HB2 LYS 53 HB2 LYS 53 5.023 6.226 12.991 400 HB3 LYS 53 HB3 LYS 53 4.936 5.686 11.305 401 HG2 LYS 53 HG2 LYS 53 3.391 3.860 12.035 402 HG3 LYS 53 HG3 LYS 53 3.495 4.515 13.688 403 HD2 LYS 53 HD2 LYS 53 2.580 6.675 12.884 404 HD3 LYS 53 HD3 LYS 53 2.540 6.038 11.235 405 HE2 LYS 53 HE2 LYS 53 0.318 5.985 12.081 406 HE3 LYS 53 HE3 LYS 53 0.877 4.317 11.943 407 HZ1 LYS 53 HZ1 LYS 53 1.148 4.216 14.269 408 HZ2 LYS 53 HZ2 LYS 53 -0.330 4.880 14.003 409 HZ3 LYS 53 HZ3 LYS 53 0.935 5.844 14.473 410 H LEU 54 H LEU 54 5.823 3.957 10.120 411 HA LEU 54 HA LEU 54 5.028 1.125 10.302 412 HB2 LEU 54 HB2 LEU 54 5.481 2.909 7.868 413 HB3 LEU 54 HB3 LEU 54 4.448 1.506 7.950 414 HG LEU 54 HG LEU 54 3.847 4.072 9.483 415 HD11 LEU 54 HD11 LEU 54 2.611 3.465 6.830 416 HD12 LEU 54 HD12 LEU 54 4.097 4.432 6.990 417 HD13 LEU 54 HD13 LEU 54 2.642 4.968 7.804 418 HD21 LEU 54 HD21 LEU 54 1.924 1.935 8.591 419 HD22 LEU 54 HD22 LEU 54 1.579 3.353 9.587 420 HD23 LEU 54 HD23 LEU 54 2.602 2.061 10.240 421 H ARG 55 H ARG 55 7.932 1.938 10.918 422 HA ARG 55 HA ARG 55 9.409 1.038 8.595 423 HB2 ARG 55 HB2 ARG 55 11.344 1.483 9.753 424 HB3 ARG 55 HB3 ARG 55 10.217 2.644 10.408 425 HG2 ARG 55 HG2 ARG 55 10.721 1.915 12.488 426 HG3 ARG 55 HG3 ARG 55 10.021 0.334 12.107 427 HD2 ARG 55 HD2 ARG 55 12.271 -0.338 11.157 428 HD3 ARG 55 HD3 ARG 55 12.894 1.261 11.594 429 HE ARG 55 HE ARG 55 11.912 0.296 13.970 430 HH11 ARG 55 HH11 ARG 55 14.043 -1.449 11.679 431 HH12 ARG 55 HH12 ARG 55 15.074 -2.001 12.936 432 HH21 ARG 55 HH21 ARG 55 13.213 -0.794 15.560 433 HH22 ARG 55 HH22 ARG 55 14.599 -1.692 15.027 434 H HIS 56 H HIS 56 7.544 -0.807 10.375 435 HA HIS 56 HA HIS 56 8.707 -2.961 11.460 436 HB2 HIS 56 HB2 HIS 56 6.156 -2.372 10.809 437 HB3 HIS 56 HB3 HIS 56 6.455 -3.574 9.566 438 HD1 HIS 56 HD1 HIS 56 6.342 -6.150 10.465 439 HD2 HIS 56 HD2 HIS 56 6.668 -3.156 13.436 440 HE1 HIS 56 HE1 HIS 56 6.052 -7.307 12.682 441 H GLU 57 H GLU 57 9.290 -5.076 10.867 442 HA GLU 57 HA GLU 57 11.231 -5.400 9.017 443 HB2 GLU 57 HB2 GLU 57 9.562 -7.123 10.750 444 HB3 GLU 57 HB3 GLU 57 10.130 -7.983 9.321 445 HG2 GLU 57 HG2 GLU 57 11.674 -8.103 11.323 446 HG3 GLU 57 HG3 GLU 57 12.380 -7.581 9.784 447 H GLN 58 H GLN 58 7.830 -5.696 8.183 448 HA GLN 58 HA GLN 58 8.653 -6.055 5.375 449 HB2 GLN 58 HB2 GLN 58 6.525 -7.699 6.822 450 HB3 GLN 58 HB3 GLN 58 6.743 -7.629 5.066 451 HG2 GLN 58 HG2 GLN 58 9.044 -8.563 5.317 452 HG3 GLN 58 HG3 GLN 58 8.799 -8.689 7.051 453 HE21 GLN 58 HE21 GLN 58 8.981 -10.711 4.529 454 HE22 GLN 58 HE22 GLN 58 7.656 -11.807 4.891 455 H ILE 59 H ILE 59 7.463 -4.843 4.052 456 HA ILE 59 HA ILE 59 5.084 -3.497 5.101 457 HB ILE 59 HB ILE 59 5.814 -1.360 4.500 458 HG12 ILE 59 HG12 ILE 59 8.610 -1.848 3.814 459 HG13 ILE 59 HG13 ILE 59 7.477 -2.502 2.620 460 HG21 ILE 59 HG21 ILE 59 7.807 -0.749 5.818 461 HG22 ILE 59 HG22 ILE 59 6.650 -1.768 6.724 462 HG23 ILE 59 HG23 ILE 59 8.149 -2.459 6.068 463 HD11 ILE 59 HD11 ILE 59 7.358 0.335 3.711 464 HD12 ILE 59 HD12 ILE 59 8.085 -0.202 2.191 465 HD13 ILE 59 HD13 ILE 59 6.338 -0.370 2.424 466 H ILE 60 H ILE 60 4.547 -2.056 2.870 467 HA ILE 60 HA ILE 60 4.694 -3.678 0.468 468 HB ILE 60 HB ILE 60 1.916 -3.199 1.553 469 HG12 ILE 60 HG12 ILE 60 3.314 -5.858 1.872 470 HG13 ILE 60 HG13 ILE 60 2.771 -4.757 3.156 471 HG21 ILE 60 HG21 ILE 60 2.809 -5.179 -0.596 472 HG22 ILE 60 HG22 ILE 60 1.146 -4.754 -0.183 473 HG23 ILE 60 HG23 ILE 60 2.125 -3.585 -0.952 474 HD11 ILE 60 HD11 ILE 60 1.085 -6.400 1.261 475 HD12 ILE 60 HD12 ILE 60 1.057 -6.354 3.044 476 HD13 ILE 60 HD13 ILE 60 0.425 -4.990 2.103 477 H PHE 61 H PHE 61 3.592 -2.511 -1.279 478 HA PHE 61 HA PHE 61 3.051 0.402 -0.937 479 HB2 PHE 61 HB2 PHE 61 5.074 -1.112 -2.601 480 HB3 PHE 61 HB3 PHE 61 4.245 0.221 -3.384 481 HD1 PHE 61 HD1 PHE 61 5.186 2.332 -3.267 482 HD2 PHE 61 HD2 PHE 61 6.053 -0.478 -0.126 483 HE1 PHE 61 HE1 PHE 61 6.801 3.932 -2.256 484 HE2 PHE 61 HE2 PHE 61 7.545 1.192 0.896 485 HZ PHE 61 HZ PHE 61 8.001 3.340 -0.173 486 H HIS 62 H HIS 62 1.534 1.240 -2.492 487 HA HIS 62 HA HIS 62 0.458 -0.409 -4.600 488 HB2 HIS 62 HB2 HIS 62 -1.617 -0.841 -3.830 489 HB3 HIS 62 HB3 HIS 62 -0.884 -0.791 -2.240 490 HD1 HIS 62 HD1 HIS 62 -3.647 0.778 -4.199 491 HD2 HIS 62 HD2 HIS 62 -0.962 1.997 -1.188 492 HE1 HIS 62 HE1 HIS 62 -4.647 2.822 -3.152 493 H CYS 63 H CYS 63 -1.064 0.994 -5.910 494 HA CYS 63 HA CYS 63 -0.706 3.901 -5.411 495 HB2 CYS 63 HB2 CYS 63 -0.271 2.500 -8.063 496 HB3 CYS 63 HB3 CYS 63 -0.238 4.262 -7.778 497 HG CYS 63 HG CYS 63 2.142 3.910 -7.967 498 H GLN 64 H GLN 64 -2.080 4.970 -7.489 499 HA GLN 64 HA GLN 64 -4.759 4.677 -6.680 500 HB2 GLN 64 HB2 GLN 64 -3.704 6.736 -7.600 501 HB3 GLN 64 HB3 GLN 64 -3.672 5.993 -9.210 502 HG2 GLN 64 HG2 GLN 64 -6.119 5.845 -9.237 503 HG3 GLN 64 HG3 GLN 64 -6.193 6.386 -7.565 504 HE21 GLN 64 HE21 GLN 64 -5.423 8.648 -7.092 505 HE22 GLN 64 HE22 GLN 64 -5.651 9.862 -8.309 506 H ALA 65 H ALA 65 -3.237 3.592 -9.804 507 HA ALA 65 HA ALA 65 -4.803 1.249 -10.050 508 HB1 ALA 65 HB1 ALA 65 -6.108 1.952 -12.083 509 HB2 ALA 65 HB2 ALA 65 -6.765 2.597 -10.555 510 HB3 ALA 65 HB3 ALA 65 -5.824 3.643 -11.649 511 H GLY 66 H GLY 66 -2.962 0.209 -11.015 512 HA2 GLY 66 HA2 GLY 66 -2.320 0.582 -13.611 513 HA3 GLY 66 HA3 GLY 66 -1.343 1.848 -12.879 514 H LYS 67 H LYS 67 -1.085 -0.813 -14.202 515 HA LYS 67 HA LYS 67 0.612 -2.503 -12.675 516 HB2 LYS 67 HB2 LYS 67 1.134 -3.551 -14.898 517 HB3 LYS 67 HB3 LYS 67 -0.540 -3.511 -14.389 518 HG2 LYS 67 HG2 LYS 67 -1.061 -1.709 -15.961 519 HG3 LYS 67 HG3 LYS 67 0.642 -1.579 -16.417 520 HD2 LYS 67 HD2 LYS 67 -0.538 -2.830 -18.108 521 HD3 LYS 67 HD3 LYS 67 0.600 -3.899 -17.277 522 HE2 LYS 67 HE2 LYS 67 -1.306 -4.775 -15.902 523 HE3 LYS 67 HE3 LYS 67 -2.422 -3.750 -16.814 524 HZ1 LYS 67 HZ1 LYS 67 -0.709 -5.894 -17.936 525 HZ2 LYS 67 HZ2 LYS 67 -1.763 -4.996 -18.820 526 HZ3 LYS 67 HZ3 LYS 67 -2.310 -6.028 -17.676 527 H ARG 68 H ARG 68 1.952 -0.631 -11.823 528 HA ARG 68 HA ARG 68 4.496 -0.736 -13.206 529 HB2 ARG 68 HB2 ARG 68 4.962 1.651 -13.387 530 HB3 ARG 68 HB3 ARG 68 3.654 1.167 -14.440 531 HG2 ARG 68 HG2 ARG 68 2.934 2.193 -11.692 532 HG3 ARG 68 HG3 ARG 68 3.557 3.345 -12.850 533 HD2 ARG 68 HD2 ARG 68 1.217 1.524 -13.493 534 HD3 ARG 68 HD3 ARG 68 1.044 3.124 -12.771 535 HE ARG 68 HE ARG 68 2.007 4.148 -14.654 536 HH11 ARG 68 HH11 ARG 68 1.403 0.707 -15.416 537 HH12 ARG 68 HH12 ARG 68 0.812 1.071 -17.010 538 HH21 ARG 68 HH21 ARG 68 1.454 4.527 -16.748 539 HH22 ARG 68 HH22 ARG 68 0.667 3.333 -17.736 540 H THR 69 H THR 69 3.121 -1.254 -10.401 541 HA THR 69 HA THR 69 4.588 0.472 -8.589 542 HB THR 69 HB THR 69 3.855 -2.127 -7.468 543 HG1 THR 69 HG1 THR 69 1.917 -0.634 -8.892 544 HG21 THR 69 HG21 THR 69 4.175 0.036 -6.214 545 HG22 THR 69 HG22 THR 69 2.606 -0.737 -5.905 546 HG23 THR 69 HG23 THR 69 2.707 0.657 -6.997 547 H SER 70 H SER 70 5.024 -3.054 -9.562 548 HA SER 70 HA SER 70 7.585 -3.319 -8.410 549 HB2 SER 70 HB2 SER 70 7.760 -5.205 -10.186 550 HB3 SER 70 HB3 SER 70 6.523 -5.311 -8.926 551 HG SER 70 HG SER 70 6.135 -5.403 -11.514 552 H ASN 71 H ASN 71 6.573 -2.119 -11.550 553 HA ASN 71 HA ASN 71 9.172 -2.027 -12.763 554 HB2 ASN 71 HB2 ASN 71 6.677 -0.497 -13.467 555 HB3 ASN 71 HB3 ASN 71 8.172 -0.511 -14.394 556 HD21 ASN 71 HD21 ASN 71 8.649 -2.331 -15.776 557 HD22 ASN 71 HD22 ASN 71 7.557 -3.715 -15.837 558 H ASN 72 H ASN 72 8.185 -0.149 -10.190 559 HA ASN 72 HA ASN 72 10.366 1.831 -10.717 560 HB2 ASN 72 HB2 ASN 72 7.692 2.418 -9.384 561 HB3 ASN 72 HB3 ASN 72 9.021 3.549 -9.625 562 HD21 ASN 72 HD21 ASN 72 9.384 2.329 -12.473 563 HD22 ASN 72 HD22 ASN 72 8.130 3.116 -13.385 564 H ALA 73 H ALA 73 9.379 -0.730 -8.969 565 HA ALA 73 HA ALA 73 9.561 0.050 -6.288 566 HB1 ALA 73 HB1 ALA 73 9.813 -2.278 -5.775 567 HB2 ALA 73 HB2 ALA 73 8.578 -2.044 -7.005 568 HB3 ALA 73 HB3 ALA 73 10.194 -2.663 -7.471 569 H ASP 74 H ASP 74 12.202 0.003 -8.468 570 HA ASP 74 HA ASP 74 14.317 -0.861 -6.826 571 HB2 ASP 74 HB2 ASP 74 14.013 0.328 -9.361 572 HB3 ASP 74 HB3 ASP 74 14.979 1.508 -8.478 573 H LYS 75 H LYS 75 13.018 2.421 -7.273 574 HA LYS 75 HA LYS 75 14.555 3.646 -5.194 575 HB2 LYS 75 HB2 LYS 75 12.281 4.382 -6.987 576 HB3 LYS 75 HB3 LYS 75 12.166 5.151 -5.420 577 HG2 LYS 75 HG2 LYS 75 14.582 5.349 -7.260 578 HG3 LYS 75 HG3 LYS 75 13.301 6.554 -7.056 579 HD2 LYS 75 HD2 LYS 75 13.921 6.489 -4.514 580 HD3 LYS 75 HD3 LYS 75 15.420 5.708 -5.057 581 HE2 LYS 75 HE2 LYS 75 15.780 7.649 -6.619 582 HE3 LYS 75 HE3 LYS 75 14.340 8.428 -5.932 583 HZ1 LYS 75 HZ1 LYS 75 16.802 7.729 -4.458 584 HZ2 LYS 75 HZ2 LYS 75 15.452 8.364 -3.770 585 HZ3 LYS 75 HZ3 LYS 75 16.302 9.244 -4.863 586 H LEU 76 H LEU 76 11.232 2.503 -5.282 587 HA LEU 76 HA LEU 76 10.385 3.144 -2.697 588 HB2 LEU 76 HB2 LEU 76 9.470 0.628 -4.090 589 HB3 LEU 76 HB3 LEU 76 8.563 1.662 -3.002 590 HG LEU 76 HG LEU 76 9.478 2.364 -5.807 591 HD11 LEU 76 HD11 LEU 76 7.598 0.698 -5.692 592 HD12 LEU 76 HD12 LEU 76 7.214 2.197 -6.545 593 HD13 LEU 76 HD13 LEU 76 6.627 1.932 -4.893 594 HD21 LEU 76 HD21 LEU 76 9.323 4.382 -4.270 595 HD22 LEU 76 HD22 LEU 76 7.583 4.071 -4.195 596 HD23 LEU 76 HD23 LEU 76 8.361 4.423 -5.737 597 H ALA 77 H ALA 77 12.154 0.252 -3.738 598 HA ALA 77 HA ALA 77 12.019 -1.236 -1.328 599 HB1 ALA 77 HB1 ALA 77 13.887 -2.501 -2.254 600 HB2 ALA 77 HB2 ALA 77 12.763 -2.125 -3.557 601 HB3 ALA 77 HB3 ALA 77 14.255 -1.201 -3.415 602 H ALA 78 H ALA 78 14.552 0.979 -2.591 603 HA ALA 78 HA ALA 78 16.223 0.804 -0.275 604 HB1 ALA 78 HB1 ALA 78 16.955 1.505 -2.564 605 HB2 ALA 78 HB2 ALA 78 16.051 3.026 -2.356 606 HB3 ALA 78 HB3 ALA 78 17.421 2.640 -1.293 607 H ILE 79 H ILE 79 13.626 3.019 -1.236 608 HA ILE 79 HA ILE 79 13.837 4.997 0.724 609 HB ILE 79 HB ILE 79 11.752 3.957 -1.129 610 HG12 ILE 79 HG12 ILE 79 12.875 6.737 -0.600 611 HG13 ILE 79 HG13 ILE 79 13.575 5.578 -1.729 612 HG21 ILE 79 HG21 ILE 79 10.329 4.314 0.794 613 HG22 ILE 79 HG22 ILE 79 10.985 5.967 0.996 614 HG23 ILE 79 HG23 ILE 79 10.040 5.511 -0.444 615 HD11 ILE 79 HD11 ILE 79 11.412 5.583 -3.018 616 HD12 ILE 79 HD12 ILE 79 10.856 6.908 -1.960 617 HD13 ILE 79 HD13 ILE 79 12.269 7.142 -2.988 618 H ALA 80 H ALA 80 12.080 1.857 0.917 619 HA ALA 80 HA ALA 80 11.402 2.383 3.796 620 HB1 ALA 80 HB1 ALA 80 10.214 0.724 1.624 621 HB2 ALA 80 HB2 ALA 80 9.770 0.641 3.367 622 HB3 ALA 80 HB3 ALA 80 9.545 2.134 2.431 623 H ALA 81 H ALA 81 14.024 1.121 2.411 624 HA ALA 81 HA ALA 81 14.229 -1.480 3.539 625 HB1 ALA 81 HB1 ALA 81 16.703 -1.059 3.133 626 HB2 ALA 81 HB2 ALA 81 15.751 -0.445 1.788 627 HB3 ALA 81 HB3 ALA 81 16.377 0.672 3.012 628 HA PRO 82 HA PRO 82 16.440 -2.474 4.587 629 HB2 PRO 82 HB2 PRO 82 16.841 -4.055 6.708 630 HB3 PRO 82 HB3 PRO 82 17.827 -2.593 6.406 631 HG2 PRO 82 HG2 PRO 82 15.420 -2.850 8.247 632 HG3 PRO 82 HG3 PRO 82 17.047 -2.201 8.643 633 HD2 PRO 82 HD2 PRO 82 15.013 -0.542 7.907 634 HD3 PRO 82 HD3 PRO 82 16.679 -0.249 7.370 635 H ALA 83 H ALA 83 13.280 -2.093 5.832 636 HA ALA 83 HA ALA 83 12.380 -4.745 6.073 637 HB1 ALA 83 HB1 ALA 83 10.152 -3.802 5.701 638 HB2 ALA 83 HB2 ALA 83 11.074 -2.724 6.748 639 HB3 ALA 83 HB3 ALA 83 10.851 -2.320 5.035 640 H GLU 84 H GLU 84 11.033 -5.882 4.732 641 HA GLU 84 HA GLU 84 11.952 -6.118 1.923 642 HB2 GLU 84 HB2 GLU 84 9.894 -7.670 3.542 643 HB3 GLU 84 HB3 GLU 84 10.199 -7.929 1.821 644 HG2 GLU 84 HG2 GLU 84 12.617 -8.422 2.463 645 HG3 GLU 84 HG3 GLU 84 12.021 -8.543 4.137 646 H ILE 85 H ILE 85 10.857 -5.130 0.235 647 HA ILE 85 HA ILE 85 8.181 -3.981 0.826 648 HB ILE 85 HB ILE 85 10.450 -3.203 -1.034 649 HG12 ILE 85 HG12 ILE 85 10.041 -0.994 -0.186 650 HG13 ILE 85 HG13 ILE 85 8.508 -1.492 0.529 651 HG21 ILE 85 HG21 ILE 85 8.999 -1.647 -2.280 652 HG22 ILE 85 HG22 ILE 85 8.530 -3.313 -2.616 653 HG23 ILE 85 HG23 ILE 85 7.555 -2.331 -1.507 654 HD11 ILE 85 HD11 ILE 85 11.227 -2.541 1.403 655 HD12 ILE 85 HD12 ILE 85 10.330 -1.274 2.244 656 HD13 ILE 85 HD13 ILE 85 9.636 -2.843 2.183 657 H PHE 86 H PHE 86 6.430 -4.476 -0.292 658 HA PHE 86 HA PHE 86 6.529 -6.516 -2.413 659 HB2 PHE 86 HB2 PHE 86 4.641 -6.425 -0.013 660 HB3 PHE 86 HB3 PHE 86 4.459 -7.481 -1.398 661 HD1 PHE 86 HD1 PHE 86 6.859 -6.677 1.397 662 HD2 PHE 86 HD2 PHE 86 5.283 -9.693 -1.262 663 HE1 PHE 86 HE1 PHE 86 8.021 -8.392 2.667 664 HE2 PHE 86 HE2 PHE 86 6.501 -11.433 0.012 665 HZ PHE 86 HZ PHE 86 7.878 -10.802 1.986 666 H LEU 87 H LEU 87 4.437 -6.433 -3.651 667 HA LEU 87 HA LEU 87 3.314 -3.665 -3.675 668 HB2 LEU 87 HB2 LEU 87 3.887 -5.439 -6.075 669 HB3 LEU 87 HB3 LEU 87 3.106 -3.884 -6.089 670 HG LEU 87 HG LEU 87 5.197 -3.496 -6.922 671 HD11 LEU 87 HD11 LEU 87 4.571 -1.954 -4.945 672 HD12 LEU 87 HD12 LEU 87 6.242 -1.905 -5.553 673 HD13 LEU 87 HD13 LEU 87 5.857 -2.789 -4.067 674 HD21 LEU 87 HD21 LEU 87 6.239 -5.572 -6.455 675 HD22 LEU 87 HD22 LEU 87 6.600 -5.052 -4.787 676 HD23 LEU 87 HD23 LEU 87 7.297 -4.180 -6.176 677 H LEU 88 H LEU 88 1.192 -3.861 -3.028 678 HA LEU 88 HA LEU 88 -0.197 -6.372 -3.088 679 HB2 LEU 88 HB2 LEU 88 -0.721 -4.537 -1.476 680 HB3 LEU 88 HB3 LEU 88 -1.256 -3.518 -2.808 681 HG LEU 88 HG LEU 88 -3.044 -5.259 -3.333 682 HD11 LEU 88 HD11 LEU 88 -3.584 -6.832 -1.448 683 HD12 LEU 88 HD12 LEU 88 -2.018 -6.452 -0.730 684 HD13 LEU 88 HD13 LEU 88 -2.097 -7.261 -2.314 685 HD21 LEU 88 HD21 LEU 88 -4.510 -4.649 -1.483 686 HD22 LEU 88 HD22 LEU 88 -3.546 -3.242 -1.970 687 HD23 LEU 88 HD23 LEU 88 -3.130 -4.153 -0.498 688 H GLU 89 H GLU 89 -0.346 -7.246 -5.063 689 HA GLU 89 HA GLU 89 -0.501 -7.510 -7.310 690 HB2 GLU 89 HB2 GLU 89 -2.392 -8.444 -6.275 691 HB3 GLU 89 HB3 GLU 89 -3.224 -6.913 -6.180 692 HG2 GLU 89 HG2 GLU 89 -4.197 -8.421 -7.863 693 HG3 GLU 89 HG3 GLU 89 -3.656 -6.912 -8.580 694 H ASP 90 H ASP 90 -3.038 -4.960 -7.418 695 HA ASP 90 HA ASP 90 -1.312 -3.272 -9.091 696 HB2 ASP 90 HB2 ASP 90 -2.834 -5.056 -10.406 697 HB3 ASP 90 HB3 ASP 90 -4.075 -3.819 -10.149 698 H GLY 91 H GLY 91 -2.101 -1.140 -9.189 699 HA2 GLY 91 HA2 GLY 91 -2.700 0.249 -7.060 700 HA3 GLY 91 HA3 GLY 91 -3.295 0.768 -8.627 701 H ILE 92 H ILE 92 -4.036 -0.701 -5.638 702 HA ILE 92 HA ILE 92 -5.677 -1.224 -4.368 703 HB ILE 92 HB ILE 92 -6.045 1.197 -4.387 704 HG12 ILE 92 HG12 ILE 92 -8.591 -0.403 -3.854 705 HG13 ILE 92 HG13 ILE 92 -7.120 -0.602 -2.905 706 HG21 ILE 92 HG21 ILE 92 -8.124 2.130 -5.318 707 HG22 ILE 92 HG22 ILE 92 -7.066 1.570 -6.602 708 HG23 ILE 92 HG23 ILE 92 -8.481 0.597 -6.127 709 HD11 ILE 92 HD11 ILE 92 -7.222 1.933 -2.490 710 HD12 ILE 92 HD12 ILE 92 -8.906 1.815 -3.066 711 HD13 ILE 92 HD13 ILE 92 -8.362 0.864 -1.664 712 H ASP 93 H ASP 93 -6.369 -1.490 -7.684 713 HA ASP 93 HA ASP 93 -8.803 -2.873 -7.761 714 HB2 ASP 93 HB2 ASP 93 -7.601 -2.034 -9.735 715 HB3 ASP 93 HB3 ASP 93 -6.250 -3.104 -9.424 716 H GLY 94 H GLY 94 -5.585 -3.805 -6.822 717 HA2 GLY 94 HA2 GLY 94 -5.678 -6.597 -6.703 718 HA3 GLY 94 HA3 GLY 94 -4.700 -5.521 -5.666 719 H TRP 95 H TRP 95 -6.137 -4.343 -3.862 720 HA TRP 95 HA TRP 95 -6.985 -6.129 -1.940 721 HB2 TRP 95 HB2 TRP 95 -6.693 -3.843 -1.414 722 HB3 TRP 95 HB3 TRP 95 -7.992 -3.344 -2.481 723 HD1 TRP 95 HD1 TRP 95 -9.951 -2.602 -1.154 724 HE1 TRP 95 HE1 TRP 95 -11.196 -3.338 1.020 725 HE3 TRP 95 HE3 TRP 95 -7.174 -6.688 0.197 726 HZ2 TRP 95 HZ2 TRP 95 -10.709 -5.004 3.249 727 HZ3 TRP 95 HZ3 TRP 95 -7.543 -7.785 2.370 728 HH2 TRP 95 HH2 TRP 95 -9.278 -6.938 3.936 729 H LYS 96 H LYS 96 -9.155 -4.331 -4.192 730 HA LYS 96 HA LYS 96 -11.482 -5.762 -3.409 731 HB2 LYS 96 HB2 LYS 96 -11.301 -3.416 -4.411 732 HB3 LYS 96 HB3 LYS 96 -11.152 -4.197 -5.977 733 HG2 LYS 96 HG2 LYS 96 -13.422 -5.376 -5.355 734 HG3 LYS 96 HG3 LYS 96 -13.512 -4.227 -4.038 735 HD2 LYS 96 HD2 LYS 96 -13.614 -2.367 -5.587 736 HD3 LYS 96 HD3 LYS 96 -13.087 -3.397 -6.936 737 HE2 LYS 96 HE2 LYS 96 -15.165 -4.742 -6.708 738 HE3 LYS 96 HE3 LYS 96 -15.751 -3.605 -5.477 739 HZ1 LYS 96 HZ1 LYS 96 -15.029 -2.866 -8.262 740 HZ2 LYS 96 HZ2 LYS 96 -15.682 -1.867 -7.152 741 HZ3 LYS 96 HZ3 LYS 96 -16.566 -3.113 -7.742 742 H LYS 97 H LYS 97 -8.947 -6.908 -5.516 743 HA LYS 97 HA LYS 97 -10.584 -8.461 -7.299 744 HB2 LYS 97 HB2 LYS 97 -7.886 -7.955 -7.208 745 HB3 LYS 97 HB3 LYS 97 -7.930 -9.504 -6.376 746 HG2 LYS 97 HG2 LYS 97 -7.580 -10.245 -8.481 747 HG3 LYS 97 HG3 LYS 97 -9.344 -10.282 -8.470 748 HD2 LYS 97 HD2 LYS 97 -7.582 -8.042 -9.574 749 HD3 LYS 97 HD3 LYS 97 -8.400 -9.282 -10.542 750 HE2 LYS 97 HE2 LYS 97 -10.591 -8.479 -9.826 751 HE3 LYS 97 HE3 LYS 97 -9.836 -7.324 -8.708 752 HZ1 LYS 97 HZ1 LYS 97 -8.908 -6.153 -10.507 753 HZ2 LYS 97 HZ2 LYS 97 -10.521 -6.259 -10.737 754 HZ3 LYS 97 HZ3 LYS 97 -9.451 -7.197 -11.619 755 H ALA 98 H ALA 98 -9.385 -8.933 -4.011 756 HA ALA 98 HA ALA 98 -10.304 -11.660 -3.759 757 HB1 ALA 98 HB1 ALA 98 -8.445 -10.784 -2.406 758 HB2 ALA 98 HB2 ALA 98 -9.515 -9.556 -1.688 759 HB3 ALA 98 HB3 ALA 98 -9.773 -11.277 -1.348 760 H GLY 99 H GLY 99 -12.121 -8.933 -4.247 761 HA2 GLY 99 HA2 GLY 99 -14.352 -8.575 -4.090 762 HA3 GLY 99 HA3 GLY 99 -14.529 -10.075 -3.175 763 H LEU 100 H LEU 100 -12.151 -8.122 -1.640 764 HA LEU 100 HA LEU 100 -13.971 -7.575 0.538 765 HB2 LEU 100 HB2 LEU 100 -11.013 -7.100 0.091 766 HB3 LEU 100 HB3 LEU 100 -11.853 -6.796 1.613 767 HG LEU 100 HG LEU 100 -12.029 -9.549 0.363 768 HD11 LEU 100 HD11 LEU 100 -10.043 -10.307 1.242 769 HD12 LEU 100 HD12 LEU 100 -9.831 -8.906 2.311 770 HD13 LEU 100 HD13 LEU 100 -9.562 -8.744 0.570 771 HD21 LEU 100 HD21 LEU 100 -12.053 -8.543 3.244 772 HD22 LEU 100 HD22 LEU 100 -12.266 -10.225 2.721 773 HD23 LEU 100 HD23 LEU 100 -13.485 -9.014 2.296 774 HA PRO 101 HA PRO 101 -14.414 -3.268 -0.687 775 HB2 PRO 101 HB2 PRO 101 -15.923 -2.313 1.335 776 HB3 PRO 101 HB3 PRO 101 -16.564 -3.595 0.260 777 HG2 PRO 101 HG2 PRO 101 -15.307 -3.917 3.008 778 HG3 PRO 101 HG3 PRO 101 -16.822 -4.634 2.392 779 HD2 PRO 101 HD2 PRO 101 -14.366 -5.945 2.381 780 HD3 PRO 101 HD3 PRO 101 -15.673 -6.285 1.206 781 H VAL 102 H VAL 102 -13.521 -1.101 -0.007 782 HA VAL 102 HA VAL 102 -11.205 -1.171 1.695 783 HB VAL 102 HB VAL 102 -11.368 1.314 0.897 784 HG11 VAL 102 HG11 VAL 102 -11.277 -0.821 -1.277 785 HG12 VAL 102 HG12 VAL 102 -10.645 0.825 -1.387 786 HG13 VAL 102 HG13 VAL 102 -9.913 -0.324 -0.245 787 HG21 VAL 102 HG21 VAL 102 -13.371 0.292 -1.166 788 HG22 VAL 102 HG22 VAL 102 -13.938 0.989 0.358 789 HG23 VAL 102 HG23 VAL 102 -12.943 1.934 -0.745 790 H ALA 103 H ALA 103 -11.047 0.733 3.347 791 HA ALA 103 HA ALA 103 -13.288 0.602 5.176 792 HB1 ALA 103 HB1 ALA 103 -11.835 1.948 6.615 793 HB2 ALA 103 HB2 ALA 103 -10.883 0.646 5.886 794 HB3 ALA 103 HB3 ALA 103 -10.751 2.302 5.263 795 H VAL 104 H VAL 104 -14.725 1.606 3.271 796 HA VAL 104 HA VAL 104 -14.478 4.481 2.854 797 HB VAL 104 HB VAL 104 -16.904 4.119 1.947 798 HG11 VAL 104 HG11 VAL 104 -14.357 3.092 0.837 799 HG12 VAL 104 HG12 VAL 104 -15.864 2.640 -0.013 800 HG13 VAL 104 HG13 VAL 104 -15.470 4.333 0.254 801 HG21 VAL 104 HG21 VAL 104 -17.360 1.985 3.202 802 HG22 VAL 104 HG22 VAL 104 -17.668 1.954 1.461 803 HG23 VAL 104 HG23 VAL 104 -16.217 1.166 2.106 804 H ASN 105 H ASN 105 -16.405 5.930 3.350 805 HA ASN 105 HA ASN 105 -17.419 5.532 6.133 806 HB2 ASN 105 HB2 ASN 105 -16.794 8.023 4.494 807 HB3 ASN 105 HB3 ASN 105 -17.822 8.045 5.925 808 HD21 ASN 105 HD21 ASN 105 -14.450 7.699 4.821 809 HD22 ASN 105 HD22 ASN 105 -13.772 7.689 6.418 810 H LYS 106 H LYS 106 -18.797 3.969 4.952 811 HA LYS 106 HA LYS 106 -21.372 5.107 4.373 812 HB2 LYS 106 HB2 LYS 106 -20.235 5.227 2.094 813 HB3 LYS 106 HB3 LYS 106 -19.960 3.493 2.192 814 HG2 LYS 106 HG2 LYS 106 -22.725 3.778 2.728 815 HG3 LYS 106 HG3 LYS 106 -22.406 5.016 1.509 816 HD2 LYS 106 HD2 LYS 106 -21.651 3.387 -0.061 817 HD3 LYS 106 HD3 LYS 106 -21.462 2.164 1.203 818 HE2 LYS 106 HE2 LYS 106 -23.904 2.153 1.582 819 HE3 LYS 106 HE3 LYS 106 -24.123 3.328 0.280 820 HZ1 LYS 106 HZ1 LYS 106 -23.204 1.635 -1.250 821 HZ2 LYS 106 HZ2 LYS 106 -24.493 1.006 -0.433 822 HZ3 LYS 106 HZ3 LYS 106 -22.995 0.604 0.005 823 H SER 107 H SER 107 -22.803 3.581 5.291 824 HA SER 107 HA SER 107 -21.650 1.223 6.479 825 HB2 SER 107 HB2 SER 107 -24.565 2.037 6.102 826 HB3 SER 107 HB3 SER 107 -24.002 0.704 7.119 827 HG SER 107 HG SER 107 -23.811 2.129 8.601 828 H GLN 108 H GLN 108 -22.320 -1.025 6.109 829 HA GLN 108 HA GLN 108 -23.543 -1.761 3.578 830 HB2 GLN 108 HB2 GLN 108 -21.015 -1.610 3.088 831 HB3 GLN 108 HB3 GLN 108 -20.770 -2.840 4.313 832 HG2 GLN 108 HG2 GLN 108 -21.621 -4.531 3.012 833 HG3 GLN 108 HG3 GLN 108 -22.886 -3.529 2.328 834 HE21 GLN 108 HE21 GLN 108 -19.438 -4.408 1.919 835 HE22 GLN 108 HE22 GLN 108 -19.345 -3.838 0.267 Start of MODEL 4 1 H ALA 1 H ALA 1 11.836 -9.839 -1.308 2 HA ALA 1 HA ALA 1 12.157 -7.441 -1.410 3 HB1 ALA 1 HB1 ALA 1 14.031 -6.661 -2.993 4 HB2 ALA 1 HB2 ALA 1 14.501 -7.213 -1.383 5 HB3 ALA 1 HB3 ALA 1 14.729 -8.286 -2.778 6 H LEU 2 H LEU 2 11.115 -6.378 -2.883 7 HA LEU 2 HA LEU 2 9.452 -6.069 -4.308 8 HB2 LEU 2 HB2 LEU 2 11.739 -6.709 -6.199 9 HB3 LEU 2 HB3 LEU 2 10.228 -5.947 -6.695 10 HG LEU 2 HG LEU 2 12.234 -4.774 -4.745 11 HD11 LEU 2 HD11 LEU 2 11.347 -3.918 -7.533 12 HD12 LEU 2 HD12 LEU 2 12.917 -4.633 -7.087 13 HD13 LEU 2 HD13 LEU 2 12.474 -3.038 -6.471 14 HD21 LEU 2 HD21 LEU 2 10.152 -4.036 -3.912 15 HD22 LEU 2 HD22 LEU 2 9.431 -3.898 -5.537 16 HD23 LEU 2 HD23 LEU 2 10.643 -2.730 -4.972 17 H THR 3 H THR 3 8.836 -8.487 -3.282 18 HA THR 3 HA THR 3 8.151 -10.306 -5.472 19 HB THR 3 HB THR 3 7.432 -10.072 -2.542 20 HG1 THR 3 HG1 THR 3 9.065 -11.997 -3.776 21 HG21 THR 3 HG21 THR 3 6.762 -12.486 -2.626 22 HG22 THR 3 HG22 THR 3 6.848 -12.391 -4.402 23 HG23 THR 3 HG23 THR 3 5.666 -11.417 -3.503 24 H THR 4 H THR 4 6.137 -10.567 -6.371 25 HA THR 4 HA THR 4 4.084 -8.472 -5.925 26 HB THR 4 HB THR 4 3.154 -9.640 -8.118 27 HG1 THR 4 HG1 THR 4 4.721 -11.186 -8.286 28 HG21 THR 4 HG21 THR 4 5.477 -7.677 -8.069 29 HG22 THR 4 HG22 THR 4 3.733 -7.303 -8.008 30 HG23 THR 4 HG23 THR 4 4.427 -8.000 -9.473 31 H ILE 5 H ILE 5 3.093 -9.245 -4.140 32 HA ILE 5 HA ILE 5 2.435 -12.082 -3.801 33 HB ILE 5 HB ILE 5 3.266 -10.758 -1.951 34 HG12 ILE 5 HG12 ILE 5 0.361 -11.478 -1.407 35 HG13 ILE 5 HG13 ILE 5 1.649 -12.667 -1.639 36 HG21 ILE 5 HG21 ILE 5 2.326 -8.506 -2.590 37 HG22 ILE 5 HG22 ILE 5 0.734 -9.070 -2.068 38 HG23 ILE 5 HG23 ILE 5 2.061 -8.915 -0.901 39 HD11 ILE 5 HD11 ILE 5 1.533 -10.542 0.523 40 HD12 ILE 5 HD12 ILE 5 1.380 -12.289 0.743 41 HD13 ILE 5 HD13 ILE 5 2.932 -11.600 0.241 42 H SER 6 H SER 6 0.301 -12.965 -3.986 43 HA SER 6 HA SER 6 -1.429 -11.337 -5.649 44 HB2 SER 6 HB2 SER 6 -2.775 -13.435 -5.803 45 HB3 SER 6 HB3 SER 6 -1.087 -13.572 -6.302 46 HG SER 6 HG SER 6 -1.777 -15.309 -5.068 47 HA PRO 7 HA PRO 7 -4.228 -9.995 -2.567 48 HB2 PRO 7 HB2 PRO 7 -6.570 -9.776 -3.965 49 HB3 PRO 7 HB3 PRO 7 -5.156 -8.703 -4.186 50 HG2 PRO 7 HG2 PRO 7 -5.961 -11.111 -5.846 51 HG3 PRO 7 HG3 PRO 7 -5.446 -9.484 -6.412 52 HD2 PRO 7 HD2 PRO 7 -3.735 -11.589 -6.282 53 HD3 PRO 7 HD3 PRO 7 -3.208 -9.917 -5.946 54 H HIS 8 H HIS 8 -4.304 -11.501 -1.109 55 HA HIS 8 HA HIS 8 -6.478 -12.842 -0.185 56 HB2 HIS 8 HB2 HIS 8 -6.499 -14.453 -1.964 57 HB3 HIS 8 HB3 HIS 8 -4.753 -14.697 -1.889 58 HD1 HIS 8 HD1 HIS 8 -7.832 -16.337 -0.844 59 HD2 HIS 8 HD2 HIS 8 -3.912 -15.946 0.644 60 HE1 HIS 8 HE1 HIS 8 -7.489 -18.170 0.923 61 H ASP 9 H ASP 9 -3.047 -13.588 -0.790 62 HA ASP 9 HA ASP 9 -2.418 -14.491 1.853 63 HB2 ASP 9 HB2 ASP 9 -0.859 -13.757 -0.631 64 HB3 ASP 9 HB3 ASP 9 -0.014 -13.992 0.894 65 H ALA 10 H ALA 10 -1.797 -11.394 0.151 66 HA ALA 10 HA ALA 10 -0.499 -10.279 2.385 67 HB1 ALA 10 HB1 ALA 10 -0.426 -9.310 0.033 68 HB2 ALA 10 HB2 ALA 10 -2.088 -8.725 0.284 69 HB3 ALA 10 HB3 ALA 10 -0.764 -8.088 1.280 70 H GLN 11 H GLN 11 -3.931 -10.766 2.071 71 HA GLN 11 HA GLN 11 -4.730 -8.663 3.866 72 HB2 GLN 11 HB2 GLN 11 -6.217 -9.976 2.292 73 HB3 GLN 11 HB3 GLN 11 -5.831 -11.424 3.194 74 HG2 GLN 11 HG2 GLN 11 -6.909 -9.983 5.211 75 HG3 GLN 11 HG3 GLN 11 -7.722 -9.228 3.855 76 HE21 GLN 11 HE21 GLN 11 -9.767 -10.301 3.486 77 HE22 GLN 11 HE22 GLN 11 -9.981 -12.029 3.665 78 H GLU 12 H GLU 12 -3.122 -11.882 4.357 79 HA GLU 12 HA GLU 12 -4.041 -12.096 7.071 80 HB2 GLU 12 HB2 GLU 12 -3.611 -14.041 5.665 81 HB3 GLU 12 HB3 GLU 12 -1.913 -13.580 5.452 82 HG2 GLU 12 HG2 GLU 12 -1.392 -13.989 7.676 83 HG3 GLU 12 HG3 GLU 12 -3.084 -13.869 8.182 84 H LEU 13 H LEU 13 -0.823 -11.593 5.628 85 HA LEU 13 HA LEU 13 0.552 -11.035 7.973 86 HB2 LEU 13 HB2 LEU 13 2.207 -9.916 6.465 87 HB3 LEU 13 HB3 LEU 13 1.722 -11.561 6.062 88 HG LEU 13 HG LEU 13 0.035 -10.348 4.417 89 HD11 LEU 13 HD11 LEU 13 2.332 -8.360 4.398 90 HD12 LEU 13 HD12 LEU 13 0.729 -7.979 5.048 91 HD13 LEU 13 HD13 LEU 13 0.870 -8.405 3.366 92 HD21 LEU 13 HD21 LEU 13 2.991 -10.730 3.937 93 HD22 LEU 13 HD22 LEU 13 1.787 -10.514 2.668 94 HD23 LEU 13 HD23 LEU 13 1.704 -11.939 3.715 95 H ILE 14 H ILE 14 -1.296 -8.706 5.985 96 HA ILE 14 HA ILE 14 -0.347 -6.412 7.300 97 HB ILE 14 HB ILE 14 -2.162 -7.115 5.282 98 HG12 ILE 14 HG12 ILE 14 -1.641 -4.228 5.844 99 HG13 ILE 14 HG13 ILE 14 -0.261 -5.291 5.551 100 HG21 ILE 14 HG21 ILE 14 -4.037 -5.521 5.465 101 HG22 ILE 14 HG22 ILE 14 -4.132 -6.939 6.512 102 HG23 ILE 14 HG23 ILE 14 -3.663 -5.368 7.194 103 HD11 ILE 14 HD11 ILE 14 -1.250 -6.104 3.462 104 HD12 ILE 14 HD12 ILE 14 -2.602 -4.968 3.660 105 HD13 ILE 14 HD13 ILE 14 -0.937 -4.365 3.460 106 H ALA 15 H ALA 15 -3.275 -8.368 8.031 107 HA ALA 15 HA ALA 15 -3.846 -6.794 10.380 108 HB1 ALA 15 HB1 ALA 15 -4.905 -9.479 9.429 109 HB2 ALA 15 HB2 ALA 15 -5.612 -8.495 10.729 110 HB3 ALA 15 HB3 ALA 15 -5.608 -7.892 9.062 111 H ARG 16 H ARG 16 -1.183 -8.403 10.059 112 HA ARG 16 HA ARG 16 -1.271 -9.587 12.812 113 HB2 ARG 16 HB2 ARG 16 0.261 -10.631 10.411 114 HB3 ARG 16 HB3 ARG 16 0.437 -11.229 12.067 115 HG2 ARG 16 HG2 ARG 16 -1.865 -12.008 12.130 116 HG3 ARG 16 HG3 ARG 16 -2.256 -11.169 10.645 117 HD2 ARG 16 HD2 ARG 16 -2.055 -13.308 9.934 118 HD3 ARG 16 HD3 ARG 16 -0.494 -12.608 9.468 119 HE ARG 16 HE ARG 16 -0.822 -14.026 12.047 120 HH11 ARG 16 HH11 ARG 16 0.616 -14.218 8.764 121 HH12 ARG 16 HH12 ARG 16 0.973 -15.889 8.878 122 HH21 ARG 16 HH21 ARG 16 -0.207 -16.217 12.231 123 HH22 ARG 16 HH22 ARG 16 0.605 -17.013 10.939 124 H GLY 17 H GLY 17 0.815 -7.963 10.355 125 HA2 GLY 17 HA2 GLY 17 1.984 -6.366 12.483 126 HA3 GLY 17 HA3 GLY 17 3.076 -7.629 11.948 127 H ALA 18 H ALA 18 2.393 -7.602 9.139 128 HA ALA 18 HA ALA 18 4.226 -5.671 8.222 129 HB1 ALA 18 HB1 ALA 18 3.419 -6.268 5.963 130 HB2 ALA 18 HB2 ALA 18 3.689 -7.706 6.974 131 HB3 ALA 18 HB3 ALA 18 2.036 -7.104 6.695 132 H LYS 19 H LYS 19 4.047 -3.681 7.233 133 HA LYS 19 HA LYS 19 1.383 -2.323 7.381 134 HB2 LYS 19 HB2 LYS 19 4.237 -1.277 7.642 135 HB3 LYS 19 HB3 LYS 19 2.892 -0.213 7.266 136 HG2 LYS 19 HG2 LYS 19 3.193 -1.845 9.820 137 HG3 LYS 19 HG3 LYS 19 3.353 -0.096 9.597 138 HD2 LYS 19 HD2 LYS 19 1.182 -0.118 10.337 139 HD3 LYS 19 HD3 LYS 19 0.865 -0.331 8.621 140 HE2 LYS 19 HE2 LYS 19 0.997 -2.932 9.328 141 HE3 LYS 19 HE3 LYS 19 0.627 -2.271 10.910 142 HZ1 LYS 19 HZ1 LYS 19 -1.291 -1.148 9.867 143 HZ2 LYS 19 HZ2 LYS 19 -1.413 -2.776 9.831 144 HZ3 LYS 19 HZ3 LYS 19 -1.022 -1.933 8.458 145 H LEU 20 H LEU 20 1.049 -0.554 5.721 146 HA LEU 20 HA LEU 20 2.159 -1.262 3.079 147 HB2 LEU 20 HB2 LEU 20 -0.114 -2.299 3.735 148 HB3 LEU 20 HB3 LEU 20 -0.740 -0.677 3.759 149 HG LEU 20 HG LEU 20 0.209 -2.334 1.404 150 HD11 LEU 20 HD11 LEU 20 -2.173 -1.896 0.695 151 HD12 LEU 20 HD12 LEU 20 -2.411 -1.137 2.277 152 HD13 LEU 20 HD13 LEU 20 -1.983 -2.835 2.167 153 HD21 LEU 20 HD21 LEU 20 -0.450 0.625 1.256 154 HD22 LEU 20 HD22 LEU 20 -0.558 -0.485 -0.115 155 HD23 LEU 20 HD23 LEU 20 0.996 -0.243 0.650 156 H ILE 21 H ILE 21 2.282 0.674 1.740 157 HA ILE 21 HA ILE 21 1.577 3.259 3.048 158 HB ILE 21 HB ILE 21 3.988 2.812 1.266 159 HG12 ILE 21 HG12 ILE 21 4.506 1.463 3.187 160 HG13 ILE 21 HG13 ILE 21 5.455 2.934 3.209 161 HG21 ILE 21 HG21 ILE 21 4.748 4.972 2.171 162 HG22 ILE 21 HG22 ILE 21 3.165 5.129 1.393 163 HG23 ILE 21 HG23 ILE 21 3.274 5.081 3.157 164 HD11 ILE 21 HD11 ILE 21 3.665 1.913 5.220 165 HD12 ILE 21 HD12 ILE 21 4.730 3.341 5.294 166 HD13 ILE 21 HD13 ILE 21 3.060 3.481 4.693 167 H ASP 22 H ASP 22 0.245 4.400 1.851 168 HA ASP 22 HA ASP 22 -0.509 3.522 -0.842 169 HB2 ASP 22 HB2 ASP 22 -1.561 5.434 1.264 170 HB3 ASP 22 HB3 ASP 22 -2.023 5.685 -0.410 171 H ILE 23 H ILE 23 1.611 4.005 -1.814 172 HA ILE 23 HA ILE 23 2.400 6.827 -1.910 173 HB ILE 23 HB ILE 23 4.332 6.148 -3.134 174 HG12 ILE 23 HG12 ILE 23 4.855 3.554 -3.113 175 HG13 ILE 23 HG13 ILE 23 3.124 3.353 -3.277 176 HG21 ILE 23 HG21 ILE 23 4.301 6.014 -0.687 177 HG22 ILE 23 HG22 ILE 23 3.827 4.301 -0.779 178 HG23 ILE 23 HG23 ILE 23 5.395 4.825 -1.413 179 HD11 ILE 23 HD11 ILE 23 3.174 4.474 -5.405 180 HD12 ILE 23 HD12 ILE 23 4.825 5.121 -5.068 181 HD13 ILE 23 HD13 ILE 23 4.549 3.382 -5.396 182 H ARG 24 H ARG 24 -0.144 6.495 -2.733 183 HA ARG 24 HA ARG 24 -0.203 6.801 -5.674 184 HB2 ARG 24 HB2 ARG 24 -2.785 6.859 -5.235 185 HB3 ARG 24 HB3 ARG 24 -1.920 5.352 -5.276 186 HG2 ARG 24 HG2 ARG 24 -1.927 5.112 -2.913 187 HG3 ARG 24 HG3 ARG 24 -2.474 6.767 -2.666 188 HD2 ARG 24 HD2 ARG 24 -4.628 6.143 -3.921 189 HD3 ARG 24 HD3 ARG 24 -4.116 4.458 -3.789 190 HE ARG 24 HE ARG 24 -3.927 5.813 -1.287 191 HH11 ARG 24 HH11 ARG 24 -6.715 4.712 -3.301 192 HH12 ARG 24 HH12 ARG 24 -7.586 4.192 -1.894 193 HH21 ARG 24 HH21 ARG 24 -5.016 4.514 0.388 194 HH22 ARG 24 HH22 ARG 24 -6.598 3.970 0.013 195 H ASP 25 H ASP 25 -2.309 8.423 -3.277 196 HA ASP 25 HA ASP 25 -1.290 11.072 -3.722 197 HB2 ASP 25 HB2 ASP 25 -2.632 10.424 -5.864 198 HB3 ASP 25 HB3 ASP 25 -4.042 10.365 -4.806 199 H ALA 26 H ALA 26 -3.341 12.568 -2.767 200 HA ALA 26 HA ALA 26 -4.226 11.207 -0.275 201 HB1 ALA 26 HB1 ALA 26 -4.242 13.363 0.716 202 HB2 ALA 26 HB2 ALA 26 -2.712 13.249 -0.170 203 HB3 ALA 26 HB3 ALA 26 -4.063 14.185 -0.842 204 H ASP 27 H ASP 27 -5.421 12.655 -3.266 205 HA ASP 27 HA ASP 27 -8.050 13.328 -2.251 206 HB2 ASP 27 HB2 ASP 27 -6.989 12.879 -5.074 207 HB3 ASP 27 HB3 ASP 27 -8.616 13.447 -4.698 208 H GLU 28 H GLU 28 -6.605 10.374 -2.854 209 HA GLU 28 HA GLU 28 -8.988 8.882 -3.726 210 HB2 GLU 28 HB2 GLU 28 -6.239 7.978 -2.735 211 HB3 GLU 28 HB3 GLU 28 -7.473 6.935 -3.442 212 HG2 GLU 28 HG2 GLU 28 -6.066 9.256 -4.853 213 HG3 GLU 28 HG3 GLU 28 -5.675 7.563 -5.064 214 H TYR 29 H TYR 29 -6.921 9.074 -0.853 215 HA TYR 29 HA TYR 29 -8.099 7.425 1.001 216 HB2 TYR 29 HB2 TYR 29 -5.957 8.609 1.221 217 HB3 TYR 29 HB3 TYR 29 -6.778 10.146 1.343 218 HD1 TYR 29 HD1 TYR 29 -6.140 6.928 3.109 219 HD2 TYR 29 HD2 TYR 29 -7.638 10.959 3.444 220 HE1 TYR 29 HE1 TYR 29 -5.939 6.797 5.563 221 HE2 TYR 29 HE2 TYR 29 -7.567 10.782 5.906 222 HH TYR 29 HH TYR 29 -7.192 7.887 7.572 223 H LEU 30 H LEU 30 -9.168 10.500 -0.176 224 HA LEU 30 HA LEU 30 -10.790 11.501 1.910 225 HB2 LEU 30 HB2 LEU 30 -9.771 12.603 -0.139 226 HB3 LEU 30 HB3 LEU 30 -11.062 11.909 -1.111 227 HG LEU 30 HG LEU 30 -11.778 13.535 1.338 228 HD11 LEU 30 HD11 LEU 30 -11.554 15.619 0.108 229 HD12 LEU 30 HD12 LEU 30 -10.988 14.749 -1.344 230 HD13 LEU 30 HD13 LEU 30 -9.997 14.800 0.116 231 HD21 LEU 30 HD21 LEU 30 -13.669 14.268 -0.114 232 HD22 LEU 30 HD22 LEU 30 -13.634 12.512 0.045 233 HD23 LEU 30 HD23 LEU 30 -13.035 13.273 -1.442 234 H ARG 31 H ARG 31 -11.521 9.250 -0.767 235 HA ARG 31 HA ARG 31 -14.349 8.998 0.269 236 HB2 ARG 31 HB2 ARG 31 -13.085 8.677 -2.478 237 HB3 ARG 31 HB3 ARG 31 -14.598 7.864 -2.104 238 HG2 ARG 31 HG2 ARG 31 -14.260 10.854 -1.694 239 HG3 ARG 31 HG3 ARG 31 -14.749 10.124 -3.225 240 HD2 ARG 31 HD2 ARG 31 -16.673 9.037 -2.166 241 HD3 ARG 31 HD3 ARG 31 -16.233 9.732 -0.592 242 HE ARG 31 HE ARG 31 -16.362 11.926 -2.183 243 HH11 ARG 31 HH11 ARG 31 -18.754 9.341 -1.531 244 HH12 ARG 31 HH12 ARG 31 -20.085 10.338 -2.064 245 HH21 ARG 31 HH21 ARG 31 -18.160 13.118 -2.948 246 HH22 ARG 31 HH22 ARG 31 -19.757 12.448 -2.722 247 H GLU 32 H GLU 32 -11.527 7.170 -0.855 248 HA GLU 32 HA GLU 32 -12.667 4.675 0.329 249 HB2 GLU 32 HB2 GLU 32 -10.916 5.171 -2.093 250 HB3 GLU 32 HB3 GLU 32 -11.337 3.564 -1.504 251 HG2 GLU 32 HG2 GLU 32 -13.648 3.837 -2.194 252 HG3 GLU 32 HG3 GLU 32 -13.481 5.568 -2.412 253 H HIS 33 H HIS 33 -10.639 3.127 0.646 254 HA HIS 33 HA HIS 33 -8.218 4.668 1.328 255 HB2 HIS 33 HB2 HIS 33 -9.499 2.829 3.335 256 HB3 HIS 33 HB3 HIS 33 -7.907 3.602 3.410 257 HD1 HIS 33 HD1 HIS 33 -11.573 5.027 3.243 258 HD2 HIS 33 HD2 HIS 33 -7.763 5.556 4.952 259 HE1 HIS 33 HE1 HIS 33 -11.701 7.129 4.625 260 H ILE 34 H ILE 34 -7.904 1.648 2.677 261 HA ILE 34 HA ILE 34 -7.697 -0.089 0.477 262 HB ILE 34 HB ILE 34 -5.692 1.943 0.553 263 HG12 ILE 34 HG12 ILE 34 -6.163 -0.404 -0.994 264 HG13 ILE 34 HG13 ILE 34 -5.609 1.217 -1.400 265 HG21 ILE 34 HG21 ILE 34 -4.781 1.248 2.608 266 HG22 ILE 34 HG22 ILE 34 -4.297 -0.309 1.949 267 HG23 ILE 34 HG23 ILE 34 -3.620 1.174 1.258 268 HD11 ILE 34 HD11 ILE 34 -4.219 -0.634 -2.185 269 HD12 ILE 34 HD12 ILE 34 -3.337 0.613 -1.256 270 HD13 ILE 34 HD13 ILE 34 -3.692 -0.963 -0.535 271 HA PRO 35 HA PRO 35 -6.942 -2.904 3.889 272 HB2 PRO 35 HB2 PRO 35 -4.892 -4.604 3.109 273 HB3 PRO 35 HB3 PRO 35 -6.593 -4.681 2.683 274 HG2 PRO 35 HG2 PRO 35 -4.345 -3.805 0.930 275 HG3 PRO 35 HG3 PRO 35 -5.870 -4.439 0.484 276 HD2 PRO 35 HD2 PRO 35 -5.155 -1.773 0.539 277 HD3 PRO 35 HD3 PRO 35 -6.817 -2.386 0.313 278 H GLU 36 H GLU 36 -6.240 -1.412 5.480 279 HA GLU 36 HA GLU 36 -4.965 -0.626 7.131 280 HB2 GLU 36 HB2 GLU 36 -4.314 -3.319 6.555 281 HB3 GLU 36 HB3 GLU 36 -2.789 -2.584 6.921 282 HG2 GLU 36 HG2 GLU 36 -3.729 -3.435 8.933 283 HG3 GLU 36 HG3 GLU 36 -3.845 -1.665 9.046 284 H ALA 37 H ALA 37 -4.003 0.676 4.547 285 HA ALA 37 HA ALA 37 -1.156 1.123 5.192 286 HB1 ALA 37 HB1 ALA 37 -2.833 2.506 3.079 287 HB2 ALA 37 HB2 ALA 37 -1.064 2.399 3.137 288 HB3 ALA 37 HB3 ALA 37 -2.014 0.954 2.819 289 H ASP 38 H ASP 38 -1.110 3.882 4.315 290 HA ASP 38 HA ASP 38 -2.620 5.560 6.028 291 HB2 ASP 38 HB2 ASP 38 -0.781 4.601 7.587 292 HB3 ASP 38 HB3 ASP 38 0.354 5.438 6.528 293 H LEU 39 H LEU 39 -1.990 7.786 5.543 294 HA LEU 39 HA LEU 39 -1.358 8.166 2.802 295 HB2 LEU 39 HB2 LEU 39 -3.020 9.459 4.168 296 HB3 LEU 39 HB3 LEU 39 -1.690 10.168 5.082 297 HG LEU 39 HG LEU 39 -0.847 11.255 3.008 298 HD11 LEU 39 HD11 LEU 39 -3.413 10.195 1.724 299 HD12 LEU 39 HD12 LEU 39 -1.782 9.621 1.340 300 HD13 LEU 39 HD13 LEU 39 -2.219 11.280 0.976 301 HD21 LEU 39 HD21 LEU 39 -2.712 12.903 2.819 302 HD22 LEU 39 HD22 LEU 39 -2.423 12.445 4.506 303 HD23 LEU 39 HD23 LEU 39 -3.796 11.754 3.619 304 H ALA 40 H ALA 40 0.484 8.617 1.809 305 HA ALA 40 HA ALA 40 2.650 10.259 2.560 306 HB1 ALA 40 HB1 ALA 40 4.411 8.543 2.857 307 HB2 ALA 40 HB2 ALA 40 3.299 8.602 4.226 308 HB3 ALA 40 HB3 ALA 40 3.148 7.303 3.028 309 HA PRO 41 HA PRO 41 2.048 8.936 -1.824 310 HB2 PRO 41 HB2 PRO 41 2.442 11.424 -2.998 311 HB3 PRO 41 HB3 PRO 41 0.867 10.780 -2.454 312 HG2 PRO 41 HG2 PRO 41 2.685 12.726 -1.071 313 HG3 PRO 41 HG3 PRO 41 0.901 12.716 -1.135 314 HD2 PRO 41 HD2 PRO 41 2.341 11.801 1.039 315 HD3 PRO 41 HD3 PRO 41 0.742 11.152 0.592 316 H LEU 42 H LEU 42 3.616 9.076 -3.665 317 HA LEU 42 HA LEU 42 6.190 8.321 -2.943 318 HB2 LEU 42 HB2 LEU 42 5.313 7.891 -5.181 319 HB3 LEU 42 HB3 LEU 42 5.248 9.619 -5.529 320 HG LEU 42 HG LEU 42 7.756 9.769 -5.397 321 HD11 LEU 42 HD11 LEU 42 9.031 7.600 -5.471 322 HD12 LEU 42 HD12 LEU 42 7.533 6.755 -4.973 323 HD13 LEU 42 HD13 LEU 42 8.305 7.942 -3.908 324 HD21 LEU 42 HD21 LEU 42 6.635 7.665 -7.310 325 HD22 LEU 42 HD22 LEU 42 8.167 8.556 -7.506 326 HD23 LEU 42 HD23 LEU 42 6.628 9.423 -7.549 327 H SER 43 H SER 43 5.125 11.630 -3.892 328 HA SER 43 HA SER 43 7.575 12.875 -3.954 329 HB2 SER 43 HB2 SER 43 4.915 13.978 -2.973 330 HB3 SER 43 HB3 SER 43 6.312 14.929 -3.539 331 HG SER 43 HG SER 43 6.122 14.116 -5.531 332 H VAL 44 H VAL 44 5.862 11.876 -0.992 333 HA VAL 44 HA VAL 44 7.633 13.444 0.724 334 HB VAL 44 HB VAL 44 5.711 11.218 1.526 335 HG11 VAL 44 HG11 VAL 44 5.658 12.526 3.662 336 HG12 VAL 44 HG12 VAL 44 7.276 11.891 3.296 337 HG13 VAL 44 HG13 VAL 44 6.898 13.605 3.015 338 HG21 VAL 44 HG21 VAL 44 4.068 13.045 1.989 339 HG22 VAL 44 HG22 VAL 44 5.133 14.180 1.140 340 HG23 VAL 44 HG23 VAL 44 4.399 12.823 0.265 341 H LEU 45 H LEU 45 7.156 10.062 -0.306 342 HA LEU 45 HA LEU 45 9.084 8.761 1.275 343 HB2 LEU 45 HB2 LEU 45 8.338 8.176 -1.622 344 HB3 LEU 45 HB3 LEU 45 9.284 7.144 -0.628 345 HG LEU 45 HG LEU 45 6.482 7.182 -0.982 346 HD11 LEU 45 HD11 LEU 45 7.890 5.194 -0.801 347 HD12 LEU 45 HD12 LEU 45 6.617 5.168 0.431 348 HD13 LEU 45 HD13 LEU 45 8.272 5.571 0.901 349 HD21 LEU 45 HD21 LEU 45 6.183 8.658 1.020 350 HD22 LEU 45 HD22 LEU 45 7.264 7.598 1.979 351 HD23 LEU 45 HD23 LEU 45 5.679 7.030 1.395 352 H GLU 46 H GLU 46 9.713 10.730 -1.713 353 HA GLU 46 HA GLU 46 12.466 9.835 -1.764 354 HB2 GLU 46 HB2 GLU 46 12.416 11.293 -3.718 355 HB3 GLU 46 HB3 GLU 46 11.301 9.933 -3.802 356 HG2 GLU 46 HG2 GLU 46 9.453 11.377 -3.578 357 HG3 GLU 46 HG3 GLU 46 10.425 12.717 -3.057 358 H GLN 47 H GLN 47 10.587 12.364 -0.445 359 HA GLN 47 HA GLN 47 12.629 14.422 -0.298 360 HB2 GLN 47 HB2 GLN 47 10.324 15.045 -0.641 361 HB3 GLN 47 HB3 GLN 47 9.758 14.026 0.675 362 HG2 GLN 47 HG2 GLN 47 10.798 15.473 2.341 363 HG3 GLN 47 HG3 GLN 47 11.520 16.403 1.034 364 HE21 GLN 47 HE21 GLN 47 10.455 18.432 1.186 365 HE22 GLN 47 HE22 GLN 47 8.712 18.602 1.268 366 H SER 48 H SER 48 10.981 12.119 1.849 367 HA SER 48 HA SER 48 12.983 12.679 4.014 368 HB2 SER 48 HB2 SER 48 10.860 14.051 4.217 369 HB3 SER 48 HB3 SER 48 9.970 12.531 4.388 370 HG SER 48 HG SER 48 10.349 13.270 6.377 371 H GLY 49 H GLY 49 11.749 10.258 2.066 372 HA2 GLY 49 HA2 GLY 49 11.962 8.003 2.266 373 HA3 GLY 49 HA3 GLY 49 12.758 8.268 3.810 374 H LEU 50 H LEU 50 11.599 6.159 3.929 375 HA LEU 50 HA LEU 50 8.835 5.907 4.361 376 HB2 LEU 50 HB2 LEU 50 10.616 4.139 3.842 377 HB3 LEU 50 HB3 LEU 50 11.097 4.206 5.528 378 HG LEU 50 HG LEU 50 9.694 2.291 4.969 379 HD11 LEU 50 HD11 LEU 50 8.200 2.270 6.766 380 HD12 LEU 50 HD12 LEU 50 8.026 4.020 6.798 381 HD13 LEU 50 HD13 LEU 50 9.570 3.277 7.279 382 HD21 LEU 50 HD21 LEU 50 8.362 3.230 3.160 383 HD22 LEU 50 HD22 LEU 50 7.488 4.286 4.279 384 HD23 LEU 50 HD23 LEU 50 7.311 2.555 4.416 385 HA PRO 51 HA PRO 51 8.996 7.982 8.356 386 HB2 PRO 51 HB2 PRO 51 6.398 7.942 9.076 387 HB3 PRO 51 HB3 PRO 51 6.994 8.920 7.687 388 HG2 PRO 51 HG2 PRO 51 5.671 6.212 7.584 389 HG3 PRO 51 HG3 PRO 51 5.290 7.672 6.607 390 HD2 PRO 51 HD2 PRO 51 6.884 5.649 5.769 391 HD3 PRO 51 HD3 PRO 51 7.166 7.344 5.247 392 H ALA 52 H ALA 52 8.987 7.590 10.529 393 HA ALA 52 HA ALA 52 9.379 5.052 11.537 394 HB1 ALA 52 HB1 ALA 52 10.082 7.118 12.669 395 HB2 ALA 52 HB2 ALA 52 8.385 7.493 13.048 396 HB3 ALA 52 HB3 ALA 52 9.155 6.063 13.757 397 H LYS 53 H LYS 53 6.359 6.940 11.493 398 HA LYS 53 HA LYS 53 4.724 5.408 13.032 399 HB2 LYS 53 HB2 LYS 53 2.840 6.427 11.985 400 HB3 LYS 53 HB3 LYS 53 4.145 7.603 12.002 401 HG2 LYS 53 HG2 LYS 53 4.629 6.803 9.574 402 HG3 LYS 53 HG3 LYS 53 3.052 6.031 9.691 403 HD2 LYS 53 HD2 LYS 53 1.963 8.166 10.080 404 HD3 LYS 53 HD3 LYS 53 3.523 9.012 10.036 405 HE2 LYS 53 HE2 LYS 53 3.809 8.625 7.716 406 HE3 LYS 53 HE3 LYS 53 2.649 7.280 7.714 407 HZ1 LYS 53 HZ1 LYS 53 1.888 10.129 7.938 408 HZ2 LYS 53 HZ2 LYS 53 0.870 8.844 8.033 409 HZ3 LYS 53 HZ3 LYS 53 1.641 9.139 6.653 410 H LEU 54 H LEU 54 5.922 4.245 9.882 411 HA LEU 54 HA LEU 54 4.336 1.770 10.263 412 HB2 LEU 54 HB2 LEU 54 4.818 3.262 7.651 413 HB3 LEU 54 HB3 LEU 54 3.974 1.745 7.794 414 HG LEU 54 HG LEU 54 2.683 3.824 9.431 415 HD11 LEU 54 HD11 LEU 54 3.694 5.146 7.421 416 HD12 LEU 54 HD12 LEU 54 1.994 5.332 7.883 417 HD13 LEU 54 HD13 LEU 54 2.414 4.332 6.497 418 HD21 LEU 54 HD21 LEU 54 1.660 2.051 7.205 419 HD22 LEU 54 HD22 LEU 54 0.678 3.076 8.277 420 HD23 LEU 54 HD23 LEU 54 1.608 1.762 8.969 421 H ARG 55 H ARG 55 7.182 2.628 10.788 422 HA ARG 55 HA ARG 55 8.871 1.510 8.793 423 HB2 ARG 55 HB2 ARG 55 10.617 2.018 10.289 424 HB3 ARG 55 HB3 ARG 55 9.414 3.272 10.455 425 HG2 ARG 55 HG2 ARG 55 9.356 2.861 12.716 426 HG3 ARG 55 HG3 ARG 55 8.673 1.258 12.358 427 HD2 ARG 55 HD2 ARG 55 11.189 0.621 11.907 428 HD3 ARG 55 HD3 ARG 55 11.565 2.097 12.805 429 HE ARG 55 HE ARG 55 9.737 0.596 14.343 430 HH11 ARG 55 HH11 ARG 55 12.984 0.150 12.955 431 HH12 ARG 55 HH12 ARG 55 13.617 -0.705 14.315 432 HH21 ARG 55 HH21 ARG 55 10.434 -0.852 15.975 433 HH22 ARG 55 HH22 ARG 55 12.021 -1.508 15.990 434 H HIS 56 H HIS 56 6.873 -0.397 10.253 435 HA HIS 56 HA HIS 56 8.082 -2.406 11.700 436 HB2 HIS 56 HB2 HIS 56 5.819 -2.445 9.701 437 HB3 HIS 56 HB3 HIS 56 6.399 -3.956 10.386 438 HD1 HIS 56 HD1 HIS 56 5.269 -4.651 12.561 439 HD2 HIS 56 HD2 HIS 56 5.300 -0.479 11.904 440 HE1 HIS 56 HE1 HIS 56 4.140 -3.566 14.595 441 H GLU 57 H GLU 57 8.910 -4.430 11.321 442 HA GLU 57 HA GLU 57 11.167 -4.650 9.780 443 HB2 GLU 57 HB2 GLU 57 10.075 -5.918 11.866 444 HB3 GLU 57 HB3 GLU 57 9.607 -7.093 10.649 445 HG2 GLU 57 HG2 GLU 57 11.976 -7.418 10.047 446 HG3 GLU 57 HG3 GLU 57 12.458 -6.114 11.144 447 H GLN 58 H GLN 58 7.972 -5.119 8.616 448 HA GLN 58 HA GLN 58 8.810 -6.058 5.952 449 HB2 GLN 58 HB2 GLN 58 6.715 -7.340 7.787 450 HB3 GLN 58 HB3 GLN 58 6.801 -7.635 6.061 451 HG2 GLN 58 HG2 GLN 58 8.919 -8.811 6.264 452 HG3 GLN 58 HG3 GLN 58 9.102 -8.323 7.958 453 HE21 GLN 58 HE21 GLN 58 8.639 -11.180 6.468 454 HE22 GLN 58 HE22 GLN 58 7.388 -11.812 7.526 455 H ILE 59 H ILE 59 7.801 -4.801 4.530 456 HA ILE 59 HA ILE 59 5.325 -3.487 5.361 457 HB ILE 59 HB ILE 59 5.906 -1.433 4.847 458 HG12 ILE 59 HG12 ILE 59 8.722 -1.660 3.969 459 HG13 ILE 59 HG13 ILE 59 7.520 -2.238 2.816 460 HG21 ILE 59 HG21 ILE 59 6.892 -1.754 7.038 461 HG22 ILE 59 HG22 ILE 59 8.402 -2.342 6.298 462 HG23 ILE 59 HG23 ILE 59 7.963 -0.661 6.142 463 HD11 ILE 59 HD11 ILE 59 6.308 -0.031 3.062 464 HD12 ILE 59 HD12 ILE 59 7.739 0.519 3.976 465 HD13 ILE 59 HD13 ILE 59 7.902 0.018 2.290 466 H ILE 60 H ILE 60 4.552 -2.250 3.270 467 HA ILE 60 HA ILE 60 4.905 -3.806 0.789 468 HB ILE 60 HB ILE 60 2.300 -3.452 2.364 469 HG12 ILE 60 HG12 ILE 60 4.090 -5.784 1.722 470 HG13 ILE 60 HG13 ILE 60 3.298 -5.378 3.231 471 HG21 ILE 60 HG21 ILE 60 2.672 -4.583 -0.412 472 HG22 ILE 60 HG22 ILE 60 1.155 -4.474 0.503 473 HG23 ILE 60 HG23 ILE 60 1.904 -2.997 0.001 474 HD11 ILE 60 HD11 ILE 60 1.905 -6.539 0.761 475 HD12 ILE 60 HD12 ILE 60 2.445 -7.435 2.179 476 HD13 ILE 60 HD13 ILE 60 1.166 -6.215 2.365 477 H PHE 61 H PHE 61 4.211 -2.566 -1.059 478 HA PHE 61 HA PHE 61 3.624 0.325 -0.610 479 HB2 PHE 61 HB2 PHE 61 5.673 -1.173 -2.305 480 HB3 PHE 61 HB3 PHE 61 5.050 0.376 -2.883 481 HD1 PHE 61 HD1 PHE 61 4.812 2.073 -0.548 482 HD2 PHE 61 HD2 PHE 61 7.876 -0.732 -1.626 483 HE1 PHE 61 HE1 PHE 61 6.387 3.196 0.975 484 HE2 PHE 61 HE2 PHE 61 9.471 0.450 -0.195 485 HZ PHE 61 HZ PHE 61 8.769 2.501 1.047 486 H HIS 62 H HIS 62 1.761 1.015 -1.745 487 HA HIS 62 HA HIS 62 1.474 -0.151 -4.332 488 HB2 HIS 62 HB2 HIS 62 -0.032 -1.520 -2.465 489 HB3 HIS 62 HB3 HIS 62 -1.193 -0.361 -3.093 490 HD1 HIS 62 HD1 HIS 62 1.378 -1.423 -5.705 491 HD2 HIS 62 HD2 HIS 62 -2.269 -2.767 -4.077 492 HE1 HIS 62 HE1 HIS 62 0.520 -3.190 -7.268 493 H CYS 63 H CYS 63 -0.615 0.730 -5.500 494 HA CYS 63 HA CYS 63 -1.061 3.481 -4.878 495 HB2 CYS 63 HB2 CYS 63 -0.046 4.349 -7.027 496 HB3 CYS 63 HB3 CYS 63 1.123 3.762 -5.843 497 HG CYS 63 HG CYS 63 1.413 1.471 -6.760 498 H GLN 64 H GLN 64 -2.068 4.352 -7.367 499 HA GLN 64 HA GLN 64 -4.596 3.148 -7.422 500 HB2 GLN 64 HB2 GLN 64 -3.086 5.031 -9.245 501 HB3 GLN 64 HB3 GLN 64 -4.609 4.379 -9.773 502 HG2 GLN 64 HG2 GLN 64 -4.463 5.734 -7.084 503 HG3 GLN 64 HG3 GLN 64 -4.594 6.660 -8.587 504 HE21 GLN 64 HE21 GLN 64 -6.770 7.294 -8.851 505 HE22 GLN 64 HE22 GLN 64 -8.106 6.240 -8.543 506 H ALA 65 H ALA 65 -5.706 2.226 -9.224 507 HA ALA 65 HA ALA 65 -4.512 -0.238 -10.170 508 HB1 ALA 65 HB1 ALA 65 -7.256 1.002 -10.475 509 HB2 ALA 65 HB2 ALA 65 -6.818 -0.626 -11.032 510 HB3 ALA 65 HB3 ALA 65 -6.764 -0.260 -9.311 511 H GLY 66 H GLY 66 -2.925 1.253 -11.314 512 HA2 GLY 66 HA2 GLY 66 -2.973 0.820 -14.060 513 HA3 GLY 66 HA3 GLY 66 -3.717 2.416 -13.871 514 H LYS 67 H LYS 67 -2.141 3.199 -11.555 515 HA LYS 67 HA LYS 67 0.034 4.397 -12.805 516 HB2 LYS 67 HB2 LYS 67 -1.233 4.526 -10.265 517 HB3 LYS 67 HB3 LYS 67 0.461 4.284 -9.917 518 HG2 LYS 67 HG2 LYS 67 -0.702 6.478 -11.687 519 HG3 LYS 67 HG3 LYS 67 -0.144 6.664 -10.027 520 HD2 LYS 67 HD2 LYS 67 2.182 5.922 -10.840 521 HD3 LYS 67 HD3 LYS 67 1.536 6.075 -12.478 522 HE2 LYS 67 HE2 LYS 67 2.491 8.145 -12.172 523 HE3 LYS 67 HE3 LYS 67 0.796 8.463 -11.763 524 HZ1 LYS 67 HZ1 LYS 67 1.495 8.205 -9.382 525 HZ2 LYS 67 HZ2 LYS 67 2.268 9.433 -10.115 526 HZ3 LYS 67 HZ3 LYS 67 3.042 8.004 -9.892 527 H ARG 68 H ARG 68 0.043 1.189 -12.153 528 HA ARG 68 HA ARG 68 1.494 -0.429 -11.571 529 HB2 ARG 68 HB2 ARG 68 2.402 1.022 -13.994 530 HB3 ARG 68 HB3 ARG 68 3.567 -0.115 -13.327 531 HG2 ARG 68 HG2 ARG 68 0.717 -0.806 -14.165 532 HG3 ARG 68 HG3 ARG 68 2.211 -1.183 -15.034 533 HD2 ARG 68 HD2 ARG 68 2.922 -2.354 -12.782 534 HD3 ARG 68 HD3 ARG 68 1.195 -2.336 -12.422 535 HE ARG 68 HE ARG 68 2.626 -3.764 -14.599 536 HH11 ARG 68 HH11 ARG 68 -0.546 -3.231 -13.020 537 HH12 ARG 68 HH12 ARG 68 -1.046 -4.867 -13.246 538 HH21 ARG 68 HH21 ARG 68 1.814 -5.915 -15.020 539 HH22 ARG 68 HH22 ARG 68 0.179 -6.301 -14.654 540 H THR 69 H THR 69 2.175 -0.370 -9.576 541 HA THR 69 HA THR 69 3.910 1.394 -8.339 542 HB THR 69 HB THR 69 3.714 -1.546 -7.660 543 HG1 THR 69 HG1 THR 69 1.671 0.278 -7.966 544 HG21 THR 69 HG21 THR 69 4.813 -0.005 -6.002 545 HG22 THR 69 HG22 THR 69 3.374 -0.858 -5.413 546 HG23 THR 69 HG23 THR 69 3.268 0.878 -5.854 547 H SER 70 H SER 70 4.668 -1.377 -10.441 548 HA SER 70 HA SER 70 7.296 -1.895 -9.686 549 HB2 SER 70 HB2 SER 70 7.383 -2.764 -12.072 550 HB3 SER 70 HB3 SER 70 6.154 -3.445 -10.997 551 HG SER 70 HG SER 70 5.706 -2.547 -13.288 552 H ASN 71 H ASN 71 5.912 0.658 -11.541 553 HA ASN 71 HA ASN 71 7.689 1.726 -13.312 554 HB2 ASN 71 HB2 ASN 71 5.609 2.753 -12.843 555 HB3 ASN 71 HB3 ASN 71 6.106 3.217 -11.217 556 HD21 ASN 71 HD21 ASN 71 6.886 5.299 -10.995 557 HD22 ASN 71 HD22 ASN 71 7.510 6.254 -12.344 558 H ASN 72 H ASN 72 8.082 2.298 -9.827 559 HA ASN 72 HA ASN 72 10.971 2.824 -10.290 560 HB2 ASN 72 HB2 ASN 72 8.962 4.794 -9.212 561 HB3 ASN 72 HB3 ASN 72 10.519 4.690 -8.403 562 HD21 ASN 72 HD21 ASN 72 10.051 4.364 -11.987 563 HD22 ASN 72 HD22 ASN 72 10.824 5.873 -12.342 564 H ALA 73 H ALA 73 9.372 0.548 -9.393 565 HA ALA 73 HA ALA 73 9.228 0.337 -6.576 566 HB1 ALA 73 HB1 ALA 73 8.131 -1.258 -7.904 567 HB2 ALA 73 HB2 ALA 73 9.639 -1.753 -8.727 568 HB3 ALA 73 HB3 ALA 73 9.374 -2.134 -7.015 569 H ASP 74 H ASP 74 12.025 0.076 -8.704 570 HA ASP 74 HA ASP 74 13.849 -1.220 -6.967 571 HB2 ASP 74 HB2 ASP 74 14.227 0.856 -9.156 572 HB3 ASP 74 HB3 ASP 74 15.572 0.110 -8.294 573 H LYS 75 H LYS 75 13.050 2.237 -7.365 574 HA LYS 75 HA LYS 75 14.763 3.298 -5.381 575 HB2 LYS 75 HB2 LYS 75 12.831 4.195 -7.359 576 HB3 LYS 75 HB3 LYS 75 12.338 4.890 -5.828 577 HG2 LYS 75 HG2 LYS 75 15.119 5.135 -7.049 578 HG3 LYS 75 HG3 LYS 75 13.826 6.333 -7.206 579 HD2 LYS 75 HD2 LYS 75 13.761 6.591 -4.734 580 HD3 LYS 75 HD3 LYS 75 15.099 5.423 -4.605 581 HE2 LYS 75 HE2 LYS 75 16.489 6.924 -6.054 582 HE3 LYS 75 HE3 LYS 75 15.191 8.121 -6.068 583 HZ1 LYS 75 HZ1 LYS 75 16.360 7.165 -3.542 584 HZ2 LYS 75 HZ2 LYS 75 15.607 8.607 -3.809 585 HZ3 LYS 75 HZ3 LYS 75 17.121 8.307 -4.415 586 H LEU 76 H LEU 76 11.290 2.421 -5.418 587 HA LEU 76 HA LEU 76 10.634 3.161 -2.766 588 HB2 LEU 76 HB2 LEU 76 9.506 0.838 -4.376 589 HB3 LEU 76 HB3 LEU 76 8.823 1.468 -2.890 590 HG LEU 76 HG LEU 76 9.044 3.100 -5.431 591 HD11 LEU 76 HD11 LEU 76 6.592 1.774 -4.202 592 HD12 LEU 76 HD12 LEU 76 7.464 1.142 -5.608 593 HD13 LEU 76 HD13 LEU 76 6.679 2.712 -5.715 594 HD21 LEU 76 HD21 LEU 76 7.667 3.599 -2.756 595 HD22 LEU 76 HD22 LEU 76 7.379 4.558 -4.219 596 HD23 LEU 76 HD23 LEU 76 8.988 4.547 -3.475 597 H ALA 77 H ALA 77 11.899 0.037 -3.961 598 HA ALA 77 HA ALA 77 11.823 -1.405 -1.556 599 HB1 ALA 77 HB1 ALA 77 13.630 -1.566 -3.976 600 HB2 ALA 77 HB2 ALA 77 13.775 -2.685 -2.602 601 HB3 ALA 77 HB3 ALA 77 12.272 -2.590 -3.522 602 H ALA 78 H ALA 78 14.619 0.469 -2.900 603 HA ALA 78 HA ALA 78 16.303 0.192 -0.661 604 HB1 ALA 78 HB1 ALA 78 17.084 1.004 -2.851 605 HB2 ALA 78 HB2 ALA 78 16.134 2.498 -2.656 606 HB3 ALA 78 HB3 ALA 78 17.499 2.160 -1.572 607 H ILE 79 H ILE 79 13.750 2.560 -1.307 608 HA ILE 79 HA ILE 79 14.246 4.384 0.794 609 HB ILE 79 HB ILE 79 12.055 3.719 -1.096 610 HG12 ILE 79 HG12 ILE 79 13.258 6.360 -0.258 611 HG13 ILE 79 HG13 ILE 79 13.970 5.276 -1.465 612 HG21 ILE 79 HG21 ILE 79 10.697 3.884 0.929 613 HG22 ILE 79 HG22 ILE 79 11.388 5.503 1.255 614 HG23 ILE 79 HG23 ILE 79 10.402 5.184 -0.196 615 HD11 ILE 79 HD11 ILE 79 11.883 5.421 -2.818 616 HD12 ILE 79 HD12 ILE 79 11.252 6.619 -1.668 617 HD13 ILE 79 HD13 ILE 79 12.702 6.990 -2.607 618 H ALA 80 H ALA 80 12.558 1.202 0.914 619 HA ALA 80 HA ALA 80 11.998 1.761 3.822 620 HB1 ALA 80 HB1 ALA 80 10.223 0.143 3.550 621 HB2 ALA 80 HB2 ALA 80 10.046 1.616 2.584 622 HB3 ALA 80 HB3 ALA 80 10.559 0.130 1.783 623 H ALA 81 H ALA 81 14.228 0.129 1.905 624 HA ALA 81 HA ALA 81 14.488 -2.349 3.268 625 HB1 ALA 81 HB1 ALA 81 16.845 -2.243 2.356 626 HB2 ALA 81 HB2 ALA 81 15.619 -1.853 1.136 627 HB3 ALA 81 HB3 ALA 81 16.567 -0.558 1.904 628 HA PRO 82 HA PRO 82 16.835 -3.482 4.138 629 HB2 PRO 82 HB2 PRO 82 17.315 -4.740 6.502 630 HB3 PRO 82 HB3 PRO 82 18.457 -3.595 5.747 631 HG2 PRO 82 HG2 PRO 82 16.390 -3.024 7.906 632 HG3 PRO 82 HG3 PRO 82 18.141 -2.616 7.914 633 HD2 PRO 82 HD2 PRO 82 16.265 -0.805 7.154 634 HD3 PRO 82 HD3 PRO 82 17.826 -0.915 6.289 635 H ALA 83 H ALA 83 13.901 -2.591 5.722 636 HA ALA 83 HA ALA 83 12.895 -5.182 6.367 637 HB1 ALA 83 HB1 ALA 83 10.675 -4.070 6.240 638 HB2 ALA 83 HB2 ALA 83 11.832 -3.080 7.144 639 HB3 ALA 83 HB3 ALA 83 11.410 -2.668 5.463 640 H GLU 84 H GLU 84 11.143 -6.318 5.151 641 HA GLU 84 HA GLU 84 11.853 -6.600 2.305 642 HB2 GLU 84 HB2 GLU 84 10.191 -8.160 4.322 643 HB3 GLU 84 HB3 GLU 84 10.086 -8.498 2.605 644 HG2 GLU 84 HG2 GLU 84 12.613 -8.616 4.314 645 HG3 GLU 84 HG3 GLU 84 11.697 -9.983 3.680 646 H ILE 85 H ILE 85 10.596 -5.890 0.637 647 HA ILE 85 HA ILE 85 8.063 -4.470 1.263 648 HB ILE 85 HB ILE 85 10.467 -3.887 -0.449 649 HG12 ILE 85 HG12 ILE 85 10.224 -1.673 0.206 650 HG13 ILE 85 HG13 ILE 85 8.616 -1.947 0.894 651 HG21 ILE 85 HG21 ILE 85 7.727 -2.900 -1.290 652 HG22 ILE 85 HG22 ILE 85 9.314 -2.385 -1.947 653 HG23 ILE 85 HG23 ILE 85 8.746 -4.028 -2.200 654 HD11 ILE 85 HD11 ILE 85 10.549 -1.855 2.591 655 HD12 ILE 85 HD12 ILE 85 9.534 -3.268 2.675 656 HD13 ILE 85 HD13 ILE 85 11.143 -3.338 1.877 657 H PHE 86 H PHE 86 6.279 -4.714 -0.139 658 HA PHE 86 HA PHE 86 6.484 -6.710 -2.278 659 HB2 PHE 86 HB2 PHE 86 4.324 -6.815 -0.124 660 HB3 PHE 86 HB3 PHE 86 4.443 -7.865 -1.501 661 HD1 PHE 86 HD1 PHE 86 6.230 -6.933 1.668 662 HD2 PHE 86 HD2 PHE 86 5.605 -9.930 -1.354 663 HE1 PHE 86 HE1 PHE 86 7.758 -8.437 2.871 664 HE2 PHE 86 HE2 PHE 86 7.149 -11.454 -0.143 665 HZ PHE 86 HZ PHE 86 8.288 -10.672 1.936 666 H LEU 87 H LEU 87 4.653 -6.849 -3.660 667 HA LEU 87 HA LEU 87 3.197 -4.272 -4.080 668 HB2 LEU 87 HB2 LEU 87 4.371 -6.161 -6.144 669 HB3 LEU 87 HB3 LEU 87 3.566 -4.632 -6.480 670 HG LEU 87 HG LEU 87 6.228 -4.911 -4.981 671 HD11 LEU 87 HD11 LEU 87 7.291 -4.192 -7.104 672 HD12 LEU 87 HD12 LEU 87 5.727 -4.319 -7.932 673 HD13 LEU 87 HD13 LEU 87 6.508 -5.761 -7.240 674 HD21 LEU 87 HD21 LEU 87 5.133 -2.467 -6.400 675 HD22 LEU 87 HD22 LEU 87 6.553 -2.574 -5.356 676 HD23 LEU 87 HD23 LEU 87 4.939 -2.743 -4.639 677 H LEU 88 H LEU 88 1.108 -4.818 -3.572 678 HA LEU 88 HA LEU 88 -0.038 -7.408 -3.493 679 HB2 LEU 88 HB2 LEU 88 -0.819 -4.718 -2.814 680 HB3 LEU 88 HB3 LEU 88 -2.042 -5.286 -3.897 681 HG LEU 88 HG LEU 88 -1.242 -6.633 -1.300 682 HD11 LEU 88 HD11 LEU 88 -3.454 -6.121 -0.520 683 HD12 LEU 88 HD12 LEU 88 -4.030 -5.687 -2.132 684 HD13 LEU 88 HD13 LEU 88 -2.901 -4.626 -1.257 685 HD21 LEU 88 HD21 LEU 88 -1.785 -8.473 -2.830 686 HD22 LEU 88 HD22 LEU 88 -3.258 -7.635 -3.350 687 HD23 LEU 88 HD23 LEU 88 -3.106 -8.243 -1.690 688 H GLU 89 H GLU 89 0.513 -5.631 -6.208 689 HA GLU 89 HA GLU 89 -0.006 -5.792 -8.407 690 HB2 GLU 89 HB2 GLU 89 -0.026 -8.377 -7.720 691 HB3 GLU 89 HB3 GLU 89 -1.758 -8.213 -8.095 692 HG2 GLU 89 HG2 GLU 89 -0.951 -7.081 -10.309 693 HG3 GLU 89 HG3 GLU 89 0.650 -7.633 -9.846 694 H ASP 90 H ASP 90 -1.819 -5.519 -9.985 695 HA ASP 90 HA ASP 90 -3.636 -4.385 -10.695 696 HB2 ASP 90 HB2 ASP 90 -4.893 -5.907 -8.426 697 HB3 ASP 90 HB3 ASP 90 -5.819 -5.030 -9.636 698 H GLY 91 H GLY 91 -2.374 -3.301 -7.744 699 HA2 GLY 91 HA2 GLY 91 -2.369 -1.126 -6.970 700 HA3 GLY 91 HA3 GLY 91 -3.473 -0.648 -8.259 701 H ILE 92 H ILE 92 -5.565 -0.190 -7.588 702 HA ILE 92 HA ILE 92 -6.255 -0.990 -4.798 703 HB ILE 92 HB ILE 92 -6.681 1.392 -5.589 704 HG12 ILE 92 HG12 ILE 92 -9.056 1.347 -4.447 705 HG13 ILE 92 HG13 ILE 92 -8.736 -0.378 -4.218 706 HG21 ILE 92 HG21 ILE 92 -9.104 0.130 -6.911 707 HG22 ILE 92 HG22 ILE 92 -8.800 1.865 -6.673 708 HG23 ILE 92 HG23 ILE 92 -7.757 0.948 -7.764 709 HD11 ILE 92 HD11 ILE 92 -6.638 0.184 -3.108 710 HD12 ILE 92 HD12 ILE 92 -7.061 1.910 -3.224 711 HD13 ILE 92 HD13 ILE 92 -8.068 0.784 -2.271 712 H ASP 93 H ASP 93 -7.027 -1.750 -8.100 713 HA ASP 93 HA ASP 93 -9.417 -3.212 -7.749 714 HB2 ASP 93 HB2 ASP 93 -8.594 -2.426 -9.911 715 HB3 ASP 93 HB3 ASP 93 -7.144 -3.372 -9.753 716 H GLY 94 H GLY 94 -6.045 -3.972 -7.016 717 HA2 GLY 94 HA2 GLY 94 -6.168 -6.789 -6.801 718 HA3 GLY 94 HA3 GLY 94 -5.026 -5.721 -5.978 719 H TRP 95 H TRP 95 -6.732 -4.168 -4.339 720 HA TRP 95 HA TRP 95 -7.065 -5.867 -2.146 721 HB2 TRP 95 HB2 TRP 95 -6.880 -3.485 -1.891 722 HB3 TRP 95 HB3 TRP 95 -8.403 -3.213 -2.721 723 HD1 TRP 95 HD1 TRP 95 -9.939 -2.385 -0.964 724 HE1 TRP 95 HE1 TRP 95 -10.865 -3.239 1.299 725 HE3 TRP 95 HE3 TRP 95 -6.896 -6.436 -0.149 726 HZ2 TRP 95 HZ2 TRP 95 -9.932 -4.890 3.456 727 HZ3 TRP 95 HZ3 TRP 95 -6.980 -7.647 1.987 728 HH2 TRP 95 HH2 TRP 95 -8.458 -6.858 3.827 729 H LYS 96 H LYS 96 -9.524 -4.422 -4.345 730 HA LYS 96 HA LYS 96 -11.768 -5.909 -3.450 731 HB2 LYS 96 HB2 LYS 96 -11.905 -3.741 -4.608 732 HB3 LYS 96 HB3 LYS 96 -11.313 -4.481 -6.106 733 HG2 LYS 96 HG2 LYS 96 -13.294 -5.875 -6.268 734 HG3 LYS 96 HG3 LYS 96 -13.864 -5.354 -4.672 735 HD2 LYS 96 HD2 LYS 96 -14.361 -3.141 -5.493 736 HD3 LYS 96 HD3 LYS 96 -13.490 -3.450 -7.017 737 HE2 LYS 96 HE2 LYS 96 -15.083 -5.324 -7.504 738 HE3 LYS 96 HE3 LYS 96 -16.017 -4.885 -6.064 739 HZ1 LYS 96 HZ1 LYS 96 -15.558 -3.107 -8.394 740 HZ2 LYS 96 HZ2 LYS 96 -16.510 -2.781 -7.086 741 HZ3 LYS 96 HZ3 LYS 96 -16.906 -4.000 -8.115 742 H LYS 97 H LYS 97 -9.185 -6.932 -5.583 743 HA LYS 97 HA LYS 97 -10.527 -8.835 -7.175 744 HB2 LYS 97 HB2 LYS 97 -7.983 -7.957 -6.996 745 HB3 LYS 97 HB3 LYS 97 -7.798 -9.423 -6.056 746 HG2 LYS 97 HG2 LYS 97 -8.694 -9.148 -8.946 747 HG3 LYS 97 HG3 LYS 97 -7.114 -9.695 -8.371 748 HD2 LYS 97 HD2 LYS 97 -8.350 -11.622 -7.201 749 HD3 LYS 97 HD3 LYS 97 -9.771 -11.124 -8.123 750 HE2 LYS 97 HE2 LYS 97 -7.135 -12.203 -9.180 751 HE3 LYS 97 HE3 LYS 97 -8.739 -12.928 -9.302 752 HZ1 LYS 97 HZ1 LYS 97 -9.327 -10.952 -10.730 753 HZ2 LYS 97 HZ2 LYS 97 -8.209 -11.977 -11.358 754 HZ3 LYS 97 HZ3 LYS 97 -7.712 -10.565 -10.741 755 H ALA 98 H ALA 98 -9.258 -9.000 -3.854 756 HA ALA 98 HA ALA 98 -10.026 -11.784 -3.425 757 HB1 ALA 98 HB1 ALA 98 -9.024 -9.589 -1.594 758 HB2 ALA 98 HB2 ALA 98 -9.200 -11.302 -1.130 759 HB3 ALA 98 HB3 ALA 98 -8.036 -10.831 -2.374 760 H GLY 99 H GLY 99 -12.116 -9.384 -3.985 761 HA2 GLY 99 HA2 GLY 99 -14.249 -8.971 -3.411 762 HA3 GLY 99 HA3 GLY 99 -14.242 -10.477 -2.480 763 H LEU 100 H LEU 100 -11.969 -7.795 -1.701 764 HA LEU 100 HA LEU 100 -13.397 -7.417 0.844 765 HB2 LEU 100 HB2 LEU 100 -10.524 -7.095 -0.009 766 HB3 LEU 100 HB3 LEU 100 -11.183 -6.492 1.510 767 HG LEU 100 HG LEU 100 -11.824 -9.348 0.954 768 HD11 LEU 100 HD11 LEU 100 -9.098 -8.921 2.084 769 HD12 LEU 100 HD12 LEU 100 -9.271 -8.816 0.351 770 HD13 LEU 100 HD13 LEU 100 -9.780 -10.299 1.180 771 HD21 LEU 100 HD21 LEU 100 -11.555 -9.543 3.329 772 HD22 LEU 100 HD22 LEU 100 -12.419 -8.029 3.035 773 HD23 LEU 100 HD23 LEU 100 -10.699 -7.977 3.444 774 HA PRO 101 HA PRO 101 -14.043 -3.384 -1.069 775 HB2 PRO 101 HB2 PRO 101 -15.728 -2.291 0.765 776 HB3 PRO 101 HB3 PRO 101 -16.247 -3.624 -0.312 777 HG2 PRO 101 HG2 PRO 101 -15.389 -3.775 2.575 778 HG3 PRO 101 HG3 PRO 101 -16.740 -4.631 1.767 779 HD2 PRO 101 HD2 PRO 101 -14.186 -5.698 2.251 780 HD3 PRO 101 HD3 PRO 101 -15.284 -6.320 0.995 781 H VAL 102 H VAL 102 -13.263 -1.195 -0.574 782 HA VAL 102 HA VAL 102 -11.000 -1.010 1.205 783 HB VAL 102 HB VAL 102 -11.330 1.467 0.331 784 HG11 VAL 102 HG11 VAL 102 -10.317 1.048 -1.799 785 HG12 VAL 102 HG12 VAL 102 -9.646 -0.092 -0.624 786 HG13 VAL 102 HG13 VAL 102 -10.865 -0.634 -1.811 787 HG21 VAL 102 HG21 VAL 102 -13.093 0.142 -1.780 788 HG22 VAL 102 HG22 VAL 102 -13.776 0.998 -0.396 789 HG23 VAL 102 HG23 VAL 102 -12.741 1.844 -1.565 790 H ALA 103 H ALA 103 -10.963 1.031 2.773 791 HA ALA 103 HA ALA 103 -13.262 0.751 4.518 792 HB1 ALA 103 HB1 ALA 103 -11.034 2.784 4.857 793 HB2 ALA 103 HB2 ALA 103 -12.090 2.085 6.075 794 HB3 ALA 103 HB3 ALA 103 -10.855 1.076 5.300 795 H VAL 104 H VAL 104 -14.811 1.489 2.769 796 HA VAL 104 HA VAL 104 -14.864 4.391 2.229 797 HB VAL 104 HB VAL 104 -17.141 3.797 1.218 798 HG11 VAL 104 HG11 VAL 104 -15.939 2.742 -0.829 799 HG12 VAL 104 HG12 VAL 104 -15.464 4.351 -0.260 800 HG13 VAL 104 HG13 VAL 104 -14.467 2.956 0.152 801 HG21 VAL 104 HG21 VAL 104 -17.432 1.533 2.276 802 HG22 VAL 104 HG22 VAL 104 -17.573 1.528 0.517 803 HG23 VAL 104 HG23 VAL 104 -16.087 0.932 1.273 804 H ASN 105 H ASN 105 -16.062 5.831 3.327 805 HA ASN 105 HA ASN 105 -16.894 5.154 5.992 806 HB2 ASN 105 HB2 ASN 105 -15.947 7.384 5.064 807 HB3 ASN 105 HB3 ASN 105 -17.606 7.686 4.527 808 HD21 ASN 105 HD21 ASN 105 -18.740 8.915 5.920 809 HD22 ASN 105 HD22 ASN 105 -18.600 8.856 7.670 810 H LYS 106 H LYS 106 -18.536 4.834 3.007 811 HA LYS 106 HA LYS 106 -21.040 4.114 4.283 812 HB2 LYS 106 HB2 LYS 106 -21.228 6.606 3.680 813 HB3 LYS 106 HB3 LYS 106 -20.973 6.150 1.993 814 HG2 LYS 106 HG2 LYS 106 -22.965 4.641 2.124 815 HG3 LYS 106 HG3 LYS 106 -23.239 5.143 3.793 816 HD2 LYS 106 HD2 LYS 106 -23.211 7.057 1.416 817 HD3 LYS 106 HD3 LYS 106 -24.660 6.260 2.040 818 HE2 LYS 106 HE2 LYS 106 -24.398 7.312 4.224 819 HE3 LYS 106 HE3 LYS 106 -22.888 8.085 3.711 820 HZ1 LYS 106 HZ1 LYS 106 -25.500 8.559 2.405 821 HZ2 LYS 106 HZ2 LYS 106 -24.080 9.380 2.147 822 HZ3 LYS 106 HZ3 LYS 106 -24.881 9.511 3.586 823 H SER 107 H SER 107 -21.827 2.348 3.096 824 HA SER 107 HA SER 107 -20.238 0.872 1.375 825 HB2 SER 107 HB2 SER 107 -22.221 0.086 2.675 826 HB3 SER 107 HB3 SER 107 -23.287 0.967 1.595 827 HG SER 107 HG SER 107 -23.111 -1.209 1.050 828 H GLN 108 H GLN 108 -23.161 2.787 0.437 829 HA GLN 108 HA GLN 108 -22.120 3.460 -2.178 830 HB2 GLN 108 HB2 GLN 108 -23.353 1.183 -2.267 831 HB3 GLN 108 HB3 GLN 108 -24.791 2.033 -1.681 832 HG2 GLN 108 HG2 GLN 108 -24.619 3.554 -3.686 833 HG3 GLN 108 HG3 GLN 108 -23.294 2.561 -4.284 834 HE21 GLN 108 HE21 GLN 108 -24.745 -0.044 -3.226 835 HE22 GLN 108 HE22 GLN 108 -25.848 -0.308 -4.539 Start of MODEL 5 1 H ALA 1 H ALA 1 14.993 -7.705 -2.780 2 HA ALA 1 HA ALA 1 13.662 -7.642 -0.740 3 HB1 ALA 1 HB1 ALA 1 15.132 -6.146 0.524 4 HB2 ALA 1 HB2 ALA 1 14.721 -4.796 -0.557 5 HB3 ALA 1 HB3 ALA 1 13.479 -5.511 0.491 6 H LEU 2 H LEU 2 12.641 -8.056 -3.065 7 HA LEU 2 HA LEU 2 10.472 -6.125 -3.334 8 HB2 LEU 2 HB2 LEU 2 12.438 -6.736 -5.594 9 HB3 LEU 2 HB3 LEU 2 10.791 -6.201 -5.883 10 HG LEU 2 HG LEU 2 12.953 -4.584 -4.481 11 HD11 LEU 2 HD11 LEU 2 11.534 -4.180 -7.146 12 HD12 LEU 2 HD12 LEU 2 13.166 -4.827 -6.940 13 HD13 LEU 2 HD13 LEU 2 12.822 -3.163 -6.457 14 HD21 LEU 2 HD21 LEU 2 11.259 -2.732 -4.666 15 HD22 LEU 2 HD22 LEU 2 10.833 -3.956 -3.492 16 HD23 LEU 2 HD23 LEU 2 10.020 -3.942 -5.077 17 H THR 3 H THR 3 8.736 -7.455 -3.300 18 HA THR 3 HA THR 3 8.773 -9.929 -4.968 19 HB THR 3 HB THR 3 7.982 -9.666 -2.045 20 HG1 THR 3 HG1 THR 3 9.783 -11.584 -2.949 21 HG21 THR 3 HG21 THR 3 6.393 -11.215 -2.967 22 HG22 THR 3 HG22 THR 3 7.642 -12.181 -2.187 23 HG23 THR 3 HG23 THR 3 7.641 -12.020 -3.949 24 H THR 4 H THR 4 6.621 -10.710 -5.549 25 HA THR 4 HA THR 4 4.490 -8.648 -5.493 26 HB THR 4 HB THR 4 3.917 -10.398 -7.600 27 HG1 THR 4 HG1 THR 4 5.727 -10.328 -8.903 28 HG21 THR 4 HG21 THR 4 5.333 -7.699 -7.723 29 HG22 THR 4 HG22 THR 4 3.576 -7.950 -7.550 30 HG23 THR 4 HG23 THR 4 4.394 -8.459 -9.031 31 H ILE 5 H ILE 5 2.772 -9.199 -4.324 32 HA ILE 5 HA ILE 5 2.340 -12.039 -3.564 33 HB ILE 5 HB ILE 5 3.137 -10.936 -1.650 34 HG12 ILE 5 HG12 ILE 5 0.112 -10.971 -1.407 35 HG13 ILE 5 HG13 ILE 5 1.177 -12.383 -1.357 36 HG21 ILE 5 HG21 ILE 5 2.305 -8.828 -0.725 37 HG22 ILE 5 HG22 ILE 5 2.855 -8.555 -2.364 38 HG23 ILE 5 HG23 ILE 5 1.114 -8.692 -2.039 39 HD11 ILE 5 HD11 ILE 5 0.940 -10.125 0.637 40 HD12 ILE 5 HD12 ILE 5 0.847 -11.884 0.880 41 HD13 ILE 5 HD13 ILE 5 2.413 -11.122 0.571 42 H SER 6 H SER 6 0.237 -12.801 -3.894 43 HA SER 6 HA SER 6 -1.371 -11.275 -5.733 44 HB2 SER 6 HB2 SER 6 -2.199 -13.710 -4.108 45 HB3 SER 6 HB3 SER 6 -2.905 -13.138 -5.623 46 HG SER 6 HG SER 6 -0.691 -13.518 -6.519 47 HA PRO 7 HA PRO 7 -3.727 -9.158 -2.519 48 HB2 PRO 7 HB2 PRO 7 -5.763 -8.104 -3.923 49 HB3 PRO 7 HB3 PRO 7 -4.090 -7.600 -4.271 50 HG2 PRO 7 HG2 PRO 7 -5.705 -9.692 -5.727 51 HG3 PRO 7 HG3 PRO 7 -4.773 -8.335 -6.441 52 HD2 PRO 7 HD2 PRO 7 -3.727 -10.846 -6.237 53 HD3 PRO 7 HD3 PRO 7 -2.721 -9.381 -6.024 54 H HIS 8 H HIS 8 -3.869 -11.466 -1.935 55 HA HIS 8 HA HIS 8 -6.604 -12.287 -1.244 56 HB2 HIS 8 HB2 HIS 8 -6.181 -13.351 -3.370 57 HB3 HIS 8 HB3 HIS 8 -4.628 -13.982 -2.830 58 HD1 HIS 8 HD1 HIS 8 -8.425 -14.584 -2.202 59 HD2 HIS 8 HD2 HIS 8 -4.610 -16.338 -1.693 60 HE1 HIS 8 HE1 HIS 8 -8.827 -16.947 -1.391 61 H ASP 9 H ASP 9 -3.113 -12.256 -0.829 62 HA ASP 9 HA ASP 9 -3.329 -13.794 1.740 63 HB2 ASP 9 HB2 ASP 9 -1.196 -13.529 -0.312 64 HB3 ASP 9 HB3 ASP 9 -0.634 -13.429 1.354 65 H ALA 10 H ALA 10 -2.425 -10.636 0.368 66 HA ALA 10 HA ALA 10 -1.130 -9.615 2.620 67 HB1 ALA 10 HB1 ALA 10 -2.966 -8.071 0.755 68 HB2 ALA 10 HB2 ALA 10 -1.620 -7.406 1.698 69 HB3 ALA 10 HB3 ALA 10 -1.281 -8.514 0.355 70 H GLN 11 H GLN 11 -4.640 -10.025 2.256 71 HA GLN 11 HA GLN 11 -5.500 -8.320 4.306 72 HB2 GLN 11 HB2 GLN 11 -6.909 -9.716 2.703 73 HB3 GLN 11 HB3 GLN 11 -6.436 -11.140 3.604 74 HG2 GLN 11 HG2 GLN 11 -7.574 -9.548 5.581 75 HG3 GLN 11 HG3 GLN 11 -8.493 -9.105 4.160 76 HE21 GLN 11 HE21 GLN 11 -7.940 -11.632 6.571 77 HE22 GLN 11 HE22 GLN 11 -8.995 -12.828 5.870 78 H GLU 12 H GLU 12 -3.688 -11.399 4.511 79 HA GLU 12 HA GLU 12 -4.337 -11.929 7.256 80 HB2 GLU 12 HB2 GLU 12 -3.856 -13.537 5.256 81 HB3 GLU 12 HB3 GLU 12 -2.163 -13.102 5.461 82 HG2 GLU 12 HG2 GLU 12 -3.042 -13.752 8.038 83 HG3 GLU 12 HG3 GLU 12 -3.886 -14.892 7.008 84 H LEU 13 H LEU 13 -1.220 -11.335 5.581 85 HA LEU 13 HA LEU 13 0.285 -10.858 7.854 86 HB2 LEU 13 HB2 LEU 13 1.865 -9.662 6.259 87 HB3 LEU 13 HB3 LEU 13 1.527 -11.361 6.018 88 HG LEU 13 HG LEU 13 -0.238 -9.559 4.505 89 HD11 LEU 13 HD11 LEU 13 1.383 -9.038 2.748 90 HD12 LEU 13 HD12 LEU 13 2.695 -9.689 3.750 91 HD13 LEU 13 HD13 LEU 13 1.809 -8.249 4.274 92 HD21 LEU 13 HD21 LEU 13 1.531 -11.901 3.654 93 HD22 LEU 13 HD22 LEU 13 0.127 -11.266 2.803 94 HD23 LEU 13 HD23 LEU 13 -0.081 -12.113 4.333 95 H ILE 14 H ILE 14 -1.542 -8.337 6.045 96 HA ILE 14 HA ILE 14 -0.367 -6.099 7.318 97 HB ILE 14 HB ILE 14 -2.634 -6.762 5.669 98 HG12 ILE 14 HG12 ILE 14 -1.813 -3.930 5.698 99 HG13 ILE 14 HG13 ILE 14 -0.471 -5.049 5.508 100 HG21 ILE 14 HG21 ILE 14 -3.408 -4.636 7.607 101 HG22 ILE 14 HG22 ILE 14 -4.233 -4.979 6.060 102 HG23 ILE 14 HG23 ILE 14 -4.160 -6.225 7.348 103 HD11 ILE 14 HD11 ILE 14 -1.482 -6.131 3.614 104 HD12 ILE 14 HD12 ILE 14 -2.972 -5.174 3.790 105 HD13 ILE 14 HD13 ILE 14 -1.450 -4.376 3.331 106 H ALA 15 H ALA 15 -3.035 -8.157 8.386 107 HA ALA 15 HA ALA 15 -3.369 -6.689 10.893 108 HB1 ALA 15 HB1 ALA 15 -4.598 -9.211 9.681 109 HB2 ALA 15 HB2 ALA 15 -5.075 -8.533 11.261 110 HB3 ALA 15 HB3 ALA 15 -5.323 -7.586 9.795 111 H ARG 16 H ARG 16 -0.857 -8.602 10.019 112 HA ARG 16 HA ARG 16 -0.650 -9.793 12.763 113 HB2 ARG 16 HB2 ARG 16 0.120 -11.147 10.164 114 HB3 ARG 16 HB3 ARG 16 0.341 -11.815 11.790 115 HG2 ARG 16 HG2 ARG 16 -2.061 -11.958 12.150 116 HG3 ARG 16 HG3 ARG 16 -2.391 -11.088 10.656 117 HD2 ARG 16 HD2 ARG 16 -2.761 -13.350 10.158 118 HD3 ARG 16 HD3 ARG 16 -1.252 -12.928 9.356 119 HE ARG 16 HE ARG 16 -1.744 -14.878 11.449 120 HH11 ARG 16 HH11 ARG 16 0.817 -13.245 9.609 121 HH12 ARG 16 HH12 ARG 16 2.048 -14.352 10.105 122 HH21 ARG 16 HH21 ARG 16 -0.326 -16.426 11.741 123 HH22 ARG 16 HH22 ARG 16 1.357 -16.311 11.272 124 H GLY 17 H GLY 17 0.826 -7.549 10.826 125 HA2 GLY 17 HA2 GLY 17 2.938 -6.942 12.304 126 HA3 GLY 17 HA3 GLY 17 3.600 -8.364 11.495 127 H ALA 18 H ALA 18 2.001 -7.618 8.928 128 HA ALA 18 HA ALA 18 4.150 -5.997 7.823 129 HB1 ALA 18 HB1 ALA 18 3.096 -7.808 6.535 130 HB2 ALA 18 HB2 ALA 18 1.553 -6.920 6.529 131 HB3 ALA 18 HB3 ALA 18 2.969 -6.258 5.698 132 H LYS 19 H LYS 19 3.504 -4.125 6.319 133 HA LYS 19 HA LYS 19 1.330 -2.375 7.278 134 HB2 LYS 19 HB2 LYS 19 4.337 -2.014 7.619 135 HB3 LYS 19 HB3 LYS 19 3.399 -0.625 7.204 136 HG2 LYS 19 HG2 LYS 19 2.987 -2.314 9.709 137 HG3 LYS 19 HG3 LYS 19 3.842 -0.782 9.604 138 HD2 LYS 19 HD2 LYS 19 1.908 0.212 10.178 139 HD3 LYS 19 HD3 LYS 19 1.409 -0.085 8.520 140 HE2 LYS 19 HE2 LYS 19 -0.382 -0.815 9.776 141 HE3 LYS 19 HE3 LYS 19 0.426 -2.294 9.266 142 HZ1 LYS 19 HZ1 LYS 19 0.783 -1.050 11.941 143 HZ2 LYS 19 HZ2 LYS 19 1.322 -2.538 11.429 144 HZ3 LYS 19 HZ3 LYS 19 -0.259 -2.299 11.554 145 H LEU 20 H LEU 20 0.586 -1.075 5.435 146 HA LEU 20 HA LEU 20 2.177 -1.370 2.932 147 HB2 LEU 20 HB2 LEU 20 0.207 -2.615 2.677 148 HB3 LEU 20 HB3 LEU 20 -0.753 -1.438 3.524 149 HG LEU 20 HG LEU 20 -0.403 0.181 1.601 150 HD11 LEU 20 HD11 LEU 20 1.546 -0.925 0.560 151 HD12 LEU 20 HD12 LEU 20 0.211 -0.554 -0.504 152 HD13 LEU 20 HD13 LEU 20 0.468 -2.239 0.031 153 HD21 LEU 20 HD21 LEU 20 -2.122 -0.916 0.241 154 HD22 LEU 20 HD22 LEU 20 -2.432 -1.063 1.989 155 HD23 LEU 20 HD23 LEU 20 -1.823 -2.452 1.108 156 H ILE 21 H ILE 21 2.487 0.471 1.666 157 HA ILE 21 HA ILE 21 1.794 3.075 2.944 158 HB ILE 21 HB ILE 21 4.096 2.664 1.048 159 HG12 ILE 21 HG12 ILE 21 4.615 1.131 2.843 160 HG13 ILE 21 HG13 ILE 21 5.712 2.498 2.823 161 HG21 ILE 21 HG21 ILE 21 3.328 4.966 1.419 162 HG22 ILE 21 HG22 ILE 21 3.486 4.755 3.168 163 HG23 ILE 21 HG23 ILE 21 4.932 4.738 2.132 164 HD11 ILE 21 HD11 ILE 21 3.308 2.327 4.666 165 HD12 ILE 21 HD12 ILE 21 4.927 1.736 5.089 166 HD13 ILE 21 HD13 ILE 21 4.665 3.467 4.771 167 H ASP 22 H ASP 22 0.459 4.335 1.761 168 HA ASP 22 HA ASP 22 -0.243 3.517 -0.978 169 HB2 ASP 22 HB2 ASP 22 -1.568 4.937 1.237 170 HB3 ASP 22 HB3 ASP 22 -1.704 5.827 -0.261 171 H ILE 23 H ILE 23 1.767 4.051 -1.954 172 HA ILE 23 HA ILE 23 2.753 6.808 -1.709 173 HB ILE 23 HB ILE 23 4.609 6.151 -3.107 174 HG12 ILE 23 HG12 ILE 23 4.881 3.481 -3.232 175 HG13 ILE 23 HG13 ILE 23 3.139 3.508 -3.454 176 HG21 ILE 23 HG21 ILE 23 5.653 4.711 -1.474 177 HG22 ILE 23 HG22 ILE 23 4.618 5.885 -0.661 178 HG23 ILE 23 HG23 ILE 23 4.067 4.216 -0.834 179 HD11 ILE 23 HD11 ILE 23 4.610 3.524 -5.546 180 HD12 ILE 23 HD12 ILE 23 3.391 4.798 -5.484 181 HD13 ILE 23 HD13 ILE 23 5.092 5.175 -5.089 182 H ARG 24 H ARG 24 0.177 6.632 -2.629 183 HA ARG 24 HA ARG 24 0.209 7.259 -5.528 184 HB2 ARG 24 HB2 ARG 24 -2.363 7.375 -5.136 185 HB3 ARG 24 HB3 ARG 24 -1.558 5.822 -5.190 186 HG2 ARG 24 HG2 ARG 24 -1.627 5.543 -2.830 187 HG3 ARG 24 HG3 ARG 24 -2.109 7.218 -2.568 188 HD2 ARG 24 HD2 ARG 24 -4.237 6.531 -4.026 189 HD3 ARG 24 HD3 ARG 24 -3.772 4.889 -3.525 190 HE ARG 24 HE ARG 24 -3.765 6.754 -1.355 191 HH11 ARG 24 HH11 ARG 24 -6.137 4.675 -3.152 192 HH12 ARG 24 HH12 ARG 24 -6.984 4.269 -1.720 193 HH21 ARG 24 HH21 ARG 24 -5.076 6.140 0.505 194 HH22 ARG 24 HH22 ARG 24 -6.578 5.395 0.211 195 H ASP 25 H ASP 25 -2.118 8.900 -3.545 196 HA ASP 25 HA ASP 25 -0.663 11.414 -3.482 197 HB2 ASP 25 HB2 ASP 25 -1.819 10.998 -5.813 198 HB3 ASP 25 HB3 ASP 25 -3.304 11.330 -4.924 199 H ALA 26 H ALA 26 -3.043 13.011 -2.879 200 HA ALA 26 HA ALA 26 -3.974 11.678 -0.361 201 HB1 ALA 26 HB1 ALA 26 -3.657 14.631 -1.006 202 HB2 ALA 26 HB2 ALA 26 -4.107 13.928 0.558 203 HB3 ALA 26 HB3 ALA 26 -2.483 13.653 -0.098 204 H ASP 27 H ASP 27 -5.201 12.540 -3.372 205 HA ASP 27 HA ASP 27 -7.849 13.448 -2.484 206 HB2 ASP 27 HB2 ASP 27 -6.494 12.928 -5.159 207 HB3 ASP 27 HB3 ASP 27 -8.212 13.269 -5.041 208 H GLU 28 H GLU 28 -6.385 10.328 -3.062 209 HA GLU 28 HA GLU 28 -8.940 9.111 -3.936 210 HB2 GLU 28 HB2 GLU 28 -6.383 7.674 -3.196 211 HB3 GLU 28 HB3 GLU 28 -7.733 7.053 -4.097 212 HG2 GLU 28 HG2 GLU 28 -5.613 9.020 -4.938 213 HG3 GLU 28 HG3 GLU 28 -6.026 7.480 -5.670 214 H TYR 29 H TYR 29 -6.870 9.226 -1.097 215 HA TYR 29 HA TYR 29 -8.155 7.473 0.669 216 HB2 TYR 29 HB2 TYR 29 -6.009 8.391 1.195 217 HB3 TYR 29 HB3 TYR 29 -6.582 10.042 1.010 218 HD1 TYR 29 HD1 TYR 29 -7.082 6.990 3.158 219 HD2 TYR 29 HD2 TYR 29 -7.264 11.291 2.869 220 HE1 TYR 29 HE1 TYR 29 -7.762 7.118 5.533 221 HE2 TYR 29 HE2 TYR 29 -7.912 11.426 5.260 222 HH TYR 29 HH TYR 29 -8.278 8.523 7.323 223 H LEU 30 H LEU 30 -9.208 10.506 -0.597 224 HA LEU 30 HA LEU 30 -10.925 11.487 1.354 225 HB2 LEU 30 HB2 LEU 30 -9.894 12.347 -0.978 226 HB3 LEU 30 HB3 LEU 30 -11.366 11.707 -1.657 227 HG LEU 30 HG LEU 30 -11.635 13.993 -1.291 228 HD11 LEU 30 HD11 LEU 30 -13.571 14.162 0.164 229 HD12 LEU 30 HD12 LEU 30 -13.079 12.743 1.089 230 HD13 LEU 30 HD13 LEU 30 -13.612 12.573 -0.595 231 HD21 LEU 30 HD21 LEU 30 -9.756 14.178 0.330 232 HD22 LEU 30 HD22 LEU 30 -10.837 13.645 1.636 233 HD23 LEU 30 HD23 LEU 30 -11.177 15.152 0.757 234 H ARG 31 H ARG 31 -11.661 9.511 -1.568 235 HA ARG 31 HA ARG 31 -14.362 8.954 -0.426 236 HB2 ARG 31 HB2 ARG 31 -13.205 8.754 -3.218 237 HB3 ARG 31 HB3 ARG 31 -14.738 7.994 -2.812 238 HG2 ARG 31 HG2 ARG 31 -14.165 10.961 -2.393 239 HG3 ARG 31 HG3 ARG 31 -14.928 10.297 -3.831 240 HD2 ARG 31 HD2 ARG 31 -16.047 10.060 -1.003 241 HD3 ARG 31 HD3 ARG 31 -16.559 11.237 -2.191 242 HE ARG 31 HE ARG 31 -17.039 8.300 -2.239 243 HH11 ARG 31 HH11 ARG 31 -17.764 11.480 -3.678 244 HH12 ARG 31 HH12 ARG 31 -18.838 10.852 -4.866 245 HH21 ARG 31 HH21 ARG 31 -18.500 7.489 -3.778 246 HH22 ARG 31 HH22 ARG 31 -19.340 8.550 -4.883 247 H GLU 32 H GLU 32 -11.366 7.164 -1.087 248 HA GLU 32 HA GLU 32 -12.699 4.762 0.009 249 HB2 GLU 32 HB2 GLU 32 -11.202 4.957 -2.660 250 HB3 GLU 32 HB3 GLU 32 -11.479 3.434 -1.829 251 HG2 GLU 32 HG2 GLU 32 -13.973 3.992 -1.825 252 HG3 GLU 32 HG3 GLU 32 -13.613 5.361 -2.874 253 H HIS 33 H HIS 33 -10.494 3.052 0.107 254 HA HIS 33 HA HIS 33 -8.246 4.660 1.065 255 HB2 HIS 33 HB2 HIS 33 -9.726 4.352 3.048 256 HB3 HIS 33 HB3 HIS 33 -9.428 2.610 2.914 257 HD1 HIS 33 HD1 HIS 33 -8.449 4.750 5.343 258 HD2 HIS 33 HD2 HIS 33 -6.114 3.045 2.234 259 HE1 HIS 33 HE1 HIS 33 -5.993 4.866 6.033 260 H ILE 34 H ILE 34 -8.112 1.387 2.157 261 HA ILE 34 HA ILE 34 -7.873 -0.245 0.059 262 HB ILE 34 HB ILE 34 -5.792 1.689 -0.142 263 HG12 ILE 34 HG12 ILE 34 -6.362 -0.846 -1.436 264 HG13 ILE 34 HG13 ILE 34 -5.978 0.734 -2.060 265 HG21 ILE 34 HG21 ILE 34 -3.752 0.982 0.576 266 HG22 ILE 34 HG22 ILE 34 -4.838 1.038 1.969 267 HG23 ILE 34 HG23 ILE 34 -4.386 -0.509 1.309 268 HD11 ILE 34 HD11 ILE 34 -3.968 -1.337 -1.143 269 HD12 ILE 34 HD12 ILE 34 -4.346 -0.855 -2.789 270 HD13 ILE 34 HD13 ILE 34 -3.574 0.318 -1.691 271 HA PRO 35 HA PRO 35 -7.016 -2.920 3.697 272 HB2 PRO 35 HB2 PRO 35 -5.127 -4.733 2.871 273 HB3 PRO 35 HB3 PRO 35 -6.852 -4.761 2.484 274 HG2 PRO 35 HG2 PRO 35 -4.626 -4.125 0.603 275 HG3 PRO 35 HG3 PRO 35 -6.186 -4.644 0.261 276 HD2 PRO 35 HD2 PRO 35 -5.298 -2.041 0.171 277 HD3 PRO 35 HD3 PRO 35 -6.983 -2.568 -0.050 278 H GLU 36 H GLU 36 -6.329 -1.260 4.885 279 HA GLU 36 HA GLU 36 -5.117 0.004 6.239 280 HB2 GLU 36 HB2 GLU 36 -4.981 -2.324 7.082 281 HB3 GLU 36 HB3 GLU 36 -3.411 -2.462 6.280 282 HG2 GLU 36 HG2 GLU 36 -2.648 -0.434 7.700 283 HG3 GLU 36 HG3 GLU 36 -4.202 -0.550 8.530 284 H ALA 37 H ALA 37 -4.297 1.722 4.875 285 HA ALA 37 HA ALA 37 -1.358 1.514 4.509 286 HB1 ALA 37 HB1 ALA 37 -2.385 1.374 2.344 287 HB2 ALA 37 HB2 ALA 37 -3.354 2.838 2.677 288 HB3 ALA 37 HB3 ALA 37 -1.582 2.930 2.517 289 H ASP 38 H ASP 38 -0.552 3.928 4.100 290 HA ASP 38 HA ASP 38 -1.810 5.748 6.055 291 HB2 ASP 38 HB2 ASP 38 0.234 4.312 6.918 292 HB3 ASP 38 HB3 ASP 38 1.197 5.455 5.959 293 H LEU 39 H LEU 39 -1.713 7.845 5.342 294 HA LEU 39 HA LEU 39 -1.259 8.222 2.553 295 HB2 LEU 39 HB2 LEU 39 -3.008 9.439 3.755 296 HB3 LEU 39 HB3 LEU 39 -1.809 10.197 4.805 297 HG LEU 39 HG LEU 39 -0.844 11.410 2.867 298 HD11 LEU 39 HD11 LEU 39 -1.410 9.782 1.043 299 HD12 LEU 39 HD12 LEU 39 -1.956 11.413 0.695 300 HD13 LEU 39 HD13 LEU 39 -3.121 10.185 1.250 301 HD21 LEU 39 HD21 LEU 39 -2.673 12.973 2.527 302 HD22 LEU 39 HD22 LEU 39 -2.687 12.402 4.209 303 HD23 LEU 39 HD23 LEU 39 -3.858 11.757 3.048 304 H ALA 40 H ALA 40 0.825 7.892 1.916 305 HA ALA 40 HA ALA 40 2.790 9.952 2.649 306 HB1 ALA 40 HB1 ALA 40 3.400 6.992 2.897 307 HB2 ALA 40 HB2 ALA 40 4.536 8.331 3.148 308 HB3 ALA 40 HB3 ALA 40 3.170 8.079 4.266 309 HA PRO 41 HA PRO 41 2.325 8.729 -1.808 310 HB2 PRO 41 HB2 PRO 41 2.022 11.186 -2.909 311 HB3 PRO 41 HB3 PRO 41 0.700 10.260 -2.132 312 HG2 PRO 41 HG2 PRO 41 2.344 12.476 -0.915 313 HG3 PRO 41 HG3 PRO 41 0.561 12.263 -0.904 314 HD2 PRO 41 HD2 PRO 41 2.121 11.466 1.193 315 HD3 PRO 41 HD3 PRO 41 0.648 10.592 0.709 316 H LEU 42 H LEU 42 3.676 9.603 -3.717 317 HA LEU 42 HA LEU 42 6.392 9.263 -3.250 318 HB2 LEU 42 HB2 LEU 42 5.317 9.046 -5.449 319 HB3 LEU 42 HB3 LEU 42 5.026 10.791 -5.496 320 HG LEU 42 HG LEU 42 7.512 11.185 -5.481 321 HD11 LEU 42 HD11 LEU 42 8.305 9.102 -4.430 322 HD12 LEU 42 HD12 LEU 42 9.004 9.268 -6.042 323 HD13 LEU 42 HD13 LEU 42 7.650 8.145 -5.781 324 HD21 LEU 42 HD21 LEU 42 7.861 10.492 -7.813 325 HD22 LEU 42 HD22 LEU 42 6.241 11.166 -7.573 326 HD23 LEU 42 HD23 LEU 42 6.450 9.411 -7.709 327 H SER 43 H SER 43 4.553 12.290 -3.388 328 HA SER 43 HA SER 43 6.457 14.254 -3.219 329 HB2 SER 43 HB2 SER 43 3.745 14.210 -1.839 330 HB3 SER 43 HB3 SER 43 4.554 15.598 -2.575 331 HG SER 43 HG SER 43 2.781 14.172 -3.719 332 H VAL 44 H VAL 44 5.908 11.882 -0.839 333 HA VAL 44 HA VAL 44 7.050 13.526 1.358 334 HB VAL 44 HB VAL 44 5.132 11.165 1.544 335 HG11 VAL 44 HG11 VAL 44 4.922 11.765 3.889 336 HG12 VAL 44 HG12 VAL 44 6.615 11.451 3.491 337 HG13 VAL 44 HG13 VAL 44 6.048 13.125 3.679 338 HG21 VAL 44 HG21 VAL 44 3.468 12.882 2.334 339 HG22 VAL 44 HG22 VAL 44 4.594 14.156 1.832 340 HG23 VAL 44 HG23 VAL 44 3.890 13.054 0.628 341 H LEU 45 H LEU 45 6.998 10.389 -0.332 342 HA LEU 45 HA LEU 45 9.043 9.109 1.198 343 HB2 LEU 45 HB2 LEU 45 8.044 8.759 -1.653 344 HB3 LEU 45 HB3 LEU 45 9.241 7.716 -0.944 345 HG LEU 45 HG LEU 45 6.508 7.310 -0.967 346 HD11 LEU 45 HD11 LEU 45 6.972 5.390 0.522 347 HD12 LEU 45 HD12 LEU 45 8.551 6.079 0.920 348 HD13 LEU 45 HD13 LEU 45 8.174 5.560 -0.752 349 HD21 LEU 45 HD21 LEU 45 5.804 7.128 1.420 350 HD22 LEU 45 HD22 LEU 45 6.015 8.802 0.956 351 HD23 LEU 45 HD23 LEU 45 7.257 7.989 1.943 352 H GLU 46 H GLU 46 9.170 11.307 -1.607 353 HA GLU 46 HA GLU 46 11.971 10.964 -2.155 354 HB2 GLU 46 HB2 GLU 46 9.714 12.829 -2.932 355 HB3 GLU 46 HB3 GLU 46 11.353 13.243 -3.348 356 HG2 GLU 46 HG2 GLU 46 10.331 10.483 -4.044 357 HG3 GLU 46 HG3 GLU 46 9.881 11.875 -5.031 358 H GLN 47 H GLN 47 10.014 13.079 -0.040 359 HA GLN 47 HA GLN 47 12.192 14.917 0.542 360 HB2 GLN 47 HB2 GLN 47 9.420 14.383 1.674 361 HB3 GLN 47 HB3 GLN 47 10.533 15.434 2.526 362 HG2 GLN 47 HG2 GLN 47 9.622 15.896 -0.333 363 HG3 GLN 47 HG3 GLN 47 8.894 16.635 1.080 364 HE21 GLN 47 HE21 GLN 47 9.559 18.551 -0.461 365 HE22 GLN 47 HE22 GLN 47 11.211 19.112 -0.327 366 H SER 48 H SER 48 10.824 11.934 2.008 367 HA SER 48 HA SER 48 13.184 11.882 3.824 368 HB2 SER 48 HB2 SER 48 10.312 11.336 4.666 369 HB3 SER 48 HB3 SER 48 11.767 11.244 5.670 370 HG SER 48 HG SER 48 10.672 13.272 5.928 371 H GLY 49 H GLY 49 10.370 9.655 3.601 372 HA2 GLY 49 HA2 GLY 49 10.952 7.792 1.856 373 HA3 GLY 49 HA3 GLY 49 12.208 7.446 3.078 374 H LEU 50 H LEU 50 11.194 5.446 3.669 375 HA LEU 50 HA LEU 50 8.525 5.067 4.363 376 HB2 LEU 50 HB2 LEU 50 10.137 3.306 3.975 377 HB3 LEU 50 HB3 LEU 50 11.039 3.744 5.434 378 HG LEU 50 HG LEU 50 8.881 3.190 6.756 379 HD11 LEU 50 HD11 LEU 50 7.275 3.247 4.884 380 HD12 LEU 50 HD12 LEU 50 7.336 1.625 5.562 381 HD13 LEU 50 HD13 LEU 50 8.181 1.980 4.044 382 HD21 LEU 50 HD21 LEU 50 10.279 0.969 5.208 383 HD22 LEU 50 HD22 LEU 50 9.314 0.748 6.652 384 HD23 LEU 50 HD23 LEU 50 10.818 1.684 6.738 385 HA PRO 51 HA PRO 51 8.649 7.631 8.116 386 HB2 PRO 51 HB2 PRO 51 6.040 7.167 8.951 387 HB3 PRO 51 HB3 PRO 51 6.498 8.395 7.709 388 HG2 PRO 51 HG2 PRO 51 5.518 5.568 7.339 389 HG3 PRO 51 HG3 PRO 51 4.968 7.021 6.453 390 HD2 PRO 51 HD2 PRO 51 6.711 5.214 5.464 391 HD3 PRO 51 HD3 PRO 51 6.935 6.944 5.116 392 H ALA 52 H ALA 52 8.847 7.216 10.297 393 HA ALA 52 HA ALA 52 9.556 4.739 11.249 394 HB1 ALA 52 HB1 ALA 52 8.337 6.997 12.887 395 HB2 ALA 52 HB2 ALA 52 9.334 5.656 13.491 396 HB3 ALA 52 HB3 ALA 52 10.047 6.850 12.408 397 H LYS 53 H LYS 53 6.267 6.167 11.365 398 HA LYS 53 HA LYS 53 5.134 4.205 13.015 399 HB2 LYS 53 HB2 LYS 53 3.016 5.018 12.416 400 HB3 LYS 53 HB3 LYS 53 4.157 6.373 12.511 401 HG2 LYS 53 HG2 LYS 53 4.422 5.887 9.920 402 HG3 LYS 53 HG3 LYS 53 2.818 5.122 10.148 403 HD2 LYS 53 HD2 LYS 53 3.539 7.953 10.897 404 HD3 LYS 53 HD3 LYS 53 2.848 7.502 9.323 405 HE2 LYS 53 HE2 LYS 53 0.835 6.633 10.338 406 HE3 LYS 53 HE3 LYS 53 1.501 6.843 11.967 407 HZ1 LYS 53 HZ1 LYS 53 1.566 9.219 11.545 408 HZ2 LYS 53 HZ2 LYS 53 0.039 8.602 11.459 409 HZ3 LYS 53 HZ3 LYS 53 0.810 9.010 10.082 410 H LEU 54 H LEU 54 6.047 3.741 9.588 411 HA LEU 54 HA LEU 54 4.727 1.087 9.704 412 HB2 LEU 54 HB2 LEU 54 5.178 2.814 7.255 413 HB3 LEU 54 HB3 LEU 54 4.501 1.205 7.294 414 HG LEU 54 HG LEU 54 2.852 2.568 9.087 415 HD11 LEU 54 HD11 LEU 54 4.000 4.616 8.302 416 HD12 LEU 54 HD12 LEU 54 2.256 4.654 8.071 417 HD13 LEU 54 HD13 LEU 54 3.347 4.383 6.681 418 HD21 LEU 54 HD21 LEU 54 2.317 1.105 6.880 419 HD22 LEU 54 HD22 LEU 54 1.915 2.694 6.262 420 HD23 LEU 54 HD23 LEU 54 1.126 2.104 7.721 421 H ARG 55 H ARG 55 7.358 1.964 10.618 422 HA ARG 55 HA ARG 55 9.398 1.192 8.744 423 HB2 ARG 55 HB2 ARG 55 10.921 1.562 10.558 424 HB3 ARG 55 HB3 ARG 55 9.644 2.749 10.664 425 HG2 ARG 55 HG2 ARG 55 8.493 1.199 12.344 426 HG3 ARG 55 HG3 ARG 55 9.933 0.210 12.305 427 HD2 ARG 55 HD2 ARG 55 11.271 1.779 13.356 428 HD3 ARG 55 HD3 ARG 55 10.238 3.122 12.879 429 HE ARG 55 HE ARG 55 9.069 2.928 14.771 430 HH11 ARG 55 HH11 ARG 55 10.253 -0.431 14.160 431 HH12 ARG 55 HH12 ARG 55 9.704 -0.993 15.677 432 HH21 ARG 55 HH21 ARG 55 8.617 2.155 16.887 433 HH22 ARG 55 HH22 ARG 55 8.712 0.441 17.197 434 H HIS 56 H HIS 56 7.336 -1.007 9.976 435 HA HIS 56 HA HIS 56 8.844 -2.979 11.277 436 HB2 HIS 56 HB2 HIS 56 6.509 -3.353 9.372 437 HB3 HIS 56 HB3 HIS 56 7.103 -4.558 10.508 438 HD1 HIS 56 HD1 HIS 56 4.327 -4.197 11.200 439 HD2 HIS 56 HD2 HIS 56 7.229 -1.405 12.462 440 HE1 HIS 56 HE1 HIS 56 3.270 -2.845 13.077 441 H GLU 57 H GLU 57 9.708 -5.068 10.517 442 HA GLU 57 HA GLU 57 11.601 -4.748 8.388 443 HB2 GLU 57 HB2 GLU 57 10.651 -7.105 10.036 444 HB3 GLU 57 HB3 GLU 57 11.960 -7.246 8.860 445 HG2 GLU 57 HG2 GLU 57 13.383 -5.781 9.989 446 HG3 GLU 57 HG3 GLU 57 12.101 -5.098 10.994 447 H GLN 58 H GLN 58 8.303 -5.412 8.071 448 HA GLN 58 HA GLN 58 8.687 -6.442 5.338 449 HB2 GLN 58 HB2 GLN 58 6.905 -7.645 7.514 450 HB3 GLN 58 HB3 GLN 58 6.738 -8.008 5.797 451 HG2 GLN 58 HG2 GLN 58 8.706 -9.269 5.708 452 HG3 GLN 58 HG3 GLN 58 9.397 -8.521 7.141 453 HE21 GLN 58 HE21 GLN 58 9.834 -10.365 8.389 454 HE22 GLN 58 HE22 GLN 58 8.471 -11.187 9.144 455 H ILE 59 H ILE 59 7.806 -4.995 4.078 456 HA ILE 59 HA ILE 59 5.304 -3.788 4.949 457 HB ILE 59 HB ILE 59 5.873 -1.677 4.709 458 HG12 ILE 59 HG12 ILE 59 8.575 -1.450 3.743 459 HG13 ILE 59 HG13 ILE 59 7.620 -2.385 2.594 460 HG21 ILE 59 HG21 ILE 59 8.519 -2.623 5.805 461 HG22 ILE 59 HG22 ILE 59 7.880 -0.993 5.944 462 HG23 ILE 59 HG23 ILE 59 7.027 -2.336 6.739 463 HD11 ILE 59 HD11 ILE 59 7.672 0.083 2.166 464 HD12 ILE 59 HD12 ILE 59 6.063 -0.617 2.310 465 HD13 ILE 59 HD13 ILE 59 6.737 0.289 3.669 466 H ILE 60 H ILE 60 4.510 -2.457 3.038 467 HA ILE 60 HA ILE 60 4.902 -3.834 0.441 468 HB ILE 60 HB ILE 60 2.115 -3.264 1.452 469 HG12 ILE 60 HG12 ILE 60 3.574 -5.878 1.908 470 HG13 ILE 60 HG13 ILE 60 2.792 -4.822 3.088 471 HG21 ILE 60 HG21 ILE 60 2.972 -5.278 -0.671 472 HG22 ILE 60 HG22 ILE 60 1.339 -4.682 -0.353 473 HG23 ILE 60 HG23 ILE 60 2.490 -3.623 -1.069 474 HD11 ILE 60 HD11 ILE 60 1.480 -6.509 0.947 475 HD12 ILE 60 HD12 ILE 60 1.261 -6.616 2.715 476 HD13 ILE 60 HD13 ILE 60 0.618 -5.217 1.813 477 H PHE 61 H PHE 61 4.171 -2.623 -1.254 478 HA PHE 61 HA PHE 61 3.655 0.283 -0.815 479 HB2 PHE 61 HB2 PHE 61 5.586 -1.280 -2.566 480 HB3 PHE 61 HB3 PHE 61 4.922 0.218 -3.224 481 HD1 PHE 61 HD1 PHE 61 4.756 2.060 -0.964 482 HD2 PHE 61 HD2 PHE 61 7.788 -0.760 -2.051 483 HE1 PHE 61 HE1 PHE 61 6.377 3.298 0.381 484 HE2 PHE 61 HE2 PHE 61 9.434 0.473 -0.739 485 HZ PHE 61 HZ PHE 61 8.771 2.603 0.441 486 H HIS 62 H HIS 62 1.969 1.207 -1.935 487 HA HIS 62 HA HIS 62 1.417 0.177 -4.411 488 HB2 HIS 62 HB2 HIS 62 -0.099 -1.226 -2.514 489 HB3 HIS 62 HB3 HIS 62 -1.231 -0.131 -3.295 490 HD1 HIS 62 HD1 HIS 62 1.625 -1.181 -5.514 491 HD2 HIS 62 HD2 HIS 62 -2.123 -2.641 -4.386 492 HE1 HIS 62 HE1 HIS 62 0.988 -2.895 -7.294 493 H CYS 63 H CYS 63 -0.240 1.069 -5.764 494 HA CYS 63 HA CYS 63 -1.023 3.698 -5.100 495 HB2 CYS 63 HB2 CYS 63 1.287 4.253 -5.374 496 HB3 CYS 63 HB3 CYS 63 1.473 3.218 -6.801 497 HG CYS 63 HG CYS 63 1.721 5.848 -7.267 498 H GLN 64 H GLN 64 -2.417 4.499 -6.630 499 HA GLN 64 HA GLN 64 -4.069 4.540 -8.052 500 HB2 GLN 64 HB2 GLN 64 -1.696 4.197 -9.637 501 HB3 GLN 64 HB3 GLN 64 -2.932 3.243 -10.397 502 HG2 GLN 64 HG2 GLN 64 -3.474 5.183 -11.429 503 HG3 GLN 64 HG3 GLN 64 -4.388 5.518 -9.992 504 HE21 GLN 64 HE21 GLN 64 -3.387 7.651 -11.698 505 HE22 GLN 64 HE22 GLN 64 -2.062 8.424 -10.875 506 H ALA 65 H ALA 65 -5.107 2.968 -10.036 507 HA ALA 65 HA ALA 65 -5.865 0.466 -8.604 508 HB1 ALA 65 HB1 ALA 65 -7.454 2.130 -10.580 509 HB2 ALA 65 HB2 ALA 65 -8.030 0.724 -9.639 510 HB3 ALA 65 HB3 ALA 65 -7.625 2.239 -8.821 511 H GLY 66 H GLY 66 -3.503 0.605 -10.117 512 HA2 GLY 66 HA2 GLY 66 -3.845 -1.594 -11.945 513 HA3 GLY 66 HA3 GLY 66 -3.572 -0.085 -12.817 514 H LYS 67 H LYS 67 -2.289 -1.610 -9.861 515 HA LYS 67 HA LYS 67 -0.217 -1.430 -8.891 516 HB2 LYS 67 HB2 LYS 67 1.247 -3.147 -9.812 517 HB3 LYS 67 HB3 LYS 67 -0.406 -3.666 -9.673 518 HG2 LYS 67 HG2 LYS 67 0.474 -2.612 -12.364 519 HG3 LYS 67 HG3 LYS 67 1.138 -4.150 -11.823 520 HD2 LYS 67 HD2 LYS 67 -1.088 -5.102 -11.558 521 HD3 LYS 67 HD3 LYS 67 -1.840 -3.558 -12.022 522 HE2 LYS 67 HE2 LYS 67 -0.878 -3.680 -14.245 523 HE3 LYS 67 HE3 LYS 67 0.095 -5.101 -13.799 524 HZ1 LYS 67 HZ1 LYS 67 -1.842 -6.379 -13.581 525 HZ2 LYS 67 HZ2 LYS 67 -1.944 -5.656 -15.042 526 HZ3 LYS 67 HZ3 LYS 67 -2.853 -5.078 -13.808 527 H ARG 68 H ARG 68 -0.056 1.022 -9.608 528 HA ARG 68 HA ARG 68 2.187 1.558 -11.443 529 HB2 ARG 68 HB2 ARG 68 0.464 3.316 -9.634 530 HB3 ARG 68 HB3 ARG 68 1.751 3.940 -10.643 531 HG2 ARG 68 HG2 ARG 68 -0.788 2.554 -11.609 532 HG3 ARG 68 HG3 ARG 68 -0.386 4.264 -11.734 533 HD2 ARG 68 HD2 ARG 68 0.895 1.944 -13.220 534 HD3 ARG 68 HD3 ARG 68 -0.046 3.284 -13.896 535 HE ARG 68 HE ARG 68 2.099 4.477 -12.568 536 HH11 ARG 68 HH11 ARG 68 1.717 2.333 -15.345 537 HH12 ARG 68 HH12 ARG 68 3.246 2.713 -16.050 538 HH21 ARG 68 HH21 ARG 68 4.130 4.960 -13.382 539 HH22 ARG 68 HH22 ARG 68 4.668 4.331 -14.891 540 H THR 69 H THR 69 3.216 -0.134 -9.817 541 HA THR 69 HA THR 69 4.811 1.417 -7.819 542 HB THR 69 HB THR 69 4.839 -1.040 -6.718 543 HG1 THR 69 HG1 THR 69 2.360 -0.743 -8.030 544 HG21 THR 69 HG21 THR 69 3.291 -0.251 -5.155 545 HG22 THR 69 HG22 THR 69 2.496 0.871 -6.315 546 HG23 THR 69 HG23 THR 69 4.131 1.183 -5.700 547 H SER 70 H SER 70 4.827 -1.651 -9.706 548 HA SER 70 HA SER 70 7.546 -2.202 -9.445 549 HB2 SER 70 HB2 SER 70 7.288 -3.337 -11.728 550 HB3 SER 70 HB3 SER 70 6.312 -3.888 -10.368 551 HG SER 70 HG SER 70 4.985 -3.733 -12.053 552 H ASN 71 H ASN 71 6.026 0.056 -11.475 553 HA ASN 71 HA ASN 71 7.985 0.835 -13.313 554 HB2 ASN 71 HB2 ASN 71 5.981 2.616 -11.861 555 HB3 ASN 71 HB3 ASN 71 6.804 2.979 -13.363 556 HD21 ASN 71 HD21 ASN 71 6.248 1.561 -15.345 557 HD22 ASN 71 HD22 ASN 71 4.729 0.715 -15.289 558 H ASN 72 H ASN 72 8.092 1.437 -9.861 559 HA ASN 72 HA ASN 72 10.541 3.078 -10.174 560 HB2 ASN 72 HB2 ASN 72 8.456 3.954 -8.160 561 HB3 ASN 72 HB3 ASN 72 9.861 4.808 -8.761 562 HD21 ASN 72 HD21 ASN 72 6.511 3.872 -9.458 563 HD22 ASN 72 HD22 ASN 72 6.310 4.959 -10.833 564 H ALA 73 H ALA 73 9.373 0.379 -9.164 565 HA ALA 73 HA ALA 73 9.502 0.075 -6.398 566 HB1 ALA 73 HB1 ALA 73 8.625 -1.626 -7.743 567 HB2 ALA 73 HB2 ALA 73 10.186 -1.890 -8.586 568 HB3 ALA 73 HB3 ALA 73 9.995 -2.298 -6.868 569 H ASP 74 H ASP 74 12.301 0.388 -8.597 570 HA ASP 74 HA ASP 74 14.152 -0.851 -6.738 571 HB2 ASP 74 HB2 ASP 74 14.583 0.854 -9.168 572 HB3 ASP 74 HB3 ASP 74 15.912 0.215 -8.202 573 H LYS 75 H LYS 75 13.527 2.707 -7.491 574 HA LYS 75 HA LYS 75 15.410 3.592 -5.527 575 HB2 LYS 75 HB2 LYS 75 14.151 4.770 -7.603 576 HB3 LYS 75 HB3 LYS 75 12.992 5.205 -6.355 577 HG2 LYS 75 HG2 LYS 75 15.966 5.858 -6.483 578 HG3 LYS 75 HG3 LYS 75 14.610 6.965 -6.744 579 HD2 LYS 75 HD2 LYS 75 13.907 6.384 -4.340 580 HD3 LYS 75 HD3 LYS 75 15.535 5.698 -4.153 581 HE2 LYS 75 HE2 LYS 75 16.485 7.932 -4.905 582 HE3 LYS 75 HE3 LYS 75 14.845 8.573 -4.953 583 HZ1 LYS 75 HZ1 LYS 75 16.300 7.724 -2.519 584 HZ2 LYS 75 HZ2 LYS 75 14.715 8.227 -2.527 585 HZ3 LYS 75 HZ3 LYS 75 15.848 9.248 -2.981 586 H LEU 76 H LEU 76 11.908 2.873 -5.608 587 HA LEU 76 HA LEU 76 11.323 3.701 -2.962 588 HB2 LEU 76 HB2 LEU 76 10.001 1.706 -4.798 589 HB3 LEU 76 HB3 LEU 76 9.355 2.086 -3.202 590 HG LEU 76 HG LEU 76 9.825 4.173 -5.375 591 HD11 LEU 76 HD11 LEU 76 7.222 2.815 -4.556 592 HD12 LEU 76 HD12 LEU 76 8.123 2.523 -6.077 593 HD13 LEU 76 HD13 LEU 76 7.410 4.106 -5.760 594 HD21 LEU 76 HD21 LEU 76 8.254 5.543 -3.991 595 HD22 LEU 76 HD22 LEU 76 9.724 5.158 -3.099 596 HD23 LEU 76 HD23 LEU 76 8.230 4.257 -2.763 597 H ALA 77 H ALA 77 13.054 0.800 -4.067 598 HA ALA 77 HA ALA 77 12.498 -0.800 -1.734 599 HB1 ALA 77 HB1 ALA 77 13.389 -1.782 -3.834 600 HB2 ALA 77 HB2 ALA 77 14.919 -0.914 -3.596 601 HB3 ALA 77 HB3 ALA 77 14.406 -2.148 -2.435 602 H ALA 78 H ALA 78 15.319 1.247 -2.650 603 HA ALA 78 HA ALA 78 16.703 1.071 -0.201 604 HB1 ALA 78 HB1 ALA 78 17.688 1.957 -2.279 605 HB2 ALA 78 HB2 ALA 78 16.596 3.362 -2.220 606 HB3 ALA 78 HB3 ALA 78 17.833 3.136 -0.965 607 H ILE 79 H ILE 79 13.909 2.950 -1.048 608 HA ILE 79 HA ILE 79 14.010 4.900 1.074 609 HB ILE 79 HB ILE 79 12.185 4.035 -1.112 610 HG12 ILE 79 HG12 ILE 79 13.233 6.732 -0.221 611 HG13 ILE 79 HG13 ILE 79 14.026 5.669 -1.386 612 HG21 ILE 79 HG21 ILE 79 11.181 5.796 1.115 613 HG22 ILE 79 HG22 ILE 79 10.400 5.542 -0.463 614 HG23 ILE 79 HG23 ILE 79 10.544 4.202 0.654 615 HD11 ILE 79 HD11 ILE 79 12.003 5.839 -2.855 616 HD12 ILE 79 HD12 ILE 79 11.338 7.046 -1.726 617 HD13 ILE 79 HD13 ILE 79 12.828 7.385 -2.588 618 H ALA 80 H ALA 80 12.685 1.522 0.883 619 HA ALA 80 HA ALA 80 11.643 1.926 3.663 620 HB1 ALA 80 HB1 ALA 80 10.550 0.300 1.391 621 HB2 ALA 80 HB2 ALA 80 9.940 0.316 3.074 622 HB3 ALA 80 HB3 ALA 80 9.869 1.778 2.100 623 H ALA 81 H ALA 81 14.182 0.536 2.041 624 HA ALA 81 HA ALA 81 14.370 -2.005 3.268 625 HB1 ALA 81 HB1 ALA 81 16.486 -0.002 2.335 626 HB2 ALA 81 HB2 ALA 81 16.820 -1.700 2.693 627 HB3 ALA 81 HB3 ALA 81 15.738 -1.297 1.360 628 HA PRO 82 HA PRO 82 16.809 -3.024 4.311 629 HB2 PRO 82 HB2 PRO 82 17.000 -4.509 6.590 630 HB3 PRO 82 HB3 PRO 82 18.097 -3.134 6.240 631 HG2 PRO 82 HG2 PRO 82 15.475 -3.082 7.830 632 HG3 PRO 82 HG3 PRO 82 17.096 -2.588 8.407 633 HD2 PRO 82 HD2 PRO 82 15.446 -0.744 7.451 634 HD3 PRO 82 HD3 PRO 82 17.148 -0.711 6.894 635 H ALA 83 H ALA 83 13.666 -2.568 5.708 636 HA ALA 83 HA ALA 83 12.713 -5.138 6.012 637 HB1 ALA 83 HB1 ALA 83 10.485 -4.118 5.524 638 HB2 ALA 83 HB2 ALA 83 11.461 -3.053 6.548 639 HB3 ALA 83 HB3 ALA 83 11.269 -2.714 4.820 640 H GLU 84 H GLU 84 11.344 -6.417 4.760 641 HA GLU 84 HA GLU 84 12.145 -6.723 1.925 642 HB2 GLU 84 HB2 GLU 84 10.536 -8.381 3.900 643 HB3 GLU 84 HB3 GLU 84 10.407 -8.693 2.168 644 HG2 GLU 84 HG2 GLU 84 13.051 -8.636 3.671 645 HG3 GLU 84 HG3 GLU 84 12.110 -10.084 3.376 646 H ILE 85 H ILE 85 11.046 -5.613 0.403 647 HA ILE 85 HA ILE 85 8.411 -4.466 1.095 648 HB ILE 85 HB ILE 85 10.747 -3.600 -0.596 649 HG12 ILE 85 HG12 ILE 85 10.297 -1.507 0.183 650 HG13 ILE 85 HG13 ILE 85 8.668 -1.903 0.741 651 HG21 ILE 85 HG21 ILE 85 8.974 -3.852 -2.344 652 HG22 ILE 85 HG22 ILE 85 7.883 -2.870 -1.348 653 HG23 ILE 85 HG23 ILE 85 9.400 -2.187 -1.988 654 HD11 ILE 85 HD11 ILE 85 11.230 -3.096 1.864 655 HD12 ILE 85 HD12 ILE 85 10.398 -1.739 2.593 656 HD13 ILE 85 HD13 ILE 85 9.578 -3.288 2.544 657 H PHE 86 H PHE 86 6.628 -4.812 0.014 658 HA PHE 86 HA PHE 86 6.671 -6.758 -2.199 659 HB2 PHE 86 HB2 PHE 86 4.790 -6.537 0.177 660 HB3 PHE 86 HB3 PHE 86 4.439 -7.529 -1.217 661 HD1 PHE 86 HD1 PHE 86 6.946 -7.101 1.566 662 HD2 PHE 86 HD2 PHE 86 5.167 -9.776 -1.318 663 HE1 PHE 86 HE1 PHE 86 8.156 -8.973 2.567 664 HE2 PHE 86 HE2 PHE 86 6.403 -11.664 -0.299 665 HZ PHE 86 HZ PHE 86 7.953 -11.266 1.604 666 H LEU 87 H LEU 87 4.738 -6.848 -3.486 667 HA LEU 87 HA LEU 87 3.463 -4.235 -4.084 668 HB2 LEU 87 HB2 LEU 87 5.035 -6.149 -5.776 669 HB3 LEU 87 HB3 LEU 87 3.458 -5.735 -6.421 670 HG LEU 87 HG LEU 87 3.965 -3.350 -6.240 671 HD11 LEU 87 HD11 LEU 87 6.785 -4.269 -5.576 672 HD12 LEU 87 HD12 LEU 87 5.720 -3.236 -4.584 673 HD13 LEU 87 HD13 LEU 87 6.344 -2.634 -6.132 674 HD21 LEU 87 HD21 LEU 87 5.604 -3.310 -8.144 675 HD22 LEU 87 HD22 LEU 87 4.283 -4.477 -8.391 676 HD23 LEU 87 HD23 LEU 87 5.900 -5.033 -7.896 677 H LEU 88 H LEU 88 1.420 -4.508 -3.509 678 HA LEU 88 HA LEU 88 0.130 -7.029 -3.037 679 HB2 LEU 88 HB2 LEU 88 -0.249 -4.322 -2.374 680 HB3 LEU 88 HB3 LEU 88 -1.635 -4.681 -3.388 681 HG LEU 88 HG LEU 88 -0.825 -6.427 -1.024 682 HD11 LEU 88 HD11 LEU 88 -2.514 -5.217 0.292 683 HD12 LEU 88 HD12 LEU 88 -2.769 -4.082 -1.059 684 HD13 LEU 88 HD13 LEU 88 -1.202 -4.156 -0.215 685 HD21 LEU 88 HD21 LEU 88 -3.398 -6.093 -2.629 686 HD22 LEU 88 HD22 LEU 88 -3.286 -7.037 -1.140 687 HD23 LEU 88 HD23 LEU 88 -2.336 -7.520 -2.554 688 H GLU 89 H GLU 89 0.499 -5.186 -5.826 689 HA GLU 89 HA GLU 89 -0.012 -5.325 -7.950 690 HB2 GLU 89 HB2 GLU 89 0.559 -7.723 -7.483 691 HB3 GLU 89 HB3 GLU 89 -1.173 -8.079 -7.581 692 HG2 GLU 89 HG2 GLU 89 -1.219 -7.374 -9.908 693 HG3 GLU 89 HG3 GLU 89 0.385 -6.629 -9.775 694 H ASP 90 H ASP 90 -1.729 -5.319 -9.585 695 HA ASP 90 HA ASP 90 -3.557 -4.319 -10.405 696 HB2 ASP 90 HB2 ASP 90 -4.769 -6.178 -8.388 697 HB3 ASP 90 HB3 ASP 90 -5.794 -5.079 -9.340 698 H GLY 91 H GLY 91 -2.453 -3.183 -7.516 699 HA2 GLY 91 HA2 GLY 91 -2.557 -0.966 -6.803 700 HA3 GLY 91 HA3 GLY 91 -3.834 -0.653 -7.990 701 H ILE 92 H ILE 92 -5.832 -0.428 -7.147 702 HA ILE 92 HA ILE 92 -6.418 -1.627 -4.473 703 HB ILE 92 HB ILE 92 -6.436 0.781 -4.501 704 HG12 ILE 92 HG12 ILE 92 -9.271 -0.273 -4.215 705 HG13 ILE 92 HG13 ILE 92 -7.974 -0.695 -3.100 706 HG21 ILE 92 HG21 ILE 92 -8.674 0.565 -6.569 707 HG22 ILE 92 HG22 ILE 92 -8.232 2.041 -5.688 708 HG23 ILE 92 HG23 ILE 92 -7.060 1.316 -6.776 709 HD11 ILE 92 HD11 ILE 92 -8.885 1.046 -2.005 710 HD12 ILE 92 HD12 ILE 92 -7.672 1.926 -2.941 711 HD13 ILE 92 HD13 ILE 92 -9.374 1.924 -3.481 712 H ASP 93 H ASP 93 -7.062 -1.915 -7.792 713 HA ASP 93 HA ASP 93 -9.757 -2.917 -7.713 714 HB2 ASP 93 HB2 ASP 93 -8.734 -2.070 -9.760 715 HB3 ASP 93 HB3 ASP 93 -7.428 -3.250 -9.631 716 H GLY 94 H GLY 94 -6.494 -4.340 -7.370 717 HA2 GLY 94 HA2 GLY 94 -7.089 -7.070 -7.348 718 HA3 GLY 94 HA3 GLY 94 -5.739 -6.301 -6.489 719 H TRP 95 H TRP 95 -6.757 -4.851 -4.562 720 HA TRP 95 HA TRP 95 -7.312 -6.404 -2.354 721 HB2 TRP 95 HB2 TRP 95 -6.799 -4.160 -2.044 722 HB3 TRP 95 HB3 TRP 95 -8.142 -3.592 -3.016 723 HD1 TRP 95 HD1 TRP 95 -9.989 -2.661 -1.675 724 HE1 TRP 95 HE1 TRP 95 -11.118 -3.118 0.638 725 HE3 TRP 95 HE3 TRP 95 -7.188 -6.594 -0.101 726 HZ2 TRP 95 HZ2 TRP 95 -10.564 -4.655 2.991 727 HZ3 TRP 95 HZ3 TRP 95 -7.519 -7.574 2.145 728 HH2 TRP 95 HH2 TRP 95 -9.242 -6.616 3.696 729 H LYS 96 H LYS 96 -9.654 -4.624 -4.388 730 HA LYS 96 HA LYS 96 -12.019 -5.707 -3.289 731 HB2 LYS 96 HB2 LYS 96 -11.495 -3.518 -4.743 732 HB3 LYS 96 HB3 LYS 96 -11.974 -4.563 -6.090 733 HG2 LYS 96 HG2 LYS 96 -14.074 -5.129 -4.772 734 HG3 LYS 96 HG3 LYS 96 -13.547 -3.957 -3.549 735 HD2 LYS 96 HD2 LYS 96 -13.536 -2.237 -5.513 736 HD3 LYS 96 HD3 LYS 96 -14.482 -3.440 -6.398 737 HE2 LYS 96 HE2 LYS 96 -15.129 -2.210 -3.685 738 HE3 LYS 96 HE3 LYS 96 -15.958 -1.844 -5.199 739 HZ1 LYS 96 HZ1 LYS 96 -17.093 -3.452 -3.702 740 HZ2 LYS 96 HZ2 LYS 96 -15.925 -4.563 -4.008 741 HZ3 LYS 96 HZ3 LYS 96 -16.872 -4.042 -5.215 742 H LYS 97 H LYS 97 -10.112 -6.758 -6.091 743 HA LYS 97 HA LYS 97 -11.916 -8.364 -7.464 744 HB2 LYS 97 HB2 LYS 97 -9.469 -7.652 -7.874 745 HB3 LYS 97 HB3 LYS 97 -8.997 -9.082 -6.975 746 HG2 LYS 97 HG2 LYS 97 -9.708 -10.518 -8.694 747 HG3 LYS 97 HG3 LYS 97 -10.775 -9.292 -9.422 748 HD2 LYS 97 HD2 LYS 97 -8.919 -7.942 -10.144 749 HD3 LYS 97 HD3 LYS 97 -7.766 -8.873 -9.184 750 HE2 LYS 97 HE2 LYS 97 -8.068 -10.826 -10.620 751 HE3 LYS 97 HE3 LYS 97 -9.264 -9.960 -11.591 752 HZ1 LYS 97 HZ1 LYS 97 -6.962 -9.967 -12.505 753 HZ2 LYS 97 HZ2 LYS 97 -6.487 -8.994 -11.252 754 HZ3 LYS 97 HZ3 LYS 97 -7.588 -8.475 -12.344 755 H ALA 98 H ALA 98 -10.085 -9.102 -4.498 756 HA ALA 98 HA ALA 98 -10.790 -11.869 -4.323 757 HB1 ALA 98 HB1 ALA 98 -10.084 -11.575 -1.935 758 HB2 ALA 98 HB2 ALA 98 -8.924 -10.900 -3.086 759 HB3 ALA 98 HB3 ALA 98 -10.011 -9.818 -2.191 760 H GLY 99 H GLY 99 -12.549 -8.934 -3.536 761 HA2 GLY 99 HA2 GLY 99 -14.938 -8.962 -3.373 762 HA3 GLY 99 HA3 GLY 99 -14.861 -10.477 -2.468 763 H LEU 100 H LEU 100 -12.451 -7.991 -1.663 764 HA LEU 100 HA LEU 100 -13.734 -7.651 0.959 765 HB2 LEU 100 HB2 LEU 100 -10.941 -7.170 -0.093 766 HB3 LEU 100 HB3 LEU 100 -11.488 -6.762 1.528 767 HG LEU 100 HG LEU 100 -11.977 -9.591 0.681 768 HD11 LEU 100 HD11 LEU 100 -9.240 -8.965 1.736 769 HD12 LEU 100 HD12 LEU 100 -9.536 -8.898 -0.002 770 HD13 LEU 100 HD13 LEU 100 -9.820 -10.395 0.899 771 HD21 LEU 100 HD21 LEU 100 -12.665 -8.724 2.910 772 HD22 LEU 100 HD22 LEU 100 -10.993 -8.256 3.252 773 HD23 LEU 100 HD23 LEU 100 -11.411 -9.964 3.080 774 HA PRO 101 HA PRO 101 -14.577 -3.380 -0.263 775 HB2 PRO 101 HB2 PRO 101 -15.706 -2.448 2.015 776 HB3 PRO 101 HB3 PRO 101 -16.499 -3.746 1.077 777 HG2 PRO 101 HG2 PRO 101 -14.778 -4.024 3.560 778 HG3 PRO 101 HG3 PRO 101 -16.346 -4.806 3.204 779 HD2 PRO 101 HD2 PRO 101 -13.864 -5.998 2.781 780 HD3 PRO 101 HD3 PRO 101 -15.338 -6.421 1.863 781 H VAL 102 H VAL 102 -13.539 -1.235 0.006 782 HA VAL 102 HA VAL 102 -11.070 -1.224 1.564 783 HB VAL 102 HB VAL 102 -10.838 1.012 0.559 784 HG11 VAL 102 HG11 VAL 102 -11.711 -1.123 -1.416 785 HG12 VAL 102 HG12 VAL 102 -11.022 0.428 -1.892 786 HG13 VAL 102 HG13 VAL 102 -10.071 -0.665 -0.877 787 HG21 VAL 102 HG21 VAL 102 -12.981 1.960 0.649 788 HG22 VAL 102 HG22 VAL 102 -12.646 1.802 -1.081 789 HG23 VAL 102 HG23 VAL 102 -13.737 0.666 -0.304 790 H ALA 103 H ALA 103 -10.774 0.922 2.912 791 HA ALA 103 HA ALA 103 -12.940 0.988 4.888 792 HB1 ALA 103 HB1 ALA 103 -10.490 1.124 5.486 793 HB2 ALA 103 HB2 ALA 103 -10.476 2.755 4.774 794 HB3 ALA 103 HB3 ALA 103 -11.513 2.410 6.151 795 H VAL 104 H VAL 104 -14.638 1.737 3.432 796 HA VAL 104 HA VAL 104 -14.426 4.454 2.296 797 HB VAL 104 HB VAL 104 -17.050 3.725 1.954 798 HG11 VAL 104 HG11 VAL 104 -14.693 3.179 0.179 799 HG12 VAL 104 HG12 VAL 104 -16.360 2.911 -0.346 800 HG13 VAL 104 HG13 VAL 104 -15.838 4.524 0.144 801 HG21 VAL 104 HG21 VAL 104 -15.658 1.064 1.613 802 HG22 VAL 104 HG22 VAL 104 -16.738 1.465 2.977 803 HG23 VAL 104 HG23 VAL 104 -17.354 1.461 1.320 804 H ASN 105 H ASN 105 -15.313 6.287 3.226 805 HA ASN 105 HA ASN 105 -16.518 6.013 5.914 806 HB2 ASN 105 HB2 ASN 105 -14.703 7.716 5.210 807 HB3 ASN 105 HB3 ASN 105 -15.994 8.548 4.338 808 HD21 ASN 105 HD21 ASN 105 -17.505 9.810 5.492 809 HD22 ASN 105 HD22 ASN 105 -17.381 9.972 7.245 810 H LYS 106 H LYS 106 -18.112 4.718 4.278 811 HA LYS 106 HA LYS 106 -20.426 6.471 3.631 812 HB2 LYS 106 HB2 LYS 106 -18.905 4.812 1.794 813 HB3 LYS 106 HB3 LYS 106 -20.538 4.200 1.910 814 HG2 LYS 106 HG2 LYS 106 -19.901 7.133 1.433 815 HG3 LYS 106 HG3 LYS 106 -20.014 5.981 0.114 816 HD2 LYS 106 HD2 LYS 106 -22.315 6.241 2.075 817 HD3 LYS 106 HD3 LYS 106 -22.121 7.397 0.748 818 HE2 LYS 106 HE2 LYS 106 -22.320 5.735 -0.932 819 HE3 LYS 106 HE3 LYS 106 -22.107 4.411 0.223 820 HZ1 LYS 106 HZ1 LYS 106 -24.430 6.219 0.297 821 HZ2 LYS 106 HZ2 LYS 106 -24.220 4.767 1.096 822 HZ3 LYS 106 HZ3 LYS 106 -24.440 4.787 -0.501 823 H SER 107 H SER 107 -21.973 6.016 5.064 824 HA SER 107 HA SER 107 -22.090 3.370 6.377 825 HB2 SER 107 HB2 SER 107 -23.663 5.942 6.824 826 HB3 SER 107 HB3 SER 107 -23.719 4.487 7.837 827 HG SER 107 HG SER 107 -21.458 4.783 8.225 828 H GLN 108 H GLN 108 -23.412 1.867 5.485 829 HA GLN 108 HA GLN 108 -25.245 2.561 3.280 830 HB2 GLN 108 HB2 GLN 108 -25.415 0.233 2.919 831 HB3 GLN 108 HB3 GLN 108 -23.720 0.515 3.284 832 HG2 GLN 108 HG2 GLN 108 -24.044 -0.328 5.589 833 HG3 GLN 108 HG3 GLN 108 -25.759 -0.582 5.273 834 HE21 GLN 108 HE21 GLN 108 -22.672 -2.094 5.120 835 HE22 GLN 108 HE22 GLN 108 -23.103 -3.437 4.093 Start of MODEL 6 1 H ALA 1 H ALA 1 12.470 -8.275 -8.194 2 HA ALA 1 HA ALA 1 11.672 -6.088 -8.844 3 HB1 ALA 1 HB1 ALA 1 10.859 -6.858 -11.073 4 HB2 ALA 1 HB2 ALA 1 9.471 -7.637 -10.281 5 HB3 ALA 1 HB3 ALA 1 9.667 -5.874 -10.223 6 H LEU 2 H LEU 2 11.774 -6.173 -6.621 7 HA LEU 2 HA LEU 2 11.018 -6.149 -4.513 8 HB2 LEU 2 HB2 LEU 2 8.399 -5.376 -5.879 9 HB3 LEU 2 HB3 LEU 2 8.700 -5.287 -4.150 10 HG LEU 2 HG LEU 2 10.235 -3.718 -6.247 11 HD11 LEU 2 HD11 LEU 2 8.943 -1.770 -5.305 12 HD12 LEU 2 HD12 LEU 2 7.918 -2.931 -4.439 13 HD13 LEU 2 HD13 LEU 2 7.972 -2.945 -6.208 14 HD21 LEU 2 HD21 LEU 2 10.407 -3.870 -3.223 15 HD22 LEU 2 HD22 LEU 2 10.847 -2.387 -4.100 16 HD23 LEU 2 HD23 LEU 2 11.690 -3.911 -4.419 17 H THR 3 H THR 3 7.849 -6.983 -4.894 18 HA THR 3 HA THR 3 8.012 -9.848 -5.054 19 HB THR 3 HB THR 3 6.926 -8.681 -2.455 20 HG1 THR 3 HG1 THR 3 8.923 -8.335 -2.010 21 HG21 THR 3 HG21 THR 3 6.083 -10.906 -3.066 22 HG22 THR 3 HG22 THR 3 7.184 -11.040 -1.691 23 HG23 THR 3 HG23 THR 3 7.747 -11.479 -3.286 24 H THR 4 H THR 4 5.840 -10.609 -5.554 25 HA THR 4 HA THR 4 3.631 -8.601 -5.610 26 HB THR 4 HB THR 4 2.969 -9.779 -7.784 27 HG1 THR 4 HG1 THR 4 4.660 -11.382 -7.490 28 HG21 THR 4 HG21 THR 4 3.676 -7.480 -7.879 29 HG22 THR 4 HG22 THR 4 4.458 -8.331 -9.212 30 HG23 THR 4 HG23 THR 4 5.388 -7.921 -7.749 31 H ILE 5 H ILE 5 2.196 -9.437 -4.202 32 HA ILE 5 HA ILE 5 2.103 -12.384 -3.860 33 HB ILE 5 HB ILE 5 3.149 -11.162 -2.050 34 HG12 ILE 5 HG12 ILE 5 0.516 -12.047 -0.895 35 HG13 ILE 5 HG13 ILE 5 1.652 -13.196 -1.624 36 HG21 ILE 5 HG21 ILE 5 2.039 -8.943 -2.281 37 HG22 ILE 5 HG22 ILE 5 0.528 -9.648 -1.691 38 HG23 ILE 5 HG23 ILE 5 1.939 -9.525 -0.627 39 HD11 ILE 5 HD11 ILE 5 3.441 -12.440 -0.118 40 HD12 ILE 5 HD12 ILE 5 2.342 -11.279 0.637 41 HD13 ILE 5 HD13 ILE 5 2.035 -13.019 0.802 42 H SER 6 H SER 6 0.081 -13.278 -3.186 43 HA SER 6 HA SER 6 -2.138 -12.350 -4.737 44 HB2 SER 6 HB2 SER 6 -1.861 -14.485 -2.572 45 HB3 SER 6 HB3 SER 6 -3.233 -14.341 -3.700 46 HG SER 6 HG SER 6 -1.152 -15.755 -4.163 47 HA PRO 7 HA PRO 7 -3.681 -9.561 -1.625 48 HB2 PRO 7 HB2 PRO 7 -6.377 -9.461 -2.153 49 HB3 PRO 7 HB3 PRO 7 -5.095 -8.714 -3.155 50 HG2 PRO 7 HG2 PRO 7 -6.406 -11.428 -3.555 51 HG3 PRO 7 HG3 PRO 7 -6.194 -10.126 -4.767 52 HD2 PRO 7 HD2 PRO 7 -4.447 -12.163 -4.638 53 HD3 PRO 7 HD3 PRO 7 -3.845 -10.492 -4.886 54 H HIS 8 H HIS 8 -4.858 -12.761 -1.772 55 HA HIS 8 HA HIS 8 -6.466 -12.808 0.642 56 HB2 HIS 8 HB2 HIS 8 -5.179 -15.174 -0.768 57 HB3 HIS 8 HB3 HIS 8 -6.606 -15.182 0.258 58 HD1 HIS 8 HD1 HIS 8 -5.959 -15.570 -3.221 59 HD2 HIS 8 HD2 HIS 8 -8.541 -13.121 -0.956 60 HE1 HIS 8 HE1 HIS 8 -7.662 -14.621 -4.849 61 H ASP 9 H ASP 9 -3.102 -13.779 -0.231 62 HA ASP 9 HA ASP 9 -2.398 -14.553 2.478 63 HB2 ASP 9 HB2 ASP 9 -0.927 -14.172 -0.123 64 HB3 ASP 9 HB3 ASP 9 0.003 -13.969 1.359 65 H ALA 10 H ALA 10 -2.321 -11.608 0.517 66 HA ALA 10 HA ALA 10 -0.844 -10.049 2.396 67 HB1 ALA 10 HB1 ALA 10 -2.866 -9.232 0.287 68 HB2 ALA 10 HB2 ALA 10 -1.653 -8.159 1.066 69 HB3 ALA 10 HB3 ALA 10 -1.142 -9.484 -0.013 70 H GLN 11 H GLN 11 -4.306 -10.756 2.095 71 HA GLN 11 HA GLN 11 -5.230 -8.920 4.084 72 HB2 GLN 11 HB2 GLN 11 -6.649 -9.981 2.363 73 HB3 GLN 11 HB3 GLN 11 -6.231 -11.568 2.976 74 HG2 GLN 11 HG2 GLN 11 -7.391 -10.913 5.130 75 HG3 GLN 11 HG3 GLN 11 -8.022 -9.510 4.264 76 HE21 GLN 11 HE21 GLN 11 -9.893 -11.108 5.309 77 HE22 GLN 11 HE22 GLN 11 -10.556 -12.256 4.163 78 H GLU 12 H GLU 12 -3.378 -11.912 4.247 79 HA GLU 12 HA GLU 12 -4.163 -12.594 6.935 80 HB2 GLU 12 HB2 GLU 12 -3.379 -14.023 4.818 81 HB3 GLU 12 HB3 GLU 12 -1.765 -13.694 5.437 82 HG2 GLU 12 HG2 GLU 12 -4.023 -15.060 6.914 83 HG3 GLU 12 HG3 GLU 12 -2.635 -15.798 6.113 84 H LEU 13 H LEU 13 -1.027 -11.660 5.413 85 HA LEU 13 HA LEU 13 0.330 -11.157 7.807 86 HB2 LEU 13 HB2 LEU 13 1.996 -9.970 6.359 87 HB3 LEU 13 HB3 LEU 13 1.538 -11.596 5.877 88 HG LEU 13 HG LEU 13 -0.206 -10.296 4.338 89 HD11 LEU 13 HD11 LEU 13 0.634 -8.343 3.318 90 HD12 LEU 13 HD12 LEU 13 2.072 -8.308 4.378 91 HD13 LEU 13 HD13 LEU 13 0.443 -8.004 5.000 92 HD21 LEU 13 HD21 LEU 13 1.311 -11.896 3.480 93 HD22 LEU 13 HD22 LEU 13 2.698 -10.818 3.736 94 HD23 LEU 13 HD23 LEU 13 1.445 -10.422 2.509 95 H ILE 14 H ILE 14 -1.612 -8.796 5.872 96 HA ILE 14 HA ILE 14 -0.791 -6.534 7.373 97 HB ILE 14 HB ILE 14 -2.763 -7.254 5.397 98 HG12 ILE 14 HG12 ILE 14 -2.118 -4.401 5.944 99 HG13 ILE 14 HG13 ILE 14 -0.792 -5.502 5.571 100 HG21 ILE 14 HG21 ILE 14 -4.509 -7.074 6.869 101 HG22 ILE 14 HG22 ILE 14 -3.934 -5.495 7.501 102 HG23 ILE 14 HG23 ILE 14 -4.523 -5.626 5.822 103 HD11 ILE 14 HD11 ILE 14 -1.684 -4.398 3.547 104 HD12 ILE 14 HD12 ILE 14 -1.780 -6.183 3.479 105 HD13 ILE 14 HD13 ILE 14 -3.237 -5.221 3.814 106 H ALA 15 H ALA 15 -3.473 -8.845 8.039 107 HA ALA 15 HA ALA 15 -4.257 -7.529 10.452 108 HB1 ALA 15 HB1 ALA 15 -4.742 -10.388 9.502 109 HB2 ALA 15 HB2 ALA 15 -5.622 -9.569 10.803 110 HB3 ALA 15 HB3 ALA 15 -5.761 -8.981 9.135 111 H ARG 16 H ARG 16 -1.350 -8.892 9.942 112 HA ARG 16 HA ARG 16 -1.050 -10.009 12.691 113 HB2 ARG 16 HB2 ARG 16 0.596 -10.565 10.223 114 HB3 ARG 16 HB3 ARG 16 0.842 -11.255 11.815 115 HG2 ARG 16 HG2 ARG 16 -1.839 -11.590 10.375 116 HG3 ARG 16 HG3 ARG 16 -0.443 -12.570 9.997 117 HD2 ARG 16 HD2 ARG 16 -0.344 -13.015 12.589 118 HD3 ARG 16 HD3 ARG 16 -2.033 -12.456 12.562 119 HE ARG 16 HE ARG 16 -2.113 -14.204 10.553 120 HH11 ARG 16 HH11 ARG 16 -0.630 -14.858 13.739 121 HH12 ARG 16 HH12 ARG 16 -0.141 -16.458 13.218 122 HH21 ARG 16 HH21 ARG 16 -1.929 -16.237 10.179 123 HH22 ARG 16 HH22 ARG 16 -1.271 -17.397 11.306 124 H GLY 17 H GLY 17 -0.268 -7.333 10.620 125 HA2 GLY 17 HA2 GLY 17 0.778 -5.564 12.105 126 HA3 GLY 17 HA3 GLY 17 2.144 -6.664 12.248 127 H ALA 18 H ALA 18 1.364 -7.191 9.048 128 HA ALA 18 HA ALA 18 3.559 -5.576 8.130 129 HB1 ALA 18 HB1 ALA 18 1.262 -6.756 6.555 130 HB2 ALA 18 HB2 ALA 18 2.783 -6.166 5.880 131 HB3 ALA 18 HB3 ALA 18 2.795 -7.597 6.935 132 H LYS 19 H LYS 19 3.528 -3.393 6.958 133 HA LYS 19 HA LYS 19 1.004 -1.920 7.352 134 HB2 LYS 19 HB2 LYS 19 3.985 -1.257 7.320 135 HB3 LYS 19 HB3 LYS 19 2.727 -0.053 7.347 136 HG2 LYS 19 HG2 LYS 19 3.306 -2.108 9.535 137 HG3 LYS 19 HG3 LYS 19 3.762 -0.410 9.536 138 HD2 LYS 19 HD2 LYS 19 1.936 -0.303 10.854 139 HD3 LYS 19 HD3 LYS 19 1.183 0.042 9.290 140 HE2 LYS 19 HE2 LYS 19 0.481 -2.379 9.153 141 HE3 LYS 19 HE3 LYS 19 1.180 -2.638 10.755 142 HZ1 LYS 19 HZ1 LYS 19 -0.438 -0.921 11.533 143 HZ2 LYS 19 HZ2 LYS 19 -1.148 -2.272 10.912 144 HZ3 LYS 19 HZ3 LYS 19 -1.115 -0.930 10.011 145 H LEU 20 H LEU 20 0.540 -0.318 5.638 146 HA LEU 20 HA LEU 20 1.838 -0.959 3.058 147 HB2 LEU 20 HB2 LEU 20 -0.424 -2.025 3.423 148 HB3 LEU 20 HB3 LEU 20 -1.117 -0.412 3.457 149 HG LEU 20 HG LEU 20 0.582 -1.261 1.126 150 HD11 LEU 20 HD11 LEU 20 -1.495 -2.107 0.042 151 HD12 LEU 20 HD12 LEU 20 -2.356 -1.908 1.600 152 HD13 LEU 20 HD13 LEU 20 -1.043 -3.066 1.468 153 HD21 LEU 20 HD21 LEU 20 -0.633 1.169 1.609 154 HD22 LEU 20 HD22 LEU 20 -1.883 0.345 0.722 155 HD23 LEU 20 HD23 LEU 20 -0.274 0.524 0.009 156 H ILE 21 H ILE 21 2.153 0.887 1.711 157 HA ILE 21 HA ILE 21 1.617 3.520 3.047 158 HB ILE 21 HB ILE 21 3.849 2.835 1.131 159 HG12 ILE 21 HG12 ILE 21 4.458 1.698 3.099 160 HG13 ILE 21 HG13 ILE 21 5.411 3.160 3.048 161 HG21 ILE 21 HG21 ILE 21 3.374 5.294 2.830 162 HG22 ILE 21 HG22 ILE 21 4.764 5.024 1.748 163 HG23 ILE 21 HG23 ILE 21 3.142 5.221 1.085 164 HD11 ILE 21 HD11 ILE 21 3.033 2.593 4.872 165 HD12 ILE 21 HD12 ILE 21 4.696 2.792 5.314 166 HD13 ILE 21 HD13 ILE 21 3.802 4.203 4.741 167 H ASP 22 H ASP 22 0.396 4.862 2.059 168 HA ASP 22 HA ASP 22 -0.832 4.263 -0.519 169 HB2 ASP 22 HB2 ASP 22 -1.138 6.413 1.595 170 HB3 ASP 22 HB3 ASP 22 -1.938 6.543 0.037 171 H ILE 23 H ILE 23 1.425 4.400 -1.613 172 HA ILE 23 HA ILE 23 2.510 7.110 -1.913 173 HB ILE 23 HB ILE 23 4.148 6.210 -3.391 174 HG12 ILE 23 HG12 ILE 23 3.798 3.330 -3.073 175 HG13 ILE 23 HG13 ILE 23 2.371 4.015 -3.824 176 HG21 ILE 23 HG21 ILE 23 4.479 6.093 -0.942 177 HG22 ILE 23 HG22 ILE 23 3.875 4.429 -0.955 178 HG23 ILE 23 HG23 ILE 23 5.370 4.826 -1.824 179 HD11 ILE 23 HD11 ILE 23 3.968 3.336 -5.506 180 HD12 ILE 23 HD12 ILE 23 3.681 5.077 -5.559 181 HD13 ILE 23 HD13 ILE 23 5.182 4.457 -4.822 182 H ARG 24 H ARG 24 0.147 7.631 -2.484 183 HA ARG 24 HA ARG 24 -0.106 7.850 -5.459 184 HB2 ARG 24 HB2 ARG 24 -2.653 7.482 -5.051 185 HB3 ARG 24 HB3 ARG 24 -1.587 6.112 -5.239 186 HG2 ARG 24 HG2 ARG 24 -1.674 5.463 -3.025 187 HG3 ARG 24 HG3 ARG 24 -2.013 7.094 -2.433 188 HD2 ARG 24 HD2 ARG 24 -4.297 6.878 -3.670 189 HD3 ARG 24 HD3 ARG 24 -3.988 5.142 -3.595 190 HE ARG 24 HE ARG 24 -3.601 6.503 -1.056 191 HH11 ARG 24 HH11 ARG 24 -6.198 5.212 -3.110 192 HH12 ARG 24 HH12 ARG 24 -7.241 4.808 -1.827 193 HH21 ARG 24 HH21 ARG 24 -4.969 5.858 0.704 194 HH22 ARG 24 HH22 ARG 24 -6.596 5.395 0.379 195 H ASP 25 H ASP 25 -2.683 8.898 -3.205 196 HA ASP 25 HA ASP 25 -1.694 11.614 -3.015 197 HB2 ASP 25 HB2 ASP 25 -3.655 10.712 -5.090 198 HB3 ASP 25 HB3 ASP 25 -4.191 12.079 -4.133 199 H ALA 26 H ALA 26 -3.101 12.828 -1.714 200 HA ALA 26 HA ALA 26 -4.456 11.360 0.387 201 HB1 ALA 26 HB1 ALA 26 -4.754 13.580 1.343 202 HB2 ALA 26 HB2 ALA 26 -3.115 13.482 0.684 203 HB3 ALA 26 HB3 ALA 26 -4.382 14.361 -0.206 204 H ASP 27 H ASP 27 -5.407 13.121 -2.519 205 HA ASP 27 HA ASP 27 -8.167 13.435 -1.947 206 HB2 ASP 27 HB2 ASP 27 -6.369 14.222 -3.956 207 HB3 ASP 27 HB3 ASP 27 -7.520 13.193 -4.807 208 H GLU 28 H GLU 28 -6.415 10.616 -2.626 209 HA GLU 28 HA GLU 28 -8.684 9.138 -3.831 210 HB2 GLU 28 HB2 GLU 28 -5.941 8.143 -3.001 211 HB3 GLU 28 HB3 GLU 28 -7.126 7.263 -3.972 212 HG2 GLU 28 HG2 GLU 28 -5.586 9.755 -4.758 213 HG3 GLU 28 HG3 GLU 28 -5.332 8.131 -5.386 214 H TYR 29 H TYR 29 -6.735 9.310 -0.865 215 HA TYR 29 HA TYR 29 -7.942 7.279 0.714 216 HB2 TYR 29 HB2 TYR 29 -6.026 8.142 1.639 217 HB3 TYR 29 HB3 TYR 29 -6.418 9.802 1.248 218 HD1 TYR 29 HD1 TYR 29 -6.932 7.109 3.736 219 HD2 TYR 29 HD2 TYR 29 -7.946 11.152 2.599 220 HE1 TYR 29 HE1 TYR 29 -7.912 7.483 5.956 221 HE2 TYR 29 HE2 TYR 29 -9.091 11.464 4.762 222 HH TYR 29 HH TYR 29 -9.992 10.286 6.587 223 H LEU 30 H LEU 30 -8.916 10.621 0.018 224 HA LEU 30 HA LEU 30 -11.041 11.005 1.808 225 HB2 LEU 30 HB2 LEU 30 -9.837 12.610 0.270 226 HB3 LEU 30 HB3 LEU 30 -10.735 11.944 -1.088 227 HG LEU 30 HG LEU 30 -11.924 13.403 1.295 228 HD11 LEU 30 HD11 LEU 30 -10.514 14.835 -0.114 229 HD12 LEU 30 HD12 LEU 30 -12.206 15.274 -0.324 230 HD13 LEU 30 HD13 LEU 30 -11.378 14.319 -1.568 231 HD21 LEU 30 HD21 LEU 30 -13.934 13.659 -0.298 232 HD22 LEU 30 HD22 LEU 30 -13.732 12.094 0.440 233 HD23 LEU 30 HD23 LEU 30 -13.224 12.337 -1.251 234 H ARG 31 H ARG 31 -11.015 9.584 -1.468 235 HA ARG 31 HA ARG 31 -13.856 9.064 -1.525 236 HB2 ARG 31 HB2 ARG 31 -11.501 8.225 -3.280 237 HB3 ARG 31 HB3 ARG 31 -13.147 7.684 -3.591 238 HG2 ARG 31 HG2 ARG 31 -12.436 10.626 -3.327 239 HG3 ARG 31 HG3 ARG 31 -12.373 9.765 -4.873 240 HD2 ARG 31 HD2 ARG 31 -14.628 9.444 -5.018 241 HD3 ARG 31 HD3 ARG 31 -14.896 9.489 -3.271 242 HE ARG 31 HE ARG 31 -14.027 12.039 -4.004 243 HH11 ARG 31 HH11 ARG 31 -16.813 9.868 -4.618 244 HH12 ARG 31 HH12 ARG 31 -17.871 11.185 -5.081 245 HH21 ARG 31 HH21 ARG 31 -15.615 13.713 -4.079 246 HH22 ARG 31 HH22 ARG 31 -17.240 13.393 -4.610 247 H GLU 32 H GLU 32 -10.977 6.899 -1.199 248 HA GLU 32 HA GLU 32 -12.580 5.020 0.372 249 HB2 GLU 32 HB2 GLU 32 -11.443 3.231 -1.264 250 HB3 GLU 32 HB3 GLU 32 -13.075 3.849 -1.536 251 HG2 GLU 32 HG2 GLU 32 -12.383 5.236 -3.308 252 HG3 GLU 32 HG3 GLU 32 -10.658 5.065 -2.900 253 H HIS 33 H HIS 33 -11.010 3.040 0.873 254 HA HIS 33 HA HIS 33 -8.244 4.157 1.097 255 HB2 HIS 33 HB2 HIS 33 -9.306 2.588 3.396 256 HB3 HIS 33 HB3 HIS 33 -7.844 3.560 3.189 257 HD1 HIS 33 HD1 HIS 33 -9.947 6.224 2.245 258 HD2 HIS 33 HD2 HIS 33 -9.378 3.949 5.764 259 HE1 HIS 33 HE1 HIS 33 -10.815 7.612 4.128 260 H ILE 34 H ILE 34 -7.682 1.562 2.554 261 HA ILE 34 HA ILE 34 -7.906 -0.473 0.465 262 HB ILE 34 HB ILE 34 -5.916 1.436 0.284 263 HG12 ILE 34 HG12 ILE 34 -6.230 -1.166 -0.895 264 HG13 ILE 34 HG13 ILE 34 -5.737 0.383 -1.527 265 HG21 ILE 34 HG21 ILE 34 -4.488 -0.596 1.968 266 HG22 ILE 34 HG22 ILE 34 -3.948 0.963 1.284 267 HG23 ILE 34 HG23 ILE 34 -5.195 0.907 2.556 268 HD11 ILE 34 HD11 ILE 34 -3.424 -0.020 -0.859 269 HD12 ILE 34 HD12 ILE 34 -3.855 -1.627 -0.268 270 HD13 ILE 34 HD13 ILE 34 -4.049 -1.257 -1.975 271 HA PRO 35 HA PRO 35 -7.323 -2.947 4.204 272 HB2 PRO 35 HB2 PRO 35 -5.605 -4.956 3.565 273 HB3 PRO 35 HB3 PRO 35 -7.280 -4.865 2.977 274 HG2 PRO 35 HG2 PRO 35 -4.772 -4.355 1.399 275 HG3 PRO 35 HG3 PRO 35 -6.278 -4.906 0.849 276 HD2 PRO 35 HD2 PRO 35 -5.375 -2.312 0.795 277 HD3 PRO 35 HD3 PRO 35 -7.062 -2.793 0.455 278 H GLU 36 H GLU 36 -6.427 -1.601 5.624 279 HA GLU 36 HA GLU 36 -5.022 -0.488 6.974 280 HB2 GLU 36 HB2 GLU 36 -4.548 -3.238 6.909 281 HB3 GLU 36 HB3 GLU 36 -2.955 -2.587 6.970 282 HG2 GLU 36 HG2 GLU 36 -5.222 -2.099 8.935 283 HG3 GLU 36 HG3 GLU 36 -3.766 -3.060 9.203 284 H ALA 37 H ALA 37 -4.318 1.397 5.708 285 HA ALA 37 HA ALA 37 -1.406 1.259 5.150 286 HB1 ALA 37 HB1 ALA 37 -1.717 2.669 3.163 287 HB2 ALA 37 HB2 ALA 37 -2.618 1.156 3.022 288 HB3 ALA 37 HB3 ALA 37 -3.468 2.664 3.433 289 H ASP 38 H ASP 38 -0.491 3.527 4.824 290 HA ASP 38 HA ASP 38 -1.630 5.489 6.753 291 HB2 ASP 38 HB2 ASP 38 0.350 4.025 7.578 292 HB3 ASP 38 HB3 ASP 38 1.329 5.034 6.511 293 H LEU 39 H LEU 39 -1.690 7.565 5.908 294 HA LEU 39 HA LEU 39 -1.294 7.876 3.106 295 HB2 LEU 39 HB2 LEU 39 -3.108 9.004 4.231 296 HB3 LEU 39 HB3 LEU 39 -1.976 9.913 5.233 297 HG LEU 39 HG LEU 39 -1.115 11.104 3.252 298 HD11 LEU 39 HD11 LEU 39 -1.393 9.401 1.476 299 HD12 LEU 39 HD12 LEU 39 -2.217 10.890 1.047 300 HD13 LEU 39 HD13 LEU 39 -3.160 9.506 1.642 301 HD21 LEU 39 HD21 LEU 39 -4.153 11.168 3.255 302 HD22 LEU 39 HD22 LEU 39 -3.038 12.474 2.804 303 HD23 LEU 39 HD23 LEU 39 -3.129 11.938 4.482 304 H ALA 40 H ALA 40 0.682 7.965 2.200 305 HA ALA 40 HA ALA 40 2.467 10.191 2.796 306 HB1 ALA 40 HB1 ALA 40 3.319 7.347 3.288 307 HB2 ALA 40 HB2 ALA 40 4.433 8.709 3.043 308 HB3 ALA 40 HB3 ALA 40 3.334 8.693 4.435 309 HA PRO 41 HA PRO 41 1.857 9.033 -1.623 310 HB2 PRO 41 HB2 PRO 41 2.023 11.576 -2.652 311 HB3 PRO 41 HB3 PRO 41 0.529 10.873 -1.957 312 HG2 PRO 41 HG2 PRO 41 2.551 12.674 -0.605 313 HG3 PRO 41 HG3 PRO 41 0.764 12.836 -0.624 314 HD2 PRO 41 HD2 PRO 41 2.068 11.694 1.450 315 HD3 PRO 41 HD3 PRO 41 0.503 11.035 0.896 316 H LEU 42 H LEU 42 3.340 9.546 -3.587 317 HA LEU 42 HA LEU 42 5.988 8.922 -2.989 318 HB2 LEU 42 HB2 LEU 42 4.880 8.687 -5.227 319 HB3 LEU 42 HB3 LEU 42 4.941 10.448 -5.397 320 HG LEU 42 HG LEU 42 7.493 10.279 -5.221 321 HD11 LEU 42 HD11 LEU 42 8.474 8.054 -5.782 322 HD12 LEU 42 HD12 LEU 42 6.866 7.305 -5.536 323 HD13 LEU 42 HD13 LEU 42 7.726 8.081 -4.192 324 HD21 LEU 42 HD21 LEU 42 6.395 10.677 -7.308 325 HD22 LEU 42 HD22 LEU 42 6.039 8.956 -7.531 326 HD23 LEU 42 HD23 LEU 42 7.725 9.564 -7.565 327 H SER 43 H SER 43 4.428 12.104 -3.187 328 HA SER 43 HA SER 43 6.434 13.864 -3.472 329 HB2 SER 43 HB2 SER 43 4.257 14.223 -1.397 330 HB3 SER 43 HB3 SER 43 4.992 15.439 -2.457 331 HG SER 43 HG SER 43 2.984 14.835 -3.233 332 H VAL 44 H VAL 44 5.374 12.634 -0.223 333 HA VAL 44 HA VAL 44 7.641 13.786 1.088 334 HB VAL 44 HB VAL 44 5.624 13.555 2.200 335 HG11 VAL 44 HG11 VAL 44 4.593 11.500 3.014 336 HG12 VAL 44 HG12 VAL 44 4.506 11.679 1.265 337 HG13 VAL 44 HG13 VAL 44 5.684 10.565 1.982 338 HG21 VAL 44 HG21 VAL 44 7.681 11.694 3.470 339 HG22 VAL 44 HG22 VAL 44 7.668 13.457 3.552 340 HG23 VAL 44 HG23 VAL 44 6.384 12.519 4.334 341 H LEU 45 H LEU 45 6.921 10.597 -0.114 342 HA LEU 45 HA LEU 45 9.116 9.107 0.979 343 HB2 LEU 45 HB2 LEU 45 7.867 8.842 -1.780 344 HB3 LEU 45 HB3 LEU 45 9.100 7.786 -1.217 345 HG LEU 45 HG LEU 45 6.430 7.321 -1.089 346 HD11 LEU 45 HD11 LEU 45 6.964 5.378 0.315 347 HD12 LEU 45 HD12 LEU 45 8.502 6.109 0.793 348 HD13 LEU 45 HD13 LEU 45 8.211 5.617 -0.909 349 HD21 LEU 45 HD21 LEU 45 5.695 7.179 1.185 350 HD22 LEU 45 HD22 LEU 45 6.063 8.840 0.815 351 HD23 LEU 45 HD23 LEU 45 7.236 7.873 1.780 352 H GLU 46 H GLU 46 9.037 11.240 -1.910 353 HA GLU 46 HA GLU 46 11.812 10.759 -2.583 354 HB2 GLU 46 HB2 GLU 46 9.463 12.365 -3.591 355 HB3 GLU 46 HB3 GLU 46 11.059 12.844 -4.104 356 HG2 GLU 46 HG2 GLU 46 10.281 9.926 -4.337 357 HG3 GLU 46 HG3 GLU 46 9.677 11.095 -5.504 358 H GLN 47 H GLN 47 9.920 13.402 -0.984 359 HA GLN 47 HA GLN 47 12.040 15.280 -0.857 360 HB2 GLN 47 HB2 GLN 47 9.545 14.788 0.808 361 HB3 GLN 47 HB3 GLN 47 10.626 16.124 1.144 362 HG2 GLN 47 HG2 GLN 47 9.517 15.798 -1.641 363 HG3 GLN 47 HG3 GLN 47 8.542 16.534 -0.365 364 HE21 GLN 47 HE21 GLN 47 8.644 18.776 -0.518 365 HE22 GLN 47 HE22 GLN 47 10.188 19.622 -0.649 366 H SER 48 H SER 48 11.227 12.521 1.208 367 HA SER 48 HA SER 48 13.862 12.772 2.530 368 HB2 SER 48 HB2 SER 48 11.202 12.964 3.973 369 HB3 SER 48 HB3 SER 48 12.625 12.265 4.755 370 HG SER 48 HG SER 48 12.275 14.915 3.786 371 H GLY 49 H GLY 49 10.914 10.778 3.325 372 HA2 GLY 49 HA2 GLY 49 11.423 8.514 1.878 373 HA3 GLY 49 HA3 GLY 49 12.593 8.464 3.202 374 H LEU 50 H LEU 50 11.596 6.620 3.770 375 HA LEU 50 HA LEU 50 9.022 5.968 4.497 376 HB2 LEU 50 HB2 LEU 50 10.872 4.439 4.021 377 HB3 LEU 50 HB3 LEU 50 11.798 5.083 5.367 378 HG LEU 50 HG LEU 50 9.877 4.138 6.894 379 HD11 LEU 50 HD11 LEU 50 8.832 2.130 5.923 380 HD12 LEU 50 HD12 LEU 50 9.432 2.585 4.316 381 HD13 LEU 50 HD13 LEU 50 8.256 3.614 5.150 382 HD21 LEU 50 HD21 LEU 50 11.040 1.834 6.687 383 HD22 LEU 50 HD22 LEU 50 12.015 3.256 7.097 384 HD23 LEU 50 HD23 LEU 50 12.052 2.605 5.464 385 HA PRO 51 HA PRO 51 8.889 8.136 8.560 386 HB2 PRO 51 HB2 PRO 51 6.382 7.245 9.364 387 HB3 PRO 51 HB3 PRO 51 6.609 8.562 8.159 388 HG2 PRO 51 HG2 PRO 51 6.122 5.614 7.697 389 HG3 PRO 51 HG3 PRO 51 5.309 7.011 6.899 390 HD2 PRO 51 HD2 PRO 51 7.310 5.607 5.765 391 HD3 PRO 51 HD3 PRO 51 7.196 7.387 5.568 392 H ALA 52 H ALA 52 9.485 7.409 10.606 393 HA ALA 52 HA ALA 52 10.380 4.795 11.004 394 HB1 ALA 52 HB1 ALA 52 9.586 6.865 13.075 395 HB2 ALA 52 HB2 ALA 52 10.603 5.438 13.345 396 HB3 ALA 52 HB3 ALA 52 11.171 6.719 12.271 397 H LYS 53 H LYS 53 7.103 6.086 11.644 398 HA LYS 53 HA LYS 53 6.220 4.058 13.392 399 HB2 LYS 53 HB2 LYS 53 4.296 4.963 11.264 400 HB3 LYS 53 HB3 LYS 53 4.014 4.603 12.946 401 HG2 LYS 53 HG2 LYS 53 5.086 6.746 13.565 402 HG3 LYS 53 HG3 LYS 53 5.349 7.095 11.849 403 HD2 LYS 53 HD2 LYS 53 2.605 6.596 13.113 404 HD3 LYS 53 HD3 LYS 53 3.313 8.178 12.813 405 HE2 LYS 53 HE2 LYS 53 3.490 7.522 10.339 406 HE3 LYS 53 HE3 LYS 53 2.534 6.085 10.742 407 HZ1 LYS 53 HZ1 LYS 53 1.659 8.890 10.927 408 HZ2 LYS 53 HZ2 LYS 53 0.755 7.625 11.474 409 HZ3 LYS 53 HZ3 LYS 53 1.113 7.708 9.886 410 H LEU 54 H LEU 54 5.913 4.124 9.821 411 HA LEU 54 HA LEU 54 5.225 1.268 9.803 412 HB2 LEU 54 HB2 LEU 54 5.468 3.165 7.446 413 HB3 LEU 54 HB3 LEU 54 4.619 1.637 7.536 414 HG LEU 54 HG LEU 54 2.908 3.104 7.462 415 HD11 LEU 54 HD11 LEU 54 3.178 3.064 10.490 416 HD12 LEU 54 HD12 LEU 54 2.704 1.681 9.511 417 HD13 LEU 54 HD13 LEU 54 1.706 3.129 9.501 418 HD21 LEU 54 HD21 LEU 54 2.763 5.243 8.781 419 HD22 LEU 54 HD22 LEU 54 3.879 5.176 7.418 420 HD23 LEU 54 HD23 LEU 54 4.487 5.086 9.084 421 H ARG 55 H ARG 55 8.038 2.028 10.542 422 HA ARG 55 HA ARG 55 9.537 1.335 8.120 423 HB2 ARG 55 HB2 ARG 55 11.496 1.739 9.314 424 HB3 ARG 55 HB3 ARG 55 10.365 2.961 9.843 425 HG2 ARG 55 HG2 ARG 55 10.823 2.361 11.973 426 HG3 ARG 55 HG3 ARG 55 10.009 0.814 11.682 427 HD2 ARG 55 HD2 ARG 55 12.297 0.005 10.788 428 HD3 ARG 55 HD3 ARG 55 12.944 1.547 11.373 429 HE ARG 55 HE ARG 55 11.665 0.610 13.557 430 HH11 ARG 55 HH11 ARG 55 13.971 -1.089 11.424 431 HH12 ARG 55 HH12 ARG 55 14.622 -2.081 12.667 432 HH21 ARG 55 HH21 ARG 55 12.477 -0.746 15.197 433 HH22 ARG 55 HH22 ARG 55 13.846 -1.771 14.903 434 H HIS 56 H HIS 56 7.644 -0.478 9.919 435 HA HIS 56 HA HIS 56 8.740 -2.633 11.041 436 HB2 HIS 56 HB2 HIS 56 6.313 -2.114 10.705 437 HB3 HIS 56 HB3 HIS 56 6.438 -2.748 9.057 438 HD1 HIS 56 HD1 HIS 56 5.872 -5.307 8.931 439 HD2 HIS 56 HD2 HIS 56 7.366 -3.984 12.654 440 HE1 HIS 56 HE1 HIS 56 6.005 -7.374 10.461 441 H GLU 57 H GLU 57 9.508 -4.663 10.507 442 HA GLU 57 HA GLU 57 11.314 -4.925 8.443 443 HB2 GLU 57 HB2 GLU 57 10.863 -6.145 10.765 444 HB3 GLU 57 HB3 GLU 57 10.017 -7.313 9.756 445 HG2 GLU 57 HG2 GLU 57 12.217 -7.351 8.345 446 HG3 GLU 57 HG3 GLU 57 12.931 -6.445 9.686 447 H GLN 58 H GLN 58 7.911 -5.342 8.190 448 HA GLN 58 HA GLN 58 8.105 -6.359 5.416 449 HB2 GLN 58 HB2 GLN 58 6.289 -7.437 7.628 450 HB3 GLN 58 HB3 GLN 58 5.981 -7.672 5.927 451 HG2 GLN 58 HG2 GLN 58 6.988 -9.660 6.427 452 HG3 GLN 58 HG3 GLN 58 8.353 -8.744 5.802 453 HE21 GLN 58 HE21 GLN 58 10.161 -9.141 7.029 454 HE22 GLN 58 HE22 GLN 58 10.221 -9.473 8.735 455 H ILE 59 H ILE 59 7.120 -4.968 4.137 456 HA ILE 59 HA ILE 59 4.791 -3.451 5.094 457 HB ILE 59 HB ILE 59 5.533 -1.473 4.747 458 HG12 ILE 59 HG12 ILE 59 8.015 -1.245 3.468 459 HG13 ILE 59 HG13 ILE 59 7.113 -2.426 2.536 460 HG21 ILE 59 HG21 ILE 59 8.151 -2.648 5.605 461 HG22 ILE 59 HG22 ILE 59 7.684 -0.968 5.814 462 HG23 ILE 59 HG23 ILE 59 6.767 -2.214 6.649 463 HD11 ILE 59 HD11 ILE 59 6.746 0.485 2.734 464 HD12 ILE 59 HD12 ILE 59 6.337 -0.630 1.432 465 HD13 ILE 59 HD13 ILE 59 5.234 -0.435 2.807 466 H ILE 60 H ILE 60 3.998 -2.234 2.984 467 HA ILE 60 HA ILE 60 4.280 -3.773 0.466 468 HB ILE 60 HB ILE 60 1.678 -3.349 2.001 469 HG12 ILE 60 HG12 ILE 60 3.318 -5.740 1.183 470 HG13 ILE 60 HG13 ILE 60 2.723 -5.348 2.761 471 HG21 ILE 60 HG21 ILE 60 0.468 -4.244 0.102 472 HG22 ILE 60 HG22 ILE 60 1.294 -2.795 -0.358 473 HG23 ILE 60 HG23 ILE 60 1.976 -4.385 -0.845 474 HD11 ILE 60 HD11 ILE 60 0.441 -6.012 2.124 475 HD12 ILE 60 HD12 ILE 60 1.005 -6.318 0.434 476 HD13 ILE 60 HD13 ILE 60 1.596 -7.298 1.779 477 H PHE 61 H PHE 61 3.728 -2.552 -1.343 478 HA PHE 61 HA PHE 61 3.178 0.367 -0.966 479 HB2 PHE 61 HB2 PHE 61 5.171 -1.175 -2.654 480 HB3 PHE 61 HB3 PHE 61 4.527 0.343 -3.287 481 HD1 PHE 61 HD1 PHE 61 4.340 2.171 -1.018 482 HD2 PHE 61 HD2 PHE 61 7.350 -0.717 -1.999 483 HE1 PHE 61 HE1 PHE 61 5.964 3.390 0.373 484 HE2 PHE 61 HE2 PHE 61 8.956 0.438 -0.536 485 HZ PHE 61 HZ PHE 61 8.293 2.558 0.620 486 H HIS 62 H HIS 62 1.446 1.201 -2.112 487 HA HIS 62 HA HIS 62 0.444 -0.214 -4.490 488 HB2 HIS 62 HB2 HIS 62 -1.423 -0.912 -3.448 489 HB3 HIS 62 HB3 HIS 62 -0.850 -0.329 -1.914 490 HD1 HIS 62 HD1 HIS 62 -3.542 0.257 -4.356 491 HD2 HIS 62 HD2 HIS 62 -1.495 2.442 -1.407 492 HE1 HIS 62 HE1 HIS 62 -4.871 2.426 -3.983 493 H CYS 63 H CYS 63 -0.567 1.328 -5.967 494 HA CYS 63 HA CYS 63 -0.654 4.126 -5.082 495 HB2 CYS 63 HB2 CYS 63 0.484 4.839 -7.208 496 HB3 CYS 63 HB3 CYS 63 1.507 4.177 -5.929 497 HG CYS 63 HG CYS 63 2.297 3.559 -8.373 498 H GLN 64 H GLN 64 -2.875 3.591 -5.076 499 HA GLN 64 HA GLN 64 -5.001 3.655 -5.950 500 HB2 GLN 64 HB2 GLN 64 -3.712 5.724 -6.980 501 HB3 GLN 64 HB3 GLN 64 -3.878 4.838 -8.491 502 HG2 GLN 64 HG2 GLN 64 -6.423 4.850 -8.007 503 HG3 GLN 64 HG3 GLN 64 -6.056 5.999 -6.712 504 HE21 GLN 64 HE21 GLN 64 -4.539 7.975 -7.513 505 HE22 GLN 64 HE22 GLN 64 -4.996 8.586 -9.059 506 H ALA 65 H ALA 65 -5.976 3.195 -8.676 507 HA ALA 65 HA ALA 65 -5.476 0.278 -8.888 508 HB1 ALA 65 HB1 ALA 65 -7.301 2.156 -10.473 509 HB2 ALA 65 HB2 ALA 65 -7.359 0.389 -10.458 510 HB3 ALA 65 HB3 ALA 65 -7.820 1.301 -9.008 511 H GLY 66 H GLY 66 -3.156 1.974 -9.528 512 HA2 GLY 66 HA2 GLY 66 -3.095 1.835 -12.516 513 HA3 GLY 66 HA3 GLY 66 -2.138 2.875 -11.475 514 H LYS 67 H LYS 67 -1.771 0.463 -13.484 515 HA LYS 67 HA LYS 67 -0.070 -1.351 -11.947 516 HB2 LYS 67 HB2 LYS 67 0.362 -2.393 -14.083 517 HB3 LYS 67 HB3 LYS 67 -1.357 -2.248 -13.799 518 HG2 LYS 67 HG2 LYS 67 -1.667 -0.687 -15.515 519 HG3 LYS 67 HG3 LYS 67 0.004 -0.154 -15.516 520 HD2 LYS 67 HD2 LYS 67 0.597 -2.588 -16.278 521 HD3 LYS 67 HD3 LYS 67 -1.126 -2.743 -16.617 522 HE2 LYS 67 HE2 LYS 67 0.058 -2.178 -18.638 523 HE3 LYS 67 HE3 LYS 67 -0.959 -0.808 -18.192 524 HZ1 LYS 67 HZ1 LYS 67 1.919 -0.947 -17.491 525 HZ2 LYS 67 HZ2 LYS 67 0.957 0.368 -17.435 526 HZ3 LYS 67 HZ3 LYS 67 1.356 -0.262 -18.888 527 H ARG 68 H ARG 68 0.822 0.865 -11.228 528 HA ARG 68 HA ARG 68 3.307 1.499 -12.727 529 HB2 ARG 68 HB2 ARG 68 2.961 3.854 -12.321 530 HB3 ARG 68 HB3 ARG 68 1.570 3.171 -13.151 531 HG2 ARG 68 HG2 ARG 68 0.701 2.949 -10.561 532 HG3 ARG 68 HG3 ARG 68 1.774 4.339 -10.395 533 HD2 ARG 68 HD2 ARG 68 -0.567 4.014 -12.306 534 HD3 ARG 68 HD3 ARG 68 -0.545 5.024 -10.843 535 HE ARG 68 HE ARG 68 1.496 6.086 -12.187 536 HH11 ARG 68 HH11 ARG 68 -1.815 5.362 -13.256 537 HH12 ARG 68 HH12 ARG 68 -1.698 6.276 -14.704 538 HH21 ARG 68 HH21 ARG 68 1.555 7.550 -13.989 539 HH22 ARG 68 HH22 ARG 68 0.186 7.657 -15.047 540 H THR 69 H THR 69 2.531 -0.108 -10.024 541 HA THR 69 HA THR 69 3.992 1.535 -8.101 542 HB THR 69 HB THR 69 3.634 -1.381 -7.612 543 HG1 THR 69 HG1 THR 69 1.526 0.436 -8.012 544 HG21 THR 69 HG21 THR 69 3.097 1.158 -5.985 545 HG22 THR 69 HG22 THR 69 4.514 0.090 -5.843 546 HG23 THR 69 HG23 THR 69 2.899 -0.494 -5.403 547 H SER 70 H SER 70 4.703 -1.528 -9.906 548 HA SER 70 HA SER 70 7.337 -1.889 -9.168 549 HB2 SER 70 HB2 SER 70 7.062 -2.998 -11.710 550 HB3 SER 70 HB3 SER 70 6.660 -3.760 -10.171 551 HG SER 70 HG SER 70 4.803 -3.965 -11.146 552 H ASN 71 H ASN 71 6.133 0.623 -11.098 553 HA ASN 71 HA ASN 71 8.154 1.091 -13.011 554 HB2 ASN 71 HB2 ASN 71 6.141 2.791 -11.652 555 HB3 ASN 71 HB3 ASN 71 7.517 3.671 -12.235 556 HD21 ASN 71 HD21 ASN 71 7.965 3.799 -14.500 557 HD22 ASN 71 HD22 ASN 71 6.736 3.420 -15.679 558 H ASN 72 H ASN 72 8.455 1.350 -9.571 559 HA ASN 72 HA ASN 72 11.182 2.388 -9.889 560 HB2 ASN 72 HB2 ASN 72 9.156 3.788 -8.142 561 HB3 ASN 72 HB3 ASN 72 10.899 3.890 -7.889 562 HD21 ASN 72 HD21 ASN 72 8.286 4.992 -9.927 563 HD22 ASN 72 HD22 ASN 72 9.324 5.841 -11.086 564 H ALA 73 H ALA 73 10.440 -0.123 -9.685 565 HA ALA 73 HA ALA 73 10.124 -1.347 -7.179 566 HB1 ALA 73 HB1 ALA 73 9.678 -2.428 -9.279 567 HB2 ALA 73 HB2 ALA 73 11.378 -2.274 -9.785 568 HB3 ALA 73 HB3 ALA 73 10.938 -3.356 -8.444 569 H ASP 74 H ASP 74 12.868 0.390 -8.177 570 HA ASP 74 HA ASP 74 14.686 -1.172 -6.385 571 HB2 ASP 74 HB2 ASP 74 15.148 0.227 -8.962 572 HB3 ASP 74 HB3 ASP 74 16.274 0.672 -7.691 573 H LYS 75 H LYS 75 13.886 2.226 -7.342 574 HA LYS 75 HA LYS 75 14.959 3.409 -5.067 575 HB2 LYS 75 HB2 LYS 75 13.272 4.239 -7.309 576 HB3 LYS 75 HB3 LYS 75 12.692 5.008 -5.835 577 HG2 LYS 75 HG2 LYS 75 15.607 5.014 -6.705 578 HG3 LYS 75 HG3 LYS 75 14.471 6.297 -7.118 579 HD2 LYS 75 HD2 LYS 75 14.717 5.509 -4.220 580 HD3 LYS 75 HD3 LYS 75 16.057 6.398 -4.922 581 HE2 LYS 75 HE2 LYS 75 13.171 7.375 -5.128 582 HE3 LYS 75 HE3 LYS 75 14.206 7.739 -3.748 583 HZ1 LYS 75 HZ1 LYS 75 14.717 8.593 -6.528 584 HZ2 LYS 75 HZ2 LYS 75 15.780 8.777 -5.292 585 HZ3 LYS 75 HZ3 LYS 75 14.281 9.506 -5.262 586 H LEU 76 H LEU 76 11.553 2.362 -5.499 587 HA LEU 76 HA LEU 76 10.694 3.223 -2.893 588 HB2 LEU 76 HB2 LEU 76 9.647 0.951 -4.636 589 HB3 LEU 76 HB3 LEU 76 8.873 1.503 -3.157 590 HG LEU 76 HG LEU 76 9.260 3.288 -5.582 591 HD11 LEU 76 HD11 LEU 76 6.812 1.727 -4.641 592 HD12 LEU 76 HD12 LEU 76 7.758 1.403 -6.106 593 HD13 LEU 76 HD13 LEU 76 6.833 2.908 -5.964 594 HD21 LEU 76 HD21 LEU 76 9.027 4.551 -3.471 595 HD22 LEU 76 HD22 LEU 76 7.582 3.612 -3.049 596 HD23 LEU 76 HD23 LEU 76 7.571 4.715 -4.449 597 H ALA 77 H ALA 77 12.362 0.326 -4.013 598 HA ALA 77 HA ALA 77 11.994 -1.274 -1.682 599 HB1 ALA 77 HB1 ALA 77 12.998 -1.792 -4.146 600 HB2 ALA 77 HB2 ALA 77 14.521 -1.571 -3.290 601 HB3 ALA 77 HB3 ALA 77 13.353 -2.772 -2.723 602 H ALA 78 H ALA 78 14.851 0.589 -2.813 603 HA ALA 78 HA ALA 78 16.375 0.453 -0.489 604 HB1 ALA 78 HB1 ALA 78 16.209 2.784 -2.452 605 HB2 ALA 78 HB2 ALA 78 17.589 2.373 -1.407 606 HB3 ALA 78 HB3 ALA 78 17.132 1.287 -2.728 607 H ILE 79 H ILE 79 13.732 2.631 -1.236 608 HA ILE 79 HA ILE 79 14.106 4.468 0.905 609 HB ILE 79 HB ILE 79 11.979 3.761 -1.073 610 HG12 ILE 79 HG12 ILE 79 13.262 6.365 -0.159 611 HG13 ILE 79 HG13 ILE 79 13.816 5.369 -1.506 612 HG21 ILE 79 HG21 ILE 79 10.569 3.921 0.917 613 HG22 ILE 79 HG22 ILE 79 11.259 5.530 1.275 614 HG23 ILE 79 HG23 ILE 79 10.320 5.227 -0.208 615 HD11 ILE 79 HD11 ILE 79 12.586 7.195 -2.420 616 HD12 ILE 79 HD12 ILE 79 11.578 5.739 -2.614 617 HD13 ILE 79 HD13 ILE 79 11.224 6.935 -1.332 618 H ALA 80 H ALA 80 12.036 1.389 0.727 619 HA ALA 80 HA ALA 80 11.478 1.870 3.588 620 HB1 ALA 80 HB1 ALA 80 9.819 0.147 3.282 621 HB2 ALA 80 HB2 ALA 80 9.633 1.494 2.146 622 HB3 ALA 80 HB3 ALA 80 10.340 -0.015 1.568 623 H ALA 81 H ALA 81 13.815 0.189 1.798 624 HA ALA 81 HA ALA 81 14.218 -2.196 3.137 625 HB1 ALA 81 HB1 ALA 81 16.256 -0.227 1.982 626 HB2 ALA 81 HB2 ALA 81 16.605 -1.914 2.379 627 HB3 ALA 81 HB3 ALA 81 15.439 -1.553 1.112 628 HA PRO 82 HA PRO 82 16.495 -3.308 4.044 629 HB2 PRO 82 HB2 PRO 82 16.816 -4.706 6.378 630 HB3 PRO 82 HB3 PRO 82 17.996 -3.515 5.769 631 HG2 PRO 82 HG2 PRO 82 15.783 -3.023 7.786 632 HG3 PRO 82 HG3 PRO 82 17.524 -2.612 7.938 633 HD2 PRO 82 HD2 PRO 82 15.739 -0.782 7.150 634 HD3 PRO 82 HD3 PRO 82 17.334 -0.893 6.344 635 H ALA 83 H ALA 83 13.495 -2.544 5.478 636 HA ALA 83 HA ALA 83 12.384 -5.069 5.990 637 HB1 ALA 83 HB1 ALA 83 11.341 -2.861 6.520 638 HB2 ALA 83 HB2 ALA 83 11.030 -2.609 4.783 639 HB3 ALA 83 HB3 ALA 83 10.230 -3.929 5.631 640 H GLU 84 H GLU 84 10.789 -6.254 4.735 641 HA GLU 84 HA GLU 84 11.559 -6.618 1.902 642 HB2 GLU 84 HB2 GLU 84 9.965 -8.227 3.955 643 HB3 GLU 84 HB3 GLU 84 9.933 -8.628 2.235 644 HG2 GLU 84 HG2 GLU 84 12.444 -8.457 3.960 645 HG3 GLU 84 HG3 GLU 84 11.637 -9.943 3.454 646 H ILE 85 H ILE 85 10.420 -5.719 0.329 647 HA ILE 85 HA ILE 85 7.777 -4.530 0.964 648 HB ILE 85 HB ILE 85 10.148 -3.750 -0.749 649 HG12 ILE 85 HG12 ILE 85 9.912 -1.659 0.138 650 HG13 ILE 85 HG13 ILE 85 8.254 -1.915 0.680 651 HG21 ILE 85 HG21 ILE 85 7.322 -2.804 -1.350 652 HG22 ILE 85 HG22 ILE 85 8.865 -2.221 -2.073 653 HG23 ILE 85 HG23 ILE 85 8.294 -3.851 -2.391 654 HD11 ILE 85 HD11 ILE 85 9.000 -3.373 2.484 655 HD12 ILE 85 HD12 ILE 85 10.679 -3.322 1.852 656 HD13 ILE 85 HD13 ILE 85 9.925 -1.912 2.573 657 H PHE 86 H PHE 86 6.016 -4.839 -0.249 658 HA PHE 86 HA PHE 86 6.124 -6.690 -2.510 659 HB2 PHE 86 HB2 PHE 86 4.056 -6.925 -0.291 660 HB3 PHE 86 HB3 PHE 86 4.216 -7.962 -1.639 661 HD1 PHE 86 HD1 PHE 86 6.446 -6.897 1.315 662 HD2 PHE 86 HD2 PHE 86 4.774 -10.122 -1.025 663 HE1 PHE 86 HE1 PHE 86 7.491 -8.511 2.802 664 HE2 PHE 86 HE2 PHE 86 5.804 -11.745 0.520 665 HZ PHE 86 HZ PHE 86 7.176 -10.956 2.438 666 H LEU 87 H LEU 87 3.950 -6.898 -3.576 667 HA LEU 87 HA LEU 87 2.507 -4.291 -3.803 668 HB2 LEU 87 HB2 LEU 87 3.483 -6.131 -6.034 669 HB3 LEU 87 HB3 LEU 87 2.598 -4.642 -6.254 670 HG LEU 87 HG LEU 87 5.489 -4.899 -5.269 671 HD11 LEU 87 HD11 LEU 87 5.208 -5.406 -7.655 672 HD12 LEU 87 HD12 LEU 87 6.003 -3.837 -7.453 673 HD13 LEU 87 HD13 LEU 87 4.286 -3.911 -7.893 674 HD21 LEU 87 HD21 LEU 87 3.741 -2.497 -5.771 675 HD22 LEU 87 HD22 LEU 87 5.513 -2.385 -5.674 676 HD23 LEU 87 HD23 LEU 87 4.562 -2.905 -4.264 677 H LEU 88 H LEU 88 0.428 -4.455 -3.863 678 HA LEU 88 HA LEU 88 -0.954 -7.031 -3.768 679 HB2 LEU 88 HB2 LEU 88 -1.795 -4.113 -3.561 680 HB3 LEU 88 HB3 LEU 88 -2.948 -5.397 -3.641 681 HG LEU 88 HG LEU 88 -0.921 -5.171 -1.422 682 HD11 LEU 88 HD11 LEU 88 -2.814 -4.404 -0.079 683 HD12 LEU 88 HD12 LEU 88 -3.923 -4.591 -1.453 684 HD13 LEU 88 HD13 LEU 88 -2.653 -3.350 -1.499 685 HD21 LEU 88 HD21 LEU 88 -3.275 -7.043 -1.946 686 HD22 LEU 88 HD22 LEU 88 -2.556 -6.793 -0.361 687 HD23 LEU 88 HD23 LEU 88 -1.567 -7.483 -1.661 688 H GLU 89 H GLU 89 -0.335 -7.644 -5.981 689 HA GLU 89 HA GLU 89 -0.747 -7.997 -8.136 690 HB2 GLU 89 HB2 GLU 89 -3.048 -8.288 -6.872 691 HB3 GLU 89 HB3 GLU 89 -3.558 -6.898 -7.811 692 HG2 GLU 89 HG2 GLU 89 -4.212 -9.015 -8.843 693 HG3 GLU 89 HG3 GLU 89 -3.105 -8.109 -9.888 694 H ASP 90 H ASP 90 -2.839 -5.109 -8.136 695 HA ASP 90 HA ASP 90 -0.866 -3.518 -9.670 696 HB2 ASP 90 HB2 ASP 90 -3.708 -3.947 -10.669 697 HB3 ASP 90 HB3 ASP 90 -2.601 -2.706 -11.219 698 H GLY 91 H GLY 91 -0.934 -3.047 -7.213 699 HA2 GLY 91 HA2 GLY 91 -1.186 -1.414 -5.689 700 HA3 GLY 91 HA3 GLY 91 -2.039 -0.447 -6.895 701 H ILE 92 H ILE 92 -4.215 -0.240 -6.682 702 HA ILE 92 HA ILE 92 -5.395 -1.278 -4.193 703 HB ILE 92 HB ILE 92 -5.822 1.035 -5.599 704 HG12 ILE 92 HG12 ILE 92 -6.394 1.089 -3.396 705 HG13 ILE 92 HG13 ILE 92 -7.896 1.392 -4.207 706 HG21 ILE 92 HG21 ILE 92 -8.361 -0.509 -6.185 707 HG22 ILE 92 HG22 ILE 92 -7.996 1.182 -6.566 708 HG23 ILE 92 HG23 ILE 92 -7.121 -0.132 -7.382 709 HD11 ILE 92 HD11 ILE 92 -8.682 -0.879 -3.683 710 HD12 ILE 92 HD12 ILE 92 -7.105 -1.290 -2.969 711 HD13 ILE 92 HD13 ILE 92 -8.075 -0.054 -2.215 712 H ASP 93 H ASP 93 -5.267 -2.165 -7.523 713 HA ASP 93 HA ASP 93 -7.661 -3.517 -7.939 714 HB2 ASP 93 HB2 ASP 93 -5.811 -2.876 -9.553 715 HB3 ASP 93 HB3 ASP 93 -4.973 -4.329 -9.000 716 H GLY 94 H GLY 94 -4.671 -4.712 -6.272 717 HA2 GLY 94 HA2 GLY 94 -5.380 -7.417 -6.166 718 HA3 GLY 94 HA3 GLY 94 -4.367 -6.578 -4.988 719 H TRP 95 H TRP 95 -6.021 -4.895 -3.640 720 HA TRP 95 HA TRP 95 -7.330 -6.465 -1.786 721 HB2 TRP 95 HB2 TRP 95 -6.796 -4.164 -1.403 722 HB3 TRP 95 HB3 TRP 95 -8.070 -3.637 -2.493 723 HD1 TRP 95 HD1 TRP 95 -10.155 -2.933 -1.262 724 HE1 TRP 95 HE1 TRP 95 -11.379 -3.551 0.928 725 HE3 TRP 95 HE3 TRP 95 -7.315 -6.844 0.302 726 HZ2 TRP 95 HZ2 TRP 95 -10.826 -5.048 3.315 727 HZ3 TRP 95 HZ3 TRP 95 -7.674 -7.883 2.500 728 HH2 TRP 95 HH2 TRP 95 -9.406 -6.981 4.057 729 H LYS 96 H LYS 96 -8.870 -4.582 -4.480 730 HA LYS 96 HA LYS 96 -11.470 -5.735 -4.059 731 HB2 LYS 96 HB2 LYS 96 -12.180 -4.590 -6.067 732 HB3 LYS 96 HB3 LYS 96 -11.274 -3.508 -5.011 733 HG2 LYS 96 HG2 LYS 96 -9.303 -3.671 -6.399 734 HG3 LYS 96 HG3 LYS 96 -10.017 -4.938 -7.400 735 HD2 LYS 96 HD2 LYS 96 -11.044 -2.074 -7.255 736 HD3 LYS 96 HD3 LYS 96 -9.964 -2.749 -8.490 737 HE2 LYS 96 HE2 LYS 96 -11.879 -4.615 -8.625 738 HE3 LYS 96 HE3 LYS 96 -12.891 -3.305 -8.014 739 HZ1 LYS 96 HZ1 LYS 96 -12.932 -3.346 -10.360 740 HZ2 LYS 96 HZ2 LYS 96 -11.315 -3.415 -10.506 741 HZ3 LYS 96 HZ3 LYS 96 -12.049 -2.008 -10.006 742 H LYS 97 H LYS 97 -8.721 -7.044 -5.846 743 HA LYS 97 HA LYS 97 -10.216 -8.558 -7.750 744 HB2 LYS 97 HB2 LYS 97 -7.697 -8.144 -7.746 745 HB3 LYS 97 HB3 LYS 97 -7.570 -9.304 -6.429 746 HG2 LYS 97 HG2 LYS 97 -6.986 -10.347 -8.470 747 HG3 LYS 97 HG3 LYS 97 -8.503 -11.071 -7.935 748 HD2 LYS 97 HD2 LYS 97 -9.733 -9.948 -9.676 749 HD3 LYS 97 HD3 LYS 97 -8.412 -8.775 -9.940 750 HE2 LYS 97 HE2 LYS 97 -6.929 -10.715 -10.569 751 HE3 LYS 97 HE3 LYS 97 -8.348 -11.761 -10.557 752 HZ1 LYS 97 HZ1 LYS 97 -9.264 -10.441 -12.330 753 HZ2 LYS 97 HZ2 LYS 97 -7.756 -10.924 -12.748 754 HZ3 LYS 97 HZ3 LYS 97 -7.977 -9.383 -12.292 755 H ALA 98 H ALA 98 -9.279 -9.070 -4.372 756 HA ALA 98 HA ALA 98 -10.332 -11.747 -4.092 757 HB1 ALA 98 HB1 ALA 98 -9.717 -9.572 -2.021 758 HB2 ALA 98 HB2 ALA 98 -9.973 -11.288 -1.687 759 HB3 ALA 98 HB3 ALA 98 -8.560 -10.783 -2.623 760 H GLY 99 H GLY 99 -11.895 -8.781 -4.602 761 HA2 GLY 99 HA2 GLY 99 -14.087 -8.254 -4.647 762 HA3 GLY 99 HA3 GLY 99 -14.493 -9.764 -3.832 763 H LEU 100 H LEU 100 -12.029 -8.213 -2.033 764 HA LEU 100 HA LEU 100 -13.843 -7.520 0.057 765 HB2 LEU 100 HB2 LEU 100 -10.859 -7.196 -0.321 766 HB3 LEU 100 HB3 LEU 100 -11.723 -6.771 1.163 767 HG LEU 100 HG LEU 100 -11.911 -9.567 -0.014 768 HD11 LEU 100 HD11 LEU 100 -10.004 -8.845 2.201 769 HD12 LEU 100 HD12 LEU 100 -9.488 -8.839 0.509 770 HD13 LEU 100 HD13 LEU 100 -10.105 -10.333 1.238 771 HD21 LEU 100 HD21 LEU 100 -12.430 -10.144 2.360 772 HD22 LEU 100 HD22 LEU 100 -13.601 -9.003 1.698 773 HD23 LEU 100 HD23 LEU 100 -12.325 -8.420 2.794 774 HA PRO 101 HA PRO 101 -14.230 -3.380 -1.708 775 HB2 PRO 101 HB2 PRO 101 -16.049 -2.309 0.018 776 HB3 PRO 101 HB3 PRO 101 -16.487 -3.589 -1.154 777 HG2 PRO 101 HG2 PRO 101 -15.903 -3.871 1.793 778 HG3 PRO 101 HG3 PRO 101 -17.156 -4.684 0.812 779 HD2 PRO 101 HD2 PRO 101 -14.678 -5.775 1.524 780 HD3 PRO 101 HD3 PRO 101 -15.675 -6.349 0.163 781 H VAL 102 H VAL 102 -13.356 -1.210 -1.189 782 HA VAL 102 HA VAL 102 -11.348 -1.125 0.841 783 HB VAL 102 HB VAL 102 -11.189 1.178 -0.218 784 HG11 VAL 102 HG11 VAL 102 -9.922 -0.711 -1.116 785 HG12 VAL 102 HG12 VAL 102 -11.249 -1.085 -2.250 786 HG13 VAL 102 HG13 VAL 102 -10.377 0.460 -2.366 787 HG21 VAL 102 HG21 VAL 102 -13.528 0.243 -1.978 788 HG22 VAL 102 HG22 VAL 102 -13.484 1.593 -0.841 789 HG23 VAL 102 HG23 VAL 102 -12.501 1.609 -2.313 790 H ALA 103 H ALA 103 -11.331 1.052 2.209 791 HA ALA 103 HA ALA 103 -13.873 1.075 3.653 792 HB1 ALA 103 HB1 ALA 103 -11.667 1.290 4.776 793 HB2 ALA 103 HB2 ALA 103 -11.475 2.885 4.013 794 HB3 ALA 103 HB3 ALA 103 -12.800 2.611 5.145 795 H VAL 104 H VAL 104 -15.348 1.787 1.986 796 HA VAL 104 HA VAL 104 -15.047 4.559 0.945 797 HB VAL 104 HB VAL 104 -17.503 3.851 0.093 798 HG11 VAL 104 HG11 VAL 104 -16.647 3.432 -2.044 799 HG12 VAL 104 HG12 VAL 104 -15.530 4.561 -1.287 800 HG13 VAL 104 HG13 VAL 104 -15.104 2.842 -1.427 801 HG21 VAL 104 HG21 VAL 104 -16.153 1.137 0.058 802 HG22 VAL 104 HG22 VAL 104 -17.467 1.597 1.168 803 HG23 VAL 104 HG23 VAL 104 -17.743 1.577 -0.583 804 H ASN 105 H ASN 105 -16.937 6.010 1.214 805 HA ASN 105 HA ASN 105 -17.813 5.982 4.047 806 HB2 ASN 105 HB2 ASN 105 -16.866 8.021 2.720 807 HB3 ASN 105 HB3 ASN 105 -18.466 8.116 1.985 808 HD21 ASN 105 HD21 ASN 105 -20.219 7.573 4.118 809 HD22 ASN 105 HD22 ASN 105 -19.977 8.779 5.353 810 H LYS 106 H LYS 106 -19.053 5.696 0.744 811 HA LYS 106 HA LYS 106 -21.852 5.912 1.322 812 HB2 LYS 106 HB2 LYS 106 -20.703 6.156 -0.920 813 HB3 LYS 106 HB3 LYS 106 -20.490 4.399 -0.955 814 HG2 LYS 106 HG2 LYS 106 -23.011 4.176 -0.770 815 HG3 LYS 106 HG3 LYS 106 -23.121 5.941 -0.871 816 HD2 LYS 106 HD2 LYS 106 -21.812 5.760 -3.086 817 HD3 LYS 106 HD3 LYS 106 -22.017 4.011 -2.955 818 HE2 LYS 106 HE2 LYS 106 -23.846 4.539 -4.276 819 HE3 LYS 106 HE3 LYS 106 -24.569 4.596 -2.667 820 HZ1 LYS 106 HZ1 LYS 106 -24.005 7.062 -2.748 821 HZ2 LYS 106 HZ2 LYS 106 -25.205 6.561 -3.777 822 HZ3 LYS 106 HZ3 LYS 106 -23.703 6.860 -4.346 823 H SER 107 H SER 107 -19.755 3.058 0.851 824 HA SER 107 HA SER 107 -19.843 0.916 1.543 825 HB2 SER 107 HB2 SER 107 -21.918 1.781 3.583 826 HB3 SER 107 HB3 SER 107 -21.018 0.261 3.549 827 HG SER 107 HG SER 107 -19.097 1.367 3.915 828 H GLN 108 H GLN 108 -20.486 0.394 -0.422 829 HA GLN 108 HA GLN 108 -21.575 -1.116 -1.681 830 HB2 GLN 108 HB2 GLN 108 -23.573 -1.171 0.090 831 HB3 GLN 108 HB3 GLN 108 -24.360 -0.140 -1.090 832 HG2 GLN 108 HG2 GLN 108 -23.189 -2.932 -1.492 833 HG3 GLN 108 HG3 GLN 108 -24.896 -2.516 -1.420 834 HE21 GLN 108 HE21 GLN 108 -22.518 -3.358 -3.557 835 HE22 GLN 108 HE22 GLN 108 -23.283 -2.702 -5.002 Start of MODEL 7 1 H ALA 1 H ALA 1 14.547 -6.655 -2.509 2 HA ALA 1 HA ALA 1 12.438 -7.667 -0.713 3 HB1 ALA 1 HB1 ALA 1 13.779 -4.938 -0.730 4 HB2 ALA 1 HB2 ALA 1 12.429 -5.395 0.297 5 HB3 ALA 1 HB3 ALA 1 13.993 -6.208 0.498 6 H LEU 2 H LEU 2 11.653 -8.110 -3.206 7 HA LEU 2 HA LEU 2 9.621 -6.106 -3.720 8 HB2 LEU 2 HB2 LEU 2 11.711 -6.773 -5.834 9 HB3 LEU 2 HB3 LEU 2 10.099 -6.211 -6.225 10 HG LEU 2 HG LEU 2 12.223 -4.652 -4.743 11 HD11 LEU 2 HD11 LEU 2 10.831 -4.223 -7.435 12 HD12 LEU 2 HD12 LEU 2 12.496 -4.799 -7.216 13 HD13 LEU 2 HD13 LEU 2 12.062 -3.162 -6.710 14 HD21 LEU 2 HD21 LEU 2 9.304 -3.948 -5.352 15 HD22 LEU 2 HD22 LEU 2 10.549 -2.741 -4.914 16 HD23 LEU 2 HD23 LEU 2 10.116 -3.959 -3.772 17 H THR 3 H THR 3 7.977 -7.516 -3.482 18 HA THR 3 HA THR 3 7.936 -9.903 -5.259 19 HB THR 3 HB THR 3 7.315 -9.744 -2.291 20 HG1 THR 3 HG1 THR 3 9.102 -10.855 -2.001 21 HG21 THR 3 HG21 THR 3 5.699 -11.272 -3.185 22 HG22 THR 3 HG22 THR 3 6.993 -12.275 -2.522 23 HG23 THR 3 HG23 THR 3 6.893 -11.992 -4.276 24 H THR 4 H THR 4 5.892 -10.408 -6.042 25 HA THR 4 HA THR 4 3.752 -8.407 -5.601 26 HB THR 4 HB THR 4 2.841 -9.917 -7.626 27 HG1 THR 4 HG1 THR 4 5.651 -9.884 -8.096 28 HG21 THR 4 HG21 THR 4 3.160 -7.503 -7.715 29 HG22 THR 4 HG22 THR 4 3.787 -8.267 -9.184 30 HG23 THR 4 HG23 THR 4 4.916 -7.707 -7.922 31 H ILE 5 H ILE 5 1.939 -9.000 -4.466 32 HA ILE 5 HA ILE 5 1.577 -11.843 -3.759 33 HB ILE 5 HB ILE 5 2.868 -10.884 -1.990 34 HG12 ILE 5 HG12 ILE 5 0.132 -11.054 -0.767 35 HG13 ILE 5 HG13 ILE 5 0.863 -12.454 -1.543 36 HG21 ILE 5 HG21 ILE 5 2.151 -8.978 -0.612 37 HG22 ILE 5 HG22 ILE 5 2.231 -8.454 -2.298 38 HG23 ILE 5 HG23 ILE 5 0.665 -8.808 -1.562 39 HD11 ILE 5 HD11 ILE 5 2.775 -12.431 -0.112 40 HD12 ILE 5 HD12 ILE 5 2.326 -10.874 0.587 41 HD13 ILE 5 HD13 ILE 5 1.332 -12.312 0.919 42 H SER 6 H SER 6 -0.505 -12.486 -3.708 43 HA SER 6 HA SER 6 -2.481 -10.656 -4.839 44 HB2 SER 6 HB2 SER 6 -2.221 -13.600 -4.335 45 HB3 SER 6 HB3 SER 6 -3.860 -12.935 -4.389 46 HG SER 6 HG SER 6 -1.997 -13.247 -6.384 47 HA PRO 7 HA PRO 7 -4.496 -9.297 -1.239 48 HB2 PRO 7 HB2 PRO 7 -7.182 -9.799 -1.541 49 HB3 PRO 7 HB3 PRO 7 -6.270 -8.566 -2.449 50 HG2 PRO 7 HG2 PRO 7 -6.791 -11.455 -3.304 51 HG3 PRO 7 HG3 PRO 7 -7.228 -9.991 -4.220 52 HD2 PRO 7 HD2 PRO 7 -4.950 -11.184 -4.797 53 HD3 PRO 7 HD3 PRO 7 -4.862 -9.427 -4.498 54 H HIS 8 H HIS 8 -5.099 -12.690 -1.889 55 HA HIS 8 HA HIS 8 -6.504 -13.280 0.538 56 HB2 HIS 8 HB2 HIS 8 -6.644 -14.758 -1.389 57 HB3 HIS 8 HB3 HIS 8 -4.910 -15.014 -1.398 58 HD1 HIS 8 HD1 HIS 8 -8.064 -16.336 0.287 59 HD2 HIS 8 HD2 HIS 8 -3.858 -16.671 0.497 60 HE1 HIS 8 HE1 HIS 8 -7.577 -18.418 1.622 61 H ASP 9 H ASP 9 -3.096 -14.036 -0.407 62 HA ASP 9 HA ASP 9 -2.267 -14.779 2.244 63 HB2 ASP 9 HB2 ASP 9 -0.788 -14.072 -0.302 64 HB3 ASP 9 HB3 ASP 9 0.096 -14.322 1.177 65 H ALA 10 H ALA 10 -2.365 -11.730 0.449 66 HA ALA 10 HA ALA 10 -0.861 -10.238 2.378 67 HB1 ALA 10 HB1 ALA 10 -2.918 -9.459 0.279 68 HB2 ALA 10 HB2 ALA 10 -1.969 -8.274 1.215 69 HB3 ALA 10 HB3 ALA 10 -1.160 -9.392 0.099 70 H GLN 11 H GLN 11 -4.294 -11.182 2.291 71 HA GLN 11 HA GLN 11 -5.174 -9.277 4.229 72 HB2 GLN 11 HB2 GLN 11 -6.559 -10.832 2.711 73 HB3 GLN 11 HB3 GLN 11 -6.238 -12.110 3.897 74 HG2 GLN 11 HG2 GLN 11 -7.226 -10.572 5.634 75 HG3 GLN 11 HG3 GLN 11 -7.653 -9.454 4.339 76 HE21 GLN 11 HE21 GLN 11 -8.575 -11.456 2.372 77 HE22 GLN 11 HE22 GLN 11 -10.021 -12.178 3.046 78 H GLU 12 H GLU 12 -3.058 -12.147 4.576 79 HA GLU 12 HA GLU 12 -3.744 -12.510 7.354 80 HB2 GLU 12 HB2 GLU 12 -3.213 -14.432 5.992 81 HB3 GLU 12 HB3 GLU 12 -1.639 -13.764 5.529 82 HG2 GLU 12 HG2 GLU 12 -0.716 -14.015 7.601 83 HG3 GLU 12 HG3 GLU 12 -2.260 -14.005 8.435 84 H LEU 13 H LEU 13 -0.660 -11.674 5.670 85 HA LEU 13 HA LEU 13 0.731 -10.732 7.842 86 HB2 LEU 13 HB2 LEU 13 2.133 -9.489 6.206 87 HB3 LEU 13 HB3 LEU 13 1.814 -11.167 5.834 88 HG LEU 13 HG LEU 13 -0.124 -10.232 4.336 89 HD11 LEU 13 HD11 LEU 13 0.285 -8.156 3.248 90 HD12 LEU 13 HD12 LEU 13 1.795 -7.895 4.177 91 HD13 LEU 13 HD13 LEU 13 0.233 -7.772 4.945 92 HD21 LEU 13 HD21 LEU 13 1.419 -10.090 2.432 93 HD22 LEU 13 HD22 LEU 13 1.716 -11.493 3.477 94 HD23 LEU 13 HD23 LEU 13 2.786 -10.066 3.563 95 H ILE 14 H ILE 14 -1.550 -8.760 5.905 96 HA ILE 14 HA ILE 14 -1.079 -6.271 7.135 97 HB ILE 14 HB ILE 14 -3.018 -7.622 5.417 98 HG12 ILE 14 HG12 ILE 14 -2.274 -4.704 5.370 99 HG13 ILE 14 HG13 ILE 14 -1.088 -5.948 4.970 100 HG21 ILE 14 HG21 ILE 14 -4.693 -7.114 6.924 101 HG22 ILE 14 HG22 ILE 14 -4.191 -5.392 6.974 102 HG23 ILE 14 HG23 ILE 14 -4.832 -6.112 5.475 103 HD11 ILE 14 HD11 ILE 14 -2.248 -6.727 3.107 104 HD12 ILE 14 HD12 ILE 14 -3.700 -5.782 3.496 105 HD13 ILE 14 HD13 ILE 14 -2.207 -4.952 3.020 106 H ALA 15 H ALA 15 -2.966 -9.027 8.295 107 HA ALA 15 HA ALA 15 -4.095 -7.478 10.553 108 HB1 ALA 15 HB1 ALA 15 -5.612 -8.939 9.225 109 HB2 ALA 15 HB2 ALA 15 -4.548 -10.331 9.537 110 HB3 ALA 15 HB3 ALA 15 -5.423 -9.566 10.875 111 H ARG 16 H ARG 16 -1.193 -8.470 10.042 112 HA ARG 16 HA ARG 16 -0.830 -9.762 12.717 113 HB2 ARG 16 HB2 ARG 16 0.677 -10.313 10.160 114 HB3 ARG 16 HB3 ARG 16 1.047 -11.028 11.724 115 HG2 ARG 16 HG2 ARG 16 -1.761 -11.316 10.553 116 HG3 ARG 16 HG3 ARG 16 -0.458 -12.262 9.933 117 HD2 ARG 16 HD2 ARG 16 -0.394 -12.444 12.820 118 HD3 ARG 16 HD3 ARG 16 -2.059 -12.626 12.276 119 HE ARG 16 HE ARG 16 0.246 -14.190 11.190 120 HH11 ARG 16 HH11 ARG 16 -3.124 -14.274 12.330 121 HH12 ARG 16 HH12 ARG 16 -3.478 -15.782 11.564 122 HH21 ARG 16 HH21 ARG 16 -0.077 -16.249 10.532 123 HH22 ARG 16 HH22 ARG 16 -1.660 -16.978 10.521 124 H GLY 17 H GLY 17 0.689 -7.741 10.149 125 HA2 GLY 17 HA2 GLY 17 1.525 -5.706 11.816 126 HA3 GLY 17 HA3 GLY 17 2.824 -6.890 11.937 127 H ALA 18 H ALA 18 1.839 -7.188 8.717 128 HA ALA 18 HA ALA 18 4.161 -5.744 7.811 129 HB1 ALA 18 HB1 ALA 18 3.198 -6.148 5.548 130 HB2 ALA 18 HB2 ALA 18 3.310 -7.614 6.526 131 HB3 ALA 18 HB3 ALA 18 1.738 -6.789 6.330 132 H LYS 19 H LYS 19 4.224 -3.595 6.910 133 HA LYS 19 HA LYS 19 1.733 -1.993 7.355 134 HB2 LYS 19 HB2 LYS 19 4.524 -1.568 8.105 135 HB3 LYS 19 HB3 LYS 19 3.927 -0.227 7.133 136 HG2 LYS 19 HG2 LYS 19 3.551 0.096 9.555 137 HG3 LYS 19 HG3 LYS 19 2.067 0.154 8.602 138 HD2 LYS 19 HD2 LYS 19 2.612 -2.554 9.578 139 HD3 LYS 19 HD3 LYS 19 2.582 -1.407 10.914 140 HE2 LYS 19 HE2 LYS 19 0.383 -1.859 8.846 141 HE3 LYS 19 HE3 LYS 19 0.388 -2.463 10.505 142 HZ1 LYS 19 HZ1 LYS 19 -0.934 -0.542 10.354 143 HZ2 LYS 19 HZ2 LYS 19 0.173 0.317 9.585 144 HZ3 LYS 19 HZ3 LYS 19 0.428 -0.038 11.177 145 H LEU 20 H LEU 20 0.570 -1.538 5.690 146 HA LEU 20 HA LEU 20 1.873 -1.430 3.051 147 HB2 LEU 20 HB2 LEU 20 -0.478 -2.406 3.698 148 HB3 LEU 20 HB3 LEU 20 -1.001 -0.752 3.550 149 HG LEU 20 HG LEU 20 0.593 -1.671 1.225 150 HD11 LEU 20 HD11 LEU 20 -0.561 -3.791 1.858 151 HD12 LEU 20 HD12 LEU 20 -1.151 -3.148 0.329 152 HD13 LEU 20 HD13 LEU 20 -2.119 -2.940 1.812 153 HD21 LEU 20 HD21 LEU 20 -2.206 -0.609 1.288 154 HD22 LEU 20 HD22 LEU 20 -1.045 -0.568 -0.042 155 HD23 LEU 20 HD23 LEU 20 -0.795 0.454 1.383 156 H ILE 21 H ILE 21 1.949 0.441 1.740 157 HA ILE 21 HA ILE 21 1.638 3.064 3.153 158 HB ILE 21 HB ILE 21 3.635 2.282 0.980 159 HG12 ILE 21 HG12 ILE 21 4.207 0.994 2.926 160 HG13 ILE 21 HG13 ILE 21 5.405 2.232 2.584 161 HG21 ILE 21 HG21 ILE 21 4.873 4.348 1.753 162 HG22 ILE 21 HG22 ILE 21 3.330 4.700 0.981 163 HG23 ILE 21 HG23 ILE 21 3.454 4.731 2.749 164 HD11 ILE 21 HD11 ILE 21 4.935 1.898 4.972 165 HD12 ILE 21 HD12 ILE 21 4.612 3.564 4.449 166 HD13 ILE 21 HD13 ILE 21 3.261 2.428 4.731 167 H ASP 22 H ASP 22 1.083 4.846 1.814 168 HA ASP 22 HA ASP 22 -0.440 4.106 -0.641 169 HB2 ASP 22 HB2 ASP 22 -0.858 6.334 1.387 170 HB3 ASP 22 HB3 ASP 22 -1.715 6.029 -0.141 171 H ILE 23 H ILE 23 1.770 4.505 -1.910 172 HA ILE 23 HA ILE 23 2.634 7.312 -1.836 173 HB ILE 23 HB ILE 23 4.256 6.663 -3.480 174 HG12 ILE 23 HG12 ILE 23 3.859 3.752 -3.566 175 HG13 ILE 23 HG13 ILE 23 2.453 4.593 -4.211 176 HG21 ILE 23 HG21 ILE 23 5.626 5.313 -2.158 177 HG22 ILE 23 HG22 ILE 23 4.539 6.155 -1.007 178 HG23 ILE 23 HG23 ILE 23 4.275 4.469 -1.406 179 HD11 ILE 23 HD11 ILE 23 5.266 5.128 -5.125 180 HD12 ILE 23 HD12 ILE 23 4.064 4.075 -5.941 181 HD13 ILE 23 HD13 ILE 23 3.743 5.806 -5.780 182 H ARG 24 H ARG 24 -0.100 7.038 -2.563 183 HA ARG 24 HA ARG 24 -0.211 7.614 -5.483 184 HB2 ARG 24 HB2 ARG 24 -2.812 7.575 -4.835 185 HB3 ARG 24 HB3 ARG 24 -1.881 6.169 -5.301 186 HG2 ARG 24 HG2 ARG 24 -1.558 5.418 -3.092 187 HG3 ARG 24 HG3 ARG 24 -2.149 6.950 -2.414 188 HD2 ARG 24 HD2 ARG 24 -4.304 5.991 -3.992 189 HD3 ARG 24 HD3 ARG 24 -3.681 4.569 -3.170 190 HE ARG 24 HE ARG 24 -3.919 6.851 -1.425 191 HH11 ARG 24 HH11 ARG 24 -5.642 3.897 -2.375 192 HH12 ARG 24 HH12 ARG 24 -7.033 4.256 -1.404 193 HH21 ARG 24 HH21 ARG 24 -5.892 7.389 -0.305 194 HH22 ARG 24 HH22 ARG 24 -7.198 6.236 -0.264 195 H ASP 25 H ASP 25 -2.608 9.124 -3.357 196 HA ASP 25 HA ASP 25 -1.262 11.659 -3.175 197 HB2 ASP 25 HB2 ASP 25 -2.075 11.443 -5.584 198 HB3 ASP 25 HB3 ASP 25 -3.723 11.406 -4.957 199 H ALA 26 H ALA 26 -2.656 13.089 -1.947 200 HA ALA 26 HA ALA 26 -4.263 11.684 0.058 201 HB1 ALA 26 HB1 ALA 26 -2.817 13.551 0.680 202 HB2 ALA 26 HB2 ALA 26 -3.775 14.666 -0.335 203 HB3 ALA 26 HB3 ALA 26 -4.499 13.912 1.101 204 H ASP 27 H ASP 27 -5.282 13.109 -2.935 205 HA ASP 27 HA ASP 27 -7.938 13.566 -1.813 206 HB2 ASP 27 HB2 ASP 27 -6.618 14.846 -3.804 207 HB3 ASP 27 HB3 ASP 27 -7.721 13.810 -4.717 208 H GLU 28 H GLU 28 -6.492 10.835 -2.471 209 HA GLU 28 HA GLU 28 -8.711 9.379 -3.784 210 HB2 GLU 28 HB2 GLU 28 -6.039 8.520 -2.580 211 HB3 GLU 28 HB3 GLU 28 -7.170 7.418 -3.345 212 HG2 GLU 28 HG2 GLU 28 -5.824 9.789 -4.672 213 HG3 GLU 28 HG3 GLU 28 -5.266 8.124 -4.778 214 H TYR 29 H TYR 29 -6.986 9.530 -0.657 215 HA TYR 29 HA TYR 29 -8.245 7.657 0.901 216 HB2 TYR 29 HB2 TYR 29 -6.435 8.825 1.843 217 HB3 TYR 29 HB3 TYR 29 -7.186 10.397 1.582 218 HD1 TYR 29 HD1 TYR 29 -8.085 7.099 3.222 219 HD2 TYR 29 HD2 TYR 29 -7.770 11.386 3.681 220 HE1 TYR 29 HE1 TYR 29 -9.029 6.914 5.465 221 HE2 TYR 29 HE2 TYR 29 -8.704 11.208 5.963 222 HH TYR 29 HH TYR 29 -10.183 8.162 7.054 223 H LEU 30 H LEU 30 -9.331 10.860 0.191 224 HA LEU 30 HA LEU 30 -11.549 11.314 1.773 225 HB2 LEU 30 HB2 LEU 30 -10.332 12.795 0.198 226 HB3 LEU 30 HB3 LEU 30 -11.040 11.959 -1.178 227 HG LEU 30 HG LEU 30 -12.664 13.462 0.917 228 HD11 LEU 30 HD11 LEU 30 -11.505 14.363 -1.759 229 HD12 LEU 30 HD12 LEU 30 -11.079 14.983 -0.164 230 HD13 LEU 30 HD13 LEU 30 -12.703 15.268 -0.818 231 HD21 LEU 30 HD21 LEU 30 -14.309 13.605 -1.009 232 HD22 LEU 30 HD22 LEU 30 -14.112 11.983 -0.365 233 HD23 LEU 30 HD23 LEU 30 -13.306 12.440 -1.891 234 H ARG 31 H ARG 31 -11.412 9.575 -1.374 235 HA ARG 31 HA ARG 31 -14.233 8.765 -1.248 236 HB2 ARG 31 HB2 ARG 31 -11.917 8.179 -3.152 237 HB3 ARG 31 HB3 ARG 31 -13.490 7.426 -3.330 238 HG2 ARG 31 HG2 ARG 31 -13.195 10.458 -3.260 239 HG3 ARG 31 HG3 ARG 31 -12.923 9.519 -4.718 240 HD2 ARG 31 HD2 ARG 31 -15.161 10.177 -4.918 241 HD3 ARG 31 HD3 ARG 31 -15.211 8.485 -4.421 242 HE ARG 31 HE ARG 31 -15.397 10.552 -2.309 243 HH11 ARG 31 HH11 ARG 31 -17.209 8.465 -4.481 244 HH12 ARG 31 HH12 ARG 31 -18.662 8.419 -3.560 245 HH21 ARG 31 HH21 ARG 31 -17.298 10.612 -1.038 246 HH22 ARG 31 HH22 ARG 31 -18.687 9.690 -1.483 247 H GLU 32 H GLU 32 -11.042 6.974 -1.323 248 HA GLU 32 HA GLU 32 -12.277 5.060 0.534 249 HB2 GLU 32 HB2 GLU 32 -11.922 3.198 -0.706 250 HB3 GLU 32 HB3 GLU 32 -12.935 4.283 -1.670 251 HG2 GLU 32 HG2 GLU 32 -10.004 4.231 -2.191 252 HG3 GLU 32 HG3 GLU 32 -11.031 2.872 -2.649 253 H HIS 33 H HIS 33 -10.838 3.150 0.993 254 HA HIS 33 HA HIS 33 -8.055 4.190 1.356 255 HB2 HIS 33 HB2 HIS 33 -9.472 4.309 3.412 256 HB3 HIS 33 HB3 HIS 33 -9.609 2.545 3.341 257 HD1 HIS 33 HD1 HIS 33 -6.187 4.185 2.625 258 HD2 HIS 33 HD2 HIS 33 -8.285 2.062 5.606 259 HE1 HIS 33 HE1 HIS 33 -4.518 3.682 4.411 260 H ILE 34 H ILE 34 -7.913 1.367 2.735 261 HA ILE 34 HA ILE 34 -7.900 -0.528 0.577 262 HB ILE 34 HB ILE 34 -5.854 1.371 0.598 263 HG12 ILE 34 HG12 ILE 34 -6.364 -1.080 -0.828 264 HG13 ILE 34 HG13 ILE 34 -5.840 0.521 -1.319 265 HG21 ILE 34 HG21 ILE 34 -4.462 -0.886 1.945 266 HG22 ILE 34 HG22 ILE 34 -3.911 0.725 1.411 267 HG23 ILE 34 HG23 ILE 34 -5.057 0.579 2.750 268 HD11 ILE 34 HD11 ILE 34 -4.020 -1.701 -0.351 269 HD12 ILE 34 HD12 ILE 34 -4.237 -1.082 -1.995 270 HD13 ILE 34 HD13 ILE 34 -3.511 -0.059 -0.731 271 HA PRO 35 HA PRO 35 -7.529 -3.225 4.110 272 HB2 PRO 35 HB2 PRO 35 -5.936 -5.323 3.447 273 HB3 PRO 35 HB3 PRO 35 -7.505 -4.984 2.728 274 HG2 PRO 35 HG2 PRO 35 -4.809 -4.420 1.478 275 HG3 PRO 35 HG3 PRO 35 -6.225 -5.016 0.727 276 HD2 PRO 35 HD2 PRO 35 -5.496 -2.400 0.777 277 HD3 PRO 35 HD3 PRO 35 -7.170 -2.912 0.481 278 H GLU 36 H GLU 36 -6.537 -1.478 5.357 279 HA GLU 36 HA GLU 36 -5.161 -0.660 6.900 280 HB2 GLU 36 HB2 GLU 36 -5.101 -3.226 7.347 281 HB3 GLU 36 HB3 GLU 36 -3.416 -3.101 6.895 282 HG2 GLU 36 HG2 GLU 36 -4.854 -1.609 9.135 283 HG3 GLU 36 HG3 GLU 36 -3.823 -3.018 9.340 284 H ALA 37 H ALA 37 -4.178 1.091 5.993 285 HA ALA 37 HA ALA 37 -1.349 0.814 5.354 286 HB1 ALA 37 HB1 ALA 37 -1.481 2.056 3.280 287 HB2 ALA 37 HB2 ALA 37 -2.551 0.654 3.163 288 HB3 ALA 37 HB3 ALA 37 -3.238 2.254 3.441 289 H ASP 38 H ASP 38 -0.796 3.459 4.704 290 HA ASP 38 HA ASP 38 -2.242 5.219 6.520 291 HB2 ASP 38 HB2 ASP 38 -0.417 3.891 7.835 292 HB3 ASP 38 HB3 ASP 38 0.711 4.913 6.963 293 H LEU 39 H LEU 39 -1.823 7.359 6.012 294 HA LEU 39 HA LEU 39 -1.227 7.848 3.288 295 HB2 LEU 39 HB2 LEU 39 -2.879 9.100 4.621 296 HB3 LEU 39 HB3 LEU 39 -1.590 9.769 5.628 297 HG LEU 39 HG LEU 39 -0.657 10.982 3.665 298 HD11 LEU 39 HD11 LEU 39 -2.981 9.679 2.177 299 HD12 LEU 39 HD12 LEU 39 -1.266 9.526 1.814 300 HD13 LEU 39 HD13 LEU 39 -2.057 11.071 1.552 301 HD21 LEU 39 HD21 LEU 39 -3.607 11.332 4.291 302 HD22 LEU 39 HD22 LEU 39 -2.669 12.512 3.328 303 HD23 LEU 39 HD23 LEU 39 -2.233 12.174 5.009 304 H ALA 40 H ALA 40 0.657 8.043 2.318 305 HA ALA 40 HA ALA 40 2.774 9.790 3.180 306 HB1 ALA 40 HB1 ALA 40 3.348 6.818 3.109 307 HB2 ALA 40 HB2 ALA 40 4.536 8.128 3.295 308 HB3 ALA 40 HB3 ALA 40 3.344 7.823 4.571 309 HA PRO 41 HA PRO 41 1.634 9.204 -1.275 310 HB2 PRO 41 HB2 PRO 41 1.837 11.857 -1.997 311 HB3 PRO 41 HB3 PRO 41 0.366 11.109 -1.313 312 HG2 PRO 41 HG2 PRO 41 2.510 12.688 0.122 313 HG3 PRO 41 HG3 PRO 41 0.725 12.840 0.260 314 HD2 PRO 41 HD2 PRO 41 2.173 11.458 2.071 315 HD3 PRO 41 HD3 PRO 41 0.564 10.882 1.549 316 H LEU 42 H LEU 42 2.905 9.729 -3.254 317 HA LEU 42 HA LEU 42 5.599 9.054 -2.907 318 HB2 LEU 42 HB2 LEU 42 4.204 8.735 -4.946 319 HB3 LEU 42 HB3 LEU 42 4.344 10.460 -5.286 320 HG LEU 42 HG LEU 42 6.747 10.246 -5.662 321 HD11 LEU 42 HD11 LEU 42 7.382 8.448 -4.101 322 HD12 LEU 42 HD12 LEU 42 7.837 8.001 -5.742 323 HD13 LEU 42 HD13 LEU 42 6.385 7.278 -5.001 324 HD21 LEU 42 HD21 LEU 42 6.596 8.793 -7.668 325 HD22 LEU 42 HD22 LEU 42 5.170 9.811 -7.500 326 HD23 LEU 42 HD23 LEU 42 5.088 8.089 -7.054 327 H SER 43 H SER 43 4.071 12.241 -2.857 328 HA SER 43 HA SER 43 6.061 14.009 -3.349 329 HB2 SER 43 HB2 SER 43 4.301 14.425 -0.923 330 HB3 SER 43 HB3 SER 43 4.694 15.545 -2.209 331 HG SER 43 HG SER 43 2.736 15.001 -2.778 332 H VAL 44 H VAL 44 5.293 12.675 -0.088 333 HA VAL 44 HA VAL 44 7.654 13.775 1.080 334 HB VAL 44 HB VAL 44 5.512 13.530 2.151 335 HG11 VAL 44 HG11 VAL 44 4.742 11.552 3.258 336 HG12 VAL 44 HG12 VAL 44 4.758 11.326 1.521 337 HG13 VAL 44 HG13 VAL 44 6.041 10.584 2.519 338 HG21 VAL 44 HG21 VAL 44 7.742 12.140 3.698 339 HG22 VAL 44 HG22 VAL 44 7.628 13.891 3.419 340 HG23 VAL 44 HG23 VAL 44 6.380 13.079 4.360 341 H LEU 45 H LEU 45 6.830 10.611 -0.187 342 HA LEU 45 HA LEU 45 9.077 9.161 0.891 343 HB2 LEU 45 HB2 LEU 45 7.610 8.824 -1.740 344 HB3 LEU 45 HB3 LEU 45 8.865 7.754 -1.253 345 HG LEU 45 HG LEU 45 6.293 7.334 -0.875 346 HD11 LEU 45 HD11 LEU 45 8.527 6.361 0.953 347 HD12 LEU 45 HD12 LEU 45 8.050 5.667 -0.623 348 HD13 LEU 45 HD13 LEU 45 6.962 5.548 0.775 349 HD21 LEU 45 HD21 LEU 45 7.158 8.253 1.915 350 HD22 LEU 45 HD22 LEU 45 5.692 7.321 1.516 351 HD23 LEU 45 HD23 LEU 45 5.863 8.957 0.921 352 H GLU 46 H GLU 46 8.867 11.323 -1.896 353 HA GLU 46 HA GLU 46 11.489 10.638 -2.987 354 HB2 GLU 46 HB2 GLU 46 9.201 12.563 -3.555 355 HB3 GLU 46 HB3 GLU 46 10.717 12.751 -4.368 356 HG2 GLU 46 HG2 GLU 46 9.200 10.122 -4.432 357 HG3 GLU 46 HG3 GLU 46 8.875 11.449 -5.552 358 H GLN 47 H GLN 47 10.012 12.990 -0.821 359 HA GLN 47 HA GLN 47 12.160 14.914 -0.896 360 HB2 GLN 47 HB2 GLN 47 9.803 15.527 -0.708 361 HB3 GLN 47 HB3 GLN 47 9.607 14.492 0.712 362 HG2 GLN 47 HG2 GLN 47 11.067 15.928 2.023 363 HG3 GLN 47 HG3 GLN 47 11.385 16.908 0.599 364 HE21 GLN 47 HE21 GLN 47 10.045 18.733 0.441 365 HE22 GLN 47 HE22 GLN 47 8.499 18.909 1.267 366 H SER 48 H SER 48 10.916 12.455 1.391 367 HA SER 48 HA SER 48 13.466 12.597 2.933 368 HB2 SER 48 HB2 SER 48 10.660 12.965 4.069 369 HB3 SER 48 HB3 SER 48 12.128 12.763 5.025 370 HG SER 48 HG SER 48 12.929 14.700 4.157 371 H GLY 49 H GLY 49 11.374 10.531 1.365 372 HA2 GLY 49 HA2 GLY 49 11.305 8.245 1.388 373 HA3 GLY 49 HA3 GLY 49 12.499 8.253 2.674 374 H LEU 50 H LEU 50 11.109 6.336 3.119 375 HA LEU 50 HA LEU 50 8.503 6.332 4.031 376 HB2 LEU 50 HB2 LEU 50 10.029 4.398 3.421 377 HB3 LEU 50 HB3 LEU 50 10.864 4.646 4.947 378 HG LEU 50 HG LEU 50 8.490 4.271 6.052 379 HD11 LEU 50 HD11 LEU 50 8.081 2.966 3.323 380 HD12 LEU 50 HD12 LEU 50 7.218 4.412 3.879 381 HD13 LEU 50 HD13 LEU 50 7.007 2.876 4.733 382 HD21 LEU 50 HD21 LEU 50 10.281 2.738 6.382 383 HD22 LEU 50 HD22 LEU 50 10.135 2.140 4.725 384 HD23 LEU 50 HD23 LEU 50 8.871 1.782 5.868 385 HA PRO 51 HA PRO 51 8.975 8.143 8.149 386 HB2 PRO 51 HB2 PRO 51 6.550 7.473 9.225 387 HB3 PRO 51 HB3 PRO 51 6.743 8.791 7.997 388 HG2 PRO 51 HG2 PRO 51 5.846 5.934 7.637 389 HG3 PRO 51 HG3 PRO 51 5.133 7.412 6.911 390 HD2 PRO 51 HD2 PRO 51 6.857 5.777 5.569 391 HD3 PRO 51 HD3 PRO 51 6.839 7.542 5.302 392 H ALA 52 H ALA 52 9.332 7.473 10.261 393 HA ALA 52 HA ALA 52 10.229 4.890 10.862 394 HB1 ALA 52 HB1 ALA 52 9.183 7.096 12.704 395 HB2 ALA 52 HB2 ALA 52 10.176 5.731 13.199 396 HB3 ALA 52 HB3 ALA 52 10.848 6.936 12.090 397 H LYS 53 H LYS 53 7.005 6.359 11.536 398 HA LYS 53 HA LYS 53 6.008 4.162 13.025 399 HB2 LYS 53 HB2 LYS 53 3.764 5.065 12.583 400 HB3 LYS 53 HB3 LYS 53 4.903 6.286 13.126 401 HG2 LYS 53 HG2 LYS 53 4.633 7.521 11.282 402 HG3 LYS 53 HG3 LYS 53 4.954 6.164 10.212 403 HD2 LYS 53 HD2 LYS 53 2.653 5.407 10.371 404 HD3 LYS 53 HD3 LYS 53 2.230 6.738 11.456 405 HE2 LYS 53 HE2 LYS 53 3.531 7.245 8.756 406 HE3 LYS 53 HE3 LYS 53 1.794 6.937 8.858 407 HZ1 LYS 53 HZ1 LYS 53 2.644 9.317 8.999 408 HZ2 LYS 53 HZ2 LYS 53 2.969 8.999 10.579 409 HZ3 LYS 53 HZ3 LYS 53 1.427 8.816 10.011 410 H LEU 54 H LEU 54 6.766 4.063 9.656 411 HA LEU 54 HA LEU 54 5.139 1.571 9.432 412 HB2 LEU 54 HB2 LEU 54 5.661 3.503 7.151 413 HB3 LEU 54 HB3 LEU 54 4.610 2.091 7.143 414 HG LEU 54 HG LEU 54 4.018 4.545 8.803 415 HD11 LEU 54 HD11 LEU 54 4.215 5.000 6.265 416 HD12 LEU 54 HD12 LEU 54 2.781 5.541 7.130 417 HD13 LEU 54 HD13 LEU 54 2.714 4.074 6.141 418 HD21 LEU 54 HD21 LEU 54 2.176 2.345 7.756 419 HD22 LEU 54 HD22 LEU 54 1.737 3.679 8.835 420 HD23 LEU 54 HD23 LEU 54 2.833 2.420 9.399 421 H ARG 55 H ARG 55 7.918 2.114 10.211 422 HA ARG 55 HA ARG 55 9.526 1.163 7.918 423 HB2 ARG 55 HB2 ARG 55 11.423 1.721 9.214 424 HB3 ARG 55 HB3 ARG 55 10.249 3.001 9.449 425 HG2 ARG 55 HG2 ARG 55 10.669 2.728 11.652 426 HG3 ARG 55 HG3 ARG 55 9.588 1.338 11.538 427 HD2 ARG 55 HD2 ARG 55 12.039 0.240 10.853 428 HD3 ARG 55 HD3 ARG 55 12.510 1.530 11.961 429 HE ARG 55 HE ARG 55 10.351 0.224 13.154 430 HH11 ARG 55 HH11 ARG 55 13.650 -0.737 12.105 431 HH12 ARG 55 HH12 ARG 55 13.756 -2.040 13.224 432 HH21 ARG 55 HH21 ARG 55 10.569 -1.534 14.657 433 HH22 ARG 55 HH22 ARG 55 11.933 -2.586 14.596 434 H HIS 56 H HIS 56 7.597 -0.503 9.832 435 HA HIS 56 HA HIS 56 8.896 -2.438 11.173 436 HB2 HIS 56 HB2 HIS 56 6.364 -2.004 10.820 437 HB3 HIS 56 HB3 HIS 56 6.491 -3.160 9.493 438 HD1 HIS 56 HD1 HIS 56 5.462 -5.353 10.541 439 HD2 HIS 56 HD2 HIS 56 7.987 -3.206 13.141 440 HE1 HIS 56 HE1 HIS 56 5.819 -6.814 12.587 441 H GLU 57 H GLU 57 9.196 -4.756 10.802 442 HA GLU 57 HA GLU 57 11.222 -5.239 9.009 443 HB2 GLU 57 HB2 GLU 57 10.422 -6.393 11.198 444 HB3 GLU 57 HB3 GLU 57 9.538 -7.481 10.134 445 HG2 GLU 57 HG2 GLU 57 11.631 -8.159 9.040 446 HG3 GLU 57 HG3 GLU 57 12.519 -6.870 9.871 447 H GLN 58 H GLN 58 7.872 -5.388 8.178 448 HA GLN 58 HA GLN 58 8.541 -6.271 5.470 449 HB2 GLN 58 HB2 GLN 58 6.279 -7.521 7.106 450 HB3 GLN 58 HB3 GLN 58 6.519 -7.681 5.388 451 HG2 GLN 58 HG2 GLN 58 7.485 -9.652 5.997 452 HG3 GLN 58 HG3 GLN 58 8.916 -8.649 6.081 453 HE21 GLN 58 HE21 GLN 58 10.027 -9.761 7.805 454 HE22 GLN 58 HE22 GLN 58 9.309 -9.954 9.395 455 H ILE 59 H ILE 59 7.531 -4.833 4.086 456 HA ILE 59 HA ILE 59 5.154 -3.481 5.063 457 HB ILE 59 HB ILE 59 5.875 -1.424 4.990 458 HG12 ILE 59 HG12 ILE 59 8.525 -1.454 3.796 459 HG13 ILE 59 HG13 ILE 59 7.223 -1.832 2.650 460 HG21 ILE 59 HG21 ILE 59 7.972 -0.971 6.139 461 HG22 ILE 59 HG22 ILE 59 7.069 -2.302 6.873 462 HG23 ILE 59 HG23 ILE 59 8.492 -2.625 5.844 463 HD11 ILE 59 HD11 ILE 59 6.176 0.168 2.981 464 HD12 ILE 59 HD12 ILE 59 7.000 0.529 4.524 465 HD13 ILE 59 HD13 ILE 59 7.874 0.646 2.997 466 H ILE 60 H ILE 60 4.191 -2.242 3.168 467 HA ILE 60 HA ILE 60 4.572 -3.698 0.589 468 HB ILE 60 HB ILE 60 1.885 -3.378 1.986 469 HG12 ILE 60 HG12 ILE 60 3.751 -5.696 1.697 470 HG13 ILE 60 HG13 ILE 60 2.841 -5.162 3.085 471 HG21 ILE 60 HG21 ILE 60 0.896 -4.564 0.065 472 HG22 ILE 60 HG22 ILE 60 1.621 -3.092 -0.466 473 HG23 ILE 60 HG23 ILE 60 2.479 -4.630 -0.734 474 HD11 ILE 60 HD11 ILE 60 1.583 -6.539 0.660 475 HD12 ILE 60 HD12 ILE 60 2.107 -7.340 2.114 476 HD13 ILE 60 HD13 ILE 60 0.791 -6.153 2.229 477 H PHE 61 H PHE 61 3.870 -2.570 -1.238 478 HA PHE 61 HA PHE 61 3.334 0.330 -0.854 479 HB2 PHE 61 HB2 PHE 61 5.418 -1.119 -2.479 480 HB3 PHE 61 HB3 PHE 61 4.738 0.375 -3.101 481 HD1 PHE 61 HD1 PHE 61 5.136 2.514 -2.105 482 HD2 PHE 61 HD2 PHE 61 6.755 -1.046 -0.351 483 HE1 PHE 61 HE1 PHE 61 6.608 3.888 -0.659 484 HE2 PHE 61 HE2 PHE 61 8.385 0.327 0.922 485 HZ PHE 61 HZ PHE 61 8.286 2.797 0.815 486 H HIS 62 H HIS 62 1.968 1.328 -2.377 487 HA HIS 62 HA HIS 62 0.817 -0.144 -4.565 488 HB2 HIS 62 HB2 HIS 62 -1.114 -0.773 -3.656 489 HB3 HIS 62 HB3 HIS 62 -0.320 -0.627 -2.116 490 HD1 HIS 62 HD1 HIS 62 -0.871 1.936 -0.797 491 HD2 HIS 62 HD2 HIS 62 -3.321 0.582 -3.962 492 HE1 HIS 62 HE1 HIS 62 -2.981 3.361 -0.809 493 H CYS 63 H CYS 63 -0.919 1.140 -5.584 494 HA CYS 63 HA CYS 63 -0.978 4.024 -5.211 495 HB2 CYS 63 HB2 CYS 63 -0.179 4.451 -7.484 496 HB3 CYS 63 HB3 CYS 63 1.023 3.386 -6.740 497 HG CYS 63 HG CYS 63 -0.524 1.175 -7.658 498 H GLN 64 H GLN 64 -2.407 4.539 -7.470 499 HA GLN 64 HA GLN 64 -5.022 3.626 -7.021 500 HB2 GLN 64 HB2 GLN 64 -5.460 4.942 -9.094 501 HB3 GLN 64 HB3 GLN 64 -4.588 5.811 -7.863 502 HG2 GLN 64 HG2 GLN 64 -3.025 4.499 -10.115 503 HG3 GLN 64 HG3 GLN 64 -3.904 5.994 -10.395 504 HE21 GLN 64 HE21 GLN 64 -1.664 6.840 -10.973 505 HE22 GLN 64 HE22 GLN 64 -0.732 7.443 -9.613 506 H ALA 65 H ALA 65 -4.910 3.377 -10.396 507 HA ALA 65 HA ALA 65 -4.523 0.426 -10.365 508 HB1 ALA 65 HB1 ALA 65 -6.612 0.124 -11.576 509 HB2 ALA 65 HB2 ALA 65 -6.927 0.886 -10.007 510 HB3 ALA 65 HB3 ALA 65 -6.959 1.872 -11.484 511 H GLY 66 H GLY 66 -2.448 1.157 -11.266 512 HA2 GLY 66 HA2 GLY 66 -2.584 1.100 -14.162 513 HA3 GLY 66 HA3 GLY 66 -2.045 2.669 -13.560 514 H LYS 67 H LYS 67 -1.283 -0.397 -11.928 515 HA LYS 67 HA LYS 67 0.691 -1.352 -11.329 516 HB2 LYS 67 HB2 LYS 67 0.291 -1.801 -13.809 517 HB3 LYS 67 HB3 LYS 67 1.572 -0.640 -14.145 518 HG2 LYS 67 HG2 LYS 67 3.203 -2.095 -12.976 519 HG3 LYS 67 HG3 LYS 67 1.889 -3.221 -12.548 520 HD2 LYS 67 HD2 LYS 67 1.391 -3.484 -14.982 521 HD3 LYS 67 HD3 LYS 67 2.744 -2.415 -15.367 522 HE2 LYS 67 HE2 LYS 67 4.312 -4.019 -14.294 523 HE3 LYS 67 HE3 LYS 67 2.946 -5.088 -13.903 524 HZ1 LYS 67 HZ1 LYS 67 4.074 -5.771 -15.890 525 HZ2 LYS 67 HZ2 LYS 67 3.818 -4.322 -16.612 526 HZ3 LYS 67 HZ3 LYS 67 2.525 -5.314 -16.252 527 H ARG 68 H ARG 68 0.627 1.812 -11.519 528 HA ARG 68 HA ARG 68 3.113 2.901 -11.687 529 HB2 ARG 68 HB2 ARG 68 0.541 3.814 -11.349 530 HB3 ARG 68 HB3 ARG 68 1.206 4.170 -9.756 531 HG2 ARG 68 HG2 ARG 68 1.505 6.092 -11.084 532 HG3 ARG 68 HG3 ARG 68 3.113 5.361 -10.904 533 HD2 ARG 68 HD2 ARG 68 2.760 4.266 -13.167 534 HD3 ARG 68 HD3 ARG 68 1.248 5.160 -13.276 535 HE ARG 68 HE ARG 68 3.616 6.770 -12.674 536 HH11 ARG 68 HH11 ARG 68 1.455 5.582 -15.202 537 HH12 ARG 68 HH12 ARG 68 2.020 6.598 -16.455 538 HH21 ARG 68 HH21 ARG 68 4.308 8.308 -14.227 539 HH22 ARG 68 HH22 ARG 68 3.615 8.327 -15.819 540 H THR 69 H THR 69 2.939 0.613 -9.654 541 HA THR 69 HA THR 69 4.554 1.934 -7.517 542 HB THR 69 HB THR 69 3.281 -0.775 -7.167 543 HG1 THR 69 HG1 THR 69 1.638 0.812 -7.793 544 HG21 THR 69 HG21 THR 69 4.930 0.267 -5.542 545 HG22 THR 69 HG22 THR 69 3.372 -0.262 -4.896 546 HG23 THR 69 HG23 THR 69 3.663 1.480 -5.183 547 H SER 70 H SER 70 4.016 -1.306 -9.001 548 HA SER 70 HA SER 70 6.461 -2.418 -8.805 549 HB2 SER 70 HB2 SER 70 4.308 -3.403 -9.645 550 HB3 SER 70 HB3 SER 70 4.609 -2.652 -11.212 551 HG SER 70 HG SER 70 5.318 -4.924 -10.865 552 H ASN 71 H ASN 71 5.468 -0.383 -11.621 553 HA ASN 71 HA ASN 71 7.806 -0.844 -13.062 554 HB2 ASN 71 HB2 ASN 71 5.524 0.600 -13.506 555 HB3 ASN 71 HB3 ASN 71 6.728 1.886 -13.438 556 HD21 ASN 71 HD21 ASN 71 9.022 0.745 -14.596 557 HD22 ASN 71 HD22 ASN 71 8.626 0.163 -16.211 558 H ASN 72 H ASN 72 7.602 1.221 -10.256 559 HA ASN 72 HA ASN 72 10.440 2.020 -10.714 560 HB2 ASN 72 HB2 ASN 72 8.306 3.883 -9.615 561 HB3 ASN 72 HB3 ASN 72 10.018 4.241 -9.830 562 HD21 ASN 72 HD21 ASN 72 10.427 3.214 -12.512 563 HD22 ASN 72 HD22 ASN 72 9.418 4.139 -13.595 564 H ALA 73 H ALA 73 8.985 -0.116 -9.217 565 HA ALA 73 HA ALA 73 9.000 0.564 -6.448 566 HB1 ALA 73 HB1 ALA 73 9.183 -2.181 -7.731 567 HB2 ALA 73 HB2 ALA 73 8.726 -1.806 -6.052 568 HB3 ALA 73 HB3 ALA 73 7.685 -1.291 -7.366 569 H ASP 74 H ASP 74 11.726 -0.203 -8.542 570 HA ASP 74 HA ASP 74 13.360 -1.437 -6.545 571 HB2 ASP 74 HB2 ASP 74 13.924 -1.298 -8.996 572 HB3 ASP 74 HB3 ASP 74 14.470 0.365 -8.702 573 H LYS 75 H LYS 75 12.862 2.046 -7.251 574 HA LYS 75 HA LYS 75 14.692 2.816 -5.147 575 HB2 LYS 75 HB2 LYS 75 14.305 5.006 -5.664 576 HB3 LYS 75 HB3 LYS 75 14.052 4.186 -7.207 577 HG2 LYS 75 HG2 LYS 75 12.365 5.665 -7.277 578 HG3 LYS 75 HG3 LYS 75 11.522 4.295 -6.558 579 HD2 LYS 75 HD2 LYS 75 10.936 5.626 -4.861 580 HD3 LYS 75 HD3 LYS 75 12.619 5.724 -4.359 581 HE2 LYS 75 HE2 LYS 75 11.471 7.611 -6.462 582 HE3 LYS 75 HE3 LYS 75 11.229 7.890 -4.742 583 HZ1 LYS 75 HZ1 LYS 75 13.832 7.916 -6.130 584 HZ2 LYS 75 HZ2 LYS 75 13.668 7.965 -4.469 585 HZ3 LYS 75 HZ3 LYS 75 13.012 9.119 -5.402 586 H LEU 76 H LEU 76 11.298 1.916 -5.234 587 HA LEU 76 HA LEU 76 10.605 3.074 -2.656 588 HB2 LEU 76 HB2 LEU 76 9.255 0.783 -4.138 589 HB3 LEU 76 HB3 LEU 76 8.633 1.587 -2.708 590 HG LEU 76 HG LEU 76 9.120 2.937 -5.383 591 HD11 LEU 76 HD11 LEU 76 7.231 1.318 -5.434 592 HD12 LEU 76 HD12 LEU 76 6.697 2.989 -5.641 593 HD13 LEU 76 HD13 LEU 76 6.481 2.168 -4.078 594 HD21 LEU 76 HD21 LEU 76 9.319 4.567 -3.548 595 HD22 LEU 76 HD22 LEU 76 7.813 3.985 -2.838 596 HD23 LEU 76 HD23 LEU 76 7.789 4.826 -4.402 597 H ALA 77 H ALA 77 11.847 -0.073 -3.763 598 HA ALA 77 HA ALA 77 11.650 -1.489 -1.335 599 HB1 ALA 77 HB1 ALA 77 12.169 -2.671 -3.321 600 HB2 ALA 77 HB2 ALA 77 13.639 -1.733 -3.612 601 HB3 ALA 77 HB3 ALA 77 13.544 -2.850 -2.233 602 H ALA 78 H ALA 78 14.365 0.441 -2.722 603 HA ALA 78 HA ALA 78 16.138 0.323 -0.532 604 HB1 ALA 78 HB1 ALA 78 15.744 2.506 -2.629 605 HB2 ALA 78 HB2 ALA 78 17.177 2.310 -1.593 606 HB3 ALA 78 HB3 ALA 78 16.769 1.071 -2.792 607 H ILE 79 H ILE 79 13.460 2.549 -1.162 608 HA ILE 79 HA ILE 79 14.013 4.466 0.890 609 HB ILE 79 HB ILE 79 11.834 3.723 -0.986 610 HG12 ILE 79 HG12 ILE 79 12.956 6.390 -0.076 611 HG13 ILE 79 HG13 ILE 79 13.603 5.391 -1.394 612 HG21 ILE 79 HG21 ILE 79 10.465 3.787 1.031 613 HG22 ILE 79 HG22 ILE 79 11.067 5.438 1.364 614 HG23 ILE 79 HG23 ILE 79 10.117 5.074 -0.099 615 HD11 ILE 79 HD11 ILE 79 11.344 5.560 -2.514 616 HD12 ILE 79 HD12 ILE 79 10.915 6.811 -1.325 617 HD13 ILE 79 HD13 ILE 79 12.279 7.066 -2.430 618 H ALA 80 H ALA 80 12.595 1.218 1.030 619 HA ALA 80 HA ALA 80 11.934 1.722 3.902 620 HB1 ALA 80 HB1 ALA 80 10.661 -0.046 1.827 621 HB2 ALA 80 HB2 ALA 80 10.185 0.054 3.556 622 HB3 ALA 80 HB3 ALA 80 10.006 1.457 2.483 623 H ALA 81 H ALA 81 14.224 0.141 2.097 624 HA ALA 81 HA ALA 81 14.476 -2.385 3.284 625 HB1 ALA 81 HB1 ALA 81 16.823 -2.204 2.470 626 HB2 ALA 81 HB2 ALA 81 15.728 -1.472 1.292 627 HB3 ALA 81 HB3 ALA 81 16.669 -0.436 2.377 628 HA PRO 82 HA PRO 82 16.807 -3.563 4.122 629 HB2 PRO 82 HB2 PRO 82 17.233 -5.109 6.314 630 HB3 PRO 82 HB3 PRO 82 18.338 -3.799 5.822 631 HG2 PRO 82 HG2 PRO 82 16.104 -3.665 7.878 632 HG3 PRO 82 HG3 PRO 82 17.822 -3.187 8.082 633 HD2 PRO 82 HD2 PRO 82 15.917 -1.358 7.441 634 HD3 PRO 82 HD3 PRO 82 17.544 -1.275 6.706 635 H ALA 83 H ALA 83 13.794 -2.922 5.571 636 HA ALA 83 HA ALA 83 12.759 -5.531 5.952 637 HB1 ALA 83 HB1 ALA 83 10.568 -4.368 5.790 638 HB2 ALA 83 HB2 ALA 83 11.707 -3.452 6.801 639 HB3 ALA 83 HB3 ALA 83 11.367 -2.945 5.126 640 H GLU 84 H GLU 84 11.164 -6.625 4.686 641 HA GLU 84 HA GLU 84 11.768 -6.805 1.832 642 HB2 GLU 84 HB2 GLU 84 10.211 -8.423 3.860 643 HB3 GLU 84 HB3 GLU 84 9.829 -8.608 2.147 644 HG2 GLU 84 HG2 GLU 84 12.627 -8.923 3.296 645 HG3 GLU 84 HG3 GLU 84 11.491 -10.234 2.993 646 H ILE 85 H ILE 85 10.519 -5.838 0.277 647 HA ILE 85 HA ILE 85 8.016 -4.510 1.103 648 HB ILE 85 HB ILE 85 10.330 -3.698 -0.621 649 HG12 ILE 85 HG12 ILE 85 10.083 -1.612 0.333 650 HG13 ILE 85 HG13 ILE 85 8.440 -1.937 0.883 651 HG21 ILE 85 HG21 ILE 85 8.968 -2.025 -1.850 652 HG22 ILE 85 HG22 ILE 85 8.569 -3.682 -2.324 653 HG23 ILE 85 HG23 ILE 85 7.482 -2.819 -1.256 654 HD11 ILE 85 HD11 ILE 85 10.810 -3.476 1.955 655 HD12 ILE 85 HD12 ILE 85 10.284 -1.994 2.691 656 HD13 ILE 85 HD13 ILE 85 9.147 -3.327 2.643 657 H PHE 86 H PHE 86 6.207 -4.821 0.032 658 HA PHE 86 HA PHE 86 6.279 -6.649 -2.271 659 HB2 PHE 86 HB2 PHE 86 4.146 -6.664 -0.108 660 HB3 PHE 86 HB3 PHE 86 4.199 -7.689 -1.508 661 HD1 PHE 86 HD1 PHE 86 6.295 -6.927 1.565 662 HD2 PHE 86 HD2 PHE 86 4.988 -9.838 -1.342 663 HE1 PHE 86 HE1 PHE 86 7.512 -8.684 2.782 664 HE2 PHE 86 HE2 PHE 86 6.236 -11.586 -0.143 665 HZ PHE 86 HZ PHE 86 7.516 -11.023 1.932 666 H LEU 87 H LEU 87 4.251 -6.712 -3.479 667 HA LEU 87 HA LEU 87 3.067 -4.008 -3.865 668 HB2 LEU 87 HB2 LEU 87 4.116 -5.957 -5.960 669 HB3 LEU 87 HB3 LEU 87 3.290 -4.444 -6.308 670 HG LEU 87 HG LEU 87 5.990 -4.667 -4.868 671 HD11 LEU 87 HD11 LEU 87 6.132 -5.459 -7.175 672 HD12 LEU 87 HD12 LEU 87 6.924 -3.885 -7.017 673 HD13 LEU 87 HD13 LEU 87 5.292 -4.002 -7.734 674 HD21 LEU 87 HD21 LEU 87 6.167 -2.248 -5.344 675 HD22 LEU 87 HD22 LEU 87 4.766 -2.578 -4.319 676 HD23 LEU 87 HD23 LEU 87 4.530 -2.269 -6.051 677 H LEU 88 H LEU 88 0.957 -4.276 -3.445 678 HA LEU 88 HA LEU 88 -0.382 -6.846 -3.661 679 HB2 LEU 88 HB2 LEU 88 -0.816 -4.853 -1.995 680 HB3 LEU 88 HB3 LEU 88 -1.716 -4.173 -3.343 681 HG LEU 88 HG LEU 88 -3.122 -6.308 -3.353 682 HD11 LEU 88 HD11 LEU 88 -1.654 -7.827 -2.141 683 HD12 LEU 88 HD12 LEU 88 -3.133 -7.589 -1.209 684 HD13 LEU 88 HD13 LEU 88 -1.653 -6.748 -0.726 685 HD21 LEU 88 HD21 LEU 88 -3.190 -4.654 -0.787 686 HD22 LEU 88 HD22 LEU 88 -4.501 -5.673 -1.376 687 HD23 LEU 88 HD23 LEU 88 -4.003 -4.244 -2.308 688 H GLU 89 H GLU 89 0.044 -7.283 -5.879 689 HA GLU 89 HA GLU 89 -0.236 -7.289 -8.121 690 HB2 GLU 89 HB2 GLU 89 -3.090 -6.629 -7.374 691 HB3 GLU 89 HB3 GLU 89 -2.564 -7.428 -8.848 692 HG2 GLU 89 HG2 GLU 89 -2.190 -8.588 -6.037 693 HG3 GLU 89 HG3 GLU 89 -3.491 -8.993 -7.130 694 H ASP 90 H ASP 90 -2.696 -5.223 -9.052 695 HA ASP 90 HA ASP 90 -0.824 -3.376 -10.226 696 HB2 ASP 90 HB2 ASP 90 -3.298 -4.290 -10.922 697 HB3 ASP 90 HB3 ASP 90 -3.680 -2.663 -10.334 698 H GLY 91 H GLY 91 -2.017 -3.261 -7.102 699 HA2 GLY 91 HA2 GLY 91 -0.966 -1.272 -5.936 700 HA3 GLY 91 HA3 GLY 91 -1.936 -0.283 -7.057 701 H ILE 92 H ILE 92 -4.138 -0.321 -6.948 702 HA ILE 92 HA ILE 92 -5.249 -1.142 -4.301 703 HB ILE 92 HB ILE 92 -5.509 1.188 -5.665 704 HG12 ILE 92 HG12 ILE 92 -5.941 1.136 -3.420 705 HG13 ILE 92 HG13 ILE 92 -7.395 1.757 -4.161 706 HG21 ILE 92 HG21 ILE 92 -6.894 0.265 -7.468 707 HG22 ILE 92 HG22 ILE 92 -8.144 -0.178 -6.275 708 HG23 ILE 92 HG23 ILE 92 -7.714 1.523 -6.539 709 HD11 ILE 92 HD11 ILE 92 -7.023 -1.057 -3.032 710 HD12 ILE 92 HD12 ILE 92 -7.892 0.269 -2.295 711 HD13 ILE 92 HD13 ILE 92 -8.514 -0.445 -3.808 712 H ASP 93 H ASP 93 -5.354 -1.942 -7.611 713 HA ASP 93 HA ASP 93 -7.638 -3.393 -8.077 714 HB2 ASP 93 HB2 ASP 93 -5.928 -2.973 -9.760 715 HB3 ASP 93 HB3 ASP 93 -4.751 -3.937 -8.844 716 H GLY 94 H GLY 94 -4.591 -4.626 -6.684 717 HA2 GLY 94 HA2 GLY 94 -5.063 -7.265 -6.317 718 HA3 GLY 94 HA3 GLY 94 -4.152 -6.277 -5.170 719 H TRP 95 H TRP 95 -5.811 -4.879 -3.693 720 HA TRP 95 HA TRP 95 -7.070 -6.538 -1.916 721 HB2 TRP 95 HB2 TRP 95 -6.642 -4.240 -1.448 722 HB3 TRP 95 HB3 TRP 95 -7.889 -3.720 -2.571 723 HD1 TRP 95 HD1 TRP 95 -9.889 -2.931 -1.253 724 HE1 TRP 95 HE1 TRP 95 -11.237 -3.712 0.816 725 HE3 TRP 95 HE3 TRP 95 -7.155 -7.052 0.116 726 HZ2 TRP 95 HZ2 TRP 95 -10.803 -5.437 3.078 727 HZ3 TRP 95 HZ3 TRP 95 -7.577 -8.164 2.263 728 HH2 TRP 95 HH2 TRP 95 -9.339 -7.360 3.781 729 H LYS 96 H LYS 96 -8.661 -4.658 -4.550 730 HA LYS 96 HA LYS 96 -11.254 -5.763 -4.093 731 HB2 LYS 96 HB2 LYS 96 -10.613 -3.556 -5.210 732 HB3 LYS 96 HB3 LYS 96 -10.375 -4.492 -6.696 733 HG2 LYS 96 HG2 LYS 96 -12.712 -5.215 -6.669 734 HG3 LYS 96 HG3 LYS 96 -12.955 -4.555 -5.047 735 HD2 LYS 96 HD2 LYS 96 -12.658 -2.291 -5.837 736 HD3 LYS 96 HD3 LYS 96 -12.224 -2.854 -7.463 737 HE2 LYS 96 HE2 LYS 96 -14.391 -3.685 -7.909 738 HE3 LYS 96 HE3 LYS 96 -14.874 -3.599 -6.204 739 HZ1 LYS 96 HZ1 LYS 96 -15.787 -1.770 -7.523 740 HZ2 LYS 96 HZ2 LYS 96 -14.251 -1.237 -7.858 741 HZ3 LYS 96 HZ3 LYS 96 -14.806 -1.223 -6.322 742 H LYS 97 H LYS 97 -8.614 -7.181 -5.994 743 HA LYS 97 HA LYS 97 -10.355 -8.706 -7.708 744 HB2 LYS 97 HB2 LYS 97 -7.539 -9.309 -6.727 745 HB3 LYS 97 HB3 LYS 97 -8.449 -10.318 -7.858 746 HG2 LYS 97 HG2 LYS 97 -8.791 -8.186 -9.279 747 HG3 LYS 97 HG3 LYS 97 -7.481 -7.493 -8.315 748 HD2 LYS 97 HD2 LYS 97 -7.349 -10.043 -9.967 749 HD3 LYS 97 HD3 LYS 97 -6.685 -8.463 -10.407 750 HE2 LYS 97 HE2 LYS 97 -5.208 -8.538 -8.398 751 HE3 LYS 97 HE3 LYS 97 -5.865 -10.133 -7.973 752 HZ1 LYS 97 HZ1 LYS 97 -4.978 -10.976 -10.054 753 HZ2 LYS 97 HZ2 LYS 97 -3.760 -10.317 -9.156 754 HZ3 LYS 97 HZ3 LYS 97 -4.373 -9.490 -10.424 755 H ALA 98 H ALA 98 -9.656 -9.023 -4.311 756 HA ALA 98 HA ALA 98 -10.577 -11.811 -4.099 757 HB1 ALA 98 HB1 ALA 98 -10.462 -11.193 -1.630 758 HB2 ALA 98 HB2 ALA 98 -8.947 -11.004 -2.496 759 HB3 ALA 98 HB3 ALA 98 -9.937 -9.580 -2.106 760 H GLY 99 H GLY 99 -12.023 -8.771 -4.564 761 HA2 GLY 99 HA2 GLY 99 -14.194 -8.173 -4.832 762 HA3 GLY 99 HA3 GLY 99 -14.746 -9.601 -3.948 763 H LEU 100 H LEU 100 -12.274 -8.320 -2.121 764 HA LEU 100 HA LEU 100 -13.962 -7.496 -0.044 765 HB2 LEU 100 HB2 LEU 100 -10.979 -7.225 -0.453 766 HB3 LEU 100 HB3 LEU 100 -11.838 -6.967 1.071 767 HG LEU 100 HG LEU 100 -11.997 -9.628 -0.391 768 HD11 LEU 100 HD11 LEU 100 -10.169 -10.518 0.801 769 HD12 LEU 100 HD12 LEU 100 -10.087 -9.113 1.879 770 HD13 LEU 100 HD13 LEU 100 -9.581 -8.961 0.195 771 HD21 LEU 100 HD21 LEU 100 -12.400 -8.849 2.529 772 HD22 LEU 100 HD22 LEU 100 -12.518 -10.493 1.870 773 HD23 LEU 100 HD23 LEU 100 -13.688 -9.258 1.373 774 HA PRO 101 HA PRO 101 -14.274 -3.240 -1.496 775 HB2 PRO 101 HB2 PRO 101 -15.959 -2.235 0.369 776 HB3 PRO 101 HB3 PRO 101 -16.496 -3.469 -0.813 777 HG2 PRO 101 HG2 PRO 101 -15.699 -3.868 2.073 778 HG3 PRO 101 HG3 PRO 101 -17.066 -4.603 1.174 779 HD2 PRO 101 HD2 PRO 101 -14.577 -5.814 1.617 780 HD3 PRO 101 HD3 PRO 101 -15.695 -6.261 0.301 781 H VAL 102 H VAL 102 -13.411 -1.087 -0.822 782 HA VAL 102 HA VAL 102 -11.247 -1.125 1.030 783 HB VAL 102 HB VAL 102 -11.380 1.320 0.042 784 HG11 VAL 102 HG11 VAL 102 -10.762 -0.979 -1.843 785 HG12 VAL 102 HG12 VAL 102 -10.148 0.680 -1.929 786 HG13 VAL 102 HG13 VAL 102 -9.681 -0.365 -0.579 787 HG21 VAL 102 HG21 VAL 102 -13.761 0.869 -0.974 788 HG22 VAL 102 HG22 VAL 102 -12.591 1.572 -2.092 789 HG23 VAL 102 HG23 VAL 102 -12.936 -0.129 -2.179 790 H ALA 103 H ALA 103 -11.184 0.910 2.601 791 HA ALA 103 HA ALA 103 -13.683 0.894 4.140 792 HB1 ALA 103 HB1 ALA 103 -11.408 0.863 5.225 793 HB2 ALA 103 HB2 ALA 103 -11.223 2.558 4.708 794 HB3 ALA 103 HB3 ALA 103 -12.523 2.121 5.797 795 H VAL 104 H VAL 104 -14.922 1.793 2.256 796 HA VAL 104 HA VAL 104 -14.474 4.608 1.582 797 HB VAL 104 HB VAL 104 -16.748 4.221 0.367 798 HG11 VAL 104 HG11 VAL 104 -14.932 4.317 -1.016 799 HG12 VAL 104 HG12 VAL 104 -14.125 2.904 -0.315 800 HG13 VAL 104 HG13 VAL 104 -15.518 2.708 -1.391 801 HG21 VAL 104 HG21 VAL 104 -16.147 1.267 0.823 802 HG22 VAL 104 HG22 VAL 104 -17.429 2.173 1.670 803 HG23 VAL 104 HG23 VAL 104 -17.479 1.993 -0.086 804 H ASN 105 H ASN 105 -16.194 6.228 1.899 805 HA ASN 105 HA ASN 105 -17.473 5.934 4.584 806 HB2 ASN 105 HB2 ASN 105 -16.020 7.895 4.391 807 HB3 ASN 105 HB3 ASN 105 -16.851 8.389 2.908 808 HD21 ASN 105 HD21 ASN 105 -17.922 10.335 3.599 809 HD22 ASN 105 HD22 ASN 105 -19.001 10.305 5.007 810 H LYS 106 H LYS 106 -19.542 5.203 4.382 811 HA LYS 106 HA LYS 106 -21.693 4.955 3.701 812 HB2 LYS 106 HB2 LYS 106 -22.390 7.076 3.906 813 HB3 LYS 106 HB3 LYS 106 -21.088 7.753 2.982 814 HG2 LYS 106 HG2 LYS 106 -22.262 7.096 0.863 815 HG3 LYS 106 HG3 LYS 106 -23.654 6.609 1.861 816 HD2 LYS 106 HD2 LYS 106 -23.763 8.912 2.789 817 HD3 LYS 106 HD3 LYS 106 -22.388 9.394 1.787 818 HE2 LYS 106 HE2 LYS 106 -24.871 8.184 0.565 819 HE3 LYS 106 HE3 LYS 106 -24.824 9.903 0.974 820 HZ1 LYS 106 HZ1 LYS 106 -24.191 9.412 -1.326 821 HZ2 LYS 106 HZ2 LYS 106 -22.853 8.612 -0.825 822 HZ3 LYS 106 HZ3 LYS 106 -23.036 10.224 -0.500 823 H SER 107 H SER 107 -23.123 4.492 1.656 824 HA SER 107 HA SER 107 -21.363 3.281 -0.402 825 HB2 SER 107 HB2 SER 107 -23.248 1.637 -0.630 826 HB3 SER 107 HB3 SER 107 -22.358 1.582 0.891 827 HG SER 107 HG SER 107 -24.512 1.417 1.265 828 H GLN 108 H GLN 108 -22.450 2.909 -2.454 829 HA GLN 108 HA GLN 108 -23.051 3.806 -4.423 830 HB2 GLN 108 HB2 GLN 108 -25.594 4.153 -2.818 831 HB3 GLN 108 HB3 GLN 108 -25.513 4.443 -4.559 832 HG2 GLN 108 HG2 GLN 108 -24.718 1.771 -3.369 833 HG3 GLN 108 HG3 GLN 108 -26.386 2.179 -3.783 834 HE21 GLN 108 HE21 GLN 108 -26.649 0.672 -5.593 835 HE22 GLN 108 HE22 GLN 108 -25.735 0.923 -7.062 Start of MODEL 8 1 H ALA 1 H ALA 1 14.099 -8.751 -0.140 2 HA ALA 1 HA ALA 1 13.995 -8.906 -2.503 3 HB1 ALA 1 HB1 ALA 1 13.025 -11.148 -2.884 4 HB2 ALA 1 HB2 ALA 1 13.928 -11.120 -1.347 5 HB3 ALA 1 HB3 ALA 1 12.173 -11.043 -1.332 6 H LEU 2 H LEU 2 12.948 -8.005 -4.213 7 HA LEU 2 HA LEU 2 10.309 -6.876 -3.831 8 HB2 LEU 2 HB2 LEU 2 12.108 -7.141 -6.288 9 HB3 LEU 2 HB3 LEU 2 10.489 -6.451 -6.362 10 HG LEU 2 HG LEU 2 12.798 -5.360 -4.700 11 HD11 LEU 2 HD11 LEU 2 13.088 -5.019 -7.115 12 HD12 LEU 2 HD12 LEU 2 12.729 -3.488 -6.314 13 HD13 LEU 2 HD13 LEU 2 11.460 -4.334 -7.251 14 HD21 LEU 2 HD21 LEU 2 10.862 -4.788 -3.505 15 HD22 LEU 2 HD22 LEU 2 9.887 -4.527 -4.967 16 HD23 LEU 2 HD23 LEU 2 11.141 -3.369 -4.503 17 H THR 3 H THR 3 8.606 -8.204 -3.613 18 HA THR 3 HA THR 3 8.211 -10.339 -5.644 19 HB THR 3 HB THR 3 7.880 -10.424 -2.634 20 HG1 THR 3 HG1 THR 3 9.612 -11.787 -4.435 21 HG21 THR 3 HG21 THR 3 7.317 -12.805 -2.862 22 HG22 THR 3 HG22 THR 3 7.234 -12.631 -4.622 23 HG23 THR 3 HG23 THR 3 6.072 -11.773 -3.573 24 H THR 4 H THR 4 6.107 -10.785 -6.258 25 HA THR 4 HA THR 4 4.093 -8.681 -5.761 26 HB THR 4 HB THR 4 3.180 -10.509 -7.707 27 HG1 THR 4 HG1 THR 4 5.920 -9.868 -8.178 28 HG21 THR 4 HG21 THR 4 2.795 -8.083 -7.656 29 HG22 THR 4 HG22 THR 4 3.338 -8.642 -9.239 30 HG23 THR 4 HG23 THR 4 4.485 -7.806 -8.145 31 H ILE 5 H ILE 5 2.600 -9.160 -4.256 32 HA ILE 5 HA ILE 5 1.991 -12.010 -3.684 33 HB ILE 5 HB ILE 5 3.436 -11.096 -2.039 34 HG12 ILE 5 HG12 ILE 5 0.684 -11.315 -0.800 35 HG13 ILE 5 HG13 ILE 5 1.506 -12.685 -1.540 36 HG21 ILE 5 HG21 ILE 5 2.924 -8.682 -2.267 37 HG22 ILE 5 HG22 ILE 5 1.398 -8.928 -1.427 38 HG23 ILE 5 HG23 ILE 5 2.936 -9.224 -0.588 39 HD11 ILE 5 HD11 ILE 5 3.382 -12.530 -0.046 40 HD12 ILE 5 HD12 ILE 5 2.798 -11.009 0.641 41 HD13 ILE 5 HD13 ILE 5 1.897 -12.516 0.937 42 H SER 6 H SER 6 0.116 -12.361 -4.669 43 HA SER 6 HA SER 6 -1.688 -10.363 -5.474 44 HB2 SER 6 HB2 SER 6 -3.049 -12.331 -6.148 45 HB3 SER 6 HB3 SER 6 -1.357 -12.531 -6.555 46 HG SER 6 HG SER 6 -2.170 -14.400 -5.627 47 HA PRO 7 HA PRO 7 -4.279 -9.552 -2.035 48 HB2 PRO 7 HB2 PRO 7 -6.791 -9.216 -3.073 49 HB3 PRO 7 HB3 PRO 7 -5.412 -8.168 -3.476 50 HG2 PRO 7 HG2 PRO 7 -6.365 -10.609 -5.021 51 HG3 PRO 7 HG3 PRO 7 -6.137 -8.946 -5.656 52 HD2 PRO 7 HD2 PRO 7 -4.204 -10.734 -5.932 53 HD3 PRO 7 HD3 PRO 7 -3.781 -9.074 -5.436 54 H HIS 8 H HIS 8 -3.661 -11.952 -1.489 55 HA HIS 8 HA HIS 8 -6.082 -13.138 -0.292 56 HB2 HIS 8 HB2 HIS 8 -5.992 -14.393 -2.345 57 HB3 HIS 8 HB3 HIS 8 -4.240 -14.586 -2.260 58 HD1 HIS 8 HD1 HIS 8 -7.421 -15.970 -0.516 59 HD2 HIS 8 HD2 HIS 8 -3.293 -16.714 -1.035 60 HE1 HIS 8 HE1 HIS 8 -6.955 -18.285 0.462 61 H ASP 9 H ASP 9 -2.556 -13.970 -0.881 62 HA ASP 9 HA ASP 9 -2.137 -14.775 1.848 63 HB2 ASP 9 HB2 ASP 9 -0.327 -14.024 -0.472 64 HB3 ASP 9 HB3 ASP 9 0.353 -14.194 1.151 65 H ALA 10 H ALA 10 -1.605 -11.724 0.074 66 HA ALA 10 HA ALA 10 -0.387 -10.383 2.230 67 HB1 ALA 10 HB1 ALA 10 -1.140 -8.293 0.968 68 HB2 ALA 10 HB2 ALA 10 -0.142 -9.443 0.070 69 HB3 ALA 10 HB3 ALA 10 -1.899 -9.436 -0.191 70 H GLN 11 H GLN 11 -3.775 -11.060 1.664 71 HA GLN 11 HA GLN 11 -4.892 -9.044 3.324 72 HB2 GLN 11 HB2 GLN 11 -6.055 -10.601 1.662 73 HB3 GLN 11 HB3 GLN 11 -5.907 -11.882 2.866 74 HG2 GLN 11 HG2 GLN 11 -6.995 -9.505 4.072 75 HG3 GLN 11 HG3 GLN 11 -7.933 -9.934 2.649 76 HE21 GLN 11 HE21 GLN 11 -6.720 -11.175 5.762 77 HE22 GLN 11 HE22 GLN 11 -7.995 -12.379 5.959 78 H GLU 12 H GLU 12 -3.121 -11.953 4.057 79 HA GLU 12 HA GLU 12 -4.099 -12.347 6.705 80 HB2 GLU 12 HB2 GLU 12 -3.184 -14.069 4.950 81 HB3 GLU 12 HB3 GLU 12 -1.583 -13.583 5.484 82 HG2 GLU 12 HG2 GLU 12 -2.041 -14.135 7.699 83 HG3 GLU 12 HG3 GLU 12 -3.762 -14.386 7.422 84 H LEU 13 H LEU 13 -0.838 -11.639 5.418 85 HA LEU 13 HA LEU 13 0.389 -10.847 7.758 86 HB2 LEU 13 HB2 LEU 13 2.109 -9.756 6.350 87 HB3 LEU 13 HB3 LEU 13 1.684 -11.404 5.914 88 HG LEU 13 HG LEU 13 0.071 -10.304 4.198 89 HD11 LEU 13 HD11 LEU 13 0.537 -7.858 4.865 90 HD12 LEU 13 HD12 LEU 13 0.690 -8.273 3.189 91 HD13 LEU 13 HD13 LEU 13 2.148 -8.094 4.204 92 HD21 LEU 13 HD21 LEU 13 3.068 -10.350 3.808 93 HD22 LEU 13 HD22 LEU 13 1.867 -10.251 2.507 94 HD23 LEU 13 HD23 LEU 13 1.927 -11.688 3.543 95 H ILE 14 H ILE 14 -1.517 -8.741 5.584 96 HA ILE 14 HA ILE 14 -0.876 -6.317 6.869 97 HB ILE 14 HB ILE 14 -2.585 -7.325 4.860 98 HG12 ILE 14 HG12 ILE 14 -2.253 -4.386 5.279 99 HG13 ILE 14 HG13 ILE 14 -0.853 -5.399 4.974 100 HG21 ILE 14 HG21 ILE 14 -4.465 -7.289 6.226 101 HG22 ILE 14 HG22 ILE 14 -4.222 -5.570 6.626 102 HG23 ILE 14 HG23 ILE 14 -4.629 -6.035 4.969 103 HD11 ILE 14 HD11 ILE 14 -3.235 -5.270 3.128 104 HD12 ILE 14 HD12 ILE 14 -1.663 -4.481 2.895 105 HD13 ILE 14 HD13 ILE 14 -1.753 -6.256 2.912 106 H ALA 15 H ALA 15 -3.200 -8.854 7.833 107 HA ALA 15 HA ALA 15 -4.220 -7.174 10.029 108 HB1 ALA 15 HB1 ALA 15 -5.615 -9.161 10.514 109 HB2 ALA 15 HB2 ALA 15 -5.776 -8.640 8.830 110 HB3 ALA 15 HB3 ALA 15 -4.786 -10.065 9.232 111 H ARG 16 H ARG 16 -1.389 -8.894 9.510 112 HA ARG 16 HA ARG 16 -1.244 -9.844 12.319 113 HB2 ARG 16 HB2 ARG 16 0.713 -10.451 10.085 114 HB3 ARG 16 HB3 ARG 16 0.664 -11.139 11.697 115 HG2 ARG 16 HG2 ARG 16 -1.868 -11.779 10.755 116 HG3 ARG 16 HG3 ARG 16 -0.910 -11.803 9.280 117 HD2 ARG 16 HD2 ARG 16 0.796 -13.239 10.459 118 HD3 ARG 16 HD3 ARG 16 -0.270 -13.318 11.844 119 HE ARG 16 HE ARG 16 -0.414 -14.748 9.329 120 HH11 ARG 16 HH11 ARG 16 -2.423 -13.681 12.085 121 HH12 ARG 16 HH12 ARG 16 -3.655 -14.879 11.774 122 HH21 ARG 16 HH21 ARG 16 -1.996 -16.406 9.064 123 HH22 ARG 16 HH22 ARG 16 -3.326 -16.571 10.157 124 H GLY 17 H GLY 17 0.256 -7.498 10.100 125 HA2 GLY 17 HA2 GLY 17 1.163 -5.718 11.902 126 HA3 GLY 17 HA3 GLY 17 2.448 -6.933 11.973 127 H ALA 18 H ALA 18 1.806 -7.280 8.834 128 HA ALA 18 HA ALA 18 4.025 -5.602 8.029 129 HB1 ALA 18 HB1 ALA 18 3.426 -6.349 5.751 130 HB2 ALA 18 HB2 ALA 18 3.559 -7.720 6.889 131 HB3 ALA 18 HB3 ALA 18 1.959 -7.083 6.400 132 H LYS 19 H LYS 19 3.933 -3.457 7.415 133 HA LYS 19 HA LYS 19 1.285 -2.119 7.219 134 HB2 LYS 19 HB2 LYS 19 4.151 -1.116 6.963 135 HB3 LYS 19 HB3 LYS 19 2.759 -0.091 6.917 136 HG2 LYS 19 HG2 LYS 19 3.755 -1.695 9.311 137 HG3 LYS 19 HG3 LYS 19 3.777 0.044 9.086 138 HD2 LYS 19 HD2 LYS 19 2.001 -0.155 10.508 139 HD3 LYS 19 HD3 LYS 19 1.143 -0.212 8.961 140 HE2 LYS 19 HE2 LYS 19 1.067 -2.640 9.053 141 HE3 LYS 19 HE3 LYS 19 2.152 -2.688 10.446 142 HZ1 LYS 19 HZ1 LYS 19 -0.454 -1.354 10.630 143 HZ2 LYS 19 HZ2 LYS 19 0.451 -2.077 11.835 144 HZ3 LYS 19 HZ3 LYS 19 -0.332 -2.995 10.741 145 H LEU 20 H LEU 20 0.663 -0.708 5.430 146 HA LEU 20 HA LEU 20 1.887 -1.383 2.827 147 HB2 LEU 20 HB2 LEU 20 -0.277 -2.483 3.116 148 HB3 LEU 20 HB3 LEU 20 -1.016 -0.972 3.636 149 HG LEU 20 HG LEU 20 -0.575 -0.001 1.373 150 HD11 LEU 20 HD11 LEU 20 0.333 -2.786 0.685 151 HD12 LEU 20 HD12 LEU 20 1.307 -1.289 0.596 152 HD13 LEU 20 HD13 LEU 20 -0.062 -1.518 -0.490 153 HD21 LEU 20 HD21 LEU 20 -2.114 -2.637 1.366 154 HD22 LEU 20 HD22 LEU 20 -2.332 -1.271 0.244 155 HD23 LEU 20 HD23 LEU 20 -2.718 -1.117 1.966 156 H ILE 21 H ILE 21 2.265 0.517 1.554 157 HA ILE 21 HA ILE 21 1.786 3.121 2.968 158 HB ILE 21 HB ILE 21 3.956 2.569 0.930 159 HG12 ILE 21 HG12 ILE 21 4.426 1.079 2.790 160 HG13 ILE 21 HG13 ILE 21 5.609 2.367 2.644 161 HG21 ILE 21 HG21 ILE 21 3.595 4.773 2.998 162 HG22 ILE 21 HG22 ILE 21 4.988 4.608 1.905 163 HG23 ILE 21 HG23 ILE 21 3.382 4.943 1.251 164 HD11 ILE 21 HD11 ILE 21 5.052 1.825 4.985 165 HD12 ILE 21 HD12 ILE 21 4.661 3.507 4.595 166 HD13 ILE 21 HD13 ILE 21 3.366 2.281 4.702 167 H ASP 22 H ASP 22 0.568 4.555 2.003 168 HA ASP 22 HA ASP 22 -0.511 3.999 -0.701 169 HB2 ASP 22 HB2 ASP 22 -1.290 5.744 1.655 170 HB3 ASP 22 HB3 ASP 22 -1.822 6.175 0.043 171 H ILE 23 H ILE 23 1.237 4.466 -1.976 172 HA ILE 23 HA ILE 23 2.512 7.136 -1.831 173 HB ILE 23 HB ILE 23 4.073 6.204 -3.445 174 HG12 ILE 23 HG12 ILE 23 3.055 3.387 -3.027 175 HG13 ILE 23 HG13 ILE 23 2.177 4.390 -4.199 176 HG21 ILE 23 HG21 ILE 23 4.495 5.984 -1.006 177 HG22 ILE 23 HG22 ILE 23 3.746 4.375 -1.021 178 HG23 ILE 23 HG23 ILE 23 5.227 4.672 -1.951 179 HD11 ILE 23 HD11 ILE 23 4.129 4.840 -5.464 180 HD12 ILE 23 HD12 ILE 23 5.167 3.981 -4.283 181 HD13 ILE 23 HD13 ILE 23 3.948 3.085 -5.241 182 H ARG 24 H ARG 24 -0.189 7.141 -2.544 183 HA ARG 24 HA ARG 24 -0.277 7.704 -5.467 184 HB2 ARG 24 HB2 ARG 24 -2.886 7.376 -4.897 185 HB3 ARG 24 HB3 ARG 24 -1.852 6.068 -5.395 186 HG2 ARG 24 HG2 ARG 24 -1.603 5.142 -3.300 187 HG3 ARG 24 HG3 ARG 24 -2.084 6.634 -2.454 188 HD2 ARG 24 HD2 ARG 24 -4.405 6.159 -3.796 189 HD3 ARG 24 HD3 ARG 24 -3.844 4.518 -3.569 190 HE ARG 24 HE ARG 24 -3.734 6.283 -1.223 191 HH11 ARG 24 HH11 ARG 24 -5.810 3.729 -2.733 192 HH12 ARG 24 HH12 ARG 24 -7.078 4.076 -1.574 193 HH21 ARG 24 HH21 ARG 24 -5.005 5.637 0.607 194 HH22 ARG 24 HH22 ARG 24 -6.628 5.170 0.309 195 H ASP 25 H ASP 25 -2.905 8.773 -3.385 196 HA ASP 25 HA ASP 25 -1.817 11.480 -3.237 197 HB2 ASP 25 HB2 ASP 25 -3.056 11.035 -5.510 198 HB3 ASP 25 HB3 ASP 25 -4.519 10.991 -4.524 199 H ALA 26 H ALA 26 -3.328 12.892 -2.024 200 HA ALA 26 HA ALA 26 -4.333 11.554 0.366 201 HB1 ALA 26 HB1 ALA 26 -4.701 13.869 1.111 202 HB2 ALA 26 HB2 ALA 26 -3.066 13.705 0.436 203 HB3 ALA 26 HB3 ALA 26 -4.356 14.476 -0.519 204 H ASP 27 H ASP 27 -5.681 12.829 -2.671 205 HA ASP 27 HA ASP 27 -8.394 13.113 -1.663 206 HB2 ASP 27 HB2 ASP 27 -7.357 14.256 -3.703 207 HB3 ASP 27 HB3 ASP 27 -7.545 12.720 -4.552 208 H GLU 28 H GLU 28 -6.447 10.479 -2.996 209 HA GLU 28 HA GLU 28 -8.589 8.772 -3.699 210 HB2 GLU 28 HB2 GLU 28 -5.781 8.082 -2.739 211 HB3 GLU 28 HB3 GLU 28 -6.906 6.883 -3.383 212 HG2 GLU 28 HG2 GLU 28 -5.967 9.350 -4.868 213 HG3 GLU 28 HG3 GLU 28 -5.235 7.767 -5.046 214 H TYR 29 H TYR 29 -6.838 9.260 -0.813 215 HA TYR 29 HA TYR 29 -8.053 7.339 0.972 216 HB2 TYR 29 HB2 TYR 29 -5.751 8.444 1.073 217 HB3 TYR 29 HB3 TYR 29 -6.542 9.887 1.663 218 HD1 TYR 29 HD1 TYR 29 -5.427 6.469 2.492 219 HD2 TYR 29 HD2 TYR 29 -7.425 9.988 3.979 220 HE1 TYR 29 HE1 TYR 29 -5.025 5.702 4.803 221 HE2 TYR 29 HE2 TYR 29 -7.052 9.220 6.295 222 HH TYR 29 HH TYR 29 -5.351 6.154 7.117 223 H LEU 30 H LEU 30 -9.454 10.099 -0.373 224 HA LEU 30 HA LEU 30 -11.015 10.852 2.042 225 HB2 LEU 30 HB2 LEU 30 -10.175 12.738 0.889 226 HB3 LEU 30 HB3 LEU 30 -10.657 12.103 -0.680 227 HG LEU 30 HG LEU 30 -13.030 12.354 -0.154 228 HD11 LEU 30 HD11 LEU 30 -12.118 13.695 2.424 229 HD12 LEU 30 HD12 LEU 30 -12.870 12.101 2.343 230 HD13 LEU 30 HD13 LEU 30 -13.783 13.505 1.816 231 HD21 LEU 30 HD21 LEU 30 -11.362 14.844 0.292 232 HD22 LEU 30 HD22 LEU 30 -13.066 14.794 -0.239 233 HD23 LEU 30 HD23 LEU 30 -11.789 14.125 -1.274 234 H ARG 31 H ARG 31 -11.469 9.706 -1.321 235 HA ARG 31 HA ARG 31 -14.345 9.379 -0.930 236 HB2 ARG 31 HB2 ARG 31 -12.353 8.724 -3.114 237 HB3 ARG 31 HB3 ARG 31 -13.951 7.985 -3.183 238 HG2 ARG 31 HG2 ARG 31 -13.607 10.979 -2.843 239 HG3 ARG 31 HG3 ARG 31 -13.622 10.224 -4.436 240 HD2 ARG 31 HD2 ARG 31 -15.821 9.745 -4.419 241 HD3 ARG 31 HD3 ARG 31 -15.870 9.347 -2.710 242 HE ARG 31 HE ARG 31 -16.044 12.041 -3.929 243 HH11 ARG 31 HH11 ARG 31 -16.605 10.102 -1.041 244 HH12 ARG 31 HH12 ARG 31 -16.347 11.390 0.093 245 HH21 ARG 31 HH21 ARG 31 -15.984 13.760 -2.632 246 HH22 ARG 31 HH22 ARG 31 -16.248 13.722 -0.907 247 H GLU 32 H GLU 32 -11.543 7.256 -0.721 248 HA GLU 32 HA GLU 32 -13.134 5.105 0.544 249 HB2 GLU 32 HB2 GLU 32 -11.356 4.738 -1.923 250 HB3 GLU 32 HB3 GLU 32 -12.120 3.428 -1.047 251 HG2 GLU 32 HG2 GLU 32 -14.317 4.069 -1.893 252 HG3 GLU 32 HG3 GLU 32 -13.651 5.515 -2.643 253 H HIS 33 H HIS 33 -11.295 3.209 1.040 254 HA HIS 33 HA HIS 33 -8.627 4.288 1.305 255 HB2 HIS 33 HB2 HIS 33 -9.789 3.147 3.811 256 HB3 HIS 33 HB3 HIS 33 -8.219 3.872 3.503 257 HD1 HIS 33 HD1 HIS 33 -8.020 6.198 4.698 258 HD2 HIS 33 HD2 HIS 33 -11.903 5.228 3.396 259 HE1 HIS 33 HE1 HIS 33 -9.564 7.924 5.706 260 H ILE 34 H ILE 34 -7.155 2.500 1.658 261 HA ILE 34 HA ILE 34 -8.198 -0.002 0.542 262 HB ILE 34 HB ILE 34 -6.077 1.848 0.180 263 HG12 ILE 34 HG12 ILE 34 -6.580 -0.710 -1.067 264 HG13 ILE 34 HG13 ILE 34 -6.294 0.890 -1.688 265 HG21 ILE 34 HG21 ILE 34 -5.227 1.215 2.368 266 HG22 ILE 34 HG22 ILE 34 -4.657 -0.297 1.718 267 HG23 ILE 34 HG23 ILE 34 -4.067 1.211 0.999 268 HD11 ILE 34 HD11 ILE 34 -3.834 0.597 -1.234 269 HD12 ILE 34 HD12 ILE 34 -4.201 -1.107 -0.846 270 HD13 ILE 34 HD13 ILE 34 -4.541 -0.482 -2.456 271 HA PRO 35 HA PRO 35 -7.225 -2.717 4.023 272 HB2 PRO 35 HB2 PRO 35 -5.443 -4.612 3.134 273 HB3 PRO 35 HB3 PRO 35 -7.156 -4.529 2.742 274 HG2 PRO 35 HG2 PRO 35 -4.875 -3.859 0.915 275 HG3 PRO 35 HG3 PRO 35 -6.417 -4.397 0.527 276 HD2 PRO 35 HD2 PRO 35 -5.592 -1.809 0.497 277 HD3 PRO 35 HD3 PRO 35 -7.300 -2.323 0.354 278 H GLU 36 H GLU 36 -6.341 -1.397 5.470 279 HA GLU 36 HA GLU 36 -4.956 -0.671 7.072 280 HB2 GLU 36 HB2 GLU 36 -3.876 -3.227 6.205 281 HB3 GLU 36 HB3 GLU 36 -2.572 -2.212 6.720 282 HG2 GLU 36 HG2 GLU 36 -3.211 -3.382 8.636 283 HG3 GLU 36 HG3 GLU 36 -3.888 -1.777 8.874 284 H ALA 37 H ALA 37 -4.054 0.268 3.981 285 HA ALA 37 HA ALA 37 -1.395 1.123 4.624 286 HB1 ALA 37 HB1 ALA 37 -2.284 0.994 2.274 287 HB2 ALA 37 HB2 ALA 37 -3.174 2.493 2.618 288 HB3 ALA 37 HB3 ALA 37 -1.401 2.472 2.642 289 H ASP 38 H ASP 38 -0.572 3.244 4.703 290 HA ASP 38 HA ASP 38 -2.193 5.253 6.199 291 HB2 ASP 38 HB2 ASP 38 -0.506 3.978 7.541 292 HB3 ASP 38 HB3 ASP 38 0.717 4.483 6.401 293 H LEU 39 H LEU 39 -2.163 7.236 5.321 294 HA LEU 39 HA LEU 39 -1.383 7.710 2.668 295 HB2 LEU 39 HB2 LEU 39 -3.301 8.766 3.701 296 HB3 LEU 39 HB3 LEU 39 -2.289 9.564 4.898 297 HG LEU 39 HG LEU 39 -1.221 10.925 3.114 298 HD11 LEU 39 HD11 LEU 39 -2.170 10.948 0.853 299 HD12 LEU 39 HD12 LEU 39 -3.270 9.606 1.272 300 HD13 LEU 39 HD13 LEU 39 -1.510 9.357 1.230 301 HD21 LEU 39 HD21 LEU 39 -3.197 11.767 4.339 302 HD22 LEU 39 HD22 LEU 39 -4.268 11.064 3.113 303 HD23 LEU 39 HD23 LEU 39 -3.139 12.374 2.682 304 H ALA 40 H ALA 40 0.663 7.863 1.951 305 HA ALA 40 HA ALA 40 2.499 9.953 2.861 306 HB1 ALA 40 HB1 ALA 40 3.251 7.010 2.963 307 HB2 ALA 40 HB2 ALA 40 4.366 8.385 3.126 308 HB3 ALA 40 HB3 ALA 40 3.124 8.102 4.361 309 HA PRO 41 HA PRO 41 1.772 9.019 -1.628 310 HB2 PRO 41 HB2 PRO 41 1.821 11.642 -2.527 311 HB3 PRO 41 HB3 PRO 41 0.374 10.739 -2.004 312 HG2 PRO 41 HG2 PRO 41 2.015 12.710 -0.437 313 HG3 PRO 41 HG3 PRO 41 0.239 12.524 -0.487 314 HD2 PRO 41 HD2 PRO 41 1.752 11.514 1.555 315 HD3 PRO 41 HD3 PRO 41 0.283 10.693 0.975 316 H LEU 42 H LEU 42 3.165 9.416 -3.481 317 HA LEU 42 HA LEU 42 5.859 8.934 -3.064 318 HB2 LEU 42 HB2 LEU 42 4.771 8.506 -5.196 319 HB3 LEU 42 HB3 LEU 42 4.464 10.231 -5.436 320 HG LEU 42 HG LEU 42 6.912 10.652 -5.633 321 HD11 LEU 42 HD11 LEU 42 8.471 8.786 -5.979 322 HD12 LEU 42 HD12 LEU 42 7.184 7.624 -5.610 323 HD13 LEU 42 HD13 LEU 42 7.806 8.724 -4.346 324 HD21 LEU 42 HD21 LEU 42 5.860 8.491 -7.502 325 HD22 LEU 42 HD22 LEU 42 7.193 9.621 -7.826 326 HD23 LEU 42 HD23 LEU 42 5.534 10.237 -7.621 327 H SER 43 H SER 43 4.269 12.129 -3.399 328 HA SER 43 HA SER 43 6.442 13.789 -3.665 329 HB2 SER 43 HB2 SER 43 4.021 14.330 -1.895 330 HB3 SER 43 HB3 SER 43 4.965 15.500 -2.833 331 HG SER 43 HG SER 43 2.931 14.853 -3.792 332 H VAL 44 H VAL 44 5.123 12.376 -0.616 333 HA VAL 44 HA VAL 44 6.940 13.658 1.169 334 HB VAL 44 HB VAL 44 5.357 11.066 1.544 335 HG11 VAL 44 HG11 VAL 44 7.028 11.403 3.296 336 HG12 VAL 44 HG12 VAL 44 6.478 13.076 3.535 337 HG13 VAL 44 HG13 VAL 44 5.416 11.712 3.941 338 HG21 VAL 44 HG21 VAL 44 3.822 12.838 0.842 339 HG22 VAL 44 HG22 VAL 44 3.611 12.483 2.555 340 HG23 VAL 44 HG23 VAL 44 4.518 13.933 2.059 341 H LEU 45 H LEU 45 6.802 10.399 -0.277 342 HA LEU 45 HA LEU 45 9.101 9.302 0.987 343 HB2 LEU 45 HB2 LEU 45 7.901 8.722 -1.746 344 HB3 LEU 45 HB3 LEU 45 9.182 7.801 -1.067 345 HG LEU 45 HG LEU 45 6.565 7.194 -0.870 346 HD11 LEU 45 HD11 LEU 45 8.802 6.408 1.029 347 HD12 LEU 45 HD12 LEU 45 8.353 5.627 -0.515 348 HD13 LEU 45 HD13 LEU 45 7.272 5.525 0.882 349 HD21 LEU 45 HD21 LEU 45 5.895 8.845 0.790 350 HD22 LEU 45 HD22 LEU 45 7.186 8.298 1.901 351 HD23 LEU 45 HD23 LEU 45 5.827 7.234 1.472 352 H GLU 46 H GLU 46 8.855 11.335 -1.955 353 HA GLU 46 HA GLU 46 11.607 11.107 -2.717 354 HB2 GLU 46 HB2 GLU 46 9.228 12.889 -3.350 355 HB3 GLU 46 HB3 GLU 46 10.801 13.207 -4.026 356 HG2 GLU 46 HG2 GLU 46 9.272 10.614 -4.420 357 HG3 GLU 46 HG3 GLU 46 9.219 11.971 -5.523 358 H GLN 47 H GLN 47 9.583 13.490 -0.931 359 HA GLN 47 HA GLN 47 11.570 15.499 -0.518 360 HB2 GLN 47 HB2 GLN 47 8.923 14.763 0.772 361 HB3 GLN 47 HB3 GLN 47 9.883 16.052 1.441 362 HG2 GLN 47 HG2 GLN 47 9.448 16.227 -1.496 363 HG3 GLN 47 HG3 GLN 47 8.011 16.416 -0.491 364 HE21 GLN 47 HE21 GLN 47 7.612 18.623 -0.535 365 HE22 GLN 47 HE22 GLN 47 8.823 19.828 -0.148 366 H SER 48 H SER 48 10.691 12.615 1.391 367 HA SER 48 HA SER 48 13.056 13.175 3.131 368 HB2 SER 48 HB2 SER 48 10.994 14.073 4.221 369 HB3 SER 48 HB3 SER 48 10.305 12.446 4.206 370 HG SER 48 HG SER 48 12.474 13.520 5.635 371 H GLY 49 H GLY 49 10.393 10.689 2.878 372 HA2 GLY 49 HA2 GLY 49 11.424 8.572 1.748 373 HA3 GLY 49 HA3 GLY 49 12.469 8.626 3.175 374 H LEU 50 H LEU 50 11.554 6.549 3.561 375 HA LEU 50 HA LEU 50 8.831 6.070 4.176 376 HB2 LEU 50 HB2 LEU 50 10.799 4.491 3.521 377 HB3 LEU 50 HB3 LEU 50 11.217 4.487 5.216 378 HG LEU 50 HG LEU 50 9.930 2.548 4.551 379 HD11 LEU 50 HD11 LEU 50 9.637 3.417 6.873 380 HD12 LEU 50 HD12 LEU 50 8.342 2.406 6.226 381 HD13 LEU 50 HD13 LEU 50 8.100 4.149 6.343 382 HD21 LEU 50 HD21 LEU 50 7.538 4.329 3.937 383 HD22 LEU 50 HD22 LEU 50 7.692 2.585 3.744 384 HD23 LEU 50 HD23 LEU 50 8.636 3.665 2.712 385 HA PRO 51 HA PRO 51 9.110 8.084 8.235 386 HB2 PRO 51 HB2 PRO 51 6.572 7.556 9.150 387 HB3 PRO 51 HB3 PRO 51 6.965 8.884 7.991 388 HG2 PRO 51 HG2 PRO 51 5.902 6.109 7.439 389 HG3 PRO 51 HG3 PRO 51 5.341 7.658 6.726 390 HD2 PRO 51 HD2 PRO 51 7.035 6.001 5.408 391 HD3 PRO 51 HD3 PRO 51 7.235 7.775 5.303 392 H ALA 52 H ALA 52 9.283 7.548 10.388 393 HA ALA 52 HA ALA 52 10.002 4.955 11.179 394 HB1 ALA 52 HB1 ALA 52 8.915 7.221 12.923 395 HB2 ALA 52 HB2 ALA 52 9.873 5.841 13.483 396 HB3 ALA 52 HB3 ALA 52 10.602 7.035 12.394 397 H LYS 53 H LYS 53 6.843 6.603 11.450 398 HA LYS 53 HA LYS 53 5.502 4.702 13.048 399 HB2 LYS 53 HB2 LYS 53 3.403 5.621 12.119 400 HB3 LYS 53 HB3 LYS 53 4.523 6.845 12.674 401 HG2 LYS 53 HG2 LYS 53 4.787 7.751 10.589 402 HG3 LYS 53 HG3 LYS 53 4.852 6.184 9.805 403 HD2 LYS 53 HD2 LYS 53 2.999 7.150 8.878 404 HD3 LYS 53 HD3 LYS 53 2.327 6.027 10.059 405 HE2 LYS 53 HE2 LYS 53 1.801 7.827 11.586 406 HE3 LYS 53 HE3 LYS 53 2.777 8.983 10.654 407 HZ1 LYS 53 HZ1 LYS 53 1.222 8.908 8.905 408 HZ2 LYS 53 HZ2 LYS 53 0.357 9.141 10.302 409 HZ3 LYS 53 HZ3 LYS 53 0.396 7.658 9.535 410 H LEU 54 H LEU 54 6.679 4.108 9.840 411 HA LEU 54 HA LEU 54 5.028 1.649 9.755 412 HB2 LEU 54 HB2 LEU 54 5.583 3.455 7.372 413 HB3 LEU 54 HB3 LEU 54 4.648 1.969 7.344 414 HG LEU 54 HG LEU 54 3.738 4.352 8.982 415 HD11 LEU 54 HD11 LEU 54 2.602 5.310 7.222 416 HD12 LEU 54 HD12 LEU 54 2.820 3.896 6.165 417 HD13 LEU 54 HD13 LEU 54 4.181 4.961 6.543 418 HD21 LEU 54 HD21 LEU 54 2.165 2.070 7.733 419 HD22 LEU 54 HD22 LEU 54 1.532 3.358 8.778 420 HD23 LEU 54 HD23 LEU 54 2.648 2.159 9.437 421 H ARG 55 H ARG 55 7.765 2.259 10.573 422 HA ARG 55 HA ARG 55 9.491 1.170 8.445 423 HB2 ARG 55 HB2 ARG 55 11.313 1.694 9.878 424 HB3 ARG 55 HB3 ARG 55 10.165 3.019 9.973 425 HG2 ARG 55 HG2 ARG 55 10.252 2.783 12.209 426 HG3 ARG 55 HG3 ARG 55 9.292 1.312 12.016 427 HD2 ARG 55 HD2 ARG 55 11.717 0.206 11.679 428 HD3 ARG 55 HD3 ARG 55 12.249 1.672 12.475 429 HE ARG 55 HE ARG 55 10.823 1.133 14.374 430 HH11 ARG 55 HH11 ARG 55 11.359 -1.640 12.127 431 HH12 ARG 55 HH12 ARG 55 10.717 -2.808 13.206 432 HH21 ARG 55 HH21 ARG 55 10.324 -0.488 15.900 433 HH22 ARG 55 HH22 ARG 55 10.586 -2.155 15.503 434 H HIS 56 H HIS 56 7.413 -0.550 10.197 435 HA HIS 56 HA HIS 56 8.814 -2.558 11.608 436 HB2 HIS 56 HB2 HIS 56 6.212 -2.073 11.164 437 HB3 HIS 56 HB3 HIS 56 6.440 -3.270 9.895 438 HD1 HIS 56 HD1 HIS 56 7.176 -3.127 13.758 439 HD2 HIS 56 HD2 HIS 56 5.655 -5.569 10.653 440 HE1 HIS 56 HE1 HIS 56 6.250 -5.203 14.847 441 H GLU 57 H GLU 57 9.794 -4.494 10.916 442 HA GLU 57 HA GLU 57 11.373 -4.541 8.712 443 HB2 GLU 57 HB2 GLU 57 11.500 -5.785 10.832 444 HB3 GLU 57 HB3 GLU 57 10.373 -6.987 10.205 445 HG2 GLU 57 HG2 GLU 57 11.933 -7.680 8.497 446 HG3 GLU 57 HG3 GLU 57 12.979 -6.293 8.797 447 H GLN 58 H GLN 58 8.000 -5.182 8.338 448 HA GLN 58 HA GLN 58 8.536 -6.158 5.604 449 HB2 GLN 58 HB2 GLN 58 6.548 -7.428 7.548 450 HB3 GLN 58 HB3 GLN 58 6.503 -7.611 5.800 451 HG2 GLN 58 HG2 GLN 58 9.035 -8.403 6.123 452 HG3 GLN 58 HG3 GLN 58 8.518 -8.724 7.764 453 HE21 GLN 58 HE21 GLN 58 9.327 -10.737 5.623 454 HE22 GLN 58 HE22 GLN 58 7.945 -11.749 5.400 455 H ILE 59 H ILE 59 7.690 -4.791 4.229 456 HA ILE 59 HA ILE 59 5.211 -3.416 4.974 457 HB ILE 59 HB ILE 59 5.836 -1.395 4.645 458 HG12 ILE 59 HG12 ILE 59 8.542 -1.346 3.573 459 HG13 ILE 59 HG13 ILE 59 7.423 -2.088 2.431 460 HG21 ILE 59 HG21 ILE 59 7.738 -0.735 5.941 461 HG22 ILE 59 HG22 ILE 59 7.103 -2.267 6.589 462 HG23 ILE 59 HG23 ILE 59 8.571 -2.270 5.625 463 HD11 ILE 59 HD11 ILE 59 6.138 -0.161 2.271 464 HD12 ILE 59 HD12 ILE 59 6.796 0.526 3.787 465 HD13 ILE 59 HD13 ILE 59 7.803 0.440 2.335 466 H ILE 60 H ILE 60 4.341 -2.393 2.961 467 HA ILE 60 HA ILE 60 4.913 -3.855 0.446 468 HB ILE 60 HB ILE 60 2.157 -3.661 1.739 469 HG12 ILE 60 HG12 ILE 60 4.123 -5.928 1.331 470 HG13 ILE 60 HG13 ILE 60 3.375 -5.425 2.815 471 HG21 ILE 60 HG21 ILE 60 2.920 -4.994 -0.908 472 HG22 ILE 60 HG22 ILE 60 1.298 -4.811 -0.211 473 HG23 ILE 60 HG23 ILE 60 2.119 -3.412 -0.806 474 HD11 ILE 60 HD11 ILE 60 2.453 -7.541 1.998 475 HD12 ILE 60 HD12 ILE 60 1.179 -6.304 2.048 476 HD13 ILE 60 HD13 ILE 60 1.957 -6.776 0.495 477 H PHE 61 H PHE 61 4.240 -2.677 -1.287 478 HA PHE 61 HA PHE 61 3.663 0.248 -0.848 479 HB2 PHE 61 HB2 PHE 61 5.713 -1.247 -2.484 480 HB3 PHE 61 HB3 PHE 61 5.039 0.215 -3.185 481 HD1 PHE 61 HD1 PHE 61 4.875 2.322 -1.521 482 HD2 PHE 61 HD2 PHE 61 7.591 -0.969 -1.135 483 HE1 PHE 61 HE1 PHE 61 6.400 3.728 -0.179 484 HE2 PHE 61 HE2 PHE 61 9.134 0.409 0.137 485 HZ PHE 61 HZ PHE 61 8.587 2.813 0.612 486 H HIS 62 H HIS 62 1.907 1.104 -1.987 487 HA HIS 62 HA HIS 62 1.500 0.175 -4.554 488 HB2 HIS 62 HB2 HIS 62 0.098 -1.435 -2.710 489 HB3 HIS 62 HB3 HIS 62 -1.119 -0.432 -3.465 490 HD1 HIS 62 HD1 HIS 62 1.651 -1.020 -5.934 491 HD2 HIS 62 HD2 HIS 62 -1.744 -3.079 -4.523 492 HE1 HIS 62 HE1 HIS 62 1.082 -2.710 -7.710 493 H CYS 63 H CYS 63 -0.587 0.902 -5.586 494 HA CYS 63 HA CYS 63 -1.056 3.719 -4.906 495 HB2 CYS 63 HB2 CYS 63 0.753 3.090 -6.716 496 HB3 CYS 63 HB3 CYS 63 -0.659 2.807 -7.762 497 HG CYS 63 HG CYS 63 -1.522 5.320 -7.694 498 H GLN 64 H GLN 64 -2.946 4.364 -6.784 499 HA GLN 64 HA GLN 64 -5.101 2.693 -6.000 500 HB2 GLN 64 HB2 GLN 64 -5.046 5.242 -6.376 501 HB3 GLN 64 HB3 GLN 64 -5.402 4.858 -8.067 502 HG2 GLN 64 HG2 GLN 64 -7.111 3.314 -6.203 503 HG3 GLN 64 HG3 GLN 64 -7.191 5.014 -5.848 504 HE21 GLN 64 HE21 GLN 64 -8.447 6.297 -7.137 505 HE22 GLN 64 HE22 GLN 64 -9.228 5.821 -8.622 506 H ALA 65 H ALA 65 -4.277 3.418 -9.516 507 HA ALA 65 HA ALA 65 -4.788 0.529 -10.070 508 HB1 ALA 65 HB1 ALA 65 -6.969 1.641 -10.130 509 HB2 ALA 65 HB2 ALA 65 -6.347 2.823 -11.308 510 HB3 ALA 65 HB3 ALA 65 -6.476 1.114 -11.748 511 H GLY 66 H GLY 66 -2.347 2.172 -10.261 512 HA2 GLY 66 HA2 GLY 66 -1.952 2.093 -13.252 513 HA3 GLY 66 HA3 GLY 66 -1.338 3.412 -12.249 514 H LYS 67 H LYS 67 -0.528 0.699 -13.799 515 HA LYS 67 HA LYS 67 1.271 -0.732 -12.140 516 HB2 LYS 67 HB2 LYS 67 2.185 -1.695 -14.187 517 HB3 LYS 67 HB3 LYS 67 0.438 -1.720 -14.141 518 HG2 LYS 67 HG2 LYS 67 0.308 -0.690 -16.111 519 HG3 LYS 67 HG3 LYS 67 1.205 0.700 -15.489 520 HD2 LYS 67 HD2 LYS 67 3.329 -0.307 -16.178 521 HD3 LYS 67 HD3 LYS 67 2.506 -1.805 -16.612 522 HE2 LYS 67 HE2 LYS 67 3.025 -0.472 -18.597 523 HE3 LYS 67 HE3 LYS 67 1.284 -0.717 -18.401 524 HZ1 LYS 67 HZ1 LYS 67 1.849 1.542 -19.052 525 HZ2 LYS 67 HZ2 LYS 67 2.750 1.758 -17.703 526 HZ3 LYS 67 HZ3 LYS 67 1.101 1.537 -17.594 527 H ARG 68 H ARG 68 2.143 1.443 -11.166 528 HA ARG 68 HA ARG 68 4.781 2.013 -12.452 529 HB2 ARG 68 HB2 ARG 68 4.662 4.258 -11.306 530 HB3 ARG 68 HB3 ARG 68 3.723 4.023 -12.761 531 HG2 ARG 68 HG2 ARG 68 1.710 4.290 -11.739 532 HG3 ARG 68 HG3 ARG 68 2.214 3.533 -10.235 533 HD2 ARG 68 HD2 ARG 68 1.717 5.997 -10.054 534 HD3 ARG 68 HD3 ARG 68 3.304 5.488 -9.454 535 HE ARG 68 HE ARG 68 3.442 6.294 -12.203 536 HH11 ARG 68 HH11 ARG 68 3.078 7.739 -8.967 537 HH12 ARG 68 HH12 ARG 68 3.963 9.178 -9.380 538 HH21 ARG 68 HH21 ARG 68 5.148 7.945 -12.477 539 HH22 ARG 68 HH22 ARG 68 5.298 9.142 -11.261 540 H THR 69 H THR 69 3.505 0.243 -9.948 541 HA THR 69 HA THR 69 5.318 1.160 -7.891 542 HB THR 69 HB THR 69 4.532 -1.536 -7.419 543 HG1 THR 69 HG1 THR 69 2.404 0.070 -8.373 544 HG21 THR 69 HG21 THR 69 3.257 0.993 -6.300 545 HG22 THR 69 HG22 THR 69 4.842 0.342 -5.768 546 HG23 THR 69 HG23 THR 69 3.385 -0.612 -5.553 547 H SER 70 H SER 70 5.198 -2.100 -9.551 548 HA SER 70 HA SER 70 7.784 -2.796 -8.971 549 HB2 SER 70 HB2 SER 70 5.888 -4.105 -10.172 550 HB3 SER 70 HB3 SER 70 6.642 -3.515 -11.668 551 HG SER 70 HG SER 70 7.939 -5.126 -11.362 552 H ASN 71 H ASN 71 6.709 -0.906 -11.758 553 HA ASN 71 HA ASN 71 9.255 -0.752 -13.001 554 HB2 ASN 71 HB2 ASN 71 6.698 0.793 -13.339 555 HB3 ASN 71 HB3 ASN 71 8.171 1.370 -14.127 556 HD21 ASN 71 HD21 ASN 71 9.454 -0.234 -15.422 557 HD22 ASN 71 HD22 ASN 71 8.650 -1.639 -16.098 558 H ASN 72 H ASN 72 8.635 0.634 -10.065 559 HA ASN 72 HA ASN 72 11.026 2.331 -10.307 560 HB2 ASN 72 HB2 ASN 72 8.448 3.327 -9.040 561 HB3 ASN 72 HB3 ASN 72 9.986 4.164 -9.092 562 HD21 ASN 72 HD21 ASN 72 7.155 3.256 -10.926 563 HD22 ASN 72 HD22 ASN 72 7.503 4.181 -12.396 564 H ALA 73 H ALA 73 9.716 -0.297 -9.054 565 HA ALA 73 HA ALA 73 9.681 0.016 -6.258 566 HB1 ALA 73 HB1 ALA 73 9.840 -2.472 -6.247 567 HB2 ALA 73 HB2 ALA 73 8.564 -1.820 -7.265 568 HB3 ALA 73 HB3 ALA 73 10.080 -2.436 -8.001 569 H ASP 74 H ASP 74 12.403 -0.168 -8.402 570 HA ASP 74 HA ASP 74 14.290 -1.375 -6.627 571 HB2 ASP 74 HB2 ASP 74 14.441 -0.747 -9.169 572 HB3 ASP 74 HB3 ASP 74 15.027 0.809 -8.579 573 H LYS 75 H LYS 75 13.303 2.006 -7.182 574 HA LYS 75 HA LYS 75 14.915 3.218 -5.145 575 HB2 LYS 75 HB2 LYS 75 12.607 3.997 -6.912 576 HB3 LYS 75 HB3 LYS 75 12.637 4.838 -5.377 577 HG2 LYS 75 HG2 LYS 75 15.045 4.695 -7.207 578 HG3 LYS 75 HG3 LYS 75 13.831 5.973 -7.287 579 HD2 LYS 75 HD2 LYS 75 14.797 5.548 -4.520 580 HD3 LYS 75 HD3 LYS 75 16.101 5.905 -5.649 581 HE2 LYS 75 HE2 LYS 75 15.508 8.047 -4.977 582 HE3 LYS 75 HE3 LYS 75 14.643 7.864 -6.502 583 HZ1 LYS 75 HZ1 LYS 75 13.139 8.787 -4.983 584 HZ2 LYS 75 HZ2 LYS 75 13.526 7.785 -3.773 585 HZ3 LYS 75 HZ3 LYS 75 12.670 7.234 -5.093 586 H LEU 76 H LEU 76 11.516 2.267 -5.231 587 HA LEU 76 HA LEU 76 10.788 2.931 -2.574 588 HB2 LEU 76 HB2 LEU 76 9.687 0.625 -4.182 589 HB3 LEU 76 HB3 LEU 76 8.922 1.377 -2.789 590 HG LEU 76 HG LEU 76 9.406 2.769 -5.442 591 HD11 LEU 76 HD11 LEU 76 6.984 2.614 -5.742 592 HD12 LEU 76 HD12 LEU 76 6.834 1.714 -4.210 593 HD13 LEU 76 HD13 LEU 76 7.688 0.998 -5.591 594 HD21 LEU 76 HD21 LEU 76 7.936 3.676 -2.931 595 HD22 LEU 76 HD22 LEU 76 7.880 4.485 -4.514 596 HD23 LEU 76 HD23 LEU 76 9.406 4.400 -3.634 597 H ALA 77 H ALA 77 12.367 -0.016 -3.788 598 HA ALA 77 HA ALA 77 12.200 -1.579 -1.425 599 HB1 ALA 77 HB1 ALA 77 12.889 -2.558 -3.591 600 HB2 ALA 77 HB2 ALA 77 14.377 -1.607 -3.578 601 HB3 ALA 77 HB3 ALA 77 14.099 -2.847 -2.342 602 H ALA 78 H ALA 78 14.892 0.408 -2.738 603 HA ALA 78 HA ALA 78 16.600 0.326 -0.512 604 HB1 ALA 78 HB1 ALA 78 17.594 2.396 -1.482 605 HB2 ALA 78 HB2 ALA 78 17.299 1.170 -2.731 606 HB3 ALA 78 HB3 ALA 78 16.211 2.559 -2.567 607 H ILE 79 H ILE 79 14.012 2.631 -1.233 608 HA ILE 79 HA ILE 79 14.331 4.466 0.835 609 HB ILE 79 HB ILE 79 12.118 3.480 -0.894 610 HG12 ILE 79 HG12 ILE 79 13.254 6.250 -0.340 611 HG13 ILE 79 HG13 ILE 79 13.802 5.145 -1.605 612 HG21 ILE 79 HG21 ILE 79 10.853 3.724 1.180 613 HG22 ILE 79 HG22 ILE 79 11.456 5.400 1.348 614 HG23 ILE 79 HG23 ILE 79 10.420 4.905 -0.016 615 HD11 ILE 79 HD11 ILE 79 12.346 6.598 -2.707 616 HD12 ILE 79 HD12 ILE 79 11.357 5.163 -2.460 617 HD13 ILE 79 HD13 ILE 79 11.142 6.591 -1.408 618 H ALA 80 H ALA 80 12.376 1.400 0.964 619 HA ALA 80 HA ALA 80 12.036 1.840 3.875 620 HB1 ALA 80 HB1 ALA 80 10.751 -0.012 1.897 621 HB2 ALA 80 HB2 ALA 80 10.321 0.139 3.632 622 HB3 ALA 80 HB3 ALA 80 10.085 1.495 2.511 623 H ALA 81 H ALA 81 14.325 0.268 1.995 624 HA ALA 81 HA ALA 81 14.640 -2.253 3.212 625 HB1 ALA 81 HB1 ALA 81 16.695 -0.286 2.053 626 HB2 ALA 81 HB2 ALA 81 17.033 -1.982 2.372 627 HB3 ALA 81 HB3 ALA 81 15.837 -1.556 1.156 628 HA PRO 82 HA PRO 82 16.821 -3.434 3.877 629 HB2 PRO 82 HB2 PRO 82 17.523 -4.947 5.973 630 HB3 PRO 82 HB3 PRO 82 18.559 -3.650 5.351 631 HG2 PRO 82 HG2 PRO 82 16.655 -3.512 7.693 632 HG3 PRO 82 HG3 PRO 82 18.361 -3.004 7.636 633 HD2 PRO 82 HD2 PRO 82 16.299 -1.239 7.266 634 HD3 PRO 82 HD3 PRO 82 17.853 -1.072 6.404 635 H ALA 83 H ALA 83 13.971 -2.587 5.375 636 HA ALA 83 HA ALA 83 12.869 -5.095 6.172 637 HB1 ALA 83 HB1 ALA 83 11.502 -2.635 4.988 638 HB2 ALA 83 HB2 ALA 83 10.697 -3.919 5.853 639 HB3 ALA 83 HB3 ALA 83 11.850 -2.878 6.719 640 H GLU 84 H GLU 84 11.241 -6.270 5.015 641 HA GLU 84 HA GLU 84 11.940 -6.881 2.210 642 HB2 GLU 84 HB2 GLU 84 9.993 -8.095 4.225 643 HB3 GLU 84 HB3 GLU 84 10.043 -8.604 2.545 644 HG2 GLU 84 HG2 GLU 84 12.404 -8.771 4.470 645 HG3 GLU 84 HG3 GLU 84 11.335 -10.110 4.006 646 H ILE 85 H ILE 85 10.902 -5.909 0.517 647 HA ILE 85 HA ILE 85 8.342 -4.487 1.049 648 HB ILE 85 HB ILE 85 10.828 -3.832 -0.502 649 HG12 ILE 85 HG12 ILE 85 10.618 -1.699 0.379 650 HG13 ILE 85 HG13 ILE 85 8.903 -1.882 0.752 651 HG21 ILE 85 HG21 ILE 85 8.075 -2.973 -1.402 652 HG22 ILE 85 HG22 ILE 85 9.582 -2.088 -1.814 653 HG23 ILE 85 HG23 ILE 85 9.324 -3.753 -2.349 654 HD11 ILE 85 HD11 ILE 85 9.339 -3.272 2.635 655 HD12 ILE 85 HD12 ILE 85 11.053 -3.466 2.159 656 HD13 ILE 85 HD13 ILE 85 10.483 -1.946 2.773 657 H PHE 86 H PHE 86 6.611 -5.102 0.069 658 HA PHE 86 HA PHE 86 6.858 -6.732 -2.393 659 HB2 PHE 86 HB2 PHE 86 4.617 -7.017 -0.355 660 HB3 PHE 86 HB3 PHE 86 4.944 -8.014 -1.723 661 HD1 PHE 86 HD1 PHE 86 6.451 -7.046 1.598 662 HD2 PHE 86 HD2 PHE 86 6.024 -10.069 -1.449 663 HE1 PHE 86 HE1 PHE 86 7.675 -8.632 3.015 664 HE2 PHE 86 HE2 PHE 86 7.258 -11.669 -0.024 665 HZ PHE 86 HZ PHE 86 8.111 -10.958 2.204 666 H LEU 87 H LEU 87 4.774 -6.929 -3.550 667 HA LEU 87 HA LEU 87 3.490 -4.263 -3.936 668 HB2 LEU 87 HB2 LEU 87 4.179 -6.301 -6.088 669 HB3 LEU 87 HB3 LEU 87 3.477 -4.709 -6.327 670 HG LEU 87 HG LEU 87 6.321 -5.324 -5.369 671 HD11 LEU 87 HD11 LEU 87 5.306 -4.099 -7.949 672 HD12 LEU 87 HD12 LEU 87 5.837 -5.785 -7.760 673 HD13 LEU 87 HD13 LEU 87 7.000 -4.475 -7.525 674 HD21 LEU 87 HD21 LEU 87 5.791 -3.249 -4.329 675 HD22 LEU 87 HD22 LEU 87 4.827 -2.698 -5.692 676 HD23 LEU 87 HD23 LEU 87 6.602 -2.786 -5.834 677 H LEU 88 H LEU 88 1.406 -4.510 -3.396 678 HA LEU 88 HA LEU 88 0.216 -7.051 -2.907 679 HB2 LEU 88 HB2 LEU 88 -0.242 -4.313 -2.229 680 HB3 LEU 88 HB3 LEU 88 -1.706 -4.845 -3.049 681 HG LEU 88 HG LEU 88 -0.391 -6.296 -0.705 682 HD11 LEU 88 HD11 LEU 88 -1.321 -4.174 -0.013 683 HD12 LEU 88 HD12 LEU 88 -2.374 -5.470 0.564 684 HD13 LEU 88 HD13 LEU 88 -2.853 -4.506 -0.837 685 HD21 LEU 88 HD21 LEU 88 -2.932 -6.847 -2.250 686 HD22 LEU 88 HD22 LEU 88 -2.645 -7.446 -0.630 687 HD23 LEU 88 HD23 LEU 88 -1.589 -7.941 -1.960 688 H GLU 89 H GLU 89 0.523 -5.510 -5.815 689 HA GLU 89 HA GLU 89 -0.163 -5.780 -7.878 690 HB2 GLU 89 HB2 GLU 89 0.107 -8.158 -7.438 691 HB3 GLU 89 HB3 GLU 89 -1.574 -8.274 -6.904 692 HG2 GLU 89 HG2 GLU 89 -2.453 -7.938 -9.054 693 HG3 GLU 89 HG3 GLU 89 -0.981 -7.146 -9.623 694 H ASP 90 H ASP 90 -1.638 -5.046 -9.291 695 HA ASP 90 HA ASP 90 -3.315 -3.669 -9.980 696 HB2 ASP 90 HB2 ASP 90 -4.916 -5.865 -8.627 697 HB3 ASP 90 HB3 ASP 90 -5.584 -4.698 -9.764 698 H GLY 91 H GLY 91 -2.419 -3.142 -7.073 699 HA2 GLY 91 HA2 GLY 91 -2.779 -1.229 -5.794 700 HA3 GLY 91 HA3 GLY 91 -3.762 -0.612 -7.119 701 H ILE 92 H ILE 92 -5.559 -0.095 -6.333 702 HA ILE 92 HA ILE 92 -6.758 -1.476 -4.011 703 HB ILE 92 HB ILE 92 -6.865 1.050 -4.418 704 HG12 ILE 92 HG12 ILE 92 -9.479 -0.247 -3.620 705 HG13 ILE 92 HG13 ILE 92 -8.035 -0.449 -2.675 706 HG21 ILE 92 HG21 ILE 92 -7.856 1.040 -6.700 707 HG22 ILE 92 HG22 ILE 92 -9.340 0.330 -6.046 708 HG23 ILE 92 HG23 ILE 92 -8.848 1.944 -5.536 709 HD11 ILE 92 HD11 ILE 92 -9.618 2.062 -3.133 710 HD12 ILE 92 HD12 ILE 92 -9.072 1.294 -1.619 711 HD13 ILE 92 HD13 ILE 92 -7.909 2.157 -2.640 712 H ASP 93 H ASP 93 -6.920 -1.738 -7.419 713 HA ASP 93 HA ASP 93 -9.561 -2.885 -7.547 714 HB2 ASP 93 HB2 ASP 93 -8.398 -1.928 -9.531 715 HB3 ASP 93 HB3 ASP 93 -7.224 -3.230 -9.454 716 H GLY 94 H GLY 94 -6.318 -4.094 -6.808 717 HA2 GLY 94 HA2 GLY 94 -6.949 -6.886 -6.967 718 HA3 GLY 94 HA3 GLY 94 -5.589 -6.170 -6.098 719 H TRP 95 H TRP 95 -6.913 -4.508 -4.231 720 HA TRP 95 HA TRP 95 -7.556 -6.101 -2.076 721 HB2 TRP 95 HB2 TRP 95 -7.134 -3.793 -1.795 722 HB3 TRP 95 HB3 TRP 95 -8.597 -3.340 -2.659 723 HD1 TRP 95 HD1 TRP 95 -10.164 -2.378 -0.952 724 HE1 TRP 95 HE1 TRP 95 -11.208 -3.222 1.279 725 HE3 TRP 95 HE3 TRP 95 -7.247 -6.474 -0.033 726 HZ2 TRP 95 HZ2 TRP 95 -10.382 -4.874 3.472 727 HZ3 TRP 95 HZ3 TRP 95 -7.319 -7.604 2.182 728 HH2 TRP 95 HH2 TRP 95 -8.848 -6.802 3.949 729 H LYS 96 H LYS 96 -9.902 -4.356 -4.182 730 HA LYS 96 HA LYS 96 -12.178 -5.836 -3.232 731 HB2 LYS 96 HB2 LYS 96 -12.372 -3.535 -3.801 732 HB3 LYS 96 HB3 LYS 96 -11.861 -3.827 -5.483 733 HG2 LYS 96 HG2 LYS 96 -13.850 -5.032 -5.956 734 HG3 LYS 96 HG3 LYS 96 -14.349 -5.072 -4.243 735 HD2 LYS 96 HD2 LYS 96 -14.641 -2.591 -4.340 736 HD3 LYS 96 HD3 LYS 96 -14.232 -2.628 -6.063 737 HE2 LYS 96 HE2 LYS 96 -16.603 -4.005 -4.700 738 HE3 LYS 96 HE3 LYS 96 -16.665 -2.604 -5.781 739 HZ1 LYS 96 HZ1 LYS 96 -15.742 -4.086 -7.531 740 HZ2 LYS 96 HZ2 LYS 96 -17.237 -4.538 -7.011 741 HZ3 LYS 96 HZ3 LYS 96 -15.904 -5.372 -6.546 742 H LYS 97 H LYS 97 -9.862 -6.733 -5.705 743 HA LYS 97 HA LYS 97 -11.662 -8.170 -7.421 744 HB2 LYS 97 HB2 LYS 97 -9.393 -7.763 -8.118 745 HB3 LYS 97 HB3 LYS 97 -8.715 -8.642 -6.754 746 HG2 LYS 97 HG2 LYS 97 -10.528 -10.094 -8.683 747 HG3 LYS 97 HG3 LYS 97 -8.868 -9.709 -9.154 748 HD2 LYS 97 HD2 LYS 97 -7.991 -10.922 -7.162 749 HD3 LYS 97 HD3 LYS 97 -9.641 -11.321 -6.690 750 HE2 LYS 97 HE2 LYS 97 -8.914 -13.236 -7.780 751 HE3 LYS 97 HE3 LYS 97 -9.938 -12.424 -8.959 752 HZ1 LYS 97 HZ1 LYS 97 -7.945 -13.174 -10.007 753 HZ2 LYS 97 HZ2 LYS 97 -6.977 -12.435 -8.901 754 HZ3 LYS 97 HZ3 LYS 97 -7.848 -11.543 -9.970 755 H ALA 98 H ALA 98 -9.930 -9.004 -4.414 756 HA ALA 98 HA ALA 98 -11.131 -11.615 -4.145 757 HB1 ALA 98 HB1 ALA 98 -9.906 -11.411 -1.906 758 HB2 ALA 98 HB2 ALA 98 -8.921 -11.235 -3.375 759 HB3 ALA 98 HB3 ALA 98 -9.379 -9.798 -2.455 760 H GLY 99 H GLY 99 -12.923 -9.071 -4.297 761 HA2 GLY 99 HA2 GLY 99 -14.854 -8.334 -3.476 762 HA3 GLY 99 HA3 GLY 99 -14.976 -9.887 -2.652 763 H LEU 100 H LEU 100 -12.209 -7.903 -1.568 764 HA LEU 100 HA LEU 100 -13.591 -7.596 0.975 765 HB2 LEU 100 HB2 LEU 100 -10.751 -7.068 0.091 766 HB3 LEU 100 HB3 LEU 100 -11.387 -6.851 1.717 767 HG LEU 100 HG LEU 100 -11.990 -9.552 0.717 768 HD11 LEU 100 HD11 LEU 100 -9.889 -9.107 -0.509 769 HD12 LEU 100 HD12 LEU 100 -9.717 -10.445 0.664 770 HD13 LEU 100 HD13 LEU 100 -9.088 -8.818 1.043 771 HD21 LEU 100 HD21 LEU 100 -12.115 -8.854 3.110 772 HD22 LEU 100 HD22 LEU 100 -10.370 -8.537 3.102 773 HD23 LEU 100 HD23 LEU 100 -10.973 -10.190 2.883 774 HA PRO 101 HA PRO 101 -14.459 -3.468 -0.607 775 HB2 PRO 101 HB2 PRO 101 -15.973 -2.491 1.398 776 HB3 PRO 101 HB3 PRO 101 -16.543 -3.858 0.385 777 HG2 PRO 101 HG2 PRO 101 -15.294 -3.981 3.141 778 HG3 PRO 101 HG3 PRO 101 -16.737 -4.842 2.514 779 HD2 PRO 101 HD2 PRO 101 -14.164 -5.908 2.618 780 HD3 PRO 101 HD3 PRO 101 -15.407 -6.468 1.469 781 H VAL 102 H VAL 102 -13.784 -1.247 -0.245 782 HA VAL 102 HA VAL 102 -11.465 -0.777 1.261 783 HB VAL 102 HB VAL 102 -12.128 1.534 0.174 784 HG11 VAL 102 HG11 VAL 102 -10.518 -0.119 -0.810 785 HG12 VAL 102 HG12 VAL 102 -11.851 -0.889 -1.685 786 HG13 VAL 102 HG13 VAL 102 -11.414 0.784 -2.053 787 HG21 VAL 102 HG21 VAL 102 -13.753 1.685 -1.503 788 HG22 VAL 102 HG22 VAL 102 -14.054 -0.041 -1.541 789 HG23 VAL 102 HG23 VAL 102 -14.603 0.919 -0.149 790 H ALA 103 H ALA 103 -11.367 0.915 2.943 791 HA ALA 103 HA ALA 103 -13.708 0.704 4.709 792 HB1 ALA 103 HB1 ALA 103 -12.454 1.880 6.348 793 HB2 ALA 103 HB2 ALA 103 -11.375 0.706 5.553 794 HB3 ALA 103 HB3 ALA 103 -11.286 2.442 5.153 795 H VAL 104 H VAL 104 -15.120 1.749 2.926 796 HA VAL 104 HA VAL 104 -15.008 4.668 2.770 797 HB VAL 104 HB VAL 104 -17.294 4.312 1.625 798 HG11 VAL 104 HG11 VAL 104 -15.370 4.705 0.313 799 HG12 VAL 104 HG12 VAL 104 -14.744 3.063 0.546 800 HG13 VAL 104 HG13 VAL 104 -16.206 3.348 -0.437 801 HG21 VAL 104 HG21 VAL 104 -17.828 2.067 2.580 802 HG22 VAL 104 HG22 VAL 104 -17.886 2.125 0.816 803 HG23 VAL 104 HG23 VAL 104 -16.512 1.361 1.616 804 H ASN 105 H ASN 105 -16.490 6.130 3.645 805 HA ASN 105 HA ASN 105 -17.443 5.543 6.329 806 HB2 ASN 105 HB2 ASN 105 -17.972 7.889 4.432 807 HB3 ASN 105 HB3 ASN 105 -18.560 7.808 6.084 808 HD21 ASN 105 HD21 ASN 105 -16.600 7.158 7.724 809 HD22 ASN 105 HD22 ASN 105 -15.150 8.136 7.470 810 H LYS 106 H LYS 106 -18.881 5.923 3.107 811 HA LYS 106 HA LYS 106 -21.493 4.882 4.089 812 HB2 LYS 106 HB2 LYS 106 -20.850 7.337 2.724 813 HB3 LYS 106 HB3 LYS 106 -21.671 6.324 1.546 814 HG2 LYS 106 HG2 LYS 106 -22.726 6.907 4.340 815 HG3 LYS 106 HG3 LYS 106 -23.130 7.830 2.881 816 HD2 LYS 106 HD2 LYS 106 -24.151 5.876 1.838 817 HD3 LYS 106 HD3 LYS 106 -23.712 4.859 3.229 818 HE2 LYS 106 HE2 LYS 106 -25.112 6.135 4.716 819 HE3 LYS 106 HE3 LYS 106 -25.429 7.363 3.473 820 HZ1 LYS 106 HZ1 LYS 106 -27.188 5.666 3.832 821 HZ2 LYS 106 HZ2 LYS 106 -26.193 4.553 3.082 822 HZ3 LYS 106 HZ3 LYS 106 -26.722 5.861 2.267 823 H SER 107 H SER 107 -21.641 2.795 3.470 824 HA SER 107 HA SER 107 -20.104 1.801 1.172 825 HB2 SER 107 HB2 SER 107 -21.940 0.453 3.181 826 HB3 SER 107 HB3 SER 107 -21.050 -0.380 1.883 827 HG SER 107 HG SER 107 -20.145 0.391 4.273 828 H GLN 108 H GLN 108 -23.606 2.128 2.061 829 HA GLN 108 HA GLN 108 -24.360 2.390 -0.743 830 HB2 GLN 108 HB2 GLN 108 -26.252 0.761 -0.327 831 HB3 GLN 108 HB3 GLN 108 -24.677 0.032 -0.604 832 HG2 GLN 108 HG2 GLN 108 -24.504 -0.800 1.560 833 HG3 GLN 108 HG3 GLN 108 -25.485 0.493 2.253 834 HE21 GLN 108 HE21 GLN 108 -26.457 -1.637 -0.504 835 HE22 GLN 108 HE22 GLN 108 -27.995 -1.958 0.271 Start of MODEL 9 1 H ALA 1 H ALA 1 13.594 -6.982 -6.558 2 HA ALA 1 HA ALA 1 13.283 -9.213 -5.762 3 HB1 ALA 1 HB1 ALA 1 13.964 -9.845 -3.520 4 HB2 ALA 1 HB2 ALA 1 15.353 -9.143 -4.358 5 HB3 ALA 1 HB3 ALA 1 14.471 -8.181 -3.157 6 H LEU 2 H LEU 2 11.586 -6.651 -5.907 7 HA LEU 2 HA LEU 2 9.984 -6.860 -3.445 8 HB2 LEU 2 HB2 LEU 2 9.474 -5.157 -5.905 9 HB3 LEU 2 HB3 LEU 2 8.710 -5.056 -4.319 10 HG LEU 2 HG LEU 2 11.517 -4.294 -5.129 11 HD11 LEU 2 HD11 LEU 2 9.141 -2.814 -3.978 12 HD12 LEU 2 HD12 LEU 2 9.921 -2.601 -5.528 13 HD13 LEU 2 HD13 LEU 2 10.763 -2.101 -4.060 14 HD21 LEU 2 HD21 LEU 2 12.179 -5.261 -3.165 15 HD22 LEU 2 HD22 LEU 2 10.669 -4.960 -2.335 16 HD23 LEU 2 HD23 LEU 2 11.815 -3.630 -2.622 17 H THR 3 H THR 3 8.957 -8.844 -3.415 18 HA THR 3 HA THR 3 7.899 -10.058 -5.770 19 HB THR 3 HB THR 3 7.263 -10.641 -2.857 20 HG1 THR 3 HG1 THR 3 8.996 -11.937 -2.856 21 HG21 THR 3 HG21 THR 3 5.803 -11.892 -4.360 22 HG22 THR 3 HG22 THR 3 7.022 -12.971 -3.724 23 HG23 THR 3 HG23 THR 3 7.194 -12.366 -5.380 24 H THR 4 H THR 4 5.823 -10.295 -6.500 25 HA THR 4 HA THR 4 3.699 -8.436 -5.636 26 HB THR 4 HB THR 4 2.904 -9.342 -8.004 27 HG1 THR 4 HG1 THR 4 4.302 -10.838 -8.523 28 HG21 THR 4 HG21 THR 4 5.258 -7.448 -7.676 29 HG22 THR 4 HG22 THR 4 3.523 -7.052 -7.763 30 HG23 THR 4 HG23 THR 4 4.347 -7.674 -9.193 31 H ILE 5 H ILE 5 2.976 -9.593 -3.872 32 HA ILE 5 HA ILE 5 2.517 -12.503 -3.929 33 HB ILE 5 HB ILE 5 3.607 -11.601 -2.006 34 HG12 ILE 5 HG12 ILE 5 0.783 -12.159 -1.066 35 HG13 ILE 5 HG13 ILE 5 1.997 -13.377 -1.501 36 HG21 ILE 5 HG21 ILE 5 1.260 -9.742 -1.571 37 HG22 ILE 5 HG22 ILE 5 2.742 -9.809 -0.585 38 HG23 ILE 5 HG23 ILE 5 2.852 -9.222 -2.206 39 HD11 ILE 5 HD11 ILE 5 2.157 -13.135 0.867 40 HD12 ILE 5 HD12 ILE 5 3.540 -12.225 0.198 41 HD13 ILE 5 HD13 ILE 5 2.100 -11.367 0.757 42 H SER 6 H SER 6 0.300 -13.302 -3.152 43 HA SER 6 HA SER 6 -1.758 -12.177 -4.795 44 HB2 SER 6 HB2 SER 6 -1.867 -14.301 -2.601 45 HB3 SER 6 HB3 SER 6 -3.099 -14.019 -3.849 46 HG SER 6 HG SER 6 -1.978 -15.139 -5.165 47 HA PRO 7 HA PRO 7 -3.461 -9.274 -1.844 48 HB2 PRO 7 HB2 PRO 7 -6.166 -9.310 -2.579 49 HB3 PRO 7 HB3 PRO 7 -4.860 -8.338 -3.316 50 HG2 PRO 7 HG2 PRO 7 -6.057 -10.895 -4.298 51 HG3 PRO 7 HG3 PRO 7 -5.446 -9.521 -5.239 52 HD2 PRO 7 HD2 PRO 7 -4.046 -11.853 -4.894 53 HD3 PRO 7 HD3 PRO 7 -3.253 -10.273 -5.115 54 H HIS 8 H HIS 8 -4.805 -12.378 -2.123 55 HA HIS 8 HA HIS 8 -6.462 -12.687 0.171 56 HB2 HIS 8 HB2 HIS 8 -6.694 -14.441 -1.357 57 HB3 HIS 8 HB3 HIS 8 -4.976 -14.533 -1.696 58 HD1 HIS 8 HD1 HIS 8 -3.493 -16.181 -0.159 59 HD2 HIS 8 HD2 HIS 8 -7.595 -15.864 0.811 60 HE1 HIS 8 HE1 HIS 8 -3.963 -18.040 1.450 61 H ASP 9 H ASP 9 -3.086 -13.598 -0.396 62 HA ASP 9 HA ASP 9 -2.472 -14.351 2.307 63 HB2 ASP 9 HB2 ASP 9 -0.925 -13.847 -0.249 64 HB3 ASP 9 HB3 ASP 9 -0.035 -13.976 1.253 65 H ALA 10 H ALA 10 -2.230 -11.402 0.398 66 HA ALA 10 HA ALA 10 -0.790 -9.988 2.396 67 HB1 ALA 10 HB1 ALA 10 -2.594 -9.117 0.063 68 HB2 ALA 10 HB2 ALA 10 -1.513 -7.983 0.931 69 HB3 ALA 10 HB3 ALA 10 -0.845 -9.327 -0.041 70 H GLN 11 H GLN 11 -4.225 -10.400 1.913 71 HA GLN 11 HA GLN 11 -5.109 -8.377 3.718 72 HB2 GLN 11 HB2 GLN 11 -6.466 -9.584 2.077 73 HB3 GLN 11 HB3 GLN 11 -6.307 -11.092 2.982 74 HG2 GLN 11 HG2 GLN 11 -7.298 -8.849 4.588 75 HG3 GLN 11 HG3 GLN 11 -8.316 -9.172 3.207 76 HE21 GLN 11 HE21 GLN 11 -8.606 -11.870 2.916 77 HE22 GLN 11 HE22 GLN 11 -9.088 -12.559 4.450 78 H GLU 12 H GLU 12 -3.541 -11.445 4.320 79 HA GLU 12 HA GLU 12 -4.564 -11.810 7.008 80 HB2 GLU 12 HB2 GLU 12 -4.016 -13.712 5.525 81 HB3 GLU 12 HB3 GLU 12 -2.366 -13.113 5.329 82 HG2 GLU 12 HG2 GLU 12 -1.989 -13.347 7.758 83 HG3 GLU 12 HG3 GLU 12 -3.626 -14.024 7.859 84 H LEU 13 H LEU 13 -1.302 -11.357 5.673 85 HA LEU 13 HA LEU 13 0.009 -10.720 8.025 86 HB2 LEU 13 HB2 LEU 13 1.771 -9.803 6.504 87 HB3 LEU 13 HB3 LEU 13 1.211 -11.440 6.195 88 HG LEU 13 HG LEU 13 -0.359 -10.233 4.440 89 HD11 LEU 13 HD11 LEU 13 0.406 -7.911 4.927 90 HD12 LEU 13 HD12 LEU 13 0.658 -8.431 3.284 91 HD13 LEU 13 HD13 LEU 13 2.042 -8.394 4.423 92 HD21 LEU 13 HD21 LEU 13 2.547 -10.934 4.041 93 HD22 LEU 13 HD22 LEU 13 1.386 -10.639 2.728 94 HD23 LEU 13 HD23 LEU 13 1.133 -11.987 3.843 95 H ILE 14 H ILE 14 -1.748 -8.430 5.886 96 HA ILE 14 HA ILE 14 -0.772 -6.082 7.034 97 HB ILE 14 HB ILE 14 -2.648 -6.922 5.131 98 HG12 ILE 14 HG12 ILE 14 -2.380 -4.013 5.337 99 HG13 ILE 14 HG13 ILE 14 -0.879 -4.908 5.349 100 HG21 ILE 14 HG21 ILE 14 -4.565 -6.834 6.363 101 HG22 ILE 14 HG22 ILE 14 -4.186 -5.242 7.041 102 HG23 ILE 14 HG23 ILE 14 -4.579 -5.396 5.321 103 HD11 ILE 14 HD11 ILE 14 -1.503 -4.288 3.089 104 HD12 ILE 14 HD12 ILE 14 -1.445 -6.051 3.276 105 HD13 ILE 14 HD13 ILE 14 -3.018 -5.210 3.229 106 H ALA 15 H ALA 15 -3.602 -8.026 8.030 107 HA ALA 15 HA ALA 15 -4.202 -6.369 10.312 108 HB1 ALA 15 HB1 ALA 15 -5.927 -7.675 9.206 109 HB2 ALA 15 HB2 ALA 15 -5.060 -9.198 9.529 110 HB3 ALA 15 HB3 ALA 15 -5.747 -8.236 10.866 111 H ARG 16 H ARG 16 -1.614 -8.469 9.816 112 HA ARG 16 HA ARG 16 -1.459 -9.265 12.688 113 HB2 ARG 16 HB2 ARG 16 -0.101 -10.432 10.242 114 HB3 ARG 16 HB3 ARG 16 0.142 -10.930 11.914 115 HG2 ARG 16 HG2 ARG 16 -2.235 -11.529 12.140 116 HG3 ARG 16 HG3 ARG 16 -2.519 -11.058 10.462 117 HD2 ARG 16 HD2 ARG 16 -0.932 -12.798 9.694 118 HD3 ARG 16 HD3 ARG 16 -0.597 -13.235 11.372 119 HE ARG 16 HE ARG 16 -3.402 -13.345 10.484 120 HH11 ARG 16 HH11 ARG 16 -0.465 -15.270 11.205 121 HH12 ARG 16 HH12 ARG 16 -1.372 -16.745 11.374 122 HH21 ARG 16 HH21 ARG 16 -4.544 -15.378 10.820 123 HH22 ARG 16 HH22 ARG 16 -3.606 -16.791 11.181 124 H GLY 17 H GLY 17 -0.251 -6.825 10.693 125 HA2 GLY 17 HA2 GLY 17 1.162 -5.361 12.275 126 HA3 GLY 17 HA3 GLY 17 2.301 -6.702 12.244 127 H ALA 18 H ALA 18 1.546 -7.164 9.256 128 HA ALA 18 HA ALA 18 3.748 -5.737 8.171 129 HB1 ALA 18 HB1 ALA 18 1.410 -6.868 6.649 130 HB2 ALA 18 HB2 ALA 18 3.038 -6.532 6.034 131 HB3 ALA 18 HB3 ALA 18 2.805 -7.825 7.225 132 H LYS 19 H LYS 19 3.883 -3.806 7.035 133 HA LYS 19 HA LYS 19 1.510 -2.021 7.275 134 HB2 LYS 19 HB2 LYS 19 4.333 -1.678 7.875 135 HB3 LYS 19 HB3 LYS 19 3.819 -0.490 6.678 136 HG2 LYS 19 HG2 LYS 19 3.496 0.370 8.933 137 HG3 LYS 19 HG3 LYS 19 1.953 0.197 8.073 138 HD2 LYS 19 HD2 LYS 19 1.942 -2.160 9.438 139 HD3 LYS 19 HD3 LYS 19 3.019 -1.237 10.487 140 HE2 LYS 19 HE2 LYS 19 1.282 0.546 10.656 141 HE3 LYS 19 HE3 LYS 19 0.243 -0.354 9.536 142 HZ1 LYS 19 HZ1 LYS 19 -0.414 -0.677 11.751 143 HZ2 LYS 19 HZ2 LYS 19 1.069 -1.258 12.208 144 HZ3 LYS 19 HZ3 LYS 19 0.099 -2.117 11.150 145 H LEU 20 H LEU 20 0.897 -0.532 5.599 146 HA LEU 20 HA LEU 20 1.907 -1.216 2.913 147 HB2 LEU 20 HB2 LEU 20 -0.183 -2.391 3.155 148 HB3 LEU 20 HB3 LEU 20 -0.971 -0.974 3.819 149 HG LEU 20 HG LEU 20 -0.779 0.232 1.709 150 HD11 LEU 20 HD11 LEU 20 0.401 -2.259 0.476 151 HD12 LEU 20 HD12 LEU 20 1.308 -0.762 0.817 152 HD13 LEU 20 HD13 LEU 20 -0.008 -0.719 -0.309 153 HD21 LEU 20 HD21 LEU 20 -2.357 -1.130 0.431 154 HD22 LEU 20 HD22 LEU 20 -2.682 -1.370 2.167 155 HD23 LEU 20 HD23 LEU 20 -1.826 -2.606 1.269 156 H ILE 21 H ILE 21 2.408 0.619 1.739 157 HA ILE 21 HA ILE 21 1.909 3.226 3.090 158 HB ILE 21 HB ILE 21 4.011 2.586 1.002 159 HG12 ILE 21 HG12 ILE 21 4.574 1.120 2.831 160 HG13 ILE 21 HG13 ILE 21 5.692 2.472 2.789 161 HG21 ILE 21 HG21 ILE 21 3.429 4.979 1.340 162 HG22 ILE 21 HG22 ILE 21 3.793 4.818 3.059 163 HG23 ILE 21 HG23 ILE 21 5.090 4.630 1.860 164 HD11 ILE 21 HD11 ILE 21 3.322 2.377 4.700 165 HD12 ILE 21 HD12 ILE 21 4.939 1.792 5.098 166 HD13 ILE 21 HD13 ILE 21 4.710 3.497 4.701 167 H ASP 22 H ASP 22 0.502 4.514 2.235 168 HA ASP 22 HA ASP 22 -0.742 3.994 -0.349 169 HB2 ASP 22 HB2 ASP 22 -1.002 6.119 1.803 170 HB3 ASP 22 HB3 ASP 22 -1.864 6.191 0.285 171 H ILE 23 H ILE 23 1.073 4.358 -1.858 172 HA ILE 23 HA ILE 23 2.298 7.089 -1.762 173 HB ILE 23 HB ILE 23 3.906 6.216 -3.337 174 HG12 ILE 23 HG12 ILE 23 2.909 3.376 -3.117 175 HG13 ILE 23 HG13 ILE 23 2.207 4.448 -4.325 176 HG21 ILE 23 HG21 ILE 23 5.209 4.960 -1.848 177 HG22 ILE 23 HG22 ILE 23 4.106 5.766 -0.731 178 HG23 ILE 23 HG23 ILE 23 3.803 4.091 -1.160 179 HD11 ILE 23 HD11 ILE 23 4.362 4.926 -5.307 180 HD12 ILE 23 HD12 ILE 23 5.179 3.942 -4.069 181 HD13 ILE 23 HD13 ILE 23 4.083 3.176 -5.251 182 H ARG 24 H ARG 24 -0.508 6.805 -2.606 183 HA ARG 24 HA ARG 24 -0.248 7.473 -5.491 184 HB2 ARG 24 HB2 ARG 24 -2.918 7.020 -5.194 185 HB3 ARG 24 HB3 ARG 24 -1.706 5.916 -5.774 186 HG2 ARG 24 HG2 ARG 24 -3.026 4.747 -4.324 187 HG3 ARG 24 HG3 ARG 24 -1.474 4.909 -3.532 188 HD2 ARG 24 HD2 ARG 24 -2.898 5.217 -1.732 189 HD3 ARG 24 HD3 ARG 24 -2.749 6.894 -2.251 190 HE ARG 24 HE ARG 24 -4.812 6.398 -3.675 191 HH11 ARG 24 HH11 ARG 24 -4.540 4.557 -0.491 192 HH12 ARG 24 HH12 ARG 24 -6.186 4.078 -0.660 193 HH21 ARG 24 HH21 ARG 24 -6.722 5.644 -3.777 194 HH22 ARG 24 HH22 ARG 24 -7.540 4.747 -2.542 195 H ASP 25 H ASP 25 -2.916 8.387 -3.260 196 HA ASP 25 HA ASP 25 -2.175 11.192 -3.523 197 HB2 ASP 25 HB2 ASP 25 -3.232 10.383 -5.681 198 HB3 ASP 25 HB3 ASP 25 -4.667 10.007 -4.751 199 H ALA 26 H ALA 26 -3.224 12.387 -2.182 200 HA ALA 26 HA ALA 26 -4.583 11.142 0.113 201 HB1 ALA 26 HB1 ALA 26 -4.500 13.389 1.132 202 HB2 ALA 26 HB2 ALA 26 -2.915 12.886 0.516 203 HB3 ALA 26 HB3 ALA 26 -3.867 14.059 -0.387 204 H ASP 27 H ASP 27 -5.558 12.934 -2.733 205 HA ASP 27 HA ASP 27 -8.162 13.703 -1.808 206 HB2 ASP 27 HB2 ASP 27 -6.637 14.272 -4.048 207 HB3 ASP 27 HB3 ASP 27 -7.852 13.186 -4.710 208 H GLU 28 H GLU 28 -6.775 10.752 -3.148 209 HA GLU 28 HA GLU 28 -9.247 9.469 -3.872 210 HB2 GLU 28 HB2 GLU 28 -6.551 8.299 -3.156 211 HB3 GLU 28 HB3 GLU 28 -7.982 7.356 -3.626 212 HG2 GLU 28 HG2 GLU 28 -8.174 8.695 -5.710 213 HG3 GLU 28 HG3 GLU 28 -6.661 9.499 -5.297 214 H TYR 29 H TYR 29 -7.108 9.369 -1.158 215 HA TYR 29 HA TYR 29 -8.247 7.744 0.723 216 HB2 TYR 29 HB2 TYR 29 -6.109 9.466 0.633 217 HB3 TYR 29 HB3 TYR 29 -7.093 10.198 1.884 218 HD1 TYR 29 HD1 TYR 29 -6.269 6.648 0.845 219 HD2 TYR 29 HD2 TYR 29 -6.290 9.570 4.039 220 HE1 TYR 29 HE1 TYR 29 -5.190 5.028 2.350 221 HE2 TYR 29 HE2 TYR 29 -5.135 7.956 5.517 222 HH TYR 29 HH TYR 29 -3.708 5.064 4.156 223 H LEU 30 H LEU 30 -9.569 10.748 -0.311 224 HA LEU 30 HA LEU 30 -11.018 11.573 2.015 225 HB2 LEU 30 HB2 LEU 30 -10.252 12.901 -0.004 226 HB3 LEU 30 HB3 LEU 30 -11.533 12.150 -0.947 227 HG LEU 30 HG LEU 30 -12.075 13.677 1.594 228 HD11 LEU 30 HD11 LEU 30 -10.810 15.117 0.109 229 HD12 LEU 30 HD12 LEU 30 -12.494 15.661 0.136 230 HD13 LEU 30 HD13 LEU 30 -11.866 14.722 -1.249 231 HD21 LEU 30 HD21 LEU 30 -14.055 12.435 0.873 232 HD22 LEU 30 HD22 LEU 30 -13.830 12.968 -0.808 233 HD23 LEU 30 HD23 LEU 30 -14.306 14.120 0.453 234 H ARG 31 H ARG 31 -12.005 9.976 -1.051 235 HA ARG 31 HA ARG 31 -14.666 9.371 0.005 236 HB2 ARG 31 HB2 ARG 31 -13.396 8.502 -2.614 237 HB3 ARG 31 HB3 ARG 31 -15.081 8.318 -2.155 238 HG2 ARG 31 HG2 ARG 31 -15.388 10.767 -2.123 239 HG3 ARG 31 HG3 ARG 31 -13.688 11.001 -2.558 240 HD2 ARG 31 HD2 ARG 31 -14.028 9.639 -4.608 241 HD3 ARG 31 HD3 ARG 31 -15.748 9.466 -4.213 242 HE ARG 31 HE ARG 31 -15.470 12.161 -4.226 243 HH11 ARG 31 HH11 ARG 31 -14.473 9.718 -6.617 244 HH12 ARG 31 HH12 ARG 31 -14.628 10.836 -7.955 245 HH21 ARG 31 HH21 ARG 31 -15.643 13.542 -5.940 246 HH22 ARG 31 HH22 ARG 31 -15.177 13.128 -7.553 247 H GLU 32 H GLU 32 -11.809 7.415 -1.069 248 HA GLU 32 HA GLU 32 -12.883 5.151 0.508 249 HB2 GLU 32 HB2 GLU 32 -11.681 5.294 -2.298 250 HB3 GLU 32 HB3 GLU 32 -11.846 3.782 -1.423 251 HG2 GLU 32 HG2 GLU 32 -14.095 3.666 -1.791 252 HG3 GLU 32 HG3 GLU 32 -14.382 5.367 -1.557 253 H HIS 33 H HIS 33 -10.861 3.466 0.688 254 HA HIS 33 HA HIS 33 -8.337 5.010 1.099 255 HB2 HIS 33 HB2 HIS 33 -9.494 3.217 3.240 256 HB3 HIS 33 HB3 HIS 33 -7.925 4.023 3.257 257 HD1 HIS 33 HD1 HIS 33 -10.425 6.599 2.284 258 HD2 HIS 33 HD2 HIS 33 -8.927 4.688 5.698 259 HE1 HIS 33 HE1 HIS 33 -11.453 7.809 4.265 260 H ILE 34 H ILE 34 -8.297 1.919 2.588 261 HA ILE 34 HA ILE 34 -7.986 0.149 0.462 262 HB ILE 34 HB ILE 34 -5.812 2.081 0.826 263 HG12 ILE 34 HG12 ILE 34 -6.621 0.172 -1.124 264 HG13 ILE 34 HG13 ILE 34 -5.717 1.656 -1.292 265 HG21 ILE 34 HG21 ILE 34 -3.845 0.984 1.304 266 HG22 ILE 34 HG22 ILE 34 -4.931 0.775 2.688 267 HG23 ILE 34 HG23 ILE 34 -4.646 -0.576 1.609 268 HD11 ILE 34 HD11 ILE 34 -4.552 -0.252 -2.231 269 HD12 ILE 34 HD12 ILE 34 -3.629 0.438 -0.877 270 HD13 ILE 34 HD13 ILE 34 -4.500 -1.079 -0.676 271 HA PRO 35 HA PRO 35 -7.534 -2.802 3.793 272 HB2 PRO 35 HB2 PRO 35 -5.830 -4.684 2.781 273 HB3 PRO 35 HB3 PRO 35 -7.526 -4.470 2.364 274 HG2 PRO 35 HG2 PRO 35 -5.122 -3.601 0.713 275 HG3 PRO 35 HG3 PRO 35 -6.572 -4.260 0.173 276 HD2 PRO 35 HD2 PRO 35 -6.258 -1.618 0.136 277 HD3 PRO 35 HD3 PRO 35 -7.824 -2.342 0.414 278 H GLU 36 H GLU 36 -6.587 -1.423 5.285 279 HA GLU 36 HA GLU 36 -5.261 -0.572 6.767 280 HB2 GLU 36 HB2 GLU 36 -5.282 -3.251 6.852 281 HB3 GLU 36 HB3 GLU 36 -3.586 -3.030 6.738 282 HG2 GLU 36 HG2 GLU 36 -3.620 -2.839 8.974 283 HG3 GLU 36 HG3 GLU 36 -4.161 -1.189 8.701 284 H ALA 37 H ALA 37 -4.343 1.089 5.340 285 HA ALA 37 HA ALA 37 -1.379 0.871 5.193 286 HB1 ALA 37 HB1 ALA 37 -1.497 2.206 3.131 287 HB2 ALA 37 HB2 ALA 37 -2.462 0.732 2.995 288 HB3 ALA 37 HB3 ALA 37 -3.262 2.283 3.284 289 H ASP 38 H ASP 38 -0.730 3.419 4.583 290 HA ASP 38 HA ASP 38 -2.049 5.264 6.408 291 HB2 ASP 38 HB2 ASP 38 0.231 3.828 7.301 292 HB3 ASP 38 HB3 ASP 38 0.832 5.413 6.780 293 H LEU 39 H LEU 39 -1.968 7.282 5.601 294 HA LEU 39 HA LEU 39 -1.310 7.756 2.948 295 HB2 LEU 39 HB2 LEU 39 -3.006 8.965 4.246 296 HB3 LEU 39 HB3 LEU 39 -1.740 9.718 5.218 297 HG LEU 39 HG LEU 39 -0.866 10.875 3.185 298 HD11 LEU 39 HD11 LEU 39 -3.338 9.732 1.812 299 HD12 LEU 39 HD12 LEU 39 -1.671 9.241 1.462 300 HD13 LEU 39 HD13 LEU 39 -2.175 10.879 1.108 301 HD21 LEU 39 HD21 LEU 39 -2.520 11.980 4.630 302 HD22 LEU 39 HD22 LEU 39 -3.841 11.268 3.680 303 HD23 LEU 39 HD23 LEU 39 -2.743 12.459 2.939 304 H ALA 40 H ALA 40 0.620 8.054 1.928 305 HA ALA 40 HA ALA 40 2.592 9.910 2.938 306 HB1 ALA 40 HB1 ALA 40 3.272 6.960 2.825 307 HB2 ALA 40 HB2 ALA 40 4.455 8.274 2.996 308 HB3 ALA 40 HB3 ALA 40 3.265 7.979 4.279 309 HA PRO 41 HA PRO 41 2.056 9.288 -1.679 310 HB2 PRO 41 HB2 PRO 41 1.873 11.974 -2.365 311 HB3 PRO 41 HB3 PRO 41 0.494 10.908 -1.971 312 HG2 PRO 41 HG2 PRO 41 1.925 12.862 -0.171 313 HG3 PRO 41 HG3 PRO 41 0.165 12.568 -0.328 314 HD2 PRO 41 HD2 PRO 41 1.621 11.488 1.703 315 HD3 PRO 41 HD3 PRO 41 0.272 10.601 0.941 316 H LEU 42 H LEU 42 3.526 10.146 -3.453 317 HA LEU 42 HA LEU 42 6.195 9.753 -2.782 318 HB2 LEU 42 HB2 LEU 42 5.169 9.387 -4.972 319 HB3 LEU 42 HB3 LEU 42 5.027 11.135 -5.216 320 HG LEU 42 HG LEU 42 7.560 11.284 -5.096 321 HD11 LEU 42 HD11 LEU 42 8.082 9.206 -3.893 322 HD12 LEU 42 HD12 LEU 42 8.841 9.178 -5.484 323 HD13 LEU 42 HD13 LEU 42 7.361 8.235 -5.196 324 HD21 LEU 42 HD21 LEU 42 6.377 9.484 -7.246 325 HD22 LEU 42 HD22 LEU 42 7.904 10.390 -7.369 326 HD23 LEU 42 HD23 LEU 42 6.370 11.259 -7.239 327 H SER 43 H SER 43 4.448 12.720 -2.744 328 HA SER 43 HA SER 43 6.434 14.684 -2.671 329 HB2 SER 43 HB2 SER 43 3.920 14.879 -2.888 330 HB3 SER 43 HB3 SER 43 3.766 14.501 -1.168 331 HG SER 43 HG SER 43 3.769 16.784 -1.947 332 H VAL 44 H VAL 44 5.608 12.261 -0.309 333 HA VAL 44 HA VAL 44 7.014 13.610 1.907 334 HB VAL 44 HB VAL 44 5.383 11.036 1.958 335 HG11 VAL 44 HG11 VAL 44 5.969 13.054 4.160 336 HG12 VAL 44 HG12 VAL 44 5.150 11.484 4.324 337 HG13 VAL 44 HG13 VAL 44 6.861 11.545 3.906 338 HG21 VAL 44 HG21 VAL 44 4.372 13.886 2.342 339 HG22 VAL 44 HG22 VAL 44 3.821 12.710 1.140 340 HG23 VAL 44 HG23 VAL 44 3.486 12.432 2.848 341 H LEU 45 H LEU 45 6.975 10.549 -0.017 342 HA LEU 45 HA LEU 45 9.074 9.197 1.273 343 HB2 LEU 45 HB2 LEU 45 8.154 9.039 -1.583 344 HB3 LEU 45 HB3 LEU 45 9.488 8.164 -1.041 345 HG LEU 45 HG LEU 45 6.969 7.253 -0.965 346 HD11 LEU 45 HD11 LEU 45 7.755 5.362 0.253 347 HD12 LEU 45 HD12 LEU 45 9.151 6.303 0.824 348 HD13 LEU 45 HD13 LEU 45 8.950 5.918 -0.919 349 HD21 LEU 45 HD21 LEU 45 6.302 8.599 1.082 350 HD22 LEU 45 HD22 LEU 45 7.607 7.745 1.986 351 HD23 LEU 45 HD23 LEU 45 6.224 6.859 1.326 352 H GLU 46 H GLU 46 9.308 11.452 -1.602 353 HA GLU 46 HA GLU 46 12.129 11.116 -1.858 354 HB2 GLU 46 HB2 GLU 46 10.010 13.027 -2.911 355 HB3 GLU 46 HB3 GLU 46 11.708 13.195 -3.269 356 HG2 GLU 46 HG2 GLU 46 11.165 10.457 -3.795 357 HG3 GLU 46 HG3 GLU 46 9.780 11.346 -4.419 358 H GLN 47 H GLN 47 10.061 13.307 -0.032 359 HA GLN 47 HA GLN 47 12.179 15.212 0.540 360 HB2 GLN 47 HB2 GLN 47 9.367 14.741 1.594 361 HB3 GLN 47 HB3 GLN 47 10.461 15.925 2.269 362 HG2 GLN 47 HG2 GLN 47 9.455 15.835 -0.605 363 HG3 GLN 47 HG3 GLN 47 8.989 17.003 0.642 364 HE21 GLN 47 HE21 GLN 47 10.566 17.035 -2.147 365 HE22 GLN 47 HE22 GLN 47 11.996 17.963 -1.751 366 H SER 48 H SER 48 11.396 12.165 1.765 367 HA SER 48 HA SER 48 13.467 12.442 3.832 368 HB2 SER 48 HB2 SER 48 11.363 13.189 4.976 369 HB3 SER 48 HB3 SER 48 10.674 11.586 4.706 370 HG SER 48 HG SER 48 12.529 10.757 5.945 371 H GLY 49 H GLY 49 10.858 10.002 3.676 372 HA2 GLY 49 HA2 GLY 49 11.576 8.101 1.963 373 HA3 GLY 49 HA3 GLY 49 12.779 7.866 3.255 374 H LEU 50 H LEU 50 11.826 5.926 3.956 375 HA LEU 50 HA LEU 50 9.096 5.556 4.554 376 HB2 LEU 50 HB2 LEU 50 10.854 3.755 4.167 377 HB3 LEU 50 HB3 LEU 50 11.548 4.159 5.733 378 HG LEU 50 HG LEU 50 9.370 3.547 6.836 379 HD11 LEU 50 HD11 LEU 50 7.688 2.351 5.604 380 HD12 LEU 50 HD12 LEU 50 8.675 2.380 4.121 381 HD13 LEU 50 HD13 LEU 50 7.919 3.841 4.704 382 HD21 LEU 50 HD21 LEU 50 9.646 1.070 6.395 383 HD22 LEU 50 HD22 LEU 50 11.171 1.907 6.765 384 HD23 LEU 50 HD23 LEU 50 10.766 1.451 5.104 385 HA PRO 51 HA PRO 51 9.289 7.836 8.459 386 HB2 PRO 51 HB2 PRO 51 6.797 7.426 9.408 387 HB3 PRO 51 HB3 PRO 51 7.128 8.526 8.014 388 HG2 PRO 51 HG2 PRO 51 6.091 5.707 7.999 389 HG3 PRO 51 HG3 PRO 51 5.556 7.093 6.994 390 HD2 PRO 51 HD2 PRO 51 7.316 5.115 6.202 391 HD3 PRO 51 HD3 PRO 51 7.323 6.754 5.496 392 H ALA 52 H ALA 52 9.686 7.261 10.643 393 HA ALA 52 HA ALA 52 10.358 4.672 11.374 394 HB1 ALA 52 HB1 ALA 52 10.995 6.742 12.620 395 HB2 ALA 52 HB2 ALA 52 9.333 6.834 13.251 396 HB3 ALA 52 HB3 ALA 52 10.369 5.458 13.667 397 H LYS 53 H LYS 53 7.172 6.253 11.716 398 HA LYS 53 HA LYS 53 6.004 4.242 13.340 399 HB2 LYS 53 HB2 LYS 53 3.888 5.230 12.929 400 HB3 LYS 53 HB3 LYS 53 5.097 6.487 13.124 401 HG2 LYS 53 HG2 LYS 53 5.217 6.452 10.510 402 HG3 LYS 53 HG3 LYS 53 3.695 5.561 10.620 403 HD2 LYS 53 HD2 LYS 53 3.820 8.103 12.171 404 HD3 LYS 53 HD3 LYS 53 3.880 8.254 10.408 405 HE2 LYS 53 HE2 LYS 53 1.846 6.858 10.184 406 HE3 LYS 53 HE3 LYS 53 1.760 6.688 11.945 407 HZ1 LYS 53 HZ1 LYS 53 1.521 9.255 10.472 408 HZ2 LYS 53 HZ2 LYS 53 1.399 9.041 12.112 409 HZ3 LYS 53 HZ3 LYS 53 0.293 8.383 11.119 410 H LEU 54 H LEU 54 6.724 4.125 9.897 411 HA LEU 54 HA LEU 54 5.238 1.527 9.772 412 HB2 LEU 54 HB2 LEU 54 5.819 3.309 7.399 413 HB3 LEU 54 HB3 LEU 54 4.698 1.962 7.484 414 HG LEU 54 HG LEU 54 4.342 4.608 8.907 415 HD11 LEU 54 HD11 LEU 54 2.854 3.874 6.414 416 HD12 LEU 54 HD12 LEU 54 4.345 4.850 6.430 417 HD13 LEU 54 HD13 LEU 54 2.928 5.422 7.289 418 HD21 LEU 54 HD21 LEU 54 3.030 2.706 9.911 419 HD22 LEU 54 HD22 LEU 54 2.226 2.501 8.338 420 HD23 LEU 54 HD23 LEU 54 2.024 3.997 9.259 421 H ARG 55 H ARG 55 7.964 2.057 10.662 422 HA ARG 55 HA ARG 55 9.690 1.109 8.499 423 HB2 ARG 55 HB2 ARG 55 11.516 1.601 9.836 424 HB3 ARG 55 HB3 ARG 55 10.348 2.841 10.223 425 HG2 ARG 55 HG2 ARG 55 10.609 2.285 12.415 426 HG3 ARG 55 HG3 ARG 55 9.757 0.773 12.052 427 HD2 ARG 55 HD2 ARG 55 12.233 0.021 11.281 428 HD3 ARG 55 HD3 ARG 55 12.727 1.357 12.326 429 HE ARG 55 HE ARG 55 10.923 -0.028 13.862 430 HH11 ARG 55 HH11 ARG 55 14.053 -0.944 12.405 431 HH12 ARG 55 HH12 ARG 55 14.132 -2.447 13.256 432 HH21 ARG 55 HH21 ARG 55 11.079 -1.898 15.005 433 HH22 ARG 55 HH22 ARG 55 12.446 -2.953 14.866 434 H HIS 56 H HIS 56 7.565 -0.545 10.084 435 HA HIS 56 HA HIS 56 8.540 -2.770 11.377 436 HB2 HIS 56 HB2 HIS 56 6.153 -2.288 11.031 437 HB3 HIS 56 HB3 HIS 56 6.309 -2.570 9.302 438 HD1 HIS 56 HD1 HIS 56 5.699 -4.976 8.558 439 HD2 HIS 56 HD2 HIS 56 6.789 -4.642 12.622 440 HE1 HIS 56 HE1 HIS 56 5.440 -7.300 9.583 441 H GLU 57 H GLU 57 9.217 -4.934 10.713 442 HA GLU 57 HA GLU 57 11.161 -5.034 8.693 443 HB2 GLU 57 HB2 GLU 57 9.630 -7.255 10.078 444 HB3 GLU 57 HB3 GLU 57 11.071 -7.505 9.066 445 HG2 GLU 57 HG2 GLU 57 12.368 -6.033 10.513 446 HG3 GLU 57 HG3 GLU 57 10.983 -5.846 11.602 447 H GLN 58 H GLN 58 7.724 -5.639 8.348 448 HA GLN 58 HA GLN 58 8.197 -6.456 5.506 449 HB2 GLN 58 HB2 GLN 58 6.122 -7.532 7.460 450 HB3 GLN 58 HB3 GLN 58 6.052 -7.720 5.732 451 HG2 GLN 58 HG2 GLN 58 7.014 -9.732 6.482 452 HG3 GLN 58 HG3 GLN 58 8.381 -8.830 5.851 453 HE21 GLN 58 HE21 GLN 58 10.113 -9.711 7.197 454 HE22 GLN 58 HE22 GLN 58 9.976 -9.762 8.923 455 H ILE 59 H ILE 59 7.554 -4.799 4.227 456 HA ILE 59 HA ILE 59 5.038 -3.499 4.903 457 HB ILE 59 HB ILE 59 5.642 -1.553 5.163 458 HG12 ILE 59 HG12 ILE 59 7.353 -1.646 2.743 459 HG13 ILE 59 HG13 ILE 59 5.756 -0.920 2.947 460 HG21 ILE 59 HG21 ILE 59 7.560 -2.636 6.456 461 HG22 ILE 59 HG22 ILE 59 8.612 -1.979 5.152 462 HG23 ILE 59 HG23 ILE 59 7.648 -0.919 6.163 463 HD11 ILE 59 HD11 ILE 59 7.278 0.871 2.924 464 HD12 ILE 59 HD12 ILE 59 6.749 0.636 4.596 465 HD13 ILE 59 HD13 ILE 59 8.363 0.086 4.071 466 H ILE 60 H ILE 60 4.084 -2.351 2.959 467 HA ILE 60 HA ILE 60 4.701 -3.775 0.419 468 HB ILE 60 HB ILE 60 1.965 -3.494 1.738 469 HG12 ILE 60 HG12 ILE 60 3.871 -5.829 1.413 470 HG13 ILE 60 HG13 ILE 60 3.252 -5.187 2.900 471 HG21 ILE 60 HG21 ILE 60 1.804 -3.432 -0.778 472 HG22 ILE 60 HG22 ILE 60 2.718 -4.957 -0.832 473 HG23 ILE 60 HG23 ILE 60 1.110 -4.855 -0.097 474 HD11 ILE 60 HD11 ILE 60 0.982 -6.040 2.366 475 HD12 ILE 60 HD12 ILE 60 1.614 -6.679 0.849 476 HD13 ILE 60 HD13 ILE 60 2.245 -7.310 2.354 477 H PHE 61 H PHE 61 3.693 -2.712 -1.397 478 HA PHE 61 HA PHE 61 3.196 0.211 -1.123 479 HB2 PHE 61 HB2 PHE 61 5.207 -1.328 -2.792 480 HB3 PHE 61 HB3 PHE 61 4.538 0.193 -3.413 481 HD1 PHE 61 HD1 PHE 61 4.964 2.340 -2.276 482 HD2 PHE 61 HD2 PHE 61 6.532 -1.342 -0.708 483 HE1 PHE 61 HE1 PHE 61 6.212 3.590 -0.497 484 HE2 PHE 61 HE2 PHE 61 7.837 -0.076 0.960 485 HZ PHE 61 HZ PHE 61 7.535 2.361 1.159 486 H HIS 62 H HIS 62 1.670 1.053 -2.590 487 HA HIS 62 HA HIS 62 0.560 -0.653 -4.678 488 HB2 HIS 62 HB2 HIS 62 -1.450 -1.011 -3.767 489 HB3 HIS 62 HB3 HIS 62 -0.610 -0.979 -2.272 490 HD1 HIS 62 HD1 HIS 62 -3.282 0.824 -4.185 491 HD2 HIS 62 HD2 HIS 62 -0.609 1.671 -1.028 492 HE1 HIS 62 HE1 HIS 62 -4.070 2.999 -3.124 493 H CYS 63 H CYS 63 -0.960 0.640 -5.974 494 HA CYS 63 HA CYS 63 -1.042 3.543 -5.751 495 HB2 CYS 63 HB2 CYS 63 0.124 2.101 -8.195 496 HB3 CYS 63 HB3 CYS 63 -0.283 3.836 -8.105 497 HG CYS 63 HG CYS 63 2.319 3.677 -7.997 498 H GLN 64 H GLN 64 -2.260 3.545 -8.570 499 HA GLN 64 HA GLN 64 -4.870 2.392 -7.784 500 HB2 GLN 64 HB2 GLN 64 -4.154 3.656 -10.427 501 HB3 GLN 64 HB3 GLN 64 -5.756 3.445 -9.750 502 HG2 GLN 64 HG2 GLN 64 -5.452 5.129 -8.099 503 HG3 GLN 64 HG3 GLN 64 -3.719 5.261 -8.393 504 HE21 GLN 64 HE21 GLN 64 -6.039 7.219 -8.680 505 HE22 GLN 64 HE22 GLN 64 -5.768 7.949 -10.265 506 H ALA 65 H ALA 65 -5.903 1.361 -10.142 507 HA ALA 65 HA ALA 65 -4.534 -1.183 -10.436 508 HB1 ALA 65 HB1 ALA 65 -7.015 -0.961 -10.280 509 HB2 ALA 65 HB2 ALA 65 -7.004 0.003 -11.778 510 HB3 ALA 65 HB3 ALA 65 -6.528 -1.694 -11.823 511 H GLY 66 H GLY 66 -2.651 0.354 -11.271 512 HA2 GLY 66 HA2 GLY 66 -2.527 0.047 -14.220 513 HA3 GLY 66 HA3 GLY 66 -2.185 1.624 -13.506 514 H LYS 67 H LYS 67 -1.197 -1.074 -11.544 515 HA LYS 67 HA LYS 67 0.796 -1.614 -10.691 516 HB2 LYS 67 HB2 LYS 67 0.274 -2.924 -12.908 517 HB3 LYS 67 HB3 LYS 67 1.760 -2.157 -13.477 518 HG2 LYS 67 HG2 LYS 67 2.958 -3.153 -11.485 519 HG3 LYS 67 HG3 LYS 67 1.427 -3.873 -10.959 520 HD2 LYS 67 HD2 LYS 67 1.290 -5.034 -13.187 521 HD3 LYS 67 HD3 LYS 67 2.922 -4.450 -13.545 522 HE2 LYS 67 HE2 LYS 67 3.928 -5.814 -11.936 523 HE3 LYS 67 HE3 LYS 67 2.440 -5.980 -10.981 524 HZ1 LYS 67 HZ1 LYS 67 3.159 -7.947 -12.421 525 HZ2 LYS 67 HZ2 LYS 67 2.602 -7.078 -13.694 526 HZ3 LYS 67 HZ3 LYS 67 1.574 -7.485 -12.491 527 H ARG 68 H ARG 68 0.839 1.321 -11.211 528 HA ARG 68 HA ARG 68 3.378 2.115 -12.213 529 HB2 ARG 68 HB2 ARG 68 1.382 3.370 -10.320 530 HB3 ARG 68 HB3 ARG 68 2.993 4.050 -10.398 531 HG2 ARG 68 HG2 ARG 68 1.448 5.222 -11.893 532 HG3 ARG 68 HG3 ARG 68 2.857 4.541 -12.709 533 HD2 ARG 68 HD2 ARG 68 1.450 2.619 -13.458 534 HD3 ARG 68 HD3 ARG 68 0.029 3.399 -12.730 535 HE ARG 68 HE ARG 68 1.455 5.124 -14.546 536 HH11 ARG 68 HH11 ARG 68 -0.606 2.259 -14.693 537 HH12 ARG 68 HH12 ARG 68 -1.594 2.840 -16.010 538 HH21 ARG 68 HH21 ARG 68 0.486 5.691 -16.589 539 HH22 ARG 68 HH22 ARG 68 -0.753 4.678 -17.238 540 H THR 69 H THR 69 2.661 0.547 -9.128 541 HA THR 69 HA THR 69 4.806 1.280 -7.546 542 HB THR 69 HB THR 69 4.430 -1.191 -6.759 543 HG1 THR 69 HG1 THR 69 2.377 -1.990 -7.588 544 HG21 THR 69 HG21 THR 69 1.935 0.523 -6.789 545 HG22 THR 69 HG22 THR 69 3.326 0.820 -5.716 546 HG23 THR 69 HG23 THR 69 2.444 -0.713 -5.614 547 H SER 70 H SER 70 4.477 -1.471 -9.780 548 HA SER 70 HA SER 70 7.054 -2.486 -9.557 549 HB2 SER 70 HB2 SER 70 5.073 -3.586 -10.586 550 HB3 SER 70 HB3 SER 70 5.222 -2.502 -11.986 551 HG SER 70 HG SER 70 7.216 -4.333 -11.093 552 H ASN 71 H ASN 71 5.838 0.176 -11.354 553 HA ASN 71 HA ASN 71 8.162 0.501 -13.113 554 HB2 ASN 71 HB2 ASN 71 5.573 1.284 -13.340 555 HB3 ASN 71 HB3 ASN 71 6.307 2.801 -12.832 556 HD21 ASN 71 HD21 ASN 71 8.814 2.774 -14.123 557 HD22 ASN 71 HD22 ASN 71 8.551 2.678 -15.857 558 H ASN 72 H ASN 72 7.716 1.252 -9.859 559 HA ASN 72 HA ASN 72 9.960 3.219 -9.908 560 HB2 ASN 72 HB2 ASN 72 7.414 3.380 -8.241 561 HB3 ASN 72 HB3 ASN 72 8.847 4.386 -8.027 562 HD21 ASN 72 HD21 ASN 72 6.108 3.686 -10.232 563 HD22 ASN 72 HD22 ASN 72 6.356 5.099 -11.238 564 H ALA 73 H ALA 73 9.247 0.199 -9.325 565 HA ALA 73 HA ALA 73 9.607 -0.502 -6.695 566 HB1 ALA 73 HB1 ALA 73 10.577 -1.850 -9.260 567 HB2 ALA 73 HB2 ALA 73 10.462 -2.655 -7.689 568 HB3 ALA 73 HB3 ALA 73 8.992 -2.055 -8.467 569 H ASP 74 H ASP 74 12.110 0.769 -8.863 570 HA ASP 74 HA ASP 74 14.353 -0.313 -7.390 571 HB2 ASP 74 HB2 ASP 74 14.069 1.854 -9.482 572 HB3 ASP 74 HB3 ASP 74 15.581 1.583 -8.624 573 H LYS 75 H LYS 75 12.985 3.054 -7.587 574 HA LYS 75 HA LYS 75 14.556 4.082 -5.432 575 HB2 LYS 75 HB2 LYS 75 12.130 4.957 -6.970 576 HB3 LYS 75 HB3 LYS 75 12.269 5.640 -5.362 577 HG2 LYS 75 HG2 LYS 75 14.622 5.668 -7.275 578 HG3 LYS 75 HG3 LYS 75 13.410 6.948 -7.286 579 HD2 LYS 75 HD2 LYS 75 14.593 6.149 -4.641 580 HD3 LYS 75 HD3 LYS 75 15.626 7.064 -5.752 581 HE2 LYS 75 HE2 LYS 75 12.871 8.160 -5.462 582 HE3 LYS 75 HE3 LYS 75 13.780 8.119 -3.951 583 HZ1 LYS 75 HZ1 LYS 75 13.994 10.174 -5.189 584 HZ2 LYS 75 HZ2 LYS 75 14.813 9.447 -6.382 585 HZ3 LYS 75 HZ3 LYS 75 15.457 9.471 -4.874 586 H LEU 76 H LEU 76 11.254 2.985 -5.478 587 HA LEU 76 HA LEU 76 10.682 3.244 -2.725 588 HB2 LEU 76 HB2 LEU 76 9.534 1.238 -4.697 589 HB3 LEU 76 HB3 LEU 76 8.822 1.627 -3.131 590 HG LEU 76 HG LEU 76 9.217 3.680 -5.357 591 HD11 LEU 76 HD11 LEU 76 6.710 2.145 -4.574 592 HD12 LEU 76 HD12 LEU 76 7.666 1.892 -6.046 593 HD13 LEU 76 HD13 LEU 76 6.833 3.434 -5.802 594 HD21 LEU 76 HD21 LEU 76 9.078 4.720 -3.138 595 HD22 LEU 76 HD22 LEU 76 7.594 3.809 -2.783 596 HD23 LEU 76 HD23 LEU 76 7.617 5.039 -4.069 597 H ALA 77 H ALA 77 12.632 0.785 -4.224 598 HA ALA 77 HA ALA 77 12.346 -1.162 -2.043 599 HB1 ALA 77 HB1 ALA 77 14.346 -2.266 -3.092 600 HB2 ALA 77 HB2 ALA 77 12.995 -2.087 -4.204 601 HB3 ALA 77 HB3 ALA 77 14.386 -0.990 -4.322 602 H ALA 78 H ALA 78 15.009 0.887 -3.260 603 HA ALA 78 HA ALA 78 16.844 0.632 -1.187 604 HB1 ALA 78 HB1 ALA 78 17.631 2.903 -1.982 605 HB2 ALA 78 HB2 ALA 78 17.380 1.728 -3.288 606 HB3 ALA 78 HB3 ALA 78 16.185 3.016 -2.984 607 H ILE 79 H ILE 79 14.240 3.020 -1.482 608 HA ILE 79 HA ILE 79 14.658 4.579 0.790 609 HB ILE 79 HB ILE 79 12.371 3.892 -1.017 610 HG12 ILE 79 HG12 ILE 79 13.852 6.468 -0.312 611 HG13 ILE 79 HG13 ILE 79 14.115 5.495 -1.755 612 HG21 ILE 79 HG21 ILE 79 12.021 5.787 1.314 613 HG22 ILE 79 HG22 ILE 79 10.885 5.333 0.000 614 HG23 ILE 79 HG23 ILE 79 11.319 4.151 1.181 615 HD11 ILE 79 HD11 ILE 79 11.719 5.979 -2.430 616 HD12 ILE 79 HD12 ILE 79 11.613 7.131 -1.077 617 HD13 ILE 79 HD13 ILE 79 12.780 7.400 -2.361 618 H ALA 80 H ALA 80 13.017 1.347 0.592 619 HA ALA 80 HA ALA 80 12.268 1.523 3.491 620 HB1 ALA 80 HB1 ALA 80 10.486 1.395 1.783 621 HB2 ALA 80 HB2 ALA 80 11.148 -0.201 1.355 622 HB3 ALA 80 HB3 ALA 80 10.537 0.132 3.012 623 H ALA 81 H ALA 81 14.721 0.185 1.608 624 HA ALA 81 HA ALA 81 14.823 -2.493 2.724 625 HB1 ALA 81 HB1 ALA 81 17.133 -2.391 1.687 626 HB2 ALA 81 HB2 ALA 81 15.877 -1.820 0.578 627 HB3 ALA 81 HB3 ALA 81 16.925 -0.657 1.434 628 HA PRO 82 HA PRO 82 17.328 -3.671 3.304 629 HB2 PRO 82 HB2 PRO 82 18.084 -5.076 5.494 630 HB3 PRO 82 HB3 PRO 82 19.059 -3.731 4.853 631 HG2 PRO 82 HG2 PRO 82 17.025 -3.634 7.111 632 HG3 PRO 82 HG3 PRO 82 18.730 -3.068 7.124 633 HD2 PRO 82 HD2 PRO 82 16.704 -1.358 6.628 634 HD3 PRO 82 HD3 PRO 82 18.242 -1.217 5.747 635 H ALA 83 H ALA 83 14.598 -2.985 5.169 636 HA ALA 83 HA ALA 83 13.580 -5.539 5.846 637 HB1 ALA 83 HB1 ALA 83 12.067 -3.014 5.283 638 HB2 ALA 83 HB2 ALA 83 11.745 -4.284 6.500 639 HB3 ALA 83 HB3 ALA 83 13.095 -3.202 6.729 640 H GLU 84 H GLU 84 11.740 -6.528 4.996 641 HA GLU 84 HA GLU 84 11.833 -7.061 2.144 642 HB2 GLU 84 HB2 GLU 84 9.889 -8.075 4.276 643 HB3 GLU 84 HB3 GLU 84 9.994 -8.642 2.608 644 HG2 GLU 84 HG2 GLU 84 11.259 -10.227 3.569 645 HG3 GLU 84 HG3 GLU 84 12.522 -9.067 3.201 646 H ILE 85 H ILE 85 10.766 -5.893 0.590 647 HA ILE 85 HA ILE 85 8.202 -4.574 1.332 648 HB ILE 85 HB ILE 85 10.550 -3.668 -0.273 649 HG12 ILE 85 HG12 ILE 85 9.760 -1.514 0.472 650 HG13 ILE 85 HG13 ILE 85 8.227 -2.216 0.974 651 HG21 ILE 85 HG21 ILE 85 7.692 -3.004 -1.146 652 HG22 ILE 85 HG22 ILE 85 9.173 -2.173 -1.698 653 HG23 ILE 85 HG23 ILE 85 8.848 -3.869 -2.107 654 HD11 ILE 85 HD11 ILE 85 9.685 -1.733 2.919 655 HD12 ILE 85 HD12 ILE 85 9.236 -3.380 2.805 656 HD13 ILE 85 HD13 ILE 85 10.886 -2.895 2.299 657 H PHE 86 H PHE 86 6.422 -4.923 0.107 658 HA PHE 86 HA PHE 86 6.641 -6.703 -2.237 659 HB2 PHE 86 HB2 PHE 86 4.397 -6.982 -0.219 660 HB3 PHE 86 HB3 PHE 86 4.777 -8.033 -1.532 661 HD1 PHE 86 HD1 PHE 86 6.043 -6.899 1.821 662 HD2 PHE 86 HD2 PHE 86 6.125 -9.958 -1.203 663 HE1 PHE 86 HE1 PHE 86 7.279 -8.360 3.360 664 HE2 PHE 86 HE2 PHE 86 7.368 -11.433 0.349 665 HZ PHE 86 HZ PHE 86 7.930 -10.659 2.649 666 H LEU 87 H LEU 87 4.327 -6.879 -3.273 667 HA LEU 87 HA LEU 87 3.343 -4.116 -3.751 668 HB2 LEU 87 HB2 LEU 87 4.666 -6.069 -5.542 669 HB3 LEU 87 HB3 LEU 87 3.078 -5.593 -6.110 670 HG LEU 87 HG LEU 87 3.685 -3.244 -5.898 671 HD11 LEU 87 HD11 LEU 87 5.622 -3.173 -4.440 672 HD12 LEU 87 HD12 LEU 87 6.103 -2.584 -6.045 673 HD13 LEU 87 HD13 LEU 87 6.538 -4.233 -5.538 674 HD21 LEU 87 HD21 LEU 87 3.731 -4.444 -8.062 675 HD22 LEU 87 HD22 LEU 87 5.409 -4.951 -7.757 676 HD23 LEU 87 HD23 LEU 87 5.035 -3.245 -8.015 677 H LEU 88 H LEU 88 1.297 -4.087 -3.155 678 HA LEU 88 HA LEU 88 -0.304 -6.498 -3.006 679 HB2 LEU 88 HB2 LEU 88 -0.409 -4.259 -1.520 680 HB3 LEU 88 HB3 LEU 88 -1.715 -3.891 -2.613 681 HG LEU 88 HG LEU 88 -1.441 -6.549 -1.124 682 HD11 LEU 88 HD11 LEU 88 -3.008 -4.089 -0.288 683 HD12 LEU 88 HD12 LEU 88 -1.588 -4.790 0.523 684 HD13 LEU 88 HD13 LEU 88 -3.105 -5.687 0.484 685 HD21 LEU 88 HD21 LEU 88 -2.994 -6.605 -3.096 686 HD22 LEU 88 HD22 LEU 88 -3.943 -5.311 -2.345 687 HD23 LEU 88 HD23 LEU 88 -3.803 -6.879 -1.544 688 H GLU 89 H GLU 89 -0.424 -7.272 -4.947 689 HA GLU 89 HA GLU 89 -0.564 -7.186 -7.296 690 HB2 GLU 89 HB2 GLU 89 -1.830 -8.951 -6.453 691 HB3 GLU 89 HB3 GLU 89 -3.176 -7.933 -6.002 692 HG2 GLU 89 HG2 GLU 89 -3.754 -7.523 -8.333 693 HG3 GLU 89 HG3 GLU 89 -2.199 -8.126 -8.879 694 H ASP 90 H ASP 90 -0.268 -5.546 -8.494 695 HA ASP 90 HA ASP 90 -0.622 -3.922 -9.984 696 HB2 ASP 90 HB2 ASP 90 -3.078 -5.187 -9.975 697 HB3 ASP 90 HB3 ASP 90 -3.520 -3.505 -9.642 698 H GLY 91 H GLY 91 -2.620 -3.388 -7.079 699 HA2 GLY 91 HA2 GLY 91 -1.469 -1.340 -5.886 700 HA3 GLY 91 HA3 GLY 91 -2.209 -0.473 -7.242 701 H ILE 92 H ILE 92 -4.621 -1.676 -7.551 702 HA ILE 92 HA ILE 92 -5.938 -1.815 -4.910 703 HB ILE 92 HB ILE 92 -5.920 0.594 -5.703 704 HG12 ILE 92 HG12 ILE 92 -8.352 1.032 -5.262 705 HG13 ILE 92 HG13 ILE 92 -8.627 -0.716 -5.186 706 HG21 ILE 92 HG21 ILE 92 -8.055 -0.301 -7.647 707 HG22 ILE 92 HG22 ILE 92 -7.423 1.335 -7.366 708 HG23 ILE 92 HG23 ILE 92 -6.376 0.094 -8.105 709 HD11 ILE 92 HD11 ILE 92 -6.683 0.897 -3.503 710 HD12 ILE 92 HD12 ILE 92 -8.291 0.355 -2.969 711 HD13 ILE 92 HD13 ILE 92 -7.021 -0.843 -3.299 712 H ASP 93 H ASP 93 -5.728 -2.694 -8.221 713 HA ASP 93 HA ASP 93 -8.233 -3.881 -8.715 714 HB2 ASP 93 HB2 ASP 93 -6.449 -3.425 -10.389 715 HB3 ASP 93 HB3 ASP 93 -5.432 -4.633 -9.613 716 H GLY 94 H GLY 94 -5.264 -5.085 -7.058 717 HA2 GLY 94 HA2 GLY 94 -5.992 -7.782 -6.746 718 HA3 GLY 94 HA3 GLY 94 -4.853 -6.827 -5.777 719 H TRP 95 H TRP 95 -6.360 -4.916 -4.561 720 HA TRP 95 HA TRP 95 -7.401 -6.212 -2.314 721 HB2 TRP 95 HB2 TRP 95 -6.875 -3.932 -2.173 722 HB3 TRP 95 HB3 TRP 95 -8.222 -3.501 -3.243 723 HD1 TRP 95 HD1 TRP 95 -10.245 -2.727 -1.969 724 HE1 TRP 95 HE1 TRP 95 -11.315 -3.160 0.332 725 HE3 TRP 95 HE3 TRP 95 -7.175 -6.507 -0.282 726 HZ2 TRP 95 HZ2 TRP 95 -10.976 -5.045 2.537 727 HZ3 TRP 95 HZ3 TRP 95 -7.518 -7.466 1.926 728 HH2 TRP 95 HH2 TRP 95 -9.392 -6.759 3.378 729 H LYS 96 H LYS 96 -9.319 -4.532 -4.922 730 HA LYS 96 HA LYS 96 -11.772 -5.740 -4.081 731 HB2 LYS 96 HB2 LYS 96 -12.860 -4.699 -5.930 732 HB3 LYS 96 HB3 LYS 96 -11.822 -3.593 -5.059 733 HG2 LYS 96 HG2 LYS 96 -11.696 -3.040 -7.335 734 HG3 LYS 96 HG3 LYS 96 -10.142 -3.760 -6.931 735 HD2 LYS 96 HD2 LYS 96 -10.598 -5.729 -8.153 736 HD3 LYS 96 HD3 LYS 96 -12.349 -5.456 -8.133 737 HE2 LYS 96 HE2 LYS 96 -12.229 -3.712 -9.728 738 HE3 LYS 96 HE3 LYS 96 -10.474 -3.537 -9.552 739 HZ1 LYS 96 HZ1 LYS 96 -11.716 -5.999 -10.590 740 HZ2 LYS 96 HZ2 LYS 96 -10.116 -5.549 -10.639 741 HZ3 LYS 96 HZ3 LYS 96 -11.196 -4.770 -11.571 742 H LYS 97 H LYS 97 -9.274 -7.133 -6.087 743 HA LYS 97 HA LYS 97 -10.975 -8.862 -7.636 744 HB2 LYS 97 HB2 LYS 97 -8.077 -8.802 -6.868 745 HB3 LYS 97 HB3 LYS 97 -8.727 -10.385 -7.231 746 HG2 LYS 97 HG2 LYS 97 -9.306 -9.814 -9.427 747 HG3 LYS 97 HG3 LYS 97 -9.116 -8.072 -9.166 748 HD2 LYS 97 HD2 LYS 97 -6.742 -8.213 -9.109 749 HD3 LYS 97 HD3 LYS 97 -6.773 -9.933 -8.726 750 HE2 LYS 97 HE2 LYS 97 -5.999 -9.702 -10.970 751 HE3 LYS 97 HE3 LYS 97 -7.583 -10.486 -10.962 752 HZ1 LYS 97 HZ1 LYS 97 -8.567 -8.417 -11.660 753 HZ2 LYS 97 HZ2 LYS 97 -7.368 -8.853 -12.704 754 HZ3 LYS 97 HZ3 LYS 97 -7.121 -7.648 -11.625 755 H ALA 98 H ALA 98 -9.780 -8.973 -4.280 756 HA ALA 98 HA ALA 98 -10.722 -11.664 -3.793 757 HB1 ALA 98 HB1 ALA 98 -10.213 -11.109 -1.448 758 HB2 ALA 98 HB2 ALA 98 -8.885 -10.606 -2.515 759 HB3 ALA 98 HB3 ALA 98 -10.019 -9.397 -1.883 760 H GLY 99 H GLY 99 -12.409 -8.766 -4.309 761 HA2 GLY 99 HA2 GLY 99 -14.568 -8.278 -4.239 762 HA3 GLY 99 HA3 GLY 99 -14.943 -9.801 -3.413 763 H LEU 100 H LEU 100 -12.536 -8.157 -1.753 764 HA LEU 100 HA LEU 100 -14.252 -7.532 0.471 765 HB2 LEU 100 HB2 LEU 100 -11.316 -6.992 -0.033 766 HB3 LEU 100 HB3 LEU 100 -12.118 -6.956 1.544 767 HG LEU 100 HG LEU 100 -11.997 -9.496 -0.128 768 HD11 LEU 100 HD11 LEU 100 -10.053 -8.689 2.035 769 HD12 LEU 100 HD12 LEU 100 -9.698 -8.582 0.302 770 HD13 LEU 100 HD13 LEU 100 -10.014 -10.158 1.027 771 HD21 LEU 100 HD21 LEU 100 -13.648 -9.454 1.722 772 HD22 LEU 100 HD22 LEU 100 -12.351 -9.009 2.860 773 HD23 LEU 100 HD23 LEU 100 -12.326 -10.588 2.045 774 HA PRO 101 HA PRO 101 -14.564 -3.153 -0.603 775 HB2 PRO 101 HB2 PRO 101 -15.890 -2.204 1.527 776 HB3 PRO 101 HB3 PRO 101 -16.617 -3.503 0.528 777 HG2 PRO 101 HG2 PRO 101 -15.128 -3.792 3.163 778 HG3 PRO 101 HG3 PRO 101 -16.697 -4.515 2.687 779 HD2 PRO 101 HD2 PRO 101 -14.222 -5.795 2.448 780 HD3 PRO 101 HD3 PRO 101 -15.662 -6.174 1.445 781 H VAL 102 H VAL 102 -13.615 -0.972 -0.001 782 HA VAL 102 HA VAL 102 -11.270 -1.120 1.698 783 HB VAL 102 HB VAL 102 -11.235 1.307 0.761 784 HG11 VAL 102 HG11 VAL 102 -11.013 -0.869 -1.313 785 HG12 VAL 102 HG12 VAL 102 -10.047 0.613 -1.151 786 HG13 VAL 102 HG13 VAL 102 -9.864 -0.711 0.023 787 HG21 VAL 102 HG21 VAL 102 -13.102 0.107 -1.369 788 HG22 VAL 102 HG22 VAL 102 -13.622 1.285 -0.156 789 HG23 VAL 102 HG23 VAL 102 -12.385 1.705 -1.355 790 H ALA 103 H ALA 103 -11.070 0.910 3.242 791 HA ALA 103 HA ALA 103 -13.290 0.820 5.103 792 HB1 ALA 103 HB1 ALA 103 -10.776 2.542 5.056 793 HB2 ALA 103 HB2 ALA 103 -11.831 2.248 6.450 794 HB3 ALA 103 HB3 ALA 103 -10.880 0.908 5.771 795 H VAL 104 H VAL 104 -14.888 1.710 3.513 796 HA VAL 104 HA VAL 104 -14.704 4.566 2.774 797 HB VAL 104 HB VAL 104 -17.256 3.991 2.163 798 HG11 VAL 104 HG11 VAL 104 -15.472 4.476 0.518 799 HG12 VAL 104 HG12 VAL 104 -15.007 2.763 0.547 800 HG13 VAL 104 HG13 VAL 104 -16.606 3.234 -0.021 801 HG21 VAL 104 HG21 VAL 104 -17.736 1.740 1.649 802 HG22 VAL 104 HG22 VAL 104 -16.093 1.190 2.016 803 HG23 VAL 104 HG23 VAL 104 -17.184 1.724 3.328 804 H ASN 105 H ASN 105 -16.702 5.998 3.332 805 HA ASN 105 HA ASN 105 -17.658 5.561 6.118 806 HB2 ASN 105 HB2 ASN 105 -15.844 7.250 6.158 807 HB3 ASN 105 HB3 ASN 105 -16.731 8.223 4.968 808 HD21 ASN 105 HD21 ASN 105 -17.309 10.053 6.424 809 HD22 ASN 105 HD22 ASN 105 -18.225 9.739 7.883 810 H LYS 106 H LYS 106 -19.509 4.642 5.121 811 HA LYS 106 HA LYS 106 -20.985 6.045 3.088 812 HB2 LYS 106 HB2 LYS 106 -22.652 4.340 3.341 813 HB3 LYS 106 HB3 LYS 106 -21.079 3.564 3.447 814 HG2 LYS 106 HG2 LYS 106 -21.285 3.391 5.892 815 HG3 LYS 106 HG3 LYS 106 -22.790 4.318 5.875 816 HD2 LYS 106 HD2 LYS 106 -23.858 2.567 4.490 817 HD3 LYS 106 HD3 LYS 106 -22.384 1.591 4.572 818 HE2 LYS 106 HE2 LYS 106 -23.978 2.543 7.003 819 HE3 LYS 106 HE3 LYS 106 -24.234 0.990 6.203 820 HZ1 LYS 106 HZ1 LYS 106 -22.820 0.661 8.042 821 HZ2 LYS 106 HZ2 LYS 106 -21.747 1.804 7.578 822 HZ3 LYS 106 HZ3 LYS 106 -21.941 0.389 6.718 823 H SER 107 H SER 107 -23.397 6.388 3.472 824 HA SER 107 HA SER 107 -24.419 7.410 5.934 825 HB2 SER 107 HB2 SER 107 -24.710 9.766 4.987 826 HB3 SER 107 HB3 SER 107 -23.096 9.383 5.603 827 HG SER 107 HG SER 107 -23.910 9.098 2.918 828 H GLN 108 H GLN 108 -25.785 5.597 4.983 829 HA GLN 108 HA GLN 108 -27.105 5.971 2.421 830 HB2 GLN 108 HB2 GLN 108 -26.896 3.734 3.367 831 HB3 GLN 108 HB3 GLN 108 -27.721 4.226 4.843 832 HG2 GLN 108 HG2 GLN 108 -29.810 4.635 3.520 833 HG3 GLN 108 HG3 GLN 108 -28.973 4.054 2.075 834 HE21 GLN 108 HE21 GLN 108 -29.173 1.827 1.690 835 HE22 GLN 108 HE22 GLN 108 -29.631 0.652 2.922 Start of MODEL 10 1 H ALA 1 H ALA 1 14.610 -6.251 -3.433 2 HA ALA 1 HA ALA 1 13.372 -8.778 -2.504 3 HB1 ALA 1 HB1 ALA 1 13.265 -7.759 -0.249 4 HB2 ALA 1 HB2 ALA 1 14.938 -7.953 -0.810 5 HB3 ALA 1 HB3 ALA 1 14.176 -6.352 -0.836 6 H LEU 2 H LEU 2 11.693 -8.418 -4.076 7 HA LEU 2 HA LEU 2 9.480 -6.802 -3.226 8 HB2 LEU 2 HB2 LEU 2 10.573 -6.442 -6.074 9 HB3 LEU 2 HB3 LEU 2 9.031 -5.918 -5.460 10 HG LEU 2 HG LEU 2 10.690 -4.735 -3.664 11 HD11 LEU 2 HD11 LEU 2 12.707 -5.547 -4.926 12 HD12 LEU 2 HD12 LEU 2 12.635 -3.789 -4.894 13 HD13 LEU 2 HD13 LEU 2 12.145 -4.658 -6.339 14 HD21 LEU 2 HD21 LEU 2 10.177 -3.315 -6.275 15 HD22 LEU 2 HD22 LEU 2 10.031 -2.727 -4.586 16 HD23 LEU 2 HD23 LEU 2 8.826 -3.799 -5.232 17 H THR 3 H THR 3 7.904 -8.435 -3.339 18 HA THR 3 HA THR 3 7.866 -10.128 -5.776 19 HB THR 3 HB THR 3 7.606 -11.131 -2.926 20 HG1 THR 3 HG1 THR 3 9.385 -12.403 -3.513 21 HG21 THR 3 HG21 THR 3 7.220 -12.533 -5.598 22 HG22 THR 3 HG22 THR 3 6.031 -12.357 -4.278 23 HG23 THR 3 HG23 THR 3 7.451 -13.374 -4.055 24 H THR 4 H THR 4 5.831 -10.609 -6.530 25 HA THR 4 HA THR 4 3.618 -8.943 -5.690 26 HB THR 4 HB THR 4 2.728 -10.205 -7.827 27 HG1 THR 4 HG1 THR 4 4.505 -10.937 -9.124 28 HG21 THR 4 HG21 THR 4 5.127 -8.315 -7.998 29 HG22 THR 4 HG22 THR 4 3.425 -7.836 -7.805 30 HG23 THR 4 HG23 THR 4 3.949 -8.635 -9.295 31 H ILE 5 H ILE 5 3.317 -9.947 -3.638 32 HA ILE 5 HA ILE 5 2.601 -12.787 -3.465 33 HB ILE 5 HB ILE 5 3.663 -12.028 -1.549 34 HG12 ILE 5 HG12 ILE 5 0.701 -11.903 -0.858 35 HG13 ILE 5 HG13 ILE 5 1.688 -13.366 -0.948 36 HG21 ILE 5 HG21 ILE 5 3.515 -9.603 -1.961 37 HG22 ILE 5 HG22 ILE 5 1.800 -9.650 -1.441 38 HG23 ILE 5 HG23 ILE 5 3.152 -9.981 -0.315 39 HD11 ILE 5 HD11 ILE 5 1.379 -12.718 1.365 40 HD12 ILE 5 HD12 ILE 5 3.070 -12.396 0.927 41 HD13 ILE 5 HD13 ILE 5 1.901 -11.063 1.026 42 H SER 6 H SER 6 0.317 -13.537 -2.966 43 HA SER 6 HA SER 6 -1.529 -12.026 -4.539 44 HB2 SER 6 HB2 SER 6 -3.103 -13.844 -3.624 45 HB3 SER 6 HB3 SER 6 -1.795 -14.321 -4.717 46 HG SER 6 HG SER 6 -1.990 -15.693 -2.972 47 HA PRO 7 HA PRO 7 -3.292 -9.483 -1.451 48 HB2 PRO 7 HB2 PRO 7 -5.951 -9.344 -2.148 49 HB3 PRO 7 HB3 PRO 7 -4.635 -8.538 -3.056 50 HG2 PRO 7 HG2 PRO 7 -5.879 -11.257 -3.637 51 HG3 PRO 7 HG3 PRO 7 -5.611 -9.912 -4.784 52 HD2 PRO 7 HD2 PRO 7 -3.876 -11.915 -4.650 53 HD3 PRO 7 HD3 PRO 7 -3.269 -10.229 -4.783 54 H HIS 8 H HIS 8 -4.619 -12.532 -2.042 55 HA HIS 8 HA HIS 8 -6.279 -12.956 0.258 56 HB2 HIS 8 HB2 HIS 8 -6.496 -14.348 -1.732 57 HB3 HIS 8 HB3 HIS 8 -4.810 -14.859 -1.628 58 HD1 HIS 8 HD1 HIS 8 -4.208 -16.661 0.381 59 HD2 HIS 8 HD2 HIS 8 -8.267 -15.663 -0.255 60 HE1 HIS 8 HE1 HIS 8 -5.580 -18.428 1.571 61 H ASP 9 H ASP 9 -2.921 -13.971 -0.473 62 HA ASP 9 HA ASP 9 -2.491 -15.012 2.136 63 HB2 ASP 9 HB2 ASP 9 -0.672 -14.319 -0.175 64 HB3 ASP 9 HB3 ASP 9 0.008 -14.735 1.390 65 H ALA 10 H ALA 10 -1.905 -11.904 0.641 66 HA ALA 10 HA ALA 10 -0.472 -10.647 2.781 67 HB1 ALA 10 HB1 ALA 10 -1.105 -8.610 1.355 68 HB2 ALA 10 HB2 ALA 10 -0.372 -9.932 0.413 69 HB3 ALA 10 HB3 ALA 10 -2.128 -9.722 0.383 70 H GLN 11 H GLN 11 -3.948 -11.099 2.281 71 HA GLN 11 HA GLN 11 -4.856 -8.902 3.852 72 HB2 GLN 11 HB2 GLN 11 -6.187 -10.160 2.273 73 HB3 GLN 11 HB3 GLN 11 -5.980 -11.648 3.168 74 HG2 GLN 11 HG2 GLN 11 -7.193 -9.533 4.787 75 HG3 GLN 11 HG3 GLN 11 -8.068 -9.761 3.276 76 HE21 GLN 11 HE21 GLN 11 -9.100 -10.331 5.932 77 HE22 GLN 11 HE22 GLN 11 -9.426 -12.073 5.997 78 H GLU 12 H GLU 12 -3.279 -11.857 4.753 79 HA GLU 12 HA GLU 12 -4.327 -12.107 7.411 80 HB2 GLU 12 HB2 GLU 12 -3.534 -13.919 5.792 81 HB3 GLU 12 HB3 GLU 12 -1.898 -13.322 6.024 82 HG2 GLU 12 HG2 GLU 12 -2.194 -13.733 8.472 83 HG3 GLU 12 HG3 GLU 12 -3.768 -14.464 8.119 84 H LEU 13 H LEU 13 -0.962 -11.549 6.190 85 HA LEU 13 HA LEU 13 0.187 -10.716 8.502 86 HB2 LEU 13 HB2 LEU 13 1.968 -9.723 7.056 87 HB3 LEU 13 HB3 LEU 13 1.495 -11.364 6.706 88 HG LEU 13 HG LEU 13 -0.037 -10.314 4.875 89 HD11 LEU 13 HD11 LEU 13 0.661 -8.361 3.832 90 HD12 LEU 13 HD12 LEU 13 2.171 -8.241 4.784 91 HD13 LEU 13 HD13 LEU 13 0.601 -7.865 5.497 92 HD21 LEU 13 HD21 LEU 13 1.752 -11.840 4.385 93 HD22 LEU 13 HD22 LEU 13 2.968 -10.560 4.606 94 HD23 LEU 13 HD23 LEU 13 1.817 -10.475 3.255 95 H ILE 14 H ILE 14 -1.562 -8.607 6.273 96 HA ILE 14 HA ILE 14 -0.754 -6.144 7.346 97 HB ILE 14 HB ILE 14 -2.371 -7.188 5.338 98 HG12 ILE 14 HG12 ILE 14 -2.261 -4.218 5.649 99 HG13 ILE 14 HG13 ILE 14 -0.753 -5.126 5.498 100 HG21 ILE 14 HG21 ILE 14 -4.196 -5.419 6.924 101 HG22 ILE 14 HG22 ILE 14 -4.466 -5.893 5.248 102 HG23 ILE 14 HG23 ILE 14 -4.409 -7.144 6.519 103 HD11 ILE 14 HD11 ILE 14 -1.540 -4.439 3.298 104 HD12 ILE 14 HD12 ILE 14 -1.513 -6.213 3.448 105 HD13 ILE 14 HD13 ILE 14 -3.058 -5.314 3.534 106 H ALA 15 H ALA 15 -3.499 -8.209 8.197 107 HA ALA 15 HA ALA 15 -4.457 -6.495 10.301 108 HB1 ALA 15 HB1 ALA 15 -6.138 -8.209 10.535 109 HB2 ALA 15 HB2 ALA 15 -5.845 -7.996 8.809 110 HB3 ALA 15 HB3 ALA 15 -5.145 -9.397 9.656 111 H ARG 16 H ARG 16 -1.718 -8.214 10.243 112 HA ARG 16 HA ARG 16 -1.943 -9.249 13.066 113 HB2 ARG 16 HB2 ARG 16 0.052 -9.946 10.875 114 HB3 ARG 16 HB3 ARG 16 0.119 -10.504 12.550 115 HG2 ARG 16 HG2 ARG 16 -1.894 -11.743 12.356 116 HG3 ARG 16 HG3 ARG 16 -2.269 -11.064 10.762 117 HD2 ARG 16 HD2 ARG 16 -0.639 -12.308 9.679 118 HD3 ARG 16 HD3 ARG 16 0.423 -12.396 11.083 119 HE ARG 16 HE ARG 16 -1.895 -13.907 11.660 120 HH11 ARG 16 HH11 ARG 16 0.904 -14.038 9.414 121 HH12 ARG 16 HH12 ARG 16 0.557 -15.622 8.875 122 HH21 ARG 16 HH21 ARG 16 -2.165 -16.073 11.180 123 HH22 ARG 16 HH22 ARG 16 -1.415 -16.737 9.763 124 H GLY 17 H GLY 17 0.213 -7.480 10.833 125 HA2 GLY 17 HA2 GLY 17 0.874 -5.421 12.633 126 HA3 GLY 17 HA3 GLY 17 2.074 -6.694 12.881 127 H ALA 18 H ALA 18 1.600 -7.263 9.698 128 HA ALA 18 HA ALA 18 3.937 -5.763 8.915 129 HB1 ALA 18 HB1 ALA 18 3.468 -6.648 6.686 130 HB2 ALA 18 HB2 ALA 18 3.280 -7.934 7.889 131 HB3 ALA 18 HB3 ALA 18 1.843 -7.140 7.203 132 H LYS 19 H LYS 19 3.968 -3.910 7.461 133 HA LYS 19 HA LYS 19 1.439 -2.295 7.609 134 HB2 LYS 19 HB2 LYS 19 4.276 -1.689 8.203 135 HB3 LYS 19 HB3 LYS 19 3.489 -0.485 7.230 136 HG2 LYS 19 HG2 LYS 19 3.545 -0.239 9.798 137 HG3 LYS 19 HG3 LYS 19 2.087 0.215 8.970 138 HD2 LYS 19 HD2 LYS 19 2.168 -2.582 9.957 139 HD3 LYS 19 HD3 LYS 19 2.001 -1.311 11.162 140 HE2 LYS 19 HE2 LYS 19 -0.095 -0.638 10.408 141 HE3 LYS 19 HE3 LYS 19 0.183 -1.215 8.771 142 HZ1 LYS 19 HZ1 LYS 19 -1.438 -2.595 9.882 143 HZ2 LYS 19 HZ2 LYS 19 -0.429 -2.953 11.088 144 HZ3 LYS 19 HZ3 LYS 19 -0.098 -3.485 9.557 145 H LEU 20 H LEU 20 0.736 -0.987 5.930 146 HA LEU 20 HA LEU 20 2.017 -1.557 3.301 147 HB2 LEU 20 HB2 LEU 20 0.014 -2.830 3.341 148 HB3 LEU 20 HB3 LEU 20 -0.890 -1.546 4.140 149 HG LEU 20 HG LEU 20 -0.676 -0.119 2.122 150 HD11 LEU 20 HD11 LEU 20 0.285 -2.574 0.681 151 HD12 LEU 20 HD12 LEU 20 1.347 -1.213 1.113 152 HD13 LEU 20 HD13 LEU 20 0.001 -0.940 0.028 153 HD21 LEU 20 HD21 LEU 20 -2.641 -1.490 2.529 154 HD22 LEU 20 HD22 LEU 20 -1.924 -2.860 1.703 155 HD23 LEU 20 HD23 LEU 20 -2.306 -1.395 0.777 156 H ILE 21 H ILE 21 2.405 0.243 2.106 157 HA ILE 21 HA ILE 21 1.858 2.854 3.425 158 HB ILE 21 HB ILE 21 3.745 2.194 1.120 159 HG12 ILE 21 HG12 ILE 21 4.582 0.887 2.939 160 HG13 ILE 21 HG13 ILE 21 5.589 2.314 2.815 161 HG21 ILE 21 HG21 ILE 21 3.298 4.561 1.203 162 HG22 ILE 21 HG22 ILE 21 3.465 4.587 2.973 163 HG23 ILE 21 HG23 ILE 21 4.880 4.320 1.935 164 HD11 ILE 21 HD11 ILE 21 5.083 1.764 5.164 165 HD12 ILE 21 HD12 ILE 21 4.386 3.336 4.752 166 HD13 ILE 21 HD13 ILE 21 3.367 1.884 4.865 167 H ASP 22 H ASP 22 1.160 4.632 1.911 168 HA ASP 22 HA ASP 22 -0.511 3.653 -0.367 169 HB2 ASP 22 HB2 ASP 22 -1.840 4.009 1.656 170 HB3 ASP 22 HB3 ASP 22 -1.237 5.656 1.775 171 H ILE 23 H ILE 23 1.360 4.175 -1.662 172 HA ILE 23 HA ILE 23 2.287 6.941 -1.706 173 HB ILE 23 HB ILE 23 3.908 6.162 -3.307 174 HG12 ILE 23 HG12 ILE 23 3.412 3.282 -3.367 175 HG13 ILE 23 HG13 ILE 23 1.982 4.112 -3.959 176 HG21 ILE 23 HG21 ILE 23 5.097 4.375 -2.080 177 HG22 ILE 23 HG22 ILE 23 4.504 5.663 -0.998 178 HG23 ILE 23 HG23 ILE 23 3.696 4.092 -1.085 179 HD11 ILE 23 HD11 ILE 23 4.793 4.718 -4.940 180 HD12 ILE 23 HD12 ILE 23 3.683 3.551 -5.719 181 HD13 ILE 23 HD13 ILE 23 3.250 5.266 -5.646 182 H ARG 24 H ARG 24 -0.557 6.691 -2.535 183 HA ARG 24 HA ARG 24 -0.271 7.482 -5.427 184 HB2 ARG 24 HB2 ARG 24 -2.872 7.424 -5.390 185 HB3 ARG 24 HB3 ARG 24 -1.938 5.965 -5.642 186 HG2 ARG 24 HG2 ARG 24 -2.244 5.194 -3.476 187 HG3 ARG 24 HG3 ARG 24 -2.693 6.805 -2.892 188 HD2 ARG 24 HD2 ARG 24 -4.857 6.486 -4.322 189 HD3 ARG 24 HD3 ARG 24 -4.467 4.754 -4.185 190 HE ARG 24 HE ARG 24 -4.011 5.890 -1.714 191 HH11 ARG 24 HH11 ARG 24 -6.993 5.292 -3.603 192 HH12 ARG 24 HH12 ARG 24 -8.024 5.382 -2.199 193 HH21 ARG 24 HH21 ARG 24 -5.287 5.778 0.031 194 HH22 ARG 24 HH22 ARG 24 -7.050 5.729 -0.067 195 H ASP 25 H ASP 25 -2.776 8.676 -3.030 196 HA ASP 25 HA ASP 25 -1.530 11.271 -2.942 197 HB2 ASP 25 HB2 ASP 25 -2.742 10.745 -5.328 198 HB3 ASP 25 HB3 ASP 25 -4.144 11.233 -4.434 199 H ALA 26 H ALA 26 -2.879 12.805 -1.862 200 HA ALA 26 HA ALA 26 -4.549 11.685 0.220 201 HB1 ALA 26 HB1 ALA 26 -3.023 13.707 0.456 202 HB2 ALA 26 HB2 ALA 26 -4.198 14.620 -0.521 203 HB3 ALA 26 HB3 ALA 26 -4.672 13.942 1.058 204 H ASP 27 H ASP 27 -5.238 13.030 -2.974 205 HA ASP 27 HA ASP 27 -8.001 13.722 -2.352 206 HB2 ASP 27 HB2 ASP 27 -6.148 14.331 -4.422 207 HB3 ASP 27 HB3 ASP 27 -7.399 13.378 -5.196 208 H GLU 28 H GLU 28 -6.224 10.917 -3.399 209 HA GLU 28 HA GLU 28 -8.482 9.400 -4.427 210 HB2 GLU 28 HB2 GLU 28 -5.703 8.597 -3.461 211 HB3 GLU 28 HB3 GLU 28 -6.876 7.485 -4.151 212 HG2 GLU 28 HG2 GLU 28 -5.800 9.917 -5.594 213 HG3 GLU 28 HG3 GLU 28 -5.159 8.285 -5.750 214 H TYR 29 H TYR 29 -6.581 9.516 -1.493 215 HA TYR 29 HA TYR 29 -7.807 7.609 0.181 216 HB2 TYR 29 HB2 TYR 29 -5.624 8.665 0.528 217 HB3 TYR 29 HB3 TYR 29 -6.384 10.217 0.788 218 HD1 TYR 29 HD1 TYR 29 -5.513 6.994 2.348 219 HD2 TYR 29 HD2 TYR 29 -7.579 10.737 2.879 220 HE1 TYR 29 HE1 TYR 29 -5.484 6.664 4.811 221 HE2 TYR 29 HE2 TYR 29 -7.578 10.405 5.313 222 HH TYR 29 HH TYR 29 -6.608 9.200 7.084 223 H LEU 30 H LEU 30 -9.212 10.539 -0.911 224 HA LEU 30 HA LEU 30 -10.824 11.216 1.336 225 HB2 LEU 30 HB2 LEU 30 -10.059 12.623 -0.615 226 HB3 LEU 30 HB3 LEU 30 -11.282 11.861 -1.615 227 HG LEU 30 HG LEU 30 -11.954 13.223 1.018 228 HD11 LEU 30 HD11 LEU 30 -12.423 15.274 -0.314 229 HD12 LEU 30 HD12 LEU 30 -11.768 14.446 -1.760 230 HD13 LEU 30 HD13 LEU 30 -10.721 14.805 -0.384 231 HD21 LEU 30 HD21 LEU 30 -13.847 11.946 0.174 232 HD22 LEU 30 HD22 LEU 30 -13.619 12.619 -1.461 233 HD23 LEU 30 HD23 LEU 30 -14.165 13.649 -0.119 234 H ARG 31 H ARG 31 -11.794 9.727 -1.835 235 HA ARG 31 HA ARG 31 -14.369 8.963 -0.656 236 HB2 ARG 31 HB2 ARG 31 -13.183 8.325 -3.393 237 HB3 ARG 31 HB3 ARG 31 -14.841 8.051 -2.908 238 HG2 ARG 31 HG2 ARG 31 -13.548 10.811 -3.128 239 HG3 ARG 31 HG3 ARG 31 -14.611 10.057 -4.326 240 HD2 ARG 31 HD2 ARG 31 -16.355 9.808 -2.503 241 HD3 ARG 31 HD3 ARG 31 -15.330 10.786 -1.461 242 HE ARG 31 HE ARG 31 -15.482 12.618 -3.084 243 HH11 ARG 31 HH11 ARG 31 -17.964 10.064 -3.488 244 HH12 ARG 31 HH12 ARG 31 -19.249 11.176 -3.220 245 HH21 ARG 31 HH21 ARG 31 -17.331 14.061 -3.098 246 HH22 ARG 31 HH22 ARG 31 -18.869 13.489 -3.605 247 H GLU 32 H GLU 32 -11.315 7.275 -1.432 248 HA GLU 32 HA GLU 32 -12.511 4.821 -0.283 249 HB2 GLU 32 HB2 GLU 32 -10.879 4.987 -2.864 250 HB3 GLU 32 HB3 GLU 32 -11.328 3.514 -2.027 251 HG2 GLU 32 HG2 GLU 32 -13.795 4.293 -2.321 252 HG3 GLU 32 HG3 GLU 32 -13.187 5.539 -3.398 253 H HIS 33 H HIS 33 -10.807 3.209 0.189 254 HA HIS 33 HA HIS 33 -8.203 4.498 0.805 255 HB2 HIS 33 HB2 HIS 33 -9.858 4.580 2.652 256 HB3 HIS 33 HB3 HIS 33 -9.795 2.818 2.706 257 HD1 HIS 33 HD1 HIS 33 -6.233 3.355 2.367 258 HD2 HIS 33 HD2 HIS 33 -9.162 4.470 5.189 259 HE1 HIS 33 HE1 HIS 33 -5.023 3.699 4.553 260 H ILE 34 H ILE 34 -8.011 1.699 2.266 261 HA ILE 34 HA ILE 34 -7.677 -0.226 0.162 262 HB ILE 34 HB ILE 34 -5.636 1.814 0.531 263 HG12 ILE 34 HG12 ILE 34 -6.121 -0.439 -1.238 264 HG13 ILE 34 HG13 ILE 34 -5.686 1.229 -1.568 265 HG21 ILE 34 HG21 ILE 34 -4.386 -0.739 1.478 266 HG22 ILE 34 HG22 ILE 34 -3.630 0.810 1.164 267 HG23 ILE 34 HG23 ILE 34 -4.762 0.620 2.512 268 HD11 ILE 34 HD11 ILE 34 -3.282 0.547 -1.026 269 HD12 ILE 34 HD12 ILE 34 -3.901 -1.146 -0.953 270 HD13 ILE 34 HD13 ILE 34 -4.027 -0.193 -2.445 271 HA PRO 35 HA PRO 35 -7.276 -3.067 3.668 272 HB2 PRO 35 HB2 PRO 35 -5.377 -4.879 2.854 273 HB3 PRO 35 HB3 PRO 35 -7.050 -4.795 2.305 274 HG2 PRO 35 HG2 PRO 35 -4.622 -3.915 0.750 275 HG3 PRO 35 HG3 PRO 35 -6.060 -4.559 0.180 276 HD2 PRO 35 HD2 PRO 35 -5.558 -1.933 0.154 277 HD3 PRO 35 HD3 PRO 35 -7.207 -2.609 0.138 278 H GLU 36 H GLU 36 -6.590 -1.346 4.978 279 HA GLU 36 HA GLU 36 -5.459 -0.321 6.560 280 HB2 GLU 36 HB2 GLU 36 -5.619 -2.724 7.177 281 HB3 GLU 36 HB3 GLU 36 -3.918 -2.895 6.752 282 HG2 GLU 36 HG2 GLU 36 -3.296 -1.281 8.503 283 HG3 GLU 36 HG3 GLU 36 -4.991 -0.910 8.815 284 H ALA 37 H ALA 37 -4.488 1.317 5.118 285 HA ALA 37 HA ALA 37 -1.532 1.101 5.117 286 HB1 ALA 37 HB1 ALA 37 -1.403 2.238 3.021 287 HB2 ALA 37 HB2 ALA 37 -2.428 0.821 2.919 288 HB3 ALA 37 HB3 ALA 37 -3.175 2.449 2.987 289 H ASP 38 H ASP 38 -0.590 3.433 4.425 290 HA ASP 38 HA ASP 38 -1.772 5.517 6.156 291 HB2 ASP 38 HB2 ASP 38 0.036 4.120 7.318 292 HB3 ASP 38 HB3 ASP 38 1.188 4.840 6.169 293 H LEU 39 H LEU 39 -1.874 7.368 5.046 294 HA LEU 39 HA LEU 39 -1.176 7.650 2.340 295 HB2 LEU 39 HB2 LEU 39 -2.934 8.973 3.424 296 HB3 LEU 39 HB3 LEU 39 -1.723 9.749 4.455 297 HG LEU 39 HG LEU 39 -0.626 10.708 2.403 298 HD11 LEU 39 HD11 LEU 39 -1.434 9.104 0.683 299 HD12 LEU 39 HD12 LEU 39 -1.894 10.761 0.290 300 HD13 LEU 39 HD13 LEU 39 -3.100 9.644 0.961 301 HD21 LEU 39 HD21 LEU 39 -3.542 11.481 2.647 302 HD22 LEU 39 HD22 LEU 39 -2.177 12.479 2.089 303 HD23 LEU 39 HD23 LEU 39 -2.260 11.973 3.777 304 H ALA 40 H ALA 40 0.783 7.835 1.396 305 HA ALA 40 HA ALA 40 2.753 9.731 2.419 306 HB1 ALA 40 HB1 ALA 40 3.242 7.743 3.780 307 HB2 ALA 40 HB2 ALA 40 3.393 6.767 2.302 308 HB3 ALA 40 HB3 ALA 40 4.549 8.079 2.625 309 HA PRO 41 HA PRO 41 2.262 9.012 -2.153 310 HB2 PRO 41 HB2 PRO 41 2.181 11.657 -2.940 311 HB3 PRO 41 HB3 PRO 41 0.765 10.676 -2.471 312 HG2 PRO 41 HG2 PRO 41 2.303 12.640 -0.778 313 HG3 PRO 41 HG3 PRO 41 0.534 12.429 -0.913 314 HD2 PRO 41 HD2 PRO 41 1.983 11.360 1.142 315 HD3 PRO 41 HD3 PRO 41 0.561 10.524 0.450 316 H LEU 42 H LEU 42 3.660 9.731 -3.929 317 HA LEU 42 HA LEU 42 6.340 9.232 -3.407 318 HB2 LEU 42 HB2 LEU 42 5.140 8.943 -5.568 319 HB3 LEU 42 HB3 LEU 42 5.125 10.703 -5.778 320 HG LEU 42 HG LEU 42 7.644 10.688 -5.807 321 HD11 LEU 42 HD11 LEU 42 7.244 7.652 -5.746 322 HD12 LEU 42 HD12 LEU 42 8.131 8.639 -4.555 323 HD13 LEU 42 HD13 LEU 42 8.751 8.470 -6.189 324 HD21 LEU 42 HD21 LEU 42 7.860 9.728 -8.046 325 HD22 LEU 42 HD22 LEU 42 6.348 10.627 -7.906 326 HD23 LEU 42 HD23 LEU 42 6.323 8.850 -7.853 327 H SER 43 H SER 43 4.655 12.361 -3.485 328 HA SER 43 HA SER 43 6.781 14.155 -3.599 329 HB2 SER 43 HB2 SER 43 4.884 15.507 -2.286 330 HB3 SER 43 HB3 SER 43 4.692 15.061 -3.985 331 HG SER 43 HG SER 43 2.910 14.584 -2.411 332 H VAL 44 H VAL 44 5.874 12.025 -1.011 333 HA VAL 44 HA VAL 44 7.402 13.658 0.970 334 HB VAL 44 HB VAL 44 5.608 11.288 1.581 335 HG11 VAL 44 HG11 VAL 44 6.487 13.703 3.231 336 HG12 VAL 44 HG12 VAL 44 5.533 12.323 3.804 337 HG13 VAL 44 HG13 VAL 44 7.218 12.093 3.308 338 HG21 VAL 44 HG21 VAL 44 3.817 12.911 2.199 339 HG22 VAL 44 HG22 VAL 44 4.764 14.215 1.444 340 HG23 VAL 44 HG23 VAL 44 4.126 12.884 0.464 341 H LEU 45 H LEU 45 7.077 10.475 -0.604 342 HA LEU 45 HA LEU 45 9.139 9.103 0.787 343 HB2 LEU 45 HB2 LEU 45 8.157 8.837 -2.087 344 HB3 LEU 45 HB3 LEU 45 9.326 7.782 -1.365 345 HG LEU 45 HG LEU 45 6.461 7.562 -1.365 346 HD11 LEU 45 HD11 LEU 45 8.216 5.826 -1.758 347 HD12 LEU 45 HD12 LEU 45 6.932 5.315 -0.651 348 HD13 LEU 45 HD13 LEU 45 8.520 5.786 -0.025 349 HD21 LEU 45 HD21 LEU 45 6.378 8.644 0.861 350 HD22 LEU 45 HD22 LEU 45 7.624 7.514 1.488 351 HD23 LEU 45 HD23 LEU 45 6.018 6.928 0.981 352 H GLU 46 H GLU 46 9.379 11.315 -2.122 353 HA GLU 46 HA GLU 46 12.158 10.732 -2.472 354 HB2 GLU 46 HB2 GLU 46 10.123 12.648 -3.639 355 HB3 GLU 46 HB3 GLU 46 11.830 12.679 -4.049 356 HG2 GLU 46 HG2 GLU 46 11.694 10.213 -4.611 357 HG3 GLU 46 HG3 GLU 46 9.957 10.316 -4.400 358 H GLN 47 H GLN 47 10.243 13.168 -0.690 359 HA GLN 47 HA GLN 47 12.420 14.998 -0.303 360 HB2 GLN 47 HB2 GLN 47 9.791 14.446 1.159 361 HB3 GLN 47 HB3 GLN 47 10.928 15.667 1.703 362 HG2 GLN 47 HG2 GLN 47 9.666 15.607 -1.061 363 HG3 GLN 47 HG3 GLN 47 9.108 16.598 0.296 364 HE21 GLN 47 HE21 GLN 47 10.471 17.084 -2.505 365 HE22 GLN 47 HE22 GLN 47 11.887 18.079 -2.116 366 H SER 48 H SER 48 11.323 12.010 1.334 367 HA SER 48 HA SER 48 13.855 12.044 2.879 368 HB2 SER 48 HB2 SER 48 11.088 11.689 4.094 369 HB3 SER 48 HB3 SER 48 12.637 11.482 4.907 370 HG SER 48 HG SER 48 13.092 13.638 4.547 371 H GLY 49 H GLY 49 10.862 10.010 3.010 372 HA2 GLY 49 HA2 GLY 49 11.420 7.905 1.451 373 HA3 GLY 49 HA3 GLY 49 12.532 7.634 2.818 374 H LEU 50 H LEU 50 11.587 5.988 3.844 375 HA LEU 50 HA LEU 50 8.715 5.888 4.355 376 HB2 LEU 50 HB2 LEU 50 9.974 3.876 3.646 377 HB3 LEU 50 HB3 LEU 50 11.055 4.065 5.025 378 HG LEU 50 HG LEU 50 9.006 3.770 6.558 379 HD11 LEU 50 HD11 LEU 50 7.759 2.750 3.964 380 HD12 LEU 50 HD12 LEU 50 7.214 4.194 4.833 381 HD13 LEU 50 HD13 LEU 50 7.093 2.611 5.597 382 HD21 LEU 50 HD21 LEU 50 9.865 1.563 4.680 383 HD22 LEU 50 HD22 LEU 50 9.023 1.302 6.161 384 HD23 LEU 50 HD23 LEU 50 10.650 2.013 6.207 385 HA PRO 51 HA PRO 51 9.624 7.892 8.352 386 HB2 PRO 51 HB2 PRO 51 6.990 7.331 9.356 387 HB3 PRO 51 HB3 PRO 51 7.598 8.889 8.690 388 HG2 PRO 51 HG2 PRO 51 5.758 6.966 7.527 389 HG3 PRO 51 HG3 PRO 51 6.224 8.572 6.895 390 HD2 PRO 51 HD2 PRO 51 7.045 5.971 5.985 391 HD3 PRO 51 HD3 PRO 51 7.561 7.561 5.357 392 H ALA 52 H ALA 52 9.969 7.176 10.486 393 HA ALA 52 HA ALA 52 10.369 4.468 10.935 394 HB1 ALA 52 HB1 ALA 52 10.740 5.040 13.281 395 HB2 ALA 52 HB2 ALA 52 11.530 6.190 12.197 396 HB3 ALA 52 HB3 ALA 52 10.017 6.634 13.027 397 H LYS 53 H LYS 53 7.268 6.122 11.198 398 HA LYS 53 HA LYS 53 6.240 4.252 13.131 399 HB2 LYS 53 HB2 LYS 53 4.147 5.227 12.949 400 HB3 LYS 53 HB3 LYS 53 5.309 6.545 12.834 401 HG2 LYS 53 HG2 LYS 53 4.948 6.639 10.372 402 HG3 LYS 53 HG3 LYS 53 3.846 5.244 10.516 403 HD2 LYS 53 HD2 LYS 53 2.310 6.439 11.858 404 HD3 LYS 53 HD3 LYS 53 3.338 7.862 11.942 405 HE2 LYS 53 HE2 LYS 53 2.107 6.737 9.375 406 HE3 LYS 53 HE3 LYS 53 1.352 7.956 10.382 407 HZ1 LYS 53 HZ1 LYS 53 3.453 9.290 10.023 408 HZ2 LYS 53 HZ2 LYS 53 2.399 9.135 8.769 409 HZ3 LYS 53 HZ3 LYS 53 3.760 8.255 8.756 410 H LEU 54 H LEU 54 6.805 3.838 9.687 411 HA LEU 54 HA LEU 54 5.288 1.291 9.811 412 HB2 LEU 54 HB2 LEU 54 5.632 3.093 7.385 413 HB3 LEU 54 HB3 LEU 54 4.801 1.553 7.471 414 HG LEU 54 HG LEU 54 3.468 3.083 9.408 415 HD11 LEU 54 HD11 LEU 54 2.924 5.193 8.306 416 HD12 LEU 54 HD12 LEU 54 3.925 4.771 6.907 417 HD13 LEU 54 HD13 LEU 54 4.701 5.084 8.454 418 HD21 LEU 54 HD21 LEU 54 2.641 1.537 7.449 419 HD22 LEU 54 HD22 LEU 54 2.465 3.036 6.570 420 HD23 LEU 54 HD23 LEU 54 1.608 2.799 8.115 421 H ARG 55 H ARG 55 8.143 1.955 10.454 422 HA ARG 55 HA ARG 55 9.635 1.009 8.102 423 HB2 ARG 55 HB2 ARG 55 11.583 1.647 9.156 424 HB3 ARG 55 HB3 ARG 55 10.403 2.857 9.570 425 HG2 ARG 55 HG2 ARG 55 11.184 2.538 11.698 426 HG3 ARG 55 HG3 ARG 55 10.058 1.181 11.695 427 HD2 ARG 55 HD2 ARG 55 12.509 0.230 10.534 428 HD3 ARG 55 HD3 ARG 55 12.975 1.235 11.898 429 HE ARG 55 HE ARG 55 11.344 -0.089 13.258 430 HH11 ARG 55 HH11 ARG 55 12.848 -1.704 10.403 431 HH12 ARG 55 HH12 ARG 55 13.058 -3.204 11.276 432 HH21 ARG 55 HH21 ARG 55 11.241 -2.245 14.090 433 HH22 ARG 55 HH22 ARG 55 12.029 -3.547 13.195 434 H HIS 56 H HIS 56 7.912 -0.634 10.132 435 HA HIS 56 HA HIS 56 9.061 -2.741 11.345 436 HB2 HIS 56 HB2 HIS 56 6.576 -2.516 9.596 437 HB3 HIS 56 HB3 HIS 56 7.004 -4.058 10.336 438 HD1 HIS 56 HD1 HIS 56 7.430 -3.814 13.160 439 HD2 HIS 56 HD2 HIS 56 5.003 -1.056 11.120 440 HE1 HIS 56 HE1 HIS 56 5.940 -2.758 14.906 441 H GLU 57 H GLU 57 9.741 -4.882 10.902 442 HA GLU 57 HA GLU 57 11.500 -5.292 8.806 443 HB2 GLU 57 HB2 GLU 57 10.051 -7.193 10.676 444 HB3 GLU 57 HB3 GLU 57 11.140 -7.794 9.437 445 HG2 GLU 57 HG2 GLU 57 12.381 -7.607 11.481 446 HG3 GLU 57 HG3 GLU 57 12.991 -6.439 10.312 447 H GLN 58 H GLN 58 8.036 -5.580 8.573 448 HA GLN 58 HA GLN 58 8.295 -6.708 5.845 449 HB2 GLN 58 HB2 GLN 58 6.503 -7.597 8.136 450 HB3 GLN 58 HB3 GLN 58 6.054 -7.918 6.469 451 HG2 GLN 58 HG2 GLN 58 7.703 -9.520 6.157 452 HG3 GLN 58 HG3 GLN 58 8.802 -8.804 7.332 453 HE21 GLN 58 HE21 GLN 58 9.120 -10.206 9.010 454 HE22 GLN 58 HE22 GLN 58 7.804 -10.971 9.899 455 H ILE 59 H ILE 59 7.664 -5.118 4.534 456 HA ILE 59 HA ILE 59 5.139 -3.837 5.151 457 HB ILE 59 HB ILE 59 5.648 -1.857 5.212 458 HG12 ILE 59 HG12 ILE 59 7.628 -2.029 2.941 459 HG13 ILE 59 HG13 ILE 59 5.981 -1.412 2.895 460 HG21 ILE 59 HG21 ILE 59 7.485 -2.793 6.691 461 HG22 ILE 59 HG22 ILE 59 8.593 -2.110 5.430 462 HG23 ILE 59 HG23 ILE 59 7.477 -1.095 6.291 463 HD11 ILE 59 HD11 ILE 59 6.580 0.357 4.473 464 HD12 ILE 59 HD12 ILE 59 8.275 -0.096 4.280 465 HD13 ILE 59 HD13 ILE 59 7.357 0.471 2.868 466 H ILE 60 H ILE 60 4.295 -2.677 3.156 467 HA ILE 60 HA ILE 60 4.809 -4.163 0.653 468 HB ILE 60 HB ILE 60 2.061 -3.830 1.958 469 HG12 ILE 60 HG12 ILE 60 3.726 -6.284 1.289 470 HG13 ILE 60 HG13 ILE 60 3.387 -5.688 2.894 471 HG21 ILE 60 HG21 ILE 60 2.859 -4.869 -0.806 472 HG22 ILE 60 HG22 ILE 60 1.243 -5.057 -0.109 473 HG23 ILE 60 HG23 ILE 60 1.818 -3.485 -0.475 474 HD11 ILE 60 HD11 ILE 60 1.285 -6.779 1.006 475 HD12 ILE 60 HD12 ILE 60 2.035 -7.623 2.344 476 HD13 ILE 60 HD13 ILE 60 1.009 -6.186 2.647 477 H PHE 61 H PHE 61 4.004 -3.068 -1.100 478 HA PHE 61 HA PHE 61 3.390 -0.167 -0.865 479 HB2 PHE 61 HB2 PHE 61 5.441 -1.606 -2.555 480 HB3 PHE 61 HB3 PHE 61 4.728 -0.105 -3.128 481 HD1 PHE 61 HD1 PHE 61 4.629 1.816 -1.140 482 HD2 PHE 61 HD2 PHE 61 7.525 -1.315 -1.610 483 HE1 PHE 61 HE1 PHE 61 6.221 3.103 0.230 484 HE2 PHE 61 HE2 PHE 61 9.124 -0.050 -0.247 485 HZ PHE 61 HZ PHE 61 8.482 2.221 0.659 486 H HIS 62 H HIS 62 1.700 0.442 -2.082 487 HA HIS 62 HA HIS 62 0.662 -0.981 -4.346 488 HB2 HIS 62 HB2 HIS 62 -0.153 -1.950 -1.955 489 HB3 HIS 62 HB3 HIS 62 -1.259 -0.586 -2.071 490 HD1 HIS 62 HD1 HIS 62 -3.372 -1.786 -2.607 491 HD2 HIS 62 HD2 HIS 62 -0.157 -3.073 -4.953 492 HE1 HIS 62 HE1 HIS 62 -4.331 -3.528 -4.257 493 H CYS 63 H CYS 63 -1.496 0.530 -5.012 494 HA CYS 63 HA CYS 63 -1.358 3.211 -3.953 495 HB2 CYS 63 HB2 CYS 63 -0.537 4.348 -5.980 496 HB3 CYS 63 HB3 CYS 63 0.657 3.193 -5.436 497 HG CYS 63 HG CYS 63 -1.644 2.311 -7.645 498 H GLN 64 H GLN 64 -2.350 4.059 -6.838 499 HA GLN 64 HA GLN 64 -5.187 3.261 -6.380 500 HB2 GLN 64 HB2 GLN 64 -5.829 5.150 -7.726 501 HB3 GLN 64 HB3 GLN 64 -4.769 5.717 -6.440 502 HG2 GLN 64 HG2 GLN 64 -2.900 5.861 -8.034 503 HG3 GLN 64 HG3 GLN 64 -3.946 5.284 -9.343 504 HE21 GLN 64 HE21 GLN 64 -5.617 6.755 -10.218 505 HE22 GLN 64 HE22 GLN 64 -5.578 8.438 -9.796 506 H ALA 65 H ALA 65 -6.369 2.880 -8.528 507 HA ALA 65 HA ALA 65 -4.956 0.982 -10.217 508 HB1 ALA 65 HB1 ALA 65 -7.141 0.318 -9.806 509 HB2 ALA 65 HB2 ALA 65 -7.803 1.962 -9.939 510 HB3 ALA 65 HB3 ALA 65 -7.295 1.056 -11.380 511 H GLY 66 H GLY 66 -3.445 2.841 -10.651 512 HA2 GLY 66 HA2 GLY 66 -3.616 3.544 -13.366 513 HA3 GLY 66 HA3 GLY 66 -4.082 4.997 -12.473 514 H LYS 67 H LYS 67 -2.271 4.907 -10.329 515 HA LYS 67 HA LYS 67 0.088 5.988 -11.506 516 HB2 LYS 67 HB2 LYS 67 -0.893 5.462 -8.771 517 HB3 LYS 67 HB3 LYS 67 0.807 5.106 -8.911 518 HG2 LYS 67 HG2 LYS 67 0.519 7.323 -8.130 519 HG3 LYS 67 HG3 LYS 67 1.311 7.348 -9.706 520 HD2 LYS 67 HD2 LYS 67 -0.861 8.023 -10.738 521 HD3 LYS 67 HD3 LYS 67 -1.596 8.080 -9.133 522 HE2 LYS 67 HE2 LYS 67 0.856 9.705 -9.960 523 HE3 LYS 67 HE3 LYS 67 -0.805 10.303 -10.094 524 HZ1 LYS 67 HZ1 LYS 67 0.187 11.093 -8.081 525 HZ2 LYS 67 HZ2 LYS 67 0.532 9.565 -7.559 526 HZ3 LYS 67 HZ3 LYS 67 -1.041 10.122 -7.741 527 H ARG 68 H ARG 68 -0.590 2.745 -10.204 528 HA ARG 68 HA ARG 68 0.149 0.770 -10.511 529 HB2 ARG 68 HB2 ARG 68 1.921 1.821 -12.753 530 HB3 ARG 68 HB3 ARG 68 1.672 0.130 -12.335 531 HG2 ARG 68 HG2 ARG 68 -0.883 0.615 -12.634 532 HG3 ARG 68 HG3 ARG 68 -0.373 2.103 -13.376 533 HD2 ARG 68 HD2 ARG 68 0.356 -0.700 -14.278 534 HD3 ARG 68 HD3 ARG 68 -0.814 0.370 -15.057 535 HE ARG 68 HE ARG 68 2.001 0.303 -15.462 536 HH11 ARG 68 HH11 ARG 68 -0.502 2.839 -15.013 537 HH12 ARG 68 HH12 ARG 68 0.139 3.835 -16.267 538 HH21 ARG 68 HH21 ARG 68 2.765 1.663 -17.165 539 HH22 ARG 68 HH22 ARG 68 1.870 3.092 -17.584 540 H THR 69 H THR 69 1.189 -0.014 -8.757 541 HA THR 69 HA THR 69 3.331 1.425 -7.632 542 HB THR 69 HB THR 69 3.087 -1.491 -7.027 543 HG1 THR 69 HG1 THR 69 0.972 -1.194 -7.225 544 HG21 THR 69 HG21 THR 69 2.951 0.984 -5.253 545 HG22 THR 69 HG22 THR 69 4.474 0.193 -5.735 546 HG23 THR 69 HG23 THR 69 3.282 -0.703 -4.800 547 H SER 70 H SER 70 3.247 -1.282 -9.923 548 HA SER 70 HA SER 70 6.053 -1.884 -9.881 549 HB2 SER 70 HB2 SER 70 4.293 -3.386 -10.642 550 HB3 SER 70 HB3 SER 70 3.996 -2.359 -12.056 551 HG SER 70 HG SER 70 5.360 -4.335 -12.161 552 H ASN 71 H ASN 71 4.683 1.024 -10.732 553 HA ASN 71 HA ASN 71 6.101 1.638 -13.180 554 HB2 ASN 71 HB2 ASN 71 4.038 2.768 -12.295 555 HB3 ASN 71 HB3 ASN 71 5.027 3.541 -11.057 556 HD21 ASN 71 HD21 ASN 71 5.443 3.004 -14.653 557 HD22 ASN 71 HD22 ASN 71 5.725 4.690 -14.978 558 H ASN 72 H ASN 72 6.912 1.892 -9.738 559 HA ASN 72 HA ASN 72 9.723 2.409 -10.402 560 HB2 ASN 72 HB2 ASN 72 8.378 4.268 -8.417 561 HB3 ASN 72 HB3 ASN 72 10.034 4.282 -8.987 562 HD21 ASN 72 HD21 ASN 72 6.741 5.197 -9.724 563 HD22 ASN 72 HD22 ASN 72 7.081 6.106 -11.198 564 H ALA 73 H ALA 73 7.900 0.332 -9.118 565 HA ALA 73 HA ALA 73 7.863 0.096 -6.416 566 HB1 ALA 73 HB1 ALA 73 7.963 -2.310 -6.730 567 HB2 ALA 73 HB2 ALA 73 6.930 -1.563 -7.925 568 HB3 ALA 73 HB3 ALA 73 8.565 -2.100 -8.386 569 H ASP 74 H ASP 74 10.666 -0.627 -8.470 570 HA ASP 74 HA ASP 74 12.340 -1.683 -6.455 571 HB2 ASP 74 HB2 ASP 74 13.140 -0.249 -8.998 572 HB3 ASP 74 HB3 ASP 74 14.246 -1.161 -7.970 573 H LYS 75 H LYS 75 11.953 1.774 -7.432 574 HA LYS 75 HA LYS 75 14.051 2.766 -5.818 575 HB2 LYS 75 HB2 LYS 75 11.914 3.804 -7.532 576 HB3 LYS 75 HB3 LYS 75 11.933 4.733 -6.038 577 HG2 LYS 75 HG2 LYS 75 14.396 4.182 -7.742 578 HG3 LYS 75 HG3 LYS 75 13.397 5.626 -7.911 579 HD2 LYS 75 HD2 LYS 75 14.554 4.840 -5.227 580 HD3 LYS 75 HD3 LYS 75 15.545 5.683 -6.451 581 HE2 LYS 75 HE2 LYS 75 13.476 7.328 -6.563 582 HE3 LYS 75 HE3 LYS 75 13.080 6.677 -4.981 583 HZ1 LYS 75 HZ1 LYS 75 14.414 8.608 -4.699 584 HZ2 LYS 75 HZ2 LYS 75 15.461 8.164 -5.845 585 HZ3 LYS 75 HZ3 LYS 75 15.445 7.380 -4.372 586 H LEU 76 H LEU 76 10.629 2.339 -5.301 587 HA LEU 76 HA LEU 76 10.354 3.366 -2.663 588 HB2 LEU 76 HB2 LEU 76 8.804 0.976 -3.709 589 HB3 LEU 76 HB3 LEU 76 8.315 2.116 -2.480 590 HG LEU 76 HG LEU 76 8.645 2.834 -5.401 591 HD11 LEU 76 HD11 LEU 76 6.067 2.368 -3.828 592 HD12 LEU 76 HD12 LEU 76 6.774 1.176 -4.917 593 HD13 LEU 76 HD13 LEU 76 6.220 2.717 -5.571 594 HD21 LEU 76 HD21 LEU 76 8.897 4.756 -3.869 595 HD22 LEU 76 HD22 LEU 76 7.317 4.354 -3.144 596 HD23 LEU 76 HD23 LEU 76 7.427 4.871 -4.844 597 H ALA 77 H ALA 77 11.309 0.155 -3.827 598 HA ALA 77 HA ALA 77 11.340 -1.311 -1.483 599 HB1 ALA 77 HB1 ALA 77 11.869 -1.992 -3.919 600 HB2 ALA 77 HB2 ALA 77 13.548 -1.683 -3.500 601 HB3 ALA 77 HB3 ALA 77 12.625 -2.885 -2.578 602 H ALA 78 H ALA 78 14.083 0.463 -2.894 603 HA ALA 78 HA ALA 78 15.913 0.057 -0.738 604 HB1 ALA 78 HB1 ALA 78 16.600 0.750 -3.002 605 HB2 ALA 78 HB2 ALA 78 15.762 2.318 -2.772 606 HB3 ALA 78 HB3 ALA 78 17.180 1.905 -1.780 607 H ILE 79 H ILE 79 13.560 2.649 -1.420 608 HA ILE 79 HA ILE 79 14.252 4.474 0.624 609 HB ILE 79 HB ILE 79 11.913 3.878 -1.131 610 HG12 ILE 79 HG12 ILE 79 13.306 6.500 -0.567 611 HG13 ILE 79 HG13 ILE 79 13.973 5.291 -1.672 612 HG21 ILE 79 HG21 ILE 79 10.641 5.796 -0.106 613 HG22 ILE 79 HG22 ILE 79 10.608 4.259 0.774 614 HG23 ILE 79 HG23 ILE 79 11.657 5.594 1.329 615 HD11 ILE 79 HD11 ILE 79 11.294 6.689 -1.985 616 HD12 ILE 79 HD12 ILE 79 12.752 6.924 -2.946 617 HD13 ILE 79 HD13 ILE 79 11.876 5.372 -3.024 618 H ALA 80 H ALA 80 12.282 1.473 0.735 619 HA ALA 80 HA ALA 80 11.625 1.897 3.597 620 HB1 ALA 80 HB1 ALA 80 10.077 0.031 3.057 621 HB2 ALA 80 HB2 ALA 80 9.811 1.527 2.161 622 HB3 ALA 80 HB3 ALA 80 10.614 0.157 1.364 623 H ALA 81 H ALA 81 14.125 0.483 1.845 624 HA ALA 81 HA ALA 81 14.375 -1.988 3.309 625 HB1 ALA 81 HB1 ALA 81 16.400 -0.308 1.738 626 HB2 ALA 81 HB2 ALA 81 16.679 -1.974 2.243 627 HB3 ALA 81 HB3 ALA 81 15.413 -1.613 1.070 628 HA PRO 82 HA PRO 82 16.846 -2.944 4.050 629 HB2 PRO 82 HB2 PRO 82 18.356 -3.659 6.096 630 HB3 PRO 82 HB3 PRO 82 18.819 -2.232 5.143 631 HG2 PRO 82 HG2 PRO 82 17.180 -2.224 7.716 632 HG3 PRO 82 HG3 PRO 82 18.681 -1.357 7.392 633 HD2 PRO 82 HD2 PRO 82 16.266 -0.204 7.027 634 HD3 PRO 82 HD3 PRO 82 17.658 0.152 5.961 635 H ALA 83 H ALA 83 14.404 -3.148 4.299 636 HA ALA 83 HA ALA 83 13.758 -5.254 6.272 637 HB1 ALA 83 HB1 ALA 83 11.931 -2.959 5.602 638 HB2 ALA 83 HB2 ALA 83 11.748 -4.210 6.872 639 HB3 ALA 83 HB3 ALA 83 12.984 -2.982 7.035 640 H GLU 84 H GLU 84 11.528 -6.249 5.483 641 HA GLU 84 HA GLU 84 11.993 -7.183 2.736 642 HB2 GLU 84 HB2 GLU 84 10.062 -8.225 4.838 643 HB3 GLU 84 HB3 GLU 84 10.403 -8.908 3.246 644 HG2 GLU 84 HG2 GLU 84 12.822 -9.156 3.941 645 HG3 GLU 84 HG3 GLU 84 12.314 -8.764 5.593 646 H ILE 85 H ILE 85 11.166 -5.867 1.212 647 HA ILE 85 HA ILE 85 8.451 -4.740 1.542 648 HB ILE 85 HB ILE 85 10.954 -3.989 0.018 649 HG12 ILE 85 HG12 ILE 85 10.714 -1.932 0.911 650 HG13 ILE 85 HG13 ILE 85 8.974 -2.069 1.181 651 HG21 ILE 85 HG21 ILE 85 9.393 -4.071 -1.808 652 HG22 ILE 85 HG22 ILE 85 8.146 -3.253 -0.839 653 HG23 ILE 85 HG23 ILE 85 9.597 -2.387 -1.355 654 HD11 ILE 85 HD11 ILE 85 11.107 -3.494 2.825 655 HD12 ILE 85 HD12 ILE 85 10.262 -2.032 3.314 656 HD13 ILE 85 HD13 ILE 85 9.337 -3.502 3.114 657 H PHE 86 H PHE 86 6.801 -5.090 0.145 658 HA PHE 86 HA PHE 86 7.125 -6.926 -2.107 659 HB2 PHE 86 HB2 PHE 86 5.118 -7.403 0.135 660 HB3 PHE 86 HB3 PHE 86 5.303 -8.403 -1.280 661 HD1 PHE 86 HD1 PHE 86 6.496 -7.668 2.077 662 HD2 PHE 86 HD2 PHE 86 7.453 -9.714 -1.544 663 HE1 PHE 86 HE1 PHE 86 8.021 -9.143 3.345 664 HE2 PHE 86 HE2 PHE 86 9.069 -11.173 -0.313 665 HZ PHE 86 HZ PHE 86 9.333 -10.898 2.151 666 H LEU 87 H LEU 87 4.738 -7.337 -3.102 667 HA LEU 87 HA LEU 87 3.503 -4.685 -3.420 668 HB2 LEU 87 HB2 LEU 87 5.205 -5.870 -5.333 669 HB3 LEU 87 HB3 LEU 87 3.614 -6.434 -5.821 670 HG LEU 87 HG LEU 87 2.872 -3.979 -5.503 671 HD11 LEU 87 HD11 LEU 87 4.792 -2.350 -6.002 672 HD12 LEU 87 HD12 LEU 87 5.905 -3.681 -5.712 673 HD13 LEU 87 HD13 LEU 87 4.826 -3.087 -4.400 674 HD21 LEU 87 HD21 LEU 87 3.712 -3.404 -7.851 675 HD22 LEU 87 HD22 LEU 87 2.943 -4.998 -7.715 676 HD23 LEU 87 HD23 LEU 87 4.709 -4.857 -7.761 677 H LEU 88 H LEU 88 1.346 -4.801 -3.284 678 HA LEU 88 HA LEU 88 0.084 -7.335 -2.701 679 HB2 LEU 88 HB2 LEU 88 -0.286 -4.557 -2.049 680 HB3 LEU 88 HB3 LEU 88 -1.776 -5.125 -2.768 681 HG LEU 88 HG LEU 88 -0.351 -6.556 -0.496 682 HD11 LEU 88 HD11 LEU 88 -1.016 -4.438 0.336 683 HD12 LEU 88 HD12 LEU 88 -2.211 -5.596 0.914 684 HD13 LEU 88 HD13 LEU 88 -2.594 -4.504 -0.443 685 HD21 LEU 88 HD21 LEU 88 -2.722 -7.546 -0.239 686 HD22 LEU 88 HD22 LEU 88 -1.645 -8.149 -1.515 687 HD23 LEU 88 HD23 LEU 88 -2.950 -7.059 -1.933 688 H GLU 89 H GLU 89 0.737 -6.279 -5.592 689 HA GLU 89 HA GLU 89 0.203 -7.095 -7.605 690 HB2 GLU 89 HB2 GLU 89 -1.084 -8.971 -6.652 691 HB3 GLU 89 HB3 GLU 89 -2.556 -7.977 -6.714 692 HG2 GLU 89 HG2 GLU 89 -2.272 -7.676 -9.152 693 HG3 GLU 89 HG3 GLU 89 -0.766 -8.586 -9.099 694 H ASP 90 H ASP 90 0.240 -5.428 -8.923 695 HA ASP 90 HA ASP 90 -0.412 -3.807 -10.236 696 HB2 ASP 90 HB2 ASP 90 -2.422 -5.236 -10.590 697 HB3 ASP 90 HB3 ASP 90 -3.292 -4.052 -9.610 698 H GLY 91 H GLY 91 -2.968 -2.168 -9.022 699 HA2 GLY 91 HA2 GLY 91 -1.198 -0.241 -7.567 700 HA3 GLY 91 HA3 GLY 91 -2.546 0.212 -8.644 701 H ILE 92 H ILE 92 -4.645 -0.952 -8.051 702 HA ILE 92 HA ILE 92 -5.064 -1.376 -5.157 703 HB ILE 92 HB ILE 92 -5.615 1.066 -6.209 704 HG12 ILE 92 HG12 ILE 92 -5.562 0.679 -3.884 705 HG13 ILE 92 HG13 ILE 92 -7.037 1.516 -4.298 706 HG21 ILE 92 HG21 ILE 92 -7.931 1.459 -6.581 707 HG22 ILE 92 HG22 ILE 92 -7.383 0.209 -7.711 708 HG23 ILE 92 HG23 ILE 92 -8.335 -0.238 -6.301 709 HD11 ILE 92 HD11 ILE 92 -8.188 -0.819 -4.151 710 HD12 ILE 92 HD12 ILE 92 -6.679 -1.343 -3.366 711 HD13 ILE 92 HD13 ILE 92 -7.659 -0.048 -2.659 712 H ASP 93 H ASP 93 -5.440 -2.237 -8.423 713 HA ASP 93 HA ASP 93 -7.929 -3.561 -8.448 714 HB2 ASP 93 HB2 ASP 93 -6.891 -2.866 -10.438 715 HB3 ASP 93 HB3 ASP 93 -5.389 -3.644 -10.078 716 H GLY 94 H GLY 94 -4.693 -4.495 -7.176 717 HA2 GLY 94 HA2 GLY 94 -5.058 -7.234 -6.884 718 HA3 GLY 94 HA3 GLY 94 -4.075 -6.201 -5.853 719 H TRP 95 H TRP 95 -6.132 -4.503 -4.719 720 HA TRP 95 HA TRP 95 -6.910 -6.158 -2.551 721 HB2 TRP 95 HB2 TRP 95 -6.689 -3.774 -2.302 722 HB3 TRP 95 HB3 TRP 95 -8.107 -3.514 -3.310 723 HD1 TRP 95 HD1 TRP 95 -9.955 -2.842 -1.816 724 HE1 TRP 95 HE1 TRP 95 -10.968 -3.565 0.440 725 HE3 TRP 95 HE3 TRP 95 -6.721 -6.604 -0.566 726 HZ2 TRP 95 HZ2 TRP 95 -10.366 -5.398 2.580 727 HZ3 TRP 95 HZ3 TRP 95 -6.999 -7.852 1.544 728 HH2 TRP 95 HH2 TRP 95 -8.764 -7.186 3.173 729 H LYS 96 H LYS 96 -8.724 -4.634 -5.244 730 HA LYS 96 HA LYS 96 -11.257 -5.846 -4.834 731 HB2 LYS 96 HB2 LYS 96 -10.963 -3.825 -6.120 732 HB3 LYS 96 HB3 LYS 96 -9.988 -4.663 -7.340 733 HG2 LYS 96 HG2 LYS 96 -11.882 -5.939 -8.102 734 HG3 LYS 96 HG3 LYS 96 -12.878 -5.414 -6.729 735 HD2 LYS 96 HD2 LYS 96 -12.894 -3.124 -7.531 736 HD3 LYS 96 HD3 LYS 96 -11.774 -3.515 -8.850 737 HE2 LYS 96 HE2 LYS 96 -14.479 -4.882 -8.524 738 HE3 LYS 96 HE3 LYS 96 -14.274 -3.365 -9.422 739 HZ1 LYS 96 HZ1 LYS 96 -12.848 -5.876 -10.072 740 HZ2 LYS 96 HZ2 LYS 96 -12.762 -4.463 -10.904 741 HZ3 LYS 96 HZ3 LYS 96 -14.162 -5.321 -10.859 742 H LYS 97 H LYS 97 -8.401 -7.090 -6.454 743 HA LYS 97 HA LYS 97 -9.418 -9.122 -8.068 744 HB2 LYS 97 HB2 LYS 97 -6.951 -8.174 -7.161 745 HB3 LYS 97 HB3 LYS 97 -6.960 -9.776 -6.507 746 HG2 LYS 97 HG2 LYS 97 -7.515 -9.210 -9.447 747 HG3 LYS 97 HG3 LYS 97 -5.880 -9.209 -8.776 748 HD2 LYS 97 HD2 LYS 97 -6.458 -11.548 -7.794 749 HD3 LYS 97 HD3 LYS 97 -7.803 -11.536 -8.970 750 HE2 LYS 97 HE2 LYS 97 -6.116 -11.027 -10.768 751 HE3 LYS 97 HE3 LYS 97 -4.829 -11.082 -9.551 752 HZ1 LYS 97 HZ1 LYS 97 -4.991 -13.171 -10.659 753 HZ2 LYS 97 HZ2 LYS 97 -6.602 -13.305 -10.320 754 HZ3 LYS 97 HZ3 LYS 97 -5.451 -13.360 -9.106 755 H ALA 98 H ALA 98 -8.713 -9.122 -4.552 756 HA ALA 98 HA ALA 98 -9.472 -11.891 -4.127 757 HB1 ALA 98 HB1 ALA 98 -9.115 -9.514 -2.240 758 HB2 ALA 98 HB2 ALA 98 -9.381 -11.182 -1.733 759 HB3 ALA 98 HB3 ALA 98 -7.913 -10.765 -2.626 760 H GLY 99 H GLY 99 -11.329 -9.131 -4.826 761 HA2 GLY 99 HA2 GLY 99 -13.571 -8.917 -5.002 762 HA3 GLY 99 HA3 GLY 99 -13.809 -10.413 -4.075 763 H LEU 100 H LEU 100 -11.681 -8.274 -2.418 764 HA LEU 100 HA LEU 100 -13.748 -7.748 -0.426 765 HB2 LEU 100 HB2 LEU 100 -10.746 -7.316 -0.588 766 HB3 LEU 100 HB3 LEU 100 -11.710 -6.817 0.797 767 HG LEU 100 HG LEU 100 -11.820 -9.696 -0.141 768 HD11 LEU 100 HD11 LEU 100 -9.947 -10.350 1.103 769 HD12 LEU 100 HD12 LEU 100 -9.871 -8.825 1.991 770 HD13 LEU 100 HD13 LEU 100 -9.382 -8.873 0.300 771 HD21 LEU 100 HD21 LEU 100 -13.461 -8.866 1.565 772 HD22 LEU 100 HD22 LEU 100 -12.109 -8.378 2.600 773 HD23 LEU 100 HD23 LEU 100 -12.358 -10.094 2.232 774 HA PRO 101 HA PRO 101 -13.984 -3.453 -1.854 775 HB2 PRO 101 HB2 PRO 101 -15.711 -2.431 -0.086 776 HB3 PRO 101 HB3 PRO 101 -16.235 -3.787 -1.140 777 HG2 PRO 101 HG2 PRO 101 -15.200 -3.935 1.704 778 HG3 PRO 101 HG3 PRO 101 -16.679 -4.673 1.073 779 HD2 PRO 101 HD2 PRO 101 -14.259 -6.004 1.298 780 HD3 PRO 101 HD3 PRO 101 -15.474 -6.400 0.039 781 H VAL 102 H VAL 102 -13.167 -1.309 -1.110 782 HA VAL 102 HA VAL 102 -10.996 -1.438 0.801 783 HB VAL 102 HB VAL 102 -11.030 1.080 0.112 784 HG11 VAL 102 HG11 VAL 102 -10.778 -0.881 -2.193 785 HG12 VAL 102 HG12 VAL 102 -9.986 0.685 -2.006 786 HG13 VAL 102 HG13 VAL 102 -9.540 -0.648 -0.933 787 HG21 VAL 102 HG21 VAL 102 -13.518 0.884 -0.655 788 HG22 VAL 102 HG22 VAL 102 -12.411 1.781 -1.705 789 HG23 VAL 102 HG23 VAL 102 -12.882 0.158 -2.134 790 H ALA 103 H ALA 103 -10.960 0.704 2.368 791 HA ALA 103 HA ALA 103 -13.285 0.401 4.142 792 HB1 ALA 103 HB1 ALA 103 -10.881 2.250 4.456 793 HB2 ALA 103 HB2 ALA 103 -12.079 1.820 5.668 794 HB3 ALA 103 HB3 ALA 103 -10.952 0.581 5.077 795 H VAL 104 H VAL 104 -14.838 1.156 2.557 796 HA VAL 104 HA VAL 104 -14.569 3.922 1.595 797 HB VAL 104 HB VAL 104 -17.040 3.201 0.737 798 HG11 VAL 104 HG11 VAL 104 -15.726 2.394 -1.360 799 HG12 VAL 104 HG12 VAL 104 -15.536 4.055 -0.762 800 HG13 VAL 104 HG13 VAL 104 -14.294 2.858 -0.418 801 HG21 VAL 104 HG21 VAL 104 -15.601 0.533 0.604 802 HG22 VAL 104 HG22 VAL 104 -16.921 0.902 1.743 803 HG23 VAL 104 HG23 VAL 104 -17.203 0.951 -0.004 804 H ASN 105 H ASN 105 -16.065 5.420 1.893 805 HA ASN 105 HA ASN 105 -17.212 6.855 3.015 806 HB2 ASN 105 HB2 ASN 105 -19.054 5.460 2.260 807 HB3 ASN 105 HB3 ASN 105 -18.960 4.516 3.750 808 HD21 ASN 105 HD21 ASN 105 -18.603 8.150 3.502 809 HD22 ASN 105 HD22 ASN 105 -20.068 8.442 4.388 810 H LYS 106 H LYS 106 -15.568 7.443 4.342 811 HA LYS 106 HA LYS 106 -14.662 8.186 6.222 812 HB2 LYS 106 HB2 LYS 106 -17.402 7.547 7.109 813 HB3 LYS 106 HB3 LYS 106 -16.267 7.393 8.408 814 HG2 LYS 106 HG2 LYS 106 -17.192 9.583 8.403 815 HG3 LYS 106 HG3 LYS 106 -15.468 9.705 8.017 816 HD2 LYS 106 HD2 LYS 106 -15.940 10.238 5.720 817 HD3 LYS 106 HD3 LYS 106 -17.605 9.636 5.846 818 HE2 LYS 106 HE2 LYS 106 -17.589 12.085 5.831 819 HE3 LYS 106 HE3 LYS 106 -18.235 11.444 7.342 820 HZ1 LYS 106 HZ1 LYS 106 -15.513 12.519 6.949 821 HZ2 LYS 106 HZ2 LYS 106 -16.075 11.931 8.383 822 HZ3 LYS 106 HZ3 LYS 106 -16.721 13.282 7.720 823 H SER 107 H SER 107 -14.064 7.468 8.612 824 HA SER 107 HA SER 107 -12.370 5.121 8.249 825 HB2 SER 107 HB2 SER 107 -11.936 7.581 9.294 826 HB3 SER 107 HB3 SER 107 -12.472 6.772 10.764 827 HG SER 107 HG SER 107 -10.753 5.388 10.608 828 H GLN 108 H GLN 108 -15.637 5.388 9.194 829 HA GLN 108 HA GLN 108 -15.479 2.986 10.780 830 HB2 GLN 108 HB2 GLN 108 -15.121 5.006 12.369 831 HB3 GLN 108 HB3 GLN 108 -16.746 5.528 11.918 832 HG2 GLN 108 HG2 GLN 108 -17.702 3.483 12.869 833 HG3 GLN 108 HG3 GLN 108 -16.072 2.824 13.115 834 HE21 GLN 108 HE21 GLN 108 -16.295 2.586 15.369 835 HE22 GLN 108 HE22 GLN 108 -16.283 3.926 16.469 Start of MODEL 11 1 H ALA 1 H ALA 1 14.347 -6.933 -6.293 2 HA ALA 1 HA ALA 1 13.567 -9.057 -5.470 3 HB1 ALA 1 HB1 ALA 1 14.331 -9.937 -3.352 4 HB2 ALA 1 HB2 ALA 1 15.691 -9.731 -4.469 5 HB3 ALA 1 HB3 ALA 1 15.450 -8.573 -3.136 6 H LEU 2 H LEU 2 11.562 -8.565 -4.996 7 HA LEU 2 HA LEU 2 10.861 -6.822 -2.756 8 HB2 LEU 2 HB2 LEU 2 9.836 -6.316 -5.593 9 HB3 LEU 2 HB3 LEU 2 9.157 -5.643 -4.121 10 HG LEU 2 HG LEU 2 11.826 -4.918 -3.873 11 HD11 LEU 2 HD11 LEU 2 12.519 -3.980 -6.052 12 HD12 LEU 2 HD12 LEU 2 11.115 -4.751 -6.831 13 HD13 LEU 2 HD13 LEU 2 12.391 -5.740 -6.124 14 HD21 LEU 2 HD21 LEU 2 10.221 -3.394 -3.342 15 HD22 LEU 2 HD22 LEU 2 9.453 -3.416 -4.962 16 HD23 LEU 2 HD23 LEU 2 11.047 -2.667 -4.691 17 H THR 3 H THR 3 9.142 -8.156 -5.561 18 HA THR 3 HA THR 3 8.132 -10.092 -5.948 19 HB THR 3 HB THR 3 8.077 -10.663 -2.977 20 HG1 THR 3 HG1 THR 3 9.743 -11.908 -3.345 21 HG21 THR 3 HG21 THR 3 6.236 -11.762 -3.860 22 HG22 THR 3 HG22 THR 3 7.506 -12.974 -3.669 23 HG23 THR 3 HG23 THR 3 7.141 -12.340 -5.294 24 H THR 4 H THR 4 6.108 -10.290 -6.501 25 HA THR 4 HA THR 4 4.104 -8.391 -5.488 26 HB THR 4 HB THR 4 2.804 -9.366 -7.470 27 HG1 THR 4 HG1 THR 4 3.646 -10.984 -8.468 28 HG21 THR 4 HG21 THR 4 4.083 -8.175 -9.154 29 HG22 THR 4 HG22 THR 4 5.542 -8.171 -8.135 30 HG23 THR 4 HG23 THR 4 4.101 -7.249 -7.650 31 H ILE 5 H ILE 5 2.131 -9.133 -4.510 32 HA ILE 5 HA ILE 5 1.976 -12.028 -3.919 33 HB ILE 5 HB ILE 5 3.148 -11.272 -2.085 34 HG12 ILE 5 HG12 ILE 5 0.382 -11.011 -0.917 35 HG13 ILE 5 HG13 ILE 5 0.913 -12.531 -1.662 36 HG21 ILE 5 HG21 ILE 5 2.645 -9.304 -0.677 37 HG22 ILE 5 HG22 ILE 5 3.179 -8.934 -2.299 38 HG23 ILE 5 HG23 ILE 5 1.443 -8.791 -1.899 39 HD11 ILE 5 HD11 ILE 5 2.351 -11.131 0.592 40 HD12 ILE 5 HD12 ILE 5 1.347 -12.568 0.746 41 HD13 ILE 5 HD13 ILE 5 2.854 -12.650 -0.182 42 H SER 6 H SER 6 -0.054 -12.818 -3.594 43 HA SER 6 HA SER 6 -2.081 -11.540 -5.075 44 HB2 SER 6 HB2 SER 6 -3.452 -13.472 -4.268 45 HB3 SER 6 HB3 SER 6 -1.869 -13.985 -4.884 46 HG SER 6 HG SER 6 -2.182 -15.003 -2.903 47 HA PRO 7 HA PRO 7 -3.894 -8.979 -1.970 48 HB2 PRO 7 HB2 PRO 7 -6.559 -8.986 -2.649 49 HB3 PRO 7 HB3 PRO 7 -5.258 -8.185 -3.580 50 HG2 PRO 7 HG2 PRO 7 -6.464 -10.929 -4.098 51 HG3 PRO 7 HG3 PRO 7 -6.190 -9.608 -5.283 52 HD2 PRO 7 HD2 PRO 7 -4.431 -11.590 -5.070 53 HD3 PRO 7 HD3 PRO 7 -3.879 -9.902 -5.291 54 H HIS 8 H HIS 8 -5.072 -12.197 -2.406 55 HA HIS 8 HA HIS 8 -6.663 -12.394 0.001 56 HB2 HIS 8 HB2 HIS 8 -7.043 -13.749 -2.070 57 HB3 HIS 8 HB3 HIS 8 -5.537 -14.616 -1.749 58 HD1 HIS 8 HD1 HIS 8 -8.271 -13.770 0.945 59 HD2 HIS 8 HD2 HIS 8 -6.457 -16.961 -1.162 60 HE1 HIS 8 HE1 HIS 8 -9.204 -15.906 1.927 61 H ASP 9 H ASP 9 -3.227 -13.297 -0.884 62 HA ASP 9 HA ASP 9 -2.757 -14.485 1.760 63 HB2 ASP 9 HB2 ASP 9 -0.946 -13.647 -0.522 64 HB3 ASP 9 HB3 ASP 9 -0.303 -13.950 1.091 65 H ALA 10 H ALA 10 -2.353 -11.361 0.105 66 HA ALA 10 HA ALA 10 -1.107 -9.954 2.187 67 HB1 ALA 10 HB1 ALA 10 -1.204 -9.129 -0.127 68 HB2 ALA 10 HB2 ALA 10 -2.965 -9.029 -0.036 69 HB3 ALA 10 HB3 ALA 10 -1.961 -7.934 0.950 70 H GLN 11 H GLN 11 -4.554 -10.617 1.713 71 HA GLN 11 HA GLN 11 -5.682 -8.821 3.580 72 HB2 GLN 11 HB2 GLN 11 -6.961 -10.050 1.909 73 HB3 GLN 11 HB3 GLN 11 -6.468 -11.593 2.602 74 HG2 GLN 11 HG2 GLN 11 -7.744 -11.027 4.664 75 HG3 GLN 11 HG3 GLN 11 -8.294 -9.544 3.876 76 HE21 GLN 11 HE21 GLN 11 -10.336 -11.054 4.760 77 HE22 GLN 11 HE22 GLN 11 -11.045 -11.966 3.455 78 H GLU 12 H GLU 12 -3.620 -11.688 4.181 79 HA GLU 12 HA GLU 12 -4.671 -11.986 6.896 80 HB2 GLU 12 HB2 GLU 12 -4.251 -14.018 5.726 81 HB3 GLU 12 HB3 GLU 12 -2.646 -13.490 5.187 82 HG2 GLU 12 HG2 GLU 12 -1.740 -13.568 7.394 83 HG3 GLU 12 HG3 GLU 12 -3.358 -13.664 8.081 84 H LEU 13 H LEU 13 -1.427 -11.717 5.499 85 HA LEU 13 HA LEU 13 -0.003 -10.982 7.707 86 HB2 LEU 13 HB2 LEU 13 1.708 -10.097 6.150 87 HB3 LEU 13 HB3 LEU 13 1.035 -11.673 5.749 88 HG LEU 13 HG LEU 13 -0.558 -10.386 4.155 89 HD11 LEU 13 HD11 LEU 13 0.172 -8.045 4.772 90 HD12 LEU 13 HD12 LEU 13 0.348 -8.464 3.103 91 HD13 LEU 13 HD13 LEU 13 1.782 -8.458 4.179 92 HD21 LEU 13 HD21 LEU 13 2.380 -10.785 3.531 93 HD22 LEU 13 HD22 LEU 13 1.074 -10.568 2.345 94 HD23 LEU 13 HD23 LEU 13 1.083 -11.996 3.397 95 H ILE 14 H ILE 14 -1.829 -8.664 5.698 96 HA ILE 14 HA ILE 14 -0.860 -6.320 6.910 97 HB ILE 14 HB ILE 14 -2.995 -7.198 5.136 98 HG12 ILE 14 HG12 ILE 14 -1.919 -4.412 5.363 99 HG13 ILE 14 HG13 ILE 14 -0.864 -5.746 4.886 100 HG21 ILE 14 HG21 ILE 14 -4.598 -5.345 5.381 101 HG22 ILE 14 HG22 ILE 14 -4.690 -6.626 6.590 102 HG23 ILE 14 HG23 ILE 14 -3.939 -5.070 7.011 103 HD11 ILE 14 HD11 ILE 14 -3.438 -5.021 3.445 104 HD12 ILE 14 HD12 ILE 14 -1.774 -4.692 2.899 105 HD13 ILE 14 HD13 ILE 14 -2.345 -6.368 3.036 106 H ALA 15 H ALA 15 -3.735 -8.269 7.879 107 HA ALA 15 HA ALA 15 -4.367 -6.553 10.067 108 HB1 ALA 15 HB1 ALA 15 -4.973 -9.520 9.631 109 HB2 ALA 15 HB2 ALA 15 -5.783 -8.456 10.802 110 HB3 ALA 15 HB3 ALA 15 -5.968 -8.163 9.065 111 H ARG 16 H ARG 16 -2.026 -9.067 9.631 112 HA ARG 16 HA ARG 16 -1.653 -9.530 12.514 113 HB2 ARG 16 HB2 ARG 16 0.171 -10.448 10.261 114 HB3 ARG 16 HB3 ARG 16 0.116 -11.023 11.931 115 HG2 ARG 16 HG2 ARG 16 -2.354 -11.653 11.464 116 HG3 ARG 16 HG3 ARG 16 -1.975 -11.400 9.761 117 HD2 ARG 16 HD2 ARG 16 -0.145 -13.081 9.917 118 HD3 ARG 16 HD3 ARG 16 -0.511 -13.272 11.645 119 HE ARG 16 HE ARG 16 -2.688 -13.848 9.751 120 HH11 ARG 16 HH11 ARG 16 -0.039 -15.168 11.662 121 HH12 ARG 16 HH12 ARG 16 -0.663 -16.769 11.787 122 HH21 ARG 16 HH21 ARG 16 -3.322 -16.174 9.515 123 HH22 ARG 16 HH22 ARG 16 -2.661 -17.277 10.657 124 H GLY 17 H GLY 17 0.260 -7.812 9.981 125 HA2 GLY 17 HA2 GLY 17 0.991 -5.728 11.737 126 HA3 GLY 17 HA3 GLY 17 2.253 -6.947 11.866 127 H ALA 18 H ALA 18 1.567 -7.361 8.688 128 HA ALA 18 HA ALA 18 3.833 -5.884 7.781 129 HB1 ALA 18 HB1 ALA 18 2.954 -7.876 6.641 130 HB2 ALA 18 HB2 ALA 18 1.470 -6.976 6.225 131 HB3 ALA 18 HB3 ALA 18 3.036 -6.487 5.536 132 H LYS 19 H LYS 19 3.982 -3.719 7.129 133 HA LYS 19 HA LYS 19 1.513 -2.074 7.299 134 HB2 LYS 19 HB2 LYS 19 4.425 -1.574 7.672 135 HB3 LYS 19 HB3 LYS 19 3.528 -0.275 6.893 136 HG2 LYS 19 HG2 LYS 19 3.594 -0.017 9.362 137 HG3 LYS 19 HG3 LYS 19 1.962 -0.100 8.692 138 HD2 LYS 19 HD2 LYS 19 2.168 -2.684 9.325 139 HD3 LYS 19 HD3 LYS 19 3.399 -2.100 10.439 140 HE2 LYS 19 HE2 LYS 19 1.682 -0.650 11.473 141 HE3 LYS 19 HE3 LYS 19 0.524 -1.103 10.209 142 HZ1 LYS 19 HZ1 LYS 19 1.704 -3.023 12.139 143 HZ2 LYS 19 HZ2 LYS 19 0.490 -3.324 11.043 144 HZ3 LYS 19 HZ3 LYS 19 0.222 -2.322 12.280 145 H LEU 20 H LEU 20 0.521 -0.948 5.598 146 HA LEU 20 HA LEU 20 1.660 -1.500 2.913 147 HB2 LEU 20 HB2 LEU 20 -0.479 -2.574 3.418 148 HB3 LEU 20 HB3 LEU 20 -1.180 -1.026 3.858 149 HG LEU 20 HG LEU 20 -0.940 -0.234 1.514 150 HD11 LEU 20 HD11 LEU 20 -0.489 -1.930 -0.273 151 HD12 LEU 20 HD12 LEU 20 0.019 -3.059 0.978 152 HD13 LEU 20 HD13 LEU 20 0.939 -1.552 0.700 153 HD21 LEU 20 HD21 LEU 20 -2.948 -1.483 2.422 154 HD22 LEU 20 HD22 LEU 20 -2.322 -2.943 1.684 155 HD23 LEU 20 HD23 LEU 20 -2.753 -1.582 0.649 156 H ILE 21 H ILE 21 2.060 0.253 1.550 157 HA ILE 21 HA ILE 21 1.682 2.984 2.705 158 HB ILE 21 HB ILE 21 3.659 2.137 0.560 159 HG12 ILE 21 HG12 ILE 21 4.327 0.831 2.458 160 HG13 ILE 21 HG13 ILE 21 5.441 2.163 2.227 161 HG21 ILE 21 HG21 ILE 21 3.188 4.570 0.700 162 HG22 ILE 21 HG22 ILE 21 3.615 4.541 2.417 163 HG23 ILE 21 HG23 ILE 21 4.850 4.198 1.184 164 HD11 ILE 21 HD11 ILE 21 3.204 2.201 4.295 165 HD12 ILE 21 HD12 ILE 21 4.847 1.673 4.622 166 HD13 ILE 21 HD13 ILE 21 4.558 3.348 4.125 167 H ASP 22 H ASP 22 0.535 4.442 1.726 168 HA ASP 22 HA ASP 22 -0.802 3.873 -0.843 169 HB2 ASP 22 HB2 ASP 22 -1.132 5.915 1.400 170 HB3 ASP 22 HB3 ASP 22 -1.820 6.193 -0.179 171 H ILE 23 H ILE 23 1.011 4.231 -2.359 172 HA ILE 23 HA ILE 23 2.243 6.961 -2.257 173 HB ILE 23 HB ILE 23 3.765 6.183 -3.950 174 HG12 ILE 23 HG12 ILE 23 3.243 3.257 -3.609 175 HG13 ILE 23 HG13 ILE 23 2.015 4.092 -4.533 176 HG21 ILE 23 HG21 ILE 23 3.781 4.294 -1.568 177 HG22 ILE 23 HG22 ILE 23 5.163 4.814 -2.572 178 HG23 ILE 23 HG23 ILE 23 4.326 5.984 -1.543 179 HD11 ILE 23 HD11 ILE 23 3.793 3.243 -5.974 180 HD12 ILE 23 HD12 ILE 23 3.575 5.003 -6.072 181 HD13 ILE 23 HD13 ILE 23 4.956 4.327 -5.153 182 H ARG 24 H ARG 24 -0.170 7.534 -2.712 183 HA ARG 24 HA ARG 24 -0.482 7.840 -5.654 184 HB2 ARG 24 HB2 ARG 24 -3.051 7.528 -5.013 185 HB3 ARG 24 HB3 ARG 24 -2.012 6.213 -5.541 186 HG2 ARG 24 HG2 ARG 24 -1.793 5.232 -3.483 187 HG3 ARG 24 HG3 ARG 24 -2.217 6.719 -2.600 188 HD2 ARG 24 HD2 ARG 24 -4.561 6.270 -4.005 189 HD3 ARG 24 HD3 ARG 24 -4.027 4.632 -3.647 190 HE ARG 24 HE ARG 24 -3.830 6.359 -1.326 191 HH11 ARG 24 HH11 ARG 24 -6.381 4.749 -3.274 192 HH12 ARG 24 HH12 ARG 24 -7.512 4.844 -1.959 193 HH21 ARG 24 HH21 ARG 24 -5.214 5.860 0.437 194 HH22 ARG 24 HH22 ARG 24 -6.915 5.656 0.103 195 H ASP 25 H ASP 25 -2.827 8.909 -3.149 196 HA ASP 25 HA ASP 25 -1.772 11.561 -3.016 197 HB2 ASP 25 HB2 ASP 25 -3.033 11.318 -5.330 198 HB3 ASP 25 HB3 ASP 25 -4.480 11.304 -4.334 199 H ALA 26 H ALA 26 -3.470 12.866 -1.753 200 HA ALA 26 HA ALA 26 -4.527 11.270 0.497 201 HB1 ALA 26 HB1 ALA 26 -3.072 13.310 0.788 202 HB2 ALA 26 HB2 ALA 26 -4.370 14.292 0.075 203 HB3 ALA 26 HB3 ALA 26 -4.653 13.434 1.604 204 H ASP 27 H ASP 27 -5.584 13.157 -2.310 205 HA ASP 27 HA ASP 27 -8.271 13.728 -1.532 206 HB2 ASP 27 HB2 ASP 27 -6.943 13.256 -4.238 207 HB3 ASP 27 HB3 ASP 27 -8.636 13.706 -4.074 208 H GLU 28 H GLU 28 -6.702 10.827 -2.542 209 HA GLU 28 HA GLU 28 -8.987 9.297 -3.415 210 HB2 GLU 28 HB2 GLU 28 -6.241 8.452 -2.375 211 HB3 GLU 28 HB3 GLU 28 -7.375 7.403 -3.231 212 HG2 GLU 28 HG2 GLU 28 -6.189 9.933 -4.454 213 HG3 GLU 28 HG3 GLU 28 -5.463 8.338 -4.601 214 H TYR 29 H TYR 29 -7.119 9.582 -0.415 215 HA TYR 29 HA TYR 29 -8.404 7.602 1.135 216 HB2 TYR 29 HB2 TYR 29 -6.197 8.602 1.601 217 HB3 TYR 29 HB3 TYR 29 -6.983 10.111 2.053 218 HD1 TYR 29 HD1 TYR 29 -6.615 6.501 2.969 219 HD2 TYR 29 HD2 TYR 29 -7.928 10.413 4.240 220 HE1 TYR 29 HE1 TYR 29 -6.971 5.633 5.250 221 HE2 TYR 29 HE2 TYR 29 -8.208 9.553 6.544 222 HH TYR 29 HH TYR 29 -8.449 7.613 7.827 223 H LEU 30 H LEU 30 -9.485 10.742 0.171 224 HA LEU 30 HA LEU 30 -11.275 11.323 2.342 225 HB2 LEU 30 HB2 LEU 30 -10.208 12.854 0.558 226 HB3 LEU 30 HB3 LEU 30 -11.434 12.255 -0.556 227 HG LEU 30 HG LEU 30 -11.924 13.736 2.051 228 HD11 LEU 30 HD11 LEU 30 -12.135 14.582 -0.877 229 HD12 LEU 30 HD12 LEU 30 -10.926 15.128 0.294 230 HD13 LEU 30 HD13 LEU 30 -12.624 15.565 0.522 231 HD21 LEU 30 HD21 LEU 30 -13.877 12.663 -0.021 232 HD22 LEU 30 HD22 LEU 30 -14.287 14.034 1.022 233 HD23 LEU 30 HD23 LEU 30 -13.924 12.482 1.753 234 H ARG 31 H ARG 31 -11.676 9.932 -0.954 235 HA ARG 31 HA ARG 31 -14.514 9.433 -0.615 236 HB2 ARG 31 HB2 ARG 31 -12.530 8.287 -2.647 237 HB3 ARG 31 HB3 ARG 31 -14.288 8.155 -2.735 238 HG2 ARG 31 HG2 ARG 31 -14.451 10.615 -2.932 239 HG3 ARG 31 HG3 ARG 31 -12.666 10.725 -2.907 240 HD2 ARG 31 HD2 ARG 31 -12.713 9.048 -4.868 241 HD3 ARG 31 HD3 ARG 31 -14.461 9.358 -4.942 242 HE ARG 31 HE ARG 31 -12.854 11.768 -4.976 243 HH11 ARG 31 HH11 ARG 31 -13.796 9.053 -7.047 244 HH12 ARG 31 HH12 ARG 31 -13.676 9.948 -8.533 245 HH21 ARG 31 HH21 ARG 31 -12.792 12.994 -6.887 246 HH22 ARG 31 HH22 ARG 31 -13.094 12.278 -8.428 247 H GLU 32 H GLU 32 -11.683 7.282 -0.835 248 HA GLU 32 HA GLU 32 -13.029 5.085 0.609 249 HB2 GLU 32 HB2 GLU 32 -11.579 5.156 -2.070 250 HB3 GLU 32 HB3 GLU 32 -11.968 3.682 -1.235 251 HG2 GLU 32 HG2 GLU 32 -14.136 3.729 -1.937 252 HG3 GLU 32 HG3 GLU 32 -14.328 5.447 -1.763 253 H HIS 33 H HIS 33 -10.876 3.279 0.314 254 HA HIS 33 HA HIS 33 -8.359 4.540 0.882 255 HB2 HIS 33 HB2 HIS 33 -9.297 4.907 3.018 256 HB3 HIS 33 HB3 HIS 33 -9.891 3.254 3.117 257 HD1 HIS 33 HD1 HIS 33 -8.606 2.992 5.490 258 HD2 HIS 33 HD2 HIS 33 -6.133 3.845 2.166 259 HE1 HIS 33 HE1 HIS 33 -6.240 2.408 6.168 260 H ILE 34 H ILE 34 -8.030 1.692 2.419 261 HA ILE 34 HA ILE 34 -8.191 -0.257 0.327 262 HB ILE 34 HB ILE 34 -6.081 1.515 0.114 263 HG12 ILE 34 HG12 ILE 34 -6.770 -0.917 -1.157 264 HG13 ILE 34 HG13 ILE 34 -6.005 0.539 -1.715 265 HG21 ILE 34 HG21 ILE 34 -5.164 1.066 2.264 266 HG22 ILE 34 HG22 ILE 34 -4.807 -0.581 1.893 267 HG23 ILE 34 HG23 ILE 34 -4.025 0.724 0.965 268 HD11 ILE 34 HD11 ILE 34 -4.577 -1.057 -2.430 269 HD12 ILE 34 HD12 ILE 34 -3.784 -0.514 -0.941 270 HD13 ILE 34 HD13 ILE 34 -4.667 -2.050 -1.016 271 HA PRO 35 HA PRO 35 -7.686 -2.868 3.949 272 HB2 PRO 35 HB2 PRO 35 -5.920 -4.879 3.344 273 HB3 PRO 35 HB3 PRO 35 -7.583 -4.733 2.753 274 HG2 PRO 35 HG2 PRO 35 -5.078 -4.265 1.190 275 HG3 PRO 35 HG3 PRO 35 -6.619 -4.728 0.632 276 HD2 PRO 35 HD2 PRO 35 -5.558 -2.156 0.733 277 HD3 PRO 35 HD3 PRO 35 -7.233 -2.577 0.225 278 H GLU 36 H GLU 36 -6.826 -1.270 5.273 279 HA GLU 36 HA GLU 36 -5.476 -0.280 6.715 280 HB2 GLU 36 HB2 GLU 36 -5.620 -2.771 7.204 281 HB3 GLU 36 HB3 GLU 36 -3.943 -2.837 6.689 282 HG2 GLU 36 HG2 GLU 36 -3.303 -1.268 8.502 283 HG3 GLU 36 HG3 GLU 36 -5.002 -0.986 8.884 284 H ALA 37 H ALA 37 -4.549 1.212 4.837 285 HA ALA 37 HA ALA 37 -1.585 0.898 4.859 286 HB1 ALA 37 HB1 ALA 37 -2.611 0.835 2.642 287 HB2 ALA 37 HB2 ALA 37 -3.357 2.425 2.939 288 HB3 ALA 37 HB3 ALA 37 -1.594 2.259 2.837 289 H ASP 38 H ASP 38 -0.730 3.291 4.320 290 HA ASP 38 HA ASP 38 -1.852 5.228 6.224 291 HB2 ASP 38 HB2 ASP 38 0.698 3.775 6.553 292 HB3 ASP 38 HB3 ASP 38 0.860 5.537 6.562 293 H LEU 39 H LEU 39 -1.559 7.301 5.530 294 HA LEU 39 HA LEU 39 -1.262 7.663 2.731 295 HB2 LEU 39 HB2 LEU 39 -2.830 8.926 4.087 296 HB3 LEU 39 HB3 LEU 39 -1.512 9.647 5.021 297 HG LEU 39 HG LEU 39 -0.723 10.827 2.977 298 HD11 LEU 39 HD11 LEU 39 -1.508 9.251 1.245 299 HD12 LEU 39 HD12 LEU 39 -2.144 10.871 0.951 300 HD13 LEU 39 HD13 LEU 39 -3.196 9.625 1.651 301 HD21 LEU 39 HD21 LEU 39 -2.567 12.428 2.853 302 HD22 LEU 39 HD22 LEU 39 -2.347 11.896 4.513 303 HD23 LEU 39 HD23 LEU 39 -3.689 11.246 3.549 304 H ALA 40 H ALA 40 0.531 7.923 1.541 305 HA ALA 40 HA ALA 40 2.703 9.633 2.413 306 HB1 ALA 40 HB1 ALA 40 3.270 7.544 3.611 307 HB2 ALA 40 HB2 ALA 40 3.074 6.639 2.096 308 HB3 ALA 40 HB3 ALA 40 4.374 7.834 2.254 309 HA PRO 41 HA PRO 41 1.893 9.141 -2.181 310 HB2 PRO 41 HB2 PRO 41 1.793 11.823 -2.847 311 HB3 PRO 41 HB3 PRO 41 0.383 10.858 -2.336 312 HG2 PRO 41 HG2 PRO 41 2.074 12.718 -0.675 313 HG3 PRO 41 HG3 PRO 41 0.293 12.567 -0.704 314 HD2 PRO 41 HD2 PRO 41 1.829 11.377 1.230 315 HD3 PRO 41 HD3 PRO 41 0.340 10.615 0.602 316 H LEU 42 H LEU 42 3.351 9.939 -3.985 317 HA LEU 42 HA LEU 42 6.044 9.542 -3.430 318 HB2 LEU 42 HB2 LEU 42 4.911 9.361 -5.647 319 HB3 LEU 42 HB3 LEU 42 4.832 11.129 -5.721 320 HG LEU 42 HG LEU 42 7.381 11.167 -5.631 321 HD11 LEU 42 HD11 LEU 42 8.561 9.069 -6.251 322 HD12 LEU 42 HD12 LEU 42 7.051 8.160 -6.079 323 HD13 LEU 42 HD13 LEU 42 7.809 8.928 -4.662 324 HD21 LEU 42 HD21 LEU 42 6.034 9.673 -7.911 325 HD22 LEU 42 HD22 LEU 42 7.615 10.478 -7.995 326 HD23 LEU 42 HD23 LEU 42 6.142 11.434 -7.719 327 H SER 43 H SER 43 4.209 12.558 -3.336 328 HA SER 43 HA SER 43 6.220 14.460 -3.282 329 HB2 SER 43 HB2 SER 43 3.541 14.361 -1.798 330 HB3 SER 43 HB3 SER 43 4.447 15.824 -2.199 331 HG SER 43 HG SER 43 4.213 15.399 -4.355 332 H VAL 44 H VAL 44 5.573 12.055 -0.880 333 HA VAL 44 HA VAL 44 7.093 13.519 1.212 334 HB VAL 44 HB VAL 44 5.397 10.992 1.408 335 HG11 VAL 44 HG11 VAL 44 7.047 11.447 3.255 336 HG12 VAL 44 HG12 VAL 44 6.213 12.990 3.534 337 HG13 VAL 44 HG13 VAL 44 5.340 11.468 3.757 338 HG21 VAL 44 HG21 VAL 44 4.548 13.887 1.862 339 HG22 VAL 44 HG22 VAL 44 3.864 12.744 0.691 340 HG23 VAL 44 HG23 VAL 44 3.627 12.477 2.417 341 H LEU 45 H LEU 45 6.914 10.423 -0.600 342 HA LEU 45 HA LEU 45 9.052 9.077 0.647 343 HB2 LEU 45 HB2 LEU 45 7.933 8.905 -2.162 344 HB3 LEU 45 HB3 LEU 45 9.194 7.863 -1.626 345 HG LEU 45 HG LEU 45 6.685 7.134 -1.607 346 HD11 LEU 45 HD11 LEU 45 7.199 5.431 0.131 347 HD12 LEU 45 HD12 LEU 45 8.589 6.392 0.658 348 HD13 LEU 45 HD13 LEU 45 8.546 5.671 -0.983 349 HD21 LEU 45 HD21 LEU 45 5.631 7.114 0.569 350 HD22 LEU 45 HD22 LEU 45 5.822 8.775 0.051 351 HD23 LEU 45 HD23 LEU 45 6.917 8.102 1.292 352 H GLU 46 H GLU 46 9.162 11.252 -2.272 353 HA GLU 46 HA GLU 46 11.980 10.784 -2.642 354 HB2 GLU 46 HB2 GLU 46 9.794 12.488 -3.832 355 HB3 GLU 46 HB3 GLU 46 11.445 12.839 -4.231 356 HG2 GLU 46 HG2 GLU 46 10.078 10.125 -4.525 357 HG3 GLU 46 HG3 GLU 46 10.146 11.329 -5.800 358 H GLN 47 H GLN 47 10.045 13.080 -0.776 359 HA GLN 47 HA GLN 47 12.155 15.040 -0.414 360 HB2 GLN 47 HB2 GLN 47 9.504 14.411 0.905 361 HB3 GLN 47 HB3 GLN 47 10.627 15.448 1.752 362 HG2 GLN 47 HG2 GLN 47 9.728 16.012 -1.087 363 HG3 GLN 47 HG3 GLN 47 8.878 16.604 0.335 364 HE21 GLN 47 HE21 GLN 47 10.165 18.020 1.868 365 HE22 GLN 47 HE22 GLN 47 11.282 19.148 1.091 366 H SER 48 H SER 48 11.373 11.923 1.033 367 HA SER 48 HA SER 48 13.930 11.949 2.406 368 HB2 SER 48 HB2 SER 48 12.470 13.265 4.035 369 HB3 SER 48 HB3 SER 48 11.524 11.784 4.275 370 HG SER 48 HG SER 48 13.078 11.594 5.794 371 H GLY 49 H GLY 49 10.683 10.306 2.630 372 HA2 GLY 49 HA2 GLY 49 10.862 8.050 1.427 373 HA3 GLY 49 HA3 GLY 49 12.174 7.717 2.561 374 H LEU 50 H LEU 50 10.924 5.937 3.108 375 HA LEU 50 HA LEU 50 8.385 5.830 4.211 376 HB2 LEU 50 HB2 LEU 50 9.755 3.946 3.345 377 HB3 LEU 50 HB3 LEU 50 10.860 4.133 4.697 378 HG LEU 50 HG LEU 50 8.874 3.635 6.257 379 HD11 LEU 50 HD11 LEU 50 7.062 4.065 4.564 380 HD12 LEU 50 HD12 LEU 50 7.007 2.428 5.200 381 HD13 LEU 50 HD13 LEU 50 7.678 2.734 3.587 382 HD21 LEU 50 HD21 LEU 50 9.118 1.183 5.801 383 HD22 LEU 50 HD22 LEU 50 10.668 2.018 5.731 384 HD23 LEU 50 HD23 LEU 50 9.797 1.561 4.241 385 HA PRO 51 HA PRO 51 9.434 7.805 8.201 386 HB2 PRO 51 HB2 PRO 51 6.973 7.625 9.387 387 HB3 PRO 51 HB3 PRO 51 7.349 8.836 8.106 388 HG2 PRO 51 HG2 PRO 51 5.901 6.189 7.883 389 HG3 PRO 51 HG3 PRO 51 5.498 7.746 7.100 390 HD2 PRO 51 HD2 PRO 51 6.844 5.704 5.846 391 HD3 PRO 51 HD3 PRO 51 7.115 7.408 5.423 392 H ALA 52 H ALA 52 9.617 7.194 10.420 393 HA ALA 52 HA ALA 52 10.219 4.559 11.000 394 HB1 ALA 52 HB1 ALA 52 10.182 5.206 13.367 395 HB2 ALA 52 HB2 ALA 52 10.991 6.428 12.373 396 HB3 ALA 52 HB3 ALA 52 9.333 6.712 12.958 397 H LYS 53 H LYS 53 7.052 6.227 11.302 398 HA LYS 53 HA LYS 53 5.630 4.416 12.784 399 HB2 LYS 53 HB2 LYS 53 4.681 6.561 12.082 400 HB3 LYS 53 HB3 LYS 53 4.785 6.105 10.372 401 HG2 LYS 53 HG2 LYS 53 3.167 4.380 10.636 402 HG3 LYS 53 HG3 LYS 53 3.182 4.539 12.393 403 HD2 LYS 53 HD2 LYS 53 2.035 6.708 12.235 404 HD3 LYS 53 HD3 LYS 53 2.205 6.647 10.461 405 HE2 LYS 53 HE2 LYS 53 -0.011 5.973 10.788 406 HE3 LYS 53 HE3 LYS 53 0.875 4.493 10.486 407 HZ1 LYS 53 HZ1 LYS 53 0.895 4.234 12.992 408 HZ2 LYS 53 HZ2 LYS 53 -0.536 4.054 12.234 409 HZ3 LYS 53 HZ3 LYS 53 -0.232 5.459 13.017 410 H LEU 54 H LEU 54 6.605 4.105 9.366 411 HA LEU 54 HA LEU 54 5.304 1.404 9.281 412 HB2 LEU 54 HB2 LEU 54 5.922 3.307 6.995 413 HB3 LEU 54 HB3 LEU 54 4.881 1.889 6.930 414 HG LEU 54 HG LEU 54 4.223 4.415 8.521 415 HD11 LEU 54 HD11 LEU 54 2.990 3.860 5.860 416 HD12 LEU 54 HD12 LEU 54 4.485 4.805 6.018 417 HD13 LEU 54 HD13 LEU 54 3.028 5.342 6.840 418 HD21 LEU 54 HD21 LEU 54 3.081 2.289 9.200 419 HD22 LEU 54 HD22 LEU 54 2.411 2.173 7.556 420 HD23 LEU 54 HD23 LEU 54 2.006 3.543 8.609 421 H ARG 55 H ARG 55 8.114 2.161 10.146 422 HA ARG 55 HA ARG 55 9.791 1.274 7.935 423 HB2 ARG 55 HB2 ARG 55 11.639 1.694 9.347 424 HB3 ARG 55 HB3 ARG 55 10.472 2.966 9.588 425 HG2 ARG 55 HG2 ARG 55 10.746 2.576 11.814 426 HG3 ARG 55 HG3 ARG 55 9.736 1.138 11.575 427 HD2 ARG 55 HD2 ARG 55 11.855 -0.146 11.100 428 HD3 ARG 55 HD3 ARG 55 12.779 1.314 11.455 429 HE ARG 55 HE ARG 55 11.235 0.968 13.689 430 HH11 ARG 55 HH11 ARG 55 13.313 -1.268 11.857 431 HH12 ARG 55 HH12 ARG 55 14.101 -1.956 13.225 432 HH21 ARG 55 HH21 ARG 55 12.206 -0.023 15.575 433 HH22 ARG 55 HH22 ARG 55 13.379 -1.292 15.404 434 H HIS 56 H HIS 56 7.836 -0.603 9.670 435 HA HIS 56 HA HIS 56 9.171 -2.692 10.839 436 HB2 HIS 56 HB2 HIS 56 6.548 -2.351 9.498 437 HB3 HIS 56 HB3 HIS 56 7.144 -3.993 9.397 438 HD1 HIS 56 HD1 HIS 56 5.137 -1.987 11.777 439 HD2 HIS 56 HD2 HIS 56 8.107 -5.000 11.945 440 HE1 HIS 56 HE1 HIS 56 4.985 -2.986 14.051 441 H GLU 57 H GLU 57 9.987 -4.718 10.256 442 HA GLU 57 HA GLU 57 11.751 -4.865 8.095 443 HB2 GLU 57 HB2 GLU 57 10.537 -6.717 10.106 444 HB3 GLU 57 HB3 GLU 57 11.431 -7.477 8.793 445 HG2 GLU 57 HG2 GLU 57 13.470 -6.559 9.432 446 HG3 GLU 57 HG3 GLU 57 12.713 -5.173 10.244 447 H GLN 58 H GLN 58 8.340 -5.410 7.928 448 HA GLN 58 HA GLN 58 8.581 -6.496 5.202 449 HB2 GLN 58 HB2 GLN 58 7.074 -7.721 7.542 450 HB3 GLN 58 HB3 GLN 58 6.533 -7.957 5.881 451 HG2 GLN 58 HG2 GLN 58 8.813 -8.876 5.300 452 HG3 GLN 58 HG3 GLN 58 9.307 -8.656 6.977 453 HE21 GLN 58 HE21 GLN 58 9.627 -11.171 6.021 454 HE22 GLN 58 HE22 GLN 58 8.445 -12.215 6.801 455 H ILE 59 H ILE 59 7.603 -4.945 4.012 456 HA ILE 59 HA ILE 59 5.040 -3.864 4.948 457 HB ILE 59 HB ILE 59 5.590 -1.873 5.288 458 HG12 ILE 59 HG12 ILE 59 6.959 -1.859 2.643 459 HG13 ILE 59 HG13 ILE 59 5.407 -1.173 3.110 460 HG21 ILE 59 HG21 ILE 59 8.521 -2.561 5.081 461 HG22 ILE 59 HG22 ILE 59 7.858 -1.131 5.857 462 HG23 ILE 59 HG23 ILE 59 7.421 -2.696 6.492 463 HD11 ILE 59 HD11 ILE 59 8.126 -0.132 3.837 464 HD12 ILE 59 HD12 ILE 59 6.849 0.648 2.893 465 HD13 ILE 59 HD13 ILE 59 6.605 0.354 4.632 466 H ILE 60 H ILE 60 3.948 -2.768 3.045 467 HA ILE 60 HA ILE 60 4.586 -4.059 0.469 468 HB ILE 60 HB ILE 60 1.843 -3.991 1.797 469 HG12 ILE 60 HG12 ILE 60 3.922 -6.159 1.540 470 HG13 ILE 60 HG13 ILE 60 3.000 -5.667 2.948 471 HG21 ILE 60 HG21 ILE 60 1.075 -5.322 -0.109 472 HG22 ILE 60 HG22 ILE 60 1.699 -3.812 -0.698 473 HG23 ILE 60 HG23 ILE 60 2.691 -5.280 -0.844 474 HD11 ILE 60 HD11 ILE 60 0.972 -6.710 2.009 475 HD12 ILE 60 HD12 ILE 60 1.906 -7.215 0.561 476 HD13 ILE 60 HD13 ILE 60 2.326 -7.866 2.129 477 H PHE 61 H PHE 61 3.610 -2.892 -1.307 478 HA PHE 61 HA PHE 61 3.021 -0.003 -0.746 479 HB2 PHE 61 HB2 PHE 61 5.036 -1.396 -2.493 480 HB3 PHE 61 HB3 PHE 61 4.255 0.044 -3.124 481 HD1 PHE 61 HD1 PHE 61 4.951 2.211 -2.541 482 HD2 PHE 61 HD2 PHE 61 6.223 -1.113 -0.111 483 HE1 PHE 61 HE1 PHE 61 6.554 3.675 -1.336 484 HE2 PHE 61 HE2 PHE 61 7.896 0.332 0.961 485 HZ PHE 61 HZ PHE 61 8.066 2.727 0.382 486 H HIS 62 H HIS 62 1.425 1.005 -2.005 487 HA HIS 62 HA HIS 62 0.030 -0.489 -4.130 488 HB2 HIS 62 HB2 HIS 62 -1.605 -1.021 -2.644 489 HB3 HIS 62 HB3 HIS 62 -0.898 -0.024 -1.386 490 HD1 HIS 62 HD1 HIS 62 -2.327 2.100 -0.607 491 HD2 HIS 62 HD2 HIS 62 -3.395 0.451 -4.361 492 HE1 HIS 62 HE1 HIS 62 -4.357 3.227 -1.320 493 H CYS 63 H CYS 63 -1.323 0.921 -5.460 494 HA CYS 63 HA CYS 63 -1.142 3.788 -5.115 495 HB2 CYS 63 HB2 CYS 63 0.867 3.023 -6.453 496 HB3 CYS 63 HB3 CYS 63 -0.287 2.499 -7.715 497 HG CYS 63 HG CYS 63 0.495 5.446 -6.487 498 H GLN 64 H GLN 64 -2.554 4.799 -6.799 499 HA GLN 64 HA GLN 64 -5.119 4.442 -6.596 500 HB2 GLN 64 HB2 GLN 64 -3.839 5.285 -9.226 501 HB3 GLN 64 HB3 GLN 64 -5.494 5.588 -8.748 502 HG2 GLN 64 HG2 GLN 64 -4.572 6.819 -6.708 503 HG3 GLN 64 HG3 GLN 64 -2.984 6.662 -7.454 504 HE21 GLN 64 HE21 GLN 64 -5.911 8.483 -7.439 505 HE22 GLN 64 HE22 GLN 64 -5.243 9.793 -8.409 506 H ALA 65 H ALA 65 -3.734 2.955 -9.603 507 HA ALA 65 HA ALA 65 -5.153 0.521 -9.371 508 HB1 ALA 65 HB1 ALA 65 -7.231 1.819 -9.731 509 HB2 ALA 65 HB2 ALA 65 -6.531 2.581 -11.177 510 HB3 ALA 65 HB3 ALA 65 -6.873 0.834 -11.130 511 H GLY 66 H GLY 66 -2.708 0.397 -9.964 512 HA2 GLY 66 HA2 GLY 66 -2.336 -0.600 -12.515 513 HA3 GLY 66 HA3 GLY 66 -2.027 1.128 -12.709 514 H LYS 67 H LYS 67 -1.215 -0.969 -9.937 515 HA LYS 67 HA LYS 67 0.728 -1.393 -8.833 516 HB2 LYS 67 HB2 LYS 67 1.832 -1.356 -11.640 517 HB3 LYS 67 HB3 LYS 67 2.845 -1.699 -10.248 518 HG2 LYS 67 HG2 LYS 67 1.665 -3.636 -9.653 519 HG3 LYS 67 HG3 LYS 67 0.346 -3.307 -10.773 520 HD2 LYS 67 HD2 LYS 67 3.188 -4.026 -11.534 521 HD3 LYS 67 HD3 LYS 67 1.773 -5.057 -11.657 522 HE2 LYS 67 HE2 LYS 67 2.290 -2.475 -13.212 523 HE3 LYS 67 HE3 LYS 67 2.403 -4.112 -13.856 524 HZ1 LYS 67 HZ1 LYS 67 -0.127 -3.047 -12.741 525 HZ2 LYS 67 HZ2 LYS 67 0.086 -4.398 -13.608 526 HZ3 LYS 67 HZ3 LYS 67 0.273 -2.904 -14.315 527 H ARG 68 H ARG 68 2.424 0.590 -11.214 528 HA ARG 68 HA ARG 68 3.478 2.615 -11.125 529 HB2 ARG 68 HB2 ARG 68 1.382 3.147 -9.411 530 HB3 ARG 68 HB3 ARG 68 2.729 3.269 -8.289 531 HG2 ARG 68 HG2 ARG 68 2.434 5.456 -9.029 532 HG3 ARG 68 HG3 ARG 68 3.756 4.889 -10.063 533 HD2 ARG 68 HD2 ARG 68 2.046 4.312 -11.822 534 HD3 ARG 68 HD3 ARG 68 0.770 4.905 -10.754 535 HE ARG 68 HE ARG 68 2.595 7.018 -11.012 536 HH11 ARG 68 HH11 ARG 68 0.533 5.170 -13.216 537 HH12 ARG 68 HH12 ARG 68 -0.101 6.553 -14.023 538 HH21 ARG 68 HH21 ARG 68 2.072 8.778 -12.239 539 HH22 ARG 68 HH22 ARG 68 1.012 8.680 -13.625 540 H THR 69 H THR 69 3.511 0.488 -8.355 541 HA THR 69 HA THR 69 5.837 1.042 -7.008 542 HB THR 69 HB THR 69 5.197 -1.340 -6.227 543 HG1 THR 69 HG1 THR 69 2.980 -1.894 -7.067 544 HG21 THR 69 HG21 THR 69 4.370 0.750 -5.151 545 HG22 THR 69 HG22 THR 69 3.187 -0.574 -5.086 546 HG23 THR 69 HG23 THR 69 2.962 0.750 -6.231 547 H SER 70 H SER 70 5.132 -1.773 -9.220 548 HA SER 70 HA SER 70 7.639 -2.786 -9.315 549 HB2 SER 70 HB2 SER 70 5.823 -2.643 -11.759 550 HB3 SER 70 HB3 SER 70 7.060 -3.861 -11.418 551 HG SER 70 HG SER 70 5.456 -4.899 -10.590 552 H ASN 71 H ASN 71 6.472 -0.090 -10.997 553 HA ASN 71 HA ASN 71 8.599 0.118 -13.023 554 HB2 ASN 71 HB2 ASN 71 6.055 1.290 -12.714 555 HB3 ASN 71 HB3 ASN 71 7.185 2.615 -12.532 556 HD21 ASN 71 HD21 ASN 71 7.749 3.549 -14.524 557 HD22 ASN 71 HD22 ASN 71 7.770 2.726 -16.057 558 H ASN 72 H ASN 72 8.376 1.396 -9.758 559 HA ASN 72 HA ASN 72 11.119 2.471 -10.173 560 HB2 ASN 72 HB2 ASN 72 8.935 3.922 -8.654 561 HB3 ASN 72 HB3 ASN 72 10.623 4.425 -8.839 562 HD21 ASN 72 HD21 ASN 72 11.240 4.210 -11.464 563 HD22 ASN 72 HD22 ASN 72 10.125 5.033 -12.505 564 H ALA 73 H ALA 73 10.061 0.012 -9.187 565 HA ALA 73 HA ALA 73 9.854 -0.305 -6.453 566 HB1 ALA 73 HB1 ALA 73 10.423 -2.630 -6.948 567 HB2 ALA 73 HB2 ALA 73 9.332 -1.994 -8.164 568 HB3 ALA 73 HB3 ALA 73 11.066 -2.174 -8.534 569 H ASP 74 H ASP 74 12.846 0.057 -8.401 570 HA ASP 74 HA ASP 74 14.555 -0.938 -6.286 571 HB2 ASP 74 HB2 ASP 74 15.353 0.912 -8.573 572 HB3 ASP 74 HB3 ASP 74 16.425 -0.037 -7.543 573 H LYS 75 H LYS 75 13.415 2.333 -7.244 574 HA LYS 75 HA LYS 75 14.935 3.700 -5.275 575 HB2 LYS 75 HB2 LYS 75 13.317 4.386 -7.464 576 HB3 LYS 75 HB3 LYS 75 12.351 4.945 -6.104 577 HG2 LYS 75 HG2 LYS 75 15.299 5.583 -6.557 578 HG3 LYS 75 HG3 LYS 75 13.960 6.643 -7.026 579 HD2 LYS 75 HD2 LYS 75 13.254 6.810 -4.668 580 HD3 LYS 75 HD3 LYS 75 14.531 5.691 -4.190 581 HE2 LYS 75 HE2 LYS 75 15.211 7.951 -3.676 582 HE3 LYS 75 HE3 LYS 75 16.274 7.243 -4.896 583 HZ1 LYS 75 HZ1 LYS 75 15.242 8.608 -6.559 584 HZ2 LYS 75 HZ2 LYS 75 15.526 9.577 -5.267 585 HZ3 LYS 75 HZ3 LYS 75 14.018 9.034 -5.532 586 H LEU 76 H LEU 76 11.556 2.526 -5.371 587 HA LEU 76 HA LEU 76 10.864 3.388 -2.742 588 HB2 LEU 76 HB2 LEU 76 9.746 1.076 -4.371 589 HB3 LEU 76 HB3 LEU 76 9.015 1.719 -2.902 590 HG LEU 76 HG LEU 76 9.443 3.302 -5.485 591 HD11 LEU 76 HD11 LEU 76 6.884 2.193 -4.276 592 HD12 LEU 76 HD12 LEU 76 7.744 1.537 -5.690 593 HD13 LEU 76 HD13 LEU 76 7.033 3.155 -5.767 594 HD21 LEU 76 HD21 LEU 76 7.923 4.982 -4.402 595 HD22 LEU 76 HD22 LEU 76 9.513 4.858 -3.650 596 HD23 LEU 76 HD23 LEU 76 8.112 4.093 -2.874 597 H ALA 77 H ALA 77 12.422 0.353 -3.828 598 HA ALA 77 HA ALA 77 12.294 -1.003 -1.331 599 HB1 ALA 77 HB1 ALA 77 14.336 -1.227 -3.593 600 HB2 ALA 77 HB2 ALA 77 14.198 -2.338 -2.214 601 HB3 ALA 77 HB3 ALA 77 12.868 -2.207 -3.376 602 H ALA 78 H ALA 78 14.939 0.957 -2.828 603 HA ALA 78 HA ALA 78 16.746 0.936 -0.701 604 HB1 ALA 78 HB1 ALA 78 16.136 3.100 -2.757 605 HB2 ALA 78 HB2 ALA 78 17.561 3.106 -1.718 606 HB3 ALA 78 HB3 ALA 78 17.329 1.780 -2.883 607 H ILE 79 H ILE 79 13.967 3.070 -1.194 608 HA ILE 79 HA ILE 79 14.385 4.875 0.980 609 HB ILE 79 HB ILE 79 12.293 4.136 -1.017 610 HG12 ILE 79 HG12 ILE 79 13.370 6.818 -0.037 611 HG13 ILE 79 HG13 ILE 79 14.083 5.851 -1.334 612 HG21 ILE 79 HG21 ILE 79 11.497 5.709 1.417 613 HG22 ILE 79 HG22 ILE 79 10.574 5.556 -0.091 614 HG23 ILE 79 HG23 ILE 79 10.836 4.132 0.891 615 HD11 ILE 79 HD11 ILE 79 11.338 7.155 -1.358 616 HD12 ILE 79 HD12 ILE 79 12.740 7.544 -2.357 617 HD13 ILE 79 HD13 ILE 79 11.896 5.986 -2.573 618 H ALA 80 H ALA 80 13.023 1.617 0.893 619 HA ALA 80 HA ALA 80 11.859 1.808 3.638 620 HB1 ALA 80 HB1 ALA 80 10.602 -0.003 2.915 621 HB2 ALA 80 HB2 ALA 80 10.502 1.214 1.641 622 HB3 ALA 80 HB3 ALA 80 11.575 -0.197 1.433 623 H ALA 81 H ALA 81 14.524 0.359 1.903 624 HA ALA 81 HA ALA 81 14.983 -2.007 3.200 625 HB1 ALA 81 HB1 ALA 81 17.377 -1.590 2.512 626 HB2 ALA 81 HB2 ALA 81 16.229 -1.193 1.240 627 HB3 ALA 81 HB3 ALA 81 16.972 0.110 2.207 628 HA PRO 82 HA PRO 82 17.183 -3.095 4.002 629 HB2 PRO 82 HB2 PRO 82 17.865 -4.632 6.126 630 HB3 PRO 82 HB3 PRO 82 18.840 -3.230 5.586 631 HG2 PRO 82 HG2 PRO 82 16.746 -3.277 7.779 632 HG3 PRO 82 HG3 PRO 82 18.424 -2.685 7.885 633 HD2 PRO 82 HD2 PRO 82 16.330 -1.021 7.388 634 HD3 PRO 82 HD3 PRO 82 17.922 -0.762 6.617 635 H ALA 83 H ALA 83 14.226 -2.474 5.355 636 HA ALA 83 HA ALA 83 13.203 -5.075 5.935 637 HB1 ALA 83 HB1 ALA 83 12.142 -2.939 6.668 638 HB2 ALA 83 HB2 ALA 83 11.843 -2.500 4.977 639 HB3 ALA 83 HB3 ALA 83 11.021 -3.891 5.683 640 H GLU 84 H GLU 84 11.603 -6.191 4.614 641 HA GLU 84 HA GLU 84 12.252 -6.262 1.744 642 HB2 GLU 84 HB2 GLU 84 10.910 -8.175 3.700 643 HB3 GLU 84 HB3 GLU 84 10.689 -8.361 1.956 644 HG2 GLU 84 HG2 GLU 84 13.434 -8.258 3.219 645 HG3 GLU 84 HG3 GLU 84 12.515 -9.740 3.014 646 H ILE 85 H ILE 85 10.941 -5.313 0.329 647 HA ILE 85 HA ILE 85 8.244 -4.444 1.228 648 HB ILE 85 HB ILE 85 10.407 -3.211 -0.458 649 HG12 ILE 85 HG12 ILE 85 9.832 -1.263 0.697 650 HG13 ILE 85 HG13 ILE 85 8.243 -1.828 1.094 651 HG21 ILE 85 HG21 ILE 85 8.548 -3.289 -2.111 652 HG22 ILE 85 HG22 ILE 85 7.434 -2.657 -0.933 653 HG23 ILE 85 HG23 ILE 85 8.783 -1.638 -1.514 654 HD11 ILE 85 HD11 ILE 85 10.780 -2.854 2.419 655 HD12 ILE 85 HD12 ILE 85 9.592 -1.738 3.131 656 HD13 ILE 85 HD13 ILE 85 9.109 -3.351 2.809 657 H PHE 86 H PHE 86 6.524 -5.200 0.323 658 HA PHE 86 HA PHE 86 6.828 -6.690 -2.220 659 HB2 PHE 86 HB2 PHE 86 4.669 -7.202 -0.153 660 HB3 PHE 86 HB3 PHE 86 5.146 -8.220 -1.488 661 HD1 PHE 86 HD1 PHE 86 5.915 -7.293 1.998 662 HD2 PHE 86 HD2 PHE 86 7.283 -9.448 -1.454 663 HE1 PHE 86 HE1 PHE 86 7.502 -8.522 3.415 664 HE2 PHE 86 HE2 PHE 86 8.916 -10.686 -0.035 665 HZ PHE 86 HZ PHE 86 9.037 -10.227 2.401 666 H LEU 87 H LEU 87 4.684 -6.999 -3.344 667 HA LEU 87 HA LEU 87 3.418 -4.300 -3.708 668 HB2 LEU 87 HB2 LEU 87 4.702 -6.261 -5.581 669 HB3 LEU 87 HB3 LEU 87 3.194 -5.524 -6.114 670 HG LEU 87 HG LEU 87 4.110 -3.295 -5.830 671 HD11 LEU 87 HD11 LEU 87 6.743 -4.651 -5.142 672 HD12 LEU 87 HD12 LEU 87 5.859 -3.419 -4.196 673 HD13 LEU 87 HD13 LEU 87 6.602 -2.981 -5.748 674 HD21 LEU 87 HD21 LEU 87 5.739 -5.258 -7.504 675 HD22 LEU 87 HD22 LEU 87 5.695 -3.500 -7.754 676 HD23 LEU 87 HD23 LEU 87 4.223 -4.456 -7.960 677 H LEU 88 H LEU 88 1.340 -4.346 -3.217 678 HA LEU 88 HA LEU 88 -0.181 -6.858 -3.071 679 HB2 LEU 88 HB2 LEU 88 -0.378 -4.747 -1.531 680 HB3 LEU 88 HB3 LEU 88 -1.364 -4.053 -2.781 681 HG LEU 88 HG LEU 88 -1.882 -6.742 -1.420 682 HD11 LEU 88 HD11 LEU 88 -3.131 -4.012 -0.886 683 HD12 LEU 88 HD12 LEU 88 -2.005 -4.883 0.177 684 HD13 LEU 88 HD13 LEU 88 -3.602 -5.552 -0.128 685 HD21 LEU 88 HD21 LEU 88 -4.221 -6.443 -2.268 686 HD22 LEU 88 HD22 LEU 88 -3.038 -6.706 -3.555 687 HD23 LEU 88 HD23 LEU 88 -3.657 -5.067 -3.243 688 H GLU 89 H GLU 89 0.095 -7.449 -5.298 689 HA GLU 89 HA GLU 89 -0.215 -7.454 -7.557 690 HB2 GLU 89 HB2 GLU 89 -2.249 -8.398 -6.466 691 HB3 GLU 89 HB3 GLU 89 -3.054 -6.838 -6.670 692 HG2 GLU 89 HG2 GLU 89 -2.780 -7.036 -9.141 693 HG3 GLU 89 HG3 GLU 89 -1.932 -8.552 -8.923 694 H ASP 90 H ASP 90 -2.802 -5.429 -8.142 695 HA ASP 90 HA ASP 90 -1.156 -3.248 -9.288 696 HB2 ASP 90 HB2 ASP 90 -3.702 -4.648 -9.940 697 HB3 ASP 90 HB3 ASP 90 -3.708 -2.899 -10.226 698 H GLY 91 H GLY 91 -2.390 -3.705 -6.403 699 HA2 GLY 91 HA2 GLY 91 -2.420 -2.061 -4.772 700 HA3 GLY 91 HA3 GLY 91 -2.887 -0.838 -5.977 701 H ILE 92 H ILE 92 -4.988 -0.484 -6.333 702 HA ILE 92 HA ILE 92 -6.915 -1.624 -4.481 703 HB ILE 92 HB ILE 92 -7.155 0.330 -6.778 704 HG12 ILE 92 HG12 ILE 92 -6.267 0.992 -4.490 705 HG13 ILE 92 HG13 ILE 92 -7.664 1.911 -5.053 706 HG21 ILE 92 HG21 ILE 92 -9.245 -0.833 -6.972 707 HG22 ILE 92 HG22 ILE 92 -9.459 -0.896 -5.224 708 HG23 ILE 92 HG23 ILE 92 -9.561 0.660 -6.062 709 HD11 ILE 92 HD11 ILE 92 -9.150 0.641 -3.576 710 HD12 ILE 92 HD12 ILE 92 -7.810 -0.376 -3.053 711 HD13 ILE 92 HD13 ILE 92 -7.812 1.359 -2.684 712 H ASP 93 H ASP 93 -6.403 -2.062 -7.977 713 HA ASP 93 HA ASP 93 -8.515 -3.752 -8.589 714 HB2 ASP 93 HB2 ASP 93 -6.933 -2.887 -10.233 715 HB3 ASP 93 HB3 ASP 93 -5.638 -3.808 -9.493 716 H GLY 94 H GLY 94 -5.597 -4.457 -6.775 717 HA2 GLY 94 HA2 GLY 94 -5.795 -7.328 -6.689 718 HA3 GLY 94 HA3 GLY 94 -4.821 -6.277 -5.627 719 H TRP 95 H TRP 95 -6.280 -4.842 -4.068 720 HA TRP 95 HA TRP 95 -7.447 -6.413 -2.111 721 HB2 TRP 95 HB2 TRP 95 -6.928 -4.137 -1.733 722 HB3 TRP 95 HB3 TRP 95 -8.163 -3.592 -2.862 723 HD1 TRP 95 HD1 TRP 95 -10.077 -2.653 -1.664 724 HE1 TRP 95 HE1 TRP 95 -11.397 -3.082 0.556 725 HE3 TRP 95 HE3 TRP 95 -7.635 -6.811 0.034 726 HZ2 TRP 95 HZ2 TRP 95 -11.112 -4.747 2.904 727 HZ3 TRP 95 HZ3 TRP 95 -8.090 -7.735 2.253 728 HH2 TRP 95 HH2 TRP 95 -9.779 -6.714 3.727 729 H LYS 96 H LYS 96 -9.096 -4.671 -4.796 730 HA LYS 96 HA LYS 96 -11.738 -5.480 -4.368 731 HB2 LYS 96 HB2 LYS 96 -10.884 -3.630 -5.872 732 HB3 LYS 96 HB3 LYS 96 -10.411 -4.857 -7.052 733 HG2 LYS 96 HG2 LYS 96 -12.769 -5.631 -7.205 734 HG3 LYS 96 HG3 LYS 96 -13.206 -4.473 -5.938 735 HD2 LYS 96 HD2 LYS 96 -12.433 -2.614 -7.519 736 HD3 LYS 96 HD3 LYS 96 -12.239 -3.864 -8.754 737 HE2 LYS 96 HE2 LYS 96 -14.405 -2.883 -9.087 738 HE3 LYS 96 HE3 LYS 96 -14.647 -4.508 -8.424 739 HZ1 LYS 96 HZ1 LYS 96 -15.040 -3.564 -6.292 740 HZ2 LYS 96 HZ2 LYS 96 -16.032 -2.792 -7.354 741 HZ3 LYS 96 HZ3 LYS 96 -14.717 -2.012 -6.852 742 H LYS 97 H LYS 97 -9.176 -7.120 -6.330 743 HA LYS 97 HA LYS 97 -10.776 -9.022 -7.574 744 HB2 LYS 97 HB2 LYS 97 -8.167 -8.555 -7.764 745 HB3 LYS 97 HB3 LYS 97 -8.049 -9.754 -6.471 746 HG2 LYS 97 HG2 LYS 97 -9.556 -11.227 -8.038 747 HG3 LYS 97 HG3 LYS 97 -9.156 -10.015 -9.257 748 HD2 LYS 97 HD2 LYS 97 -7.770 -11.947 -9.477 749 HD3 LYS 97 HD3 LYS 97 -6.754 -10.558 -9.013 750 HE2 LYS 97 HE2 LYS 97 -6.524 -11.387 -6.778 751 HE3 LYS 97 HE3 LYS 97 -7.858 -12.543 -6.984 752 HZ1 LYS 97 HZ1 LYS 97 -5.222 -12.674 -8.307 753 HZ2 LYS 97 HZ2 LYS 97 -6.447 -13.719 -8.604 754 HZ3 LYS 97 HZ3 LYS 97 -5.744 -13.656 -7.117 755 H ALA 98 H ALA 98 -9.464 -9.019 -4.275 756 HA ALA 98 HA ALA 98 -10.286 -11.729 -3.665 757 HB1 ALA 98 HB1 ALA 98 -8.391 -10.738 -2.526 758 HB2 ALA 98 HB2 ALA 98 -9.411 -9.425 -1.891 759 HB3 ALA 98 HB3 ALA 98 -9.663 -11.095 -1.349 760 H GLY 99 H GLY 99 -12.300 -9.258 -4.460 761 HA2 GLY 99 HA2 GLY 99 -14.499 -8.929 -4.210 762 HA3 GLY 99 HA3 GLY 99 -14.592 -10.439 -3.282 763 H LEU 100 H LEU 100 -12.556 -7.621 -2.392 764 HA LEU 100 HA LEU 100 -14.225 -7.327 0.055 765 HB2 LEU 100 HB2 LEU 100 -11.281 -7.004 -0.487 766 HB3 LEU 100 HB3 LEU 100 -12.075 -6.440 0.974 767 HG LEU 100 HG LEU 100 -12.614 -9.290 0.260 768 HD11 LEU 100 HD11 LEU 100 -10.113 -8.994 1.821 769 HD12 LEU 100 HD12 LEU 100 -9.957 -8.677 0.093 770 HD13 LEU 100 HD13 LEU 100 -10.603 -10.217 0.648 771 HD21 LEU 100 HD21 LEU 100 -12.426 -9.506 2.740 772 HD22 LEU 100 HD22 LEU 100 -13.611 -8.267 2.244 773 HD23 LEU 100 HD23 LEU 100 -12.008 -7.799 2.850 774 HA PRO 101 HA PRO 101 -14.644 -3.052 -1.391 775 HB2 PRO 101 HB2 PRO 101 -16.347 -2.114 0.492 776 HB3 PRO 101 HB3 PRO 101 -16.877 -3.266 -0.770 777 HG2 PRO 101 HG2 PRO 101 -16.284 -3.775 2.120 778 HG3 PRO 101 HG3 PRO 101 -17.500 -4.547 1.063 779 HD2 PRO 101 HD2 PRO 101 -14.921 -5.609 1.702 780 HD3 PRO 101 HD3 PRO 101 -16.014 -6.173 0.419 781 H VAL 102 H VAL 102 -13.816 -0.966 -0.599 782 HA VAL 102 HA VAL 102 -11.637 -1.237 1.282 783 HB VAL 102 HB VAL 102 -11.237 1.142 0.595 784 HG11 VAL 102 HG11 VAL 102 -10.475 0.534 -1.645 785 HG12 VAL 102 HG12 VAL 102 -10.165 -0.757 -0.492 786 HG13 VAL 102 HG13 VAL 102 -11.520 -0.891 -1.640 787 HG21 VAL 102 HG21 VAL 102 -12.525 1.673 -1.657 788 HG22 VAL 102 HG22 VAL 102 -13.834 0.775 -0.912 789 HG23 VAL 102 HG23 VAL 102 -13.144 2.155 -0.060 790 H ALA 103 H ALA 103 -11.310 0.837 2.788 791 HA ALA 103 HA ALA 103 -13.461 0.753 4.747 792 HB1 ALA 103 HB1 ALA 103 -10.867 2.309 4.780 793 HB2 ALA 103 HB2 ALA 103 -11.990 2.081 6.125 794 HB3 ALA 103 HB3 ALA 103 -11.114 0.686 5.467 795 H VAL 104 H VAL 104 -14.963 1.653 3.041 796 HA VAL 104 HA VAL 104 -14.803 4.529 2.556 797 HB VAL 104 HB VAL 104 -17.314 3.965 1.798 798 HG11 VAL 104 HG11 VAL 104 -15.124 2.805 0.107 799 HG12 VAL 104 HG12 VAL 104 -16.670 3.464 -0.410 800 HG13 VAL 104 HG13 VAL 104 -15.435 4.548 0.266 801 HG21 VAL 104 HG21 VAL 104 -17.786 1.746 1.122 802 HG22 VAL 104 HG22 VAL 104 -16.163 1.174 1.499 803 HG23 VAL 104 HG23 VAL 104 -17.275 1.634 2.815 804 H ASN 105 H ASN 105 -16.678 5.898 3.124 805 HA ASN 105 HA ASN 105 -17.624 5.387 5.890 806 HB2 ASN 105 HB2 ASN 105 -16.249 7.472 5.431 807 HB3 ASN 105 HB3 ASN 105 -17.550 8.033 4.372 808 HD21 ASN 105 HD21 ASN 105 -19.253 9.202 5.451 809 HD22 ASN 105 HD22 ASN 105 -19.527 9.070 7.179 810 H LYS 106 H LYS 106 -18.580 5.717 2.536 811 HA LYS 106 HA LYS 106 -21.202 4.812 3.018 812 HB2 LYS 106 HB2 LYS 106 -20.902 7.679 3.102 813 HB3 LYS 106 HB3 LYS 106 -21.652 7.308 1.555 814 HG2 LYS 106 HG2 LYS 106 -22.651 6.267 4.248 815 HG3 LYS 106 HG3 LYS 106 -23.236 7.732 3.450 816 HD2 LYS 106 HD2 LYS 106 -24.090 6.478 1.570 817 HD3 LYS 106 HD3 LYS 106 -23.487 4.949 2.256 818 HE2 LYS 106 HE2 LYS 106 -24.984 4.957 4.043 819 HE3 LYS 106 HE3 LYS 106 -25.302 6.696 3.915 820 HZ1 LYS 106 HZ1 LYS 106 -26.538 6.358 1.970 821 HZ2 LYS 106 HZ2 LYS 106 -27.114 5.343 3.105 822 HZ3 LYS 106 HZ3 LYS 106 -26.164 4.733 1.884 823 H SER 107 H SER 107 -22.313 4.548 0.966 824 HA SER 107 HA SER 107 -22.474 3.684 -1.068 825 HB2 SER 107 HB2 SER 107 -20.663 6.000 -1.774 826 HB3 SER 107 HB3 SER 107 -21.491 4.954 -2.952 827 HG SER 107 HG SER 107 -22.895 6.491 -2.691 828 H GLN 108 H GLN 108 -21.611 1.799 -0.274 829 HA GLN 108 HA GLN 108 -18.852 1.008 -0.597 830 HB2 GLN 108 HB2 GLN 108 -20.341 0.045 1.119 831 HB3 GLN 108 HB3 GLN 108 -21.464 -0.527 -0.106 832 HG2 GLN 108 HG2 GLN 108 -18.627 -1.505 -0.279 833 HG3 GLN 108 HG3 GLN 108 -19.588 -2.069 1.070 834 HE21 GLN 108 HE21 GLN 108 -19.334 -2.084 -2.427 835 HE22 GLN 108 HE22 GLN 108 -20.446 -3.420 -2.719 Start of MODEL 12 1 H ALA 1 H ALA 1 14.091 -9.222 -1.785 2 HA ALA 1 HA ALA 1 11.542 -8.799 -0.366 3 HB1 ALA 1 HB1 ALA 1 13.413 -6.680 -1.526 4 HB2 ALA 1 HB2 ALA 1 11.891 -6.381 -0.681 5 HB3 ALA 1 HB3 ALA 1 13.269 -7.065 0.176 6 H LEU 2 H LEU 2 11.733 -6.556 -2.612 7 HA LEU 2 HA LEU 2 9.935 -6.154 -4.041 8 HB2 LEU 2 HB2 LEU 2 12.639 -6.842 -5.184 9 HB3 LEU 2 HB3 LEU 2 11.373 -6.399 -6.309 10 HG LEU 2 HG LEU 2 12.829 -4.553 -5.673 11 HD11 LEU 2 HD11 LEU 2 9.937 -4.030 -4.908 12 HD12 LEU 2 HD12 LEU 2 10.529 -4.248 -6.576 13 HD13 LEU 2 HD13 LEU 2 11.136 -2.912 -5.606 14 HD21 LEU 2 HD21 LEU 2 12.602 -3.407 -3.554 15 HD22 LEU 2 HD22 LEU 2 13.141 -5.055 -3.270 16 HD23 LEU 2 HD23 LEU 2 11.441 -4.593 -2.952 17 H THR 3 H THR 3 8.409 -7.967 -3.628 18 HA THR 3 HA THR 3 8.203 -9.671 -6.059 19 HB THR 3 HB THR 3 7.989 -10.550 -3.186 20 HG1 THR 3 HG1 THR 3 9.973 -10.860 -4.011 21 HG21 THR 3 HG21 THR 3 7.262 -12.775 -4.075 22 HG22 THR 3 HG22 THR 3 6.890 -11.971 -5.618 23 HG23 THR 3 HG23 THR 3 6.014 -11.517 -4.144 24 H THR 4 H THR 4 6.177 -10.077 -6.768 25 HA THR 4 HA THR 4 4.090 -8.109 -6.074 26 HB THR 4 HB THR 4 3.265 -9.068 -8.366 27 HG1 THR 4 HG1 THR 4 4.398 -10.811 -8.732 28 HG21 THR 4 HG21 THR 4 5.952 -7.624 -8.283 29 HG22 THR 4 HG22 THR 4 4.353 -6.859 -8.200 30 HG23 THR 4 HG23 THR 4 4.846 -7.706 -9.670 31 H ILE 5 H ILE 5 2.948 -8.916 -4.366 32 HA ILE 5 HA ILE 5 2.431 -11.813 -4.118 33 HB ILE 5 HB ILE 5 3.043 -11.036 -2.052 34 HG12 ILE 5 HG12 ILE 5 0.065 -10.537 -1.881 35 HG13 ILE 5 HG13 ILE 5 0.791 -12.149 -2.010 36 HG21 ILE 5 HG21 ILE 5 2.456 -8.901 -0.990 37 HG22 ILE 5 HG22 ILE 5 3.190 -8.607 -2.544 38 HG23 ILE 5 HG23 ILE 5 1.422 -8.476 -2.375 39 HD11 ILE 5 HD11 ILE 5 1.161 -10.148 0.231 40 HD12 ILE 5 HD12 ILE 5 0.322 -11.711 0.300 41 HD13 ILE 5 HD13 ILE 5 2.078 -11.663 0.072 42 H SER 6 H SER 6 0.356 -12.663 -4.318 43 HA SER 6 HA SER 6 -1.439 -11.093 -5.988 44 HB2 SER 6 HB2 SER 6 -1.914 -13.862 -4.835 45 HB3 SER 6 HB3 SER 6 -2.527 -13.186 -6.351 46 HG SER 6 HG SER 6 -0.120 -13.052 -6.889 47 HA PRO 7 HA PRO 7 -4.038 -9.813 -2.665 48 HB2 PRO 7 HB2 PRO 7 -6.609 -10.033 -3.619 49 HB3 PRO 7 HB3 PRO 7 -5.406 -8.815 -4.162 50 HG2 PRO 7 HG2 PRO 7 -6.125 -11.470 -5.419 51 HG3 PRO 7 HG3 PRO 7 -6.044 -9.882 -6.221 52 HD2 PRO 7 HD2 PRO 7 -3.958 -11.612 -6.322 53 HD3 PRO 7 HD3 PRO 7 -3.652 -9.860 -6.131 54 H HIS 8 H HIS 8 -6.084 -10.525 -1.318 55 HA HIS 8 HA HIS 8 -7.146 -11.967 0.024 56 HB2 HIS 8 HB2 HIS 8 -7.370 -13.329 -2.202 57 HB3 HIS 8 HB3 HIS 8 -6.181 -14.400 -1.472 58 HD1 HIS 8 HD1 HIS 8 -9.589 -14.567 -2.031 59 HD2 HIS 8 HD2 HIS 8 -7.188 -14.855 1.424 60 HE1 HIS 8 HE1 HIS 8 -10.920 -15.914 -0.339 61 H ASP 9 H ASP 9 -3.897 -13.119 -0.995 62 HA ASP 9 HA ASP 9 -3.185 -14.320 1.521 63 HB2 ASP 9 HB2 ASP 9 -1.668 -13.514 -0.992 64 HB3 ASP 9 HB3 ASP 9 -0.789 -13.883 0.481 65 H ALA 10 H ALA 10 -2.536 -11.138 -0.006 66 HA ALA 10 HA ALA 10 -0.937 -10.234 2.149 67 HB1 ALA 10 HB1 ALA 10 -1.291 -7.948 1.248 68 HB2 ALA 10 HB2 ALA 10 -1.045 -9.071 -0.101 69 HB3 ALA 10 HB3 ALA 10 -2.683 -8.509 0.304 70 H GLN 11 H GLN 11 -4.439 -10.332 1.980 71 HA GLN 11 HA GLN 11 -4.993 -8.503 4.072 72 HB2 GLN 11 HB2 GLN 11 -6.627 -9.551 2.526 73 HB3 GLN 11 HB3 GLN 11 -6.334 -11.128 3.234 74 HG2 GLN 11 HG2 GLN 11 -7.201 -8.979 5.097 75 HG3 GLN 11 HG3 GLN 11 -8.386 -9.564 3.933 76 HE21 GLN 11 HE21 GLN 11 -6.868 -10.233 6.928 77 HE22 GLN 11 HE22 GLN 11 -7.488 -11.820 7.231 78 H GLU 12 H GLU 12 -3.627 -11.737 4.111 79 HA GLU 12 HA GLU 12 -4.265 -12.487 6.803 80 HB2 GLU 12 HB2 GLU 12 -3.628 -13.801 4.566 81 HB3 GLU 12 HB3 GLU 12 -1.978 -13.618 5.138 82 HG2 GLU 12 HG2 GLU 12 -4.302 -14.985 6.538 83 HG3 GLU 12 HG3 GLU 12 -2.969 -15.757 5.683 84 H LEU 13 H LEU 13 -1.169 -11.791 5.253 85 HA LEU 13 HA LEU 13 0.301 -11.369 7.548 86 HB2 LEU 13 HB2 LEU 13 2.012 -10.334 6.044 87 HB3 LEU 13 HB3 LEU 13 1.390 -11.925 5.629 88 HG LEU 13 HG LEU 13 -0.153 -10.741 3.976 89 HD11 LEU 13 HD11 LEU 13 0.356 -8.356 4.631 90 HD12 LEU 13 HD12 LEU 13 0.676 -8.731 2.964 91 HD13 LEU 13 HD13 LEU 13 2.033 -8.623 4.119 92 HD21 LEU 13 HD21 LEU 13 2.824 -11.126 3.679 93 HD22 LEU 13 HD22 LEU 13 1.765 -10.724 2.323 94 HD23 LEU 13 HD23 LEU 13 1.502 -12.225 3.230 95 H ILE 14 H ILE 14 -1.517 -8.900 5.727 96 HA ILE 14 HA ILE 14 -0.479 -6.685 7.158 97 HB ILE 14 HB ILE 14 -2.525 -7.282 5.221 98 HG12 ILE 14 HG12 ILE 14 -1.650 -4.480 5.627 99 HG13 ILE 14 HG13 ILE 14 -0.383 -5.664 5.304 100 HG21 ILE 14 HG21 ILE 14 -3.538 -5.445 7.319 101 HG22 ILE 14 HG22 ILE 14 -4.167 -5.548 5.655 102 HG23 ILE 14 HG23 ILE 14 -4.198 -6.983 6.725 103 HD11 ILE 14 HD11 ILE 14 -1.445 -6.419 3.269 104 HD12 ILE 14 HD12 ILE 14 -2.803 -5.285 3.526 105 HD13 ILE 14 HD13 ILE 14 -1.163 -4.668 3.242 106 H ALA 15 H ALA 15 -3.306 -8.790 7.943 107 HA ALA 15 HA ALA 15 -3.980 -7.276 10.287 108 HB1 ALA 15 HB1 ALA 15 -5.340 -9.295 10.857 109 HB2 ALA 15 HB2 ALA 15 -5.629 -8.700 9.207 110 HB3 ALA 15 HB3 ALA 15 -4.618 -10.134 9.474 111 H ARG 16 H ARG 16 -1.402 -9.432 9.634 112 HA ARG 16 HA ARG 16 -1.005 -10.335 12.395 113 HB2 ARG 16 HB2 ARG 16 0.829 -10.629 9.998 114 HB3 ARG 16 HB3 ARG 16 0.972 -11.418 11.549 115 HG2 ARG 16 HG2 ARG 16 -1.694 -11.822 10.251 116 HG3 ARG 16 HG3 ARG 16 -0.357 -12.383 9.313 117 HD2 ARG 16 HD2 ARG 16 0.494 -13.528 11.521 118 HD3 ARG 16 HD3 ARG 16 -1.160 -13.268 12.110 119 HE ARG 16 HE ARG 16 -1.421 -14.472 9.597 120 HH11 ARG 16 HH11 ARG 16 0.452 -15.440 12.456 121 HH12 ARG 16 HH12 ARG 16 0.406 -17.115 12.038 122 HH21 ARG 16 HH21 ARG 16 -1.670 -16.610 9.240 123 HH22 ARG 16 HH22 ARG 16 -0.841 -17.862 10.140 124 H GLY 17 H GLY 17 0.715 -8.219 10.032 125 HA2 GLY 17 HA2 GLY 17 1.194 -6.150 11.954 126 HA3 GLY 17 HA3 GLY 17 2.613 -7.189 11.839 127 H ALA 18 H ALA 18 2.092 -7.671 8.864 128 HA ALA 18 HA ALA 18 3.836 -5.914 7.748 129 HB1 ALA 18 HB1 ALA 18 2.957 -6.537 5.568 130 HB2 ALA 18 HB2 ALA 18 3.051 -7.949 6.644 131 HB3 ALA 18 HB3 ALA 18 1.485 -7.168 6.315 132 H LYS 19 H LYS 19 3.859 -3.899 6.995 133 HA LYS 19 HA LYS 19 1.366 -2.287 7.227 134 HB2 LYS 19 HB2 LYS 19 4.310 -1.745 7.539 135 HB3 LYS 19 HB3 LYS 19 3.371 -0.446 6.811 136 HG2 LYS 19 HG2 LYS 19 2.594 -1.800 9.434 137 HG3 LYS 19 HG3 LYS 19 3.567 -0.345 9.323 138 HD2 LYS 19 HD2 LYS 19 1.707 0.863 9.298 139 HD3 LYS 19 HD3 LYS 19 1.349 0.265 7.688 140 HE2 LYS 19 HE2 LYS 19 0.069 -1.641 8.689 141 HE3 LYS 19 HE3 LYS 19 0.482 -1.031 10.304 142 HZ1 LYS 19 HZ1 LYS 19 -0.673 1.020 9.726 143 HZ2 LYS 19 HZ2 LYS 19 -1.667 -0.293 9.717 144 HZ3 LYS 19 HZ3 LYS 19 -1.169 0.325 8.286 145 H LEU 20 H LEU 20 0.919 -0.625 5.575 146 HA LEU 20 HA LEU 20 2.018 -1.270 2.936 147 HB2 LEU 20 HB2 LEU 20 -0.278 -2.309 3.387 148 HB3 LEU 20 HB3 LEU 20 -0.931 -0.681 3.320 149 HG LEU 20 HG LEU 20 0.772 -1.932 1.108 150 HD11 LEU 20 HD11 LEU 20 -1.129 -3.359 1.424 151 HD12 LEU 20 HD12 LEU 20 -1.317 -2.448 -0.071 152 HD13 LEU 20 HD13 LEU 20 -2.237 -1.980 1.387 153 HD21 LEU 20 HD21 LEU 20 -0.744 -0.300 -0.324 154 HD22 LEU 20 HD22 LEU 20 0.749 0.227 0.402 155 HD23 LEU 20 HD23 LEU 20 -0.804 0.619 1.177 156 H ILE 21 H ILE 21 2.217 0.668 1.626 157 HA ILE 21 HA ILE 21 1.870 3.227 3.132 158 HB ILE 21 HB ILE 21 3.990 2.629 1.059 159 HG12 ILE 21 HG12 ILE 21 4.456 1.099 2.887 160 HG13 ILE 21 HG13 ILE 21 5.639 2.384 2.815 161 HG21 ILE 21 HG21 ILE 21 3.482 5.009 1.377 162 HG22 ILE 21 HG22 ILE 21 3.679 4.846 3.127 163 HG23 ILE 21 HG23 ILE 21 5.083 4.644 2.046 164 HD11 ILE 21 HD11 ILE 21 3.265 2.577 4.725 165 HD12 ILE 21 HD12 ILE 21 4.764 1.718 5.137 166 HD13 ILE 21 HD13 ILE 21 4.817 3.442 4.747 167 H ASP 22 H ASP 22 0.708 4.734 2.215 168 HA ASP 22 HA ASP 22 -0.487 4.104 -0.337 169 HB2 ASP 22 HB2 ASP 22 -0.864 6.244 1.783 170 HB3 ASP 22 HB3 ASP 22 -1.663 6.389 0.238 171 H ILE 23 H ILE 23 0.898 4.569 -2.084 172 HA ILE 23 HA ILE 23 2.124 7.315 -2.067 173 HB ILE 23 HB ILE 23 3.866 6.448 -3.412 174 HG12 ILE 23 HG12 ILE 23 3.213 3.548 -3.168 175 HG13 ILE 23 HG13 ILE 23 2.105 4.425 -4.202 176 HG21 ILE 23 HG21 ILE 23 3.553 4.583 -1.032 177 HG22 ILE 23 HG22 ILE 23 5.029 4.882 -1.964 178 HG23 ILE 23 HG23 ILE 23 4.311 6.198 -1.032 179 HD11 ILE 23 HD11 ILE 23 3.810 5.242 -5.598 180 HD12 ILE 23 HD12 ILE 23 5.107 4.671 -4.498 181 HD13 ILE 23 HD13 ILE 23 4.080 3.507 -5.394 182 H ARG 24 H ARG 24 -0.768 6.848 -3.242 183 HA ARG 24 HA ARG 24 0.006 7.357 -6.073 184 HB2 ARG 24 HB2 ARG 24 -2.657 7.344 -6.214 185 HB3 ARG 24 HB3 ARG 24 -1.606 5.996 -6.506 186 HG2 ARG 24 HG2 ARG 24 -3.359 5.244 -5.245 187 HG3 ARG 24 HG3 ARG 24 -1.916 5.164 -4.264 188 HD2 ARG 24 HD2 ARG 24 -2.773 6.828 -2.733 189 HD3 ARG 24 HD3 ARG 24 -3.819 7.541 -3.995 190 HE ARG 24 HE ARG 24 -4.958 5.468 -4.071 191 HH11 ARG 24 HH11 ARG 24 -3.949 6.669 -0.842 192 HH12 ARG 24 HH12 ARG 24 -5.036 5.599 0.022 193 HH21 ARG 24 HH21 ARG 24 -6.438 4.144 -2.848 194 HH22 ARG 24 HH22 ARG 24 -6.442 4.159 -1.131 195 H ASP 25 H ASP 25 -2.644 8.706 -4.045 196 HA ASP 25 HA ASP 25 -1.515 11.354 -4.230 197 HB2 ASP 25 HB2 ASP 25 -2.815 10.607 -6.466 198 HB3 ASP 25 HB3 ASP 25 -4.240 10.948 -5.505 199 H ALA 26 H ALA 26 -2.906 12.859 -3.133 200 HA ALA 26 HA ALA 26 -3.984 11.792 -0.647 201 HB1 ALA 26 HB1 ALA 26 -3.911 14.590 -1.871 202 HB2 ALA 26 HB2 ALA 26 -4.442 14.219 -0.220 203 HB3 ALA 26 HB3 ALA 26 -2.761 13.902 -0.692 204 H ASP 27 H ASP 27 -5.406 13.097 -3.634 205 HA ASP 27 HA ASP 27 -8.044 13.517 -2.747 206 HB2 ASP 27 HB2 ASP 27 -6.683 13.202 -5.389 207 HB3 ASP 27 HB3 ASP 27 -8.415 12.898 -5.364 208 H GLU 28 H GLU 28 -6.455 10.473 -3.612 209 HA GLU 28 HA GLU 28 -8.922 9.017 -3.992 210 HB2 GLU 28 HB2 GLU 28 -6.148 7.980 -3.262 211 HB3 GLU 28 HB3 GLU 28 -7.521 7.014 -3.847 212 HG2 GLU 28 HG2 GLU 28 -7.340 8.875 -5.843 213 HG3 GLU 28 HG3 GLU 28 -5.643 8.796 -5.342 214 H TYR 29 H TYR 29 -6.669 9.418 -1.325 215 HA TYR 29 HA TYR 29 -7.657 7.665 0.621 216 HB2 TYR 29 HB2 TYR 29 -5.501 8.989 0.548 217 HB3 TYR 29 HB3 TYR 29 -6.403 10.370 1.136 218 HD1 TYR 29 HD1 TYR 29 -4.596 7.355 2.053 219 HD2 TYR 29 HD2 TYR 29 -7.615 10.124 3.449 220 HE1 TYR 29 HE1 TYR 29 -4.184 6.636 4.351 221 HE2 TYR 29 HE2 TYR 29 -7.176 9.436 5.766 222 HH TYR 29 HH TYR 29 -6.246 7.534 7.024 223 H LEU 30 H LEU 30 -8.984 10.667 -0.513 224 HA LEU 30 HA LEU 30 -10.449 11.509 1.742 225 HB2 LEU 30 HB2 LEU 30 -9.823 12.791 -0.319 226 HB3 LEU 30 HB3 LEU 30 -11.040 11.916 -1.229 227 HG LEU 30 HG LEU 30 -11.796 13.362 1.311 228 HD11 LEU 30 HD11 LEU 30 -10.484 14.948 -0.101 229 HD12 LEU 30 HD12 LEU 30 -12.199 15.408 0.001 230 HD13 LEU 30 HD13 LEU 30 -11.552 14.592 -1.445 231 HD21 LEU 30 HD21 LEU 30 -13.612 12.026 0.310 232 HD22 LEU 30 HD22 LEU 30 -13.276 12.728 -1.295 233 HD23 LEU 30 HD23 LEU 30 -13.949 13.722 0.004 234 H ARG 31 H ARG 31 -11.477 9.680 -1.181 235 HA ARG 31 HA ARG 31 -14.025 9.042 0.147 236 HB2 ARG 31 HB2 ARG 31 -13.070 8.119 -2.568 237 HB3 ARG 31 HB3 ARG 31 -14.664 7.935 -1.832 238 HG2 ARG 31 HG2 ARG 31 -14.560 10.596 -1.731 239 HG3 ARG 31 HG3 ARG 31 -13.427 10.357 -3.066 240 HD2 ARG 31 HD2 ARG 31 -16.355 9.622 -2.865 241 HD3 ARG 31 HD3 ARG 31 -15.568 10.598 -4.103 242 HE ARG 31 HE ARG 31 -14.361 8.311 -4.588 243 HH11 ARG 31 HH11 ARG 31 -17.862 8.820 -4.088 244 HH12 ARG 31 HH12 ARG 31 -18.318 7.229 -4.517 245 HH21 ARG 31 HH21 ARG 31 -14.978 6.095 -4.696 246 HH22 ARG 31 HH22 ARG 31 -16.613 5.634 -5.002 247 H GLU 32 H GLU 32 -11.314 7.125 -1.278 248 HA GLU 32 HA GLU 32 -12.139 4.760 0.360 249 HB2 GLU 32 HB2 GLU 32 -10.674 5.195 -2.322 250 HB3 GLU 32 HB3 GLU 32 -10.629 3.662 -1.514 251 HG2 GLU 32 HG2 GLU 32 -12.307 3.300 -3.028 252 HG3 GLU 32 HG3 GLU 32 -13.227 3.716 -1.592 253 H HIS 33 H HIS 33 -10.004 3.264 0.525 254 HA HIS 33 HA HIS 33 -7.635 4.778 1.259 255 HB2 HIS 33 HB2 HIS 33 -9.185 4.693 3.242 256 HB3 HIS 33 HB3 HIS 33 -9.027 2.942 3.213 257 HD1 HIS 33 HD1 HIS 33 -7.917 5.654 5.148 258 HD2 HIS 33 HD2 HIS 33 -5.928 2.358 3.434 259 HE1 HIS 33 HE1 HIS 33 -5.801 5.206 6.532 260 H ILE 34 H ILE 34 -7.467 1.695 2.644 261 HA ILE 34 HA ILE 34 -7.504 -0.163 0.560 262 HB ILE 34 HB ILE 34 -5.329 1.650 0.353 263 HG12 ILE 34 HG12 ILE 34 -6.068 -0.815 -0.966 264 HG13 ILE 34 HG13 ILE 34 -5.395 0.685 -1.561 265 HG21 ILE 34 HG21 ILE 34 -4.050 -0.709 1.741 266 HG22 ILE 34 HG22 ILE 34 -3.336 0.787 1.097 267 HG23 ILE 34 HG23 ILE 34 -4.426 0.814 2.498 268 HD11 ILE 34 HD11 ILE 34 -3.115 -0.097 -1.051 269 HD12 ILE 34 HD12 ILE 34 -3.762 -1.649 -0.508 270 HD13 ILE 34 HD13 ILE 34 -3.983 -1.163 -2.177 271 HA PRO 35 HA PRO 35 -6.885 -2.629 4.294 272 HB2 PRO 35 HB2 PRO 35 -5.389 -4.793 3.563 273 HB3 PRO 35 HB3 PRO 35 -7.080 -4.529 3.119 274 HG2 PRO 35 HG2 PRO 35 -4.656 -4.159 1.359 275 HG3 PRO 35 HG3 PRO 35 -6.204 -4.702 0.920 276 HD2 PRO 35 HD2 PRO 35 -5.338 -2.145 0.626 277 HD3 PRO 35 HD3 PRO 35 -7.063 -2.583 0.672 278 H GLU 36 H GLU 36 -5.871 -1.416 5.652 279 HA GLU 36 HA GLU 36 -4.576 -0.670 7.166 280 HB2 GLU 36 HB2 GLU 36 -4.119 -3.284 6.957 281 HB3 GLU 36 HB3 GLU 36 -2.480 -2.723 6.640 282 HG2 GLU 36 HG2 GLU 36 -2.347 -2.811 8.926 283 HG3 GLU 36 HG3 GLU 36 -3.074 -1.204 8.790 284 H ALA 37 H ALA 37 -3.987 0.898 4.802 285 HA ALA 37 HA ALA 37 -1.090 1.341 5.075 286 HB1 ALA 37 HB1 ALA 37 -3.067 2.608 3.170 287 HB2 ALA 37 HB2 ALA 37 -1.294 2.713 3.074 288 HB3 ALA 37 HB3 ALA 37 -2.079 1.161 2.860 289 H ASP 38 H ASP 38 -0.701 3.900 4.460 290 HA ASP 38 HA ASP 38 -2.012 5.740 6.263 291 HB2 ASP 38 HB2 ASP 38 -0.279 4.671 7.730 292 HB3 ASP 38 HB3 ASP 38 0.927 5.057 6.521 293 H LEU 39 H LEU 39 -1.920 7.717 5.263 294 HA LEU 39 HA LEU 39 -1.229 8.066 2.601 295 HB2 LEU 39 HB2 LEU 39 -2.919 9.379 3.788 296 HB3 LEU 39 HB3 LEU 39 -1.674 10.075 4.823 297 HG LEU 39 HG LEU 39 -0.642 11.178 2.797 298 HD11 LEU 39 HD11 LEU 39 -1.990 11.339 0.737 299 HD12 LEU 39 HD12 LEU 39 -3.175 10.200 1.417 300 HD13 LEU 39 HD13 LEU 39 -1.508 9.669 1.038 301 HD21 LEU 39 HD21 LEU 39 -3.568 11.829 3.277 302 HD22 LEU 39 HD22 LEU 39 -2.315 12.914 2.587 303 HD23 LEU 39 HD23 LEU 39 -2.210 12.386 4.272 304 H ALA 40 H ALA 40 0.800 8.085 1.647 305 HA ALA 40 HA ALA 40 2.712 10.054 2.602 306 HB1 ALA 40 HB1 ALA 40 3.459 7.122 2.552 307 HB2 ALA 40 HB2 ALA 40 4.535 8.504 2.891 308 HB3 ALA 40 HB3 ALA 40 3.241 8.084 4.023 309 HA PRO 41 HA PRO 41 2.333 9.382 -1.997 310 HB2 PRO 41 HB2 PRO 41 2.573 12.073 -2.686 311 HB3 PRO 41 HB3 PRO 41 1.040 11.189 -2.393 312 HG2 PRO 41 HG2 PRO 41 2.588 12.973 -0.521 313 HG3 PRO 41 HG3 PRO 41 0.809 12.872 -0.779 314 HD2 PRO 41 HD2 PRO 41 2.064 11.679 1.339 315 HD3 PRO 41 HD3 PRO 41 0.650 10.929 0.541 316 H LEU 42 H LEU 42 3.873 9.963 -3.765 317 HA LEU 42 HA LEU 42 6.503 9.352 -3.098 318 HB2 LEU 42 HB2 LEU 42 5.612 9.081 -5.323 319 HB3 LEU 42 HB3 LEU 42 5.436 10.828 -5.523 320 HG LEU 42 HG LEU 42 7.936 11.073 -5.418 321 HD11 LEU 42 HD11 LEU 42 7.837 8.020 -5.334 322 HD12 LEU 42 HD12 LEU 42 8.525 9.094 -4.107 323 HD13 LEU 42 HD13 LEU 42 9.294 8.980 -5.691 324 HD21 LEU 42 HD21 LEU 42 6.933 9.130 -7.536 325 HD22 LEU 42 HD22 LEU 42 8.381 10.151 -7.638 326 HD23 LEU 42 HD23 LEU 42 6.781 10.898 -7.576 327 H SER 43 H SER 43 5.030 12.580 -3.221 328 HA SER 43 HA SER 43 7.266 14.205 -3.250 329 HB2 SER 43 HB2 SER 43 4.908 14.780 -1.446 330 HB3 SER 43 HB3 SER 43 5.876 15.906 -2.405 331 HG SER 43 HG SER 43 3.797 15.488 -3.234 332 H VAL 44 H VAL 44 5.534 12.963 -0.331 333 HA VAL 44 HA VAL 44 7.475 13.938 1.449 334 HB VAL 44 HB VAL 44 5.043 13.497 1.843 335 HG11 VAL 44 HG11 VAL 44 4.454 11.414 3.033 336 HG12 VAL 44 HG12 VAL 44 4.722 11.194 1.312 337 HG13 VAL 44 HG13 VAL 44 5.966 10.681 2.486 338 HG21 VAL 44 HG21 VAL 44 6.648 14.277 3.503 339 HG22 VAL 44 HG22 VAL 44 5.411 13.240 4.237 340 HG23 VAL 44 HG23 VAL 44 7.048 12.596 3.931 341 H LEU 45 H LEU 45 7.171 10.843 -0.180 342 HA LEU 45 HA LEU 45 9.039 9.321 1.366 343 HB2 LEU 45 HB2 LEU 45 8.130 9.235 -1.505 344 HB3 LEU 45 HB3 LEU 45 9.407 8.195 -0.986 345 HG LEU 45 HG LEU 45 6.842 7.515 -1.019 346 HD11 LEU 45 HD11 LEU 45 8.747 5.996 -0.529 347 HD12 LEU 45 HD12 LEU 45 7.362 5.645 0.500 348 HD13 LEU 45 HD13 LEU 45 8.727 6.536 1.186 349 HD21 LEU 45 HD21 LEU 45 7.192 8.246 1.941 350 HD22 LEU 45 HD22 LEU 45 5.855 7.333 1.201 351 HD23 LEU 45 HD23 LEU 45 6.071 9.024 0.790 352 H GLU 46 H GLU 46 9.509 11.554 -1.414 353 HA GLU 46 HA GLU 46 12.397 11.265 -1.409 354 HB2 GLU 46 HB2 GLU 46 10.268 12.891 -2.850 355 HB3 GLU 46 HB3 GLU 46 11.981 13.135 -3.133 356 HG2 GLU 46 HG2 GLU 46 10.514 10.514 -3.519 357 HG3 GLU 46 HG3 GLU 46 10.904 11.658 -4.799 358 H GLN 47 H GLN 47 10.044 13.468 0.154 359 HA GLN 47 HA GLN 47 12.018 15.553 0.662 360 HB2 GLN 47 HB2 GLN 47 9.179 15.035 1.529 361 HB3 GLN 47 HB3 GLN 47 10.118 16.322 2.230 362 HG2 GLN 47 HG2 GLN 47 10.346 17.500 0.173 363 HG3 GLN 47 HG3 GLN 47 9.762 16.141 -0.771 364 HE21 GLN 47 HE21 GLN 47 8.717 19.063 -0.470 365 HE22 GLN 47 HE22 GLN 47 7.052 18.862 -0.027 366 H SER 48 H SER 48 10.938 12.578 2.203 367 HA SER 48 HA SER 48 12.903 12.979 4.374 368 HB2 SER 48 HB2 SER 48 10.807 13.876 5.310 369 HB3 SER 48 HB3 SER 48 9.955 12.381 4.911 370 HG SER 48 HG SER 48 11.253 11.275 6.429 371 H GLY 49 H GLY 49 10.201 10.661 3.621 372 HA2 GLY 49 HA2 GLY 49 11.065 8.548 2.464 373 HA3 GLY 49 HA3 GLY 49 12.189 8.457 3.825 374 H LEU 50 H LEU 50 11.230 6.406 4.174 375 HA LEU 50 HA LEU 50 8.543 5.984 4.835 376 HB2 LEU 50 HB2 LEU 50 10.751 4.494 4.145 377 HB3 LEU 50 HB3 LEU 50 10.760 4.192 5.848 378 HG LEU 50 HG LEU 50 9.621 2.455 4.674 379 HD11 LEU 50 HD11 LEU 50 7.480 2.373 5.776 380 HD12 LEU 50 HD12 LEU 50 7.526 4.094 6.148 381 HD13 LEU 50 HD13 LEU 50 8.714 3.002 6.892 382 HD21 LEU 50 HD21 LEU 50 7.760 2.725 3.253 383 HD22 LEU 50 HD22 LEU 50 8.929 3.920 2.710 384 HD23 LEU 50 HD23 LEU 50 7.525 4.419 3.675 385 HA PRO 51 HA PRO 51 9.218 7.713 9.065 386 HB2 PRO 51 HB2 PRO 51 6.648 7.534 10.018 387 HB3 PRO 51 HB3 PRO 51 7.192 8.845 8.917 388 HG2 PRO 51 HG2 PRO 51 5.695 6.306 8.253 389 HG3 PRO 51 HG3 PRO 51 5.396 7.961 7.633 390 HD2 PRO 51 HD2 PRO 51 6.778 6.061 6.242 391 HD3 PRO 51 HD3 PRO 51 7.174 7.795 6.109 392 H ALA 52 H ALA 52 9.283 6.859 11.196 393 HA ALA 52 HA ALA 52 9.700 4.181 11.547 394 HB1 ALA 52 HB1 ALA 52 10.498 5.788 13.148 395 HB2 ALA 52 HB2 ALA 52 8.838 6.134 13.697 396 HB3 ALA 52 HB3 ALA 52 9.551 4.536 13.962 397 H LYS 53 H LYS 53 6.589 5.876 11.994 398 HA LYS 53 HA LYS 53 5.183 3.756 13.227 399 HB2 LYS 53 HB2 LYS 53 3.117 4.811 12.466 400 HB3 LYS 53 HB3 LYS 53 4.243 5.952 13.158 401 HG2 LYS 53 HG2 LYS 53 4.845 6.196 10.465 402 HG3 LYS 53 HG3 LYS 53 3.119 5.833 10.437 403 HD2 LYS 53 HD2 LYS 53 2.898 7.643 12.290 404 HD3 LYS 53 HD3 LYS 53 4.567 8.065 11.892 405 HE2 LYS 53 HE2 LYS 53 3.178 9.591 10.741 406 HE3 LYS 53 HE3 LYS 53 3.797 8.491 9.499 407 HZ1 LYS 53 HZ1 LYS 53 1.172 9.059 10.016 408 HZ2 LYS 53 HZ2 LYS 53 1.358 7.566 10.666 409 HZ3 LYS 53 HZ3 LYS 53 1.707 7.819 9.094 410 H LEU 54 H LEU 54 6.340 3.803 9.910 411 HA LEU 54 HA LEU 54 4.801 1.288 9.506 412 HB2 LEU 54 HB2 LEU 54 5.491 3.076 7.206 413 HB3 LEU 54 HB3 LEU 54 4.155 1.952 7.350 414 HG LEU 54 HG LEU 54 4.228 4.628 8.803 415 HD11 LEU 54 HD11 LEU 54 4.585 5.011 6.385 416 HD12 LEU 54 HD12 LEU 54 3.146 5.740 7.073 417 HD13 LEU 54 HD13 LEU 54 2.990 4.277 6.099 418 HD21 LEU 54 HD21 LEU 54 1.861 2.961 7.896 419 HD22 LEU 54 HD22 LEU 54 1.829 4.442 8.879 420 HD23 LEU 54 HD23 LEU 54 2.518 2.969 9.552 421 H ARG 55 H ARG 55 7.600 1.995 10.413 422 HA ARG 55 HA ARG 55 9.340 1.156 8.241 423 HB2 ARG 55 HB2 ARG 55 11.114 1.547 9.761 424 HB3 ARG 55 HB3 ARG 55 9.905 2.764 10.069 425 HG2 ARG 55 HG2 ARG 55 9.956 2.149 12.272 426 HG3 ARG 55 HG3 ARG 55 9.182 0.634 11.791 427 HD2 ARG 55 HD2 ARG 55 11.807 0.060 11.257 428 HD3 ARG 55 HD3 ARG 55 12.036 1.265 12.508 429 HE ARG 55 HE ARG 55 11.120 -1.434 12.694 430 HH11 ARG 55 HH11 ARG 55 10.732 1.682 14.373 431 HH12 ARG 55 HH12 ARG 55 10.538 0.991 15.945 432 HH21 ARG 55 HH21 ARG 55 10.748 -2.374 14.730 433 HH22 ARG 55 HH22 ARG 55 10.631 -1.402 16.150 434 H HIS 56 H HIS 56 7.287 -0.703 9.550 435 HA HIS 56 HA HIS 56 8.278 -2.836 10.913 436 HB2 HIS 56 HB2 HIS 56 5.881 -2.306 9.981 437 HB3 HIS 56 HB3 HIS 56 6.358 -3.326 8.626 438 HD1 HIS 56 HD1 HIS 56 5.910 -5.954 9.138 439 HD2 HIS 56 HD2 HIS 56 6.161 -3.437 12.510 440 HE1 HIS 56 HE1 HIS 56 5.571 -7.428 11.169 441 H GLU 57 H GLU 57 8.979 -4.946 10.416 442 HA GLU 57 HA GLU 57 11.231 -5.144 8.752 443 HB2 GLU 57 HB2 GLU 57 10.726 -6.337 10.830 444 HB3 GLU 57 HB3 GLU 57 9.409 -7.216 10.048 445 HG2 GLU 57 HG2 GLU 57 10.968 -8.389 8.600 446 HG3 GLU 57 HG3 GLU 57 12.336 -7.394 9.192 447 H GLN 58 H GLN 58 7.885 -5.607 7.999 448 HA GLN 58 HA GLN 58 8.477 -6.433 5.243 449 HB2 GLN 58 HB2 GLN 58 6.672 -7.887 7.232 450 HB3 GLN 58 HB3 GLN 58 6.329 -7.898 5.502 451 HG2 GLN 58 HG2 GLN 58 8.736 -8.658 5.134 452 HG3 GLN 58 HG3 GLN 58 8.869 -8.896 6.883 453 HE21 GLN 58 HE21 GLN 58 8.735 -10.740 4.244 454 HE22 GLN 58 HE22 GLN 58 7.586 -11.948 4.779 455 H ILE 59 H ILE 59 7.514 -4.949 3.953 456 HA ILE 59 HA ILE 59 5.013 -3.762 4.823 457 HB ILE 59 HB ILE 59 5.544 -1.784 5.084 458 HG12 ILE 59 HG12 ILE 59 7.288 -1.825 2.662 459 HG13 ILE 59 HG13 ILE 59 5.675 -1.148 2.853 460 HG21 ILE 59 HG21 ILE 59 7.284 -2.726 6.487 461 HG22 ILE 59 HG22 ILE 59 8.486 -2.487 5.183 462 HG23 ILE 59 HG23 ILE 59 7.696 -1.114 5.969 463 HD11 ILE 59 HD11 ILE 59 7.143 0.655 2.806 464 HD12 ILE 59 HD12 ILE 59 6.543 0.466 4.477 465 HD13 ILE 59 HD13 ILE 59 8.196 -0.037 4.052 466 H ILE 60 H ILE 60 3.969 -2.646 2.984 467 HA ILE 60 HA ILE 60 4.548 -3.886 0.357 468 HB ILE 60 HB ILE 60 1.863 -3.767 1.803 469 HG12 ILE 60 HG12 ILE 60 3.825 -5.981 1.215 470 HG13 ILE 60 HG13 ILE 60 3.107 -5.527 2.752 471 HG21 ILE 60 HG21 ILE 60 0.892 -4.922 -0.128 472 HG22 ILE 60 HG22 ILE 60 1.533 -3.396 -0.642 473 HG23 ILE 60 HG23 ILE 60 2.457 -4.886 -0.973 474 HD11 ILE 60 HD11 ILE 60 2.273 -7.649 1.929 475 HD12 ILE 60 HD12 ILE 60 0.949 -6.466 2.065 476 HD13 ILE 60 HD13 ILE 60 1.646 -6.899 0.467 477 H PHE 61 H PHE 61 3.679 -2.709 -1.378 478 HA PHE 61 HA PHE 61 2.961 0.156 -0.938 479 HB2 PHE 61 HB2 PHE 61 5.205 -1.098 -2.554 480 HB3 PHE 61 HB3 PHE 61 4.467 0.397 -3.100 481 HD1 PHE 61 HD1 PHE 61 4.553 2.465 -1.693 482 HD2 PHE 61 HD2 PHE 61 6.774 -1.079 -0.669 483 HE1 PHE 61 HE1 PHE 61 6.113 3.818 -0.311 484 HE2 PHE 61 HE2 PHE 61 8.337 0.275 0.635 485 HZ PHE 61 HZ PHE 61 8.044 2.738 0.809 486 H HIS 62 H HIS 62 1.630 1.035 -2.714 487 HA HIS 62 HA HIS 62 0.818 -0.759 -4.849 488 HB2 HIS 62 HB2 HIS 62 -1.231 -1.290 -4.153 489 HB3 HIS 62 HB3 HIS 62 -0.699 -0.923 -2.535 490 HD1 HIS 62 HD1 HIS 62 -3.366 -0.151 -4.793 491 HD2 HIS 62 HD2 HIS 62 -1.155 1.980 -1.933 492 HE1 HIS 62 HE1 HIS 62 -4.669 2.038 -4.348 493 H CYS 63 H CYS 63 -0.310 0.530 -6.554 494 HA CYS 63 HA CYS 63 -0.817 3.310 -6.278 495 HB2 CYS 63 HB2 CYS 63 1.737 3.362 -6.173 496 HB3 CYS 63 HB3 CYS 63 1.752 2.696 -7.819 497 HG CYS 63 HG CYS 63 2.218 5.088 -8.125 498 H GLN 64 H GLN 64 -2.418 3.458 -7.688 499 HA GLN 64 HA GLN 64 -3.839 3.380 -9.318 500 HB2 GLN 64 HB2 GLN 64 -1.968 4.649 -10.424 501 HB3 GLN 64 HB3 GLN 64 -1.452 3.133 -11.175 502 HG2 GLN 64 HG2 GLN 64 -3.747 2.983 -12.260 503 HG3 GLN 64 HG3 GLN 64 -4.103 4.574 -11.581 504 HE21 GLN 64 HE21 GLN 64 -3.492 6.355 -12.825 505 HE22 GLN 64 HE22 GLN 64 -2.456 6.255 -14.252 506 H ALA 65 H ALA 65 -5.189 2.055 -10.515 507 HA ALA 65 HA ALA 65 -4.765 -0.812 -10.361 508 HB1 ALA 65 HB1 ALA 65 -6.935 0.225 -9.876 509 HB2 ALA 65 HB2 ALA 65 -7.037 0.801 -11.557 510 HB3 ALA 65 HB3 ALA 65 -7.037 -0.939 -11.209 511 H GLY 66 H GLY 66 -2.764 0.060 -11.732 512 HA2 GLY 66 HA2 GLY 66 -2.982 -1.060 -14.448 513 HA3 GLY 66 HA3 GLY 66 -2.302 0.561 -14.257 514 H LYS 67 H LYS 67 -1.727 -1.555 -11.556 515 HA LYS 67 HA LYS 67 0.116 -2.483 -10.652 516 HB2 LYS 67 HB2 LYS 67 -0.470 -3.902 -12.744 517 HB3 LYS 67 HB3 LYS 67 0.991 -3.222 -13.450 518 HG2 LYS 67 HG2 LYS 67 2.333 -4.252 -11.626 519 HG3 LYS 67 HG3 LYS 67 0.840 -4.888 -10.900 520 HD2 LYS 67 HD2 LYS 67 0.380 -6.250 -12.863 521 HD3 LYS 67 HD3 LYS 67 1.694 -5.459 -13.760 522 HE2 LYS 67 HE2 LYS 67 3.342 -6.392 -12.172 523 HE3 LYS 67 HE3 LYS 67 2.056 -7.284 -11.339 524 HZ1 LYS 67 HZ1 LYS 67 3.381 -8.484 -13.173 525 HZ2 LYS 67 HZ2 LYS 67 2.485 -7.605 -14.241 526 HZ3 LYS 67 HZ3 LYS 67 1.765 -8.644 -13.207 527 H ARG 68 H ARG 68 0.351 0.363 -11.834 528 HA ARG 68 HA ARG 68 2.932 0.952 -12.681 529 HB2 ARG 68 HB2 ARG 68 1.279 2.742 -10.858 530 HB3 ARG 68 HB3 ARG 68 2.543 3.245 -11.966 531 HG2 ARG 68 HG2 ARG 68 -0.147 2.071 -12.742 532 HG3 ARG 68 HG3 ARG 68 0.333 3.769 -12.805 533 HD2 ARG 68 HD2 ARG 68 2.047 3.233 -14.521 534 HD3 ARG 68 HD3 ARG 68 1.560 1.517 -14.441 535 HE ARG 68 HE ARG 68 -0.490 3.572 -14.897 536 HH11 ARG 68 HH11 ARG 68 1.147 0.708 -16.255 537 HH12 ARG 68 HH12 ARG 68 -0.187 0.377 -17.328 538 HH21 ARG 68 HH21 ARG 68 -2.232 2.928 -15.940 539 HH22 ARG 68 HH22 ARG 68 -2.267 1.548 -16.984 540 H THR 69 H THR 69 2.214 -0.047 -9.390 541 HA THR 69 HA THR 69 4.182 1.533 -8.127 542 HB THR 69 HB THR 69 3.920 -1.205 -7.114 543 HG1 THR 69 HG1 THR 69 1.658 0.397 -7.626 544 HG21 THR 69 HG21 THR 69 3.200 1.459 -5.855 545 HG22 THR 69 HG22 THR 69 4.784 0.658 -5.755 546 HG23 THR 69 HG23 THR 69 3.357 -0.115 -5.047 547 H SER 70 H SER 70 4.482 -1.479 -10.028 548 HA SER 70 HA SER 70 7.202 -1.964 -9.317 549 HB2 SER 70 HB2 SER 70 5.401 -3.519 -10.339 550 HB3 SER 70 HB3 SER 70 5.862 -2.801 -11.894 551 HG SER 70 HG SER 70 7.481 -4.306 -10.068 552 H ASN 71 H ASN 71 5.834 0.500 -11.288 553 HA ASN 71 HA ASN 71 7.995 0.685 -13.262 554 HB2 ASN 71 HB2 ASN 71 5.795 2.639 -12.468 555 HB3 ASN 71 HB3 ASN 71 7.094 3.069 -13.522 556 HD21 ASN 71 HD21 ASN 71 6.923 2.693 -15.666 557 HD22 ASN 71 HD22 ASN 71 5.780 1.581 -16.399 558 H ASN 72 H ASN 72 7.566 1.928 -9.962 559 HA ASN 72 HA ASN 72 10.207 3.312 -10.276 560 HB2 ASN 72 HB2 ASN 72 7.851 4.454 -8.739 561 HB3 ASN 72 HB3 ASN 72 9.421 5.205 -9.000 562 HD21 ASN 72 HD21 ASN 72 9.862 5.012 -11.778 563 HD22 ASN 72 HD22 ASN 72 8.607 5.876 -12.592 564 H ALA 73 H ALA 73 9.018 0.709 -8.951 565 HA ALA 73 HA ALA 73 9.255 0.889 -6.192 566 HB1 ALA 73 HB1 ALA 73 9.478 -1.520 -6.255 567 HB2 ALA 73 HB2 ALA 73 8.299 -1.009 -7.449 568 HB3 ALA 73 HB3 ALA 73 9.937 -1.479 -7.973 569 H ASP 74 H ASP 74 11.977 1.000 -8.450 570 HA ASP 74 HA ASP 74 13.943 -0.170 -6.777 571 HB2 ASP 74 HB2 ASP 74 14.037 1.799 -9.056 572 HB3 ASP 74 HB3 ASP 74 15.473 1.622 -8.047 573 H LYS 75 H LYS 75 13.013 3.341 -6.935 574 HA LYS 75 HA LYS 75 14.836 4.023 -4.857 575 HB2 LYS 75 HB2 LYS 75 13.369 5.397 -6.705 576 HB3 LYS 75 HB3 LYS 75 12.376 5.655 -5.284 577 HG2 LYS 75 HG2 LYS 75 15.278 6.436 -5.776 578 HG3 LYS 75 HG3 LYS 75 13.881 7.494 -5.569 579 HD2 LYS 75 HD2 LYS 75 13.675 6.579 -3.228 580 HD3 LYS 75 HD3 LYS 75 15.248 5.795 -3.466 581 HE2 LYS 75 HE2 LYS 75 16.254 8.006 -4.009 582 HE3 LYS 75 HE3 LYS 75 14.691 8.792 -3.746 583 HZ1 LYS 75 HZ1 LYS 75 16.216 8.926 -1.852 584 HZ2 LYS 75 HZ2 LYS 75 16.168 7.304 -1.649 585 HZ3 LYS 75 HZ3 LYS 75 14.817 8.243 -1.426 586 H LEU 76 H LEU 76 11.441 2.947 -4.877 587 HA LEU 76 HA LEU 76 10.839 3.531 -2.143 588 HB2 LEU 76 HB2 LEU 76 9.723 1.259 -3.834 589 HB3 LEU 76 HB3 LEU 76 9.040 1.855 -2.332 590 HG LEU 76 HG LEU 76 9.240 3.436 -4.918 591 HD11 LEU 76 HD11 LEU 76 7.568 1.537 -4.996 592 HD12 LEU 76 HD12 LEU 76 6.819 3.123 -5.112 593 HD13 LEU 76 HD13 LEU 76 6.778 2.220 -3.583 594 HD21 LEU 76 HD21 LEU 76 7.718 5.050 -3.792 595 HD22 LEU 76 HD22 LEU 76 9.296 4.953 -3.001 596 HD23 LEU 76 HD23 LEU 76 7.892 4.134 -2.281 597 H ALA 77 H ALA 77 12.592 0.887 -3.657 598 HA ALA 77 HA ALA 77 12.569 -0.989 -1.546 599 HB1 ALA 77 HB1 ALA 77 14.420 -2.037 -2.686 600 HB2 ALA 77 HB2 ALA 77 13.359 -1.367 -3.952 601 HB3 ALA 77 HB3 ALA 77 14.862 -0.552 -3.523 602 H ALA 78 H ALA 78 15.211 1.280 -2.436 603 HA ALA 78 HA ALA 78 16.783 0.888 -0.116 604 HB1 ALA 78 HB1 ALA 78 17.607 1.927 -2.172 605 HB2 ALA 78 HB2 ALA 78 16.533 3.339 -1.919 606 HB3 ALA 78 HB3 ALA 78 17.867 3.005 -0.788 607 H ILE 79 H ILE 79 14.002 2.988 -0.663 608 HA ILE 79 HA ILE 79 14.382 4.731 1.571 609 HB ILE 79 HB ILE 79 12.233 4.014 -0.375 610 HG12 ILE 79 HG12 ILE 79 13.365 6.655 0.633 611 HG13 ILE 79 HG13 ILE 79 13.979 5.754 -0.755 612 HG21 ILE 79 HG21 ILE 79 10.517 5.307 0.656 613 HG22 ILE 79 HG22 ILE 79 10.922 3.964 1.676 614 HG23 ILE 79 HG23 ILE 79 11.525 5.599 2.100 615 HD11 ILE 79 HD11 ILE 79 12.541 7.505 -1.573 616 HD12 ILE 79 HD12 ILE 79 11.720 5.944 -1.833 617 HD13 ILE 79 HD13 ILE 79 11.236 7.029 -0.497 618 H ALA 80 H ALA 80 12.713 1.496 1.288 619 HA ALA 80 HA ALA 80 12.052 1.711 4.193 620 HB1 ALA 80 HB1 ALA 80 11.065 -0.157 2.058 621 HB2 ALA 80 HB2 ALA 80 10.459 0.041 3.727 622 HB3 ALA 80 HB3 ALA 80 10.255 1.341 2.542 623 H ALA 81 H ALA 81 14.539 0.420 2.271 624 HA ALA 81 HA ALA 81 14.855 -2.217 3.194 625 HB1 ALA 81 HB1 ALA 81 16.849 -0.101 2.247 626 HB2 ALA 81 HB2 ALA 81 17.273 -1.799 2.503 627 HB3 ALA 81 HB3 ALA 81 16.077 -1.379 1.279 628 HA PRO 82 HA PRO 82 16.960 -3.525 3.763 629 HB2 PRO 82 HB2 PRO 82 17.545 -5.321 5.698 630 HB3 PRO 82 HB3 PRO 82 18.653 -3.979 5.293 631 HG2 PRO 82 HG2 PRO 82 16.548 -4.047 7.490 632 HG3 PRO 82 HG3 PRO 82 18.294 -3.660 7.659 633 HD2 PRO 82 HD2 PRO 82 16.392 -1.729 7.385 634 HD3 PRO 82 HD3 PRO 82 17.979 -1.558 6.594 635 H ALA 83 H ALA 83 14.191 -2.757 5.500 636 HA ALA 83 HA ALA 83 12.981 -5.250 5.931 637 HB1 ALA 83 HB1 ALA 83 11.536 -2.722 5.074 638 HB2 ALA 83 HB2 ALA 83 10.864 -4.091 5.932 639 HB3 ALA 83 HB3 ALA 83 12.064 -3.071 6.753 640 H GLU 84 H GLU 84 11.553 -6.383 4.820 641 HA GLU 84 HA GLU 84 12.048 -6.751 1.981 642 HB2 GLU 84 HB2 GLU 84 10.550 -8.213 4.160 643 HB3 GLU 84 HB3 GLU 84 10.445 -8.730 2.474 644 HG2 GLU 84 HG2 GLU 84 13.109 -8.378 3.931 645 HG3 GLU 84 HG3 GLU 84 12.195 -9.884 3.966 646 H ILE 85 H ILE 85 10.981 -5.525 0.560 647 HA ILE 85 HA ILE 85 8.266 -4.505 1.155 648 HB ILE 85 HB ILE 85 10.646 -3.503 -0.393 649 HG12 ILE 85 HG12 ILE 85 10.079 -1.447 0.615 650 HG13 ILE 85 HG13 ILE 85 8.418 -1.946 0.904 651 HG21 ILE 85 HG21 ILE 85 9.170 -1.837 -1.567 652 HG22 ILE 85 HG22 ILE 85 9.165 -3.473 -2.253 653 HG23 ILE 85 HG23 ILE 85 7.801 -2.910 -1.268 654 HD11 ILE 85 HD11 ILE 85 9.128 -3.424 2.757 655 HD12 ILE 85 HD12 ILE 85 10.830 -2.952 2.454 656 HD13 ILE 85 HD13 ILE 85 9.617 -1.791 3.018 657 H PHE 86 H PHE 86 6.568 -4.846 -0.107 658 HA PHE 86 HA PHE 86 6.861 -6.445 -2.563 659 HB2 PHE 86 HB2 PHE 86 4.778 -7.010 -0.419 660 HB3 PHE 86 HB3 PHE 86 5.140 -7.978 -1.828 661 HD1 PHE 86 HD1 PHE 86 5.921 -7.470 1.688 662 HD2 PHE 86 HD2 PHE 86 7.450 -9.002 -2.012 663 HE1 PHE 86 HE1 PHE 86 7.481 -8.907 2.937 664 HE2 PHE 86 HE2 PHE 86 9.062 -10.450 -0.761 665 HZ PHE 86 HZ PHE 86 9.039 -10.444 1.712 666 H LEU 87 H LEU 87 4.612 -6.719 -3.635 667 HA LEU 87 HA LEU 87 3.270 -4.053 -3.700 668 HB2 LEU 87 HB2 LEU 87 3.963 -5.839 -6.057 669 HB3 LEU 87 HB3 LEU 87 3.023 -4.353 -6.115 670 HG LEU 87 HG LEU 87 5.993 -4.598 -5.464 671 HD11 LEU 87 HD11 LEU 87 4.495 -3.361 -7.820 672 HD12 LEU 87 HD12 LEU 87 5.442 -4.865 -7.839 673 HD13 LEU 87 HD13 LEU 87 6.262 -3.333 -7.559 674 HD21 LEU 87 HD21 LEU 87 4.072 -2.274 -5.287 675 HD22 LEU 87 HD22 LEU 87 5.788 -1.986 -5.703 676 HD23 LEU 87 HD23 LEU 87 5.347 -2.751 -4.172 677 H LEU 88 H LEU 88 1.202 -4.193 -3.381 678 HA LEU 88 HA LEU 88 -0.236 -6.595 -2.820 679 HB2 LEU 88 HB2 LEU 88 -0.621 -4.330 -1.837 680 HB3 LEU 88 HB3 LEU 88 -1.350 -3.808 -3.343 681 HG LEU 88 HG LEU 88 -2.554 -6.321 -2.296 682 HD11 LEU 88 HD11 LEU 88 -2.961 -3.847 -0.604 683 HD12 LEU 88 HD12 LEU 88 -1.943 -5.236 -0.136 684 HD13 LEU 88 HD13 LEU 88 -3.671 -5.449 -0.386 685 HD21 LEU 88 HD21 LEU 88 -3.607 -4.927 -4.079 686 HD22 LEU 88 HD22 LEU 88 -3.740 -3.571 -2.943 687 HD23 LEU 88 HD23 LEU 88 -4.651 -5.072 -2.653 688 H GLU 89 H GLU 89 0.246 -5.126 -5.833 689 HA GLU 89 HA GLU 89 -0.267 -5.636 -7.893 690 HB2 GLU 89 HB2 GLU 89 -0.455 -8.050 -6.852 691 HB3 GLU 89 HB3 GLU 89 -2.160 -7.889 -7.226 692 HG2 GLU 89 HG2 GLU 89 -1.798 -7.856 -9.527 693 HG3 GLU 89 HG3 GLU 89 -0.211 -7.099 -9.400 694 H ASP 90 H ASP 90 -1.742 -5.530 -9.558 695 HA ASP 90 HA ASP 90 -3.261 -4.295 -10.689 696 HB2 ASP 90 HB2 ASP 90 -5.056 -5.957 -8.895 697 HB3 ASP 90 HB3 ASP 90 -5.581 -5.034 -10.297 698 H GLY 91 H GLY 91 -2.121 -2.873 -8.392 699 HA2 GLY 91 HA2 GLY 91 -2.354 -0.789 -7.459 700 HA3 GLY 91 HA3 GLY 91 -3.862 -0.570 -8.372 701 H ILE 92 H ILE 92 -5.816 -1.124 -7.490 702 HA ILE 92 HA ILE 92 -5.835 -2.002 -4.650 703 HB ILE 92 HB ILE 92 -6.112 0.425 -4.796 704 HG12 ILE 92 HG12 ILE 92 -8.679 -0.874 -3.809 705 HG13 ILE 92 HG13 ILE 92 -7.111 -1.095 -3.024 706 HG21 ILE 92 HG21 ILE 92 -8.147 1.455 -5.673 707 HG22 ILE 92 HG22 ILE 92 -7.336 0.588 -6.982 708 HG23 ILE 92 HG23 ILE 92 -8.754 -0.122 -6.193 709 HD11 ILE 92 HD11 ILE 92 -8.699 1.464 -3.293 710 HD12 ILE 92 HD12 ILE 92 -8.107 0.629 -1.840 711 HD13 ILE 92 HD13 ILE 92 -6.969 1.477 -2.897 712 H ASP 93 H ASP 93 -6.810 -2.618 -7.848 713 HA ASP 93 HA ASP 93 -9.398 -3.744 -7.448 714 HB2 ASP 93 HB2 ASP 93 -8.658 -3.232 -9.670 715 HB3 ASP 93 HB3 ASP 93 -7.190 -4.129 -9.451 716 H GLY 94 H GLY 94 -6.114 -4.799 -6.680 717 HA2 GLY 94 HA2 GLY 94 -6.516 -7.555 -6.281 718 HA3 GLY 94 HA3 GLY 94 -5.271 -6.550 -5.514 719 H TRP 95 H TRP 95 -6.710 -4.794 -3.888 720 HA TRP 95 HA TRP 95 -7.371 -6.360 -1.627 721 HB2 TRP 95 HB2 TRP 95 -6.871 -4.055 -1.367 722 HB3 TRP 95 HB3 TRP 95 -8.242 -3.563 -2.362 723 HD1 TRP 95 HD1 TRP 95 -10.029 -2.584 -0.932 724 HE1 TRP 95 HE1 TRP 95 -10.988 -2.950 1.478 725 HE3 TRP 95 HE3 TRP 95 -7.291 -6.660 0.529 726 HZ2 TRP 95 HZ2 TRP 95 -10.532 -4.611 3.700 727 HZ3 TRP 95 HZ3 TRP 95 -7.521 -7.536 2.823 728 HH2 TRP 95 HH2 TRP 95 -9.129 -6.547 4.404 729 H LYS 96 H LYS 96 -9.480 -4.685 -3.976 730 HA LYS 96 HA LYS 96 -11.990 -5.662 -3.087 731 HB2 LYS 96 HB2 LYS 96 -11.408 -3.619 -4.546 732 HB3 LYS 96 HB3 LYS 96 -11.275 -4.728 -5.905 733 HG2 LYS 96 HG2 LYS 96 -13.652 -5.409 -5.553 734 HG3 LYS 96 HG3 LYS 96 -13.755 -4.307 -4.168 735 HD2 LYS 96 HD2 LYS 96 -13.212 -2.409 -5.755 736 HD3 LYS 96 HD3 LYS 96 -13.272 -3.585 -7.090 737 HE2 LYS 96 HE2 LYS 96 -15.623 -4.187 -6.312 738 HE3 LYS 96 HE3 LYS 96 -15.526 -2.854 -5.157 739 HZ1 LYS 96 HZ1 LYS 96 -15.167 -1.378 -7.094 740 HZ2 LYS 96 HZ2 LYS 96 -16.637 -2.098 -7.080 741 HZ3 LYS 96 HZ3 LYS 96 -15.443 -2.649 -8.099 742 H LYS 97 H LYS 97 -9.579 -7.279 -5.038 743 HA LYS 97 HA LYS 97 -11.148 -9.035 -6.562 744 HB2 LYS 97 HB2 LYS 97 -8.429 -8.582 -6.156 745 HB3 LYS 97 HB3 LYS 97 -8.630 -10.141 -5.386 746 HG2 LYS 97 HG2 LYS 97 -7.968 -10.582 -7.575 747 HG3 LYS 97 HG3 LYS 97 -9.713 -10.867 -7.615 748 HD2 LYS 97 HD2 LYS 97 -10.106 -8.710 -8.676 749 HD3 LYS 97 HD3 LYS 97 -8.402 -8.231 -8.421 750 HE2 LYS 97 HE2 LYS 97 -7.639 -10.068 -9.849 751 HE3 LYS 97 HE3 LYS 97 -9.324 -10.564 -10.131 752 HZ1 LYS 97 HZ1 LYS 97 -8.310 -9.157 -11.873 753 HZ2 LYS 97 HZ2 LYS 97 -8.263 -7.900 -10.813 754 HZ3 LYS 97 HZ3 LYS 97 -9.717 -8.503 -11.243 755 H ALA 98 H ALA 98 -10.226 -9.117 -3.192 756 HA ALA 98 HA ALA 98 -11.269 -11.827 -2.719 757 HB1 ALA 98 HB1 ALA 98 -9.831 -9.743 -1.038 758 HB2 ALA 98 HB2 ALA 98 -10.393 -11.315 -0.396 759 HB3 ALA 98 HB3 ALA 98 -9.174 -11.256 -1.679 760 H GLY 99 H GLY 99 -12.876 -9.056 -3.322 761 HA2 GLY 99 HA2 GLY 99 -14.955 -8.325 -2.858 762 HA3 GLY 99 HA3 GLY 99 -15.233 -9.812 -1.957 763 H LEU 100 H LEU 100 -12.655 -7.515 -0.964 764 HA LEU 100 HA LEU 100 -14.202 -7.030 1.525 765 HB2 LEU 100 HB2 LEU 100 -11.266 -6.790 0.859 766 HB3 LEU 100 HB3 LEU 100 -11.982 -6.251 2.363 767 HG LEU 100 HG LEU 100 -12.710 -9.043 1.761 768 HD11 LEU 100 HD11 LEU 100 -9.816 -8.541 2.490 769 HD12 LEU 100 HD12 LEU 100 -10.320 -8.822 0.832 770 HD13 LEU 100 HD13 LEU 100 -10.596 -10.075 2.065 771 HD21 LEU 100 HD21 LEU 100 -13.084 -7.916 3.956 772 HD22 LEU 100 HD22 LEU 100 -11.328 -7.702 4.141 773 HD23 LEU 100 HD23 LEU 100 -12.026 -9.333 4.124 774 HA PRO 101 HA PRO 101 -14.458 -2.669 0.344 775 HB2 PRO 101 HB2 PRO 101 -15.468 -1.618 2.629 776 HB3 PRO 101 HB3 PRO 101 -16.415 -2.829 1.706 777 HG2 PRO 101 HG2 PRO 101 -14.668 -3.278 4.146 778 HG3 PRO 101 HG3 PRO 101 -16.334 -3.862 3.852 779 HD2 PRO 101 HD2 PRO 101 -14.076 -5.393 3.361 780 HD3 PRO 101 HD3 PRO 101 -15.594 -5.561 2.432 781 H VAL 102 H VAL 102 -13.238 -0.689 0.692 782 HA VAL 102 HA VAL 102 -10.719 -0.977 2.204 783 HB VAL 102 HB VAL 102 -10.242 1.253 1.256 784 HG11 VAL 102 HG11 VAL 102 -11.285 -0.683 -0.837 785 HG12 VAL 102 HG12 VAL 102 -10.244 0.709 -1.158 786 HG13 VAL 102 HG13 VAL 102 -9.636 -0.603 -0.144 787 HG21 VAL 102 HG21 VAL 102 -11.800 2.223 -0.435 788 HG22 VAL 102 HG22 VAL 102 -13.054 1.146 0.135 789 HG23 VAL 102 HG23 VAL 102 -12.318 2.342 1.247 790 H ALA 103 H ALA 103 -10.197 1.382 3.399 791 HA ALA 103 HA ALA 103 -12.165 1.535 5.549 792 HB1 ALA 103 HB1 ALA 103 -10.564 2.880 6.684 793 HB2 ALA 103 HB2 ALA 103 -9.639 1.572 5.901 794 HB3 ALA 103 HB3 ALA 103 -9.669 3.212 5.210 795 H VAL 104 H VAL 104 -13.845 2.261 4.080 796 HA VAL 104 HA VAL 104 -13.671 4.925 2.890 797 HB VAL 104 HB VAL 104 -16.341 4.281 2.781 798 HG11 VAL 104 HG11 VAL 104 -14.273 3.082 0.917 799 HG12 VAL 104 HG12 VAL 104 -15.984 3.287 0.568 800 HG13 VAL 104 HG13 VAL 104 -14.954 4.696 0.795 801 HG21 VAL 104 HG21 VAL 104 -16.058 2.145 4.052 802 HG22 VAL 104 HG22 VAL 104 -16.712 1.915 2.429 803 HG23 VAL 104 HG23 VAL 104 -15.011 1.551 2.742 804 H ASN 105 H ASN 105 -15.240 6.668 3.576 805 HA ASN 105 HA ASN 105 -15.952 6.532 6.482 806 HB2 ASN 105 HB2 ASN 105 -15.046 8.993 4.921 807 HB3 ASN 105 HB3 ASN 105 -15.478 8.925 6.610 808 HD21 ASN 105 HD21 ASN 105 -14.106 7.532 8.068 809 HD22 ASN 105 HD22 ASN 105 -12.401 7.451 7.678 810 H LYS 106 H LYS 106 -17.305 6.686 3.362 811 HA LYS 106 HA LYS 106 -19.826 7.770 4.444 812 HB2 LYS 106 HB2 LYS 106 -18.335 9.602 3.383 813 HB3 LYS 106 HB3 LYS 106 -18.630 8.788 1.850 814 HG2 LYS 106 HG2 LYS 106 -21.064 9.186 2.117 815 HG3 LYS 106 HG3 LYS 106 -20.788 9.902 3.705 816 HD2 LYS 106 HD2 LYS 106 -19.882 11.825 2.855 817 HD3 LYS 106 HD3 LYS 106 -19.245 11.065 1.386 818 HE2 LYS 106 HE2 LYS 106 -22.227 11.380 1.862 819 HE3 LYS 106 HE3 LYS 106 -21.253 12.664 1.132 820 HZ1 LYS 106 HZ1 LYS 106 -20.638 11.210 -0.623 821 HZ2 LYS 106 HZ2 LYS 106 -22.244 11.245 -0.544 822 HZ3 LYS 106 HZ3 LYS 106 -21.457 9.915 0.021 823 H SER 107 H SER 107 -18.729 5.043 3.577 824 HA SER 107 HA SER 107 -20.930 4.373 1.761 825 HB2 SER 107 HB2 SER 107 -18.802 4.965 0.444 826 HB3 SER 107 HB3 SER 107 -18.031 3.608 1.250 827 HG SER 107 HG SER 107 -20.304 3.457 -0.481 828 H GLN 108 H GLN 108 -21.916 2.729 2.894 829 HA GLN 108 HA GLN 108 -20.328 0.658 4.195 830 HB2 GLN 108 HB2 GLN 108 -22.307 2.432 5.735 831 HB3 GLN 108 HB3 GLN 108 -21.744 0.852 6.273 832 HG2 GLN 108 HG2 GLN 108 -19.362 1.731 6.150 833 HG3 GLN 108 HG3 GLN 108 -20.042 3.333 5.834 834 HE21 GLN 108 HE21 GLN 108 -19.394 0.935 8.271 835 HE22 GLN 108 HE22 GLN 108 -19.878 1.909 9.653 Start of MODEL 13 1 H ALA 1 H ALA 1 12.915 -9.569 -0.660 2 HA ALA 1 HA ALA 1 11.263 -7.940 -1.139 3 HB1 ALA 1 HB1 ALA 1 13.832 -7.090 -2.532 4 HB2 ALA 1 HB2 ALA 1 12.600 -6.019 -1.833 5 HB3 ALA 1 HB3 ALA 1 13.570 -7.064 -0.781 6 H LEU 2 H LEU 2 10.565 -6.321 -2.802 7 HA LEU 2 HA LEU 2 9.212 -5.905 -4.483 8 HB2 LEU 2 HB2 LEU 2 11.621 -6.819 -6.101 9 HB3 LEU 2 HB3 LEU 2 10.289 -5.848 -6.727 10 HG LEU 2 HG LEU 2 12.314 -5.000 -4.637 11 HD11 LEU 2 HD11 LEU 2 11.615 -3.911 -7.403 12 HD12 LEU 2 HD12 LEU 2 13.041 -4.888 -6.993 13 HD13 LEU 2 HD13 LEU 2 12.855 -3.279 -6.297 14 HD21 LEU 2 HD21 LEU 2 9.628 -3.822 -5.370 15 HD22 LEU 2 HD22 LEU 2 10.963 -2.755 -4.911 16 HD23 LEU 2 HD23 LEU 2 10.435 -3.990 -3.789 17 H THR 3 H THR 3 8.756 -8.660 -3.534 18 HA THR 3 HA THR 3 7.959 -10.136 -5.943 19 HB THR 3 HB THR 3 7.770 -10.562 -2.952 20 HG1 THR 3 HG1 THR 3 9.340 -12.155 -3.407 21 HG21 THR 3 HG21 THR 3 5.954 -11.810 -3.686 22 HG22 THR 3 HG22 THR 3 7.248 -12.985 -3.529 23 HG23 THR 3 HG23 THR 3 6.815 -12.383 -5.143 24 H THR 4 H THR 4 5.776 -10.529 -6.503 25 HA THR 4 HA THR 4 3.838 -8.499 -5.562 26 HB THR 4 HB THR 4 2.326 -9.516 -7.344 27 HG1 THR 4 HG1 THR 4 3.052 -10.944 -8.649 28 HG21 THR 4 HG21 THR 4 4.952 -8.241 -8.233 29 HG22 THR 4 HG22 THR 4 3.452 -7.405 -7.751 30 HG23 THR 4 HG23 THR 4 3.474 -8.385 -9.220 31 H ILE 5 H ILE 5 1.618 -9.307 -4.706 32 HA ILE 5 HA ILE 5 1.771 -12.144 -3.862 33 HB ILE 5 HB ILE 5 2.992 -11.238 -2.165 34 HG12 ILE 5 HG12 ILE 5 0.278 -11.162 -0.855 35 HG13 ILE 5 HG13 ILE 5 0.994 -12.660 -1.469 36 HG21 ILE 5 HG21 ILE 5 2.808 -8.888 -2.486 37 HG22 ILE 5 HG22 ILE 5 1.081 -8.890 -2.063 38 HG23 ILE 5 HG23 ILE 5 2.323 -9.180 -0.828 39 HD11 ILE 5 HD11 ILE 5 2.970 -12.367 -0.089 40 HD12 ILE 5 HD12 ILE 5 2.361 -10.834 0.547 41 HD13 ILE 5 HD13 ILE 5 1.509 -12.343 0.919 42 H SER 6 H SER 6 -0.068 -13.195 -3.690 43 HA SER 6 HA SER 6 -2.441 -12.273 -4.782 44 HB2 SER 6 HB2 SER 6 -2.135 -14.453 -2.667 45 HB3 SER 6 HB3 SER 6 -3.504 -14.257 -3.772 46 HG SER 6 HG SER 6 -2.244 -15.743 -4.675 47 HA PRO 7 HA PRO 7 -4.214 -9.784 -1.636 48 HB2 PRO 7 HB2 PRO 7 -6.905 -9.952 -2.053 49 HB3 PRO 7 HB3 PRO 7 -5.736 -9.057 -3.057 50 HG2 PRO 7 HG2 PRO 7 -6.775 -11.876 -3.508 51 HG3 PRO 7 HG3 PRO 7 -6.731 -10.543 -4.698 52 HD2 PRO 7 HD2 PRO 7 -4.782 -12.408 -4.644 53 HD3 PRO 7 HD3 PRO 7 -4.367 -10.695 -4.908 54 H HIS 8 H HIS 8 -5.081 -13.106 -1.792 55 HA HIS 8 HA HIS 8 -6.591 -13.412 0.619 56 HB2 HIS 8 HB2 HIS 8 -6.716 -15.070 -1.071 57 HB3 HIS 8 HB3 HIS 8 -4.963 -15.255 -1.173 58 HD1 HIS 8 HD1 HIS 8 -3.974 -17.258 0.231 59 HD2 HIS 8 HD2 HIS 8 -7.724 -15.829 1.520 60 HE1 HIS 8 HE1 HIS 8 -4.747 -18.820 2.094 61 H ASP 9 H ASP 9 -3.131 -13.974 -0.118 62 HA ASP 9 HA ASP 9 -2.372 -14.578 2.624 63 HB2 ASP 9 HB2 ASP 9 -0.973 -14.177 -0.027 64 HB3 ASP 9 HB3 ASP 9 -0.021 -13.958 1.436 65 H ALA 10 H ALA 10 -2.362 -11.786 0.454 66 HA ALA 10 HA ALA 10 -0.957 -10.077 2.235 67 HB1 ALA 10 HB1 ALA 10 -1.072 -9.534 -0.148 68 HB2 ALA 10 HB2 ALA 10 -2.839 -9.658 -0.129 69 HB3 ALA 10 HB3 ALA 10 -2.052 -8.295 0.661 70 H GLN 11 H GLN 11 -4.473 -10.735 2.019 71 HA GLN 11 HA GLN 11 -5.160 -8.561 3.749 72 HB2 GLN 11 HB2 GLN 11 -6.745 -9.740 2.352 73 HB3 GLN 11 HB3 GLN 11 -6.409 -11.286 3.135 74 HG2 GLN 11 HG2 GLN 11 -7.271 -9.009 4.860 75 HG3 GLN 11 HG3 GLN 11 -8.479 -9.686 3.756 76 HE21 GLN 11 HE21 GLN 11 -7.603 -9.838 6.858 77 HE22 GLN 11 HE22 GLN 11 -7.963 -11.494 7.290 78 H GLU 12 H GLU 12 -3.546 -11.649 4.292 79 HA GLU 12 HA GLU 12 -4.231 -11.752 7.093 80 HB2 GLU 12 HB2 GLU 12 -4.110 -13.802 5.759 81 HB3 GLU 12 HB3 GLU 12 -2.395 -13.511 5.397 82 HG2 GLU 12 HG2 GLU 12 -1.824 -13.515 7.721 83 HG3 GLU 12 HG3 GLU 12 -3.528 -13.629 8.174 84 H LEU 13 H LEU 13 -1.113 -11.410 5.242 85 HA LEU 13 HA LEU 13 0.485 -10.994 7.513 86 HB2 LEU 13 HB2 LEU 13 2.184 -10.060 6.110 87 HB3 LEU 13 HB3 LEU 13 1.395 -11.419 5.340 88 HG LEU 13 HG LEU 13 -0.106 -9.494 4.229 89 HD11 LEU 13 HD11 LEU 13 1.203 -7.466 3.785 90 HD12 LEU 13 HD12 LEU 13 2.536 -8.086 4.744 91 HD13 LEU 13 HD13 LEU 13 0.964 -7.616 5.440 92 HD21 LEU 13 HD21 LEU 13 2.693 -10.127 3.259 93 HD22 LEU 13 HD22 LEU 13 1.339 -9.500 2.282 94 HD23 LEU 13 HD23 LEU 13 1.246 -11.120 2.997 95 H ILE 14 H ILE 14 -1.404 -8.627 5.691 96 HA ILE 14 HA ILE 14 -0.660 -6.356 7.138 97 HB ILE 14 HB ILE 14 -2.710 -7.226 5.262 98 HG12 ILE 14 HG12 ILE 14 -1.624 -4.487 5.897 99 HG13 ILE 14 HG13 ILE 14 -0.763 -5.739 4.960 100 HG21 ILE 14 HG21 ILE 14 -4.550 -5.612 5.705 101 HG22 ILE 14 HG22 ILE 14 -4.441 -7.018 6.760 102 HG23 ILE 14 HG23 ILE 14 -3.889 -5.438 7.349 103 HD11 ILE 14 HD11 ILE 14 -2.628 -5.869 3.366 104 HD12 ILE 14 HD12 ILE 14 -3.442 -4.557 4.215 105 HD13 ILE 14 HD13 ILE 14 -1.892 -4.230 3.437 106 H ALA 15 H ALA 15 -3.465 -8.598 7.890 107 HA ALA 15 HA ALA 15 -4.211 -7.205 10.244 108 HB1 ALA 15 HB1 ALA 15 -4.543 -10.162 9.547 109 HB2 ALA 15 HB2 ALA 15 -5.439 -9.276 10.797 110 HB3 ALA 15 HB3 ALA 15 -5.654 -8.852 9.090 111 H ARG 16 H ARG 16 -1.627 -9.437 9.594 112 HA ARG 16 HA ARG 16 -1.117 -10.256 12.339 113 HB2 ARG 16 HB2 ARG 16 0.792 -10.327 9.982 114 HB3 ARG 16 HB3 ARG 16 0.992 -11.122 11.521 115 HG2 ARG 16 HG2 ARG 16 -1.563 -11.669 10.041 116 HG3 ARG 16 HG3 ARG 16 -0.095 -12.322 9.363 117 HD2 ARG 16 HD2 ARG 16 0.406 -13.559 11.398 118 HD3 ARG 16 HD3 ARG 16 -0.880 -12.722 12.276 119 HE ARG 16 HE ARG 16 -1.147 -15.068 10.635 120 HH11 ARG 16 HH11 ARG 16 -2.952 -12.112 11.461 121 HH12 ARG 16 HH12 ARG 16 -4.491 -12.837 11.112 122 HH21 ARG 16 HH21 ARG 16 -3.154 -16.051 10.482 123 HH22 ARG 16 HH22 ARG 16 -4.619 -15.145 10.691 124 H GLY 17 H GLY 17 0.516 -7.919 10.134 125 HA2 GLY 17 HA2 GLY 17 0.703 -5.839 11.976 126 HA3 GLY 17 HA3 GLY 17 2.128 -6.852 12.277 127 H ALA 18 H ALA 18 2.063 -7.399 9.114 128 HA ALA 18 HA ALA 18 4.092 -5.492 8.547 129 HB1 ALA 18 HB1 ALA 18 4.012 -7.483 7.243 130 HB2 ALA 18 HB2 ALA 18 2.286 -7.227 6.924 131 HB3 ALA 18 HB3 ALA 18 3.496 -6.182 6.127 132 H LYS 19 H LYS 19 4.014 -3.680 7.144 133 HA LYS 19 HA LYS 19 1.394 -2.214 7.241 134 HB2 LYS 19 HB2 LYS 19 4.283 -1.256 6.991 135 HB3 LYS 19 HB3 LYS 19 2.891 -0.190 6.972 136 HG2 LYS 19 HG2 LYS 19 3.697 -1.952 9.337 137 HG3 LYS 19 HG3 LYS 19 4.046 -0.236 9.149 138 HD2 LYS 19 HD2 LYS 19 2.161 -0.012 10.398 139 HD3 LYS 19 HD3 LYS 19 1.372 -0.128 8.803 140 HE2 LYS 19 HE2 LYS 19 1.210 -2.628 9.218 141 HE3 LYS 19 HE3 LYS 19 1.709 -2.324 10.872 142 HZ1 LYS 19 HZ1 LYS 19 -0.673 -1.146 9.550 143 HZ2 LYS 19 HZ2 LYS 19 -0.230 -0.919 11.137 144 HZ3 LYS 19 HZ3 LYS 19 -0.657 -2.427 10.565 145 H LEU 20 H LEU 20 1.040 -0.604 5.514 146 HA LEU 20 HA LEU 20 2.066 -1.293 2.878 147 HB2 LEU 20 HB2 LEU 20 -0.036 -2.517 3.027 148 HB3 LEU 20 HB3 LEU 20 -0.859 -1.116 3.725 149 HG LEU 20 HG LEU 20 -0.518 0.141 1.638 150 HD11 LEU 20 HD11 LEU 20 0.559 -2.396 0.411 151 HD12 LEU 20 HD12 LEU 20 1.501 -0.930 0.785 152 HD13 LEU 20 HD13 LEU 20 0.218 -0.832 -0.386 153 HD21 LEU 20 HD21 LEU 20 -2.547 -1.210 1.975 154 HD22 LEU 20 HD22 LEU 20 -1.813 -2.563 1.121 155 HD23 LEU 20 HD23 LEU 20 -2.137 -1.042 0.263 156 H ILE 21 H ILE 21 2.010 0.742 1.567 157 HA ILE 21 HA ILE 21 1.509 3.217 3.171 158 HB ILE 21 HB ILE 21 3.784 2.780 1.220 159 HG12 ILE 21 HG12 ILE 21 4.216 1.227 3.088 160 HG13 ILE 21 HG13 ILE 21 5.395 2.485 2.893 161 HG21 ILE 21 HG21 ILE 21 3.284 4.921 3.319 162 HG22 ILE 21 HG22 ILE 21 4.749 4.800 2.313 163 HG23 ILE 21 HG23 ILE 21 3.183 5.121 1.562 164 HD11 ILE 21 HD11 ILE 21 4.610 3.664 4.859 165 HD12 ILE 21 HD12 ILE 21 3.175 2.628 4.981 166 HD13 ILE 21 HD13 ILE 21 4.787 1.954 5.282 167 H ASP 22 H ASP 22 0.335 4.688 2.202 168 HA ASP 22 HA ASP 22 -0.722 4.108 -0.458 169 HB2 ASP 22 HB2 ASP 22 -1.366 6.055 1.750 170 HB3 ASP 22 HB3 ASP 22 -1.976 6.314 0.133 171 H ILE 23 H ILE 23 1.436 4.234 -1.353 172 HA ILE 23 HA ILE 23 2.652 6.857 -1.769 173 HB ILE 23 HB ILE 23 4.150 5.624 -3.287 174 HG12 ILE 23 HG12 ILE 23 2.917 3.011 -2.309 175 HG13 ILE 23 HG13 ILE 23 2.311 3.779 -3.764 176 HG21 ILE 23 HG21 ILE 23 5.375 4.516 -1.544 177 HG22 ILE 23 HG22 ILE 23 4.516 5.884 -0.798 178 HG23 ILE 23 HG23 ILE 23 3.896 4.250 -0.591 179 HD11 ILE 23 HD11 ILE 23 4.574 3.787 -4.753 180 HD12 ILE 23 HD12 ILE 23 5.196 2.968 -3.302 181 HD13 ILE 23 HD13 ILE 23 4.008 2.151 -4.354 182 H ARG 24 H ARG 24 0.028 6.923 -2.373 183 HA ARG 24 HA ARG 24 -0.198 7.173 -5.339 184 HB2 ARG 24 HB2 ARG 24 -2.800 6.786 -4.614 185 HB3 ARG 24 HB3 ARG 24 -1.713 5.529 -5.153 186 HG2 ARG 24 HG2 ARG 24 -1.349 4.651 -3.029 187 HG3 ARG 24 HG3 ARG 24 -1.877 6.122 -2.202 188 HD2 ARG 24 HD2 ARG 24 -3.953 4.686 -3.812 189 HD3 ARG 24 HD3 ARG 24 -3.362 3.915 -2.326 190 HE ARG 24 HE ARG 24 -3.889 6.663 -1.837 191 HH11 ARG 24 HH11 ARG 24 -5.457 3.526 -2.074 192 HH12 ARG 24 HH12 ARG 24 -6.808 3.921 -1.067 193 HH21 ARG 24 HH21 ARG 24 -5.607 7.215 -0.447 194 HH22 ARG 24 HH22 ARG 24 -6.921 6.127 -0.173 195 H ASP 25 H ASP 25 -2.697 8.292 -2.987 196 HA ASP 25 HA ASP 25 -1.727 11.012 -3.049 197 HB2 ASP 25 HB2 ASP 25 -2.910 10.380 -5.355 198 HB3 ASP 25 HB3 ASP 25 -4.384 10.478 -4.404 199 H ALA 26 H ALA 26 -3.167 12.368 -1.901 200 HA ALA 26 HA ALA 26 -4.489 11.197 0.442 201 HB1 ALA 26 HB1 ALA 26 -4.562 13.541 1.168 202 HB2 ALA 26 HB2 ALA 26 -2.929 13.207 0.555 203 HB3 ALA 26 HB3 ALA 26 -4.088 14.108 -0.445 204 H ASP 27 H ASP 27 -5.274 12.695 -2.664 205 HA ASP 27 HA ASP 27 -7.937 13.523 -2.000 206 HB2 ASP 27 HB2 ASP 27 -6.421 14.198 -3.995 207 HB3 ASP 27 HB3 ASP 27 -7.025 12.727 -4.780 208 H GLU 28 H GLU 28 -6.540 10.507 -3.160 209 HA GLU 28 HA GLU 28 -9.019 9.128 -3.713 210 HB2 GLU 28 HB2 GLU 28 -6.233 8.108 -2.947 211 HB3 GLU 28 HB3 GLU 28 -7.539 7.077 -3.499 212 HG2 GLU 28 HG2 GLU 28 -6.113 9.247 -5.050 213 HG3 GLU 28 HG3 GLU 28 -5.989 7.505 -5.288 214 H TYR 29 H TYR 29 -6.850 9.338 -0.984 215 HA TYR 29 HA TYR 29 -7.992 7.541 0.906 216 HB2 TYR 29 HB2 TYR 29 -5.687 8.709 0.801 217 HB3 TYR 29 HB3 TYR 29 -6.467 10.074 1.548 218 HD1 TYR 29 HD1 TYR 29 -5.314 6.572 2.035 219 HD2 TYR 29 HD2 TYR 29 -7.083 10.030 3.918 220 HE1 TYR 29 HE1 TYR 29 -4.836 5.617 4.246 221 HE2 TYR 29 HE2 TYR 29 -6.636 9.058 6.137 222 HH TYR 29 HH TYR 29 -5.850 7.192 7.295 223 H LEU 30 H LEU 30 -9.530 10.252 -0.361 224 HA LEU 30 HA LEU 30 -10.800 11.251 2.050 225 HB2 LEU 30 HB2 LEU 30 -9.929 12.574 0.017 226 HB3 LEU 30 HB3 LEU 30 -11.318 11.964 -0.874 227 HG LEU 30 HG LEU 30 -11.444 13.503 1.715 228 HD11 LEU 30 HD11 LEU 30 -11.886 14.506 -1.135 229 HD12 LEU 30 HD12 LEU 30 -10.469 14.857 -0.130 230 HD13 LEU 30 HD13 LEU 30 -12.051 15.463 0.361 231 HD21 LEU 30 HD21 LEU 30 -13.816 13.952 0.999 232 HD22 LEU 30 HD22 LEU 30 -13.530 12.276 1.412 233 HD23 LEU 30 HD23 LEU 30 -13.619 12.761 -0.299 234 H ARG 31 H ARG 31 -11.937 9.994 -1.134 235 HA ARG 31 HA ARG 31 -14.545 9.232 -0.057 236 HB2 ARG 31 HB2 ARG 31 -13.156 9.125 -2.762 237 HB3 ARG 31 HB3 ARG 31 -14.646 8.218 -2.528 238 HG2 ARG 31 HG2 ARG 31 -14.515 11.132 -1.755 239 HG3 ARG 31 HG3 ARG 31 -14.778 10.653 -3.441 240 HD2 ARG 31 HD2 ARG 31 -16.835 9.545 -2.931 241 HD3 ARG 31 HD3 ARG 31 -16.491 9.523 -1.200 242 HE ARG 31 HE ARG 31 -17.455 11.530 -0.974 243 HH11 ARG 31 HH11 ARG 31 -16.704 11.200 -4.427 244 HH12 ARG 31 HH12 ARG 31 -17.243 12.786 -4.851 245 HH21 ARG 31 HH21 ARG 31 -18.140 13.588 -1.500 246 HH22 ARG 31 HH22 ARG 31 -18.060 14.234 -3.121 247 H GLU 32 H GLU 32 -11.474 7.524 -0.647 248 HA GLU 32 HA GLU 32 -12.751 5.026 0.295 249 HB2 GLU 32 HB2 GLU 32 -10.905 5.335 -2.120 250 HB3 GLU 32 HB3 GLU 32 -11.559 3.838 -1.473 251 HG2 GLU 32 HG2 GLU 32 -13.849 4.550 -2.121 252 HG3 GLU 32 HG3 GLU 32 -13.195 6.043 -2.814 253 H HIS 33 H HIS 33 -10.757 3.390 0.590 254 HA HIS 33 HA HIS 33 -8.317 4.901 1.329 255 HB2 HIS 33 HB2 HIS 33 -9.837 3.234 3.329 256 HB3 HIS 33 HB3 HIS 33 -8.162 3.802 3.496 257 HD1 HIS 33 HD1 HIS 33 -7.766 6.090 4.557 258 HD2 HIS 33 HD2 HIS 33 -11.706 5.425 3.235 259 HE1 HIS 33 HE1 HIS 33 -9.173 7.972 5.501 260 H ILE 34 H ILE 34 -8.090 1.949 2.735 261 HA ILE 34 HA ILE 34 -7.861 0.102 0.619 262 HB ILE 34 HB ILE 34 -5.773 2.129 0.751 263 HG12 ILE 34 HG12 ILE 34 -6.573 0.061 -1.038 264 HG13 ILE 34 HG13 ILE 34 -5.814 1.604 -1.339 265 HG21 ILE 34 HG21 ILE 34 -3.748 1.133 1.212 266 HG22 ILE 34 HG22 ILE 34 -4.772 0.856 2.653 267 HG23 ILE 34 HG23 ILE 34 -4.484 -0.444 1.518 268 HD11 ILE 34 HD11 ILE 34 -4.400 -1.042 -0.789 269 HD12 ILE 34 HD12 ILE 34 -4.478 -0.099 -2.289 270 HD13 ILE 34 HD13 ILE 34 -3.578 0.544 -0.939 271 HA PRO 35 HA PRO 35 -7.104 -2.682 4.077 272 HB2 PRO 35 HB2 PRO 35 -5.358 -4.537 3.031 273 HB3 PRO 35 HB3 PRO 35 -7.091 -4.440 2.719 274 HG2 PRO 35 HG2 PRO 35 -4.883 -3.581 0.837 275 HG3 PRO 35 HG3 PRO 35 -6.364 -4.275 0.492 276 HD2 PRO 35 HD2 PRO 35 -6.070 -1.627 0.292 277 HD3 PRO 35 HD3 PRO 35 -7.631 -2.364 0.698 278 H GLU 36 H GLU 36 -6.253 -1.544 5.543 279 HA GLU 36 HA GLU 36 -4.997 -0.679 7.139 280 HB2 GLU 36 HB2 GLU 36 -4.227 -3.302 6.569 281 HB3 GLU 36 HB3 GLU 36 -2.700 -2.481 6.746 282 HG2 GLU 36 HG2 GLU 36 -3.187 -3.181 8.907 283 HG3 GLU 36 HG3 GLU 36 -3.709 -1.494 8.942 284 H ALA 37 H ALA 37 -3.885 0.420 4.309 285 HA ALA 37 HA ALA 37 -1.175 1.092 4.998 286 HB1 ALA 37 HB1 ALA 37 -2.136 0.977 2.697 287 HB2 ALA 37 HB2 ALA 37 -2.951 2.513 3.009 288 HB3 ALA 37 HB3 ALA 37 -1.179 2.432 2.995 289 H ASP 38 H ASP 38 -0.631 3.645 4.589 290 HA ASP 38 HA ASP 38 -2.253 5.457 6.228 291 HB2 ASP 38 HB2 ASP 38 -0.536 4.613 7.805 292 HB3 ASP 38 HB3 ASP 38 0.720 5.045 6.625 293 H LEU 39 H LEU 39 -2.052 7.527 5.487 294 HA LEU 39 HA LEU 39 -1.363 7.905 2.778 295 HB2 LEU 39 HB2 LEU 39 -3.239 9.020 3.797 296 HB3 LEU 39 HB3 LEU 39 -2.186 9.815 4.971 297 HG LEU 39 HG LEU 39 -1.085 11.097 3.145 298 HD11 LEU 39 HD11 LEU 39 -1.352 9.499 1.263 299 HD12 LEU 39 HD12 LEU 39 -2.045 11.063 0.867 300 HD13 LEU 39 HD13 LEU 39 -3.105 9.706 1.332 301 HD21 LEU 39 HD21 LEU 39 -2.904 12.611 2.765 302 HD22 LEU 39 HD22 LEU 39 -3.102 11.919 4.368 303 HD23 LEU 39 HD23 LEU 39 -4.113 11.327 3.040 304 H ALA 40 H ALA 40 0.645 7.953 2.064 305 HA ALA 40 HA ALA 40 2.482 10.068 2.813 306 HB1 ALA 40 HB1 ALA 40 4.380 8.569 3.257 307 HB2 ALA 40 HB2 ALA 40 3.120 8.398 4.497 308 HB3 ALA 40 HB3 ALA 40 3.285 7.169 3.229 309 HA PRO 41 HA PRO 41 2.016 8.729 -1.600 310 HB2 PRO 41 HB2 PRO 41 1.944 11.192 -2.774 311 HB3 PRO 41 HB3 PRO 41 0.531 10.374 -2.047 312 HG2 PRO 41 HG2 PRO 41 2.312 12.471 -0.826 313 HG3 PRO 41 HG3 PRO 41 0.525 12.407 -0.819 314 HD2 PRO 41 HD2 PRO 41 2.014 11.555 1.307 315 HD3 PRO 41 HD3 PRO 41 0.494 10.750 0.850 316 H LEU 42 H LEU 42 3.454 9.241 -3.551 317 HA LEU 42 HA LEU 42 6.125 8.737 -2.969 318 HB2 LEU 42 HB2 LEU 42 5.045 8.239 -5.082 319 HB3 LEU 42 HB3 LEU 42 4.928 9.947 -5.493 320 HG LEU 42 HG LEU 42 7.672 8.927 -4.832 321 HD11 LEU 42 HD11 LEU 42 6.796 7.069 -6.180 322 HD12 LEU 42 HD12 LEU 42 8.017 7.972 -7.071 323 HD13 LEU 42 HD13 LEU 42 6.291 8.215 -7.451 324 HD21 LEU 42 HD21 LEU 42 6.564 10.730 -7.041 325 HD22 LEU 42 HD22 LEU 42 8.279 10.346 -6.797 326 HD23 LEU 42 HD23 LEU 42 7.395 11.266 -5.566 327 H SER 43 H SER 43 4.560 11.904 -3.500 328 HA SER 43 HA SER 43 6.856 13.509 -3.598 329 HB2 SER 43 HB2 SER 43 3.979 13.917 -2.793 330 HB3 SER 43 HB3 SER 43 5.148 15.224 -2.521 331 HG SER 43 HG SER 43 5.682 15.187 -4.660 332 H VAL 44 H VAL 44 5.564 11.837 -0.765 333 HA VAL 44 HA VAL 44 7.179 13.559 1.033 334 HB VAL 44 HB VAL 44 5.431 11.216 1.853 335 HG11 VAL 44 HG11 VAL 44 5.358 12.429 3.972 336 HG12 VAL 44 HG12 VAL 44 7.046 12.180 3.500 337 HG13 VAL 44 HG13 VAL 44 6.297 13.773 3.291 338 HG21 VAL 44 HG21 VAL 44 4.577 14.123 1.522 339 HG22 VAL 44 HG22 VAL 44 3.942 12.720 0.637 340 HG23 VAL 44 HG23 VAL 44 3.644 12.868 2.369 341 H LEU 45 H LEU 45 6.877 10.219 -0.191 342 HA LEU 45 HA LEU 45 8.936 8.985 1.347 343 HB2 LEU 45 HB2 LEU 45 7.771 8.463 -1.411 344 HB3 LEU 45 HB3 LEU 45 9.066 7.487 -0.799 345 HG LEU 45 HG LEU 45 6.440 6.902 -0.568 346 HD11 LEU 45 HD11 LEU 45 8.660 6.017 1.308 347 HD12 LEU 45 HD12 LEU 45 8.155 5.283 -0.243 348 HD13 LEU 45 HD13 LEU 45 7.081 5.208 1.147 349 HD21 LEU 45 HD21 LEU 45 7.158 7.912 2.233 350 HD22 LEU 45 HD22 LEU 45 5.700 7.015 1.755 351 HD23 LEU 45 HD23 LEU 45 5.929 8.632 1.141 352 H GLU 46 H GLU 46 9.093 10.746 -1.803 353 HA GLU 46 HA GLU 46 11.921 10.360 -2.090 354 HB2 GLU 46 HB2 GLU 46 9.696 11.931 -3.468 355 HB3 GLU 46 HB3 GLU 46 11.351 12.052 -3.982 356 HG2 GLU 46 HG2 GLU 46 9.772 9.465 -3.904 357 HG3 GLU 46 HG3 GLU 46 10.031 10.473 -5.327 358 H GLN 47 H GLN 47 9.997 12.572 -0.240 359 HA GLN 47 HA GLN 47 11.961 14.786 -0.508 360 HB2 GLN 47 HB2 GLN 47 9.277 14.416 0.811 361 HB3 GLN 47 HB3 GLN 47 10.373 15.597 1.496 362 HG2 GLN 47 HG2 GLN 47 9.702 15.585 -1.479 363 HG3 GLN 47 HG3 GLN 47 8.723 16.411 -0.265 364 HE21 GLN 47 HE21 GLN 47 10.643 17.380 -2.576 365 HE22 GLN 47 HE22 GLN 47 11.563 18.616 -1.730 366 H SER 48 H SER 48 11.253 11.939 1.385 367 HA SER 48 HA SER 48 13.650 12.500 3.027 368 HB2 SER 48 HB2 SER 48 11.834 13.469 4.353 369 HB3 SER 48 HB3 SER 48 10.930 11.950 4.276 370 HG SER 48 HG SER 48 12.159 12.089 6.208 371 H GLY 49 H GLY 49 11.126 10.083 3.655 372 HA2 GLY 49 HA2 GLY 49 11.918 7.930 2.152 373 HA3 GLY 49 HA3 GLY 49 12.959 7.935 3.603 374 H LEU 50 H LEU 50 11.472 5.813 3.649 375 HA LEU 50 HA LEU 50 8.826 5.852 4.413 376 HB2 LEU 50 HB2 LEU 50 10.389 3.947 3.743 377 HB3 LEU 50 HB3 LEU 50 10.936 3.900 5.409 378 HG LEU 50 HG LEU 50 9.319 2.179 4.926 379 HD11 LEU 50 HD11 LEU 50 7.701 4.059 6.652 380 HD12 LEU 50 HD12 LEU 50 9.214 3.327 7.217 381 HD13 LEU 50 HD13 LEU 50 7.873 2.310 6.691 382 HD21 LEU 50 HD21 LEU 50 8.088 3.207 3.084 383 HD22 LEU 50 HD22 LEU 50 7.319 4.370 4.187 384 HD23 LEU 50 HD23 LEU 50 6.996 2.654 4.365 385 HA PRO 51 HA PRO 51 9.383 7.846 8.423 386 HB2 PRO 51 HB2 PRO 51 6.803 7.837 9.335 387 HB3 PRO 51 HB3 PRO 51 7.426 8.998 8.107 388 HG2 PRO 51 HG2 PRO 51 5.853 6.469 7.704 389 HG3 PRO 51 HG3 PRO 51 5.635 8.038 6.868 390 HD2 PRO 51 HD2 PRO 51 6.958 5.878 5.815 391 HD3 PRO 51 HD3 PRO 51 7.412 7.557 5.407 392 H ALA 52 H ALA 52 9.549 7.327 10.543 393 HA ALA 52 HA ALA 52 9.906 4.743 11.439 394 HB1 ALA 52 HB1 ALA 52 9.170 7.194 13.054 395 HB2 ALA 52 HB2 ALA 52 9.874 5.702 13.707 396 HB3 ALA 52 HB3 ALA 52 10.805 6.703 12.572 397 H LYS 53 H LYS 53 6.875 6.637 11.567 398 HA LYS 53 HA LYS 53 5.382 5.032 13.264 399 HB2 LYS 53 HB2 LYS 53 3.444 6.008 12.382 400 HB3 LYS 53 HB3 LYS 53 4.737 7.205 12.418 401 HG2 LYS 53 HG2 LYS 53 5.160 6.415 9.914 402 HG3 LYS 53 HG3 LYS 53 3.514 5.793 10.054 403 HD2 LYS 53 HD2 LYS 53 4.313 8.634 10.607 404 HD3 LYS 53 HD3 LYS 53 3.654 8.029 9.057 405 HE2 LYS 53 HE2 LYS 53 1.738 7.043 10.538 406 HE3 LYS 53 HE3 LYS 53 2.265 8.224 11.757 407 HZ1 LYS 53 HZ1 LYS 53 1.250 8.649 9.042 408 HZ2 LYS 53 HZ2 LYS 53 1.964 9.896 9.952 409 HZ3 LYS 53 HZ3 LYS 53 0.587 9.177 10.431 410 H LEU 54 H LEU 54 6.267 4.216 9.880 411 HA LEU 54 HA LEU 54 4.761 1.645 10.225 412 HB2 LEU 54 HB2 LEU 54 5.219 3.224 7.656 413 HB3 LEU 54 HB3 LEU 54 4.324 1.731 7.791 414 HG LEU 54 HG LEU 54 3.177 3.794 9.534 415 HD11 LEU 54 HD11 LEU 54 4.161 5.196 7.634 416 HD12 LEU 54 HD12 LEU 54 2.449 5.364 7.949 417 HD13 LEU 54 HD13 LEU 54 3.000 4.389 6.566 418 HD21 LEU 54 HD21 LEU 54 1.916 1.913 9.106 419 HD22 LEU 54 HD22 LEU 54 2.005 2.114 7.321 420 HD23 LEU 54 HD23 LEU 54 1.105 3.252 8.350 421 H ARG 55 H ARG 55 7.591 2.457 10.793 422 HA ARG 55 HA ARG 55 9.246 1.376 8.713 423 HB2 ARG 55 HB2 ARG 55 11.079 1.668 10.262 424 HB3 ARG 55 HB3 ARG 55 9.974 3.013 10.376 425 HG2 ARG 55 HG2 ARG 55 10.003 2.664 12.626 426 HG3 ARG 55 HG3 ARG 55 8.963 1.253 12.310 427 HD2 ARG 55 HD2 ARG 55 11.015 -0.163 12.213 428 HD3 ARG 55 HD3 ARG 55 12.000 1.286 12.492 429 HE ARG 55 HE ARG 55 10.089 1.046 14.580 430 HH11 ARG 55 HH11 ARG 55 12.850 -0.887 13.293 431 HH12 ARG 55 HH12 ARG 55 13.260 -1.479 14.841 432 HH21 ARG 55 HH21 ARG 55 10.814 0.249 16.675 433 HH22 ARG 55 HH22 ARG 55 12.233 -0.758 16.731 434 H HIS 56 H HIS 56 7.155 -0.422 10.235 435 HA HIS 56 HA HIS 56 8.135 -2.561 11.573 436 HB2 HIS 56 HB2 HIS 56 5.851 -2.051 9.881 437 HB3 HIS 56 HB3 HIS 56 6.415 -3.670 9.553 438 HD1 HIS 56 HD1 HIS 56 4.855 -1.607 12.344 439 HD2 HIS 56 HD2 HIS 56 6.092 -5.541 11.477 440 HE1 HIS 56 HE1 HIS 56 3.858 -3.102 14.171 441 H GLU 57 H GLU 57 8.838 -4.624 11.136 442 HA GLU 57 HA GLU 57 11.082 -4.951 9.588 443 HB2 GLU 57 HB2 GLU 57 10.274 -6.219 11.584 444 HB3 GLU 57 HB3 GLU 57 9.096 -7.047 10.564 445 HG2 GLU 57 HG2 GLU 57 10.940 -8.084 9.268 446 HG3 GLU 57 HG3 GLU 57 12.125 -7.169 10.232 447 H GLN 58 H GLN 58 7.785 -5.208 8.498 448 HA GLN 58 HA GLN 58 8.591 -5.847 5.771 449 HB2 GLN 58 HB2 GLN 58 6.934 -7.606 7.588 450 HB3 GLN 58 HB3 GLN 58 6.311 -7.349 5.955 451 HG2 GLN 58 HG2 GLN 58 8.328 -8.093 4.928 452 HG3 GLN 58 HG3 GLN 58 9.193 -8.173 6.469 453 HE21 GLN 58 HE21 GLN 58 7.334 -9.657 8.098 454 HE22 GLN 58 HE22 GLN 58 7.421 -11.267 7.401 455 H ILE 59 H ILE 59 7.594 -4.647 4.396 456 HA ILE 59 HA ILE 59 5.119 -3.322 5.073 457 HB ILE 59 HB ILE 59 5.721 -1.247 4.527 458 HG12 ILE 59 HG12 ILE 59 8.558 -1.539 3.732 459 HG13 ILE 59 HG13 ILE 59 7.372 -2.064 2.536 460 HG21 ILE 59 HG21 ILE 59 7.683 -0.439 5.852 461 HG22 ILE 59 HG22 ILE 59 6.628 -1.565 6.748 462 HG23 ILE 59 HG23 ILE 59 8.180 -2.101 6.090 463 HD11 ILE 59 HD11 ILE 59 6.265 0.147 2.715 464 HD12 ILE 59 HD12 ILE 59 7.596 0.634 3.813 465 HD13 ILE 59 HD13 ILE 59 7.937 0.195 2.132 466 H ILE 60 H ILE 60 4.378 -2.271 2.903 467 HA ILE 60 HA ILE 60 5.041 -3.801 0.479 468 HB ILE 60 HB ILE 60 2.231 -3.671 1.683 469 HG12 ILE 60 HG12 ILE 60 4.299 -5.875 1.566 470 HG13 ILE 60 HG13 ILE 60 3.363 -5.311 2.945 471 HG21 ILE 60 HG21 ILE 60 3.120 -5.103 -0.862 472 HG22 ILE 60 HG22 ILE 60 1.494 -5.051 -0.191 473 HG23 ILE 60 HG23 ILE 60 2.163 -3.601 -0.824 474 HD11 ILE 60 HD11 ILE 60 1.356 -6.419 1.996 475 HD12 ILE 60 HD12 ILE 60 2.368 -6.995 0.629 476 HD13 ILE 60 HD13 ILE 60 2.675 -7.547 2.265 477 H PHE 61 H PHE 61 4.051 -2.724 -1.376 478 HA PHE 61 HA PHE 61 3.353 0.140 -1.042 479 HB2 PHE 61 HB2 PHE 61 5.472 -1.300 -2.674 480 HB3 PHE 61 HB3 PHE 61 4.784 0.202 -3.303 481 HD1 PHE 61 HD1 PHE 61 4.479 1.919 -0.869 482 HD2 PHE 61 HD2 PHE 61 7.639 -0.745 -2.051 483 HE1 PHE 61 HE1 PHE 61 6.054 3.175 0.522 484 HE2 PHE 61 HE2 PHE 61 9.209 0.484 -0.618 485 HZ PHE 61 HZ PHE 61 8.453 2.502 0.643 486 H HIS 62 H HIS 62 1.549 0.749 -2.174 487 HA HIS 62 HA HIS 62 0.727 -0.685 -4.572 488 HB2 HIS 62 HB2 HIS 62 -0.353 -1.613 -2.322 489 HB3 HIS 62 HB3 HIS 62 -1.329 -0.145 -2.398 490 HD1 HIS 62 HD1 HIS 62 -0.452 -2.015 -5.578 491 HD2 HIS 62 HD2 HIS 62 -3.424 -1.937 -2.641 492 HE1 HIS 62 HE1 HIS 62 -2.358 -3.591 -6.369 493 H CYS 63 H CYS 63 -0.473 0.749 -5.979 494 HA CYS 63 HA CYS 63 -0.559 3.528 -4.999 495 HB2 CYS 63 HB2 CYS 63 0.156 2.542 -7.787 496 HB3 CYS 63 HB3 CYS 63 -0.049 4.256 -7.334 497 HG CYS 63 HG CYS 63 2.421 4.055 -7.507 498 H GLN 64 H GLN 64 -1.813 3.144 -8.180 499 HA GLN 64 HA GLN 64 -4.625 2.969 -7.220 500 HB2 GLN 64 HB2 GLN 64 -3.474 4.967 -9.221 501 HB3 GLN 64 HB3 GLN 64 -5.199 4.660 -8.966 502 HG2 GLN 64 HG2 GLN 64 -4.931 5.287 -6.552 503 HG3 GLN 64 HG3 GLN 64 -3.253 5.735 -6.904 504 HE21 GLN 64 HE21 GLN 64 -3.358 8.021 -6.606 505 HE22 GLN 64 HE22 GLN 64 -4.478 9.021 -7.482 506 H ALA 65 H ALA 65 -5.973 2.782 -9.511 507 HA ALA 65 HA ALA 65 -5.242 0.196 -10.621 508 HB1 ALA 65 HB1 ALA 65 -7.497 2.171 -11.264 509 HB2 ALA 65 HB2 ALA 65 -7.377 0.498 -11.838 510 HB3 ALA 65 HB3 ALA 65 -7.578 0.820 -10.112 511 H GLY 66 H GLY 66 -3.192 1.323 -11.307 512 HA2 GLY 66 HA2 GLY 66 -3.003 1.581 -14.171 513 HA3 GLY 66 HA3 GLY 66 -2.860 3.175 -13.430 514 H LYS 67 H LYS 67 -1.636 -0.103 -12.574 515 HA LYS 67 HA LYS 67 0.317 -0.709 -11.537 516 HB2 LYS 67 HB2 LYS 67 1.134 0.348 -14.262 517 HB3 LYS 67 HB3 LYS 67 2.264 -0.521 -13.230 518 HG2 LYS 67 HG2 LYS 67 -0.401 -1.662 -14.085 519 HG3 LYS 67 HG3 LYS 67 1.085 -1.888 -14.993 520 HD2 LYS 67 HD2 LYS 67 0.836 -2.706 -12.065 521 HD3 LYS 67 HD3 LYS 67 0.423 -3.772 -13.398 522 HE2 LYS 67 HE2 LYS 67 3.151 -2.460 -13.275 523 HE3 LYS 67 HE3 LYS 67 2.788 -3.914 -12.326 524 HZ1 LYS 67 HZ1 LYS 67 2.242 -5.077 -14.293 525 HZ2 LYS 67 HZ2 LYS 67 3.737 -4.431 -14.480 526 HZ3 LYS 67 HZ3 LYS 67 2.488 -3.749 -15.261 527 H ARG 68 H ARG 68 2.367 1.670 -13.045 528 HA ARG 68 HA ARG 68 3.770 3.215 -12.268 529 HB2 ARG 68 HB2 ARG 68 1.572 3.762 -10.245 530 HB3 ARG 68 HB3 ARG 68 3.056 4.686 -10.330 531 HG2 ARG 68 HG2 ARG 68 2.491 5.767 -12.278 532 HG3 ARG 68 HG3 ARG 68 1.635 4.376 -12.927 533 HD2 ARG 68 HD2 ARG 68 0.063 6.121 -12.574 534 HD3 ARG 68 HD3 ARG 68 -0.275 4.798 -11.457 535 HE ARG 68 HE ARG 68 1.401 6.728 -10.161 536 HH11 ARG 68 HH11 ARG 68 -1.871 6.329 -11.403 537 HH12 ARG 68 HH12 ARG 68 -2.632 7.461 -10.356 538 HH21 ARG 68 HH21 ARG 68 0.412 8.349 -8.701 539 HH22 ARG 68 HH22 ARG 68 -1.246 8.751 -8.941 540 H THR 69 H THR 69 2.900 0.681 -9.950 541 HA THR 69 HA THR 69 4.821 1.152 -7.981 542 HB THR 69 HB THR 69 4.202 -1.408 -7.737 543 HG1 THR 69 HG1 THR 69 2.120 -1.796 -8.784 544 HG21 THR 69 HG21 THR 69 2.073 -0.841 -6.660 545 HG22 THR 69 HG22 THR 69 2.000 0.684 -7.549 546 HG23 THR 69 HG23 THR 69 3.265 0.425 -6.318 547 H SER 70 H SER 70 4.719 -1.612 -10.281 548 HA SER 70 HA SER 70 7.355 -2.290 -10.038 549 HB2 SER 70 HB2 SER 70 5.858 -2.806 -12.603 550 HB3 SER 70 HB3 SER 70 6.898 -3.895 -11.675 551 HG SER 70 HG SER 70 5.115 -4.605 -10.826 552 H ASN 71 H ASN 71 6.286 0.462 -11.582 553 HA ASN 71 HA ASN 71 8.130 0.552 -13.853 554 HB2 ASN 71 HB2 ASN 71 5.792 1.755 -13.351 555 HB3 ASN 71 HB3 ASN 71 6.836 3.021 -12.748 556 HD21 ASN 71 HD21 ASN 71 5.355 1.787 -15.472 557 HD22 ASN 71 HD22 ASN 71 6.280 2.615 -16.709 558 H ASN 72 H ASN 72 8.342 1.356 -10.484 559 HA ASN 72 HA ASN 72 11.103 2.315 -10.777 560 HB2 ASN 72 HB2 ASN 72 10.546 4.376 -9.395 561 HB3 ASN 72 HB3 ASN 72 10.100 4.425 -11.081 562 HD21 ASN 72 HD21 ASN 72 7.889 4.494 -11.707 563 HD22 ASN 72 HD22 ASN 72 6.574 4.360 -10.560 564 H ALA 73 H ALA 73 9.587 0.079 -9.650 565 HA ALA 73 HA ALA 73 9.327 0.177 -6.857 566 HB1 ALA 73 HB1 ALA 73 10.020 -2.174 -8.666 567 HB2 ALA 73 HB2 ALA 73 9.459 -2.284 -6.985 568 HB3 ALA 73 HB3 ALA 73 8.384 -1.614 -8.209 569 H ASP 74 H ASP 74 12.285 -0.155 -8.774 570 HA ASP 74 HA ASP 74 13.853 -1.287 -6.637 571 HB2 ASP 74 HB2 ASP 74 14.861 0.374 -8.958 572 HB3 ASP 74 HB3 ASP 74 15.848 -0.593 -7.863 573 H LYS 75 H LYS 75 13.059 2.156 -7.456 574 HA LYS 75 HA LYS 75 14.817 3.253 -5.515 575 HB2 LYS 75 HB2 LYS 75 13.332 4.179 -7.673 576 HB3 LYS 75 HB3 LYS 75 12.348 4.737 -6.327 577 HG2 LYS 75 HG2 LYS 75 15.334 5.265 -6.645 578 HG3 LYS 75 HG3 LYS 75 14.052 6.370 -7.159 579 HD2 LYS 75 HD2 LYS 75 13.210 6.435 -4.825 580 HD3 LYS 75 HD3 LYS 75 14.584 5.420 -4.326 581 HE2 LYS 75 HE2 LYS 75 16.183 7.097 -5.066 582 HE3 LYS 75 HE3 LYS 75 14.914 8.067 -5.815 583 HZ1 LYS 75 HZ1 LYS 75 15.000 7.672 -2.884 584 HZ2 LYS 75 HZ2 LYS 75 14.130 8.758 -3.796 585 HZ3 LYS 75 HZ3 LYS 75 15.734 8.908 -3.663 586 H LEU 76 H LEU 76 11.389 2.249 -5.598 587 HA LEU 76 HA LEU 76 10.654 3.161 -3.007 588 HB2 LEU 76 HB2 LEU 76 9.597 0.807 -4.628 589 HB3 LEU 76 HB3 LEU 76 8.880 1.374 -3.136 590 HG LEU 76 HG LEU 76 9.153 3.116 -5.592 591 HD11 LEU 76 HD11 LEU 76 7.651 1.250 -6.095 592 HD12 LEU 76 HD12 LEU 76 6.727 2.735 -5.906 593 HD13 LEU 76 HD13 LEU 76 6.754 1.530 -4.591 594 HD21 LEU 76 HD21 LEU 76 8.938 4.432 -3.524 595 HD22 LEU 76 HD22 LEU 76 7.557 3.441 -3.002 596 HD23 LEU 76 HD23 LEU 76 7.429 4.505 -4.425 597 H ALA 77 H ALA 77 12.087 0.052 -4.050 598 HA ALA 77 HA ALA 77 12.027 -1.273 -1.532 599 HB1 ALA 77 HB1 ALA 77 14.065 -1.522 -3.796 600 HB2 ALA 77 HB2 ALA 77 13.952 -2.606 -2.395 601 HB3 ALA 77 HB3 ALA 77 12.615 -2.512 -3.544 602 H ALA 78 H ALA 78 14.649 0.601 -3.080 603 HA ALA 78 HA ALA 78 16.450 0.658 -0.915 604 HB1 ALA 78 HB1 ALA 78 17.482 2.526 -2.165 605 HB2 ALA 78 HB2 ALA 78 16.992 1.225 -3.279 606 HB3 ALA 78 HB3 ALA 78 16.020 2.707 -3.141 607 H ILE 79 H ILE 79 13.443 2.333 -1.182 608 HA ILE 79 HA ILE 79 14.223 4.498 0.617 609 HB ILE 79 HB ILE 79 12.066 3.906 -1.333 610 HG12 ILE 79 HG12 ILE 79 13.367 6.452 -0.329 611 HG13 ILE 79 HG13 ILE 79 13.924 5.444 -1.674 612 HG21 ILE 79 HG21 ILE 79 10.602 4.008 0.610 613 HG22 ILE 79 HG22 ILE 79 11.267 5.621 1.023 614 HG23 ILE 79 HG23 ILE 79 10.376 5.339 -0.493 615 HD11 ILE 79 HD11 ILE 79 11.719 5.873 -2.832 616 HD12 ILE 79 HD12 ILE 79 11.333 7.047 -1.544 617 HD13 ILE 79 HD13 ILE 79 12.715 7.330 -2.591 618 H ALA 80 H ALA 80 12.634 1.355 0.844 619 HA ALA 80 HA ALA 80 11.827 1.985 3.695 620 HB1 ALA 80 HB1 ALA 80 10.512 0.354 1.578 621 HB2 ALA 80 HB2 ALA 80 10.075 0.367 3.326 622 HB3 ALA 80 HB3 ALA 80 9.955 1.839 2.341 623 H ALA 81 H ALA 81 14.240 0.460 2.050 624 HA ALA 81 HA ALA 81 14.466 -2.088 3.243 625 HB1 ALA 81 HB1 ALA 81 15.728 -1.354 1.264 626 HB2 ALA 81 HB2 ALA 81 16.525 -0.077 2.211 627 HB3 ALA 81 HB3 ALA 81 16.892 -1.777 2.523 628 HA PRO 82 HA PRO 82 16.855 -3.209 4.031 629 HB2 PRO 82 HB2 PRO 82 17.418 -4.729 6.180 630 HB3 PRO 82 HB3 PRO 82 18.415 -3.298 5.753 631 HG2 PRO 82 HG2 PRO 82 16.167 -3.407 7.786 632 HG3 PRO 82 HG3 PRO 82 17.854 -2.848 8.022 633 HD2 PRO 82 HD2 PRO 82 15.847 -1.114 7.411 634 HD3 PRO 82 HD3 PRO 82 17.478 -0.902 6.719 635 H ALA 83 H ALA 83 14.107 -2.700 6.030 636 HA ALA 83 HA ALA 83 12.984 -5.233 6.314 637 HB1 ALA 83 HB1 ALA 83 12.295 -3.065 7.387 638 HB2 ALA 83 HB2 ALA 83 11.627 -2.554 5.815 639 HB3 ALA 83 HB3 ALA 83 10.938 -3.933 6.684 640 H GLU 84 H GLU 84 11.513 -6.411 5.060 641 HA GLU 84 HA GLU 84 12.000 -6.519 2.243 642 HB2 GLU 84 HB2 GLU 84 10.462 -8.014 4.339 643 HB3 GLU 84 HB3 GLU 84 9.976 -8.272 2.662 644 HG2 GLU 84 HG2 GLU 84 12.824 -8.551 3.691 645 HG3 GLU 84 HG3 GLU 84 11.661 -9.869 3.499 646 H ILE 85 H ILE 85 10.911 -5.690 0.549 647 HA ILE 85 HA ILE 85 8.256 -4.427 1.023 648 HB ILE 85 HB ILE 85 10.626 -3.702 -0.752 649 HG12 ILE 85 HG12 ILE 85 10.273 -1.495 -0.074 650 HG13 ILE 85 HG13 ILE 85 8.626 -1.815 0.508 651 HG21 ILE 85 HG21 ILE 85 9.299 -2.269 -2.197 652 HG22 ILE 85 HG22 ILE 85 8.780 -3.936 -2.421 653 HG23 ILE 85 HG23 ILE 85 7.784 -2.863 -1.447 654 HD11 ILE 85 HD11 ILE 85 9.402 -3.089 2.305 655 HD12 ILE 85 HD12 ILE 85 11.106 -3.059 1.710 656 HD13 ILE 85 HD13 ILE 85 10.328 -1.620 2.359 657 H PHE 86 H PHE 86 6.539 -4.844 -0.257 658 HA PHE 86 HA PHE 86 6.803 -6.735 -2.481 659 HB2 PHE 86 HB2 PHE 86 4.667 -6.918 -0.300 660 HB3 PHE 86 HB3 PHE 86 4.737 -7.924 -1.711 661 HD1 PHE 86 HD1 PHE 86 6.548 -7.162 1.495 662 HD2 PHE 86 HD2 PHE 86 5.928 -9.939 -1.749 663 HE1 PHE 86 HE1 PHE 86 7.843 -8.874 2.713 664 HE2 PHE 86 HE2 PHE 86 7.271 -11.639 -0.546 665 HZ PHE 86 HZ PHE 86 8.248 -11.116 1.683 666 H LEU 87 H LEU 87 4.668 -6.915 -3.634 667 HA LEU 87 HA LEU 87 3.446 -4.212 -3.954 668 HB2 LEU 87 HB2 LEU 87 4.419 -6.154 -6.082 669 HB3 LEU 87 HB3 LEU 87 3.378 -4.779 -6.423 670 HG LEU 87 HG LEU 87 6.249 -4.655 -5.378 671 HD11 LEU 87 HD11 LEU 87 5.041 -3.911 -8.086 672 HD12 LEU 87 HD12 LEU 87 6.031 -5.346 -7.741 673 HD13 LEU 87 HD13 LEU 87 6.749 -3.742 -7.608 674 HD21 LEU 87 HD21 LEU 87 5.195 -2.721 -4.489 675 HD22 LEU 87 HD22 LEU 87 4.210 -2.471 -5.932 676 HD23 LEU 87 HD23 LEU 87 5.961 -2.158 -5.986 677 H LEU 88 H LEU 88 1.372 -4.447 -3.327 678 HA LEU 88 HA LEU 88 -0.058 -6.849 -3.072 679 HB2 LEU 88 HB2 LEU 88 -0.659 -3.969 -2.998 680 HB3 LEU 88 HB3 LEU 88 -1.967 -4.879 -3.748 681 HG LEU 88 HG LEU 88 -0.907 -5.393 -1.022 682 HD11 LEU 88 HD11 LEU 88 -2.111 -3.265 -1.165 683 HD12 LEU 88 HD12 LEU 88 -2.961 -4.453 -0.177 684 HD13 LEU 88 HD13 LEU 88 -3.536 -4.126 -1.823 685 HD21 LEU 88 HD21 LEU 88 -2.995 -6.770 -0.772 686 HD22 LEU 88 HD22 LEU 88 -1.909 -7.452 -1.987 687 HD23 LEU 88 HD23 LEU 88 -3.339 -6.531 -2.497 688 H GLU 89 H GLU 89 0.268 -4.755 -5.914 689 HA GLU 89 HA GLU 89 -0.044 -6.355 -8.025 690 HB2 GLU 89 HB2 GLU 89 -2.759 -6.034 -6.794 691 HB3 GLU 89 HB3 GLU 89 -2.754 -5.761 -8.484 692 HG2 GLU 89 HG2 GLU 89 -1.512 -8.301 -7.400 693 HG3 GLU 89 HG3 GLU 89 -3.240 -8.127 -7.713 694 H ASP 90 H ASP 90 -2.411 -4.202 -8.858 695 HA ASP 90 HA ASP 90 -0.610 -2.217 -9.892 696 HB2 ASP 90 HB2 ASP 90 -3.570 -2.689 -10.111 697 HB3 ASP 90 HB3 ASP 90 -2.846 -1.160 -10.635 698 H GLY 91 H GLY 91 -3.579 -1.704 -8.024 699 HA2 GLY 91 HA2 GLY 91 -2.258 -0.036 -6.015 700 HA3 GLY 91 HA3 GLY 91 -3.189 0.854 -7.180 701 H ILE 92 H ILE 92 -5.212 -1.244 -7.517 702 HA ILE 92 HA ILE 92 -6.362 -1.478 -4.882 703 HB ILE 92 HB ILE 92 -6.908 0.878 -6.021 704 HG12 ILE 92 HG12 ILE 92 -9.254 0.693 -4.898 705 HG13 ILE 92 HG13 ILE 92 -8.719 -0.919 -4.400 706 HG21 ILE 92 HG21 ILE 92 -9.176 -0.788 -7.111 707 HG22 ILE 92 HG22 ILE 92 -8.887 0.963 -7.275 708 HG23 ILE 92 HG23 ILE 92 -7.813 -0.192 -8.098 709 HD11 ILE 92 HD11 ILE 92 -7.493 1.783 -3.759 710 HD12 ILE 92 HD12 ILE 92 -8.129 0.546 -2.627 711 HD13 ILE 92 HD13 ILE 92 -6.607 0.299 -3.471 712 H ASP 93 H ASP 93 -5.872 -2.649 -8.099 713 HA ASP 93 HA ASP 93 -8.291 -4.128 -8.314 714 HB2 ASP 93 HB2 ASP 93 -7.049 -3.673 -10.256 715 HB3 ASP 93 HB3 ASP 93 -5.561 -4.325 -9.599 716 H GLY 94 H GLY 94 -5.054 -5.106 -7.066 717 HA2 GLY 94 HA2 GLY 94 -5.460 -7.760 -6.526 718 HA3 GLY 94 HA3 GLY 94 -4.482 -6.703 -5.494 719 H TRP 95 H TRP 95 -5.966 -5.214 -4.027 720 HA TRP 95 HA TRP 95 -7.047 -6.553 -1.931 721 HB2 TRP 95 HB2 TRP 95 -6.597 -4.324 -1.823 722 HB3 TRP 95 HB3 TRP 95 -7.856 -3.895 -3.007 723 HD1 TRP 95 HD1 TRP 95 -9.824 -2.870 -1.831 724 HE1 TRP 95 HE1 TRP 95 -11.122 -3.262 0.392 725 HE3 TRP 95 HE3 TRP 95 -6.955 -6.514 0.229 726 HZ2 TRP 95 HZ2 TRP 95 -10.694 -4.620 2.880 727 HZ3 TRP 95 HZ3 TRP 95 -7.369 -7.343 2.530 728 HH2 TRP 95 HH2 TRP 95 -9.218 -6.391 3.884 729 H LYS 96 H LYS 96 -8.910 -4.915 -4.499 730 HA LYS 96 HA LYS 96 -11.494 -5.722 -3.888 731 HB2 LYS 96 HB2 LYS 96 -10.631 -3.805 -5.311 732 HB3 LYS 96 HB3 LYS 96 -10.415 -4.946 -6.642 733 HG2 LYS 96 HG2 LYS 96 -12.821 -5.405 -6.690 734 HG3 LYS 96 HG3 LYS 96 -13.058 -4.471 -5.195 735 HD2 LYS 96 HD2 LYS 96 -12.220 -2.436 -6.356 736 HD3 LYS 96 HD3 LYS 96 -12.090 -3.340 -7.867 737 HE2 LYS 96 HE2 LYS 96 -14.471 -3.715 -7.941 738 HE3 LYS 96 HE3 LYS 96 -14.660 -3.234 -6.250 739 HZ1 LYS 96 HZ1 LYS 96 -13.974 -1.367 -8.446 740 HZ2 LYS 96 HZ2 LYS 96 -14.059 -1.007 -6.841 741 HZ3 LYS 96 HZ3 LYS 96 -15.403 -1.479 -7.627 742 H LYS 97 H LYS 97 -9.093 -7.357 -5.938 743 HA LYS 97 HA LYS 97 -10.834 -9.059 -7.324 744 HB2 LYS 97 HB2 LYS 97 -8.389 -8.597 -7.735 745 HB3 LYS 97 HB3 LYS 97 -8.023 -9.700 -6.406 746 HG2 LYS 97 HG2 LYS 97 -9.903 -10.975 -8.235 747 HG3 LYS 97 HG3 LYS 97 -8.592 -10.247 -9.158 748 HD2 LYS 97 HD2 LYS 97 -8.162 -12.078 -6.764 749 HD3 LYS 97 HD3 LYS 97 -8.232 -12.621 -8.441 750 HE2 LYS 97 HE2 LYS 97 -6.363 -11.000 -8.996 751 HE3 LYS 97 HE3 LYS 97 -6.192 -10.688 -7.263 752 HZ1 LYS 97 HZ1 LYS 97 -4.669 -12.337 -8.039 753 HZ2 LYS 97 HZ2 LYS 97 -5.876 -13.285 -8.612 754 HZ3 LYS 97 HZ3 LYS 97 -5.746 -13.057 -6.970 755 H ALA 98 H ALA 98 -9.605 -9.319 -3.974 756 HA ALA 98 HA ALA 98 -10.592 -12.041 -3.614 757 HB1 ALA 98 HB1 ALA 98 -8.712 -11.297 -2.302 758 HB2 ALA 98 HB2 ALA 98 -9.622 -9.912 -1.659 759 HB3 ALA 98 HB3 ALA 98 -10.060 -11.574 -1.205 760 H GLY 99 H GLY 99 -12.343 -9.287 -4.160 761 HA2 GLY 99 HA2 GLY 99 -14.557 -8.842 -3.942 762 HA3 GLY 99 HA3 GLY 99 -14.770 -10.313 -2.976 763 H LEU 100 H LEU 100 -12.210 -8.223 -1.871 764 HA LEU 100 HA LEU 100 -13.696 -7.574 0.533 765 HB2 LEU 100 HB2 LEU 100 -10.802 -7.152 -0.271 766 HB3 LEU 100 HB3 LEU 100 -11.492 -6.882 1.329 767 HG LEU 100 HG LEU 100 -11.427 -9.606 -0.027 768 HD11 LEU 100 HD11 LEU 100 -9.503 -10.141 1.329 769 HD12 LEU 100 HD12 LEU 100 -9.614 -8.566 2.159 770 HD13 LEU 100 HD13 LEU 100 -9.135 -8.630 0.466 771 HD21 LEU 100 HD21 LEU 100 -13.162 -9.398 1.720 772 HD22 LEU 100 HD22 LEU 100 -11.949 -8.783 2.866 773 HD23 LEU 100 HD23 LEU 100 -11.843 -10.451 2.259 774 HA PRO 101 HA PRO 101 -14.076 -3.396 -1.279 775 HB2 PRO 101 HB2 PRO 101 -15.816 -2.324 0.514 776 HB3 PRO 101 HB3 PRO 101 -16.337 -3.582 -0.650 777 HG2 PRO 101 HG2 PRO 101 -15.721 -3.887 2.269 778 HG3 PRO 101 HG3 PRO 101 -16.975 -4.698 1.295 779 HD2 PRO 101 HD2 PRO 101 -14.404 -5.713 2.001 780 HD3 PRO 101 HD3 PRO 101 -15.476 -6.400 0.758 781 H VAL 102 H VAL 102 -13.145 -1.167 -0.543 782 HA VAL 102 HA VAL 102 -11.108 -1.511 1.534 783 HB VAL 102 HB VAL 102 -10.560 0.820 0.921 784 HG11 VAL 102 HG11 VAL 102 -10.932 -0.911 -1.531 785 HG12 VAL 102 HG12 VAL 102 -9.844 0.470 -1.359 786 HG13 VAL 102 HG13 VAL 102 -9.564 -0.981 -0.385 787 HG21 VAL 102 HG21 VAL 102 -13.034 0.704 -0.836 788 HG22 VAL 102 HG22 VAL 102 -12.579 1.895 0.408 789 HG23 VAL 102 HG23 VAL 102 -11.699 1.794 -1.133 790 H ALA 103 H ALA 103 -10.997 0.695 2.998 791 HA ALA 103 HA ALA 103 -13.369 0.532 4.663 792 HB1 ALA 103 HB1 ALA 103 -10.948 2.345 4.931 793 HB2 ALA 103 HB2 ALA 103 -12.211 2.079 6.129 794 HB3 ALA 103 HB3 ALA 103 -11.141 0.733 5.669 795 H VAL 104 H VAL 104 -14.770 1.241 2.781 796 HA VAL 104 HA VAL 104 -14.742 4.116 2.143 797 HB VAL 104 HB VAL 104 -17.108 3.327 1.133 798 HG11 VAL 104 HG11 VAL 104 -14.572 2.502 -0.296 799 HG12 VAL 104 HG12 VAL 104 -16.103 3.035 -0.993 800 HG13 VAL 104 HG13 VAL 104 -15.092 4.185 -0.120 801 HG21 VAL 104 HG21 VAL 104 -17.160 1.070 0.335 802 HG22 VAL 104 HG22 VAL 104 -15.561 0.716 0.972 803 HG23 VAL 104 HG23 VAL 104 -16.921 1.005 2.093 804 H ASN 105 H ASN 105 -16.660 5.447 2.551 805 HA ASN 105 HA ASN 105 -17.372 5.306 5.359 806 HB2 ASN 105 HB2 ASN 105 -16.850 7.390 4.085 807 HB3 ASN 105 HB3 ASN 105 -18.375 7.192 3.188 808 HD21 ASN 105 HD21 ASN 105 -17.837 9.510 4.661 809 HD22 ASN 105 HD22 ASN 105 -18.949 9.558 6.008 810 H LYS 106 H LYS 106 -19.296 4.601 6.221 811 HA LYS 106 HA LYS 106 -21.043 3.005 4.532 812 HB2 LYS 106 HB2 LYS 106 -20.546 2.392 6.893 813 HB3 LYS 106 HB3 LYS 106 -21.388 3.863 7.435 814 HG2 LYS 106 HG2 LYS 106 -23.450 3.033 6.256 815 HG3 LYS 106 HG3 LYS 106 -22.589 1.530 5.855 816 HD2 LYS 106 HD2 LYS 106 -22.344 1.034 8.267 817 HD3 LYS 106 HD3 LYS 106 -23.082 2.607 8.661 818 HE2 LYS 106 HE2 LYS 106 -25.093 1.821 7.226 819 HE3 LYS 106 HE3 LYS 106 -24.384 0.196 7.340 820 HZ1 LYS 106 HZ1 LYS 106 -25.143 1.923 9.613 821 HZ2 LYS 106 HZ2 LYS 106 -24.466 0.438 9.751 822 HZ3 LYS 106 HZ3 LYS 106 -25.975 0.594 9.108 823 H SER 107 H SER 107 -22.695 3.819 3.379 824 HA SER 107 HA SER 107 -24.389 5.943 4.237 825 HB2 SER 107 HB2 SER 107 -22.234 7.114 3.298 826 HB3 SER 107 HB3 SER 107 -22.741 6.474 1.728 827 HG SER 107 HG SER 107 -23.598 8.509 1.984 828 H GLN 108 H GLN 108 -25.371 6.456 1.552 829 HA GLN 108 HA GLN 108 -25.815 3.951 0.187 830 HB2 GLN 108 HB2 GLN 108 -28.347 4.406 0.257 831 HB3 GLN 108 HB3 GLN 108 -27.627 3.545 1.606 832 HG2 GLN 108 HG2 GLN 108 -27.856 5.355 3.093 833 HG3 GLN 108 HG3 GLN 108 -28.069 6.536 1.803 834 HE21 GLN 108 HE21 GLN 108 -30.123 6.888 0.940 835 HE22 GLN 108 HE22 GLN 108 -31.571 6.085 1.541 Start of MODEL 14 1 H ALA 1 H ALA 1 15.613 -8.338 -3.926 2 HA ALA 1 HA ALA 1 14.021 -7.255 -6.156 3 HB1 ALA 1 HB1 ALA 1 14.768 -9.626 -6.412 4 HB2 ALA 1 HB2 ALA 1 13.849 -10.024 -4.942 5 HB3 ALA 1 HB3 ALA 1 13.003 -9.442 -6.382 6 H LEU 2 H LEU 2 11.556 -7.594 -5.801 7 HA LEU 2 HA LEU 2 10.930 -6.873 -2.964 8 HB2 LEU 2 HB2 LEU 2 9.253 -5.837 -5.242 9 HB3 LEU 2 HB3 LEU 2 9.447 -5.259 -3.610 10 HG LEU 2 HG LEU 2 11.946 -4.684 -4.456 11 HD11 LEU 2 HD11 LEU 2 11.940 -3.956 -6.813 12 HD12 LEU 2 HD12 LEU 2 10.278 -4.538 -7.030 13 HD13 LEU 2 HD13 LEU 2 11.605 -5.680 -6.749 14 HD21 LEU 2 HD21 LEU 2 9.386 -3.163 -4.987 15 HD22 LEU 2 HD22 LEU 2 10.999 -2.459 -5.295 16 HD23 LEU 2 HD23 LEU 2 10.551 -2.939 -3.669 17 H THR 3 H THR 3 9.622 -8.143 -5.959 18 HA THR 3 HA THR 3 8.256 -9.842 -6.497 19 HB THR 3 HB THR 3 8.319 -10.577 -3.532 20 HG1 THR 3 HG1 THR 3 9.613 -11.535 -5.863 21 HG21 THR 3 HG21 THR 3 7.559 -12.755 -4.110 22 HG22 THR 3 HG22 THR 3 7.380 -12.314 -5.818 23 HG23 THR 3 HG23 THR 3 6.332 -11.575 -4.578 24 H THR 4 H THR 4 6.046 -10.177 -6.774 25 HA THR 4 HA THR 4 4.333 -8.088 -5.554 26 HB THR 4 HB THR 4 4.835 -7.561 -7.828 27 HG1 THR 4 HG1 THR 4 2.239 -8.522 -8.057 28 HG21 THR 4 HG21 THR 4 5.353 -9.633 -8.898 29 HG22 THR 4 HG22 THR 4 3.962 -8.914 -9.716 30 HG23 THR 4 HG23 THR 4 3.708 -10.256 -8.588 31 H ILE 5 H ILE 5 3.005 -8.907 -4.228 32 HA ILE 5 HA ILE 5 2.515 -11.842 -4.046 33 HB ILE 5 HB ILE 5 3.122 -11.319 -1.934 34 HG12 ILE 5 HG12 ILE 5 0.230 -10.452 -1.745 35 HG13 ILE 5 HG13 ILE 5 0.798 -12.128 -1.859 36 HG21 ILE 5 HG21 ILE 5 2.825 -9.172 -0.750 37 HG22 ILE 5 HG22 ILE 5 3.689 -8.984 -2.256 38 HG23 ILE 5 HG23 ILE 5 1.975 -8.530 -2.193 39 HD11 ILE 5 HD11 ILE 5 2.159 -11.696 0.241 40 HD12 ILE 5 HD12 ILE 5 1.290 -10.149 0.379 41 HD13 ILE 5 HD13 ILE 5 0.388 -11.674 0.446 42 H SER 6 H SER 6 0.504 -12.627 -4.434 43 HA SER 6 HA SER 6 -1.202 -10.935 -6.002 44 HB2 SER 6 HB2 SER 6 -2.155 -13.623 -5.141 45 HB3 SER 6 HB3 SER 6 -2.069 -12.912 -6.747 46 HG SER 6 HG SER 6 0.003 -14.151 -5.249 47 HA PRO 7 HA PRO 7 -3.899 -9.757 -2.754 48 HB2 PRO 7 HB2 PRO 7 -6.443 -9.980 -3.792 49 HB3 PRO 7 HB3 PRO 7 -5.234 -8.736 -4.248 50 HG2 PRO 7 HG2 PRO 7 -5.923 -11.289 -5.708 51 HG3 PRO 7 HG3 PRO 7 -5.704 -9.649 -6.389 52 HD2 PRO 7 HD2 PRO 7 -3.737 -11.554 -6.396 53 HD3 PRO 7 HD3 PRO 7 -3.371 -9.810 -6.256 54 H HIS 8 H HIS 8 -5.958 -10.529 -1.540 55 HA HIS 8 HA HIS 8 -7.036 -11.948 -0.219 56 HB2 HIS 8 HB2 HIS 8 -7.521 -13.204 -2.304 57 HB3 HIS 8 HB3 HIS 8 -6.121 -14.222 -2.010 58 HD1 HIS 8 HD1 HIS 8 -9.759 -14.028 -1.143 59 HD2 HIS 8 HD2 HIS 8 -6.189 -15.829 0.208 60 HE1 HIS 8 HE1 HIS 8 -10.445 -16.038 0.191 61 H ASP 9 H ASP 9 -3.663 -13.142 -0.995 62 HA ASP 9 HA ASP 9 -3.373 -14.358 1.620 63 HB2 ASP 9 HB2 ASP 9 -1.504 -13.630 -0.629 64 HB3 ASP 9 HB3 ASP 9 -0.772 -13.755 0.947 65 H ALA 10 H ALA 10 -2.563 -11.245 0.255 66 HA ALA 10 HA ALA 10 -1.182 -10.171 2.463 67 HB1 ALA 10 HB1 ALA 10 -2.968 -8.726 0.438 68 HB2 ALA 10 HB2 ALA 10 -1.580 -8.032 1.313 69 HB3 ALA 10 HB3 ALA 10 -1.343 -9.313 0.081 70 H GLN 11 H GLN 11 -4.577 -10.772 2.236 71 HA GLN 11 HA GLN 11 -5.446 -8.650 3.959 72 HB2 GLN 11 HB2 GLN 11 -6.874 -10.092 2.486 73 HB3 GLN 11 HB3 GLN 11 -6.538 -11.486 3.512 74 HG2 GLN 11 HG2 GLN 11 -7.566 -9.040 4.860 75 HG3 GLN 11 HG3 GLN 11 -8.688 -9.866 3.774 76 HE21 GLN 11 HE21 GLN 11 -7.926 -9.664 6.971 77 HE22 GLN 11 HE22 GLN 11 -8.240 -11.332 7.441 78 H GLU 12 H GLU 12 -3.786 -11.679 4.535 79 HA GLU 12 HA GLU 12 -4.471 -11.971 7.316 80 HB2 GLU 12 HB2 GLU 12 -4.082 -13.825 5.704 81 HB3 GLU 12 HB3 GLU 12 -2.421 -13.265 5.463 82 HG2 GLU 12 HG2 GLU 12 -1.987 -13.614 7.871 83 HG3 GLU 12 HG3 GLU 12 -3.628 -14.267 8.035 84 H LEU 13 H LEU 13 -1.296 -11.626 5.711 85 HA LEU 13 HA LEU 13 0.175 -10.968 7.879 86 HB2 LEU 13 HB2 LEU 13 1.821 -9.954 6.255 87 HB3 LEU 13 HB3 LEU 13 1.272 -11.598 6.001 88 HG LEU 13 HG LEU 13 -0.376 -10.666 4.283 89 HD11 LEU 13 HD11 LEU 13 -0.169 -8.220 4.630 90 HD12 LEU 13 HD12 LEU 13 0.435 -8.664 3.061 91 HD13 LEU 13 HD13 LEU 13 1.586 -8.342 4.376 92 HD21 LEU 13 HD21 LEU 13 1.400 -10.675 2.558 93 HD22 LEU 13 HD22 LEU 13 1.503 -12.038 3.681 94 HD23 LEU 13 HD23 LEU 13 2.618 -10.664 3.838 95 H ILE 14 H ILE 14 -1.612 -8.546 5.979 96 HA ILE 14 HA ILE 14 -0.596 -6.249 7.247 97 HB ILE 14 HB ILE 14 -2.647 -7.050 5.417 98 HG12 ILE 14 HG12 ILE 14 -1.878 -4.180 5.640 99 HG13 ILE 14 HG13 ILE 14 -0.595 -5.357 5.304 100 HG21 ILE 14 HG21 ILE 14 -3.758 -5.012 7.302 101 HG22 ILE 14 HG22 ILE 14 -4.416 -5.413 5.700 102 HG23 ILE 14 HG23 ILE 14 -4.351 -6.661 6.970 103 HD11 ILE 14 HD11 ILE 14 -1.609 -4.422 3.262 104 HD12 ILE 14 HD12 ILE 14 -1.651 -6.205 3.370 105 HD13 ILE 14 HD13 ILE 14 -3.129 -5.255 3.658 106 H ALA 15 H ALA 15 -3.153 -8.479 8.305 107 HA ALA 15 HA ALA 15 -4.050 -6.825 10.518 108 HB1 ALA 15 HB1 ALA 15 -5.352 -8.685 9.279 109 HB2 ALA 15 HB2 ALA 15 -4.333 -9.846 10.141 110 HB3 ALA 15 HB3 ALA 15 -5.383 -8.761 11.064 111 H ARG 16 H ARG 16 -1.279 -8.767 9.959 112 HA ARG 16 HA ARG 16 -0.939 -9.380 12.839 113 HB2 ARG 16 HB2 ARG 16 0.520 -10.510 10.426 114 HB3 ARG 16 HB3 ARG 16 0.684 -11.021 12.105 115 HG2 ARG 16 HG2 ARG 16 -1.842 -11.530 12.078 116 HG3 ARG 16 HG3 ARG 16 -1.788 -11.276 10.324 117 HD2 ARG 16 HD2 ARG 16 -0.030 -12.995 10.116 118 HD3 ARG 16 HD3 ARG 16 0.001 -13.199 11.879 119 HE ARG 16 HE ARG 16 -2.548 -13.792 11.397 120 HH11 ARG 16 HH11 ARG 16 0.545 -15.030 10.136 121 HH12 ARG 16 HH12 ARG 16 -0.139 -16.445 9.382 122 HH21 ARG 16 HH21 ARG 16 -3.433 -15.758 10.583 123 HH22 ARG 16 HH22 ARG 16 -2.510 -16.662 9.430 124 H GLY 17 H GLY 17 0.368 -7.268 10.398 125 HA2 GLY 17 HA2 GLY 17 1.714 -5.586 11.997 126 HA3 GLY 17 HA3 GLY 17 2.875 -6.913 11.919 127 H ALA 18 H ALA 18 1.828 -7.371 8.942 128 HA ALA 18 HA ALA 18 3.960 -5.920 7.730 129 HB1 ALA 18 HB1 ALA 18 2.970 -6.586 5.598 130 HB2 ALA 18 HB2 ALA 18 2.945 -7.946 6.739 131 HB3 ALA 18 HB3 ALA 18 1.455 -7.028 6.408 132 H LYS 19 H LYS 19 4.036 -3.824 6.959 133 HA LYS 19 HA LYS 19 1.567 -2.157 7.268 134 HB2 LYS 19 HB2 LYS 19 4.525 -1.477 7.174 135 HB3 LYS 19 HB3 LYS 19 3.253 -0.276 7.159 136 HG2 LYS 19 HG2 LYS 19 3.792 -2.321 9.364 137 HG3 LYS 19 HG3 LYS 19 4.189 -0.624 9.408 138 HD2 LYS 19 HD2 LYS 19 2.322 -0.575 10.662 139 HD3 LYS 19 HD3 LYS 19 1.581 -0.258 9.091 140 HE2 LYS 19 HE2 LYS 19 0.763 -2.560 8.939 141 HE3 LYS 19 HE3 LYS 19 1.791 -3.052 10.311 142 HZ1 LYS 19 HZ1 LYS 19 -0.459 -2.756 11.004 143 HZ2 LYS 19 HZ2 LYS 19 -0.546 -1.287 10.314 144 HZ3 LYS 19 HZ3 LYS 19 0.421 -1.493 11.646 145 H LEU 20 H LEU 20 0.898 -0.630 5.587 146 HA LEU 20 HA LEU 20 2.032 -1.298 2.940 147 HB2 LEU 20 HB2 LEU 20 -0.141 -2.381 3.372 148 HB3 LEU 20 HB3 LEU 20 -0.815 -0.803 3.782 149 HG LEU 20 HG LEU 20 -0.636 0.017 1.571 150 HD11 LEU 20 HD11 LEU 20 0.777 -2.572 0.933 151 HD12 LEU 20 HD12 LEU 20 1.420 -0.907 0.809 152 HD13 LEU 20 HD13 LEU 20 0.156 -1.449 -0.273 153 HD21 LEU 20 HD21 LEU 20 -1.661 -2.855 1.508 154 HD22 LEU 20 HD22 LEU 20 -2.223 -1.499 0.504 155 HD23 LEU 20 HD23 LEU 20 -2.532 -1.527 2.262 156 H ILE 21 H ILE 21 2.629 0.470 1.769 157 HA ILE 21 HA ILE 21 2.088 3.135 2.984 158 HB ILE 21 HB ILE 21 4.159 2.517 0.907 159 HG12 ILE 21 HG12 ILE 21 4.769 1.020 2.684 160 HG13 ILE 21 HG13 ILE 21 5.864 2.389 2.694 161 HG21 ILE 21 HG21 ILE 21 3.580 4.902 1.272 162 HG22 ILE 21 HG22 ILE 21 3.933 4.727 2.993 163 HG23 ILE 21 HG23 ILE 21 5.236 4.552 1.801 164 HD11 ILE 21 HD11 ILE 21 4.788 3.353 4.632 165 HD12 ILE 21 HD12 ILE 21 3.478 2.147 4.585 166 HD13 ILE 21 HD13 ILE 21 5.109 1.644 4.977 167 H ASP 22 H ASP 22 0.686 4.405 2.072 168 HA ASP 22 HA ASP 22 -0.496 3.807 -0.538 169 HB2 ASP 22 HB2 ASP 22 -1.856 4.137 1.476 170 HB3 ASP 22 HB3 ASP 22 -1.172 5.725 1.691 171 H ILE 23 H ILE 23 1.301 4.282 -1.779 172 HA ILE 23 HA ILE 23 2.404 7.027 -1.881 173 HB ILE 23 HB ILE 23 4.045 6.081 -3.356 174 HG12 ILE 23 HG12 ILE 23 3.292 3.214 -2.975 175 HG13 ILE 23 HG13 ILE 23 2.154 4.122 -3.955 176 HG21 ILE 23 HG21 ILE 23 5.247 4.603 -1.900 177 HG22 ILE 23 HG22 ILE 23 4.508 5.901 -0.947 178 HG23 ILE 23 HG23 ILE 23 3.791 4.275 -0.941 179 HD11 ILE 23 HD11 ILE 23 5.118 4.003 -4.498 180 HD12 ILE 23 HD12 ILE 23 3.822 3.144 -5.379 181 HD13 ILE 23 HD13 ILE 23 3.891 4.903 -5.430 182 H ARG 24 H ARG 24 -0.383 6.779 -2.853 183 HA ARG 24 HA ARG 24 0.017 7.052 -5.821 184 HB2 ARG 24 HB2 ARG 24 -2.572 6.780 -5.827 185 HB3 ARG 24 HB3 ARG 24 -1.495 5.393 -5.748 186 HG2 ARG 24 HG2 ARG 24 -1.829 5.045 -3.450 187 HG3 ARG 24 HG3 ARG 24 -2.464 6.697 -3.255 188 HD2 ARG 24 HD2 ARG 24 -4.511 5.937 -4.604 189 HD3 ARG 24 HD3 ARG 24 -3.963 4.276 -4.230 190 HE ARG 24 HE ARG 24 -3.804 5.866 -1.891 191 HH11 ARG 24 HH11 ARG 24 -6.448 4.328 -3.778 192 HH12 ARG 24 HH12 ARG 24 -7.544 4.387 -2.444 193 HH21 ARG 24 HH21 ARG 24 -5.247 5.776 -0.235 194 HH22 ARG 24 HH22 ARG 24 -6.950 5.470 -0.458 195 H ASP 25 H ASP 25 -2.761 8.413 -4.042 196 HA ASP 25 HA ASP 25 -1.736 11.131 -4.349 197 HB2 ASP 25 HB2 ASP 25 -2.645 10.546 -6.574 198 HB3 ASP 25 HB3 ASP 25 -4.140 9.970 -5.814 199 H ALA 26 H ALA 26 -3.289 12.649 -3.370 200 HA ALA 26 HA ALA 26 -4.462 11.530 -0.944 201 HB1 ALA 26 HB1 ALA 26 -4.365 14.395 -1.995 202 HB2 ALA 26 HB2 ALA 26 -4.830 13.887 -0.355 203 HB3 ALA 26 HB3 ALA 26 -3.161 13.636 -0.913 204 H ASP 27 H ASP 27 -5.760 12.773 -4.082 205 HA ASP 27 HA ASP 27 -8.399 13.225 -3.048 206 HB2 ASP 27 HB2 ASP 27 -7.383 12.807 -5.873 207 HB3 ASP 27 HB3 ASP 27 -9.080 12.937 -5.500 208 H GLU 28 H GLU 28 -6.747 10.281 -4.032 209 HA GLU 28 HA GLU 28 -9.157 8.761 -4.413 210 HB2 GLU 28 HB2 GLU 28 -6.392 7.787 -3.546 211 HB3 GLU 28 HB3 GLU 28 -7.722 6.759 -4.088 212 HG2 GLU 28 HG2 GLU 28 -6.243 8.820 -5.732 213 HG3 GLU 28 HG3 GLU 28 -6.102 7.075 -5.867 214 H TYR 29 H TYR 29 -6.972 9.205 -1.695 215 HA TYR 29 HA TYR 29 -8.138 7.632 0.283 216 HB2 TYR 29 HB2 TYR 29 -5.892 8.894 0.166 217 HB3 TYR 29 HB3 TYR 29 -6.764 10.262 0.833 218 HD1 TYR 29 HD1 TYR 29 -5.478 6.856 1.461 219 HD2 TYR 29 HD2 TYR 29 -7.521 10.213 3.205 220 HE1 TYR 29 HE1 TYR 29 -5.107 5.893 3.702 221 HE2 TYR 29 HE2 TYR 29 -7.144 9.276 5.460 222 HH TYR 29 HH TYR 29 -6.334 7.468 6.689 223 H LEU 30 H LEU 30 -9.487 10.523 -1.109 224 HA LEU 30 HA LEU 30 -10.890 11.486 1.204 225 HB2 LEU 30 HB2 LEU 30 -10.123 12.752 -0.856 226 HB3 LEU 30 HB3 LEU 30 -11.398 11.965 -1.776 227 HG LEU 30 HG LEU 30 -12.168 13.310 0.779 228 HD11 LEU 30 HD11 LEU 30 -10.652 14.959 -0.119 229 HD12 LEU 30 HD12 LEU 30 -12.309 15.523 -0.392 230 HD13 LEU 30 HD13 LEU 30 -11.376 14.822 -1.734 231 HD21 LEU 30 HD21 LEU 30 -13.965 12.275 -0.576 232 HD22 LEU 30 HD22 LEU 30 -13.447 13.201 -1.992 233 HD23 LEU 30 HD23 LEU 30 -14.146 14.037 -0.593 234 H ARG 31 H ARG 31 -11.634 9.311 -1.519 235 HA ARG 31 HA ARG 31 -14.438 8.977 -0.498 236 HB2 ARG 31 HB2 ARG 31 -13.206 8.286 -3.189 237 HB3 ARG 31 HB3 ARG 31 -14.861 7.962 -2.706 238 HG2 ARG 31 HG2 ARG 31 -14.641 10.692 -2.167 239 HG3 ARG 31 HG3 ARG 31 -13.574 10.509 -3.562 240 HD2 ARG 31 HD2 ARG 31 -15.805 11.023 -4.366 241 HD3 ARG 31 HD3 ARG 31 -15.438 9.329 -4.753 242 HE ARG 31 HE ARG 31 -17.058 8.591 -3.267 243 HH11 ARG 31 HH11 ARG 31 -16.878 12.138 -2.870 244 HH12 ARG 31 HH12 ARG 31 -17.717 12.113 -1.356 245 HH21 ARG 31 HH21 ARG 31 -18.408 8.622 -1.479 246 HH22 ARG 31 HH22 ARG 31 -18.840 10.133 -0.739 247 H GLU 32 H GLU 32 -11.473 7.140 -1.235 248 HA GLU 32 HA GLU 32 -12.674 4.815 0.189 249 HB2 GLU 32 HB2 GLU 32 -11.278 4.761 -2.547 250 HB3 GLU 32 HB3 GLU 32 -11.591 3.338 -1.565 251 HG2 GLU 32 HG2 GLU 32 -14.108 4.062 -1.759 252 HG3 GLU 32 HG3 GLU 32 -13.582 5.181 -2.997 253 H HIS 33 H HIS 33 -10.823 3.140 0.489 254 HA HIS 33 HA HIS 33 -8.174 4.402 0.614 255 HB2 HIS 33 HB2 HIS 33 -9.273 3.085 3.077 256 HB3 HIS 33 HB3 HIS 33 -7.762 3.978 2.822 257 HD1 HIS 33 HD1 HIS 33 -7.846 6.477 3.633 258 HD2 HIS 33 HD2 HIS 33 -11.589 4.798 2.742 259 HE1 HIS 33 HE1 HIS 33 -9.579 8.153 4.393 260 H ILE 34 H ILE 34 -7.735 1.880 2.412 261 HA ILE 34 HA ILE 34 -7.972 -0.334 0.513 262 HB ILE 34 HB ILE 34 -5.840 1.490 0.297 263 HG12 ILE 34 HG12 ILE 34 -6.550 -0.972 -0.990 264 HG13 ILE 34 HG13 ILE 34 -5.876 0.546 -1.563 265 HG21 ILE 34 HG21 ILE 34 -4.947 0.784 2.457 266 HG22 ILE 34 HG22 ILE 34 -4.540 -0.787 1.766 267 HG23 ILE 34 HG23 ILE 34 -3.834 0.691 1.076 268 HD11 ILE 34 HD11 ILE 34 -4.334 -1.910 -0.688 269 HD12 ILE 34 HD12 ILE 34 -4.392 -1.123 -2.263 270 HD13 ILE 34 HD13 ILE 34 -3.601 -0.333 -0.878 271 HA PRO 35 HA PRO 35 -7.444 -2.888 4.174 272 HB2 PRO 35 HB2 PRO 35 -5.813 -4.964 3.492 273 HB3 PRO 35 HB3 PRO 35 -7.470 -4.736 2.937 274 HG2 PRO 35 HG2 PRO 35 -4.953 -4.160 1.374 275 HG3 PRO 35 HG3 PRO 35 -6.434 -4.813 0.812 276 HD2 PRO 35 HD2 PRO 35 -5.755 -2.217 0.629 277 HD3 PRO 35 HD3 PRO 35 -7.449 -2.744 0.590 278 H GLU 36 H GLU 36 -6.458 -1.055 5.269 279 HA GLU 36 HA GLU 36 -5.112 -0.117 6.716 280 HB2 GLU 36 HB2 GLU 36 -5.077 -2.607 7.404 281 HB3 GLU 36 HB3 GLU 36 -3.423 -2.612 6.853 282 HG2 GLU 36 HG2 GLU 36 -4.711 -0.964 9.056 283 HG3 GLU 36 HG3 GLU 36 -3.475 -2.234 9.225 284 H ALA 37 H ALA 37 -4.273 1.495 5.260 285 HA ALA 37 HA ALA 37 -1.344 1.236 4.913 286 HB1 ALA 37 HB1 ALA 37 -3.180 2.410 2.803 287 HB2 ALA 37 HB2 ALA 37 -1.408 2.290 2.759 288 HB3 ALA 37 HB3 ALA 37 -2.380 0.817 2.730 289 H ASP 38 H ASP 38 -0.329 3.374 4.838 290 HA ASP 38 HA ASP 38 -1.902 5.553 6.162 291 HB2 ASP 38 HB2 ASP 38 0.689 4.295 6.787 292 HB3 ASP 38 HB3 ASP 38 0.779 6.047 6.660 293 H LEU 39 H LEU 39 -1.908 7.474 5.126 294 HA LEU 39 HA LEU 39 -1.233 7.598 2.388 295 HB2 LEU 39 HB2 LEU 39 -3.126 8.799 3.561 296 HB3 LEU 39 HB3 LEU 39 -1.924 9.935 4.176 297 HG LEU 39 HG LEU 39 -1.261 10.430 1.776 298 HD11 LEU 39 HD11 LEU 39 -2.034 8.418 0.622 299 HD12 LEU 39 HD12 LEU 39 -2.945 9.789 -0.004 300 HD13 LEU 39 HD13 LEU 39 -3.691 8.688 1.167 301 HD21 LEU 39 HD21 LEU 39 -3.189 11.829 1.254 302 HD22 LEU 39 HD22 LEU 39 -2.839 11.892 2.986 303 HD23 LEU 39 HD23 LEU 39 -4.206 10.911 2.385 304 H ALA 40 H ALA 40 0.760 7.770 1.510 305 HA ALA 40 HA ALA 40 2.532 9.929 2.368 306 HB1 ALA 40 HB1 ALA 40 4.456 8.461 2.726 307 HB2 ALA 40 HB2 ALA 40 3.193 8.159 3.935 308 HB3 ALA 40 HB3 ALA 40 3.400 7.029 2.582 309 HA PRO 41 HA PRO 41 2.195 8.951 -2.179 310 HB2 PRO 41 HB2 PRO 41 2.315 11.583 -3.047 311 HB3 PRO 41 HB3 PRO 41 0.837 10.651 -2.698 312 HG2 PRO 41 HG2 PRO 41 2.285 12.612 -0.953 313 HG3 PRO 41 HG3 PRO 41 0.518 12.405 -1.170 314 HD2 PRO 41 HD2 PRO 41 1.827 11.428 1.000 315 HD3 PRO 41 HD3 PRO 41 0.454 10.559 0.262 316 H LEU 42 H LEU 42 3.701 9.582 -3.960 317 HA LEU 42 HA LEU 42 6.359 9.000 -3.457 318 HB2 LEU 42 HB2 LEU 42 5.261 8.833 -5.652 319 HB3 LEU 42 HB3 LEU 42 5.056 10.584 -5.698 320 HG LEU 42 HG LEU 42 7.598 10.783 -5.730 321 HD11 LEU 42 HD11 LEU 42 8.231 8.687 -4.886 322 HD12 LEU 42 HD12 LEU 42 8.909 8.896 -6.503 323 HD13 LEU 42 HD13 LEU 42 7.502 7.834 -6.270 324 HD21 LEU 42 HD21 LEU 42 6.189 11.045 -7.758 325 HD22 LEU 42 HD22 LEU 42 6.241 9.287 -8.014 326 HD23 LEU 42 HD23 LEU 42 7.724 10.251 -8.154 327 H SER 43 H SER 43 4.801 12.191 -3.509 328 HA SER 43 HA SER 43 6.980 13.893 -3.510 329 HB2 SER 43 HB2 SER 43 4.516 14.349 -1.799 330 HB3 SER 43 HB3 SER 43 5.384 15.497 -2.822 331 HG SER 43 HG SER 43 4.603 14.235 -4.646 332 H VAL 44 H VAL 44 5.449 12.175 -0.751 333 HA VAL 44 HA VAL 44 7.031 13.420 1.307 334 HB VAL 44 HB VAL 44 5.359 10.860 1.309 335 HG11 VAL 44 HG11 VAL 44 5.146 11.191 3.717 336 HG12 VAL 44 HG12 VAL 44 6.840 10.993 3.277 337 HG13 VAL 44 HG13 VAL 44 6.208 12.615 3.637 338 HG21 VAL 44 HG21 VAL 44 3.947 12.711 0.614 339 HG22 VAL 44 HG22 VAL 44 3.577 12.319 2.290 340 HG23 VAL 44 HG23 VAL 44 4.573 13.739 1.917 341 H LEU 45 H LEU 45 7.084 10.281 -0.369 342 HA LEU 45 HA LEU 45 9.218 9.062 1.042 343 HB2 LEU 45 HB2 LEU 45 8.111 8.726 -1.764 344 HB3 LEU 45 HB3 LEU 45 9.434 7.767 -1.198 345 HG LEU 45 HG LEU 45 6.914 6.935 -1.082 346 HD11 LEU 45 HD11 LEU 45 8.875 5.594 -0.502 347 HD12 LEU 45 HD12 LEU 45 7.569 5.320 0.659 348 HD13 LEU 45 HD13 LEU 45 8.926 6.364 1.113 349 HD21 LEU 45 HD21 LEU 45 7.273 8.025 1.748 350 HD22 LEU 45 HD22 LEU 45 5.948 6.996 1.127 351 HD23 LEU 45 HD23 LEU 45 6.093 8.638 0.547 352 H GLU 46 H GLU 46 9.287 11.052 -1.962 353 HA GLU 46 HA GLU 46 12.056 10.832 -2.430 354 HB2 GLU 46 HB2 GLU 46 9.774 12.604 -3.270 355 HB3 GLU 46 HB3 GLU 46 11.382 13.188 -3.556 356 HG2 GLU 46 HG2 GLU 46 10.517 10.408 -4.427 357 HG3 GLU 46 HG3 GLU 46 10.264 11.833 -5.410 358 H GLN 47 H GLN 47 10.083 13.287 -0.767 359 HA GLN 47 HA GLN 47 12.153 15.098 -0.107 360 HB2 GLN 47 HB2 GLN 47 9.377 14.503 0.955 361 HB3 GLN 47 HB3 GLN 47 10.386 15.686 1.753 362 HG2 GLN 47 HG2 GLN 47 9.928 15.914 -1.239 363 HG3 GLN 47 HG3 GLN 47 8.730 16.487 -0.077 364 HE21 GLN 47 HE21 GLN 47 12.014 17.104 -1.316 365 HE22 GLN 47 HE22 GLN 47 12.200 18.625 -0.532 366 H SER 48 H SER 48 11.486 11.994 1.279 367 HA SER 48 HA SER 48 13.685 12.327 3.089 368 HB2 SER 48 HB2 SER 48 11.625 13.487 4.267 369 HB3 SER 48 HB3 SER 48 11.110 11.846 4.614 370 HG SER 48 HG SER 48 12.362 12.854 6.213 371 H GLY 49 H GLY 49 10.663 10.337 3.408 372 HA2 GLY 49 HA2 GLY 49 11.248 8.100 2.021 373 HA3 GLY 49 HA3 GLY 49 12.299 7.934 3.438 374 H LEU 50 H LEU 50 11.259 6.225 4.192 375 HA LEU 50 HA LEU 50 8.462 5.926 4.733 376 HB2 LEU 50 HB2 LEU 50 10.034 4.134 4.012 377 HB3 LEU 50 HB3 LEU 50 10.957 4.366 5.494 378 HG LEU 50 HG LEU 50 8.851 3.709 6.803 379 HD11 LEU 50 HD11 LEU 50 7.197 4.089 4.923 380 HD12 LEU 50 HD12 LEU 50 7.165 2.450 5.570 381 HD13 LEU 50 HD13 LEU 50 7.973 2.782 4.023 382 HD21 LEU 50 HD21 LEU 50 9.228 1.290 6.252 383 HD22 LEU 50 HD22 LEU 50 10.743 2.184 6.437 384 HD23 LEU 50 HD23 LEU 50 10.110 1.786 4.823 385 HA PRO 51 HA PRO 51 8.897 7.841 8.849 386 HB2 PRO 51 HB2 PRO 51 6.414 7.182 9.869 387 HB3 PRO 51 HB3 PRO 51 6.706 8.574 8.766 388 HG2 PRO 51 HG2 PRO 51 5.685 5.810 8.122 389 HG3 PRO 51 HG3 PRO 51 5.088 7.382 7.498 390 HD2 PRO 51 HD2 PRO 51 6.747 5.786 6.076 391 HD3 PRO 51 HD3 PRO 51 6.906 7.567 5.991 392 H ALA 52 H ALA 52 9.262 7.102 10.960 393 HA ALA 52 HA ALA 52 10.083 4.504 11.422 394 HB1 ALA 52 HB1 ALA 52 10.686 6.426 12.844 395 HB2 ALA 52 HB2 ALA 52 9.027 6.472 13.490 396 HB3 ALA 52 HB3 ALA 52 10.070 5.069 13.801 397 H LYS 53 H LYS 53 6.752 5.844 11.899 398 HA LYS 53 HA LYS 53 5.573 3.829 13.368 399 HB2 LYS 53 HB2 LYS 53 4.456 5.936 12.725 400 HB3 LYS 53 HB3 LYS 53 4.520 5.470 11.014 401 HG2 LYS 53 HG2 LYS 53 3.081 3.547 11.457 402 HG3 LYS 53 HG3 LYS 53 3.021 3.983 13.179 403 HD2 LYS 53 HD2 LYS 53 1.748 6.023 12.590 404 HD3 LYS 53 HD3 LYS 53 1.958 5.665 10.859 405 HE2 LYS 53 HE2 LYS 53 0.759 3.477 11.210 406 HE3 LYS 53 HE3 LYS 53 0.451 3.943 12.887 407 HZ1 LYS 53 HZ1 LYS 53 -0.525 5.401 10.495 408 HZ2 LYS 53 HZ2 LYS 53 -0.851 5.809 12.061 409 HZ3 LYS 53 HZ3 LYS 53 -1.421 4.412 11.407 410 H LEU 54 H LEU 54 6.356 3.874 9.879 411 HA LEU 54 HA LEU 54 5.301 1.090 9.670 412 HB2 LEU 54 HB2 LEU 54 5.834 3.087 7.458 413 HB3 LEU 54 HB3 LEU 54 4.850 1.631 7.354 414 HG LEU 54 HG LEU 54 4.093 4.082 9.030 415 HD11 LEU 54 HD11 LEU 54 4.322 4.566 6.552 416 HD12 LEU 54 HD12 LEU 54 2.809 4.954 7.355 417 HD13 LEU 54 HD13 LEU 54 2.910 3.501 6.336 418 HD21 LEU 54 HD21 LEU 54 1.854 3.161 9.026 419 HD22 LEU 54 HD22 LEU 54 2.975 1.944 9.677 420 HD23 LEU 54 HD23 LEU 54 2.360 1.803 8.010 421 H ARG 55 H ARG 55 8.060 1.862 10.619 422 HA ARG 55 HA ARG 55 9.801 1.023 8.408 423 HB2 ARG 55 HB2 ARG 55 11.619 1.537 9.844 424 HB3 ARG 55 HB3 ARG 55 10.395 2.769 10.097 425 HG2 ARG 55 HG2 ARG 55 10.534 2.321 12.322 426 HG3 ARG 55 HG3 ARG 55 9.729 0.773 11.978 427 HD2 ARG 55 HD2 ARG 55 12.144 -0.103 11.531 428 HD3 ARG 55 HD3 ARG 55 12.699 1.388 12.282 429 HE ARG 55 HE ARG 55 10.910 0.497 14.102 430 HH11 ARG 55 HH11 ARG 55 13.579 -1.225 12.481 431 HH12 ARG 55 HH12 ARG 55 13.607 -2.511 13.634 432 HH21 ARG 55 HH21 ARG 55 11.047 -1.124 15.658 433 HH22 ARG 55 HH22 ARG 55 12.189 -2.425 15.523 434 H HIS 56 H HIS 56 7.861 -0.884 9.938 435 HA HIS 56 HA HIS 56 9.204 -2.957 11.248 436 HB2 HIS 56 HB2 HIS 56 6.873 -3.190 9.298 437 HB3 HIS 56 HB3 HIS 56 7.388 -4.458 10.400 438 HD1 HIS 56 HD1 HIS 56 4.562 -3.892 10.938 439 HD2 HIS 56 HD2 HIS 56 7.611 -1.418 12.478 440 HE1 HIS 56 HE1 HIS 56 3.562 -2.658 12.923 441 H GLU 57 H GLU 57 9.954 -5.088 10.568 442 HA GLU 57 HA GLU 57 11.754 -4.964 8.348 443 HB2 GLU 57 HB2 GLU 57 10.875 -7.318 10.063 444 HB3 GLU 57 HB3 GLU 57 12.064 -7.441 8.774 445 HG2 GLU 57 HG2 GLU 57 13.394 -7.151 10.649 446 HG3 GLU 57 HG3 GLU 57 13.369 -5.547 9.896 447 H GLN 58 H GLN 58 8.395 -5.523 8.209 448 HA GLN 58 HA GLN 58 8.674 -6.584 5.482 449 HB2 GLN 58 HB2 GLN 58 6.888 -7.779 7.624 450 HB3 GLN 58 HB3 GLN 58 6.665 -8.036 5.899 451 HG2 GLN 58 HG2 GLN 58 9.029 -8.964 5.796 452 HG3 GLN 58 HG3 GLN 58 9.073 -8.902 7.564 453 HE21 GLN 58 HE21 GLN 58 8.755 -11.220 5.226 454 HE22 GLN 58 HE22 GLN 58 7.380 -12.102 5.802 455 H ILE 59 H ILE 59 7.781 -5.025 4.257 456 HA ILE 59 HA ILE 59 5.231 -3.828 5.093 457 HB ILE 59 HB ILE 59 5.796 -1.856 5.326 458 HG12 ILE 59 HG12 ILE 59 7.488 -1.918 2.895 459 HG13 ILE 59 HG13 ILE 59 5.883 -1.239 3.121 460 HG21 ILE 59 HG21 ILE 59 7.489 -2.763 6.768 461 HG22 ILE 59 HG22 ILE 59 8.708 -2.637 5.461 462 HG23 ILE 59 HG23 ILE 59 7.977 -1.200 6.172 463 HD11 ILE 59 HD11 ILE 59 7.314 0.596 3.055 464 HD12 ILE 59 HD12 ILE 59 6.831 0.350 4.751 465 HD13 ILE 59 HD13 ILE 59 8.454 -0.129 4.207 466 H ILE 60 H ILE 60 4.255 -2.762 3.131 467 HA ILE 60 HA ILE 60 4.991 -4.078 0.577 468 HB ILE 60 HB ILE 60 2.186 -4.031 1.775 469 HG12 ILE 60 HG12 ILE 60 4.218 -6.278 1.535 470 HG13 ILE 60 HG13 ILE 60 3.496 -5.639 3.016 471 HG21 ILE 60 HG21 ILE 60 2.128 -3.894 -0.694 472 HG22 ILE 60 HG22 ILE 60 3.281 -5.257 -0.811 473 HG23 ILE 60 HG23 ILE 60 1.631 -5.454 -0.227 474 HD11 ILE 60 HD11 ILE 60 2.550 -7.799 2.435 475 HD12 ILE 60 HD12 ILE 60 1.298 -6.545 2.380 476 HD13 ILE 60 HD13 ILE 60 2.051 -7.179 0.870 477 H PHE 61 H PHE 61 3.888 -2.964 -1.174 478 HA PHE 61 HA PHE 61 3.237 -0.085 -0.712 479 HB2 PHE 61 HB2 PHE 61 5.392 -1.399 -2.387 480 HB3 PHE 61 HB3 PHE 61 4.647 0.088 -2.969 481 HD1 PHE 61 HD1 PHE 61 4.827 2.190 -1.635 482 HD2 PHE 61 HD2 PHE 61 6.966 -1.359 -0.454 483 HE1 PHE 61 HE1 PHE 61 6.362 3.556 -0.233 484 HE2 PHE 61 HE2 PHE 61 8.476 0.025 0.916 485 HZ PHE 61 HZ PHE 61 8.196 2.471 1.032 486 H HIS 62 H HIS 62 1.605 0.719 -2.091 487 HA HIS 62 HA HIS 62 0.572 -0.999 -4.248 488 HB2 HIS 62 HB2 HIS 62 -1.588 -1.072 -3.590 489 HB3 HIS 62 HB3 HIS 62 -0.830 -1.333 -2.065 490 HD1 HIS 62 HD1 HIS 62 -3.328 0.813 -3.735 491 HD2 HIS 62 HD2 HIS 62 -0.634 1.164 -0.498 492 HE1 HIS 62 HE1 HIS 62 -4.126 2.785 -2.310 493 H CYS 63 H CYS 63 -1.439 0.605 -5.244 494 HA CYS 63 HA CYS 63 -0.705 3.382 -5.204 495 HB2 CYS 63 HB2 CYS 63 -0.004 3.505 -7.602 496 HB3 CYS 63 HB3 CYS 63 1.133 2.662 -6.575 497 HG CYS 63 HG CYS 63 -0.086 0.254 -7.074 498 H GLN 64 H GLN 64 -1.866 4.033 -7.786 499 HA GLN 64 HA GLN 64 -4.698 3.651 -7.136 500 HB2 GLN 64 HB2 GLN 64 -3.326 5.760 -8.053 501 HB3 GLN 64 HB3 GLN 64 -3.636 5.053 -9.616 502 HG2 GLN 64 HG2 GLN 64 -5.970 5.419 -7.705 503 HG3 GLN 64 HG3 GLN 64 -5.202 6.863 -8.334 504 HE21 GLN 64 HE21 GLN 64 -7.465 7.200 -9.169 505 HE22 GLN 64 HE22 GLN 64 -7.728 6.633 -10.822 506 H ALA 65 H ALA 65 -6.179 2.786 -8.970 507 HA ALA 65 HA ALA 65 -5.166 0.261 -9.967 508 HB1 ALA 65 HB1 ALA 65 -7.479 -0.036 -10.748 509 HB2 ALA 65 HB2 ALA 65 -7.374 0.409 -9.045 510 HB3 ALA 65 HB3 ALA 65 -7.860 1.624 -10.245 511 H GLY 66 H GLY 66 -3.567 1.512 -11.127 512 HA2 GLY 66 HA2 GLY 66 -3.401 1.054 -13.810 513 HA3 GLY 66 HA3 GLY 66 -4.232 2.611 -13.798 514 H LYS 67 H LYS 67 -1.729 1.473 -11.486 515 HA LYS 67 HA LYS 67 0.041 3.629 -12.539 516 HB2 LYS 67 HB2 LYS 67 -1.145 3.347 -9.887 517 HB3 LYS 67 HB3 LYS 67 0.611 3.291 -9.783 518 HG2 LYS 67 HG2 LYS 67 -0.882 5.481 -11.264 519 HG3 LYS 67 HG3 LYS 67 -0.416 5.558 -9.556 520 HD2 LYS 67 HD2 LYS 67 1.955 5.212 -10.141 521 HD3 LYS 67 HD3 LYS 67 1.530 5.099 -11.857 522 HE2 LYS 67 HE2 LYS 67 0.524 7.449 -11.610 523 HE3 LYS 67 HE3 LYS 67 1.340 7.518 -10.036 524 HZ1 LYS 67 HZ1 LYS 67 2.743 8.444 -11.728 525 HZ2 LYS 67 HZ2 LYS 67 2.593 7.097 -12.679 526 HZ3 LYS 67 HZ3 LYS 67 3.411 7.003 -11.245 527 H ARG 68 H ARG 68 -0.007 0.435 -10.965 528 HA ARG 68 HA ARG 68 1.535 -1.195 -10.758 529 HB2 ARG 68 HB2 ARG 68 2.660 -0.020 -13.310 530 HB3 ARG 68 HB3 ARG 68 3.448 -1.295 -12.439 531 HG2 ARG 68 HG2 ARG 68 2.332 -2.354 -14.092 532 HG3 ARG 68 HG3 ARG 68 1.453 -2.751 -12.636 533 HD2 ARG 68 HD2 ARG 68 -0.489 -1.694 -13.368 534 HD3 ARG 68 HD3 ARG 68 0.398 -0.453 -14.259 535 HE ARG 68 HE ARG 68 0.949 -2.911 -15.499 536 HH11 ARG 68 HH11 ARG 68 -2.086 -1.150 -14.996 537 HH12 ARG 68 HH12 ARG 68 -2.581 -1.242 -16.640 538 HH21 ARG 68 HH21 ARG 68 0.294 -3.107 -17.663 539 HH22 ARG 68 HH22 ARG 68 -1.220 -2.463 -18.187 540 H THR 69 H THR 69 2.294 -0.548 -8.763 541 HA THR 69 HA THR 69 3.925 1.490 -7.942 542 HB THR 69 HB THR 69 4.869 -0.333 -6.328 543 HG1 THR 69 HG1 THR 69 2.687 -1.866 -7.263 544 HG21 THR 69 HG21 THR 69 3.017 1.163 -5.711 545 HG22 THR 69 HG22 THR 69 2.920 -0.446 -4.992 546 HG23 THR 69 HG23 THR 69 1.859 -0.030 -6.356 547 H SER 70 H SER 70 4.871 -1.605 -9.297 548 HA SER 70 HA SER 70 7.442 -1.957 -9.162 549 HB2 SER 70 HB2 SER 70 5.891 -2.236 -11.752 550 HB3 SER 70 HB3 SER 70 7.141 -3.316 -11.107 551 HG SER 70 HG SER 70 4.807 -3.964 -10.840 552 H ASN 71 H ASN 71 5.871 0.352 -11.243 553 HA ASN 71 HA ASN 71 7.832 1.101 -13.126 554 HB2 ASN 71 HB2 ASN 71 5.665 2.701 -11.698 555 HB3 ASN 71 HB3 ASN 71 6.763 3.460 -12.845 556 HD21 ASN 71 HD21 ASN 71 4.450 3.833 -13.741 557 HD22 ASN 71 HD22 ASN 71 4.073 2.769 -15.080 558 H ASN 72 H ASN 72 7.592 2.148 -9.746 559 HA ASN 72 HA ASN 72 10.328 3.325 -9.999 560 HB2 ASN 72 HB2 ASN 72 8.072 4.631 -8.456 561 HB3 ASN 72 HB3 ASN 72 9.684 5.276 -8.752 562 HD21 ASN 72 HD21 ASN 72 10.171 5.324 -11.390 563 HD22 ASN 72 HD22 ASN 72 8.847 6.047 -12.265 564 H ALA 73 H ALA 73 8.710 0.908 -8.709 565 HA ALA 73 HA ALA 73 8.894 1.014 -5.946 566 HB1 ALA 73 HB1 ALA 73 8.730 -1.365 -5.986 567 HB2 ALA 73 HB2 ALA 73 7.659 -0.696 -7.197 568 HB3 ALA 73 HB3 ALA 73 9.210 -1.433 -7.689 569 H ASP 74 H ASP 74 11.496 0.608 -8.207 570 HA ASP 74 HA ASP 74 13.354 -0.778 -6.609 571 HB2 ASP 74 HB2 ASP 74 13.748 1.309 -8.766 572 HB3 ASP 74 HB3 ASP 74 15.076 0.434 -8.017 573 H LYS 75 H LYS 75 12.609 2.780 -6.666 574 HA LYS 75 HA LYS 75 14.668 3.382 -4.777 575 HB2 LYS 75 HB2 LYS 75 12.834 4.848 -6.419 576 HB3 LYS 75 HB3 LYS 75 12.441 5.289 -4.771 577 HG2 LYS 75 HG2 LYS 75 15.212 5.467 -6.047 578 HG3 LYS 75 HG3 LYS 75 14.090 6.810 -5.804 579 HD2 LYS 75 HD2 LYS 75 14.149 6.330 -3.331 580 HD3 LYS 75 HD3 LYS 75 15.375 5.110 -3.645 581 HE2 LYS 75 HE2 LYS 75 16.543 7.045 -2.896 582 HE3 LYS 75 HE3 LYS 75 16.861 6.911 -4.622 583 HZ1 LYS 75 HZ1 LYS 75 15.247 8.676 -4.996 584 HZ2 LYS 75 HZ2 LYS 75 16.358 9.184 -3.927 585 HZ3 LYS 75 HZ3 LYS 75 14.904 8.790 -3.377 586 H LEU 76 H LEU 76 11.205 2.608 -4.571 587 HA LEU 76 HA LEU 76 10.724 3.146 -1.849 588 HB2 LEU 76 HB2 LEU 76 9.515 0.780 -3.329 589 HB3 LEU 76 HB3 LEU 76 8.854 1.631 -1.954 590 HG LEU 76 HG LEU 76 9.226 2.825 -4.719 591 HD11 LEU 76 HD11 LEU 76 6.936 2.553 -5.148 592 HD12 LEU 76 HD12 LEU 76 6.550 2.182 -3.463 593 HD13 LEU 76 HD13 LEU 76 7.399 0.985 -4.436 594 HD21 LEU 76 HD21 LEU 76 9.260 4.526 -2.905 595 HD22 LEU 76 HD22 LEU 76 7.659 3.970 -2.374 596 HD23 LEU 76 HD23 LEU 76 7.885 4.658 -3.997 597 H ALA 77 H ALA 77 12.080 0.263 -3.390 598 HA ALA 77 HA ALA 77 12.239 -1.483 -1.189 599 HB1 ALA 77 HB1 ALA 77 12.737 -2.202 -3.498 600 HB2 ALA 77 HB2 ALA 77 14.196 -1.195 -3.528 601 HB3 ALA 77 HB3 ALA 77 14.095 -2.565 -2.421 602 H ALA 78 H ALA 78 14.820 0.667 -2.448 603 HA ALA 78 HA ALA 78 16.639 0.317 -0.298 604 HB1 ALA 78 HB1 ALA 78 17.375 1.206 -2.416 605 HB2 ALA 78 HB2 ALA 78 16.281 2.612 -2.279 606 HB3 ALA 78 HB3 ALA 78 17.657 2.432 -1.179 607 H ILE 79 H ILE 79 14.030 2.700 -0.774 608 HA ILE 79 HA ILE 79 14.588 4.468 1.361 609 HB ILE 79 HB ILE 79 12.271 3.732 -0.365 610 HG12 ILE 79 HG12 ILE 79 13.540 6.376 0.411 611 HG13 ILE 79 HG13 ILE 79 14.072 5.381 -0.944 612 HG21 ILE 79 HG21 ILE 79 11.077 3.834 1.721 613 HG22 ILE 79 HG22 ILE 79 11.844 5.408 2.118 614 HG23 ILE 79 HG23 ILE 79 10.735 5.227 0.736 615 HD11 ILE 79 HD11 ILE 79 11.787 5.613 -1.971 616 HD12 ILE 79 HD12 ILE 79 11.376 6.767 -0.672 617 HD13 ILE 79 HD13 ILE 79 12.671 7.150 -1.797 618 H ALA 80 H ALA 80 12.888 1.349 1.358 619 HA ALA 80 HA ALA 80 12.241 1.586 4.257 620 HB1 ALA 80 HB1 ALA 80 10.755 -0.179 3.800 621 HB2 ALA 80 HB2 ALA 80 10.505 1.037 2.528 622 HB3 ALA 80 HB3 ALA 80 11.454 -0.423 2.172 623 H ALA 81 H ALA 81 14.617 0.109 2.225 624 HA ALA 81 HA ALA 81 15.074 -2.371 3.356 625 HB1 ALA 81 HB1 ALA 81 17.157 -0.371 2.354 626 HB2 ALA 81 HB2 ALA 81 17.332 -2.136 2.419 627 HB3 ALA 81 HB3 ALA 81 16.172 -1.434 1.316 628 HA PRO 82 HA PRO 82 17.431 -3.560 4.010 629 HB2 PRO 82 HB2 PRO 82 17.948 -5.191 6.118 630 HB3 PRO 82 HB3 PRO 82 19.032 -3.844 5.677 631 HG2 PRO 82 HG2 PRO 82 16.815 -3.832 7.727 632 HG3 PRO 82 HG3 PRO 82 18.527 -3.345 7.973 633 HD2 PRO 82 HD2 PRO 82 16.628 -1.498 7.444 634 HD3 PRO 82 HD3 PRO 82 18.242 -1.379 6.699 635 H ALA 83 H ALA 83 14.582 -2.937 5.715 636 HA ALA 83 HA ALA 83 13.406 -5.418 6.162 637 HB1 ALA 83 HB1 ALA 83 11.280 -4.164 6.007 638 HB2 ALA 83 HB2 ALA 83 12.494 -3.199 6.878 639 HB3 ALA 83 HB3 ALA 83 12.089 -2.854 5.171 640 H GLU 84 H GLU 84 11.838 -6.541 5.081 641 HA GLU 84 HA GLU 84 12.278 -7.015 2.243 642 HB2 GLU 84 HB2 GLU 84 10.572 -8.316 4.403 643 HB3 GLU 84 HB3 GLU 84 10.626 -8.892 2.741 644 HG2 GLU 84 HG2 GLU 84 13.068 -8.682 4.562 645 HG3 GLU 84 HG3 GLU 84 12.090 -10.125 4.344 646 H ILE 85 H ILE 85 11.289 -5.708 0.889 647 HA ILE 85 HA ILE 85 8.573 -4.640 1.473 648 HB ILE 85 HB ILE 85 11.037 -3.613 0.149 649 HG12 ILE 85 HG12 ILE 85 10.164 -1.522 0.938 650 HG13 ILE 85 HG13 ILE 85 8.584 -2.234 1.206 651 HG21 ILE 85 HG21 ILE 85 9.726 -3.764 -1.873 652 HG22 ILE 85 HG22 ILE 85 8.340 -2.976 -1.110 653 HG23 ILE 85 HG23 ILE 85 9.853 -2.072 -1.372 654 HD11 ILE 85 HD11 ILE 85 11.111 -2.928 2.791 655 HD12 ILE 85 HD12 ILE 85 9.748 -1.932 3.358 656 HD13 ILE 85 HD13 ILE 85 9.485 -3.606 3.093 657 H PHE 86 H PHE 86 6.953 -5.003 0.090 658 HA PHE 86 HA PHE 86 7.382 -6.628 -2.351 659 HB2 PHE 86 HB2 PHE 86 5.123 -7.148 -0.351 660 HB3 PHE 86 HB3 PHE 86 5.617 -8.137 -1.691 661 HD1 PHE 86 HD1 PHE 86 6.380 -7.165 1.792 662 HD2 PHE 86 HD2 PHE 86 7.422 -9.787 -1.452 663 HE1 PHE 86 HE1 PHE 86 7.665 -8.560 3.357 664 HE2 PHE 86 HE2 PHE 86 8.667 -11.223 0.099 665 HZ PHE 86 HZ PHE 86 8.796 -10.605 2.563 666 H LEU 87 H LEU 87 5.012 -6.850 -3.365 667 HA LEU 87 HA LEU 87 3.779 -4.131 -3.356 668 HB2 LEU 87 HB2 LEU 87 4.269 -5.812 -5.828 669 HB3 LEU 87 HB3 LEU 87 3.692 -4.162 -5.767 670 HG LEU 87 HG LEU 87 6.512 -5.030 -4.959 671 HD11 LEU 87 HD11 LEU 87 5.556 -3.842 -7.580 672 HD12 LEU 87 HD12 LEU 87 6.113 -5.506 -7.325 673 HD13 LEU 87 HD13 LEU 87 7.247 -4.147 -7.126 674 HD21 LEU 87 HD21 LEU 87 5.701 -2.249 -5.817 675 HD22 LEU 87 HD22 LEU 87 7.131 -2.771 -4.933 676 HD23 LEU 87 HD23 LEU 87 5.566 -2.760 -4.117 677 H LEU 88 H LEU 88 1.618 -4.308 -2.949 678 HA LEU 88 HA LEU 88 0.173 -6.782 -2.832 679 HB2 LEU 88 HB2 LEU 88 -0.223 -4.420 -1.714 680 HB3 LEU 88 HB3 LEU 88 -1.047 -4.015 -3.206 681 HG LEU 88 HG LEU 88 -1.903 -6.086 -1.125 682 HD11 LEU 88 HD11 LEU 88 -3.108 -3.424 -1.977 683 HD12 LEU 88 HD12 LEU 88 -2.100 -3.683 -0.538 684 HD13 LEU 88 HD13 LEU 88 -3.675 -4.458 -0.639 685 HD21 LEU 88 HD21 LEU 88 -2.938 -7.016 -3.007 686 HD22 LEU 88 HD22 LEU 88 -3.313 -5.425 -3.704 687 HD23 LEU 88 HD23 LEU 88 -4.180 -6.008 -2.278 688 H GLU 89 H GLU 89 1.110 -4.991 -5.516 689 HA GLU 89 HA GLU 89 0.633 -5.126 -7.733 690 HB2 GLU 89 HB2 GLU 89 0.407 -7.652 -6.946 691 HB3 GLU 89 HB3 GLU 89 -1.302 -7.408 -7.290 692 HG2 GLU 89 HG2 GLU 89 -0.801 -6.835 -9.612 693 HG3 GLU 89 HG3 GLU 89 0.932 -6.907 -9.295 694 H ASP 90 H ASP 90 -1.416 -5.254 -9.249 695 HA ASP 90 HA ASP 90 -2.982 -3.976 -10.148 696 HB2 ASP 90 HB2 ASP 90 -4.134 -5.732 -8.066 697 HB3 ASP 90 HB3 ASP 90 -5.226 -4.572 -8.766 698 H GLY 91 H GLY 91 -1.936 -2.552 -7.445 699 HA2 GLY 91 HA2 GLY 91 -2.065 -0.265 -6.919 700 HA3 GLY 91 HA3 GLY 91 -3.386 -0.073 -8.079 701 H ILE 92 H ILE 92 -5.478 -0.910 -7.499 702 HA ILE 92 HA ILE 92 -5.958 -1.290 -4.579 703 HB ILE 92 HB ILE 92 -6.444 1.089 -5.907 704 HG12 ILE 92 HG12 ILE 92 -6.322 0.926 -3.582 705 HG13 ILE 92 HG13 ILE 92 -7.814 1.729 -4.013 706 HG21 ILE 92 HG21 ILE 92 -9.197 -0.158 -5.735 707 HG22 ILE 92 HG22 ILE 92 -8.728 1.457 -6.317 708 HG23 ILE 92 HG23 ILE 92 -8.313 0.018 -7.242 709 HD11 ILE 92 HD11 ILE 92 -9.109 -0.359 -3.521 710 HD12 ILE 92 HD12 ILE 92 -7.586 -1.168 -3.060 711 HD13 ILE 92 HD13 ILE 92 -8.174 0.189 -2.128 712 H ASP 93 H ASP 93 -6.693 -2.147 -7.882 713 HA ASP 93 HA ASP 93 -9.175 -3.426 -7.476 714 HB2 ASP 93 HB2 ASP 93 -8.416 -2.790 -9.638 715 HB3 ASP 93 HB3 ASP 93 -6.967 -3.752 -9.536 716 H GLY 94 H GLY 94 -5.878 -4.483 -6.682 717 HA2 GLY 94 HA2 GLY 94 -6.323 -7.246 -6.475 718 HA3 GLY 94 HA3 GLY 94 -5.109 -6.317 -5.578 719 H TRP 95 H TRP 95 -6.742 -4.636 -3.983 720 HA TRP 95 HA TRP 95 -7.422 -6.359 -1.819 721 HB2 TRP 95 HB2 TRP 95 -7.067 -4.053 -1.407 722 HB3 TRP 95 HB3 TRP 95 -8.439 -3.588 -2.405 723 HD1 TRP 95 HD1 TRP 95 -10.319 -2.820 -0.977 724 HE1 TRP 95 HE1 TRP 95 -11.351 -3.395 1.339 725 HE3 TRP 95 HE3 TRP 95 -7.479 -6.892 0.324 726 HZ2 TRP 95 HZ2 TRP 95 -10.801 -5.073 3.539 727 HZ3 TRP 95 HZ3 TRP 95 -7.676 -7.868 2.566 728 HH2 TRP 95 HH2 TRP 95 -9.327 -6.970 4.203 729 H LYS 96 H LYS 96 -9.451 -4.717 -4.306 730 HA LYS 96 HA LYS 96 -11.928 -5.848 -3.471 731 HB2 LYS 96 HB2 LYS 96 -11.470 -3.797 -5.051 732 HB3 LYS 96 HB3 LYS 96 -11.463 -5.010 -6.349 733 HG2 LYS 96 HG2 LYS 96 -13.727 -5.811 -5.483 734 HG3 LYS 96 HG3 LYS 96 -13.664 -4.502 -4.296 735 HD2 LYS 96 HD2 LYS 96 -13.478 -2.925 -6.349 736 HD3 LYS 96 HD3 LYS 96 -13.941 -4.339 -7.312 737 HE2 LYS 96 HE2 LYS 96 -16.001 -4.615 -6.010 738 HE3 LYS 96 HE3 LYS 96 -15.486 -3.372 -4.862 739 HZ1 LYS 96 HZ1 LYS 96 -16.162 -2.881 -7.693 740 HZ2 LYS 96 HZ2 LYS 96 -15.629 -1.744 -6.638 741 HZ3 LYS 96 HZ3 LYS 96 -17.079 -2.470 -6.380 742 H LYS 97 H LYS 97 -9.432 -7.215 -5.594 743 HA LYS 97 HA LYS 97 -10.918 -9.097 -6.996 744 HB2 LYS 97 HB2 LYS 97 -8.355 -8.440 -6.956 745 HB3 LYS 97 HB3 LYS 97 -8.210 -9.774 -5.819 746 HG2 LYS 97 HG2 LYS 97 -9.156 -9.867 -8.714 747 HG3 LYS 97 HG3 LYS 97 -7.637 -10.467 -8.046 748 HD2 LYS 97 HD2 LYS 97 -9.158 -12.034 -6.582 749 HD3 LYS 97 HD3 LYS 97 -10.430 -11.587 -7.743 750 HE2 LYS 97 HE2 LYS 97 -9.466 -13.657 -8.437 751 HE3 LYS 97 HE3 LYS 97 -9.003 -12.386 -9.589 752 HZ1 LYS 97 HZ1 LYS 97 -6.828 -12.339 -8.665 753 HZ2 LYS 97 HZ2 LYS 97 -7.181 -13.924 -8.857 754 HZ3 LYS 97 HZ3 LYS 97 -7.256 -13.251 -7.371 755 H ALA 98 H ALA 98 -9.699 -9.296 -3.628 756 HA ALA 98 HA ALA 98 -10.574 -12.022 -3.198 757 HB1 ALA 98 HB1 ALA 98 -8.763 -10.988 -1.888 758 HB2 ALA 98 HB2 ALA 98 -9.891 -9.780 -1.246 759 HB3 ALA 98 HB3 ALA 98 -10.086 -11.492 -0.818 760 H GLY 99 H GLY 99 -12.414 -9.262 -3.706 761 HA2 GLY 99 HA2 GLY 99 -14.601 -8.814 -3.569 762 HA3 GLY 99 HA3 GLY 99 -14.894 -10.401 -2.850 763 H LEU 100 H LEU 100 -12.709 -7.762 -1.764 764 HA LEU 100 HA LEU 100 -14.219 -7.574 0.786 765 HB2 LEU 100 HB2 LEU 100 -11.263 -7.158 0.251 766 HB3 LEU 100 HB3 LEU 100 -12.072 -7.018 1.814 767 HG LEU 100 HG LEU 100 -11.862 -9.596 0.184 768 HD11 LEU 100 HD11 LEU 100 -10.356 -8.747 2.673 769 HD12 LEU 100 HD12 LEU 100 -9.683 -8.794 1.037 770 HD13 LEU 100 HD13 LEU 100 -10.197 -10.305 1.817 771 HD21 LEU 100 HD21 LEU 100 -12.862 -9.090 3.020 772 HD22 LEU 100 HD22 LEU 100 -12.562 -10.695 2.303 773 HD23 LEU 100 HD23 LEU 100 -13.820 -9.671 1.614 774 HA PRO 101 HA PRO 101 -14.566 -3.326 -0.631 775 HB2 PRO 101 HB2 PRO 101 -16.038 -2.257 1.326 776 HB3 PRO 101 HB3 PRO 101 -16.717 -3.548 0.286 777 HG2 PRO 101 HG2 PRO 101 -15.526 -3.828 3.070 778 HG3 PRO 101 HG3 PRO 101 -17.056 -4.513 2.442 779 HD2 PRO 101 HD2 PRO 101 -14.630 -5.885 2.516 780 HD3 PRO 101 HD3 PRO 101 -15.932 -6.234 1.338 781 H VAL 102 H VAL 102 -13.613 -1.268 -0.109 782 HA VAL 102 HA VAL 102 -11.307 -1.260 1.655 783 HB VAL 102 HB VAL 102 -11.325 1.193 0.784 784 HG11 VAL 102 HG11 VAL 102 -10.613 0.643 -1.478 785 HG12 VAL 102 HG12 VAL 102 -9.961 -0.542 -0.326 786 HG13 VAL 102 HG13 VAL 102 -11.341 -0.956 -1.364 787 HG21 VAL 102 HG21 VAL 102 -12.873 1.840 -0.898 788 HG22 VAL 102 HG22 VAL 102 -13.405 0.202 -1.193 789 HG23 VAL 102 HG23 VAL 102 -13.891 1.025 0.291 790 H ALA 103 H ALA 103 -11.081 0.868 3.080 791 HA ALA 103 HA ALA 103 -13.219 0.848 5.041 792 HB1 ALA 103 HB1 ALA 103 -10.760 0.985 5.575 793 HB2 ALA 103 HB2 ALA 103 -10.732 2.608 4.852 794 HB3 ALA 103 HB3 ALA 103 -11.721 2.297 6.290 795 H VAL 104 H VAL 104 -14.671 1.613 3.031 796 HA VAL 104 HA VAL 104 -14.595 4.468 2.427 797 HB VAL 104 HB VAL 104 -17.021 3.837 1.553 798 HG11 VAL 104 HG11 VAL 104 -15.847 2.628 -0.463 799 HG12 VAL 104 HG12 VAL 104 -15.599 4.331 -0.090 800 HG13 VAL 104 HG13 VAL 104 -14.377 3.157 0.402 801 HG21 VAL 104 HG21 VAL 104 -15.943 1.014 1.610 802 HG22 VAL 104 HG22 VAL 104 -17.149 1.640 2.765 803 HG23 VAL 104 HG23 VAL 104 -17.507 1.598 1.030 804 H ASN 105 H ASN 105 -16.601 5.811 2.848 805 HA ASN 105 HA ASN 105 -17.732 5.338 5.565 806 HB2 ASN 105 HB2 ASN 105 -16.579 7.715 4.180 807 HB3 ASN 105 HB3 ASN 105 -18.127 8.009 4.954 808 HD21 ASN 105 HD21 ASN 105 -17.934 8.738 7.021 809 HD22 ASN 105 HD22 ASN 105 -16.654 8.312 8.121 810 H LYS 106 H LYS 106 -19.992 6.215 5.831 811 HA LYS 106 HA LYS 106 -21.509 6.266 3.285 812 HB2 LYS 106 HB2 LYS 106 -21.455 3.904 4.132 813 HB3 LYS 106 HB3 LYS 106 -22.310 4.439 5.595 814 HG2 LYS 106 HG2 LYS 106 -24.214 5.208 4.238 815 HG3 LYS 106 HG3 LYS 106 -23.292 4.923 2.753 816 HD2 LYS 106 HD2 LYS 106 -23.262 2.489 3.255 817 HD3 LYS 106 HD3 LYS 106 -24.321 2.791 4.667 818 HE2 LYS 106 HE2 LYS 106 -26.089 3.592 3.289 819 HE3 LYS 106 HE3 LYS 106 -25.010 3.853 1.921 820 HZ1 LYS 106 HZ1 LYS 106 -26.381 2.024 1.548 821 HZ2 LYS 106 HZ2 LYS 106 -25.893 1.213 2.878 822 HZ3 LYS 106 HZ3 LYS 106 -24.836 1.487 1.611 823 H SER 107 H SER 107 -22.988 7.814 3.246 824 HA SER 107 HA SER 107 -24.320 8.851 5.632 825 HB2 SER 107 HB2 SER 107 -22.316 10.258 5.406 826 HB3 SER 107 HB3 SER 107 -22.630 10.477 3.678 827 HG SER 107 HG SER 107 -23.986 11.560 5.922 828 H GLN 108 H GLN 108 -26.311 9.899 4.891 829 HA GLN 108 HA GLN 108 -28.276 9.662 3.807 830 HB2 GLN 108 HB2 GLN 108 -27.172 11.740 2.828 831 HB3 GLN 108 HB3 GLN 108 -26.769 10.755 1.411 832 HG2 GLN 108 HG2 GLN 108 -29.272 10.191 1.242 833 HG3 GLN 108 HG3 GLN 108 -29.542 11.411 2.489 834 HE21 GLN 108 HE21 GLN 108 -28.882 13.670 1.971 835 HE22 GLN 108 HE22 GLN 108 -28.851 14.171 0.275 Start of MODEL 15 1 H ALA 1 H ALA 1 12.422 -10.784 -3.834 2 HA ALA 1 HA ALA 1 12.461 -8.306 -2.218 3 HB1 ALA 1 HB1 ALA 1 14.744 -8.543 -3.031 4 HB2 ALA 1 HB2 ALA 1 14.166 -8.873 -4.688 5 HB3 ALA 1 HB3 ALA 1 13.937 -7.278 -3.965 6 H LEU 2 H LEU 2 10.971 -6.798 -2.980 7 HA LEU 2 HA LEU 2 9.163 -6.030 -4.078 8 HB2 LEU 2 HB2 LEU 2 10.806 -6.769 -6.539 9 HB3 LEU 2 HB3 LEU 2 9.408 -5.706 -6.536 10 HG LEU 2 HG LEU 2 12.101 -5.140 -5.260 11 HD11 LEU 2 HD11 LEU 2 10.583 -3.890 -7.591 12 HD12 LEU 2 HD12 LEU 2 11.995 -4.928 -7.729 13 HD13 LEU 2 HD13 LEU 2 12.154 -3.344 -6.963 14 HD21 LEU 2 HD21 LEU 2 10.791 -3.975 -3.792 15 HD22 LEU 2 HD22 LEU 2 9.404 -3.844 -4.920 16 HD23 LEU 2 HD23 LEU 2 10.809 -2.793 -5.102 17 H THR 3 H THR 3 8.917 -8.834 -3.318 18 HA THR 3 HA THR 3 7.954 -10.429 -5.431 19 HB THR 3 HB THR 3 7.125 -10.614 -2.558 20 HG1 THR 3 HG1 THR 3 9.556 -11.658 -3.628 21 HG21 THR 3 HG21 THR 3 6.028 -12.177 -3.941 22 HG22 THR 3 HG22 THR 3 7.233 -13.040 -2.971 23 HG23 THR 3 HG23 THR 3 7.560 -12.712 -4.690 24 H THR 4 H THR 4 6.040 -10.436 -6.480 25 HA THR 4 HA THR 4 3.941 -8.525 -5.752 26 HB THR 4 HB THR 4 2.986 -9.537 -7.956 27 HG1 THR 4 HG1 THR 4 4.388 -10.505 -9.238 28 HG21 THR 4 HG21 THR 4 3.851 -7.281 -7.862 29 HG22 THR 4 HG22 THR 4 4.529 -8.075 -9.285 30 HG23 THR 4 HG23 THR 4 5.539 -7.859 -7.846 31 H ILE 5 H ILE 5 2.845 -9.257 -4.076 32 HA ILE 5 HA ILE 5 2.183 -12.129 -3.835 33 HB ILE 5 HB ILE 5 3.433 -11.328 -2.066 34 HG12 ILE 5 HG12 ILE 5 0.658 -11.234 -0.871 35 HG13 ILE 5 HG13 ILE 5 1.306 -12.709 -1.611 36 HG21 ILE 5 HG21 ILE 5 3.309 -8.957 -2.242 37 HG22 ILE 5 HG22 ILE 5 1.577 -8.941 -1.820 38 HG23 ILE 5 HG23 ILE 5 2.809 -9.371 -0.612 39 HD11 ILE 5 HD11 ILE 5 1.793 -12.702 0.783 40 HD12 ILE 5 HD12 ILE 5 3.274 -12.637 -0.174 41 HD13 ILE 5 HD13 ILE 5 2.679 -11.160 0.606 42 H SER 6 H SER 6 0.027 -12.771 -3.561 43 HA SER 6 HA SER 6 -1.836 -11.180 -5.050 44 HB2 SER 6 HB2 SER 6 -3.462 -12.985 -4.411 45 HB3 SER 6 HB3 SER 6 -1.980 -13.608 -5.135 46 HG SER 6 HG SER 6 -1.269 -14.241 -3.159 47 HA PRO 7 HA PRO 7 -3.783 -8.825 -1.879 48 HB2 PRO 7 HB2 PRO 7 -6.427 -8.837 -2.677 49 HB3 PRO 7 HB3 PRO 7 -5.133 -7.916 -3.483 50 HG2 PRO 7 HG2 PRO 7 -6.219 -10.651 -4.221 51 HG3 PRO 7 HG3 PRO 7 -5.974 -9.243 -5.306 52 HD2 PRO 7 HD2 PRO 7 -4.125 -11.132 -5.216 53 HD3 PRO 7 HD3 PRO 7 -3.625 -9.421 -5.196 54 H HIS 8 H HIS 8 -4.933 -12.017 -2.530 55 HA HIS 8 HA HIS 8 -6.596 -12.523 -0.259 56 HB2 HIS 8 HB2 HIS 8 -6.767 -13.984 -2.164 57 HB3 HIS 8 HB3 HIS 8 -5.031 -14.288 -2.172 58 HD1 HIS 8 HD1 HIS 8 -6.518 -14.729 1.246 59 HD2 HIS 8 HD2 HIS 8 -5.572 -16.964 -2.184 60 HE1 HIS 8 HE1 HIS 8 -6.433 -17.165 1.977 61 H ASP 9 H ASP 9 -3.168 -13.353 -0.918 62 HA ASP 9 HA ASP 9 -2.658 -14.510 1.686 63 HB2 ASP 9 HB2 ASP 9 -0.890 -13.463 -0.562 64 HB3 ASP 9 HB3 ASP 9 -0.201 -13.926 0.990 65 H ALA 10 H ALA 10 -2.037 -11.397 0.139 66 HA ALA 10 HA ALA 10 -0.834 -10.041 2.253 67 HB1 ALA 10 HB1 ALA 10 -0.868 -9.233 -0.043 68 HB2 ALA 10 HB2 ALA 10 -2.641 -9.145 0.011 69 HB3 ALA 10 HB3 ALA 10 -1.650 -8.026 1.010 70 H GLN 11 H GLN 11 -4.323 -10.417 1.721 71 HA GLN 11 HA GLN 11 -5.161 -8.585 3.641 72 HB2 GLN 11 HB2 GLN 11 -6.608 -9.908 2.071 73 HB3 GLN 11 HB3 GLN 11 -6.392 -11.335 3.092 74 HG2 GLN 11 HG2 GLN 11 -7.231 -8.990 4.631 75 HG3 GLN 11 HG3 GLN 11 -8.341 -9.309 3.315 76 HE21 GLN 11 HE21 GLN 11 -6.750 -10.881 6.115 77 HE22 GLN 11 HE22 GLN 11 -8.054 -12.013 6.428 78 H GLU 12 H GLU 12 -3.516 -11.615 4.167 79 HA GLU 12 HA GLU 12 -4.267 -11.863 6.965 80 HB2 GLU 12 HB2 GLU 12 -3.913 -13.779 5.233 81 HB3 GLU 12 HB3 GLU 12 -2.175 -13.488 5.472 82 HG2 GLU 12 HG2 GLU 12 -2.620 -13.582 7.949 83 HG3 GLU 12 HG3 GLU 12 -4.277 -14.059 7.568 84 H LEU 13 H LEU 13 -1.027 -11.653 5.307 85 HA LEU 13 HA LEU 13 0.417 -11.141 7.574 86 HB2 LEU 13 HB2 LEU 13 2.150 -10.234 6.014 87 HB3 LEU 13 HB3 LEU 13 1.511 -11.830 5.697 88 HG LEU 13 HG LEU 13 -0.143 -10.155 4.187 89 HD11 LEU 13 HD11 LEU 13 1.221 -8.289 4.264 90 HD12 LEU 13 HD12 LEU 13 1.432 -9.004 2.671 91 HD13 LEU 13 HD13 LEU 13 2.708 -9.227 3.897 92 HD21 LEU 13 HD21 LEU 13 0.862 -11.211 2.266 93 HD22 LEU 13 HD22 LEU 13 0.551 -12.386 3.546 94 HD23 LEU 13 HD23 LEU 13 2.213 -11.802 3.264 95 H ILE 14 H ILE 14 -1.509 -8.921 5.808 96 HA ILE 14 HA ILE 14 -0.479 -6.447 6.682 97 HB ILE 14 HB ILE 14 -2.992 -7.637 5.540 98 HG12 ILE 14 HG12 ILE 14 -1.031 -5.415 4.808 99 HG13 ILE 14 HG13 ILE 14 -0.880 -7.077 4.313 100 HG21 ILE 14 HG21 ILE 14 -4.076 -6.325 7.045 101 HG22 ILE 14 HG22 ILE 14 -3.018 -4.927 6.762 102 HG23 ILE 14 HG23 ILE 14 -4.167 -5.465 5.484 103 HD11 ILE 14 HD11 ILE 14 -3.010 -5.144 3.458 104 HD12 ILE 14 HD12 ILE 14 -1.652 -5.833 2.517 105 HD13 ILE 14 HD13 ILE 14 -2.986 -6.888 3.018 106 H ALA 15 H ALA 15 -3.113 -8.441 8.105 107 HA ALA 15 HA ALA 15 -3.265 -6.874 10.513 108 HB1 ALA 15 HB1 ALA 15 -5.166 -8.149 9.582 109 HB2 ALA 15 HB2 ALA 15 -4.290 -9.677 9.880 110 HB3 ALA 15 HB3 ALA 15 -4.808 -8.655 11.237 111 H ARG 16 H ARG 16 -0.672 -8.598 9.610 112 HA ARG 16 HA ARG 16 -0.120 -9.739 12.309 113 HB2 ARG 16 HB2 ARG 16 1.317 -10.470 9.739 114 HB3 ARG 16 HB3 ARG 16 1.426 -11.241 11.313 115 HG2 ARG 16 HG2 ARG 16 -1.030 -11.900 11.072 116 HG3 ARG 16 HG3 ARG 16 -0.963 -11.276 9.427 117 HD2 ARG 16 HD2 ARG 16 0.821 -12.834 8.818 118 HD3 ARG 16 HD3 ARG 16 1.071 -13.309 10.487 119 HE ARG 16 HE ARG 16 -0.795 -14.426 8.615 120 HH11 ARG 16 HH11 ARG 16 -0.221 -14.017 12.094 121 HH12 ARG 16 HH12 ARG 16 -1.175 -15.403 12.525 122 HH21 ARG 16 HH21 ARG 16 -1.811 -16.243 9.144 123 HH22 ARG 16 HH22 ARG 16 -2.141 -16.723 10.790 124 H GLY 17 H GLY 17 0.868 -7.346 9.943 125 HA2 GLY 17 HA2 GLY 17 2.199 -5.635 11.425 126 HA3 GLY 17 HA3 GLY 17 3.431 -6.890 11.373 127 H ALA 18 H ALA 18 2.029 -7.182 8.350 128 HA ALA 18 HA ALA 18 4.225 -5.844 6.992 129 HB1 ALA 18 HB1 ALA 18 3.177 -7.861 6.094 130 HB2 ALA 18 HB2 ALA 18 1.584 -7.061 6.081 131 HB3 ALA 18 HB3 ALA 18 2.853 -6.497 4.998 132 H LYS 19 H LYS 19 4.181 -3.527 6.702 133 HA LYS 19 HA LYS 19 1.482 -2.201 6.794 134 HB2 LYS 19 HB2 LYS 19 4.256 -1.280 7.461 135 HB3 LYS 19 HB3 LYS 19 3.060 -0.131 6.968 136 HG2 LYS 19 HG2 LYS 19 3.294 -0.288 9.439 137 HG3 LYS 19 HG3 LYS 19 1.662 -0.448 8.752 138 HD2 LYS 19 HD2 LYS 19 2.137 -3.035 8.948 139 HD3 LYS 19 HD3 LYS 19 3.250 -2.502 10.221 140 HE2 LYS 19 HE2 LYS 19 0.249 -2.019 9.886 141 HE3 LYS 19 HE3 LYS 19 1.013 -3.055 11.091 142 HZ1 LYS 19 HZ1 LYS 19 1.989 -1.034 12.062 143 HZ2 LYS 19 HZ2 LYS 19 0.361 -1.043 12.067 144 HZ3 LYS 19 HZ3 LYS 19 1.145 -0.097 10.982 145 H LEU 20 H LEU 20 0.658 -1.441 5.062 146 HA LEU 20 HA LEU 20 2.211 -1.095 2.617 147 HB2 LEU 20 HB2 LEU 20 0.205 -2.146 2.394 148 HB3 LEU 20 HB3 LEU 20 -0.732 -0.991 3.370 149 HG LEU 20 HG LEU 20 -0.332 0.724 1.597 150 HD11 LEU 20 HD11 LEU 20 1.688 -0.330 0.526 151 HD12 LEU 20 HD12 LEU 20 0.390 0.093 -0.573 152 HD13 LEU 20 HD13 LEU 20 0.629 -1.618 -0.072 153 HD21 LEU 20 HD21 LEU 20 -2.067 -0.092 0.165 154 HD22 LEU 20 HD22 LEU 20 -2.371 -0.804 1.774 155 HD23 LEU 20 HD23 LEU 20 -1.666 -1.792 0.518 156 H ILE 21 H ILE 21 2.829 0.743 1.712 157 HA ILE 21 HA ILE 21 2.209 3.334 3.059 158 HB ILE 21 HB ILE 21 4.474 2.550 1.153 159 HG12 ILE 21 HG12 ILE 21 4.994 1.465 3.206 160 HG13 ILE 21 HG13 ILE 21 5.986 2.910 3.103 161 HG21 ILE 21 HG21 ILE 21 5.442 4.747 1.659 162 HG22 ILE 21 HG22 ILE 21 3.797 4.971 1.035 163 HG23 ILE 21 HG23 ILE 21 4.113 5.110 2.757 164 HD11 ILE 21 HD11 ILE 21 4.033 4.012 4.549 165 HD12 ILE 21 HD12 ILE 21 3.646 2.327 4.914 166 HD13 ILE 21 HD13 ILE 21 5.249 2.991 5.310 167 H ASP 22 H ASP 22 0.620 4.357 1.946 168 HA ASP 22 HA ASP 22 -0.046 3.533 -0.804 169 HB2 ASP 22 HB2 ASP 22 -1.493 4.711 1.435 170 HB3 ASP 22 HB3 ASP 22 -1.638 5.767 0.036 171 H ILE 23 H ILE 23 1.453 4.293 -2.170 172 HA ILE 23 HA ILE 23 2.479 7.086 -1.947 173 HB ILE 23 HB ILE 23 4.244 6.292 -3.449 174 HG12 ILE 23 HG12 ILE 23 3.972 3.430 -3.425 175 HG13 ILE 23 HG13 ILE 23 2.414 4.053 -3.955 176 HG21 ILE 23 HG21 ILE 23 4.583 5.931 -1.032 177 HG22 ILE 23 HG22 ILE 23 3.905 4.288 -1.186 178 HG23 ILE 23 HG23 ILE 23 5.402 4.704 -2.021 179 HD11 ILE 23 HD11 ILE 23 4.044 3.572 -5.776 180 HD12 ILE 23 HD12 ILE 23 3.304 5.167 -5.784 181 HD13 ILE 23 HD13 ILE 23 4.988 4.968 -5.181 182 H ARG 24 H ARG 24 -0.190 6.650 -2.889 183 HA ARG 24 HA ARG 24 -0.200 7.025 -5.802 184 HB2 ARG 24 HB2 ARG 24 -2.798 7.229 -5.245 185 HB3 ARG 24 HB3 ARG 24 -1.983 5.685 -5.298 186 HG2 ARG 24 HG2 ARG 24 -1.784 5.528 -2.948 187 HG3 ARG 24 HG3 ARG 24 -2.327 7.192 -2.702 188 HD2 ARG 24 HD2 ARG 24 -4.562 6.450 -3.828 189 HD3 ARG 24 HD3 ARG 24 -3.990 4.798 -3.522 190 HE ARG 24 HE ARG 24 -3.812 6.437 -1.164 191 HH11 ARG 24 HH11 ARG 24 -6.188 4.402 -2.936 192 HH12 ARG 24 HH12 ARG 24 -6.933 3.879 -1.454 193 HH21 ARG 24 HH21 ARG 24 -5.090 5.862 0.679 194 HH22 ARG 24 HH22 ARG 24 -5.004 4.266 0.416 195 H ASP 25 H ASP 25 -2.084 8.848 -3.407 196 HA ASP 25 HA ASP 25 -1.183 11.467 -4.012 197 HB2 ASP 25 HB2 ASP 25 -2.613 10.779 -6.082 198 HB3 ASP 25 HB3 ASP 25 -3.981 10.689 -4.970 199 H ALA 26 H ALA 26 -3.341 12.845 -2.923 200 HA ALA 26 HA ALA 26 -3.981 11.413 -0.360 201 HB1 ALA 26 HB1 ALA 26 -3.750 14.391 -0.978 202 HB2 ALA 26 HB2 ALA 26 -4.138 13.672 0.594 203 HB3 ALA 26 HB3 ALA 26 -2.538 13.406 -0.117 204 H ASP 27 H ASP 27 -5.416 12.873 -3.250 205 HA ASP 27 HA ASP 27 -7.971 13.292 -1.919 206 HB2 ASP 27 HB2 ASP 27 -6.762 14.008 -4.471 207 HB3 ASP 27 HB3 ASP 27 -8.340 13.290 -4.731 208 H GLU 28 H GLU 28 -6.485 10.476 -3.318 209 HA GLU 28 HA GLU 28 -8.951 9.168 -4.133 210 HB2 GLU 28 HB2 GLU 28 -6.396 7.815 -3.133 211 HB3 GLU 28 HB3 GLU 28 -7.704 7.060 -4.017 212 HG2 GLU 28 HG2 GLU 28 -5.845 9.233 -5.055 213 HG3 GLU 28 HG3 GLU 28 -5.811 7.518 -5.484 214 H TYR 29 H TYR 29 -7.064 9.268 -1.156 215 HA TYR 29 HA TYR 29 -8.498 7.510 0.444 216 HB2 TYR 29 HB2 TYR 29 -6.285 8.288 0.917 217 HB3 TYR 29 HB3 TYR 29 -6.806 9.953 1.031 218 HD1 TYR 29 HD1 TYR 29 -8.469 6.969 2.658 219 HD2 TYR 29 HD2 TYR 29 -5.979 10.468 3.198 220 HE1 TYR 29 HE1 TYR 29 -8.701 6.767 5.099 221 HE2 TYR 29 HE2 TYR 29 -6.174 10.227 5.637 222 HH TYR 29 HH TYR 29 -8.402 7.960 7.194 223 H LEU 30 H LEU 30 -9.577 10.518 -0.829 224 HA LEU 30 HA LEU 30 -11.226 11.406 1.358 225 HB2 LEU 30 HB2 LEU 30 -10.229 12.691 -0.651 226 HB3 LEU 30 HB3 LEU 30 -11.563 12.035 -1.601 227 HG LEU 30 HG LEU 30 -11.785 13.780 0.882 228 HD11 LEU 30 HD11 LEU 30 -10.839 14.932 -1.100 229 HD12 LEU 30 HD12 LEU 30 -12.490 15.502 -0.790 230 HD13 LEU 30 HD13 LEU 30 -12.177 14.343 -2.087 231 HD21 LEU 30 HD21 LEU 30 -14.180 14.105 0.110 232 HD22 LEU 30 HD22 LEU 30 -13.857 12.497 0.718 233 HD23 LEU 30 HD23 LEU 30 -13.934 12.771 -1.040 234 H ARG 31 H ARG 31 -11.901 9.739 -1.799 235 HA ARG 31 HA ARG 31 -14.635 9.116 -0.905 236 HB2 ARG 31 HB2 ARG 31 -13.061 8.707 -3.477 237 HB3 ARG 31 HB3 ARG 31 -14.628 7.959 -3.261 238 HG2 ARG 31 HG2 ARG 31 -14.213 10.974 -3.049 239 HG3 ARG 31 HG3 ARG 31 -14.627 10.110 -4.529 240 HD2 ARG 31 HD2 ARG 31 -16.730 10.750 -3.822 241 HD3 ARG 31 HD3 ARG 31 -16.614 9.110 -3.224 242 HE ARG 31 HE ARG 31 -16.693 9.879 -1.045 243 HH11 ARG 31 HH11 ARG 31 -16.271 12.718 -3.177 244 HH12 ARG 31 HH12 ARG 31 -16.526 13.843 -1.876 245 HH21 ARG 31 HH21 ARG 31 -17.065 11.261 0.528 246 HH22 ARG 31 HH22 ARG 31 -17.174 12.992 0.309 247 H GLU 32 H GLU 32 -11.605 7.298 -1.201 248 HA GLU 32 HA GLU 32 -12.991 4.932 -0.070 249 HB2 GLU 32 HB2 GLU 32 -11.182 4.927 -2.563 250 HB3 GLU 32 HB3 GLU 32 -11.701 3.479 -1.700 251 HG2 GLU 32 HG2 GLU 32 -14.114 4.201 -2.159 252 HG3 GLU 32 HG3 GLU 32 -13.475 5.436 -3.225 253 H HIS 33 H HIS 33 -10.746 3.242 0.013 254 HA HIS 33 HA HIS 33 -8.479 4.725 1.054 255 HB2 HIS 33 HB2 HIS 33 -10.120 4.584 2.991 256 HB3 HIS 33 HB3 HIS 33 -9.896 2.835 2.941 257 HD1 HIS 33 HD1 HIS 33 -9.134 4.329 5.566 258 HD2 HIS 33 HD2 HIS 33 -6.461 3.810 2.332 259 HE1 HIS 33 HE1 HIS 33 -6.781 4.404 6.523 260 H ILE 34 H ILE 34 -8.166 1.709 2.430 261 HA ILE 34 HA ILE 34 -8.019 -0.074 0.273 262 HB ILE 34 HB ILE 34 -5.987 1.930 0.214 263 HG12 ILE 34 HG12 ILE 34 -6.494 -0.495 -1.279 264 HG13 ILE 34 HG13 ILE 34 -6.034 1.120 -1.774 265 HG21 ILE 34 HG21 ILE 34 -3.943 1.151 0.933 266 HG22 ILE 34 HG22 ILE 34 -5.081 1.117 2.297 267 HG23 ILE 34 HG23 ILE 34 -4.578 -0.382 1.515 268 HD11 ILE 34 HD11 ILE 34 -4.096 -1.047 -0.868 269 HD12 ILE 34 HD12 ILE 34 -4.443 -0.563 -2.522 270 HD13 ILE 34 HD13 ILE 34 -3.669 0.600 -1.424 271 HA PRO 35 HA PRO 35 -7.055 -2.858 3.817 272 HB2 PRO 35 HB2 PRO 35 -5.309 -4.685 2.839 273 HB3 PRO 35 HB3 PRO 35 -7.036 -4.620 2.491 274 HG2 PRO 35 HG2 PRO 35 -4.782 -3.845 0.643 275 HG3 PRO 35 HG3 PRO 35 -6.301 -4.477 0.247 276 HD2 PRO 35 HD2 PRO 35 -5.676 -1.845 0.154 277 HD3 PRO 35 HD3 PRO 35 -7.348 -2.475 0.160 278 H GLU 36 H GLU 36 -6.185 -1.613 5.210 279 HA GLU 36 HA GLU 36 -4.983 -0.399 6.455 280 HB2 GLU 36 HB2 GLU 36 -4.841 -3.011 6.694 281 HB3 GLU 36 HB3 GLU 36 -3.151 -2.759 6.316 282 HG2 GLU 36 HG2 GLU 36 -3.541 -2.807 8.758 283 HG3 GLU 36 HG3 GLU 36 -3.048 -1.171 8.277 284 H ALA 37 H ALA 37 -4.254 1.371 5.044 285 HA ALA 37 HA ALA 37 -1.282 1.347 4.772 286 HB1 ALA 37 HB1 ALA 37 -2.447 1.283 2.595 287 HB2 ALA 37 HB2 ALA 37 -3.284 2.798 3.008 288 HB3 ALA 37 HB3 ALA 37 -1.516 2.755 2.817 289 H ASP 38 H ASP 38 -0.572 3.747 4.464 290 HA ASP 38 HA ASP 38 -1.951 5.677 6.196 291 HB2 ASP 38 HB2 ASP 38 -0.370 4.288 7.582 292 HB3 ASP 38 HB3 ASP 38 0.960 4.973 6.652 293 H LEU 39 H LEU 39 -2.161 7.163 4.766 294 HA LEU 39 HA LEU 39 -1.151 7.618 2.317 295 HB2 LEU 39 HB2 LEU 39 -3.041 8.822 3.263 296 HB3 LEU 39 HB3 LEU 39 -2.008 9.617 4.444 297 HG LEU 39 HG LEU 39 -0.877 10.889 2.647 298 HD11 LEU 39 HD11 LEU 39 -1.794 10.858 0.361 299 HD12 LEU 39 HD12 LEU 39 -2.903 9.539 0.809 300 HD13 LEU 39 HD13 LEU 39 -1.150 9.270 0.796 301 HD21 LEU 39 HD21 LEU 39 -3.900 11.138 2.423 302 HD22 LEU 39 HD22 LEU 39 -2.681 12.399 2.157 303 HD23 LEU 39 HD23 LEU 39 -2.939 11.757 3.782 304 H ALA 40 H ALA 40 0.819 7.928 1.446 305 HA ALA 40 HA ALA 40 2.656 9.951 2.416 306 HB1 ALA 40 HB1 ALA 40 3.514 8.336 3.876 307 HB2 ALA 40 HB2 ALA 40 3.284 7.033 2.692 308 HB3 ALA 40 HB3 ALA 40 4.562 8.251 2.461 309 HA PRO 41 HA PRO 41 2.232 9.200 -2.155 310 HB2 PRO 41 HB2 PRO 41 2.415 11.873 -2.888 311 HB3 PRO 41 HB3 PRO 41 0.892 11.030 -2.486 312 HG2 PRO 41 HG2 PRO 41 2.607 12.771 -0.707 313 HG3 PRO 41 HG3 PRO 41 0.827 12.786 -0.899 314 HD2 PRO 41 HD2 PRO 41 1.966 11.524 1.188 315 HD3 PRO 41 HD3 PRO 41 0.567 10.815 0.352 316 H LEU 42 H LEU 42 3.840 9.883 -3.896 317 HA LEU 42 HA LEU 42 6.437 9.193 -3.206 318 HB2 LEU 42 HB2 LEU 42 5.532 9.182 -5.494 319 HB3 LEU 42 HB3 LEU 42 5.508 10.946 -5.514 320 HG LEU 42 HG LEU 42 7.978 11.008 -5.361 321 HD11 LEU 42 HD11 LEU 42 8.467 8.909 -4.166 322 HD12 LEU 42 HD12 LEU 42 9.298 8.916 -5.716 323 HD13 LEU 42 HD13 LEU 42 7.811 7.958 -5.512 324 HD21 LEU 42 HD21 LEU 42 6.917 11.013 -7.550 325 HD22 LEU 42 HD22 LEU 42 6.895 9.233 -7.560 326 HD23 LEU 42 HD23 LEU 42 8.450 10.119 -7.614 327 H SER 43 H SER 43 5.063 12.524 -3.166 328 HA SER 43 HA SER 43 7.507 13.890 -2.858 329 HB2 SER 43 HB2 SER 43 4.740 14.551 -1.770 330 HB3 SER 43 HB3 SER 43 6.104 15.694 -1.917 331 HG SER 43 HG SER 43 4.453 15.418 -3.759 332 H VAL 44 H VAL 44 5.763 11.924 -0.435 333 HA VAL 44 HA VAL 44 7.194 13.079 1.832 334 HB VAL 44 HB VAL 44 5.643 10.449 1.610 335 HG11 VAL 44 HG11 VAL 44 6.440 12.115 4.038 336 HG12 VAL 44 HG12 VAL 44 5.387 10.682 4.067 337 HG13 VAL 44 HG13 VAL 44 7.082 10.518 3.603 338 HG21 VAL 44 HG21 VAL 44 4.124 12.197 1.008 339 HG22 VAL 44 HG22 VAL 44 3.796 11.830 2.715 340 HG23 VAL 44 HG23 VAL 44 4.742 13.259 2.272 341 H LEU 45 H LEU 45 7.311 10.179 -0.187 342 HA LEU 45 HA LEU 45 9.510 8.851 1.014 343 HB2 LEU 45 HB2 LEU 45 8.491 8.820 -1.849 344 HB3 LEU 45 HB3 LEU 45 9.739 7.794 -1.322 345 HG LEU 45 HG LEU 45 7.228 6.998 -1.439 346 HD11 LEU 45 HD11 LEU 45 7.775 5.227 0.219 347 HD12 LEU 45 HD12 LEU 45 9.105 6.208 0.835 348 HD13 LEU 45 HD13 LEU 45 9.145 5.569 -0.840 349 HD21 LEU 45 HD21 LEU 45 6.260 8.502 0.289 350 HD22 LEU 45 HD22 LEU 45 7.394 7.832 1.505 351 HD23 LEU 45 HD23 LEU 45 6.138 6.825 0.766 352 H GLU 46 H GLU 46 9.369 11.350 -1.521 353 HA GLU 46 HA GLU 46 12.164 11.418 -2.187 354 HB2 GLU 46 HB2 GLU 46 9.689 13.151 -2.595 355 HB3 GLU 46 HB3 GLU 46 11.254 13.676 -3.130 356 HG2 GLU 46 HG2 GLU 46 10.080 11.024 -4.028 357 HG3 GLU 46 HG3 GLU 46 9.737 12.552 -4.852 358 H GLN 47 H GLN 47 10.028 13.796 -0.435 359 HA GLN 47 HA GLN 47 12.090 15.467 0.402 360 HB2 GLN 47 HB2 GLN 47 9.347 14.872 1.580 361 HB3 GLN 47 HB3 GLN 47 10.393 16.129 2.179 362 HG2 GLN 47 HG2 GLN 47 9.818 16.226 -0.763 363 HG3 GLN 47 HG3 GLN 47 8.504 16.620 0.347 364 HE21 GLN 47 HE21 GLN 47 8.364 18.777 1.005 365 HE22 GLN 47 HE22 GLN 47 9.766 19.849 0.984 366 H SER 48 H SER 48 10.794 12.524 2.045 367 HA SER 48 HA SER 48 12.927 12.854 4.084 368 HB2 SER 48 HB2 SER 48 10.179 11.737 4.714 369 HB3 SER 48 HB3 SER 48 11.438 12.306 5.808 370 HG SER 48 HG SER 48 9.724 13.735 5.656 371 H GLY 49 H GLY 49 10.411 10.372 3.207 372 HA2 GLY 49 HA2 GLY 49 11.411 8.376 2.015 373 HA3 GLY 49 HA3 GLY 49 12.491 8.274 3.415 374 H LEU 50 H LEU 50 11.533 6.189 3.790 375 HA LEU 50 HA LEU 50 8.853 5.571 4.301 376 HB2 LEU 50 HB2 LEU 50 10.685 4.027 3.728 377 HB3 LEU 50 HB3 LEU 50 11.430 4.280 5.291 378 HG LEU 50 HG LEU 50 10.195 2.141 4.974 379 HD11 LEU 50 HD11 LEU 50 8.986 3.701 7.255 380 HD12 LEU 50 HD12 LEU 50 10.627 3.001 7.253 381 HD13 LEU 50 HD13 LEU 50 9.207 1.955 7.106 382 HD21 LEU 50 HD21 LEU 50 7.666 3.827 5.086 383 HD22 LEU 50 HD22 LEU 50 7.767 2.073 5.102 384 HD23 LEU 50 HD23 LEU 50 8.298 2.958 3.660 385 HA PRO 51 HA PRO 51 8.693 7.874 8.240 386 HB2 PRO 51 HB2 PRO 51 5.953 6.649 8.326 387 HB3 PRO 51 HB3 PRO 51 6.423 8.348 8.634 388 HG2 PRO 51 HG2 PRO 51 5.259 7.684 6.280 389 HG3 PRO 51 HG3 PRO 51 6.712 8.752 6.269 390 HD2 PRO 51 HD2 PRO 51 6.599 5.744 5.841 391 HD3 PRO 51 HD3 PRO 51 7.383 6.992 4.830 392 H ALA 52 H ALA 52 9.166 7.289 10.311 393 HA ALA 52 HA ALA 52 9.745 4.721 11.181 394 HB1 ALA 52 HB1 ALA 52 9.860 5.689 13.416 395 HB2 ALA 52 HB2 ALA 52 10.578 6.779 12.211 396 HB3 ALA 52 HB3 ALA 52 8.954 7.115 12.862 397 H LYS 53 H LYS 53 6.569 6.328 11.257 398 HA LYS 53 HA LYS 53 5.380 4.638 13.231 399 HB2 LYS 53 HB2 LYS 53 3.252 5.489 12.528 400 HB3 LYS 53 HB3 LYS 53 4.427 6.792 12.557 401 HG2 LYS 53 HG2 LYS 53 4.630 5.922 9.944 402 HG3 LYS 53 HG3 LYS 53 2.928 5.614 10.291 403 HD2 LYS 53 HD2 LYS 53 4.366 8.269 10.652 404 HD3 LYS 53 HD3 LYS 53 3.378 7.823 9.241 405 HE2 LYS 53 HE2 LYS 53 1.424 7.485 10.722 406 HE3 LYS 53 HE3 LYS 53 2.379 8.005 12.116 407 HZ1 LYS 53 HZ1 LYS 53 1.134 9.821 11.367 408 HZ2 LYS 53 HZ2 LYS 53 1.524 9.632 9.810 409 HZ3 LYS 53 HZ3 LYS 53 2.675 10.155 10.883 410 H LEU 54 H LEU 54 6.313 3.796 9.945 411 HA LEU 54 HA LEU 54 4.795 1.274 10.153 412 HB2 LEU 54 HB2 LEU 54 5.374 2.823 7.604 413 HB3 LEU 54 HB3 LEU 54 4.382 1.403 7.804 414 HG LEU 54 HG LEU 54 3.196 3.412 9.453 415 HD11 LEU 54 HD11 LEU 54 3.487 4.446 6.622 416 HD12 LEU 54 HD12 LEU 54 4.573 4.964 7.909 417 HD13 LEU 54 HD13 LEU 54 2.829 5.268 8.023 418 HD21 LEU 54 HD21 LEU 54 1.290 3.122 8.088 419 HD22 LEU 54 HD22 LEU 54 2.024 1.579 8.358 420 HD23 LEU 54 HD23 LEU 54 2.231 2.364 6.778 421 H ARG 55 H ARG 55 7.449 1.918 11.029 422 HA ARG 55 HA ARG 55 9.331 0.863 9.045 423 HB2 ARG 55 HB2 ARG 55 11.051 1.565 10.503 424 HB3 ARG 55 HB3 ARG 55 9.808 2.777 10.567 425 HG2 ARG 55 HG2 ARG 55 9.877 2.568 12.839 426 HG3 ARG 55 HG3 ARG 55 9.087 0.994 12.615 427 HD2 ARG 55 HD2 ARG 55 11.669 0.269 12.218 428 HD3 ARG 55 HD3 ARG 55 11.906 1.706 13.201 429 HE ARG 55 HE ARG 55 10.662 0.726 14.993 430 HH11 ARG 55 HH11 ARG 55 11.242 -1.585 12.343 431 HH12 ARG 55 HH12 ARG 55 11.197 -2.976 13.354 432 HH21 ARG 55 HH21 ARG 55 10.138 -1.127 16.246 433 HH22 ARG 55 HH22 ARG 55 10.536 -2.703 15.642 434 H HIS 56 H HIS 56 7.187 -0.826 10.765 435 HA HIS 56 HA HIS 56 8.515 -2.794 12.266 436 HB2 HIS 56 HB2 HIS 56 5.907 -2.351 11.476 437 HB3 HIS 56 HB3 HIS 56 6.314 -3.686 10.417 438 HD1 HIS 56 HD1 HIS 56 7.709 -5.754 12.339 439 HD2 HIS 56 HD2 HIS 56 4.360 -3.340 13.192 440 HE1 HIS 56 HE1 HIS 56 6.460 -6.893 14.213 441 H GLU 57 H GLU 57 9.497 -4.725 11.645 442 HA GLU 57 HA GLU 57 11.365 -5.060 9.941 443 HB2 GLU 57 HB2 GLU 57 10.433 -6.578 11.794 444 HB3 GLU 57 HB3 GLU 57 9.399 -7.295 10.579 445 HG2 GLU 57 HG2 GLU 57 11.302 -8.705 10.957 446 HG3 GLU 57 HG3 GLU 57 11.398 -8.081 9.330 447 H GLN 58 H GLN 58 8.071 -5.404 8.641 448 HA GLN 58 HA GLN 58 9.191 -5.890 5.942 449 HB2 GLN 58 HB2 GLN 58 6.974 -7.510 7.282 450 HB3 GLN 58 HB3 GLN 58 7.426 -7.583 5.586 451 HG2 GLN 58 HG2 GLN 58 9.829 -8.172 6.442 452 HG3 GLN 58 HG3 GLN 58 9.083 -8.435 8.006 453 HE21 GLN 58 HE21 GLN 58 10.384 -10.289 5.865 454 HE22 GLN 58 HE22 GLN 58 9.251 -11.607 5.782 455 H ILE 59 H ILE 59 7.984 -4.870 4.357 456 HA ILE 59 HA ILE 59 5.521 -3.500 5.168 457 HB ILE 59 HB ILE 59 6.147 -1.456 4.563 458 HG12 ILE 59 HG12 ILE 59 8.912 -1.584 3.743 459 HG13 ILE 59 HG13 ILE 59 7.814 -2.378 2.602 460 HG21 ILE 59 HG21 ILE 59 8.056 -0.684 5.904 461 HG22 ILE 59 HG22 ILE 59 7.122 -1.920 6.749 462 HG23 ILE 59 HG23 ILE 59 8.664 -2.340 6.001 463 HD11 ILE 59 HD11 ILE 59 8.194 0.042 2.146 464 HD12 ILE 59 HD12 ILE 59 6.487 -0.360 2.388 465 HD13 ILE 59 HD13 ILE 59 7.410 0.434 3.677 466 H ILE 60 H ILE 60 4.873 -2.217 2.990 467 HA ILE 60 HA ILE 60 5.077 -3.892 0.590 468 HB ILE 60 HB ILE 60 2.344 -3.236 1.780 469 HG12 ILE 60 HG12 ILE 60 3.808 -5.899 1.739 470 HG13 ILE 60 HG13 ILE 60 3.189 -5.003 3.140 471 HG21 ILE 60 HG21 ILE 60 2.330 -3.276 -0.718 472 HG22 ILE 60 HG22 ILE 60 3.041 -4.910 -0.682 473 HG23 ILE 60 HG23 ILE 60 1.410 -4.563 -0.077 474 HD11 ILE 60 HD11 ILE 60 1.627 -6.485 1.013 475 HD12 ILE 60 HD12 ILE 60 1.607 -6.755 2.772 476 HD13 ILE 60 HD13 ILE 60 0.856 -5.302 2.096 477 H PHE 61 H PHE 61 4.371 -2.719 -1.182 478 HA PHE 61 HA PHE 61 3.917 0.224 -0.865 479 HB2 PHE 61 HB2 PHE 61 5.941 -1.291 -2.524 480 HB3 PHE 61 HB3 PHE 61 5.238 0.174 -3.204 481 HD1 PHE 61 HD1 PHE 61 5.019 2.201 -1.361 482 HD2 PHE 61 HD2 PHE 61 7.932 -0.944 -1.424 483 HE1 PHE 61 HE1 PHE 61 6.486 3.537 0.060 484 HE2 PHE 61 HE2 PHE 61 9.398 0.346 0.007 485 HZ PHE 61 HZ PHE 61 8.732 2.660 0.768 486 H HIS 62 H HIS 62 2.162 1.026 -2.036 487 HA HIS 62 HA HIS 62 1.502 -0.168 -4.486 488 HB2 HIS 62 HB2 HIS 62 0.479 -1.542 -2.336 489 HB3 HIS 62 HB3 HIS 62 -0.777 -0.323 -2.565 490 HD1 HIS 62 HD1 HIS 62 -2.338 -1.980 -3.373 491 HD2 HIS 62 HD2 HIS 62 1.250 -1.993 -5.508 492 HE1 HIS 62 HE1 HIS 62 -2.589 -3.769 -5.246 493 H CYS 63 H CYS 63 -0.685 0.782 -5.270 494 HA CYS 63 HA CYS 63 -1.260 3.404 -4.239 495 HB2 CYS 63 HB2 CYS 63 -0.498 4.534 -6.400 496 HB3 CYS 63 HB3 CYS 63 0.840 3.816 -5.516 497 HG CYS 63 HG CYS 63 0.980 1.594 -6.848 498 H GLN 64 H GLN 64 -2.340 4.311 -6.785 499 HA GLN 64 HA GLN 64 -4.948 3.196 -6.651 500 HB2 GLN 64 HB2 GLN 64 -4.122 5.549 -7.385 501 HB3 GLN 64 HB3 GLN 64 -3.756 4.812 -8.951 502 HG2 GLN 64 HG2 GLN 64 -6.158 4.175 -9.173 503 HG3 GLN 64 HG3 GLN 64 -6.477 4.904 -7.593 504 HE21 GLN 64 HE21 GLN 64 -7.203 5.423 -10.641 505 HE22 GLN 64 HE22 GLN 64 -7.258 7.161 -10.641 506 H ALA 65 H ALA 65 -6.055 2.336 -8.696 507 HA ALA 65 HA ALA 65 -4.752 -0.072 -9.634 508 HB1 ALA 65 HB1 ALA 65 -7.104 -0.080 -8.925 509 HB2 ALA 65 HB2 ALA 65 -7.489 1.150 -10.140 510 HB3 ALA 65 HB3 ALA 65 -6.975 -0.476 -10.647 511 H GLY 66 H GLY 66 -3.104 1.332 -10.534 512 HA2 GLY 66 HA2 GLY 66 -3.540 1.802 -13.450 513 HA3 GLY 66 HA3 GLY 66 -2.929 3.161 -12.504 514 H LYS 67 H LYS 67 -1.784 -0.031 -11.602 515 HA LYS 67 HA LYS 67 0.220 -1.028 -11.594 516 HB2 LYS 67 HB2 LYS 67 -0.584 -1.213 -14.015 517 HB3 LYS 67 HB3 LYS 67 0.563 0.067 -14.394 518 HG2 LYS 67 HG2 LYS 67 1.434 -2.080 -15.026 519 HG3 LYS 67 HG3 LYS 67 2.444 -1.412 -13.750 520 HD2 LYS 67 HD2 LYS 67 1.415 -2.903 -12.103 521 HD3 LYS 67 HD3 LYS 67 0.254 -3.493 -13.310 522 HE2 LYS 67 HE2 LYS 67 3.240 -3.741 -13.754 523 HE3 LYS 67 HE3 LYS 67 2.358 -4.921 -12.776 524 HZ1 LYS 67 HZ1 LYS 67 2.556 -5.589 -15.078 525 HZ2 LYS 67 HZ2 LYS 67 1.693 -4.304 -15.591 526 HZ3 LYS 67 HZ3 LYS 67 0.984 -5.447 -14.630 527 H ARG 68 H ARG 68 0.088 2.065 -11.169 528 HA ARG 68 HA ARG 68 2.557 3.182 -11.735 529 HB2 ARG 68 HB2 ARG 68 0.105 3.933 -10.456 530 HB3 ARG 68 HB3 ARG 68 1.380 4.316 -9.313 531 HG2 ARG 68 HG2 ARG 68 0.912 6.218 -10.662 532 HG3 ARG 68 HG3 ARG 68 2.551 5.650 -10.995 533 HD2 ARG 68 HD2 ARG 68 1.855 4.711 -13.140 534 HD3 ARG 68 HD3 ARG 68 0.149 4.925 -12.713 535 HE ARG 68 HE ARG 68 0.218 7.097 -13.305 536 HH11 ARG 68 HH11 ARG 68 3.625 6.097 -12.992 537 HH12 ARG 68 HH12 ARG 68 4.262 7.680 -13.220 538 HH21 ARG 68 HH21 ARG 68 0.966 9.046 -13.651 539 HH22 ARG 68 HH22 ARG 68 2.652 9.494 -13.722 540 H THR 69 H THR 69 2.408 0.604 -9.524 541 HA THR 69 HA THR 69 4.449 1.842 -7.784 542 HB THR 69 HB THR 69 3.835 -0.993 -7.301 543 HG1 THR 69 HG1 THR 69 1.823 -0.595 -7.898 544 HG21 THR 69 HG21 THR 69 3.412 1.373 -5.472 545 HG22 THR 69 HG22 THR 69 5.013 0.636 -5.758 546 HG23 THR 69 HG23 THR 69 3.707 -0.337 -5.081 547 H SER 70 H SER 70 4.175 -1.257 -9.549 548 HA SER 70 HA SER 70 6.661 -2.272 -9.362 549 HB2 SER 70 HB2 SER 70 4.592 -3.223 -10.466 550 HB3 SER 70 HB3 SER 70 5.061 -2.347 -11.932 551 HG SER 70 HG SER 70 5.890 -4.375 -12.047 552 H ASN 71 H ASN 71 5.741 0.102 -11.767 553 HA ASN 71 HA ASN 71 7.978 0.037 -13.409 554 HB2 ASN 71 HB2 ASN 71 5.810 1.403 -13.585 555 HB3 ASN 71 HB3 ASN 71 6.704 2.698 -12.799 556 HD21 ASN 71 HD21 ASN 71 9.304 2.389 -14.112 557 HD22 ASN 71 HD22 ASN 71 9.044 2.491 -15.832 558 H ASN 72 H ASN 72 7.840 1.694 -10.247 559 HA ASN 72 HA ASN 72 10.762 2.199 -10.528 560 HB2 ASN 72 HB2 ASN 72 8.765 4.229 -9.471 561 HB3 ASN 72 HB3 ASN 72 10.505 4.373 -9.439 562 HD21 ASN 72 HD21 ASN 72 7.668 4.627 -11.473 563 HD22 ASN 72 HD22 ASN 72 8.509 5.219 -12.912 564 H ALA 73 H ALA 73 9.088 0.133 -9.284 565 HA ALA 73 HA ALA 73 8.825 0.336 -6.526 566 HB1 ALA 73 HB1 ALA 73 9.447 -2.029 -8.319 567 HB2 ALA 73 HB2 ALA 73 8.978 -2.163 -6.611 568 HB3 ALA 73 HB3 ALA 73 7.860 -1.442 -7.764 569 H ASP 74 H ASP 74 11.792 -0.214 -8.390 570 HA ASP 74 HA ASP 74 13.506 -1.263 -6.438 571 HB2 ASP 74 HB2 ASP 74 14.268 0.809 -8.532 572 HB3 ASP 74 HB3 ASP 74 15.383 -0.188 -7.612 573 H LYS 75 H LYS 75 13.048 2.245 -7.201 574 HA LYS 75 HA LYS 75 14.782 3.094 -5.152 575 HB2 LYS 75 HB2 LYS 75 12.928 4.427 -6.990 576 HB3 LYS 75 HB3 LYS 75 12.801 5.149 -5.392 577 HG2 LYS 75 HG2 LYS 75 15.339 4.880 -7.042 578 HG3 LYS 75 HG3 LYS 75 14.431 6.351 -6.715 579 HD2 LYS 75 HD2 LYS 75 14.917 5.937 -4.207 580 HD3 LYS 75 HD3 LYS 75 16.046 4.699 -4.747 581 HE2 LYS 75 HE2 LYS 75 17.538 6.388 -4.654 582 HE3 LYS 75 HE3 LYS 75 16.981 6.642 -6.311 583 HZ1 LYS 75 HZ1 LYS 75 15.444 8.348 -5.368 584 HZ2 LYS 75 HZ2 LYS 75 17.030 8.685 -5.099 585 HZ3 LYS 75 HZ3 LYS 75 16.112 8.097 -3.876 586 H LEU 76 H LEU 76 11.299 2.675 -5.118 587 HA LEU 76 HA LEU 76 10.783 3.445 -2.431 588 HB2 LEU 76 HB2 LEU 76 9.412 1.267 -4.039 589 HB3 LEU 76 HB3 LEU 76 8.780 2.014 -2.588 590 HG LEU 76 HG LEU 76 9.237 3.455 -5.223 591 HD11 LEU 76 HD11 LEU 76 7.430 1.757 -5.305 592 HD12 LEU 76 HD12 LEU 76 6.797 3.401 -5.424 593 HD13 LEU 76 HD13 LEU 76 6.663 2.505 -3.891 594 HD21 LEU 76 HD21 LEU 76 7.868 5.262 -4.175 595 HD22 LEU 76 HD22 LEU 76 9.402 5.017 -3.332 596 HD23 LEU 76 HD23 LEU 76 7.901 4.369 -2.635 597 H ALA 77 H ALA 77 11.907 0.382 -3.770 598 HA ALA 77 HA ALA 77 11.780 -1.245 -1.473 599 HB1 ALA 77 HB1 ALA 77 12.317 -1.926 -3.920 600 HB2 ALA 77 HB2 ALA 77 13.996 -1.624 -3.495 601 HB3 ALA 77 HB3 ALA 77 13.066 -2.821 -2.590 602 H ALA 78 H ALA 78 14.597 0.487 -2.867 603 HA ALA 78 HA ALA 78 16.405 0.034 -0.729 604 HB1 ALA 78 HB1 ALA 78 17.677 1.914 -1.724 605 HB2 ALA 78 HB2 ALA 78 17.097 0.794 -2.969 606 HB3 ALA 78 HB3 ALA 78 16.277 2.348 -2.719 607 H ILE 79 H ILE 79 14.018 2.602 -1.262 608 HA ILE 79 HA ILE 79 14.712 4.361 0.846 609 HB ILE 79 HB ILE 79 12.325 3.830 -0.867 610 HG12 ILE 79 HG12 ILE 79 14.007 6.318 -0.380 611 HG13 ILE 79 HG13 ILE 79 14.332 5.129 -1.630 612 HG21 ILE 79 HG21 ILE 79 11.157 5.772 0.146 613 HG22 ILE 79 HG22 ILE 79 11.148 4.291 1.096 614 HG23 ILE 79 HG23 ILE 79 12.246 5.646 1.543 615 HD11 ILE 79 HD11 ILE 79 11.896 5.553 -2.435 616 HD12 ILE 79 HD12 ILE 79 11.980 7.033 -1.451 617 HD13 ILE 79 HD13 ILE 79 13.132 6.757 -2.773 618 H ALA 80 H ALA 80 12.765 1.291 0.905 619 HA ALA 80 HA ALA 80 12.173 1.835 3.783 620 HB1 ALA 80 HB1 ALA 80 10.253 1.643 2.397 621 HB2 ALA 80 HB2 ALA 80 10.833 0.112 1.731 622 HB3 ALA 80 HB3 ALA 80 10.382 0.232 3.457 623 H ALA 81 H ALA 81 14.521 0.273 2.039 624 HA ALA 81 HA ALA 81 14.678 -2.299 3.288 625 HB1 ALA 81 HB1 ALA 81 15.923 -1.514 1.202 626 HB2 ALA 81 HB2 ALA 81 16.915 -0.473 2.240 627 HB3 ALA 81 HB3 ALA 81 17.001 -2.240 2.401 628 HA PRO 82 HA PRO 82 17.023 -3.475 4.107 629 HB2 PRO 82 HB2 PRO 82 17.581 -4.851 6.391 630 HB3 PRO 82 HB3 PRO 82 18.671 -3.625 5.696 631 HG2 PRO 82 HG2 PRO 82 16.637 -3.256 7.912 632 HG3 PRO 82 HG3 PRO 82 18.362 -2.768 7.906 633 HD2 PRO 82 HD2 PRO 82 16.387 -1.004 7.292 634 HD3 PRO 82 HD3 PRO 82 17.945 -0.987 6.413 635 H ALA 83 H ALA 83 14.157 -2.645 5.738 636 HA ALA 83 HA ALA 83 13.088 -5.175 6.439 637 HB1 ALA 83 HB1 ALA 83 10.907 -4.029 6.254 638 HB2 ALA 83 HB2 ALA 83 12.078 -2.959 7.049 639 HB3 ALA 83 HB3 ALA 83 11.648 -2.730 5.330 640 H GLU 84 H GLU 84 11.398 -6.336 5.249 641 HA GLU 84 HA GLU 84 12.172 -6.748 2.433 642 HB2 GLU 84 HB2 GLU 84 10.366 -8.201 4.385 643 HB3 GLU 84 HB3 GLU 84 10.284 -8.507 2.667 644 HG2 GLU 84 HG2 GLU 84 12.841 -8.739 4.283 645 HG3 GLU 84 HG3 GLU 84 11.767 -10.085 3.921 646 H ILE 85 H ILE 85 11.123 -5.952 0.734 647 HA ILE 85 HA ILE 85 8.539 -4.576 1.201 648 HB ILE 85 HB ILE 85 11.003 -3.914 -0.482 649 HG12 ILE 85 HG12 ILE 85 10.733 -1.705 0.294 650 HG13 ILE 85 HG13 ILE 85 9.094 -1.984 0.857 651 HG21 ILE 85 HG21 ILE 85 8.201 -3.023 -1.226 652 HG22 ILE 85 HG22 ILE 85 9.724 -2.307 -1.842 653 HG23 ILE 85 HG23 ILE 85 9.308 -3.981 -2.206 654 HD11 ILE 85 HD11 ILE 85 10.870 -1.864 2.682 655 HD12 ILE 85 HD12 ILE 85 9.882 -3.307 2.701 656 HD13 ILE 85 HD13 ILE 85 11.544 -3.343 2.017 657 H PHE 86 H PHE 86 6.867 -4.963 -0.008 658 HA PHE 86 HA PHE 86 7.078 -6.773 -2.307 659 HB2 PHE 86 HB2 PHE 86 4.939 -6.967 -0.146 660 HB3 PHE 86 HB3 PHE 86 5.224 -8.108 -1.440 661 HD1 PHE 86 HD1 PHE 86 5.699 -7.537 1.961 662 HD2 PHE 86 HD2 PHE 86 7.830 -9.033 -1.432 663 HE1 PHE 86 HE1 PHE 86 7.226 -8.798 3.468 664 HE2 PHE 86 HE2 PHE 86 9.250 -10.428 0.037 665 HZ PHE 86 HZ PHE 86 8.907 -10.371 2.502 666 H LEU 87 H LEU 87 4.864 -6.956 -3.410 667 HA LEU 87 HA LEU 87 3.689 -4.260 -3.699 668 HB2 LEU 87 HB2 LEU 87 5.397 -5.677 -5.538 669 HB3 LEU 87 HB3 LEU 87 3.753 -5.878 -6.118 670 HG LEU 87 HG LEU 87 3.469 -3.388 -5.829 671 HD11 LEU 87 HD11 LEU 87 6.528 -3.461 -5.753 672 HD12 LEU 87 HD12 LEU 87 5.458 -2.783 -4.508 673 HD13 LEU 87 HD13 LEU 87 5.580 -2.011 -6.099 674 HD21 LEU 87 HD21 LEU 87 4.506 -2.953 -8.042 675 HD22 LEU 87 HD22 LEU 87 3.709 -4.530 -8.022 676 HD23 LEU 87 HD23 LEU 87 5.479 -4.422 -7.887 677 H LEU 88 H LEU 88 1.591 -4.408 -3.347 678 HA LEU 88 HA LEU 88 0.275 -6.927 -2.870 679 HB2 LEU 88 HB2 LEU 88 -0.064 -4.183 -2.169 680 HB3 LEU 88 HB3 LEU 88 -1.515 -4.635 -3.048 681 HG LEU 88 HG LEU 88 -0.447 -6.070 -0.602 682 HD11 LEU 88 HD11 LEU 88 -1.345 -3.874 -0.113 683 HD12 LEU 88 HD12 LEU 88 -2.508 -5.080 0.418 684 HD13 LEU 88 HD13 LEU 88 -2.804 -4.174 -1.087 685 HD21 LEU 88 HD21 LEU 88 -2.814 -7.083 -0.743 686 HD22 LEU 88 HD22 LEU 88 -1.602 -7.722 -1.877 687 HD23 LEU 88 HD23 LEU 88 -2.816 -6.580 -2.432 688 H GLU 89 H GLU 89 0.870 -5.653 -5.772 689 HA GLU 89 HA GLU 89 0.145 -5.750 -7.865 690 HB2 GLU 89 HB2 GLU 89 0.436 -8.115 -7.362 691 HB3 GLU 89 HB3 GLU 89 -1.272 -8.261 -6.905 692 HG2 GLU 89 HG2 GLU 89 -1.967 -7.673 -9.179 693 HG3 GLU 89 HG3 GLU 89 -0.298 -7.345 -9.645 694 H ASP 90 H ASP 90 -1.314 -5.199 -9.414 695 HA ASP 90 HA ASP 90 -3.025 -4.101 -10.323 696 HB2 ASP 90 HB2 ASP 90 -4.683 -5.992 -8.687 697 HB3 ASP 90 HB3 ASP 90 -5.245 -5.042 -10.064 698 H GLY 91 H GLY 91 -2.339 -3.241 -7.312 699 HA2 GLY 91 HA2 GLY 91 -2.693 -1.121 -6.353 700 HA3 GLY 91 HA3 GLY 91 -3.706 -0.697 -7.725 701 H ILE 92 H ILE 92 -5.648 -0.346 -7.152 702 HA ILE 92 HA ILE 92 -6.810 -1.462 -4.703 703 HB ILE 92 HB ILE 92 -7.274 0.840 -6.438 704 HG12 ILE 92 HG12 ILE 92 -6.577 0.940 -4.097 705 HG13 ILE 92 HG13 ILE 92 -8.022 1.890 -4.425 706 HG21 ILE 92 HG21 ILE 92 -9.667 1.157 -6.083 707 HG22 ILE 92 HG22 ILE 92 -9.306 -0.160 -7.212 708 HG23 ILE 92 HG23 ILE 92 -9.830 -0.531 -5.560 709 HD11 ILE 92 HD11 ILE 92 -9.436 0.078 -3.445 710 HD12 ILE 92 HD12 ILE 92 -7.972 -0.837 -3.037 711 HD13 ILE 92 HD13 ILE 92 -8.266 0.734 -2.295 712 H ASP 93 H ASP 93 -6.975 -2.155 -8.123 713 HA ASP 93 HA ASP 93 -9.429 -3.554 -8.166 714 HB2 ASP 93 HB2 ASP 93 -8.373 -2.882 -10.198 715 HB3 ASP 93 HB3 ASP 93 -6.913 -3.775 -9.833 716 H GLY 94 H GLY 94 -6.155 -4.621 -7.211 717 HA2 GLY 94 HA2 GLY 94 -6.665 -7.392 -7.013 718 HA3 GLY 94 HA3 GLY 94 -5.407 -6.517 -6.147 719 H TRP 95 H TRP 95 -6.650 -4.921 -4.372 720 HA TRP 95 HA TRP 95 -7.419 -6.359 -2.162 721 HB2 TRP 95 HB2 TRP 95 -7.001 -4.009 -2.023 722 HB3 TRP 95 HB3 TRP 95 -8.391 -3.628 -3.016 723 HD1 TRP 95 HD1 TRP 95 -10.246 -2.680 -1.626 724 HE1 TRP 95 HE1 TRP 95 -11.262 -3.075 0.727 725 HE3 TRP 95 HE3 TRP 95 -7.222 -6.389 0.013 726 HZ2 TRP 95 HZ2 TRP 95 -10.696 -4.611 3.067 727 HZ3 TRP 95 HZ3 TRP 95 -7.500 -7.390 2.266 728 HH2 TRP 95 HH2 TRP 95 -9.238 -6.498 3.820 729 H LYS 96 H LYS 96 -9.630 -4.797 -4.489 730 HA LYS 96 HA LYS 96 -12.006 -5.974 -3.444 731 HB2 LYS 96 HB2 LYS 96 -11.898 -3.802 -4.570 732 HB3 LYS 96 HB3 LYS 96 -11.483 -4.595 -6.101 733 HG2 LYS 96 HG2 LYS 96 -13.635 -5.714 -6.166 734 HG3 LYS 96 HG3 LYS 96 -14.052 -5.146 -4.531 735 HD2 LYS 96 HD2 LYS 96 -14.139 -2.843 -5.303 736 HD3 LYS 96 HD3 LYS 96 -13.479 -3.306 -6.883 737 HE2 LYS 96 HE2 LYS 96 -15.576 -4.976 -6.860 738 HE3 LYS 96 HE3 LYS 96 -16.236 -3.795 -5.725 739 HZ1 LYS 96 HZ1 LYS 96 -15.234 -3.228 -8.446 740 HZ2 LYS 96 HZ2 LYS 96 -15.895 -2.102 -7.404 741 HZ3 LYS 96 HZ3 LYS 96 -16.822 -3.333 -8.019 742 H LYS 97 H LYS 97 -9.768 -7.188 -5.981 743 HA LYS 97 HA LYS 97 -11.569 -8.923 -7.253 744 HB2 LYS 97 HB2 LYS 97 -8.778 -8.460 -7.377 745 HB3 LYS 97 HB3 LYS 97 -8.898 -10.123 -6.856 746 HG2 LYS 97 HG2 LYS 97 -8.818 -10.182 -9.199 747 HG3 LYS 97 HG3 LYS 97 -10.500 -10.538 -8.814 748 HD2 LYS 97 HD2 LYS 97 -11.252 -8.426 -9.629 749 HD3 LYS 97 HD3 LYS 97 -9.690 -7.667 -9.316 750 HE2 LYS 97 HE2 LYS 97 -9.661 -7.786 -11.617 751 HE3 LYS 97 HE3 LYS 97 -8.693 -9.164 -11.104 752 HZ1 LYS 97 HZ1 LYS 97 -11.125 -10.275 -11.322 753 HZ2 LYS 97 HZ2 LYS 97 -10.015 -10.214 -12.550 754 HZ3 LYS 97 HZ3 LYS 97 -11.219 -9.113 -12.485 755 H ALA 98 H ALA 98 -9.841 -9.357 -4.151 756 HA ALA 98 HA ALA 98 -10.669 -12.110 -3.822 757 HB1 ALA 98 HB1 ALA 98 -8.614 -11.138 -2.822 758 HB2 ALA 98 HB2 ALA 98 -9.629 -10.027 -1.885 759 HB3 ALA 98 HB3 ALA 98 -9.696 -11.777 -1.569 760 H GLY 99 H GLY 99 -12.673 -9.495 -3.995 761 HA2 GLY 99 HA2 GLY 99 -14.793 -9.119 -3.372 762 HA3 GLY 99 HA3 GLY 99 -14.810 -10.689 -2.547 763 H LEU 100 H LEU 100 -12.818 -7.650 -2.010 764 HA LEU 100 HA LEU 100 -13.881 -7.498 0.739 765 HB2 LEU 100 HB2 LEU 100 -11.038 -7.458 -0.279 766 HB3 LEU 100 HB3 LEU 100 -11.509 -6.663 1.214 767 HG LEU 100 HG LEU 100 -12.299 -9.548 0.830 768 HD11 LEU 100 HD11 LEU 100 -9.982 -9.652 0.294 769 HD12 LEU 100 HD12 LEU 100 -10.148 -10.189 1.965 770 HD13 LEU 100 HD13 LEU 100 -9.560 -8.550 1.608 771 HD21 LEU 100 HD21 LEU 100 -12.068 -9.510 3.306 772 HD22 LEU 100 HD22 LEU 100 -13.124 -8.183 2.781 773 HD23 LEU 100 HD23 LEU 100 -11.434 -7.850 3.230 774 HA PRO 101 HA PRO 101 -14.316 -3.315 -0.926 775 HB2 PRO 101 HB2 PRO 101 -15.915 -2.245 0.940 776 HB3 PRO 101 HB3 PRO 101 -16.501 -3.601 -0.083 777 HG2 PRO 101 HG2 PRO 101 -15.421 -3.718 2.741 778 HG3 PRO 101 HG3 PRO 101 -16.883 -4.503 2.066 779 HD2 PRO 101 HD2 PRO 101 -14.400 -5.768 2.303 780 HD3 PRO 101 HD3 PRO 101 -15.654 -6.219 1.109 781 H VAL 102 H VAL 102 -13.639 -1.135 -0.350 782 HA VAL 102 HA VAL 102 -11.317 -0.915 1.362 783 HB VAL 102 HB VAL 102 -11.579 1.487 0.376 784 HG11 VAL 102 HG11 VAL 102 -10.057 -0.231 -0.591 785 HG12 VAL 102 HG12 VAL 102 -11.374 -0.739 -1.680 786 HG13 VAL 102 HG13 VAL 102 -10.725 0.911 -1.775 787 HG21 VAL 102 HG21 VAL 102 -13.543 0.187 -1.564 788 HG22 VAL 102 HG22 VAL 102 -14.099 1.094 -0.157 789 HG23 VAL 102 HG23 VAL 102 -13.124 1.877 -1.412 790 H ALA 103 H ALA 103 -11.228 1.271 2.679 791 HA ALA 103 HA ALA 103 -13.494 1.177 4.567 792 HB1 ALA 103 HB1 ALA 103 -12.281 2.663 5.949 793 HB2 ALA 103 HB2 ALA 103 -11.114 1.469 5.332 794 HB3 ALA 103 HB3 ALA 103 -11.177 3.125 4.666 795 H VAL 104 H VAL 104 -15.145 1.803 2.948 796 HA VAL 104 HA VAL 104 -15.091 4.597 1.987 797 HB VAL 104 HB VAL 104 -17.490 3.765 1.183 798 HG11 VAL 104 HG11 VAL 104 -14.797 3.131 -0.006 799 HG12 VAL 104 HG12 VAL 104 -16.304 2.748 -0.879 800 HG13 VAL 104 HG13 VAL 104 -15.925 4.410 -0.422 801 HG21 VAL 104 HG21 VAL 104 -16.125 1.058 1.256 802 HG22 VAL 104 HG22 VAL 104 -17.371 1.564 2.419 803 HG23 VAL 104 HG23 VAL 104 -17.750 1.468 0.693 804 H ASN 105 H ASN 105 -16.819 6.097 2.542 805 HA ASN 105 HA ASN 105 -17.677 5.765 5.314 806 HB2 ASN 105 HB2 ASN 105 -16.674 7.861 4.339 807 HB3 ASN 105 HB3 ASN 105 -18.251 8.192 3.611 808 HD21 ASN 105 HD21 ASN 105 -16.411 8.919 6.276 809 HD22 ASN 105 HD22 ASN 105 -17.700 9.133 7.466 810 H LYS 106 H LYS 106 -19.163 4.107 5.090 811 HA LYS 106 HA LYS 106 -21.470 4.385 3.306 812 HB2 LYS 106 HB2 LYS 106 -20.784 2.378 5.465 813 HB3 LYS 106 HB3 LYS 106 -22.285 2.340 4.520 814 HG2 LYS 106 HG2 LYS 106 -20.905 2.336 2.409 815 HG3 LYS 106 HG3 LYS 106 -19.446 2.262 3.391 816 HD2 LYS 106 HD2 LYS 106 -20.039 0.074 2.560 817 HD3 LYS 106 HD3 LYS 106 -20.118 0.138 4.327 818 HE2 LYS 106 HE2 LYS 106 -22.577 0.286 4.243 819 HE3 LYS 106 HE3 LYS 106 -22.526 0.375 2.471 820 HZ1 LYS 106 HZ1 LYS 106 -23.045 -1.831 3.237 821 HZ2 LYS 106 HZ2 LYS 106 -21.633 -1.941 4.076 822 HZ3 LYS 106 HZ3 LYS 106 -21.624 -1.826 2.430 823 H SER 107 H SER 107 -23.689 4.124 4.241 824 HA SER 107 HA SER 107 -25.469 4.847 5.358 825 HB2 SER 107 HB2 SER 107 -23.676 5.705 7.643 826 HB3 SER 107 HB3 SER 107 -25.418 5.502 7.656 827 HG SER 107 HG SER 107 -24.464 3.753 8.557 828 H GLN 108 H GLN 108 -22.742 7.059 5.011 829 HA GLN 108 HA GLN 108 -24.093 9.528 5.432 830 HB2 GLN 108 HB2 GLN 108 -21.648 9.190 5.429 831 HB3 GLN 108 HB3 GLN 108 -21.670 8.726 3.728 832 HG2 GLN 108 HG2 GLN 108 -22.264 10.952 3.025 833 HG3 GLN 108 HG3 GLN 108 -22.592 11.452 4.695 834 HE21 GLN 108 HE21 GLN 108 -20.076 11.181 2.262 835 HE22 GLN 108 HE22 GLN 108 -18.778 11.701 3.303 Start of MODEL 16 1 H ALA 1 H ALA 1 14.725 -4.005 -7.090 2 HA ALA 1 HA ALA 1 12.980 -5.528 -7.721 3 HB1 ALA 1 HB1 ALA 1 14.510 -7.263 -8.582 4 HB2 ALA 1 HB2 ALA 1 14.949 -7.705 -6.916 5 HB3 ALA 1 HB3 ALA 1 13.292 -7.955 -7.510 6 H LEU 2 H LEU 2 11.882 -7.320 -6.159 7 HA LEU 2 HA LEU 2 12.189 -6.756 -3.412 8 HB2 LEU 2 HB2 LEU 2 9.979 -5.668 -3.143 9 HB3 LEU 2 HB3 LEU 2 11.252 -4.659 -3.764 10 HG LEU 2 HG LEU 2 8.973 -5.738 -5.480 11 HD11 LEU 2 HD11 LEU 2 8.110 -4.184 -3.846 12 HD12 LEU 2 HD12 LEU 2 8.200 -3.343 -5.381 13 HD13 LEU 2 HD13 LEU 2 9.438 -3.029 -4.161 14 HD21 LEU 2 HD21 LEU 2 9.663 -3.858 -7.036 15 HD22 LEU 2 HD22 LEU 2 10.798 -5.180 -6.972 16 HD23 LEU 2 HD23 LEU 2 11.141 -3.677 -6.077 17 H THR 3 H THR 3 8.996 -7.132 -4.168 18 HA THR 3 HA THR 3 8.985 -9.968 -4.846 19 HB THR 3 HB THR 3 7.886 -9.125 -2.130 20 HG1 THR 3 HG1 THR 3 10.467 -9.849 -2.801 21 HG21 THR 3 HG21 THR 3 8.493 -11.857 -3.341 22 HG22 THR 3 HG22 THR 3 6.880 -11.184 -2.981 23 HG23 THR 3 HG23 THR 3 7.998 -11.584 -1.667 24 H THR 4 H THR 4 6.681 -10.676 -5.217 25 HA THR 4 HA THR 4 4.685 -8.506 -5.406 26 HB THR 4 HB THR 4 4.166 -10.315 -7.491 27 HG1 THR 4 HG1 THR 4 6.136 -10.075 -8.751 28 HG21 THR 4 HG21 THR 4 5.628 -7.653 -7.706 29 HG22 THR 4 HG22 THR 4 3.872 -7.825 -7.490 30 HG23 THR 4 HG23 THR 4 4.640 -8.424 -8.966 31 H ILE 5 H ILE 5 2.498 -9.264 -4.926 32 HA ILE 5 HA ILE 5 2.260 -12.061 -4.098 33 HB ILE 5 HB ILE 5 3.190 -11.287 -2.108 34 HG12 ILE 5 HG12 ILE 5 0.242 -11.121 -1.514 35 HG13 ILE 5 HG13 ILE 5 1.097 -12.625 -1.893 36 HG21 ILE 5 HG21 ILE 5 3.001 -8.801 -2.518 37 HG22 ILE 5 HG22 ILE 5 1.304 -8.894 -2.016 38 HG23 ILE 5 HG23 ILE 5 2.619 -9.262 -0.875 39 HD11 ILE 5 HD11 ILE 5 0.918 -12.329 0.528 40 HD12 ILE 5 HD12 ILE 5 2.623 -12.251 0.020 41 HD13 ILE 5 HD13 ILE 5 1.742 -10.767 0.427 42 H SER 6 H SER 6 0.310 -12.868 -4.320 43 HA SER 6 HA SER 6 -1.642 -11.586 -5.796 44 HB2 SER 6 HB2 SER 6 -1.987 -13.960 -3.913 45 HB3 SER 6 HB3 SER 6 -2.866 -13.657 -5.419 46 HG SER 6 HG SER 6 -1.240 -15.176 -5.730 47 HA PRO 7 HA PRO 7 -4.006 -9.560 -2.636 48 HB2 PRO 7 HB2 PRO 7 -6.549 -9.615 -3.617 49 HB3 PRO 7 HB3 PRO 7 -5.229 -8.679 -4.392 50 HG2 PRO 7 HG2 PRO 7 -6.260 -11.407 -5.201 51 HG3 PRO 7 HG3 PRO 7 -5.929 -9.977 -6.237 52 HD2 PRO 7 HD2 PRO 7 -4.135 -11.991 -5.922 53 HD3 PRO 7 HD3 PRO 7 -3.638 -10.290 -6.158 54 H HIS 8 H HIS 8 -5.544 -10.039 -0.952 55 HA HIS 8 HA HIS 8 -6.804 -11.250 0.491 56 HB2 HIS 8 HB2 HIS 8 -7.533 -12.584 -1.703 57 HB3 HIS 8 HB3 HIS 8 -6.553 -13.847 -0.996 58 HD1 HIS 8 HD1 HIS 8 -9.793 -13.678 -1.470 59 HD2 HIS 8 HD2 HIS 8 -7.586 -13.494 2.117 60 HE1 HIS 8 HE1 HIS 8 -11.388 -14.379 0.383 61 H ASP 9 H ASP 9 -3.909 -12.915 -0.933 62 HA ASP 9 HA ASP 9 -3.171 -14.335 1.455 63 HB2 ASP 9 HB2 ASP 9 -1.671 -13.405 -1.018 64 HB3 ASP 9 HB3 ASP 9 -0.779 -14.093 0.320 65 H ALA 10 H ALA 10 -2.122 -11.171 0.170 66 HA ALA 10 HA ALA 10 -0.524 -10.535 2.463 67 HB1 ALA 10 HB1 ALA 10 -0.254 -9.487 0.175 68 HB2 ALA 10 HB2 ALA 10 -1.777 -8.613 0.438 69 HB3 ALA 10 HB3 ALA 10 -0.376 -8.300 1.478 70 H GLN 11 H GLN 11 -3.950 -10.644 2.370 71 HA GLN 11 HA GLN 11 -4.484 -8.367 4.070 72 HB2 GLN 11 HB2 GLN 11 -6.129 -9.658 2.605 73 HB3 GLN 11 HB3 GLN 11 -5.900 -11.025 3.693 74 HG2 GLN 11 HG2 GLN 11 -6.820 -9.658 5.571 75 HG3 GLN 11 HG3 GLN 11 -7.165 -8.375 4.404 76 HE21 GLN 11 HE21 GLN 11 -9.515 -8.764 5.176 77 HE22 GLN 11 HE22 GLN 11 -10.380 -10.122 4.476 78 H GLU 12 H GLU 12 -3.256 -11.730 4.559 79 HA GLU 12 HA GLU 12 -3.976 -11.854 7.321 80 HB2 GLU 12 HB2 GLU 12 -3.812 -13.804 5.811 81 HB3 GLU 12 HB3 GLU 12 -2.084 -13.499 5.565 82 HG2 GLU 12 HG2 GLU 12 -1.591 -13.890 7.858 83 HG3 GLU 12 HG3 GLU 12 -3.288 -13.820 8.325 84 H LEU 13 H LEU 13 -0.767 -11.721 5.750 85 HA LEU 13 HA LEU 13 0.667 -11.170 7.982 86 HB2 LEU 13 HB2 LEU 13 2.438 -10.223 6.478 87 HB3 LEU 13 HB3 LEU 13 1.775 -11.793 6.052 88 HG LEU 13 HG LEU 13 0.233 -10.549 4.415 89 HD11 LEU 13 HD11 LEU 13 1.013 -8.535 3.465 90 HD12 LEU 13 HD12 LEU 13 2.418 -8.445 4.580 91 HD13 LEU 13 HD13 LEU 13 0.766 -8.178 5.135 92 HD21 LEU 13 HD21 LEU 13 3.220 -10.701 3.906 93 HD22 LEU 13 HD22 LEU 13 1.967 -10.559 2.662 94 HD23 LEU 13 HD23 LEU 13 2.029 -12.003 3.679 95 H ILE 14 H ILE 14 -1.185 -8.770 6.186 96 HA ILE 14 HA ILE 14 -0.093 -6.508 7.541 97 HB ILE 14 HB ILE 14 -1.874 -7.137 5.462 98 HG12 ILE 14 HG12 ILE 14 -1.231 -4.297 6.167 99 HG13 ILE 14 HG13 ILE 14 0.078 -5.437 5.791 100 HG21 ILE 14 HG21 ILE 14 -3.804 -6.987 6.750 101 HG22 ILE 14 HG22 ILE 14 -3.379 -5.355 7.334 102 HG23 ILE 14 HG23 ILE 14 -3.778 -5.617 5.615 103 HD11 ILE 14 HD11 ILE 14 -0.914 -6.069 3.698 104 HD12 ILE 14 HD12 ILE 14 -2.269 -4.951 3.969 105 HD13 ILE 14 HD13 ILE 14 -0.612 -4.320 3.759 106 H ALA 15 H ALA 15 -2.963 -8.564 8.234 107 HA ALA 15 HA ALA 15 -3.818 -7.007 10.466 108 HB1 ALA 15 HB1 ALA 15 -5.208 -8.718 9.281 109 HB2 ALA 15 HB2 ALA 15 -4.169 -9.993 9.953 110 HB3 ALA 15 HB3 ALA 15 -5.132 -8.969 11.037 111 H ARG 16 H ARG 16 -1.304 -9.348 9.964 112 HA ARG 16 HA ARG 16 -0.818 -10.069 12.732 113 HB2 ARG 16 HB2 ARG 16 1.261 -10.114 10.530 114 HB3 ARG 16 HB3 ARG 16 1.293 -10.949 12.064 115 HG2 ARG 16 HG2 ARG 16 -0.778 -11.430 9.877 116 HG3 ARG 16 HG3 ARG 16 0.676 -12.379 10.156 117 HD2 ARG 16 HD2 ARG 16 -0.175 -12.815 12.515 118 HD3 ARG 16 HD3 ARG 16 -1.699 -12.066 11.986 119 HE ARG 16 HE ARG 16 -0.713 -14.252 10.292 120 HH11 ARG 16 HH11 ARG 16 -2.674 -13.441 13.141 121 HH12 ARG 16 HH12 ARG 16 -3.667 -14.865 13.019 122 HH21 ARG 16 HH21 ARG 16 -2.020 -16.152 10.170 123 HH22 ARG 16 HH22 ARG 16 -3.336 -16.353 11.285 124 H GLY 17 H GLY 17 0.892 -7.863 10.509 125 HA2 GLY 17 HA2 GLY 17 1.152 -5.683 12.293 126 HA3 GLY 17 HA3 GLY 17 2.585 -6.689 12.482 127 H ALA 18 H ALA 18 2.008 -7.295 9.272 128 HA ALA 18 HA ALA 18 4.052 -5.522 8.444 129 HB1 ALA 18 HB1 ALA 18 3.520 -6.250 6.164 130 HB2 ALA 18 HB2 ALA 18 3.495 -7.645 7.257 131 HB3 ALA 18 HB3 ALA 18 1.972 -6.913 6.710 132 H LYS 19 H LYS 19 3.968 -3.647 7.124 133 HA LYS 19 HA LYS 19 1.410 -2.068 7.366 134 HB2 LYS 19 HB2 LYS 19 4.366 -1.353 7.423 135 HB3 LYS 19 HB3 LYS 19 3.214 -0.153 6.923 136 HG2 LYS 19 HG2 LYS 19 4.103 -0.561 9.465 137 HG3 LYS 19 HG3 LYS 19 2.757 0.442 8.994 138 HD2 LYS 19 HD2 LYS 19 2.293 -2.462 9.640 139 HD3 LYS 19 HD3 LYS 19 2.524 -1.284 10.922 140 HE2 LYS 19 HE2 LYS 19 0.636 0.070 9.913 141 HE3 LYS 19 HE3 LYS 19 0.307 -1.294 8.838 142 HZ1 LYS 19 HZ1 LYS 19 -1.025 -1.356 10.792 143 HZ2 LYS 19 HZ2 LYS 19 0.305 -1.463 11.787 144 HZ3 LYS 19 HZ3 LYS 19 -0.081 -2.676 10.748 145 H LEU 20 H LEU 20 0.886 -0.591 5.754 146 HA LEU 20 HA LEU 20 2.076 -1.159 3.091 147 HB2 LEU 20 HB2 LEU 20 -0.318 -2.113 3.380 148 HB3 LEU 20 HB3 LEU 20 -0.822 -0.442 3.541 149 HG LEU 20 HG LEU 20 0.202 0.035 1.260 150 HD11 LEU 20 HD11 LEU 20 1.569 -2.035 1.354 151 HD12 LEU 20 HD12 LEU 20 0.685 -1.849 -0.136 152 HD13 LEU 20 HD13 LEU 20 0.104 -2.986 1.115 153 HD21 LEU 20 HD21 LEU 20 -2.309 -1.251 1.919 154 HD22 LEU 20 HD22 LEU 20 -1.785 -1.721 0.299 155 HD23 LEU 20 HD23 LEU 20 -1.936 -0.010 0.690 156 H ILE 21 H ILE 21 2.343 0.663 1.783 157 HA ILE 21 HA ILE 21 2.052 3.267 3.210 158 HB ILE 21 HB ILE 21 4.020 2.642 1.010 159 HG12 ILE 21 HG12 ILE 21 4.589 1.049 2.722 160 HG13 ILE 21 HG13 ILE 21 5.794 2.319 2.655 161 HG21 ILE 21 HG21 ILE 21 3.567 5.021 1.490 162 HG22 ILE 21 HG22 ILE 21 3.955 4.765 3.196 163 HG23 ILE 21 HG23 ILE 21 5.220 4.587 1.961 164 HD11 ILE 21 HD11 ILE 21 5.037 3.281 4.704 165 HD12 ILE 21 HD12 ILE 21 3.549 2.315 4.723 166 HD13 ILE 21 HD13 ILE 21 5.117 1.533 4.976 167 H ASP 22 H ASP 22 0.535 4.508 2.393 168 HA ASP 22 HA ASP 22 -0.830 3.886 -0.130 169 HB2 ASP 22 HB2 ASP 22 -2.070 4.414 1.932 170 HB3 ASP 22 HB3 ASP 22 -1.187 5.902 2.122 171 H ILE 23 H ILE 23 0.846 4.219 -1.515 172 HA ILE 23 HA ILE 23 2.263 6.818 -1.718 173 HB ILE 23 HB ILE 23 3.739 5.625 -3.258 174 HG12 ILE 23 HG12 ILE 23 2.878 2.865 -2.586 175 HG13 ILE 23 HG13 ILE 23 1.651 3.716 -3.512 176 HG21 ILE 23 HG21 ILE 23 3.489 4.102 -0.666 177 HG22 ILE 23 HG22 ILE 23 4.915 4.205 -1.715 178 HG23 ILE 23 HG23 ILE 23 4.318 5.658 -0.879 179 HD11 ILE 23 HD11 ILE 23 3.316 2.510 -4.914 180 HD12 ILE 23 HD12 ILE 23 3.173 4.234 -5.283 181 HD13 ILE 23 HD13 ILE 23 4.559 3.639 -4.336 182 H ARG 24 H ARG 24 -0.476 6.880 -2.463 183 HA ARG 24 HA ARG 24 -0.359 7.040 -5.442 184 HB2 ARG 24 HB2 ARG 24 -2.942 6.925 -5.198 185 HB3 ARG 24 HB3 ARG 24 -1.958 5.455 -5.170 186 HG2 ARG 24 HG2 ARG 24 -2.052 5.288 -2.783 187 HG3 ARG 24 HG3 ARG 24 -2.791 6.903 -2.707 188 HD2 ARG 24 HD2 ARG 24 -4.788 5.801 -3.980 189 HD3 ARG 24 HD3 ARG 24 -4.062 4.276 -3.408 190 HE ARG 24 HE ARG 24 -4.181 6.345 -1.405 191 HH11 ARG 24 HH11 ARG 24 -6.072 3.564 -2.637 192 HH12 ARG 24 HH12 ARG 24 -7.268 3.655 -1.384 193 HH21 ARG 24 HH21 ARG 24 -5.452 6.072 0.409 194 HH22 ARG 24 HH22 ARG 24 -7.093 5.444 0.242 195 H ASP 25 H ASP 25 -2.873 8.627 -3.440 196 HA ASP 25 HA ASP 25 -1.526 11.165 -3.475 197 HB2 ASP 25 HB2 ASP 25 -2.273 10.883 -5.859 198 HB3 ASP 25 HB3 ASP 25 -3.907 10.608 -5.250 199 H ALA 26 H ALA 26 -2.766 12.654 -2.291 200 HA ALA 26 HA ALA 26 -4.309 11.615 -0.149 201 HB1 ALA 26 HB1 ALA 26 -4.134 14.493 -1.151 202 HB2 ALA 26 HB2 ALA 26 -4.634 13.969 0.471 203 HB3 ALA 26 HB3 ALA 26 -2.963 13.706 -0.068 204 H ASP 27 H ASP 27 -5.400 12.899 -3.315 205 HA ASP 27 HA ASP 27 -8.101 13.382 -2.487 206 HB2 ASP 27 HB2 ASP 27 -6.835 14.209 -4.596 207 HB3 ASP 27 HB3 ASP 27 -7.286 12.659 -5.321 208 H GLU 28 H GLU 28 -6.368 10.465 -3.342 209 HA GLU 28 HA GLU 28 -8.726 8.944 -4.092 210 HB2 GLU 28 HB2 GLU 28 -6.046 7.882 -3.092 211 HB3 GLU 28 HB3 GLU 28 -7.263 6.998 -4.010 212 HG2 GLU 28 HG2 GLU 28 -5.546 9.298 -4.970 213 HG3 GLU 28 HG3 GLU 28 -5.419 7.623 -5.461 214 H TYR 29 H TYR 29 -6.734 9.243 -1.147 215 HA TYR 29 HA TYR 29 -8.089 7.439 0.519 216 HB2 TYR 29 HB2 TYR 29 -5.922 8.544 1.031 217 HB3 TYR 29 HB3 TYR 29 -6.776 10.059 1.321 218 HD1 TYR 29 HD1 TYR 29 -6.066 6.671 2.622 219 HD2 TYR 29 HD2 TYR 29 -8.173 10.356 3.353 220 HE1 TYR 29 HE1 TYR 29 -6.523 5.943 4.930 221 HE2 TYR 29 HE2 TYR 29 -8.671 9.607 5.663 222 HH TYR 29 HH TYR 29 -7.409 6.545 7.044 223 H LEU 30 H LEU 30 -9.049 10.654 -0.527 224 HA LEU 30 HA LEU 30 -10.900 11.292 1.484 225 HB2 LEU 30 HB2 LEU 30 -9.884 12.771 -0.271 226 HB3 LEU 30 HB3 LEU 30 -11.000 12.087 -1.452 227 HG LEU 30 HG LEU 30 -12.183 13.090 1.115 228 HD11 LEU 30 HD11 LEU 30 -11.191 14.984 -1.050 229 HD12 LEU 30 HD12 LEU 30 -10.518 14.824 0.587 230 HD13 LEU 30 HD13 LEU 30 -12.173 15.410 0.386 231 HD21 LEU 30 HD21 LEU 30 -14.005 13.815 -0.350 232 HD22 LEU 30 HD22 LEU 30 -13.597 12.141 -0.762 233 HD23 LEU 30 HD23 LEU 30 -13.032 13.456 -1.795 234 H ARG 31 H ARG 31 -11.342 9.375 -1.529 235 HA ARG 31 HA ARG 31 -14.208 9.008 -0.780 236 HB2 ARG 31 HB2 ARG 31 -12.703 8.285 -3.314 237 HB3 ARG 31 HB3 ARG 31 -14.385 7.856 -2.962 238 HG2 ARG 31 HG2 ARG 31 -14.909 10.303 -2.627 239 HG3 ARG 31 HG3 ARG 31 -13.259 10.671 -3.147 240 HD2 ARG 31 HD2 ARG 31 -14.655 10.946 -5.055 241 HD3 ARG 31 HD3 ARG 31 -13.728 9.460 -5.295 242 HE ARG 31 HE ARG 31 -16.382 9.078 -4.104 243 HH11 ARG 31 HH11 ARG 31 -14.659 9.398 -7.196 244 HH12 ARG 31 HH12 ARG 31 -15.872 8.567 -8.112 245 HH21 ARG 31 HH21 ARG 31 -17.906 7.949 -5.262 246 HH22 ARG 31 HH22 ARG 31 -17.684 7.555 -6.957 247 H GLU 32 H GLU 32 -11.218 7.042 -1.143 248 HA GLU 32 HA GLU 32 -12.616 4.925 0.418 249 HB2 GLU 32 HB2 GLU 32 -10.990 4.118 -2.003 250 HB3 GLU 32 HB3 GLU 32 -12.082 3.171 -1.048 251 HG2 GLU 32 HG2 GLU 32 -14.010 4.382 -2.088 252 HG3 GLU 32 HG3 GLU 32 -12.869 5.340 -3.045 253 H HIS 33 H HIS 33 -11.089 3.224 1.264 254 HA HIS 33 HA HIS 33 -8.334 4.394 1.406 255 HB2 HIS 33 HB2 HIS 33 -9.475 4.547 3.536 256 HB3 HIS 33 HB3 HIS 33 -9.572 2.774 3.565 257 HD1 HIS 33 HD1 HIS 33 -7.952 3.024 5.893 258 HD2 HIS 33 HD2 HIS 33 -6.246 4.050 2.156 259 HE1 HIS 33 HE1 HIS 33 -5.441 3.063 6.203 260 H ILE 34 H ILE 34 -8.017 1.440 2.847 261 HA ILE 34 HA ILE 34 -7.938 -0.304 0.610 262 HB ILE 34 HB ILE 34 -5.947 1.766 0.703 263 HG12 ILE 34 HG12 ILE 34 -6.514 -0.556 -0.931 264 HG13 ILE 34 HG13 ILE 34 -6.198 1.118 -1.325 265 HG21 ILE 34 HG21 ILE 34 -4.400 -0.597 1.702 266 HG22 ILE 34 HG22 ILE 34 -3.871 1.020 1.211 267 HG23 ILE 34 HG23 ILE 34 -4.866 0.798 2.657 268 HD11 ILE 34 HD11 ILE 34 -3.811 0.733 -1.322 269 HD12 ILE 34 HD12 ILE 34 -4.038 -0.914 -0.667 270 HD13 ILE 34 HD13 ILE 34 -4.637 -0.537 -2.273 271 HA PRO 35 HA PRO 35 -6.881 -3.277 3.910 272 HB2 PRO 35 HB2 PRO 35 -5.004 -4.930 2.783 273 HB3 PRO 35 HB3 PRO 35 -6.743 -4.946 2.449 274 HG2 PRO 35 HG2 PRO 35 -4.610 -3.959 0.591 275 HG3 PRO 35 HG3 PRO 35 -6.116 -4.564 0.232 276 HD2 PRO 35 HD2 PRO 35 -5.477 -1.928 0.372 277 HD3 PRO 35 HD3 PRO 35 -7.142 -2.565 0.282 278 H GLU 36 H GLU 36 -6.161 -1.762 5.265 279 HA GLU 36 HA GLU 36 -4.898 -0.525 6.603 280 HB2 GLU 36 HB2 GLU 36 -4.626 -3.192 6.889 281 HB3 GLU 36 HB3 GLU 36 -2.949 -2.775 6.809 282 HG2 GLU 36 HG2 GLU 36 -5.061 -1.774 8.772 283 HG3 GLU 36 HG3 GLU 36 -3.749 -2.904 9.086 284 H ALA 37 H ALA 37 -4.064 1.247 5.318 285 HA ALA 37 HA ALA 37 -1.139 1.088 4.932 286 HB1 ALA 37 HB1 ALA 37 -3.070 2.555 3.106 287 HB2 ALA 37 HB2 ALA 37 -1.304 2.420 2.933 288 HB3 ALA 37 HB3 ALA 37 -2.310 0.989 2.757 289 H ASP 38 H ASP 38 -0.435 3.602 4.532 290 HA ASP 38 HA ASP 38 -1.925 5.468 6.250 291 HB2 ASP 38 HB2 ASP 38 0.367 4.062 7.177 292 HB3 ASP 38 HB3 ASP 38 0.906 5.691 6.737 293 H LEU 39 H LEU 39 -1.801 7.464 5.381 294 HA LEU 39 HA LEU 39 -1.061 7.849 2.714 295 HB2 LEU 39 HB2 LEU 39 -2.918 8.980 3.736 296 HB3 LEU 39 HB3 LEU 39 -1.837 9.883 4.798 297 HG LEU 39 HG LEU 39 -0.843 10.985 2.752 298 HD11 LEU 39 HD11 LEU 39 -2.040 10.766 0.586 299 HD12 LEU 39 HD12 LEU 39 -3.081 9.505 1.284 300 HD13 LEU 39 HD13 LEU 39 -1.344 9.229 1.090 301 HD21 LEU 39 HD21 LEU 39 -2.660 12.118 3.946 302 HD22 LEU 39 HD22 LEU 39 -3.870 11.222 3.003 303 HD23 LEU 39 HD23 LEU 39 -2.809 12.392 2.209 304 H ALA 40 H ALA 40 0.858 7.900 1.890 305 HA ALA 40 HA ALA 40 2.801 9.965 2.591 306 HB1 ALA 40 HB1 ALA 40 4.648 8.335 2.784 307 HB2 ALA 40 HB2 ALA 40 3.496 8.195 4.128 308 HB3 ALA 40 HB3 ALA 40 3.460 7.012 2.810 309 HA PRO 41 HA PRO 41 1.974 8.914 -1.872 310 HB2 PRO 41 HB2 PRO 41 2.147 11.520 -2.824 311 HB3 PRO 41 HB3 PRO 41 0.647 10.713 -2.276 312 HG2 PRO 41 HG2 PRO 41 2.437 12.600 -0.744 313 HG3 PRO 41 HG3 PRO 41 0.649 12.561 -0.803 314 HD2 PRO 41 HD2 PRO 41 2.023 11.478 1.275 315 HD3 PRO 41 HD3 PRO 41 0.541 10.712 0.650 316 H LEU 42 H LEU 42 3.416 9.329 -3.770 317 HA LEU 42 HA LEU 42 6.016 8.623 -3.333 318 HB2 LEU 42 HB2 LEU 42 4.925 8.408 -5.490 319 HB3 LEU 42 HB3 LEU 42 4.849 10.155 -5.677 320 HG LEU 42 HG LEU 42 7.314 10.280 -5.766 321 HD11 LEU 42 HD11 LEU 42 7.964 8.278 -4.521 322 HD12 LEU 42 HD12 LEU 42 8.575 8.187 -6.173 323 HD13 LEU 42 HD13 LEU 42 7.141 7.241 -5.710 324 HD21 LEU 42 HD21 LEU 42 6.184 8.355 -7.810 325 HD22 LEU 42 HD22 LEU 42 7.573 9.440 -8.007 326 HD23 LEU 42 HD23 LEU 42 5.947 10.121 -7.830 327 H SER 43 H SER 43 4.855 12.037 -3.397 328 HA SER 43 HA SER 43 7.361 13.304 -3.510 329 HB2 SER 43 HB2 SER 43 4.862 14.122 -1.977 330 HB3 SER 43 HB3 SER 43 6.221 15.180 -2.420 331 HG SER 43 HG SER 43 5.810 14.846 -4.551 332 H VAL 44 H VAL 44 5.657 12.031 -0.617 333 HA VAL 44 HA VAL 44 7.567 12.978 1.258 334 HB VAL 44 HB VAL 44 5.759 10.571 1.649 335 HG11 VAL 44 HG11 VAL 44 7.372 11.385 3.457 336 HG12 VAL 44 HG12 VAL 44 6.407 12.870 3.530 337 HG13 VAL 44 HG13 VAL 44 5.651 11.318 3.920 338 HG21 VAL 44 HG21 VAL 44 4.911 13.503 1.629 339 HG22 VAL 44 HG22 VAL 44 4.250 12.185 0.642 340 HG23 VAL 44 HG23 VAL 44 3.971 12.201 2.380 341 H LEU 45 H LEU 45 7.188 9.895 -0.451 342 HA LEU 45 HA LEU 45 9.233 8.400 0.867 343 HB2 LEU 45 HB2 LEU 45 7.995 8.244 -1.892 344 HB3 LEU 45 HB3 LEU 45 9.228 7.131 -1.413 345 HG LEU 45 HG LEU 45 6.711 6.592 -1.218 346 HD11 LEU 45 HD11 LEU 45 8.708 5.807 0.960 347 HD12 LEU 45 HD12 LEU 45 8.484 5.001 -0.619 348 HD13 LEU 45 HD13 LEU 45 7.217 4.929 0.607 349 HD21 LEU 45 HD21 LEU 45 6.013 8.335 0.379 350 HD22 LEU 45 HD22 LEU 45 7.135 7.673 1.607 351 HD23 LEU 45 HD23 LEU 45 5.744 6.733 1.031 352 H GLU 46 H GLU 46 9.374 10.605 -1.885 353 HA GLU 46 HA GLU 46 12.122 10.032 -2.604 354 HB2 GLU 46 HB2 GLU 46 9.965 12.042 -3.360 355 HB3 GLU 46 HB3 GLU 46 11.557 12.081 -4.043 356 HG2 GLU 46 HG2 GLU 46 10.168 9.415 -4.162 357 HG3 GLU 46 HG3 GLU 46 9.435 10.705 -5.087 358 H GLN 47 H GLN 47 10.272 12.529 -0.829 359 HA GLN 47 HA GLN 47 12.337 14.366 -0.286 360 HB2 GLN 47 HB2 GLN 47 9.675 13.647 0.943 361 HB3 GLN 47 HB3 GLN 47 10.750 14.597 1.924 362 HG2 GLN 47 HG2 GLN 47 10.008 15.453 -0.892 363 HG3 GLN 47 HG3 GLN 47 9.044 15.864 0.524 364 HE21 GLN 47 HE21 GLN 47 10.449 16.814 2.478 365 HE22 GLN 47 HE22 GLN 47 11.541 18.079 1.969 366 H SER 48 H SER 48 11.192 11.565 1.586 367 HA SER 48 HA SER 48 13.847 11.442 2.940 368 HB2 SER 48 HB2 SER 48 11.584 12.757 4.165 369 HB3 SER 48 HB3 SER 48 11.916 11.287 5.078 370 HG SER 48 HG SER 48 13.046 13.228 5.701 371 H GLY 49 H GLY 49 11.042 9.724 1.858 372 HA2 GLY 49 HA2 GLY 49 10.994 7.425 1.625 373 HA3 GLY 49 HA3 GLY 49 12.333 7.244 2.747 374 H LEU 50 H LEU 50 11.190 5.516 3.584 375 HA LEU 50 HA LEU 50 8.636 5.350 4.571 376 HB2 LEU 50 HB2 LEU 50 10.330 3.553 4.113 377 HB3 LEU 50 HB3 LEU 50 11.147 3.988 5.614 378 HG LEU 50 HG LEU 50 8.923 3.452 6.817 379 HD11 LEU 50 HD11 LEU 50 7.422 3.533 4.837 380 HD12 LEU 50 HD12 LEU 50 7.413 1.919 5.545 381 HD13 LEU 50 HD13 LEU 50 8.343 2.227 4.073 382 HD21 LEU 50 HD21 LEU 50 10.397 1.248 5.302 383 HD22 LEU 50 HD22 LEU 50 9.361 0.993 6.695 384 HD23 LEU 50 HD23 LEU 50 10.855 1.931 6.874 385 HA PRO 51 HA PRO 51 9.152 7.905 8.310 386 HB2 PRO 51 HB2 PRO 51 6.602 7.711 9.301 387 HB3 PRO 51 HB3 PRO 51 7.009 8.753 7.890 388 HG2 PRO 51 HG2 PRO 51 5.795 5.991 7.948 389 HG3 PRO 51 HG3 PRO 51 5.324 7.376 6.917 390 HD2 PRO 51 HD2 PRO 51 6.934 5.280 6.112 391 HD3 PRO 51 HD3 PRO 51 7.070 6.923 5.419 392 H ALA 52 H ALA 52 9.202 7.543 10.604 393 HA ALA 52 HA ALA 52 9.814 4.980 11.524 394 HB1 ALA 52 HB1 ALA 52 8.837 7.378 13.130 395 HB2 ALA 52 HB2 ALA 52 9.657 5.938 13.775 396 HB3 ALA 52 HB3 ALA 52 10.516 7.004 12.665 397 H LYS 53 H LYS 53 6.621 6.649 11.625 398 HA LYS 53 HA LYS 53 5.339 4.719 13.231 399 HB2 LYS 53 HB2 LYS 53 3.229 5.538 12.395 400 HB3 LYS 53 HB3 LYS 53 4.326 6.864 12.739 401 HG2 LYS 53 HG2 LYS 53 4.771 6.329 10.019 402 HG3 LYS 53 HG3 LYS 53 3.031 6.061 10.216 403 HD2 LYS 53 HD2 LYS 53 4.615 8.554 10.896 404 HD3 LYS 53 HD3 LYS 53 3.542 8.334 9.509 405 HE2 LYS 53 HE2 LYS 53 1.602 8.043 11.025 406 HE3 LYS 53 HE3 LYS 53 2.659 8.275 12.435 407 HZ1 LYS 53 HZ1 LYS 53 3.173 10.488 11.597 408 HZ2 LYS 53 HZ2 LYS 53 1.548 10.316 11.813 409 HZ3 LYS 53 HZ3 LYS 53 2.153 10.244 10.309 410 H LEU 54 H LEU 54 6.369 4.336 9.870 411 HA LEU 54 HA LEU 54 4.901 1.722 9.786 412 HB2 LEU 54 HB2 LEU 54 5.682 3.373 7.378 413 HB3 LEU 54 HB3 LEU 54 4.550 2.029 7.441 414 HG LEU 54 HG LEU 54 4.074 4.739 8.703 415 HD11 LEU 54 HD11 LEU 54 4.349 4.770 6.183 416 HD12 LEU 54 HD12 LEU 54 2.968 5.541 6.910 417 HD13 LEU 54 HD13 LEU 54 2.770 3.942 6.143 418 HD21 LEU 54 HD21 LEU 54 1.794 4.112 8.983 419 HD22 LEU 54 HD22 LEU 54 2.762 2.824 9.677 420 HD23 LEU 54 HD23 LEU 54 2.040 2.598 8.079 421 H ARG 55 H ARG 55 7.584 2.383 10.840 422 HA ARG 55 HA ARG 55 9.455 1.421 8.826 423 HB2 ARG 55 HB2 ARG 55 11.155 1.815 10.430 424 HB3 ARG 55 HB3 ARG 55 10.007 3.131 10.512 425 HG2 ARG 55 HG2 ARG 55 9.922 2.772 12.755 426 HG3 ARG 55 HG3 ARG 55 9.003 1.292 12.400 427 HD2 ARG 55 HD2 ARG 55 11.257 0.117 12.216 428 HD3 ARG 55 HD3 ARG 55 11.984 1.642 12.753 429 HE ARG 55 HE ARG 55 10.024 1.037 14.627 430 HH11 ARG 55 HH11 ARG 55 12.936 -0.582 13.343 431 HH12 ARG 55 HH12 ARG 55 13.368 -1.342 14.830 432 HH21 ARG 55 HH21 ARG 55 10.719 0.135 16.688 433 HH22 ARG 55 HH22 ARG 55 12.122 -0.897 16.749 434 H HIS 56 H HIS 56 7.216 -0.314 10.265 435 HA HIS 56 HA HIS 56 8.205 -2.435 11.664 436 HB2 HIS 56 HB2 HIS 56 5.886 -1.980 9.942 437 HB3 HIS 56 HB3 HIS 56 6.456 -3.616 9.748 438 HD1 HIS 56 HD1 HIS 56 4.411 -1.579 12.076 439 HD2 HIS 56 HD2 HIS 56 6.661 -5.142 12.117 440 HE1 HIS 56 HE1 HIS 56 3.529 -2.949 14.003 441 H GLU 57 H GLU 57 9.124 -4.386 11.247 442 HA GLU 57 HA GLU 57 11.200 -4.631 9.440 443 HB2 GLU 57 HB2 GLU 57 10.593 -5.823 11.673 444 HB3 GLU 57 HB3 GLU 57 9.725 -6.982 10.672 445 HG2 GLU 57 HG2 GLU 57 11.873 -7.485 9.495 446 HG3 GLU 57 HG3 GLU 57 12.699 -6.288 10.509 447 H GLN 58 H GLN 58 7.902 -5.054 8.710 448 HA GLN 58 HA GLN 58 8.462 -6.121 6.020 449 HB2 GLN 58 HB2 GLN 58 6.555 -7.271 8.138 450 HB3 GLN 58 HB3 GLN 58 6.213 -7.386 6.425 451 HG2 GLN 58 HG2 GLN 58 8.625 -8.392 6.219 452 HG3 GLN 58 HG3 GLN 58 8.527 -8.605 7.961 453 HE21 GLN 58 HE21 GLN 58 5.965 -9.032 5.377 454 HE22 GLN 58 HE22 GLN 58 5.734 -10.737 5.701 455 H ILE 59 H ILE 59 7.673 -4.812 4.614 456 HA ILE 59 HA ILE 59 5.192 -3.430 5.220 457 HB ILE 59 HB ILE 59 5.817 -1.401 4.700 458 HG12 ILE 59 HG12 ILE 59 8.589 -1.419 3.867 459 HG13 ILE 59 HG13 ILE 59 7.626 -2.430 2.793 460 HG21 ILE 59 HG21 ILE 59 7.728 -0.592 5.986 461 HG22 ILE 59 HG22 ILE 59 6.817 -1.825 6.883 462 HG23 ILE 59 HG23 ILE 59 8.362 -2.232 6.097 463 HD11 ILE 59 HD11 ILE 59 7.734 -0.120 1.986 464 HD12 ILE 59 HD12 ILE 59 6.083 -0.598 2.374 465 HD13 ILE 59 HD13 ILE 59 6.991 0.438 3.499 466 H ILE 60 H ILE 60 4.576 -2.355 2.960 467 HA ILE 60 HA ILE 60 5.105 -3.992 0.605 468 HB ILE 60 HB ILE 60 2.315 -3.975 1.867 469 HG12 ILE 60 HG12 ILE 60 4.348 -6.177 1.578 470 HG13 ILE 60 HG13 ILE 60 3.625 -5.534 3.051 471 HG21 ILE 60 HG21 ILE 60 2.079 -3.876 -0.597 472 HG22 ILE 60 HG22 ILE 60 3.252 -5.204 -0.774 473 HG23 ILE 60 HG23 ILE 60 1.664 -5.448 -0.080 474 HD11 ILE 60 HD11 ILE 60 2.841 -7.733 2.485 475 HD12 ILE 60 HD12 ILE 60 1.527 -6.533 2.591 476 HD13 ILE 60 HD13 ILE 60 2.112 -7.159 1.006 477 H PHE 61 H PHE 61 3.913 -3.027 -1.240 478 HA PHE 61 HA PHE 61 3.232 -0.132 -0.923 479 HB2 PHE 61 HB2 PHE 61 5.156 -1.568 -2.768 480 HB3 PHE 61 HB3 PHE 61 4.404 -0.051 -3.285 481 HD1 PHE 61 HD1 PHE 61 4.462 1.793 -1.154 482 HD2 PHE 61 HD2 PHE 61 7.319 -1.281 -2.070 483 HE1 PHE 61 HE1 PHE 61 6.202 3.050 0.068 484 HE2 PHE 61 HE2 PHE 61 9.053 -0.061 -0.766 485 HZ PHE 61 HZ PHE 61 8.512 2.136 0.253 486 H HIS 62 H HIS 62 1.362 0.500 -1.950 487 HA HIS 62 HA HIS 62 0.287 -1.013 -4.193 488 HB2 HIS 62 HB2 HIS 62 -0.577 -1.814 -1.774 489 HB3 HIS 62 HB3 HIS 62 -1.605 -0.393 -1.924 490 HD1 HIS 62 HD1 HIS 62 -1.149 -2.185 -5.236 491 HD2 HIS 62 HD2 HIS 62 -3.382 -2.662 -1.692 492 HE1 HIS 62 HE1 HIS 62 -2.956 -3.872 -5.723 493 H CYS 63 H CYS 63 -0.678 0.545 -5.581 494 HA CYS 63 HA CYS 63 -0.802 3.331 -4.567 495 HB2 CYS 63 HB2 CYS 63 -0.058 4.046 -6.801 496 HB3 CYS 63 HB3 CYS 63 1.119 2.995 -6.073 497 HG CYS 63 HG CYS 63 -1.319 2.092 -8.204 498 H GLN 64 H GLN 64 -1.946 4.163 -7.260 499 HA GLN 64 HA GLN 64 -4.745 3.405 -6.651 500 HB2 GLN 64 HB2 GLN 64 -3.920 5.824 -6.892 501 HB3 GLN 64 HB3 GLN 64 -3.653 5.475 -8.591 502 HG2 GLN 64 HG2 GLN 64 -6.367 4.694 -7.974 503 HG3 GLN 64 HG3 GLN 64 -6.092 6.218 -7.163 504 HE21 GLN 64 HE21 GLN 64 -6.219 8.157 -8.494 505 HE22 GLN 64 HE22 GLN 64 -6.119 8.077 -10.232 506 H ALA 65 H ALA 65 -5.968 3.268 -9.054 507 HA ALA 65 HA ALA 65 -5.002 0.857 -10.347 508 HB1 ALA 65 HB1 ALA 65 -7.330 1.126 -9.976 509 HB2 ALA 65 HB2 ALA 65 -7.368 2.693 -10.813 510 HB3 ALA 65 HB3 ALA 65 -7.041 1.201 -11.718 511 H GLY 66 H GLY 66 -3.003 2.138 -10.786 512 HA2 GLY 66 HA2 GLY 66 -2.936 3.275 -13.537 513 HA3 GLY 66 HA3 GLY 66 -2.262 4.251 -12.259 514 H LYS 67 H LYS 67 -1.598 0.914 -11.697 515 HA LYS 67 HA LYS 67 0.343 -0.248 -11.683 516 HB2 LYS 67 HB2 LYS 67 -0.281 -0.098 -14.218 517 HB3 LYS 67 HB3 LYS 67 1.094 0.978 -14.325 518 HG2 LYS 67 HG2 LYS 67 2.278 -0.851 -14.762 519 HG3 LYS 67 HG3 LYS 67 2.264 -1.186 -13.045 520 HD2 LYS 67 HD2 LYS 67 0.484 -2.786 -13.320 521 HD3 LYS 67 HD3 LYS 67 0.173 -2.255 -14.992 522 HE2 LYS 67 HE2 LYS 67 2.387 -3.089 -15.656 523 HE3 LYS 67 HE3 LYS 67 2.752 -3.533 -13.981 524 HZ1 LYS 67 HZ1 LYS 67 0.843 -5.091 -14.092 525 HZ2 LYS 67 HZ2 LYS 67 2.017 -5.443 -15.189 526 HZ3 LYS 67 HZ3 LYS 67 0.633 -4.715 -15.675 527 H ARG 68 H ARG 68 0.482 2.879 -11.168 528 HA ARG 68 HA ARG 68 3.056 3.819 -11.360 529 HB2 ARG 68 HB2 ARG 68 0.845 4.393 -9.376 530 HB3 ARG 68 HB3 ARG 68 2.362 5.300 -9.369 531 HG2 ARG 68 HG2 ARG 68 1.960 6.326 -11.415 532 HG3 ARG 68 HG3 ARG 68 1.041 4.977 -12.040 533 HD2 ARG 68 HD2 ARG 68 -0.552 6.601 -11.922 534 HD3 ARG 68 HD3 ARG 68 -0.863 5.644 -10.472 535 HE ARG 68 HE ARG 68 0.918 7.822 -9.881 536 HH11 ARG 68 HH11 ARG 68 -2.570 7.347 -10.766 537 HH12 ARG 68 HH12 ARG 68 -3.045 8.692 -9.766 538 HH21 ARG 68 HH21 ARG 68 0.134 9.600 -8.678 539 HH22 ARG 68 HH22 ARG 68 -1.600 9.930 -8.638 540 H THR 69 H THR 69 2.158 1.190 -9.217 541 HA THR 69 HA THR 69 4.315 1.534 -7.348 542 HB THR 69 HB THR 69 3.790 -1.084 -7.259 543 HG1 THR 69 HG1 THR 69 1.476 -1.314 -7.691 544 HG21 THR 69 HG21 THR 69 1.906 -0.600 -5.668 545 HG22 THR 69 HG22 THR 69 2.017 1.087 -6.167 546 HG23 THR 69 HG23 THR 69 3.401 0.295 -5.390 547 H SER 70 H SER 70 3.802 -1.074 -9.704 548 HA SER 70 HA SER 70 6.387 -1.969 -9.989 549 HB2 SER 70 HB2 SER 70 3.882 -2.595 -10.995 550 HB3 SER 70 HB3 SER 70 4.750 -2.130 -12.457 551 HG SER 70 HG SER 70 4.919 -4.343 -11.928 552 H ASN 71 H ASN 71 4.909 0.754 -11.535 553 HA ASN 71 HA ASN 71 6.502 1.324 -13.735 554 HB2 ASN 71 HB2 ASN 71 4.453 2.511 -12.733 555 HB3 ASN 71 HB3 ASN 71 5.591 3.469 -11.786 556 HD21 ASN 71 HD21 ASN 71 7.623 3.640 -14.141 557 HD22 ASN 71 HD22 ASN 71 6.746 4.697 -15.260 558 H ASN 72 H ASN 72 7.267 2.155 -10.326 559 HA ASN 72 HA ASN 72 10.128 2.529 -11.001 560 HB2 ASN 72 HB2 ASN 72 8.437 4.581 -9.514 561 HB3 ASN 72 HB3 ASN 72 10.189 4.654 -9.720 562 HD21 ASN 72 HD21 ASN 72 10.478 4.104 -12.448 563 HD22 ASN 72 HD22 ASN 72 9.758 5.424 -13.350 564 H ALA 73 H ALA 73 8.630 0.447 -9.711 565 HA ALA 73 HA ALA 73 8.560 0.565 -6.907 566 HB1 ALA 73 HB1 ALA 73 8.516 -1.886 -7.019 567 HB2 ALA 73 HB2 ALA 73 7.424 -1.173 -8.194 568 HB3 ALA 73 HB3 ALA 73 8.988 -1.833 -8.732 569 H ASP 74 H ASP 74 11.409 -0.029 -8.958 570 HA ASP 74 HA ASP 74 12.883 -1.398 -6.935 571 HB2 ASP 74 HB2 ASP 74 13.353 -0.821 -9.551 572 HB3 ASP 74 HB3 ASP 74 14.433 0.352 -8.806 573 H LYS 75 H LYS 75 12.476 2.074 -7.559 574 HA LYS 75 HA LYS 75 14.481 2.968 -5.715 575 HB2 LYS 75 HB2 LYS 75 12.466 4.088 -7.516 576 HB3 LYS 75 HB3 LYS 75 12.274 4.818 -5.935 577 HG2 LYS 75 HG2 LYS 75 14.894 4.741 -7.487 578 HG3 LYS 75 HG3 LYS 75 13.751 6.096 -7.444 579 HD2 LYS 75 HD2 LYS 75 13.998 6.029 -4.891 580 HD3 LYS 75 HD3 LYS 75 15.394 4.964 -5.154 581 HE2 LYS 75 HE2 LYS 75 16.424 6.731 -6.593 582 HE3 LYS 75 HE3 LYS 75 14.998 7.752 -6.341 583 HZ1 LYS 75 HZ1 LYS 75 16.912 6.917 -4.242 584 HZ2 LYS 75 HZ2 LYS 75 15.530 7.767 -3.963 585 HZ3 LYS 75 HZ3 LYS 75 16.704 8.435 -4.860 586 H LEU 76 H LEU 76 10.962 2.467 -5.518 587 HA LEU 76 HA LEU 76 10.520 3.256 -2.853 588 HB2 LEU 76 HB2 LEU 76 9.108 1.099 -4.466 589 HB3 LEU 76 HB3 LEU 76 8.521 1.769 -2.957 590 HG LEU 76 HG LEU 76 8.956 3.420 -5.455 591 HD11 LEU 76 HD11 LEU 76 7.175 1.753 -5.799 592 HD12 LEU 76 HD12 LEU 76 6.497 3.376 -5.667 593 HD13 LEU 76 HD13 LEU 76 6.402 2.247 -4.283 594 HD21 LEU 76 HD21 LEU 76 9.033 4.794 -3.402 595 HD22 LEU 76 HD22 LEU 76 7.525 4.046 -2.825 596 HD23 LEU 76 HD23 LEU 76 7.526 5.086 -4.268 597 H ALA 77 H ALA 77 11.592 0.111 -4.112 598 HA ALA 77 HA ALA 77 11.414 -1.426 -1.768 599 HB1 ALA 77 HB1 ALA 77 13.489 -1.633 -4.000 600 HB2 ALA 77 HB2 ALA 77 13.061 -2.889 -2.841 601 HB3 ALA 77 HB3 ALA 77 11.863 -2.342 -4.028 602 H ALA 78 H ALA 78 14.380 0.139 -3.029 603 HA ALA 78 HA ALA 78 15.935 -0.247 -0.714 604 HB1 ALA 78 HB1 ALA 78 16.924 0.384 -2.842 605 HB2 ALA 78 HB2 ALA 78 16.092 1.966 -2.807 606 HB3 ALA 78 HB3 ALA 78 17.366 1.591 -1.622 607 H ILE 79 H ILE 79 13.756 2.438 -1.545 608 HA ILE 79 HA ILE 79 14.356 4.271 0.487 609 HB ILE 79 HB ILE 79 12.048 3.665 -1.289 610 HG12 ILE 79 HG12 ILE 79 13.524 6.257 -0.727 611 HG13 ILE 79 HG13 ILE 79 14.073 5.050 -1.895 612 HG21 ILE 79 HG21 ILE 79 11.783 5.469 1.104 613 HG22 ILE 79 HG22 ILE 79 10.732 5.567 -0.320 614 HG23 ILE 79 HG23 ILE 79 10.745 4.095 0.638 615 HD11 ILE 79 HD11 ILE 79 11.473 6.625 -2.029 616 HD12 ILE 79 HD12 ILE 79 12.853 6.726 -3.107 617 HD13 ILE 79 HD13 ILE 79 11.872 5.254 -3.091 618 H ALA 80 H ALA 80 12.256 1.344 0.650 619 HA ALA 80 HA ALA 80 11.609 1.969 3.493 620 HB1 ALA 80 HB1 ALA 80 10.327 0.169 1.475 621 HB2 ALA 80 HB2 ALA 80 9.851 0.330 3.190 622 HB3 ALA 80 HB3 ALA 80 9.742 1.716 2.103 623 H ALA 81 H ALA 81 14.082 0.310 2.019 624 HA ALA 81 HA ALA 81 14.130 -2.108 3.529 625 HB1 ALA 81 HB1 ALA 81 15.520 -1.509 1.498 626 HB2 ALA 81 HB2 ALA 81 16.466 -0.396 2.514 627 HB3 ALA 81 HB3 ALA 81 16.502 -2.141 2.809 628 HA PRO 82 HA PRO 82 16.528 -3.033 4.664 629 HB2 PRO 82 HB2 PRO 82 16.956 -4.244 7.044 630 HB3 PRO 82 HB3 PRO 82 18.004 -2.949 6.419 631 HG2 PRO 82 HG2 PRO 82 15.756 -2.728 8.423 632 HG3 PRO 82 HG3 PRO 82 17.392 -2.019 8.510 633 HD2 PRO 82 HD2 PRO 82 15.198 -0.612 7.639 634 HD3 PRO 82 HD3 PRO 82 16.835 -0.321 7.009 635 H ALA 83 H ALA 83 13.507 -2.405 6.178 636 HA ALA 83 HA ALA 83 12.542 -4.962 6.775 637 HB1 ALA 83 HB1 ALA 83 10.317 -3.875 6.359 638 HB2 ALA 83 HB2 ALA 83 11.392 -2.840 7.327 639 HB3 ALA 83 HB3 ALA 83 11.134 -2.510 5.597 640 H GLU 84 H GLU 84 10.964 -6.213 5.533 641 HA GLU 84 HA GLU 84 11.891 -6.674 2.751 642 HB2 GLU 84 HB2 GLU 84 9.870 -8.120 4.510 643 HB3 GLU 84 HB3 GLU 84 10.146 -8.484 2.812 644 HG2 GLU 84 HG2 GLU 84 12.658 -8.706 3.473 645 HG3 GLU 84 HG3 GLU 84 12.054 -8.850 5.132 646 H ILE 85 H ILE 85 10.801 -5.971 0.978 647 HA ILE 85 HA ILE 85 8.218 -4.534 1.368 648 HB ILE 85 HB ILE 85 10.710 -4.007 -0.256 649 HG12 ILE 85 HG12 ILE 85 10.517 -1.763 0.391 650 HG13 ILE 85 HG13 ILE 85 8.860 -1.954 0.972 651 HG21 ILE 85 HG21 ILE 85 9.095 -4.032 -1.974 652 HG22 ILE 85 HG22 ILE 85 7.940 -3.066 -1.032 653 HG23 ILE 85 HG23 ILE 85 9.456 -2.349 -1.647 654 HD11 ILE 85 HD11 ILE 85 10.572 -1.771 2.796 655 HD12 ILE 85 HD12 ILE 85 9.630 -3.244 2.873 656 HD13 ILE 85 HD13 ILE 85 11.292 -3.260 2.195 657 H PHE 86 H PHE 86 6.578 -4.896 -0.088 658 HA PHE 86 HA PHE 86 6.965 -6.831 -2.241 659 HB2 PHE 86 HB2 PHE 86 4.623 -7.076 -0.305 660 HB3 PHE 86 HB3 PHE 86 4.981 -8.091 -1.651 661 HD1 PHE 86 HD1 PHE 86 6.840 -7.107 1.542 662 HD2 PHE 86 HD2 PHE 86 5.472 -10.258 -1.078 663 HE1 PHE 86 HE1 PHE 86 7.870 -8.787 3.014 664 HE2 PHE 86 HE2 PHE 86 6.516 -11.927 0.432 665 HZ PHE 86 HZ PHE 86 7.729 -11.203 2.454 666 H LEU 87 H LEU 87 4.826 -7.024 -3.476 667 HA LEU 87 HA LEU 87 3.610 -4.332 -3.870 668 HB2 LEU 87 HB2 LEU 87 4.690 -6.317 -5.908 669 HB3 LEU 87 HB3 LEU 87 3.590 -5.020 -6.338 670 HG LEU 87 HG LEU 87 6.360 -4.673 -5.166 671 HD11 LEU 87 HD11 LEU 87 6.959 -3.876 -7.457 672 HD12 LEU 87 HD12 LEU 87 5.330 -4.326 -8.017 673 HD13 LEU 87 HD13 LEU 87 6.453 -5.570 -7.431 674 HD21 LEU 87 HD21 LEU 87 4.308 -2.708 -6.210 675 HD22 LEU 87 HD22 LEU 87 6.016 -2.257 -5.959 676 HD23 LEU 87 HD23 LEU 87 5.006 -2.756 -4.590 677 H LEU 88 H LEU 88 1.555 -4.772 -3.035 678 HA LEU 88 HA LEU 88 0.323 -7.393 -3.463 679 HB2 LEU 88 HB2 LEU 88 -0.266 -5.771 -1.558 680 HB3 LEU 88 HB3 LEU 88 -1.116 -4.803 -2.754 681 HG LEU 88 HG LEU 88 -1.730 -7.675 -1.899 682 HD11 LEU 88 HD11 LEU 88 -3.205 -5.052 -1.474 683 HD12 LEU 88 HD12 LEU 88 -2.478 -6.098 -0.251 684 HD13 LEU 88 HD13 LEU 88 -3.911 -6.630 -1.128 685 HD21 LEU 88 HD21 LEU 88 -3.931 -7.257 -3.233 686 HD22 LEU 88 HD22 LEU 88 -2.498 -7.807 -4.079 687 HD23 LEU 88 HD23 LEU 88 -2.977 -6.087 -4.148 688 H GLU 89 H GLU 89 -0.644 -7.938 -5.279 689 HA GLU 89 HA GLU 89 -0.371 -7.232 -7.749 690 HB2 GLU 89 HB2 GLU 89 -1.654 -9.133 -6.678 691 HB3 GLU 89 HB3 GLU 89 -3.054 -8.075 -6.623 692 HG2 GLU 89 HG2 GLU 89 -3.451 -9.209 -8.573 693 HG3 GLU 89 HG3 GLU 89 -2.571 -7.810 -9.228 694 H ASP 90 H ASP 90 -0.217 -5.044 -8.323 695 HA ASP 90 HA ASP 90 -0.926 -3.261 -9.505 696 HB2 ASP 90 HB2 ASP 90 -3.807 -4.008 -9.047 697 HB3 ASP 90 HB3 ASP 90 -3.203 -2.745 -10.087 698 H GLY 91 H GLY 91 -3.609 -1.969 -8.275 699 HA2 GLY 91 HA2 GLY 91 -2.170 -0.384 -6.176 700 HA3 GLY 91 HA3 GLY 91 -3.169 0.360 -7.413 701 H ILE 92 H ILE 92 -5.332 -1.245 -7.535 702 HA ILE 92 HA ILE 92 -6.381 -1.732 -4.859 703 HB ILE 92 HB ILE 92 -6.732 0.725 -5.343 704 HG12 ILE 92 HG12 ILE 92 -9.271 0.620 -4.746 705 HG13 ILE 92 HG13 ILE 92 -9.020 -1.129 -4.675 706 HG21 ILE 92 HG21 ILE 92 -7.208 0.638 -7.720 707 HG22 ILE 92 HG22 ILE 92 -8.752 -0.198 -7.392 708 HG23 ILE 92 HG23 ILE 92 -8.477 1.452 -6.802 709 HD11 ILE 92 HD11 ILE 92 -7.644 1.029 -3.079 710 HD12 ILE 92 HD12 ILE 92 -8.691 -0.266 -2.473 711 HD13 ILE 92 HD13 ILE 92 -7.083 -0.664 -3.094 712 H ASP 93 H ASP 93 -6.263 -2.256 -8.290 713 HA ASP 93 HA ASP 93 -8.671 -3.645 -8.690 714 HB2 ASP 93 HB2 ASP 93 -7.323 -2.740 -10.435 715 HB3 ASP 93 HB3 ASP 93 -5.930 -3.691 -10.048 716 H GLY 94 H GLY 94 -5.502 -4.648 -7.338 717 HA2 GLY 94 HA2 GLY 94 -6.072 -7.413 -7.099 718 HA3 GLY 94 HA3 GLY 94 -4.861 -6.517 -6.166 719 H TRP 95 H TRP 95 -6.209 -4.769 -4.568 720 HA TRP 95 HA TRP 95 -7.133 -6.301 -2.454 721 HB2 TRP 95 HB2 TRP 95 -6.651 -3.987 -2.170 722 HB3 TRP 95 HB3 TRP 95 -8.049 -3.518 -3.141 723 HD1 TRP 95 HD1 TRP 95 -9.919 -2.734 -1.630 724 HE1 TRP 95 HE1 TRP 95 -10.924 -3.382 0.667 725 HE3 TRP 95 HE3 TRP 95 -6.858 -6.618 -0.401 726 HZ2 TRP 95 HZ2 TRP 95 -10.340 -5.120 2.818 727 HZ3 TRP 95 HZ3 TRP 95 -7.129 -7.791 1.770 728 HH2 TRP 95 HH2 TRP 95 -8.818 -7.005 3.415 729 H LYS 96 H LYS 96 -9.069 -4.765 -5.083 730 HA LYS 96 HA LYS 96 -11.610 -5.751 -4.223 731 HB2 LYS 96 HB2 LYS 96 -11.242 -3.735 -5.596 732 HB3 LYS 96 HB3 LYS 96 -10.697 -4.735 -6.945 733 HG2 LYS 96 HG2 LYS 96 -12.947 -5.817 -7.019 734 HG3 LYS 96 HG3 LYS 96 -13.472 -4.820 -5.655 735 HD2 LYS 96 HD2 LYS 96 -13.204 -2.802 -6.985 736 HD3 LYS 96 HD3 LYS 96 -12.473 -3.724 -8.323 737 HE2 LYS 96 HE2 LYS 96 -14.536 -4.950 -8.696 738 HE3 LYS 96 HE3 LYS 96 -15.279 -4.241 -7.253 739 HZ1 LYS 96 HZ1 LYS 96 -15.199 -2.095 -8.266 740 HZ2 LYS 96 HZ2 LYS 96 -15.962 -3.110 -9.285 741 HZ3 LYS 96 HZ3 LYS 96 -14.412 -2.659 -9.597 742 H LYS 97 H LYS 97 -9.134 -7.281 -6.352 743 HA LYS 97 HA LYS 97 -10.790 -9.206 -7.640 744 HB2 LYS 97 HB2 LYS 97 -7.942 -9.297 -6.652 745 HB3 LYS 97 HB3 LYS 97 -8.705 -10.751 -7.231 746 HG2 LYS 97 HG2 LYS 97 -9.066 -9.787 -9.430 747 HG3 LYS 97 HG3 LYS 97 -8.354 -8.244 -8.914 748 HD2 LYS 97 HD2 LYS 97 -6.235 -9.288 -8.424 749 HD3 LYS 97 HD3 LYS 97 -6.888 -10.920 -8.670 750 HE2 LYS 97 HE2 LYS 97 -7.070 -10.647 -10.994 751 HE3 LYS 97 HE3 LYS 97 -6.913 -8.877 -10.894 752 HZ1 LYS 97 HZ1 LYS 97 -4.704 -9.057 -10.322 753 HZ2 LYS 97 HZ2 LYS 97 -4.870 -10.082 -11.610 754 HZ3 LYS 97 HZ3 LYS 97 -4.747 -10.695 -10.087 755 H ALA 98 H ALA 98 -9.384 -9.206 -4.368 756 HA ALA 98 HA ALA 98 -10.214 -11.853 -3.661 757 HB1 ALA 98 HB1 ALA 98 -9.588 -9.408 -1.947 758 HB2 ALA 98 HB2 ALA 98 -9.666 -11.082 -1.368 759 HB3 ALA 98 HB3 ALA 98 -8.408 -10.604 -2.524 760 H GLY 99 H GLY 99 -12.200 -9.182 -4.317 761 HA2 GLY 99 HA2 GLY 99 -14.421 -8.832 -4.048 762 HA3 GLY 99 HA3 GLY 99 -14.542 -10.395 -3.221 763 H LEU 100 H LEU 100 -12.188 -8.052 -2.054 764 HA LEU 100 HA LEU 100 -13.722 -7.743 0.437 765 HB2 LEU 100 HB2 LEU 100 -10.813 -7.232 -0.247 766 HB3 LEU 100 HB3 LEU 100 -11.536 -7.047 1.353 767 HG LEU 100 HG LEU 100 -11.518 -9.703 -0.139 768 HD11 LEU 100 HD11 LEU 100 -9.208 -8.791 0.306 769 HD12 LEU 100 HD12 LEU 100 -9.573 -10.346 1.099 770 HD13 LEU 100 HD13 LEU 100 -9.600 -8.835 2.024 771 HD21 LEU 100 HD21 LEU 100 -11.895 -10.633 2.131 772 HD22 LEU 100 HD22 LEU 100 -13.214 -9.567 1.638 773 HD23 LEU 100 HD23 LEU 100 -11.986 -8.983 2.788 774 HA PRO 101 HA PRO 101 -14.226 -3.435 -0.744 775 HB2 PRO 101 HB2 PRO 101 -15.602 -2.524 1.327 776 HB3 PRO 101 HB3 PRO 101 -16.305 -3.831 0.320 777 HG2 PRO 101 HG2 PRO 101 -14.824 -4.071 2.965 778 HG3 PRO 101 HG3 PRO 101 -16.382 -4.833 2.509 779 HD2 PRO 101 HD2 PRO 101 -13.917 -6.103 2.302 780 HD3 PRO 101 HD3 PRO 101 -15.307 -6.463 1.228 781 H VAL 102 H VAL 102 -13.575 -1.230 -0.074 782 HA VAL 102 HA VAL 102 -11.115 -1.002 1.363 783 HB VAL 102 HB VAL 102 -11.845 1.451 0.506 784 HG11 VAL 102 HG11 VAL 102 -9.918 0.110 -0.265 785 HG12 VAL 102 HG12 VAL 102 -10.982 -0.720 -1.426 786 HG13 VAL 102 HG13 VAL 102 -10.688 1.026 -1.570 787 HG21 VAL 102 HG21 VAL 102 -13.221 1.457 -1.517 788 HG22 VAL 102 HG22 VAL 102 -13.345 -0.279 -1.538 789 HG23 VAL 102 HG23 VAL 102 -14.178 0.645 -0.268 790 H ALA 103 H ALA 103 -11.006 0.957 2.942 791 HA ALA 103 HA ALA 103 -13.290 0.792 4.806 792 HB1 ALA 103 HB1 ALA 103 -11.989 1.919 6.387 793 HB2 ALA 103 HB2 ALA 103 -10.857 0.784 5.623 794 HB3 ALA 103 HB3 ALA 103 -10.842 2.532 5.210 795 H VAL 104 H VAL 104 -14.902 1.754 3.610 796 HA VAL 104 HA VAL 104 -14.540 4.507 2.596 797 HB VAL 104 HB VAL 104 -16.749 3.893 1.351 798 HG11 VAL 104 HG11 VAL 104 -14.038 2.736 0.668 799 HG12 VAL 104 HG12 VAL 104 -15.408 2.790 -0.477 800 HG13 VAL 104 HG13 VAL 104 -14.734 4.286 0.166 801 HG21 VAL 104 HG21 VAL 104 -17.115 1.745 2.629 802 HG22 VAL 104 HG22 VAL 104 -17.218 1.652 0.853 803 HG23 VAL 104 HG23 VAL 104 -15.762 1.058 1.674 804 H ASN 105 H ASN 105 -16.549 5.832 2.726 805 HA ASN 105 HA ASN 105 -17.970 5.443 5.340 806 HB2 ASN 105 HB2 ASN 105 -16.716 7.927 4.129 807 HB3 ASN 105 HB3 ASN 105 -17.989 8.006 5.340 808 HD21 ASN 105 HD21 ASN 105 -17.597 7.013 7.481 809 HD22 ASN 105 HD22 ASN 105 -15.941 7.291 8.067 810 H LYS 106 H LYS 106 -18.211 6.149 1.891 811 HA LYS 106 HA LYS 106 -21.114 6.366 2.229 812 HB2 LYS 106 HB2 LYS 106 -19.884 8.667 2.035 813 HB3 LYS 106 HB3 LYS 106 -19.672 8.249 0.347 814 HG2 LYS 106 HG2 LYS 106 -22.464 7.807 1.162 815 HG3 LYS 106 HG3 LYS 106 -21.934 9.406 1.695 816 HD2 LYS 106 HD2 LYS 106 -21.194 9.964 -0.581 817 HD3 LYS 106 HD3 LYS 106 -21.674 8.374 -1.163 818 HE2 LYS 106 HE2 LYS 106 -23.508 10.514 0.014 819 HE3 LYS 106 HE3 LYS 106 -23.325 10.133 -1.701 820 HZ1 LYS 106 HZ1 LYS 106 -24.177 7.867 -1.124 821 HZ2 LYS 106 HZ2 LYS 106 -25.248 9.104 -0.991 822 HZ3 LYS 106 HZ3 LYS 106 -24.603 8.459 0.368 823 H SER 107 H SER 107 -22.177 6.164 -0.043 824 HA SER 107 HA SER 107 -20.712 4.838 -2.141 825 HB2 SER 107 HB2 SER 107 -22.254 2.815 -2.026 826 HB3 SER 107 HB3 SER 107 -21.002 2.888 -0.798 827 HG SER 107 HG SER 107 -22.670 3.859 0.613 828 H GLN 108 H GLN 108 -22.638 4.080 -3.812 829 HA GLN 108 HA GLN 108 -24.229 6.534 -4.194 830 HB2 GLN 108 HB2 GLN 108 -24.787 5.639 -6.363 831 HB3 GLN 108 HB3 GLN 108 -23.052 5.761 -6.122 832 HG2 GLN 108 HG2 GLN 108 -23.056 3.249 -5.630 833 HG3 GLN 108 HG3 GLN 108 -24.722 3.232 -6.214 834 HE21 GLN 108 HE21 GLN 108 -22.068 2.170 -7.269 835 HE22 GLN 108 HE22 GLN 108 -21.944 2.683 -8.937 Start of MODEL 17 1 H ALA 1 H ALA 1 13.184 -4.216 -9.265 2 HA ALA 1 HA ALA 1 11.745 -3.899 -7.362 3 HB1 ALA 1 HB1 ALA 1 9.688 -4.996 -8.144 4 HB2 ALA 1 HB2 ALA 1 10.597 -4.341 -9.523 5 HB3 ALA 1 HB3 ALA 1 10.633 -6.085 -9.174 6 H LEU 2 H LEU 2 11.169 -4.522 -5.460 7 HA LEU 2 HA LEU 2 12.245 -6.328 -3.753 8 HB2 LEU 2 HB2 LEU 2 9.589 -4.995 -3.572 9 HB3 LEU 2 HB3 LEU 2 10.554 -5.716 -2.276 10 HG LEU 2 HG LEU 2 10.965 -3.417 -2.128 11 HD11 LEU 2 HD11 LEU 2 13.281 -3.318 -2.149 12 HD12 LEU 2 HD12 LEU 2 13.428 -4.322 -3.600 13 HD13 LEU 2 HD13 LEU 2 12.950 -5.017 -2.034 14 HD21 LEU 2 HD21 LEU 2 11.288 -1.869 -3.696 15 HD22 LEU 2 HD22 LEU 2 10.116 -2.909 -4.474 16 HD23 LEU 2 HD23 LEU 2 11.849 -2.987 -4.933 17 H THR 3 H THR 3 8.805 -6.838 -3.691 18 HA THR 3 HA THR 3 8.995 -9.564 -4.785 19 HB THR 3 HB THR 3 7.994 -8.937 -1.976 20 HG1 THR 3 HG1 THR 3 9.899 -9.616 -1.291 21 HG21 THR 3 HG21 THR 3 8.072 -11.427 -1.716 22 HG22 THR 3 HG22 THR 3 8.353 -11.576 -3.464 23 HG23 THR 3 HG23 THR 3 6.830 -10.880 -2.842 24 H THR 4 H THR 4 6.816 -10.486 -5.096 25 HA THR 4 HA THR 4 4.689 -8.449 -5.485 26 HB THR 4 HB THR 4 4.711 -10.835 -7.254 27 HG1 THR 4 HG1 THR 4 6.843 -8.961 -7.469 28 HG21 THR 4 HG21 THR 4 3.361 -8.730 -7.529 29 HG22 THR 4 HG22 THR 4 4.302 -9.205 -8.957 30 HG23 THR 4 HG23 THR 4 4.857 -7.860 -7.915 31 H ILE 5 H ILE 5 2.446 -9.469 -5.306 32 HA ILE 5 HA ILE 5 2.273 -12.107 -4.144 33 HB ILE 5 HB ILE 5 3.082 -11.059 -2.195 34 HG12 ILE 5 HG12 ILE 5 0.120 -10.937 -1.668 35 HG13 ILE 5 HG13 ILE 5 0.987 -12.463 -1.924 36 HG21 ILE 5 HG21 ILE 5 1.118 -8.765 -2.578 37 HG22 ILE 5 HG22 ILE 5 2.272 -8.949 -1.227 38 HG23 ILE 5 HG23 ILE 5 2.867 -8.708 -2.850 39 HD11 ILE 5 HD11 ILE 5 1.623 -10.411 0.244 40 HD12 ILE 5 HD12 ILE 5 0.809 -11.968 0.466 41 HD13 ILE 5 HD13 ILE 5 2.510 -11.918 -0.044 42 H SER 6 H SER 6 0.224 -12.911 -4.274 43 HA SER 6 HA SER 6 -1.646 -11.606 -6.009 44 HB2 SER 6 HB2 SER 6 -1.929 -14.123 -4.309 45 HB3 SER 6 HB3 SER 6 -2.803 -13.761 -5.789 46 HG SER 6 HG SER 6 -1.110 -15.223 -6.094 47 HA PRO 7 HA PRO 7 -4.214 -9.900 -2.810 48 HB2 PRO 7 HB2 PRO 7 -6.785 -10.176 -3.607 49 HB3 PRO 7 HB3 PRO 7 -5.587 -9.221 -4.521 50 HG2 PRO 7 HG2 PRO 7 -6.431 -12.097 -5.049 51 HG3 PRO 7 HG3 PRO 7 -6.384 -10.734 -6.210 52 HD2 PRO 7 HD2 PRO 7 -4.345 -12.508 -5.960 53 HD3 PRO 7 HD3 PRO 7 -4.034 -10.794 -6.331 54 H HIS 8 H HIS 8 -5.882 -10.450 -1.127 55 HA HIS 8 HA HIS 8 -6.751 -11.634 0.535 56 HB2 HIS 8 HB2 HIS 8 -7.696 -13.070 -1.404 57 HB3 HIS 8 HB3 HIS 8 -6.456 -14.231 -0.934 58 HD1 HIS 8 HD1 HIS 8 -9.980 -13.607 -0.301 59 HD2 HIS 8 HD2 HIS 8 -6.621 -14.822 1.962 60 HE1 HIS 8 HE1 HIS 8 -10.888 -14.684 1.814 61 H ASP 9 H ASP 9 -3.865 -13.132 -0.875 62 HA ASP 9 HA ASP 9 -2.890 -14.517 1.406 63 HB2 ASP 9 HB2 ASP 9 -1.443 -13.045 -0.858 64 HB3 ASP 9 HB3 ASP 9 -0.645 -14.121 0.271 65 H ALA 10 H ALA 10 -2.274 -11.216 0.262 66 HA ALA 10 HA ALA 10 -0.665 -10.480 2.481 67 HB1 ALA 10 HB1 ALA 10 -2.209 -8.750 0.520 68 HB2 ALA 10 HB2 ALA 10 -0.906 -8.194 1.604 69 HB3 ALA 10 HB3 ALA 10 -0.552 -9.368 0.319 70 H GLN 11 H GLN 11 -4.226 -10.398 2.146 71 HA GLN 11 HA GLN 11 -4.816 -8.517 4.158 72 HB2 GLN 11 HB2 GLN 11 -6.377 -9.357 2.515 73 HB3 GLN 11 HB3 GLN 11 -6.227 -10.988 3.092 74 HG2 GLN 11 HG2 GLN 11 -7.122 -9.131 5.200 75 HG3 GLN 11 HG3 GLN 11 -8.196 -9.229 3.806 76 HE21 GLN 11 HE21 GLN 11 -6.427 -11.339 6.101 77 HE22 GLN 11 HE22 GLN 11 -7.283 -12.803 5.592 78 H GLU 12 H GLU 12 -3.489 -11.769 4.376 79 HA GLU 12 HA GLU 12 -4.359 -12.314 7.082 80 HB2 GLU 12 HB2 GLU 12 -3.616 -13.829 5.002 81 HB3 GLU 12 HB3 GLU 12 -2.031 -13.725 5.709 82 HG2 GLU 12 HG2 GLU 12 -4.567 -14.641 7.177 83 HG3 GLU 12 HG3 GLU 12 -3.537 -15.711 6.235 84 H LEU 13 H LEU 13 -1.093 -11.761 5.674 85 HA LEU 13 HA LEU 13 0.186 -11.142 8.038 86 HB2 LEU 13 HB2 LEU 13 2.004 -10.198 6.585 87 HB3 LEU 13 HB3 LEU 13 1.434 -11.817 6.216 88 HG LEU 13 HG LEU 13 -0.045 -10.726 4.424 89 HD11 LEU 13 HD11 LEU 13 0.771 -8.763 3.334 90 HD12 LEU 13 HD12 LEU 13 2.124 -8.587 4.475 91 HD13 LEU 13 HD13 LEU 13 0.457 -8.274 4.970 92 HD21 LEU 13 HD21 LEU 13 2.942 -10.798 4.032 93 HD22 LEU 13 HD22 LEU 13 1.713 -10.884 2.758 94 HD23 LEU 13 HD23 LEU 13 1.839 -12.193 3.941 95 H ILE 14 H ILE 14 -1.524 -8.795 5.941 96 HA ILE 14 HA ILE 14 -0.493 -6.489 7.234 97 HB ILE 14 HB ILE 14 -2.324 -7.174 5.181 98 HG12 ILE 14 HG12 ILE 14 -1.620 -4.320 5.643 99 HG13 ILE 14 HG13 ILE 14 -0.301 -5.480 5.426 100 HG21 ILE 14 HG21 ILE 14 -4.240 -6.854 6.465 101 HG22 ILE 14 HG22 ILE 14 -3.691 -5.246 7.004 102 HG23 ILE 14 HG23 ILE 14 -4.121 -5.507 5.304 103 HD11 ILE 14 HD11 ILE 14 -1.204 -6.287 3.334 104 HD12 ILE 14 HD12 ILE 14 -2.604 -5.180 3.473 105 HD13 ILE 14 HD13 ILE 14 -0.964 -4.531 3.270 106 H ALA 15 H ALA 15 -3.403 -8.418 7.951 107 HA ALA 15 HA ALA 15 -4.318 -6.724 10.056 108 HB1 ALA 15 HB1 ALA 15 -5.691 -8.416 8.830 109 HB2 ALA 15 HB2 ALA 15 -4.741 -9.714 9.587 110 HB3 ALA 15 HB3 ALA 15 -5.748 -8.650 10.584 111 H ARG 16 H ARG 16 -1.816 -9.069 9.825 112 HA ARG 16 HA ARG 16 -1.637 -9.637 12.702 113 HB2 ARG 16 HB2 ARG 16 0.271 -10.326 10.447 114 HB3 ARG 16 HB3 ARG 16 0.340 -10.943 12.080 115 HG2 ARG 16 HG2 ARG 16 -2.321 -11.327 10.719 116 HG3 ARG 16 HG3 ARG 16 -0.956 -12.092 9.942 117 HD2 ARG 16 HD2 ARG 16 -0.325 -13.025 12.293 118 HD3 ARG 16 HD3 ARG 16 -1.957 -12.527 12.773 119 HE ARG 16 HE ARG 16 -1.966 -14.094 10.348 120 HH11 ARG 16 HH11 ARG 16 -1.212 -14.506 13.783 121 HH12 ARG 16 HH12 ARG 16 -1.840 -16.116 13.907 122 HH21 ARG 16 HH21 ARG 16 -2.661 -16.275 10.442 123 HH22 ARG 16 HH22 ARG 16 -2.488 -17.211 11.926 124 H GLY 17 H GLY 17 0.343 -7.804 10.300 125 HA2 GLY 17 HA2 GLY 17 1.104 -5.776 12.083 126 HA3 GLY 17 HA3 GLY 17 2.318 -7.033 12.261 127 H ALA 18 H ALA 18 1.637 -7.433 9.061 128 HA ALA 18 HA ALA 18 4.000 -6.046 8.171 129 HB1 ALA 18 HB1 ALA 18 3.141 -6.664 5.911 130 HB2 ALA 18 HB2 ALA 18 3.183 -8.051 7.025 131 HB3 ALA 18 HB3 ALA 18 1.643 -7.227 6.654 132 H LYS 19 H LYS 19 4.140 -3.951 7.186 133 HA LYS 19 HA LYS 19 1.632 -2.332 7.371 134 HB2 LYS 19 HB2 LYS 19 4.497 -1.766 7.931 135 HB3 LYS 19 HB3 LYS 19 3.658 -0.506 7.027 136 HG2 LYS 19 HG2 LYS 19 3.471 -0.080 9.419 137 HG3 LYS 19 HG3 LYS 19 1.885 -0.380 8.685 138 HD2 LYS 19 HD2 LYS 19 2.386 -2.870 9.475 139 HD3 LYS 19 HD3 LYS 19 3.474 -2.080 10.612 140 HE2 LYS 19 HE2 LYS 19 0.457 -1.897 10.240 141 HE3 LYS 19 HE3 LYS 19 1.336 -2.547 11.623 142 HZ1 LYS 19 HZ1 LYS 19 2.135 -0.187 11.961 143 HZ2 LYS 19 HZ2 LYS 19 0.510 -0.499 12.191 144 HZ3 LYS 19 HZ3 LYS 19 0.971 0.249 10.835 145 H LEU 20 H LEU 20 0.709 -1.213 5.668 146 HA LEU 20 HA LEU 20 2.139 -1.525 3.063 147 HB2 LEU 20 HB2 LEU 20 0.363 -2.832 2.702 148 HB3 LEU 20 HB3 LEU 20 -0.645 -2.038 3.824 149 HG LEU 20 HG LEU 20 -0.659 -0.051 2.136 150 HD11 LEU 20 HD11 LEU 20 1.282 -1.054 0.829 151 HD12 LEU 20 HD12 LEU 20 -0.080 -0.343 -0.016 152 HD13 LEU 20 HD13 LEU 20 0.063 -2.123 0.104 153 HD21 LEU 20 HD21 LEU 20 -1.954 -2.719 1.457 154 HD22 LEU 20 HD22 LEU 20 -2.414 -1.141 0.774 155 HD23 LEU 20 HD23 LEU 20 -2.605 -1.446 2.501 156 H ILE 21 H ILE 21 2.288 0.289 1.739 157 HA ILE 21 HA ILE 21 1.866 2.852 3.195 158 HB ILE 21 HB ILE 21 3.808 2.311 0.937 159 HG12 ILE 21 HG12 ILE 21 4.532 0.908 2.775 160 HG13 ILE 21 HG13 ILE 21 5.610 2.275 2.580 161 HG21 ILE 21 HG21 ILE 21 3.635 4.585 2.973 162 HG22 ILE 21 HG22 ILE 21 4.859 4.403 1.694 163 HG23 ILE 21 HG23 ILE 21 3.179 4.716 1.277 164 HD11 ILE 21 HD11 ILE 21 3.409 2.208 4.692 165 HD12 ILE 21 HD12 ILE 21 5.075 1.685 4.963 166 HD13 ILE 21 HD13 ILE 21 4.750 3.367 4.535 167 H ASP 22 H ASP 22 0.970 4.570 2.179 168 HA ASP 22 HA ASP 22 -0.717 4.032 -0.198 169 HB2 ASP 22 HB2 ASP 22 -1.648 4.579 2.163 170 HB3 ASP 22 HB3 ASP 22 -1.012 6.177 1.934 171 H ILE 23 H ILE 23 1.049 4.427 -1.673 172 HA ILE 23 HA ILE 23 2.271 7.144 -1.650 173 HB ILE 23 HB ILE 23 3.902 6.186 -3.187 174 HG12 ILE 23 HG12 ILE 23 2.924 3.361 -2.761 175 HG13 ILE 23 HG13 ILE 23 2.047 4.341 -3.929 176 HG21 ILE 23 HG21 ILE 23 3.711 4.267 -0.849 177 HG22 ILE 23 HG22 ILE 23 5.136 4.701 -1.798 178 HG23 ILE 23 HG23 ILE 23 4.381 5.917 -0.753 179 HD11 ILE 23 HD11 ILE 23 5.026 3.930 -4.037 180 HD12 ILE 23 HD12 ILE 23 3.786 3.051 -4.982 181 HD13 ILE 23 HD13 ILE 23 3.986 4.805 -5.200 182 H ARG 24 H ARG 24 -0.487 6.963 -2.558 183 HA ARG 24 HA ARG 24 -0.190 7.357 -5.509 184 HB2 ARG 24 HB2 ARG 24 -2.883 7.342 -5.192 185 HB3 ARG 24 HB3 ARG 24 -1.932 5.974 -5.700 186 HG2 ARG 24 HG2 ARG 24 -1.983 4.924 -3.627 187 HG3 ARG 24 HG3 ARG 24 -2.374 6.427 -2.792 188 HD2 ARG 24 HD2 ARG 24 -4.635 6.238 -4.304 189 HD3 ARG 24 HD3 ARG 24 -4.292 4.524 -4.050 190 HE ARG 24 HE ARG 24 -4.044 6.189 -1.680 191 HH11 ARG 24 HH11 ARG 24 -6.799 4.485 -3.458 192 HH12 ARG 24 HH12 ARG 24 -7.462 3.990 -1.949 193 HH21 ARG 24 HH21 ARG 24 -5.108 5.372 0.163 194 HH22 ARG 24 HH22 ARG 24 -6.671 4.656 0.014 195 H ASP 25 H ASP 25 -2.732 8.777 -3.371 196 HA ASP 25 HA ASP 25 -1.423 11.344 -3.374 197 HB2 ASP 25 HB2 ASP 25 -2.379 11.024 -5.717 198 HB3 ASP 25 HB3 ASP 25 -3.980 10.963 -4.969 199 H ALA 26 H ALA 26 -2.568 12.773 -2.084 200 HA ALA 26 HA ALA 26 -4.102 11.676 0.079 201 HB1 ALA 26 HB1 ALA 26 -4.256 13.969 0.884 202 HB2 ALA 26 HB2 ALA 26 -2.624 13.715 0.228 203 HB3 ALA 26 HB3 ALA 26 -3.843 14.611 -0.713 204 H ASP 27 H ASP 27 -5.095 12.874 -3.032 205 HA ASP 27 HA ASP 27 -7.815 13.599 -2.289 206 HB2 ASP 27 HB2 ASP 27 -6.354 14.520 -4.206 207 HB3 ASP 27 HB3 ASP 27 -6.738 13.023 -5.068 208 H GLU 28 H GLU 28 -6.107 10.726 -3.497 209 HA GLU 28 HA GLU 28 -8.424 9.277 -4.376 210 HB2 GLU 28 HB2 GLU 28 -5.722 8.302 -3.322 211 HB3 GLU 28 HB3 GLU 28 -6.931 7.240 -4.049 212 HG2 GLU 28 HG2 GLU 28 -5.668 9.637 -5.421 213 HG3 GLU 28 HG3 GLU 28 -5.113 7.985 -5.609 214 H TYR 29 H TYR 29 -6.672 9.523 -1.389 215 HA TYR 29 HA TYR 29 -8.113 7.687 0.292 216 HB2 TYR 29 HB2 TYR 29 -5.902 8.723 0.806 217 HB3 TYR 29 HB3 TYR 29 -6.681 10.282 1.013 218 HD1 TYR 29 HD1 TYR 29 -5.759 7.162 2.633 219 HD2 TYR 29 HD2 TYR 29 -8.359 10.601 2.925 220 HE1 TYR 29 HE1 TYR 29 -6.170 6.659 5.005 221 HE2 TYR 29 HE2 TYR 29 -8.859 10.049 5.252 222 HH TYR 29 HH TYR 29 -8.415 8.646 7.025 223 H LEU 30 H LEU 30 -9.186 10.875 -1.023 224 HA LEU 30 HA LEU 30 -11.087 11.258 1.111 225 HB2 LEU 30 HB2 LEU 30 -9.912 12.801 -0.945 226 HB3 LEU 30 HB3 LEU 30 -11.549 12.573 -1.514 227 HG LEU 30 HG LEU 30 -11.265 14.574 -0.263 228 HD11 LEU 30 HD11 LEU 30 -13.104 14.378 1.393 229 HD12 LEU 30 HD12 LEU 30 -12.918 12.613 1.413 230 HD13 LEU 30 HD13 LEU 30 -13.469 13.430 -0.058 231 HD21 LEU 30 HD21 LEU 30 -9.393 13.725 1.170 232 HD22 LEU 30 HD22 LEU 30 -10.589 12.989 2.243 233 HD23 LEU 30 HD23 LEU 30 -10.567 14.756 2.010 234 H ARG 31 H ARG 31 -11.020 9.773 -2.105 235 HA ARG 31 HA ARG 31 -13.945 9.297 -2.098 236 HB2 ARG 31 HB2 ARG 31 -11.663 8.834 -4.059 237 HB3 ARG 31 HB3 ARG 31 -13.233 8.086 -4.319 238 HG2 ARG 31 HG2 ARG 31 -12.950 11.083 -3.883 239 HG3 ARG 31 HG3 ARG 31 -12.785 10.348 -5.471 240 HD2 ARG 31 HD2 ARG 31 -15.243 9.914 -3.714 241 HD3 ARG 31 HD3 ARG 31 -15.126 11.239 -4.847 242 HE ARG 31 HE ARG 31 -15.739 8.515 -5.409 243 HH11 ARG 31 HH11 ARG 31 -14.228 11.387 -6.856 244 HH12 ARG 31 HH12 ARG 31 -14.463 10.845 -8.490 245 HH21 ARG 31 HH21 ARG 31 -16.288 7.924 -7.593 246 HH22 ARG 31 HH22 ARG 31 -15.881 8.961 -8.896 247 H GLU 32 H GLU 32 -10.976 7.491 -1.488 248 HA GLU 32 HA GLU 32 -12.583 5.149 -0.610 249 HB2 GLU 32 HB2 GLU 32 -10.314 5.037 -2.672 250 HB3 GLU 32 HB3 GLU 32 -11.067 3.643 -1.941 251 HG2 GLU 32 HG2 GLU 32 -13.310 4.579 -2.883 252 HG3 GLU 32 HG3 GLU 32 -12.308 5.617 -3.904 253 H HIS 33 H HIS 33 -10.363 3.418 -0.168 254 HA HIS 33 HA HIS 33 -8.313 4.847 1.283 255 HB2 HIS 33 HB2 HIS 33 -10.356 4.722 2.730 256 HB3 HIS 33 HB3 HIS 33 -10.101 2.958 2.737 257 HD1 HIS 33 HD1 HIS 33 -10.029 5.094 5.237 258 HD2 HIS 33 HD2 HIS 33 -6.714 3.365 3.272 259 HE1 HIS 33 HE1 HIS 33 -8.073 5.149 6.877 260 H ILE 34 H ILE 34 -8.094 1.855 2.645 261 HA ILE 34 HA ILE 34 -7.821 0.053 0.492 262 HB ILE 34 HB ILE 34 -5.838 2.082 0.544 263 HG12 ILE 34 HG12 ILE 34 -6.369 -0.038 -1.148 264 HG13 ILE 34 HG13 ILE 34 -5.399 1.397 -1.384 265 HG21 ILE 34 HG21 ILE 34 -4.423 -0.155 1.915 266 HG22 ILE 34 HG22 ILE 34 -3.799 1.395 1.294 267 HG23 ILE 34 HG23 ILE 34 -4.978 1.367 2.618 268 HD11 ILE 34 HD11 ILE 34 -4.141 -0.506 -2.038 269 HD12 ILE 34 HD12 ILE 34 -3.397 0.224 -0.610 270 HD13 ILE 34 HD13 ILE 34 -4.299 -1.286 -0.464 271 HA PRO 35 HA PRO 35 -7.115 -2.799 3.940 272 HB2 PRO 35 HB2 PRO 35 -5.437 -4.708 2.869 273 HB3 PRO 35 HB3 PRO 35 -7.166 -4.501 2.615 274 HG2 PRO 35 HG2 PRO 35 -4.993 -3.749 0.666 275 HG3 PRO 35 HG3 PRO 35 -6.514 -4.379 0.373 276 HD2 PRO 35 HD2 PRO 35 -6.120 -1.733 0.163 277 HD3 PRO 35 HD3 PRO 35 -7.666 -2.406 0.611 278 H GLU 36 H GLU 36 -6.112 -1.031 5.130 279 HA GLU 36 HA GLU 36 -4.762 -0.358 6.756 280 HB2 GLU 36 HB2 GLU 36 -4.439 -3.030 6.808 281 HB3 GLU 36 HB3 GLU 36 -2.772 -2.559 6.593 282 HG2 GLU 36 HG2 GLU 36 -4.647 -1.619 8.801 283 HG3 GLU 36 HG3 GLU 36 -3.483 -2.924 8.947 284 H ALA 37 H ALA 37 -3.994 1.530 5.837 285 HA ALA 37 HA ALA 37 -1.166 1.437 5.127 286 HB1 ALA 37 HB1 ALA 37 -2.337 1.168 2.968 287 HB2 ALA 37 HB2 ALA 37 -3.075 2.781 3.203 288 HB3 ALA 37 HB3 ALA 37 -1.307 2.589 3.065 289 H ASP 38 H ASP 38 -0.457 3.901 4.695 290 HA ASP 38 HA ASP 38 -2.009 5.811 6.342 291 HB2 ASP 38 HB2 ASP 38 -0.114 4.456 7.639 292 HB3 ASP 38 HB3 ASP 38 0.948 5.557 6.750 293 H LEU 39 H LEU 39 -2.068 7.686 5.239 294 HA LEU 39 HA LEU 39 -1.179 8.077 2.668 295 HB2 LEU 39 HB2 LEU 39 -2.974 9.335 3.660 296 HB3 LEU 39 HB3 LEU 39 -1.858 10.109 4.787 297 HG LEU 39 HG LEU 39 -0.699 11.241 2.904 298 HD11 LEU 39 HD11 LEU 39 -1.739 11.233 0.650 299 HD12 LEU 39 HD12 LEU 39 -2.863 9.956 1.168 300 HD13 LEU 39 HD13 LEU 39 -1.121 9.645 1.080 301 HD21 LEU 39 HD21 LEU 39 -2.453 12.837 2.430 302 HD22 LEU 39 HD22 LEU 39 -2.593 12.296 4.099 303 HD23 LEU 39 HD23 LEU 39 -3.704 11.650 2.872 304 H ALA 40 H ALA 40 0.855 7.907 1.971 305 HA ALA 40 HA ALA 40 2.856 9.844 2.885 306 HB1 ALA 40 HB1 ALA 40 3.251 7.779 4.238 307 HB2 ALA 40 HB2 ALA 40 3.415 6.861 2.734 308 HB3 ALA 40 HB3 ALA 40 4.576 8.157 3.128 309 HA PRO 41 HA PRO 41 2.109 9.266 -1.677 310 HB2 PRO 41 HB2 PRO 41 2.338 11.918 -2.402 311 HB3 PRO 41 HB3 PRO 41 0.830 11.157 -1.811 312 HG2 PRO 41 HG2 PRO 41 2.868 12.749 -0.226 313 HG3 PRO 41 HG3 PRO 41 1.081 12.939 -0.245 314 HD2 PRO 41 HD2 PRO 41 2.327 11.529 1.696 315 HD3 PRO 41 HD3 PRO 41 0.777 10.959 1.019 316 H LEU 42 H LEU 42 3.562 9.904 -3.572 317 HA LEU 42 HA LEU 42 6.204 9.167 -3.012 318 HB2 LEU 42 HB2 LEU 42 4.968 9.069 -5.245 319 HB3 LEU 42 HB3 LEU 42 5.364 10.777 -5.430 320 HG LEU 42 HG LEU 42 7.825 10.155 -5.231 321 HD11 LEU 42 HD11 LEU 42 7.639 7.961 -4.116 322 HD12 LEU 42 HD12 LEU 42 8.401 7.763 -5.694 323 HD13 LEU 42 HD13 LEU 42 6.692 7.325 -5.476 324 HD21 LEU 42 HD21 LEU 42 6.273 8.842 -7.498 325 HD22 LEU 42 HD22 LEU 42 7.986 9.331 -7.529 326 HD23 LEU 42 HD23 LEU 42 6.721 10.560 -7.404 327 H SER 43 H SER 43 4.688 12.311 -2.911 328 HA SER 43 HA SER 43 6.813 14.053 -3.128 329 HB2 SER 43 HB2 SER 43 4.439 14.421 -1.262 330 HB3 SER 43 HB3 SER 43 5.344 15.659 -2.165 331 HG SER 43 HG SER 43 3.722 15.345 -3.483 332 H VAL 44 H VAL 44 5.377 12.820 -0.007 333 HA VAL 44 HA VAL 44 7.569 13.831 1.527 334 HB VAL 44 HB VAL 44 5.296 13.478 2.359 335 HG11 VAL 44 HG11 VAL 44 4.498 11.398 3.221 336 HG12 VAL 44 HG12 VAL 44 4.769 11.252 1.483 337 HG13 VAL 44 HG13 VAL 44 5.933 10.539 2.634 338 HG21 VAL 44 HG21 VAL 44 7.178 13.843 3.903 339 HG22 VAL 44 HG22 VAL 44 5.964 12.775 4.626 340 HG23 VAL 44 HG23 VAL 44 7.466 12.092 3.989 341 H LEU 45 H LEU 45 6.927 10.752 -0.014 342 HA LEU 45 HA LEU 45 8.997 9.175 1.192 343 HB2 LEU 45 HB2 LEU 45 7.732 9.172 -1.557 344 HB3 LEU 45 HB3 LEU 45 9.031 8.091 -1.224 345 HG LEU 45 HG LEU 45 6.406 7.515 -0.957 346 HD11 LEU 45 HD11 LEU 45 8.681 6.321 0.659 347 HD12 LEU 45 HD12 LEU 45 8.211 5.872 -1.005 348 HD13 LEU 45 HD13 LEU 45 7.127 5.517 0.344 349 HD21 LEU 45 HD21 LEU 45 6.064 8.877 1.100 350 HD22 LEU 45 HD22 LEU 45 7.333 7.942 1.942 351 HD23 LEU 45 HD23 LEU 45 5.816 7.169 1.382 352 H GLU 46 H GLU 46 9.128 11.498 -1.501 353 HA GLU 46 HA GLU 46 11.914 11.033 -2.121 354 HB2 GLU 46 HB2 GLU 46 9.690 12.972 -2.851 355 HB3 GLU 46 HB3 GLU 46 11.319 13.444 -3.210 356 HG2 GLU 46 HG2 GLU 46 10.252 10.759 -4.103 357 HG3 GLU 46 HG3 GLU 46 9.953 12.233 -5.001 358 H GLN 47 H GLN 47 10.060 13.444 -0.225 359 HA GLN 47 HA GLN 47 12.392 15.091 0.324 360 HB2 GLN 47 HB2 GLN 47 9.507 15.045 1.268 361 HB3 GLN 47 HB3 GLN 47 10.684 16.214 1.849 362 HG2 GLN 47 HG2 GLN 47 11.037 17.105 -0.391 363 HG3 GLN 47 HG3 GLN 47 10.055 15.828 -1.112 364 HE21 GLN 47 HE21 GLN 47 8.048 16.538 -1.683 365 HE22 GLN 47 HE22 GLN 47 7.099 17.727 -0.781 366 H SER 48 H SER 48 10.971 12.330 1.982 367 HA SER 48 HA SER 48 12.965 12.670 4.145 368 HB2 SER 48 HB2 SER 48 9.941 12.576 4.535 369 HB3 SER 48 HB3 SER 48 11.123 12.346 5.824 370 HG SER 48 HG SER 48 11.794 14.512 4.436 371 H GLY 49 H GLY 49 11.557 10.452 1.961 372 HA2 GLY 49 HA2 GLY 49 11.832 8.186 1.891 373 HA3 GLY 49 HA3 GLY 49 12.795 8.295 3.373 374 H LEU 50 H LEU 50 11.591 6.178 3.820 375 HA LEU 50 HA LEU 50 8.791 6.263 4.336 376 HB2 LEU 50 HB2 LEU 50 9.293 4.215 3.837 377 HB3 LEU 50 HB3 LEU 50 10.976 4.338 4.262 378 HG LEU 50 HG LEU 50 8.964 4.001 6.501 379 HD11 LEU 50 HD11 LEU 50 10.008 1.881 4.611 380 HD12 LEU 50 HD12 LEU 50 8.314 2.374 4.862 381 HD13 LEU 50 HD13 LEU 50 9.209 1.544 6.143 382 HD21 LEU 50 HD21 LEU 50 11.819 2.993 6.037 383 HD22 LEU 50 HD22 LEU 50 10.877 2.833 7.521 384 HD23 LEU 50 HD23 LEU 50 11.412 4.429 6.994 385 HA PRO 51 HA PRO 51 8.867 7.979 8.442 386 HB2 PRO 51 HB2 PRO 51 6.417 7.303 9.349 387 HB3 PRO 51 HB3 PRO 51 6.654 8.502 8.037 388 HG2 PRO 51 HG2 PRO 51 5.924 5.572 7.820 389 HG3 PRO 51 HG3 PRO 51 5.201 6.958 6.942 390 HD2 PRO 51 HD2 PRO 51 7.143 5.325 5.870 391 HD3 PRO 51 HD3 PRO 51 6.990 7.061 5.451 392 H ALA 52 H ALA 52 9.068 7.359 10.656 393 HA ALA 52 HA ALA 52 9.940 4.754 11.260 394 HB1 ALA 52 HB1 ALA 52 9.940 5.461 13.581 395 HB2 ALA 52 HB2 ALA 52 10.511 6.807 12.580 396 HB3 ALA 52 HB3 ALA 52 8.858 6.815 13.228 397 H LYS 53 H LYS 53 6.734 6.268 11.628 398 HA LYS 53 HA LYS 53 5.485 4.237 13.095 399 HB2 LYS 53 HB2 LYS 53 3.411 5.204 12.500 400 HB3 LYS 53 HB3 LYS 53 4.601 6.493 12.676 401 HG2 LYS 53 HG2 LYS 53 4.780 5.944 9.971 402 HG3 LYS 53 HG3 LYS 53 3.079 5.583 10.286 403 HD2 LYS 53 HD2 LYS 53 4.456 8.192 11.022 404 HD3 LYS 53 HD3 LYS 53 3.554 7.900 9.517 405 HE2 LYS 53 HE2 LYS 53 1.641 7.100 11.125 406 HE3 LYS 53 HE3 LYS 53 2.504 8.024 12.363 407 HZ1 LYS 53 HZ1 LYS 53 2.278 9.971 10.849 408 HZ2 LYS 53 HZ2 LYS 53 0.835 9.352 11.307 409 HZ3 LYS 53 HZ3 LYS 53 1.394 9.018 9.811 410 H LEU 54 H LEU 54 6.593 3.899 9.773 411 HA LEU 54 HA LEU 54 5.096 1.335 9.567 412 HB2 LEU 54 HB2 LEU 54 5.634 3.193 7.250 413 HB3 LEU 54 HB3 LEU 54 4.648 1.741 7.234 414 HG LEU 54 HG LEU 54 3.870 4.157 8.858 415 HD11 LEU 54 HD11 LEU 54 4.258 4.619 6.312 416 HD12 LEU 54 HD12 LEU 54 2.933 5.283 7.226 417 HD13 LEU 54 HD13 LEU 54 2.656 3.861 6.173 418 HD21 LEU 54 HD21 LEU 54 2.655 2.097 9.384 419 HD22 LEU 54 HD22 LEU 54 2.165 1.944 7.679 420 HD23 LEU 54 HD23 LEU 54 1.597 3.303 8.670 421 H ARG 55 H ARG 55 7.809 1.967 10.458 422 HA ARG 55 HA ARG 55 9.584 1.196 8.257 423 HB2 ARG 55 HB2 ARG 55 11.350 1.755 9.726 424 HB3 ARG 55 HB3 ARG 55 10.087 2.936 9.990 425 HG2 ARG 55 HG2 ARG 55 10.229 2.459 12.211 426 HG3 ARG 55 HG3 ARG 55 9.466 0.896 11.853 427 HD2 ARG 55 HD2 ARG 55 11.911 0.182 11.234 428 HD3 ARG 55 HD3 ARG 55 12.406 1.618 12.116 429 HE ARG 55 HE ARG 55 10.706 0.305 13.859 430 HH11 ARG 55 HH11 ARG 55 13.415 -0.804 11.841 431 HH12 ARG 55 HH12 ARG 55 14.043 -1.925 12.962 432 HH21 ARG 55 HH21 ARG 55 11.446 -1.344 15.334 433 HH22 ARG 55 HH22 ARG 55 12.736 -2.406 14.829 434 H HIS 56 H HIS 56 7.630 -0.771 9.810 435 HA HIS 56 HA HIS 56 8.818 -2.813 11.086 436 HB2 HIS 56 HB2 HIS 56 6.347 -2.530 10.189 437 HB3 HIS 56 HB3 HIS 56 6.901 -3.503 8.853 438 HD1 HIS 56 HD1 HIS 56 6.980 -3.768 12.773 439 HD2 HIS 56 HD2 HIS 56 6.307 -6.029 9.275 440 HE1 HIS 56 HE1 HIS 56 6.424 -6.096 13.523 441 H GLU 57 H GLU 57 9.749 -4.916 10.555 442 HA GLU 57 HA GLU 57 11.704 -4.827 8.453 443 HB2 GLU 57 HB2 GLU 57 10.865 -6.809 10.546 444 HB3 GLU 57 HB3 GLU 57 11.624 -7.484 9.114 445 HG2 GLU 57 HG2 GLU 57 13.382 -7.122 10.636 446 HG3 GLU 57 HG3 GLU 57 13.548 -5.887 9.389 447 H GLN 58 H GLN 58 8.397 -5.515 8.276 448 HA GLN 58 HA GLN 58 8.664 -6.665 5.572 449 HB2 GLN 58 HB2 GLN 58 6.916 -7.736 7.837 450 HB3 GLN 58 HB3 GLN 58 6.631 -8.076 6.140 451 HG2 GLN 58 HG2 GLN 58 9.225 -8.778 6.190 452 HG3 GLN 58 HG3 GLN 58 8.930 -8.943 7.916 453 HE21 GLN 58 HE21 GLN 58 7.433 -9.810 4.782 454 HE22 GLN 58 HE22 GLN 58 6.839 -11.411 5.239 455 H ILE 59 H ILE 59 7.861 -5.031 4.311 456 HA ILE 59 HA ILE 59 5.262 -3.890 5.111 457 HB ILE 59 HB ILE 59 5.800 -1.923 5.372 458 HG12 ILE 59 HG12 ILE 59 7.276 -1.886 2.796 459 HG13 ILE 59 HG13 ILE 59 5.703 -1.221 3.202 460 HG21 ILE 59 HG21 ILE 59 8.722 -2.620 5.311 461 HG22 ILE 59 HG22 ILE 59 7.974 -1.220 6.093 462 HG23 ILE 59 HG23 ILE 59 7.563 -2.808 6.666 463 HD11 ILE 59 HD11 ILE 59 7.123 0.620 3.048 464 HD12 ILE 59 HD12 ILE 59 6.805 0.334 4.774 465 HD13 ILE 59 HD13 ILE 59 8.365 -0.153 4.060 466 H ILE 60 H ILE 60 4.309 -2.622 3.062 467 HA ILE 60 HA ILE 60 4.746 -4.100 0.549 468 HB ILE 60 HB ILE 60 2.074 -3.778 1.968 469 HG12 ILE 60 HG12 ILE 60 3.925 -6.094 1.713 470 HG13 ILE 60 HG13 ILE 60 2.995 -5.548 3.093 471 HG21 ILE 60 HG21 ILE 60 1.022 -4.981 0.137 472 HG22 ILE 60 HG22 ILE 60 1.753 -3.546 -0.477 473 HG23 ILE 60 HG23 ILE 60 2.569 -5.102 -0.728 474 HD11 ILE 60 HD11 ILE 60 1.897 -7.025 0.671 475 HD12 ILE 60 HD12 ILE 60 2.312 -7.740 2.220 476 HD13 ILE 60 HD13 ILE 60 0.968 -6.577 2.145 477 H PHE 61 H PHE 61 3.794 -2.874 -1.243 478 HA PHE 61 HA PHE 61 3.186 -0.011 -0.725 479 HB2 PHE 61 HB2 PHE 61 5.328 -1.342 -2.391 480 HB3 PHE 61 HB3 PHE 61 4.584 0.135 -3.000 481 HD1 PHE 61 HD1 PHE 61 4.782 2.278 -1.700 482 HD2 PHE 61 HD2 PHE 61 6.811 -1.284 -0.464 483 HE1 PHE 61 HE1 PHE 61 6.283 3.617 -0.231 484 HE2 PHE 61 HE2 PHE 61 8.383 0.063 0.906 485 HZ PHE 61 HZ PHE 61 8.105 2.522 1.038 486 H HIS 62 H HIS 62 1.661 0.888 -2.201 487 HA HIS 62 HA HIS 62 0.610 -0.762 -4.378 488 HB2 HIS 62 HB2 HIS 62 -1.463 -1.052 -3.526 489 HB3 HIS 62 HB3 HIS 62 -0.714 -0.927 -1.954 490 HD1 HIS 62 HD1 HIS 62 -0.878 1.760 -0.863 491 HD2 HIS 62 HD2 HIS 62 -3.157 0.791 -4.301 492 HE1 HIS 62 HE1 HIS 62 -2.663 3.582 -1.140 493 H CYS 63 H CYS 63 -0.749 0.697 -5.848 494 HA CYS 63 HA CYS 63 -0.827 3.507 -5.187 495 HB2 CYS 63 HB2 CYS 63 1.498 3.204 -6.008 496 HB3 CYS 63 HB3 CYS 63 0.839 2.743 -7.606 497 HG CYS 63 HG CYS 63 1.739 5.244 -7.499 498 H GLN 64 H GLN 64 -2.858 3.744 -5.555 499 HA GLN 64 HA GLN 64 -4.924 3.569 -6.272 500 HB2 GLN 64 HB2 GLN 64 -3.763 5.344 -7.695 501 HB3 GLN 64 HB3 GLN 64 -3.896 4.227 -9.041 502 HG2 GLN 64 HG2 GLN 64 -6.449 4.564 -7.524 503 HG3 GLN 64 HG3 GLN 64 -5.820 6.087 -8.089 504 HE21 GLN 64 HE21 GLN 64 -8.186 4.194 -8.917 505 HE22 GLN 64 HE22 GLN 64 -8.049 4.192 -10.664 506 H ALA 65 H ALA 65 -5.239 2.612 -9.406 507 HA ALA 65 HA ALA 65 -5.473 -0.244 -8.753 508 HB1 ALA 65 HB1 ALA 65 -7.506 1.483 -10.215 509 HB2 ALA 65 HB2 ALA 65 -7.593 -0.266 -9.954 510 HB3 ALA 65 HB3 ALA 65 -7.689 0.842 -8.575 511 H GLY 66 H GLY 66 -3.526 -0.553 -9.813 512 HA2 GLY 66 HA2 GLY 66 -2.511 -1.469 -11.729 513 HA3 GLY 66 HA3 GLY 66 -3.733 -0.716 -12.746 514 H LYS 67 H LYS 67 -2.131 1.464 -10.479 515 HA LYS 67 HA LYS 67 -1.112 3.031 -12.614 516 HB2 LYS 67 HB2 LYS 67 -1.760 3.765 -10.274 517 HB3 LYS 67 HB3 LYS 67 -0.178 3.208 -9.725 518 HG2 LYS 67 HG2 LYS 67 -0.291 5.099 -12.080 519 HG3 LYS 67 HG3 LYS 67 -0.736 5.735 -10.501 520 HD2 LYS 67 HD2 LYS 67 1.422 5.067 -9.555 521 HD3 LYS 67 HD3 LYS 67 1.966 4.425 -11.078 522 HE2 LYS 67 HE2 LYS 67 1.125 7.315 -10.637 523 HE3 LYS 67 HE3 LYS 67 2.785 6.728 -10.533 524 HZ1 LYS 67 HZ1 LYS 67 1.091 6.724 -12.960 525 HZ2 LYS 67 HZ2 LYS 67 2.546 5.982 -12.882 526 HZ3 LYS 67 HZ3 LYS 67 2.435 7.607 -12.661 527 H ARG 68 H ARG 68 0.177 0.223 -11.216 528 HA ARG 68 HA ARG 68 1.922 -1.053 -11.706 529 HB2 ARG 68 HB2 ARG 68 1.865 0.641 -13.998 530 HB3 ARG 68 HB3 ARG 68 3.543 0.519 -13.536 531 HG2 ARG 68 HG2 ARG 68 3.099 -1.232 -15.043 532 HG3 ARG 68 HG3 ARG 68 3.260 -1.984 -13.459 533 HD2 ARG 68 HD2 ARG 68 1.339 -3.004 -14.384 534 HD3 ARG 68 HD3 ARG 68 0.634 -1.759 -13.326 535 HE ARG 68 HE ARG 68 0.978 -0.635 -15.904 536 HH11 ARG 68 HH11 ARG 68 -0.986 -3.012 -14.146 537 HH12 ARG 68 HH12 ARG 68 -2.365 -2.876 -15.184 538 HH21 ARG 68 HH21 ARG 68 -0.698 -0.746 -17.507 539 HH22 ARG 68 HH22 ARG 68 -2.185 -1.591 -17.142 540 H THR 69 H THR 69 2.286 -0.625 -9.464 541 HA THR 69 HA THR 69 4.239 1.230 -8.560 542 HB THR 69 HB THR 69 4.523 -0.407 -6.647 543 HG1 THR 69 HG1 THR 69 2.410 -1.784 -7.991 544 HG21 THR 69 HG21 THR 69 2.336 -0.081 -5.693 545 HG22 THR 69 HG22 THR 69 1.652 0.352 -7.283 546 HG23 THR 69 HG23 THR 69 2.880 1.390 -6.515 547 H SER 70 H SER 70 4.527 -1.927 -10.020 548 HA SER 70 HA SER 70 7.185 -2.647 -9.604 549 HB2 SER 70 HB2 SER 70 5.321 -3.985 -10.564 550 HB3 SER 70 HB3 SER 70 5.352 -2.965 -12.011 551 HG SER 70 HG SER 70 7.111 -4.973 -11.191 552 H ASN 71 H ASN 71 5.933 0.018 -11.543 553 HA ASN 71 HA ASN 71 8.261 0.253 -13.290 554 HB2 ASN 71 HB2 ASN 71 5.831 0.794 -13.790 555 HB3 ASN 71 HB3 ASN 71 6.046 2.268 -12.836 556 HD21 ASN 71 HD21 ASN 71 6.508 4.025 -14.207 557 HD22 ASN 71 HD22 ASN 71 7.460 3.853 -15.687 558 H ASN 72 H ASN 72 7.579 1.236 -10.075 559 HA ASN 72 HA ASN 72 9.899 3.090 -10.135 560 HB2 ASN 72 HB2 ASN 72 7.356 3.564 -8.540 561 HB3 ASN 72 HB3 ASN 72 8.799 4.583 -8.562 562 HD21 ASN 72 HD21 ASN 72 9.368 4.719 -11.341 563 HD22 ASN 72 HD22 ASN 72 7.990 5.403 -12.168 564 H ALA 73 H ALA 73 9.000 0.208 -9.249 565 HA ALA 73 HA ALA 73 9.136 -0.042 -6.468 566 HB1 ALA 73 HB1 ALA 73 8.593 -1.882 -7.987 567 HB2 ALA 73 HB2 ALA 73 10.272 -1.911 -8.588 568 HB3 ALA 73 HB3 ALA 73 9.917 -2.345 -6.900 569 H ASP 74 H ASP 74 11.841 0.633 -8.656 570 HA ASP 74 HA ASP 74 13.985 -0.162 -6.956 571 HB2 ASP 74 HB2 ASP 74 13.790 1.961 -9.122 572 HB3 ASP 74 HB3 ASP 74 15.285 1.626 -8.242 573 H LYS 75 H LYS 75 12.234 2.951 -7.137 574 HA LYS 75 HA LYS 75 13.882 4.311 -5.208 575 HB2 LYS 75 HB2 LYS 75 11.210 4.720 -6.520 576 HB3 LYS 75 HB3 LYS 75 11.292 5.378 -4.900 577 HG2 LYS 75 HG2 LYS 75 13.215 6.097 -7.146 578 HG3 LYS 75 HG3 LYS 75 11.810 7.027 -6.612 579 HD2 LYS 75 HD2 LYS 75 12.964 6.870 -4.221 580 HD3 LYS 75 HD3 LYS 75 14.428 6.562 -5.171 581 HE2 LYS 75 HE2 LYS 75 13.899 8.675 -6.495 582 HE3 LYS 75 HE3 LYS 75 12.527 8.942 -5.414 583 HZ1 LYS 75 HZ1 LYS 75 15.384 9.127 -4.795 584 HZ2 LYS 75 HZ2 LYS 75 14.290 8.864 -3.581 585 HZ3 LYS 75 HZ3 LYS 75 14.166 10.202 -4.526 586 H LEU 76 H LEU 76 10.837 2.592 -4.961 587 HA LEU 76 HA LEU 76 10.386 2.843 -2.188 588 HB2 LEU 76 HB2 LEU 76 9.490 0.456 -3.810 589 HB3 LEU 76 HB3 LEU 76 8.722 1.167 -2.387 590 HG LEU 76 HG LEU 76 8.915 2.461 -5.136 591 HD11 LEU 76 HD11 LEU 76 6.498 1.340 -3.706 592 HD12 LEU 76 HD12 LEU 76 7.359 0.549 -5.040 593 HD13 LEU 76 HD13 LEU 76 6.534 2.088 -5.319 594 HD21 LEU 76 HD21 LEU 76 7.501 3.466 -2.640 595 HD22 LEU 76 HD22 LEU 76 7.387 4.185 -4.266 596 HD23 LEU 76 HD23 LEU 76 8.922 4.200 -3.402 597 H ALA 77 H ALA 77 12.467 0.569 -3.936 598 HA ALA 77 HA ALA 77 12.878 -1.302 -1.866 599 HB1 ALA 77 HB1 ALA 77 14.880 -0.451 -4.043 600 HB2 ALA 77 HB2 ALA 77 14.878 -1.958 -3.149 601 HB3 ALA 77 HB3 ALA 77 13.579 -1.611 -4.301 602 H ALA 78 H ALA 78 15.056 1.295 -2.935 603 HA ALA 78 HA ALA 78 16.830 1.211 -0.760 604 HB1 ALA 78 HB1 ALA 78 17.431 3.542 -1.522 605 HB2 ALA 78 HB2 ALA 78 17.371 2.348 -2.829 606 HB3 ALA 78 HB3 ALA 78 16.032 3.509 -2.616 607 H ILE 79 H ILE 79 13.730 2.838 -1.122 608 HA ILE 79 HA ILE 79 13.941 4.548 1.117 609 HB ILE 79 HB ILE 79 11.783 3.523 -0.673 610 HG12 ILE 79 HG12 ILE 79 12.676 6.304 0.206 611 HG13 ILE 79 HG13 ILE 79 13.336 5.424 -1.170 612 HG21 ILE 79 HG21 ILE 79 10.986 5.180 1.728 613 HG22 ILE 79 HG22 ILE 79 9.969 4.575 0.392 614 HG23 ILE 79 HG23 ILE 79 10.628 3.445 1.538 615 HD11 ILE 79 HD11 ILE 79 11.749 7.005 -1.989 616 HD12 ILE 79 HD12 ILE 79 11.033 5.392 -2.199 617 HD13 ILE 79 HD13 ILE 79 10.511 6.454 -0.866 618 H ALA 80 H ALA 80 12.659 1.058 1.019 619 HA ALA 80 HA ALA 80 12.281 1.451 3.957 620 HB1 ALA 80 HB1 ALA 80 10.777 -0.355 3.778 621 HB2 ALA 80 HB2 ALA 80 10.385 0.817 2.500 622 HB3 ALA 80 HB3 ALA 80 11.272 -0.675 2.091 623 H ALA 81 H ALA 81 14.621 -0.015 1.846 624 HA ALA 81 HA ALA 81 15.088 -2.512 3.012 625 HB1 ALA 81 HB1 ALA 81 16.174 -1.777 0.944 626 HB2 ALA 81 HB2 ALA 81 17.060 -0.506 1.827 627 HB3 ALA 81 HB3 ALA 81 17.426 -2.215 2.124 628 HA PRO 82 HA PRO 82 17.093 -3.812 3.678 629 HB2 PRO 82 HB2 PRO 82 17.730 -5.386 5.770 630 HB3 PRO 82 HB3 PRO 82 18.841 -4.140 5.147 631 HG2 PRO 82 HG2 PRO 82 16.931 -3.917 7.504 632 HG3 PRO 82 HG3 PRO 82 18.687 -3.514 7.452 633 HD2 PRO 82 HD2 PRO 82 16.700 -1.647 7.095 634 HD3 PRO 82 HD3 PRO 82 18.279 -1.525 6.259 635 H ALA 83 H ALA 83 14.360 -2.768 5.289 636 HA ALA 83 HA ALA 83 13.143 -5.220 6.070 637 HB1 ALA 83 HB1 ALA 83 11.034 -4.001 5.932 638 HB2 ALA 83 HB2 ALA 83 12.253 -2.964 6.703 639 HB3 ALA 83 HB3 ALA 83 11.776 -2.717 4.999 640 H GLU 84 H GLU 84 11.723 -6.488 4.952 641 HA GLU 84 HA GLU 84 12.222 -6.782 2.061 642 HB2 GLU 84 HB2 GLU 84 10.983 -8.435 4.286 643 HB3 GLU 84 HB3 GLU 84 10.758 -8.905 2.613 644 HG2 GLU 84 HG2 GLU 84 13.468 -8.480 3.942 645 HG3 GLU 84 HG3 GLU 84 12.673 -10.036 3.750 646 H ILE 85 H ILE 85 10.799 -6.032 0.552 647 HA ILE 85 HA ILE 85 8.156 -5.047 1.498 648 HB ILE 85 HB ILE 85 10.414 -3.993 -0.266 649 HG12 ILE 85 HG12 ILE 85 10.081 -1.938 0.742 650 HG13 ILE 85 HG13 ILE 85 8.407 -2.254 1.127 651 HG21 ILE 85 HG21 ILE 85 7.511 -3.194 -0.800 652 HG22 ILE 85 HG22 ILE 85 8.942 -2.308 -1.385 653 HG23 ILE 85 HG23 ILE 85 8.600 -3.941 -1.943 654 HD11 ILE 85 HD11 ILE 85 9.032 -3.700 2.994 655 HD12 ILE 85 HD12 ILE 85 10.761 -3.457 2.604 656 HD13 ILE 85 HD13 ILE 85 9.731 -2.130 3.162 657 H PHE 86 H PHE 86 6.389 -5.035 0.085 658 HA PHE 86 HA PHE 86 6.565 -6.805 -2.260 659 HB2 PHE 86 HB2 PHE 86 4.216 -6.708 -0.338 660 HB3 PHE 86 HB3 PHE 86 4.310 -7.640 -1.796 661 HD1 PHE 86 HD1 PHE 86 5.732 -7.353 1.597 662 HD2 PHE 86 HD2 PHE 86 5.096 -9.875 -1.821 663 HE1 PHE 86 HE1 PHE 86 6.313 -9.250 2.931 664 HE2 PHE 86 HE2 PHE 86 5.830 -11.840 -0.499 665 HZ PHE 86 HZ PHE 86 6.466 -11.573 1.879 666 H LEU 87 H LEU 87 4.677 -6.683 -3.653 667 HA LEU 87 HA LEU 87 3.686 -3.903 -4.034 668 HB2 LEU 87 HB2 LEU 87 4.689 -5.846 -6.149 669 HB3 LEU 87 HB3 LEU 87 3.999 -4.256 -6.449 670 HG LEU 87 HG LEU 87 6.637 -4.807 -5.002 671 HD11 LEU 87 HD11 LEU 87 7.675 -3.921 -7.036 672 HD12 LEU 87 HD12 LEU 87 6.064 -3.707 -7.783 673 HD13 LEU 87 HD13 LEU 87 6.677 -5.329 -7.411 674 HD21 LEU 87 HD21 LEU 87 5.449 -2.164 -5.905 675 HD22 LEU 87 HD22 LEU 87 7.057 -2.397 -5.191 676 HD23 LEU 87 HD23 LEU 87 5.610 -2.696 -4.221 677 H LEU 88 H LEU 88 1.725 -4.308 -3.242 678 HA LEU 88 HA LEU 88 0.047 -6.536 -3.376 679 HB2 LEU 88 HB2 LEU 88 -0.178 -4.361 -2.043 680 HB3 LEU 88 HB3 LEU 88 -0.846 -3.621 -3.480 681 HG LEU 88 HG LEU 88 -2.055 -5.856 -1.804 682 HD11 LEU 88 HD11 LEU 88 -2.171 -3.562 -0.877 683 HD12 LEU 88 HD12 LEU 88 -3.767 -4.209 -1.270 684 HD13 LEU 88 HD13 LEU 88 -3.002 -3.026 -2.346 685 HD21 LEU 88 HD21 LEU 88 -2.851 -6.518 -3.871 686 HD22 LEU 88 HD22 LEU 88 -3.068 -4.850 -4.444 687 HD23 LEU 88 HD23 LEU 88 -4.136 -5.536 -3.195 688 H GLU 89 H GLU 89 -0.914 -7.535 -5.066 689 HA GLU 89 HA GLU 89 -0.712 -7.147 -7.708 690 HB2 GLU 89 HB2 GLU 89 -1.683 -9.145 -6.631 691 HB3 GLU 89 HB3 GLU 89 -3.082 -8.220 -6.120 692 HG2 GLU 89 HG2 GLU 89 -3.844 -9.459 -7.960 693 HG3 GLU 89 HG3 GLU 89 -3.610 -7.850 -8.596 694 H ASP 90 H ASP 90 -0.998 -5.223 -8.781 695 HA ASP 90 HA ASP 90 -1.913 -3.318 -9.620 696 HB2 ASP 90 HB2 ASP 90 -4.342 -5.131 -9.598 697 HB3 ASP 90 HB3 ASP 90 -4.339 -3.519 -10.326 698 H GLY 91 H GLY 91 -2.209 -3.809 -6.539 699 HA2 GLY 91 HA2 GLY 91 -2.644 -2.418 -4.795 700 HA3 GLY 91 HA3 GLY 91 -3.057 -1.127 -5.943 701 H ILE 92 H ILE 92 -5.093 -0.551 -5.995 702 HA ILE 92 HA ILE 92 -7.126 -1.579 -4.247 703 HB ILE 92 HB ILE 92 -6.983 0.422 -6.468 704 HG12 ILE 92 HG12 ILE 92 -5.992 0.614 -4.035 705 HG13 ILE 92 HG13 ILE 92 -6.758 1.993 -4.832 706 HG21 ILE 92 HG21 ILE 92 -9.233 1.270 -5.860 707 HG22 ILE 92 HG22 ILE 92 -9.263 -0.282 -6.691 708 HG23 ILE 92 HG23 ILE 92 -9.515 -0.214 -4.931 709 HD11 ILE 92 HD11 ILE 92 -8.078 0.170 -2.805 710 HD12 ILE 92 HD12 ILE 92 -7.301 1.727 -2.469 711 HD13 ILE 92 HD13 ILE 92 -8.735 1.699 -3.489 712 H ASP 93 H ASP 93 -6.476 -2.208 -7.721 713 HA ASP 93 HA ASP 93 -8.963 -3.568 -8.125 714 HB2 ASP 93 HB2 ASP 93 -7.594 -2.792 -10.000 715 HB3 ASP 93 HB3 ASP 93 -6.325 -3.938 -9.548 716 H GLY 94 H GLY 94 -5.796 -4.694 -6.784 717 HA2 GLY 94 HA2 GLY 94 -6.451 -7.479 -6.781 718 HA3 GLY 94 HA3 GLY 94 -5.203 -6.688 -5.813 719 H TRP 95 H TRP 95 -6.739 -4.843 -4.330 720 HA TRP 95 HA TRP 95 -7.514 -6.414 -2.114 721 HB2 TRP 95 HB2 TRP 95 -7.006 -4.252 -1.813 722 HB3 TRP 95 HB3 TRP 95 -8.305 -3.625 -2.855 723 HD1 TRP 95 HD1 TRP 95 -10.015 -2.586 -1.404 724 HE1 TRP 95 HE1 TRP 95 -11.202 -3.171 0.853 725 HE3 TRP 95 HE3 TRP 95 -7.268 -6.635 0.014 726 HZ2 TRP 95 HZ2 TRP 95 -10.534 -4.704 3.235 727 HZ3 TRP 95 HZ3 TRP 95 -7.378 -7.476 2.340 728 HH2 TRP 95 HH2 TRP 95 -8.966 -6.530 3.951 729 H LYS 96 H LYS 96 -9.546 -4.709 -4.598 730 HA LYS 96 HA LYS 96 -11.965 -5.981 -3.818 731 HB2 LYS 96 HB2 LYS 96 -11.542 -3.768 -5.120 732 HB3 LYS 96 HB3 LYS 96 -11.572 -4.769 -6.566 733 HG2 LYS 96 HG2 LYS 96 -13.860 -5.388 -4.797 734 HG3 LYS 96 HG3 LYS 96 -13.741 -3.657 -5.058 735 HD2 LYS 96 HD2 LYS 96 -15.227 -4.582 -6.699 736 HD3 LYS 96 HD3 LYS 96 -13.753 -4.017 -7.515 737 HE2 LYS 96 HE2 LYS 96 -12.891 -6.356 -7.521 738 HE3 LYS 96 HE3 LYS 96 -14.361 -6.907 -6.707 739 HZ1 LYS 96 HZ1 LYS 96 -15.615 -6.403 -8.623 740 HZ2 LYS 96 HZ2 LYS 96 -14.252 -7.199 -9.130 741 HZ3 LYS 96 HZ3 LYS 96 -14.329 -5.587 -9.342 742 H LYS 97 H LYS 97 -9.412 -7.162 -5.940 743 HA LYS 97 HA LYS 97 -11.001 -8.999 -7.450 744 HB2 LYS 97 HB2 LYS 97 -8.727 -8.384 -8.111 745 HB3 LYS 97 HB3 LYS 97 -8.065 -9.118 -6.646 746 HG2 LYS 97 HG2 LYS 97 -8.685 -11.332 -7.412 747 HG3 LYS 97 HG3 LYS 97 -9.498 -10.654 -8.834 748 HD2 LYS 97 HD2 LYS 97 -6.592 -9.972 -8.407 749 HD3 LYS 97 HD3 LYS 97 -7.000 -11.607 -8.945 750 HE2 LYS 97 HE2 LYS 97 -8.103 -10.823 -10.912 751 HE3 LYS 97 HE3 LYS 97 -8.103 -9.145 -10.336 752 HZ1 LYS 97 HZ1 LYS 97 -6.398 -9.588 -12.021 753 HZ2 LYS 97 HZ2 LYS 97 -5.635 -10.629 -11.000 754 HZ3 LYS 97 HZ3 LYS 97 -5.786 -9.032 -10.599 755 H ALA 98 H ALA 98 -9.851 -9.051 -4.116 756 HA ALA 98 HA ALA 98 -10.550 -11.887 -3.720 757 HB1 ALA 98 HB1 ALA 98 -9.647 -9.705 -1.785 758 HB2 ALA 98 HB2 ALA 98 -9.852 -11.417 -1.382 759 HB3 ALA 98 HB3 ALA 98 -8.601 -10.938 -2.537 760 H GLY 99 H GLY 99 -12.408 -9.185 -4.182 761 HA2 GLY 99 HA2 GLY 99 -14.633 -8.889 -3.892 762 HA3 GLY 99 HA3 GLY 99 -14.676 -10.263 -2.790 763 H LEU 100 H LEU 100 -12.270 -7.997 -1.694 764 HA LEU 100 HA LEU 100 -14.149 -7.096 0.385 765 HB2 LEU 100 HB2 LEU 100 -11.128 -7.061 0.143 766 HB3 LEU 100 HB3 LEU 100 -12.029 -6.351 1.483 767 HG LEU 100 HG LEU 100 -12.149 -9.308 0.748 768 HD11 LEU 100 HD11 LEU 100 -10.646 -9.677 2.606 769 HD12 LEU 100 HD12 LEU 100 -10.656 -7.965 3.023 770 HD13 LEU 100 HD13 LEU 100 -9.895 -8.489 1.505 771 HD21 LEU 100 HD21 LEU 100 -14.136 -8.568 2.010 772 HD22 LEU 100 HD22 LEU 100 -13.097 -7.764 3.214 773 HD23 LEU 100 HD23 LEU 100 -13.086 -9.532 3.056 774 HA PRO 101 HA PRO 101 -13.923 -3.160 -1.808 775 HB2 PRO 101 HB2 PRO 101 -15.673 -1.706 -0.391 776 HB3 PRO 101 HB3 PRO 101 -16.259 -3.183 -1.224 777 HG2 PRO 101 HG2 PRO 101 -15.382 -2.931 1.696 778 HG3 PRO 101 HG3 PRO 101 -16.897 -3.593 1.062 779 HD2 PRO 101 HD2 PRO 101 -14.710 -5.154 1.660 780 HD3 PRO 101 HD3 PRO 101 -15.861 -5.572 0.344 781 H VAL 102 H VAL 102 -13.219 -0.859 -1.289 782 HA VAL 102 HA VAL 102 -11.169 -0.696 0.702 783 HB VAL 102 HB VAL 102 -11.245 1.719 -0.162 784 HG11 VAL 102 HG11 VAL 102 -10.549 1.156 -2.466 785 HG12 VAL 102 HG12 VAL 102 -9.775 0.127 -1.231 786 HG13 VAL 102 HG13 VAL 102 -11.098 -0.505 -2.241 787 HG21 VAL 102 HG21 VAL 102 -13.288 0.746 -2.203 788 HG22 VAL 102 HG22 VAL 102 -13.786 1.569 -0.730 789 HG23 VAL 102 HG23 VAL 102 -12.755 2.373 -1.900 790 H ALA 103 H ALA 103 -11.173 1.258 2.304 791 HA ALA 103 HA ALA 103 -13.685 1.134 3.818 792 HB1 ALA 103 HB1 ALA 103 -11.404 1.185 4.892 793 HB2 ALA 103 HB2 ALA 103 -11.315 2.901 4.417 794 HB3 ALA 103 HB3 ALA 103 -12.591 2.371 5.503 795 H VAL 104 H VAL 104 -15.056 2.050 2.103 796 HA VAL 104 HA VAL 104 -14.710 4.879 1.397 797 HB VAL 104 HB VAL 104 -17.194 4.336 0.456 798 HG11 VAL 104 HG11 VAL 104 -14.550 3.623 -0.796 799 HG12 VAL 104 HG12 VAL 104 -16.090 3.585 -1.679 800 HG13 VAL 104 HG13 VAL 104 -15.516 5.091 -0.963 801 HG21 VAL 104 HG21 VAL 104 -15.981 1.561 0.305 802 HG22 VAL 104 HG22 VAL 104 -17.281 2.034 1.433 803 HG23 VAL 104 HG23 VAL 104 -17.538 2.128 -0.310 804 H ASN 105 H ASN 105 -16.806 6.268 1.622 805 HA ASN 105 HA ASN 105 -18.147 5.924 4.233 806 HB2 ASN 105 HB2 ASN 105 -16.518 8.300 3.240 807 HB3 ASN 105 HB3 ASN 105 -17.712 8.420 4.522 808 HD21 ASN 105 HD21 ASN 105 -14.460 8.224 4.078 809 HD22 ASN 105 HD22 ASN 105 -14.007 7.437 5.577 810 H LYS 106 H LYS 106 -20.329 6.175 3.741 811 HA LYS 106 HA LYS 106 -21.105 7.967 1.496 812 HB2 LYS 106 HB2 LYS 106 -21.625 5.029 1.818 813 HB3 LYS 106 HB3 LYS 106 -23.040 5.996 1.500 814 HG2 LYS 106 HG2 LYS 106 -22.306 5.137 -0.540 815 HG3 LYS 106 HG3 LYS 106 -22.074 6.881 -0.552 816 HD2 LYS 106 HD2 LYS 106 -19.690 6.656 -0.396 817 HD3 LYS 106 HD3 LYS 106 -19.802 4.902 -0.070 818 HE2 LYS 106 HE2 LYS 106 -20.661 4.466 -2.290 819 HE3 LYS 106 HE3 LYS 106 -20.982 6.173 -2.559 820 HZ1 LYS 106 HZ1 LYS 106 -19.111 5.642 -3.779 821 HZ2 LYS 106 HZ2 LYS 106 -18.326 4.885 -2.568 822 HZ3 LYS 106 HZ3 LYS 106 -18.554 6.543 -2.556 823 H SER 107 H SER 107 -23.196 8.771 1.700 824 HA SER 107 HA SER 107 -24.682 8.562 4.255 825 HB2 SER 107 HB2 SER 107 -23.662 11.125 2.966 826 HB3 SER 107 HB3 SER 107 -24.845 11.072 4.283 827 HG SER 107 HG SER 107 -23.315 10.337 5.666 828 H GLN 108 H GLN 108 -24.471 9.446 0.813 829 HA GLN 108 HA GLN 108 -27.364 9.123 0.460 830 HB2 GLN 108 HB2 GLN 108 -27.466 11.010 -1.054 831 HB3 GLN 108 HB3 GLN 108 -26.974 11.539 0.533 832 HG2 GLN 108 HG2 GLN 108 -25.484 12.781 -0.558 833 HG3 GLN 108 HG3 GLN 108 -24.502 11.332 -0.637 834 HE21 GLN 108 HE21 GLN 108 -25.110 9.924 -2.722 835 HE22 GLN 108 HE22 GLN 108 -25.393 10.828 -4.236 Start of MODEL 18 1 H ALA 1 H ALA 1 13.016 -10.683 -3.958 2 HA ALA 1 HA ALA 1 13.407 -7.987 -2.810 3 HB1 ALA 1 HB1 ALA 1 14.392 -9.016 -5.506 4 HB2 ALA 1 HB2 ALA 1 14.411 -7.317 -4.985 5 HB3 ALA 1 HB3 ALA 1 15.399 -8.513 -4.130 6 H LEU 2 H LEU 2 11.705 -6.708 -3.107 7 HA LEU 2 HA LEU 2 9.684 -6.019 -3.593 8 HB2 LEU 2 HB2 LEU 2 10.505 -6.728 -6.430 9 HB3 LEU 2 HB3 LEU 2 9.104 -5.757 -5.987 10 HG LEU 2 HG LEU 2 12.037 -5.037 -5.563 11 HD11 LEU 2 HD11 LEU 2 11.221 -4.890 -7.840 12 HD12 LEU 2 HD12 LEU 2 11.420 -3.247 -7.196 13 HD13 LEU 2 HD13 LEU 2 9.796 -3.990 -7.339 14 HD21 LEU 2 HD21 LEU 2 11.028 -2.762 -4.875 15 HD22 LEU 2 HD22 LEU 2 10.988 -4.049 -3.687 16 HD23 LEU 2 HD23 LEU 2 9.509 -3.642 -4.587 17 H THR 3 H THR 3 9.068 -8.042 -6.276 18 HA THR 3 HA THR 3 7.757 -9.792 -6.702 19 HB THR 3 HB THR 3 7.813 -10.425 -3.733 20 HG1 THR 3 HG1 THR 3 8.998 -12.253 -4.673 21 HG21 THR 3 HG21 THR 3 6.839 -12.570 -4.285 22 HG22 THR 3 HG22 THR 3 6.656 -12.086 -5.994 23 HG23 THR 3 HG23 THR 3 5.731 -11.293 -4.697 24 H THR 4 H THR 4 5.710 -9.932 -7.178 25 HA THR 4 HA THR 4 3.836 -7.922 -6.109 26 HB THR 4 HB THR 4 2.622 -8.713 -8.311 27 HG1 THR 4 HG1 THR 4 3.716 -10.040 -9.448 28 HG21 THR 4 HG21 THR 4 4.007 -7.118 -9.662 29 HG22 THR 4 HG22 THR 4 5.174 -7.039 -8.321 30 HG23 THR 4 HG23 THR 4 3.497 -6.471 -8.100 31 H ILE 5 H ILE 5 2.774 -8.767 -4.437 32 HA ILE 5 HA ILE 5 2.389 -11.684 -4.169 33 HB ILE 5 HB ILE 5 3.102 -10.900 -2.165 34 HG12 ILE 5 HG12 ILE 5 0.147 -10.529 -1.701 35 HG13 ILE 5 HG13 ILE 5 0.938 -12.103 -1.927 36 HG21 ILE 5 HG21 ILE 5 1.384 -8.392 -2.334 37 HG22 ILE 5 HG22 ILE 5 2.532 -8.779 -1.034 38 HG23 ILE 5 HG23 ILE 5 3.137 -8.458 -2.632 39 HD11 ILE 5 HD11 ILE 5 0.728 -11.702 0.438 40 HD12 ILE 5 HD12 ILE 5 2.449 -11.548 0.012 41 HD13 ILE 5 HD13 ILE 5 1.465 -10.097 0.296 42 H SER 6 H SER 6 0.334 -12.661 -4.257 43 HA SER 6 HA SER 6 -1.622 -11.318 -5.916 44 HB2 SER 6 HB2 SER 6 -2.739 -13.622 -5.510 45 HB3 SER 6 HB3 SER 6 -1.161 -13.623 -6.306 46 HG SER 6 HG SER 6 -0.836 -15.083 -4.725 47 HA PRO 7 HA PRO 7 -4.165 -9.986 -2.548 48 HB2 PRO 7 HB2 PRO 7 -6.720 -10.206 -3.382 49 HB3 PRO 7 HB3 PRO 7 -5.548 -9.146 -4.211 50 HG2 PRO 7 HG2 PRO 7 -6.306 -11.973 -5.001 51 HG3 PRO 7 HG3 PRO 7 -6.340 -10.500 -6.023 52 HD2 PRO 7 HD2 PRO 7 -4.194 -12.179 -6.006 53 HD3 PRO 7 HD3 PRO 7 -3.977 -10.412 -6.139 54 H HIS 8 H HIS 8 -6.068 -10.823 -1.072 55 HA HIS 8 HA HIS 8 -6.949 -12.292 0.326 56 HB2 HIS 8 HB2 HIS 8 -7.417 -13.636 -1.821 57 HB3 HIS 8 HB3 HIS 8 -6.103 -14.686 -1.286 58 HD1 HIS 8 HD1 HIS 8 -6.571 -15.686 1.395 59 HD2 HIS 8 HD2 HIS 8 -9.753 -14.286 -0.996 60 HE1 HIS 8 HE1 HIS 8 -8.715 -16.620 2.408 61 H ASP 9 H ASP 9 -3.739 -13.354 -0.850 62 HA ASP 9 HA ASP 9 -2.890 -14.558 1.620 63 HB2 ASP 9 HB2 ASP 9 -1.461 -13.542 -0.865 64 HB3 ASP 9 HB3 ASP 9 -0.533 -13.835 0.584 65 H ALA 10 H ALA 10 -2.277 -11.298 0.248 66 HA ALA 10 HA ALA 10 -0.897 -10.276 2.488 67 HB1 ALA 10 HB1 ALA 10 -0.928 -9.202 0.272 68 HB2 ALA 10 HB2 ALA 10 -2.625 -8.734 0.545 69 HB3 ALA 10 HB3 ALA 10 -1.343 -8.069 1.573 70 H GLN 11 H GLN 11 -4.399 -10.684 2.178 71 HA GLN 11 HA GLN 11 -5.227 -8.814 4.127 72 HB2 GLN 11 HB2 GLN 11 -6.722 -10.189 2.600 73 HB3 GLN 11 HB3 GLN 11 -6.314 -11.618 3.557 74 HG2 GLN 11 HG2 GLN 11 -7.309 -10.598 5.556 75 HG3 GLN 11 HG3 GLN 11 -7.698 -9.144 4.634 76 HE21 GLN 11 HE21 GLN 11 -8.114 -12.722 4.022 77 HE22 GLN 11 HE22 GLN 11 -9.861 -12.651 4.048 78 H GLU 12 H GLU 12 -3.524 -11.886 4.435 79 HA GLU 12 HA GLU 12 -4.197 -12.310 7.209 80 HB2 GLU 12 HB2 GLU 12 -3.462 -13.888 5.089 81 HB3 GLU 12 HB3 GLU 12 -1.909 -13.748 5.881 82 HG2 GLU 12 HG2 GLU 12 -4.537 -14.599 7.205 83 HG3 GLU 12 HG3 GLU 12 -3.344 -15.704 6.532 84 H LEU 13 H LEU 13 -1.028 -11.670 5.540 85 HA LEU 13 HA LEU 13 0.317 -11.038 7.868 86 HB2 LEU 13 HB2 LEU 13 2.034 -9.999 6.356 87 HB3 LEU 13 HB3 LEU 13 1.539 -11.656 6.034 88 HG LEU 13 HG LEU 13 -0.039 -10.718 4.262 89 HD11 LEU 13 HD11 LEU 13 0.190 -8.264 4.790 90 HD12 LEU 13 HD12 LEU 13 0.636 -8.681 3.146 91 HD13 LEU 13 HD13 LEU 13 1.908 -8.383 4.342 92 HD21 LEU 13 HD21 LEU 13 1.741 -10.644 2.575 93 HD22 LEU 13 HD22 LEU 13 1.891 -12.018 3.677 94 HD23 LEU 13 HD23 LEU 13 2.957 -10.599 3.859 95 H ILE 14 H ILE 14 -1.781 -8.845 6.055 96 HA ILE 14 HA ILE 14 -0.800 -6.445 7.284 97 HB ILE 14 HB ILE 14 -2.769 -7.294 5.390 98 HG12 ILE 14 HG12 ILE 14 -2.345 -4.396 5.665 99 HG13 ILE 14 HG13 ILE 14 -0.867 -5.344 5.524 100 HG21 ILE 14 HG21 ILE 14 -4.636 -5.812 5.685 101 HG22 ILE 14 HG22 ILE 14 -4.506 -7.105 6.916 102 HG23 ILE 14 HG23 ILE 14 -4.045 -5.418 7.317 103 HD11 ILE 14 HD11 ILE 14 -1.576 -6.386 3.474 104 HD12 ILE 14 HD12 ILE 14 -3.179 -5.597 3.583 105 HD13 ILE 14 HD13 ILE 14 -1.727 -4.612 3.341 106 H ALA 15 H ALA 15 -3.174 -8.899 8.303 107 HA ALA 15 HA ALA 15 -3.974 -7.358 10.666 108 HB1 ALA 15 HB1 ALA 15 -4.522 -10.245 9.835 109 HB2 ALA 15 HB2 ALA 15 -5.322 -9.352 11.150 110 HB3 ALA 15 HB3 ALA 15 -5.560 -8.844 9.472 111 H ARG 16 H ARG 16 -1.102 -8.752 9.911 112 HA ARG 16 HA ARG 16 -0.655 -9.935 12.626 113 HB2 ARG 16 HB2 ARG 16 0.816 -10.442 10.050 114 HB3 ARG 16 HB3 ARG 16 1.177 -11.173 11.601 115 HG2 ARG 16 HG2 ARG 16 -1.623 -11.472 10.420 116 HG3 ARG 16 HG3 ARG 16 -0.273 -12.391 9.799 117 HD2 ARG 16 HD2 ARG 16 0.125 -12.970 12.371 118 HD3 ARG 16 HD3 ARG 16 -1.597 -12.564 12.492 119 HE ARG 16 HE ARG 16 -1.792 -14.178 10.453 120 HH11 ARG 16 HH11 ARG 16 0.444 -14.757 13.157 121 HH12 ARG 16 HH12 ARG 16 0.635 -16.443 12.744 122 HH21 ARG 16 HH21 ARG 16 -1.291 -16.241 9.863 123 HH22 ARG 16 HH22 ARG 16 -0.410 -17.337 10.917 124 H GLY 17 H GLY 17 0.367 -7.409 10.377 125 HA2 GLY 17 HA2 GLY 17 1.529 -5.649 11.946 126 HA3 GLY 17 HA3 GLY 17 2.801 -6.869 12.002 127 H ALA 18 H ALA 18 1.606 -7.174 8.856 128 HA ALA 18 HA ALA 18 3.928 -5.930 7.751 129 HB1 ALA 18 HB1 ALA 18 2.740 -7.779 6.639 130 HB2 ALA 18 HB2 ALA 18 1.335 -6.711 6.371 131 HB3 ALA 18 HB3 ALA 18 2.884 -6.365 5.576 132 H LYS 19 H LYS 19 4.076 -3.879 6.567 133 HA LYS 19 HA LYS 19 1.823 -2.024 7.093 134 HB2 LYS 19 HB2 LYS 19 4.483 -1.937 8.033 135 HB3 LYS 19 HB3 LYS 19 4.250 -0.538 6.973 136 HG2 LYS 19 HG2 LYS 19 3.745 -0.021 9.297 137 HG3 LYS 19 HG3 LYS 19 2.271 0.119 8.302 138 HD2 LYS 19 HD2 LYS 19 2.700 -2.558 9.455 139 HD3 LYS 19 HD3 LYS 19 2.548 -1.314 10.697 140 HE2 LYS 19 HE2 LYS 19 0.533 -1.794 8.452 141 HE3 LYS 19 HE3 LYS 19 0.449 -2.568 10.017 142 HZ1 LYS 19 HZ1 LYS 19 0.304 0.345 9.539 143 HZ2 LYS 19 HZ2 LYS 19 0.185 -0.404 11.039 144 HZ3 LYS 19 HZ3 LYS 19 -0.918 -0.641 9.859 145 H LEU 20 H LEU 20 0.772 -1.620 5.465 146 HA LEU 20 HA LEU 20 2.008 -1.425 2.781 147 HB2 LEU 20 HB2 LEU 20 -0.259 -2.482 3.371 148 HB3 LEU 20 HB3 LEU 20 -0.860 -0.831 3.464 149 HG LEU 20 HG LEU 20 0.483 -1.922 0.982 150 HD11 LEU 20 HD11 LEU 20 -1.864 -2.316 0.163 151 HD12 LEU 20 HD12 LEU 20 -2.417 -2.060 1.853 152 HD13 LEU 20 HD13 LEU 20 -1.335 -3.396 1.458 153 HD21 LEU 20 HD21 LEU 20 -0.668 0.686 1.636 154 HD22 LEU 20 HD22 LEU 20 -1.456 -0.033 0.258 155 HD23 LEU 20 HD23 LEU 20 0.301 0.178 0.254 156 H ILE 21 H ILE 21 2.401 0.506 1.668 157 HA ILE 21 HA ILE 21 1.644 3.070 3.014 158 HB ILE 21 HB ILE 21 4.031 2.707 1.216 159 HG12 ILE 21 HG12 ILE 21 4.493 1.113 2.998 160 HG13 ILE 21 HG13 ILE 21 5.576 2.482 3.028 161 HG21 ILE 21 HG21 ILE 21 3.356 4.759 3.360 162 HG22 ILE 21 HG22 ILE 21 4.841 4.746 2.376 163 HG23 ILE 21 HG23 ILE 21 3.263 4.999 1.607 164 HD11 ILE 21 HD11 ILE 21 4.485 3.428 4.969 165 HD12 ILE 21 HD12 ILE 21 3.174 2.231 4.887 166 HD13 ILE 21 HD13 ILE 21 4.818 1.716 5.282 167 H ASP 22 H ASP 22 0.302 4.250 1.974 168 HA ASP 22 HA ASP 22 -0.539 3.664 -0.758 169 HB2 ASP 22 HB2 ASP 22 -1.379 5.678 1.374 170 HB3 ASP 22 HB3 ASP 22 -1.966 5.748 -0.266 171 H ILE 23 H ILE 23 1.678 4.156 -1.713 172 HA ILE 23 HA ILE 23 2.533 6.982 -1.586 173 HB ILE 23 HB ILE 23 4.419 6.307 -2.958 174 HG12 ILE 23 HG12 ILE 23 4.583 3.567 -3.018 175 HG13 ILE 23 HG13 ILE 23 2.893 3.760 -3.404 176 HG21 ILE 23 HG21 ILE 23 4.421 6.026 -0.493 177 HG22 ILE 23 HG22 ILE 23 3.927 4.335 -0.699 178 HG23 ILE 23 HG23 ILE 23 5.492 4.887 -1.332 179 HD11 ILE 23 HD11 ILE 23 4.338 3.580 -5.386 180 HD12 ILE 23 HD12 ILE 23 3.516 5.125 -5.382 181 HD13 ILE 23 HD13 ILE 23 5.216 5.052 -4.893 182 H ARG 24 H ARG 24 -0.050 6.612 -2.571 183 HA ARG 24 HA ARG 24 0.113 7.177 -5.477 184 HB2 ARG 24 HB2 ARG 24 -2.507 7.179 -5.190 185 HB3 ARG 24 HB3 ARG 24 -1.617 5.702 -5.281 186 HG2 ARG 24 HG2 ARG 24 -1.813 5.205 -3.006 187 HG3 ARG 24 HG3 ARG 24 -2.104 6.892 -2.563 188 HD2 ARG 24 HD2 ARG 24 -4.320 6.715 -3.868 189 HD3 ARG 24 HD3 ARG 24 -4.082 4.964 -3.792 190 HE ARG 24 HE ARG 24 -3.753 6.375 -1.263 191 HH11 ARG 24 HH11 ARG 24 -6.306 5.023 -3.339 192 HH12 ARG 24 HH12 ARG 24 -7.430 4.811 -2.042 193 HH21 ARG 24 HH21 ARG 24 -5.113 5.629 0.426 194 HH22 ARG 24 HH22 ARG 24 -6.842 5.632 0.108 195 H ASP 25 H ASP 25 -2.419 8.661 -3.494 196 HA ASP 25 HA ASP 25 -1.261 11.318 -3.680 197 HB2 ASP 25 HB2 ASP 25 -2.095 10.735 -5.986 198 HB3 ASP 25 HB3 ASP 25 -3.690 10.442 -5.299 199 H ALA 26 H ALA 26 -2.676 12.841 -2.606 200 HA ALA 26 HA ALA 26 -4.110 11.735 -0.359 201 HB1 ALA 26 HB1 ALA 26 -2.708 13.747 -0.175 202 HB2 ALA 26 HB2 ALA 26 -3.776 14.610 -1.312 203 HB3 ALA 26 HB3 ALA 26 -4.387 14.102 0.269 204 H ASP 27 H ASP 27 -5.214 13.044 -3.504 205 HA ASP 27 HA ASP 27 -7.883 13.671 -2.644 206 HB2 ASP 27 HB2 ASP 27 -6.686 13.044 -5.370 207 HB3 ASP 27 HB3 ASP 27 -8.403 13.250 -5.148 208 H GLU 28 H GLU 28 -6.302 10.652 -3.462 209 HA GLU 28 HA GLU 28 -8.759 9.187 -3.985 210 HB2 GLU 28 HB2 GLU 28 -6.068 8.054 -3.190 211 HB3 GLU 28 HB3 GLU 28 -7.362 7.243 -4.083 212 HG2 GLU 28 HG2 GLU 28 -5.652 9.567 -5.076 213 HG3 GLU 28 HG3 GLU 28 -5.473 7.880 -5.527 214 H TYR 29 H TYR 29 -6.609 9.634 -1.176 215 HA TYR 29 HA TYR 29 -8.007 7.847 0.517 216 HB2 TYR 29 HB2 TYR 29 -5.713 8.496 0.953 217 HB3 TYR 29 HB3 TYR 29 -6.219 10.155 1.268 218 HD1 TYR 29 HD1 TYR 29 -7.438 6.715 2.406 219 HD2 TYR 29 HD2 TYR 29 -6.130 10.668 3.530 220 HE1 TYR 29 HE1 TYR 29 -8.113 6.271 4.740 221 HE2 TYR 29 HE2 TYR 29 -6.820 10.231 5.852 222 HH TYR 29 HH TYR 29 -7.732 8.697 7.344 223 H LEU 30 H LEU 30 -9.053 10.859 -0.677 224 HA LEU 30 HA LEU 30 -10.561 11.813 1.568 225 HB2 LEU 30 HB2 LEU 30 -9.730 13.095 -0.446 226 HB3 LEU 30 HB3 LEU 30 -10.901 12.239 -1.449 227 HG LEU 30 HG LEU 30 -11.864 13.663 0.990 228 HD11 LEU 30 HD11 LEU 30 -10.434 15.333 -0.056 229 HD12 LEU 30 HD12 LEU 30 -12.114 15.748 -0.425 230 HD13 LEU 30 HD13 LEU 30 -11.106 14.954 -1.654 231 HD21 LEU 30 HD21 LEU 30 -13.059 13.282 -1.808 232 HD22 LEU 30 HD22 LEU 30 -13.850 14.154 -0.481 233 HD23 LEU 30 HD23 LEU 30 -13.580 12.423 -0.349 234 H ARG 31 H ARG 31 -11.181 9.755 -1.268 235 HA ARG 31 HA ARG 31 -14.007 9.305 -0.499 236 HB2 ARG 31 HB2 ARG 31 -12.373 8.519 -2.961 237 HB3 ARG 31 HB3 ARG 31 -14.039 8.065 -2.658 238 HG2 ARG 31 HG2 ARG 31 -14.509 10.612 -2.455 239 HG3 ARG 31 HG3 ARG 31 -12.955 10.811 -3.276 240 HD2 ARG 31 HD2 ARG 31 -13.748 9.459 -5.183 241 HD3 ARG 31 HD3 ARG 31 -15.228 9.044 -4.316 242 HE ARG 31 HE ARG 31 -16.135 11.117 -4.664 243 HH11 ARG 31 HH11 ARG 31 -12.928 10.979 -6.228 244 HH12 ARG 31 HH12 ARG 31 -12.842 12.650 -6.572 245 HH21 ARG 31 HH21 ARG 31 -16.237 13.229 -5.533 246 HH22 ARG 31 HH22 ARG 31 -14.831 13.975 -6.245 247 H GLU 32 H GLU 32 -10.992 7.343 -1.043 248 HA GLU 32 HA GLU 32 -12.358 5.101 0.391 249 HB2 GLU 32 HB2 GLU 32 -10.825 5.060 -2.231 250 HB3 GLU 32 HB3 GLU 32 -11.227 3.607 -1.335 251 HG2 GLU 32 HG2 GLU 32 -13.634 4.035 -1.684 252 HG3 GLU 32 HG3 GLU 32 -13.282 5.572 -2.472 253 H HIS 33 H HIS 33 -10.433 3.244 0.346 254 HA HIS 33 HA HIS 33 -7.844 4.291 0.953 255 HB2 HIS 33 HB2 HIS 33 -9.090 4.798 2.990 256 HB3 HIS 33 HB3 HIS 33 -9.488 3.083 3.148 257 HD1 HIS 33 HD1 HIS 33 -5.770 4.159 2.303 258 HD2 HIS 33 HD2 HIS 33 -8.273 2.960 5.529 259 HE1 HIS 33 HE1 HIS 33 -4.317 3.878 4.267 260 H ILE 34 H ILE 34 -7.290 1.794 2.426 261 HA ILE 34 HA ILE 34 -7.857 -0.357 0.472 262 HB ILE 34 HB ILE 34 -5.612 1.406 0.390 263 HG12 ILE 34 HG12 ILE 34 -6.282 -1.027 -1.036 264 HG13 ILE 34 HG13 ILE 34 -5.677 0.532 -1.562 265 HG21 ILE 34 HG21 ILE 34 -4.355 -0.914 1.773 266 HG22 ILE 34 HG22 ILE 34 -3.648 0.578 1.144 267 HG23 ILE 34 HG23 ILE 34 -4.781 0.645 2.487 268 HD11 ILE 34 HD11 ILE 34 -3.986 -1.820 -0.670 269 HD12 ILE 34 HD12 ILE 34 -4.137 -1.116 -2.275 270 HD13 ILE 34 HD13 ILE 34 -3.365 -0.191 -0.982 271 HA PRO 35 HA PRO 35 -7.431 -3.099 4.039 272 HB2 PRO 35 HB2 PRO 35 -5.775 -5.155 3.298 273 HB3 PRO 35 HB3 PRO 35 -7.439 -4.909 2.749 274 HG2 PRO 35 HG2 PRO 35 -4.934 -4.458 1.157 275 HG3 PRO 35 HG3 PRO 35 -6.473 -4.867 0.608 276 HD2 PRO 35 HD2 PRO 35 -5.428 -2.331 0.649 277 HD3 PRO 35 HD3 PRO 35 -7.142 -2.715 0.335 278 H GLU 36 H GLU 36 -6.506 -1.295 5.066 279 HA GLU 36 HA GLU 36 -5.276 -0.341 6.595 280 HB2 GLU 36 HB2 GLU 36 -5.126 -2.834 7.317 281 HB3 GLU 36 HB3 GLU 36 -3.432 -2.703 6.874 282 HG2 GLU 36 HG2 GLU 36 -4.929 -0.896 8.848 283 HG3 GLU 36 HG3 GLU 36 -3.969 -2.300 9.312 284 H ALA 37 H ALA 37 -4.164 1.439 5.867 285 HA ALA 37 HA ALA 37 -1.364 1.111 5.248 286 HB1 ALA 37 HB1 ALA 37 -1.482 2.369 3.130 287 HB2 ALA 37 HB2 ALA 37 -2.367 0.840 3.030 288 HB3 ALA 37 HB3 ALA 37 -3.254 2.356 3.203 289 H ASP 38 H ASP 38 -0.585 3.594 4.756 290 HA ASP 38 HA ASP 38 -2.109 5.448 6.530 291 HB2 ASP 38 HB2 ASP 38 0.090 4.236 7.503 292 HB3 ASP 38 HB3 ASP 38 0.848 5.567 6.615 293 H LEU 39 H LEU 39 -1.647 7.794 6.007 294 HA LEU 39 HA LEU 39 -1.441 8.043 3.118 295 HB2 LEU 39 HB2 LEU 39 -3.108 9.313 4.413 296 HB3 LEU 39 HB3 LEU 39 -1.815 10.138 5.289 297 HG LEU 39 HG LEU 39 -1.031 11.148 3.136 298 HD11 LEU 39 HD11 LEU 39 -3.565 9.898 1.987 299 HD12 LEU 39 HD12 LEU 39 -1.893 9.468 1.537 300 HD13 LEU 39 HD13 LEU 39 -2.509 11.073 1.165 301 HD21 LEU 39 HD21 LEU 39 -3.974 11.621 3.776 302 HD22 LEU 39 HD22 LEU 39 -2.893 12.741 2.923 303 HD23 LEU 39 HD23 LEU 39 -2.599 12.354 4.626 304 H ALA 40 H ALA 40 0.415 8.240 2.053 305 HA ALA 40 HA ALA 40 2.468 10.086 2.844 306 HB1 ALA 40 HB1 ALA 40 3.131 7.112 2.884 307 HB2 ALA 40 HB2 ALA 40 4.277 8.457 3.064 308 HB3 ALA 40 HB3 ALA 40 3.073 8.152 4.317 309 HA PRO 41 HA PRO 41 1.703 9.138 -1.653 310 HB2 PRO 41 HB2 PRO 41 1.830 11.845 -2.461 311 HB3 PRO 41 HB3 PRO 41 0.366 10.868 -2.190 312 HG2 PRO 41 HG2 PRO 41 1.595 12.939 -0.455 313 HG3 PRO 41 HG3 PRO 41 -0.100 12.411 -0.537 314 HD2 PRO 41 HD2 PRO 41 1.696 11.691 1.484 315 HD3 PRO 41 HD3 PRO 41 0.215 10.796 1.064 316 H LEU 42 H LEU 42 3.129 9.612 -3.525 317 HA LEU 42 HA LEU 42 5.792 9.138 -2.956 318 HB2 LEU 42 HB2 LEU 42 4.638 8.717 -5.137 319 HB3 LEU 42 HB3 LEU 42 4.675 10.457 -5.448 320 HG LEU 42 HG LEU 42 7.200 10.383 -5.352 321 HD11 LEU 42 HD11 LEU 42 6.750 7.361 -5.276 322 HD12 LEU 42 HD12 LEU 42 7.556 8.339 -4.025 323 HD13 LEU 42 HD13 LEU 42 8.297 8.164 -5.612 324 HD21 LEU 42 HD21 LEU 42 5.984 10.361 -7.457 325 HD22 LEU 42 HD22 LEU 42 5.834 8.593 -7.381 326 HD23 LEU 42 HD23 LEU 42 7.437 9.353 -7.566 327 H SER 43 H SER 43 4.221 12.344 -3.438 328 HA SER 43 HA SER 43 6.477 13.960 -3.676 329 HB2 SER 43 HB2 SER 43 4.031 14.623 -1.998 330 HB3 SER 43 HB3 SER 43 5.054 15.742 -2.903 331 HG SER 43 HG SER 43 2.953 15.123 -3.815 332 H VAL 44 H VAL 44 4.884 12.749 -0.687 333 HA VAL 44 HA VAL 44 6.665 14.013 1.127 334 HB VAL 44 HB VAL 44 4.924 11.555 1.621 335 HG11 VAL 44 HG11 VAL 44 5.910 13.792 3.446 336 HG12 VAL 44 HG12 VAL 44 4.772 12.518 3.906 337 HG13 VAL 44 HG13 VAL 44 6.425 12.090 3.480 338 HG21 VAL 44 HG21 VAL 44 4.178 14.506 1.544 339 HG22 VAL 44 HG22 VAL 44 3.471 13.190 0.601 340 HG23 VAL 44 HG23 VAL 44 3.185 13.270 2.343 341 H LEU 45 H LEU 45 6.567 10.705 -0.269 342 HA LEU 45 HA LEU 45 8.700 9.578 1.250 343 HB2 LEU 45 HB2 LEU 45 7.718 9.038 -1.580 344 HB3 LEU 45 HB3 LEU 45 8.999 8.126 -0.859 345 HG LEU 45 HG LEU 45 6.328 7.477 -0.836 346 HD11 LEU 45 HD11 LEU 45 8.477 6.507 1.081 347 HD12 LEU 45 HD12 LEU 45 8.169 5.914 -0.580 348 HD13 LEU 45 HD13 LEU 45 6.971 5.649 0.691 349 HD21 LEU 45 HD21 LEU 45 5.705 9.031 0.966 350 HD22 LEU 45 HD22 LEU 45 6.963 8.338 2.029 351 HD23 LEU 45 HD23 LEU 45 5.581 7.362 1.489 352 H GLU 46 H GLU 46 8.742 11.567 -1.700 353 HA GLU 46 HA GLU 46 11.557 11.334 -2.219 354 HB2 GLU 46 HB2 GLU 46 9.179 12.981 -3.184 355 HB3 GLU 46 HB3 GLU 46 10.796 13.345 -3.735 356 HG2 GLU 46 HG2 GLU 46 9.762 10.502 -3.952 357 HG3 GLU 46 HG3 GLU 46 9.277 11.719 -5.119 358 H GLN 47 H GLN 47 9.463 13.480 -0.296 359 HA GLN 47 HA GLN 47 11.436 15.596 -0.066 360 HB2 GLN 47 HB2 GLN 47 8.811 14.905 1.297 361 HB3 GLN 47 HB3 GLN 47 9.854 16.141 1.966 362 HG2 GLN 47 HG2 GLN 47 8.892 16.189 -0.926 363 HG3 GLN 47 HG3 GLN 47 8.058 17.004 0.398 364 HE21 GLN 47 HE21 GLN 47 9.410 18.567 1.698 365 HE22 GLN 47 HE22 GLN 47 10.766 19.380 0.927 366 H SER 48 H SER 48 10.961 12.474 1.536 367 HA SER 48 HA SER 48 13.435 12.927 2.997 368 HB2 SER 48 HB2 SER 48 10.769 13.038 4.383 369 HB3 SER 48 HB3 SER 48 12.157 12.320 5.188 370 HG SER 48 HG SER 48 12.445 14.779 3.863 371 H GLY 49 H GLY 49 10.593 10.660 3.590 372 HA2 GLY 49 HA2 GLY 49 11.335 8.488 2.220 373 HA3 GLY 49 HA3 GLY 49 12.502 8.446 3.557 374 H LEU 50 H LEU 50 11.180 6.347 3.748 375 HA LEU 50 HA LEU 50 8.551 6.255 4.662 376 HB2 LEU 50 HB2 LEU 50 10.047 4.395 3.847 377 HB3 LEU 50 HB3 LEU 50 10.943 4.510 5.360 378 HG LEU 50 HG LEU 50 8.709 3.972 6.565 379 HD11 LEU 50 HD11 LEU 50 7.218 4.455 4.547 380 HD12 LEU 50 HD12 LEU 50 7.021 2.840 5.228 381 HD13 LEU 50 HD13 LEU 50 7.958 3.068 3.738 382 HD21 LEU 50 HD21 LEU 50 10.084 2.066 4.660 383 HD22 LEU 50 HD22 LEU 50 9.044 1.528 5.952 384 HD23 LEU 50 HD23 LEU 50 10.542 2.392 6.340 385 HA PRO 51 HA PRO 51 9.144 7.948 8.834 386 HB2 PRO 51 HB2 PRO 51 6.734 7.197 9.967 387 HB3 PRO 51 HB3 PRO 51 6.943 8.634 8.896 388 HG2 PRO 51 HG2 PRO 51 5.872 5.898 8.271 389 HG3 PRO 51 HG3 PRO 51 5.310 7.479 7.639 390 HD2 PRO 51 HD2 PRO 51 6.912 5.728 6.249 391 HD3 PRO 51 HD3 PRO 51 6.968 7.498 5.997 392 H ALA 52 H ALA 52 9.778 7.100 10.860 393 HA ALA 52 HA ALA 52 10.544 4.461 11.121 394 HB1 ALA 52 HB1 ALA 52 9.818 6.347 13.379 395 HB2 ALA 52 HB2 ALA 52 10.879 4.923 13.482 396 HB3 ALA 52 HB3 ALA 52 11.376 6.320 12.514 397 H LYS 53 H LYS 53 7.415 5.919 12.075 398 HA LYS 53 HA LYS 53 6.291 3.868 13.584 399 HB2 LYS 53 HB2 LYS 53 5.259 6.021 13.419 400 HB3 LYS 53 HB3 LYS 53 5.110 5.928 11.653 401 HG2 LYS 53 HG2 LYS 53 3.428 4.275 11.785 402 HG3 LYS 53 HG3 LYS 53 3.788 3.966 13.496 403 HD2 LYS 53 HD2 LYS 53 2.999 6.299 14.031 404 HD3 LYS 53 HD3 LYS 53 2.417 6.440 12.359 405 HE2 LYS 53 HE2 LYS 53 0.887 4.573 12.657 406 HE3 LYS 53 HE3 LYS 53 1.639 4.124 14.191 407 HZ1 LYS 53 HZ1 LYS 53 0.114 6.614 13.775 408 HZ2 LYS 53 HZ2 LYS 53 0.750 6.090 15.198 409 HZ3 LYS 53 HZ3 LYS 53 -0.482 5.265 14.433 410 H LEU 54 H LEU 54 6.715 4.062 10.091 411 HA LEU 54 HA LEU 54 5.421 1.391 9.751 412 HB2 LEU 54 HB2 LEU 54 5.741 3.489 7.604 413 HB3 LEU 54 HB3 LEU 54 4.707 2.067 7.584 414 HG LEU 54 HG LEU 54 4.256 4.499 9.372 415 HD11 LEU 54 HD11 LEU 54 2.818 3.807 6.804 416 HD12 LEU 54 HD12 LEU 54 4.108 5.016 6.930 417 HD13 LEU 54 HD13 LEU 54 2.606 5.234 7.835 418 HD21 LEU 54 HD21 LEU 54 2.291 2.309 8.622 419 HD22 LEU 54 HD22 LEU 54 2.029 3.639 9.750 420 HD23 LEU 54 HD23 LEU 54 3.175 2.350 10.162 421 H ARG 55 H ARG 55 8.196 1.800 10.488 422 HA ARG 55 HA ARG 55 9.717 1.029 8.068 423 HB2 ARG 55 HB2 ARG 55 11.648 1.694 9.101 424 HB3 ARG 55 HB3 ARG 55 10.477 2.873 9.642 425 HG2 ARG 55 HG2 ARG 55 11.176 2.432 11.763 426 HG3 ARG 55 HG3 ARG 55 10.361 0.871 11.640 427 HD2 ARG 55 HD2 ARG 55 12.630 0.146 10.477 428 HD3 ARG 55 HD3 ARG 55 13.290 1.581 11.254 429 HE ARG 55 HE ARG 55 12.069 0.348 13.324 430 HH11 ARG 55 HH11 ARG 55 14.339 -0.874 10.882 431 HH12 ARG 55 HH12 ARG 55 14.797 -2.285 11.750 432 HH21 ARG 55 HH21 ARG 55 12.698 -1.543 14.570 433 HH22 ARG 55 HH22 ARG 55 13.978 -2.541 13.980 434 H HIS 56 H HIS 56 7.950 -0.624 10.124 435 HA HIS 56 HA HIS 56 9.302 -2.648 11.366 436 HB2 HIS 56 HB2 HIS 56 6.696 -1.942 11.060 437 HB3 HIS 56 HB3 HIS 56 6.724 -3.292 9.977 438 HD1 HIS 56 HD1 HIS 56 6.798 -5.746 11.212 439 HD2 HIS 56 HD2 HIS 56 7.341 -2.355 13.683 440 HE1 HIS 56 HE1 HIS 56 6.830 -6.596 13.593 441 H GLU 57 H GLU 57 9.386 -4.971 10.815 442 HA GLU 57 HA GLU 57 11.151 -5.542 8.806 443 HB2 GLU 57 HB2 GLU 57 9.195 -7.375 10.236 444 HB3 GLU 57 HB3 GLU 57 10.509 -7.947 9.198 445 HG2 GLU 57 HG2 GLU 57 12.080 -6.526 10.638 446 HG3 GLU 57 HG3 GLU 57 10.736 -6.403 11.790 447 H GLN 58 H GLN 58 7.618 -5.837 8.399 448 HA GLN 58 HA GLN 58 8.086 -6.641 5.551 449 HB2 GLN 58 HB2 GLN 58 6.094 -7.633 7.622 450 HB3 GLN 58 HB3 GLN 58 5.597 -7.486 5.934 451 HG2 GLN 58 HG2 GLN 58 7.446 -8.959 5.229 452 HG3 GLN 58 HG3 GLN 58 7.954 -9.136 6.915 453 HE21 GLN 58 HE21 GLN 58 4.663 -9.264 5.297 454 HE22 GLN 58 HE22 GLN 58 4.251 -10.815 6.009 455 H ILE 59 H ILE 59 7.447 -5.008 4.162 456 HA ILE 59 HA ILE 59 5.089 -3.481 4.915 457 HB ILE 59 HB ILE 59 6.012 -1.604 5.320 458 HG12 ILE 59 HG12 ILE 59 7.480 -1.696 2.700 459 HG13 ILE 59 HG13 ILE 59 5.880 -1.033 3.000 460 HG21 ILE 59 HG21 ILE 59 8.820 -2.608 5.015 461 HG22 ILE 59 HG22 ILE 59 8.243 -1.186 5.929 462 HG23 ILE 59 HG23 ILE 59 7.749 -2.790 6.430 463 HD11 ILE 59 HD11 ILE 59 6.830 0.608 4.558 464 HD12 ILE 59 HD12 ILE 59 8.454 0.061 4.090 465 HD13 ILE 59 HD13 ILE 59 7.384 0.786 2.875 466 H ILE 60 H ILE 60 4.184 -2.398 2.999 467 HA ILE 60 HA ILE 60 4.785 -3.824 0.472 468 HB ILE 60 HB ILE 60 1.926 -3.480 1.367 469 HG12 ILE 60 HG12 ILE 60 3.537 -6.015 1.818 470 HG13 ILE 60 HG13 ILE 60 2.835 -4.959 3.059 471 HG21 ILE 60 HG21 ILE 60 3.227 -5.325 -0.694 472 HG22 ILE 60 HG22 ILE 60 1.502 -5.219 -0.394 473 HG23 ILE 60 HG23 ILE 60 2.308 -3.851 -1.077 474 HD11 ILE 60 HD11 ILE 60 1.403 -6.833 1.191 475 HD12 ILE 60 HD12 ILE 60 1.166 -6.561 2.933 476 HD13 ILE 60 HD13 ILE 60 0.574 -5.373 1.755 477 H PHE 61 H PHE 61 3.778 -2.682 -1.296 478 HA PHE 61 HA PHE 61 3.225 0.226 -0.821 479 HB2 PHE 61 HB2 PHE 61 5.281 -1.148 -2.576 480 HB3 PHE 61 HB3 PHE 61 4.617 0.414 -3.057 481 HD1 PHE 61 HD1 PHE 61 4.582 2.242 -1.088 482 HD2 PHE 61 HD2 PHE 61 7.226 -1.129 -1.268 483 HE1 PHE 61 HE1 PHE 61 6.209 3.437 0.367 484 HE2 PHE 61 HE2 PHE 61 8.857 0.076 0.164 485 HZ PHE 61 HZ PHE 61 8.362 2.360 0.974 486 H HIS 62 H HIS 62 1.665 1.136 -2.109 487 HA HIS 62 HA HIS 62 0.618 -0.291 -4.446 488 HB2 HIS 62 HB2 HIS 62 -1.234 -1.032 -3.345 489 HB3 HIS 62 HB3 HIS 62 -0.761 -0.231 -1.878 490 HD1 HIS 62 HD1 HIS 62 -3.019 0.585 -5.005 491 HD2 HIS 62 HD2 HIS 62 -1.779 2.089 -1.273 492 HE1 HIS 62 HE1 HIS 62 -4.445 2.581 -4.553 493 H CYS 63 H CYS 63 -0.378 1.165 -5.890 494 HA CYS 63 HA CYS 63 -0.637 3.928 -5.147 495 HB2 CYS 63 HB2 CYS 63 1.671 4.006 -5.606 496 HB3 CYS 63 HB3 CYS 63 1.518 3.005 -7.082 497 HG CYS 63 HG CYS 63 0.037 4.712 -8.386 498 H GLN 64 H GLN 64 -2.654 4.223 -5.950 499 HA GLN 64 HA GLN 64 -4.462 4.217 -7.282 500 HB2 GLN 64 HB2 GLN 64 -2.536 5.182 -8.825 501 HB3 GLN 64 HB3 GLN 64 -2.689 3.631 -9.636 502 HG2 GLN 64 HG2 GLN 64 -5.305 4.405 -9.690 503 HG3 GLN 64 HG3 GLN 64 -4.531 5.985 -9.572 504 HE21 GLN 64 HE21 GLN 64 -4.620 6.812 -11.682 505 HE22 GLN 64 HE22 GLN 64 -4.168 5.876 -13.112 506 H ALA 65 H ALA 65 -5.019 2.659 -9.654 507 HA ALA 65 HA ALA 65 -5.016 -0.153 -8.697 508 HB1 ALA 65 HB1 ALA 65 -7.249 1.346 -10.144 509 HB2 ALA 65 HB2 ALA 65 -7.305 -0.311 -9.509 510 HB3 ALA 65 HB3 ALA 65 -7.238 1.072 -8.401 511 H GLY 66 H GLY 66 -2.987 0.962 -10.378 512 HA2 GLY 66 HA2 GLY 66 -2.873 -0.724 -12.525 513 HA3 GLY 66 HA3 GLY 66 -3.727 0.666 -13.180 514 H LYS 67 H LYS 67 -1.599 1.864 -10.859 515 HA LYS 67 HA LYS 67 0.114 2.981 -12.851 516 HB2 LYS 67 HB2 LYS 67 -0.699 3.858 -10.457 517 HB3 LYS 67 HB3 LYS 67 0.736 3.037 -9.885 518 HG2 LYS 67 HG2 LYS 67 1.160 5.412 -10.219 519 HG3 LYS 67 HG3 LYS 67 2.143 4.495 -11.335 520 HD2 LYS 67 HD2 LYS 67 1.180 6.501 -12.350 521 HD3 LYS 67 HD3 LYS 67 0.636 5.050 -13.183 522 HE2 LYS 67 HE2 LYS 67 -1.516 5.126 -12.034 523 HE3 LYS 67 HE3 LYS 67 -0.979 6.505 -11.041 524 HZ1 LYS 67 HZ1 LYS 67 -0.889 7.843 -12.965 525 HZ2 LYS 67 HZ2 LYS 67 -2.358 7.070 -13.002 526 HZ3 LYS 67 HZ3 LYS 67 -1.139 6.563 -13.979 527 H ARG 68 H ARG 68 0.286 -0.141 -12.101 528 HA ARG 68 HA ARG 68 1.891 -1.716 -11.747 529 HB2 ARG 68 HB2 ARG 68 3.284 0.029 -13.818 530 HB3 ARG 68 HB3 ARG 68 3.660 -1.649 -13.457 531 HG2 ARG 68 HG2 ARG 68 1.131 -0.568 -14.750 532 HG3 ARG 68 HG3 ARG 68 2.391 -1.576 -15.467 533 HD2 ARG 68 HD2 ARG 68 1.695 -3.326 -13.621 534 HD3 ARG 68 HD3 ARG 68 0.241 -2.334 -13.468 535 HE ARG 68 HE ARG 68 -0.454 -2.936 -15.605 536 HH11 ARG 68 HH11 ARG 68 2.679 -4.559 -14.914 537 HH12 ARG 68 HH12 ARG 68 2.423 -5.745 -16.171 538 HH21 ARG 68 HH21 ARG 68 -0.668 -4.406 -17.208 539 HH22 ARG 68 HH22 ARG 68 0.546 -5.586 -17.587 540 H THR 69 H THR 69 2.216 -1.012 -9.549 541 HA THR 69 HA THR 69 4.092 0.820 -8.598 542 HB THR 69 HB THR 69 3.851 -1.749 -7.099 543 HG1 THR 69 HG1 THR 69 1.764 -1.660 -8.043 544 HG21 THR 69 HG21 THR 69 3.235 -0.211 -5.262 545 HG22 THR 69 HG22 THR 69 3.185 1.153 -6.396 546 HG23 THR 69 HG23 THR 69 4.724 0.334 -6.061 547 H SER 70 H SER 70 4.521 -2.635 -9.547 548 HA SER 70 HA SER 70 7.173 -2.915 -8.865 549 HB2 SER 70 HB2 SER 70 6.940 -4.700 -10.846 550 HB3 SER 70 HB3 SER 70 6.165 -4.897 -9.270 551 HG SER 70 HG SER 70 4.605 -5.279 -10.716 552 H ASN 71 H ASN 71 6.029 -0.828 -11.338 553 HA ASN 71 HA ASN 71 8.294 -1.111 -13.166 554 HB2 ASN 71 HB2 ASN 71 5.842 -0.369 -13.660 555 HB3 ASN 71 HB3 ASN 71 6.325 1.196 -13.020 556 HD21 ASN 71 HD21 ASN 71 6.820 -1.196 -15.569 557 HD22 ASN 71 HD22 ASN 71 7.700 -0.153 -16.673 558 H ASN 72 H ASN 72 7.532 0.775 -10.284 559 HA ASN 72 HA ASN 72 10.146 2.203 -10.549 560 HB2 ASN 72 HB2 ASN 72 7.618 3.525 -9.540 561 HB3 ASN 72 HB3 ASN 72 9.184 4.277 -9.797 562 HD21 ASN 72 HD21 ASN 72 9.713 3.250 -12.483 563 HD22 ASN 72 HD22 ASN 72 8.581 4.020 -13.540 564 H ALA 73 H ALA 73 8.772 -0.106 -8.952 565 HA ALA 73 HA ALA 73 8.798 0.682 -6.209 566 HB1 ALA 73 HB1 ALA 73 8.853 -1.792 -5.818 567 HB2 ALA 73 HB2 ALA 73 7.567 -1.264 -6.905 568 HB3 ALA 73 HB3 ALA 73 9.028 -2.005 -7.583 569 H ASP 74 H ASP 74 11.406 0.018 -8.417 570 HA ASP 74 HA ASP 74 13.399 -1.009 -6.700 571 HB2 ASP 74 HB2 ASP 74 13.457 0.772 -9.139 572 HB3 ASP 74 HB3 ASP 74 14.943 0.513 -8.225 573 H LYS 75 H LYS 75 12.312 2.357 -7.161 574 HA LYS 75 HA LYS 75 14.210 3.558 -5.388 575 HB2 LYS 75 HB2 LYS 75 11.948 4.381 -7.071 576 HB3 LYS 75 HB3 LYS 75 11.729 5.078 -5.480 577 HG2 LYS 75 HG2 LYS 75 14.174 5.419 -7.248 578 HG3 LYS 75 HG3 LYS 75 12.892 6.602 -6.975 579 HD2 LYS 75 HD2 LYS 75 13.475 6.604 -4.516 580 HD3 LYS 75 HD3 LYS 75 14.850 5.551 -4.898 581 HE2 LYS 75 HE2 LYS 75 15.658 7.304 -6.519 582 HE3 LYS 75 HE3 LYS 75 14.384 8.382 -5.934 583 HZ1 LYS 75 HZ1 LYS 75 16.588 8.667 -4.841 584 HZ2 LYS 75 HZ2 LYS 75 16.452 7.163 -4.218 585 HZ3 LYS 75 HZ3 LYS 75 15.411 8.316 -3.740 586 H LEU 76 H LEU 76 10.838 2.524 -5.050 587 HA LEU 76 HA LEU 76 10.388 3.281 -2.362 588 HB2 LEU 76 HB2 LEU 76 9.190 0.870 -3.771 589 HB3 LEU 76 HB3 LEU 76 8.557 1.689 -2.353 590 HG LEU 76 HG LEU 76 8.790 2.933 -5.106 591 HD11 LEU 76 HD11 LEU 76 6.403 2.670 -5.257 592 HD12 LEU 76 HD12 LEU 76 6.312 2.040 -3.595 593 HD13 LEU 76 HD13 LEU 76 7.083 1.088 -4.876 594 HD21 LEU 76 HD21 LEU 76 7.383 4.749 -4.141 595 HD22 LEU 76 HD22 LEU 76 8.952 4.657 -3.356 596 HD23 LEU 76 HD23 LEU 76 7.525 3.992 -2.534 597 H ALA 77 H ALA 77 11.821 0.322 -3.664 598 HA ALA 77 HA ALA 77 11.922 -1.222 -1.300 599 HB1 ALA 77 HB1 ALA 77 13.965 -2.256 -2.449 600 HB2 ALA 77 HB2 ALA 77 12.370 -2.428 -3.154 601 HB3 ALA 77 HB3 ALA 77 13.487 -1.248 -3.850 602 H ALA 78 H ALA 78 14.543 0.790 -2.824 603 HA ALA 78 HA ALA 78 16.351 0.699 -0.677 604 HB1 ALA 78 HB1 ALA 78 15.939 2.919 -2.735 605 HB2 ALA 78 HB2 ALA 78 17.384 2.692 -1.731 606 HB3 ALA 78 HB3 ALA 78 16.956 1.472 -2.943 607 H ILE 79 H ILE 79 13.604 2.833 -1.189 608 HA ILE 79 HA ILE 79 14.181 4.753 0.854 609 HB ILE 79 HB ILE 79 11.877 3.958 -0.875 610 HG12 ILE 79 HG12 ILE 79 13.232 6.602 -0.239 611 HG13 ILE 79 HG13 ILE 79 13.646 5.531 -1.582 612 HG21 ILE 79 HG21 ILE 79 11.417 5.797 1.484 613 HG22 ILE 79 HG22 ILE 79 10.311 5.482 0.121 614 HG23 ILE 79 HG23 ILE 79 10.682 4.183 1.223 615 HD11 ILE 79 HD11 ILE 79 11.290 5.827 -2.447 616 HD12 ILE 79 HD12 ILE 79 11.075 7.099 -1.209 617 HD13 ILE 79 HD13 ILE 79 12.305 7.292 -2.462 618 H ALA 80 H ALA 80 12.722 1.482 1.006 619 HA ALA 80 HA ALA 80 12.101 1.953 3.891 620 HB1 ALA 80 HB1 ALA 80 10.547 0.153 3.533 621 HB2 ALA 80 HB2 ALA 80 10.253 1.459 2.357 622 HB3 ALA 80 HB3 ALA 80 11.096 -0.016 1.844 623 H ALA 81 H ALA 81 14.219 0.052 1.823 624 HA ALA 81 HA ALA 81 14.513 -2.157 3.594 625 HB1 ALA 81 HB1 ALA 81 16.431 -1.053 1.488 626 HB2 ALA 81 HB2 ALA 81 16.494 -2.674 2.214 627 HB3 ALA 81 HB3 ALA 81 15.125 -2.219 1.193 628 HA PRO 82 HA PRO 82 16.396 -3.490 4.467 629 HB2 PRO 82 HB2 PRO 82 17.067 -4.250 6.981 630 HB3 PRO 82 HB3 PRO 82 18.275 -3.737 5.766 631 HG2 PRO 82 HG2 PRO 82 17.027 -2.048 7.964 632 HG3 PRO 82 HG3 PRO 82 18.755 -2.225 7.531 633 HD2 PRO 82 HD2 PRO 82 17.248 -0.153 6.596 634 HD3 PRO 82 HD3 PRO 82 18.507 -0.930 5.578 635 H ALA 83 H ALA 83 14.622 -4.290 4.437 636 HA ALA 83 HA ALA 83 12.811 -5.155 6.309 637 HB1 ALA 83 HB1 ALA 83 12.027 -2.870 6.679 638 HB2 ALA 83 HB2 ALA 83 11.837 -2.623 4.917 639 HB3 ALA 83 HB3 ALA 83 10.802 -3.774 5.787 640 H GLU 84 H GLU 84 10.992 -6.152 5.187 641 HA GLU 84 HA GLU 84 11.717 -7.062 2.462 642 HB2 GLU 84 HB2 GLU 84 9.627 -8.139 4.412 643 HB3 GLU 84 HB3 GLU 84 10.181 -8.876 2.900 644 HG2 GLU 84 HG2 GLU 84 11.712 -8.551 5.484 645 HG3 GLU 84 HG3 GLU 84 11.254 -10.035 4.648 646 H ILE 85 H ILE 85 10.932 -5.787 0.908 647 HA ILE 85 HA ILE 85 8.301 -4.479 1.243 648 HB ILE 85 HB ILE 85 10.915 -3.775 -0.049 649 HG12 ILE 85 HG12 ILE 85 10.348 -1.602 0.649 650 HG13 ILE 85 HG13 ILE 85 8.661 -2.037 0.935 651 HG21 ILE 85 HG21 ILE 85 9.575 -3.905 -2.067 652 HG22 ILE 85 HG22 ILE 85 8.283 -2.962 -1.337 653 HG23 ILE 85 HG23 ILE 85 9.866 -2.212 -1.660 654 HD11 ILE 85 HD11 ILE 85 11.018 -3.108 2.553 655 HD12 ILE 85 HD12 ILE 85 9.927 -1.798 3.055 656 HD13 ILE 85 HD13 ILE 85 9.275 -3.392 2.874 657 H PHE 86 H PHE 86 6.726 -4.693 -0.279 658 HA PHE 86 HA PHE 86 7.031 -6.459 -2.586 659 HB2 PHE 86 HB2 PHE 86 4.880 -6.886 -0.433 660 HB3 PHE 86 HB3 PHE 86 5.149 -7.873 -1.854 661 HD1 PHE 86 HD1 PHE 86 6.379 -7.030 1.536 662 HD2 PHE 86 HD2 PHE 86 6.867 -9.605 -1.878 663 HE1 PHE 86 HE1 PHE 86 7.805 -8.521 2.879 664 HE2 PHE 86 HE2 PHE 86 8.358 -11.063 -0.565 665 HZ PHE 86 HZ PHE 86 8.812 -10.556 1.833 666 H LEU 87 H LEU 87 4.814 -6.623 -3.713 667 HA LEU 87 HA LEU 87 3.439 -3.971 -3.663 668 HB2 LEU 87 HB2 LEU 87 4.192 -5.701 -6.055 669 HB3 LEU 87 HB3 LEU 87 3.142 -4.308 -6.110 670 HG LEU 87 HG LEU 87 5.028 -3.466 -6.937 671 HD11 LEU 87 HD11 LEU 87 4.342 -2.185 -4.800 672 HD12 LEU 87 HD12 LEU 87 5.937 -1.828 -5.486 673 HD13 LEU 87 HD13 LEU 87 5.799 -2.875 -4.076 674 HD21 LEU 87 HD21 LEU 87 6.816 -4.916 -5.007 675 HD22 LEU 87 HD22 LEU 87 7.286 -3.840 -6.352 676 HD23 LEU 87 HD23 LEU 87 6.464 -5.372 -6.690 677 H LEU 88 H LEU 88 1.317 -4.227 -3.195 678 HA LEU 88 HA LEU 88 0.113 -6.859 -3.202 679 HB2 LEU 88 HB2 LEU 88 -0.371 -5.167 -1.470 680 HB3 LEU 88 HB3 LEU 88 -1.103 -4.117 -2.682 681 HG LEU 88 HG LEU 88 -2.910 -5.713 -3.041 682 HD11 LEU 88 HD11 LEU 88 -1.267 -7.560 -1.310 683 HD12 LEU 88 HD12 LEU 88 -1.986 -7.889 -2.894 684 HD13 LEU 88 HD13 LEU 88 -3.016 -7.765 -1.455 685 HD21 LEU 88 HD21 LEU 88 -3.950 -5.625 -0.820 686 HD22 LEU 88 HD22 LEU 88 -2.990 -4.145 -1.055 687 HD23 LEU 88 HD23 LEU 88 -2.366 -5.457 -0.049 688 H GLU 89 H GLU 89 0.069 -7.618 -5.269 689 HA GLU 89 HA GLU 89 -0.480 -7.935 -7.393 690 HB2 GLU 89 HB2 GLU 89 -2.555 -8.447 -6.109 691 HB3 GLU 89 HB3 GLU 89 -3.117 -6.813 -6.415 692 HG2 GLU 89 HG2 GLU 89 -4.277 -8.250 -7.886 693 HG3 GLU 89 HG3 GLU 89 -3.157 -7.324 -8.886 694 H ASP 90 H ASP 90 -2.782 -5.302 -7.669 695 HA ASP 90 HA ASP 90 -0.754 -3.678 -9.014 696 HB2 ASP 90 HB2 ASP 90 -1.976 -5.066 -10.731 697 HB3 ASP 90 HB3 ASP 90 -3.385 -4.054 -10.404 698 H GLY 91 H GLY 91 -0.883 -2.946 -6.820 699 HA2 GLY 91 HA2 GLY 91 -1.204 -1.141 -5.529 700 HA3 GLY 91 HA3 GLY 91 -2.207 -0.408 -6.796 701 H ILE 92 H ILE 92 -4.420 -0.397 -6.441 702 HA ILE 92 HA ILE 92 -5.407 -1.888 -4.062 703 HB ILE 92 HB ILE 92 -5.761 0.466 -3.998 704 HG12 ILE 92 HG12 ILE 92 -8.446 -0.945 -4.294 705 HG13 ILE 92 HG13 ILE 92 -7.290 -1.373 -3.034 706 HG21 ILE 92 HG21 ILE 92 -7.462 1.596 -5.365 707 HG22 ILE 92 HG22 ILE 92 -6.141 1.028 -6.379 708 HG23 ILE 92 HG23 ILE 92 -7.677 0.136 -6.343 709 HD11 ILE 92 HD11 ILE 92 -7.386 1.334 -2.702 710 HD12 ILE 92 HD12 ILE 92 -9.028 0.974 -3.288 711 HD13 ILE 92 HD13 ILE 92 -8.373 0.119 -1.875 712 H ASP 93 H ASP 93 -5.336 -2.203 -7.473 713 HA ASP 93 HA ASP 93 -7.917 -3.252 -7.885 714 HB2 ASP 93 HB2 ASP 93 -6.032 -2.601 -9.564 715 HB3 ASP 93 HB3 ASP 93 -5.504 -4.276 -9.379 716 H GLY 94 H GLY 94 -5.161 -4.617 -6.210 717 HA2 GLY 94 HA2 GLY 94 -5.833 -7.391 -6.337 718 HA3 GLY 94 HA3 GLY 94 -4.814 -6.599 -5.123 719 H TRP 95 H TRP 95 -6.363 -4.950 -3.700 720 HA TRP 95 HA TRP 95 -7.689 -6.530 -1.887 721 HB2 TRP 95 HB2 TRP 95 -7.008 -4.248 -1.491 722 HB3 TRP 95 HB3 TRP 95 -8.352 -3.656 -2.453 723 HD1 TRP 95 HD1 TRP 95 -10.230 -2.904 -0.983 724 HE1 TRP 95 HE1 TRP 95 -11.250 -3.501 1.300 725 HE3 TRP 95 HE3 TRP 95 -7.300 -6.953 0.183 726 HZ2 TRP 95 HZ2 TRP 95 -10.830 -5.453 3.373 727 HZ3 TRP 95 HZ3 TRP 95 -7.623 -8.122 2.344 728 HH2 TRP 95 HH2 TRP 95 -9.377 -7.396 3.938 729 H LYS 96 H LYS 96 -9.052 -4.519 -4.518 730 HA LYS 96 HA LYS 96 -11.774 -5.280 -4.177 731 HB2 LYS 96 HB2 LYS 96 -10.801 -3.242 -5.438 732 HB3 LYS 96 HB3 LYS 96 -10.554 -4.345 -6.809 733 HG2 LYS 96 HG2 LYS 96 -13.028 -4.938 -6.644 734 HG3 LYS 96 HG3 LYS 96 -13.177 -3.716 -5.376 735 HD2 LYS 96 HD2 LYS 96 -12.422 -1.971 -7.031 736 HD3 LYS 96 HD3 LYS 96 -12.314 -3.235 -8.267 737 HE2 LYS 96 HE2 LYS 96 -14.454 -2.200 -8.578 738 HE3 LYS 96 HE3 LYS 96 -14.733 -3.786 -7.848 739 HZ1 LYS 96 HZ1 LYS 96 -14.565 -2.230 -5.686 740 HZ2 LYS 96 HZ2 LYS 96 -15.985 -2.555 -6.443 741 HZ3 LYS 96 HZ3 LYS 96 -15.160 -1.144 -6.739 742 H LYS 97 H LYS 97 -9.171 -6.647 -6.275 743 HA LYS 97 HA LYS 97 -10.744 -8.383 -7.759 744 HB2 LYS 97 HB2 LYS 97 -8.530 -7.926 -8.415 745 HB3 LYS 97 HB3 LYS 97 -7.848 -8.521 -6.895 746 HG2 LYS 97 HG2 LYS 97 -8.408 -10.833 -7.525 747 HG3 LYS 97 HG3 LYS 97 -9.144 -10.231 -9.036 748 HD2 LYS 97 HD2 LYS 97 -7.013 -9.283 -9.743 749 HD3 LYS 97 HD3 LYS 97 -6.230 -9.786 -8.237 750 HE2 LYS 97 HE2 LYS 97 -6.623 -12.143 -8.796 751 HE3 LYS 97 HE3 LYS 97 -7.492 -11.674 -10.267 752 HZ1 LYS 97 HZ1 LYS 97 -5.228 -12.262 -10.769 753 HZ2 LYS 97 HZ2 LYS 97 -4.635 -11.101 -9.734 754 HZ3 LYS 97 HZ3 LYS 97 -5.477 -10.682 -11.086 755 H ALA 98 H ALA 98 -9.643 -8.840 -4.379 756 HA ALA 98 HA ALA 98 -10.450 -11.642 -4.419 757 HB1 ALA 98 HB1 ALA 98 -8.687 -11.043 -2.960 758 HB2 ALA 98 HB2 ALA 98 -9.610 -9.705 -2.242 759 HB3 ALA 98 HB3 ALA 98 -10.065 -11.398 -1.940 760 H GLY 99 H GLY 99 -12.139 -8.654 -4.266 761 HA2 GLY 99 HA2 GLY 99 -14.459 -8.535 -4.499 762 HA3 GLY 99 HA3 GLY 99 -14.663 -10.008 -3.568 763 H LEU 100 H LEU 100 -12.426 -7.791 -2.002 764 HA LEU 100 HA LEU 100 -14.527 -7.321 0.007 765 HB2 LEU 100 HB2 LEU 100 -11.588 -6.646 0.117 766 HB3 LEU 100 HB3 LEU 100 -12.698 -6.693 1.465 767 HG LEU 100 HG LEU 100 -12.796 -9.293 0.179 768 HD11 LEU 100 HD11 LEU 100 -10.551 -8.411 -0.714 769 HD12 LEU 100 HD12 LEU 100 -10.635 -10.004 0.047 770 HD13 LEU 100 HD13 LEU 100 -9.995 -8.624 0.959 771 HD21 LEU 100 HD21 LEU 100 -11.569 -8.354 2.821 772 HD22 LEU 100 HD22 LEU 100 -11.890 -10.036 2.382 773 HD23 LEU 100 HD23 LEU 100 -13.243 -8.908 2.575 774 HA PRO 101 HA PRO 101 -14.625 -2.911 -0.783 775 HB2 PRO 101 HB2 PRO 101 -16.037 -2.014 1.336 776 HB3 PRO 101 HB3 PRO 101 -16.788 -3.194 0.208 777 HG2 PRO 101 HG2 PRO 101 -15.388 -3.736 2.848 778 HG3 PRO 101 HG3 PRO 101 -16.994 -4.283 2.346 779 HD2 PRO 101 HD2 PRO 101 -14.735 -5.845 2.051 780 HD3 PRO 101 HD3 PRO 101 -16.094 -5.919 0.889 781 H VAL 102 H VAL 102 -13.563 -0.959 -0.125 782 HA VAL 102 HA VAL 102 -11.261 -1.188 1.577 783 HB VAL 102 HB VAL 102 -11.093 1.201 0.627 784 HG11 VAL 102 HG11 VAL 102 -11.458 -1.073 -1.395 785 HG12 VAL 102 HG12 VAL 102 -10.618 0.450 -1.681 786 HG13 VAL 102 HG13 VAL 102 -9.974 -0.692 -0.478 787 HG21 VAL 102 HG21 VAL 102 -13.354 0.398 -1.262 788 HG22 VAL 102 HG22 VAL 102 -13.628 1.387 0.177 789 HG23 VAL 102 HG23 VAL 102 -12.548 1.941 -1.117 790 H ALA 103 H ALA 103 -10.888 0.865 3.014 791 HA ALA 103 HA ALA 103 -13.108 1.044 4.898 792 HB1 ALA 103 HB1 ALA 103 -10.395 2.404 4.918 793 HB2 ALA 103 HB2 ALA 103 -11.553 2.372 6.237 794 HB3 ALA 103 HB3 ALA 103 -10.780 0.862 5.706 795 H VAL 104 H VAL 104 -14.671 2.051 3.446 796 HA VAL 104 HA VAL 104 -14.119 4.806 2.513 797 HB VAL 104 HB VAL 104 -16.677 4.510 1.839 798 HG11 VAL 104 HG11 VAL 104 -14.241 3.390 0.514 799 HG12 VAL 104 HG12 VAL 104 -15.832 3.145 -0.246 800 HG13 VAL 104 HG13 VAL 104 -15.243 4.771 0.073 801 HG21 VAL 104 HG21 VAL 104 -15.912 1.575 1.926 802 HG22 VAL 104 HG22 VAL 104 -17.020 2.360 3.083 803 HG23 VAL 104 HG23 VAL 104 -17.427 2.296 1.361 804 H ASN 105 H ASN 105 -15.733 6.526 3.091 805 HA ASN 105 HA ASN 105 -16.012 6.716 5.965 806 HB2 ASN 105 HB2 ASN 105 -15.824 8.795 4.797 807 HB3 ASN 105 HB3 ASN 105 -17.063 8.340 3.621 808 HD21 ASN 105 HD21 ASN 105 -16.734 9.092 7.227 809 HD22 ASN 105 HD22 ASN 105 -18.421 9.566 7.281 810 H LYS 106 H LYS 106 -18.282 6.075 3.261 811 HA LYS 106 HA LYS 106 -20.023 4.438 4.938 812 HB2 LYS 106 HB2 LYS 106 -20.846 6.710 5.363 813 HB3 LYS 106 HB3 LYS 106 -20.843 7.085 3.640 814 HG2 LYS 106 HG2 LYS 106 -22.696 5.549 3.236 815 HG3 LYS 106 HG3 LYS 106 -22.645 4.988 4.920 816 HD2 LYS 106 HD2 LYS 106 -23.187 7.278 5.710 817 HD3 LYS 106 HD3 LYS 106 -23.115 7.876 4.053 818 HE2 LYS 106 HE2 LYS 106 -25.417 7.649 4.656 819 HE3 LYS 106 HE3 LYS 106 -25.036 6.437 3.433 820 HZ1 LYS 106 HZ1 LYS 106 -26.386 5.634 5.250 821 HZ2 LYS 106 HZ2 LYS 106 -25.160 5.875 6.337 822 HZ3 LYS 106 HZ3 LYS 106 -25.031 4.760 5.087 823 H SER 107 H SER 107 -21.211 3.027 3.584 824 HA SER 107 HA SER 107 -20.763 3.196 0.651 825 HB2 SER 107 HB2 SER 107 -19.450 1.398 2.103 826 HB3 SER 107 HB3 SER 107 -21.009 0.562 2.113 827 HG SER 107 HG SER 107 -20.401 -0.140 0.276 828 H GLN 108 H GLN 108 -22.674 1.598 3.278 829 HA GLN 108 HA GLN 108 -25.173 1.993 1.718 830 HB2 GLN 108 HB2 GLN 108 -24.407 0.206 4.069 831 HB3 GLN 108 HB3 GLN 108 -26.087 0.523 3.619 832 HG2 GLN 108 HG2 GLN 108 -25.646 -0.306 1.315 833 HG3 GLN 108 HG3 GLN 108 -23.971 -0.645 1.763 834 HE21 GLN 108 HE21 GLN 108 -27.269 -1.372 3.180 835 HE22 GLN 108 HE22 GLN 108 -26.902 -3.081 3.412 Start of MODEL 19 1 H ALA 1 H ALA 1 15.284 -5.551 -2.552 2 HA ALA 1 HA ALA 1 14.308 -8.244 -3.306 3 HB1 ALA 1 HB1 ALA 1 13.421 -8.451 -1.071 4 HB2 ALA 1 HB2 ALA 1 15.151 -8.096 -0.964 5 HB3 ALA 1 HB3 ALA 1 13.961 -6.820 -0.634 6 H LEU 2 H LEU 2 12.619 -7.994 -4.685 7 HA LEU 2 HA LEU 2 10.374 -6.212 -3.874 8 HB2 LEU 2 HB2 LEU 2 11.674 -6.310 -6.648 9 HB3 LEU 2 HB3 LEU 2 10.072 -5.646 -6.347 10 HG LEU 2 HG LEU 2 12.661 -4.561 -5.173 11 HD11 LEU 2 HD11 LEU 2 12.455 -4.173 -7.614 12 HD12 LEU 2 HD12 LEU 2 12.299 -2.668 -6.711 13 HD13 LEU 2 HD13 LEU 2 10.851 -3.466 -7.379 14 HD21 LEU 2 HD21 LEU 2 9.825 -3.474 -5.021 15 HD22 LEU 2 HD22 LEU 2 11.326 -2.651 -4.514 16 HD23 LEU 2 HD23 LEU 2 10.800 -4.090 -3.668 17 H THR 3 H THR 3 8.790 -7.758 -3.535 18 HA THR 3 HA THR 3 8.421 -9.882 -5.615 19 HB THR 3 HB THR 3 8.213 -9.994 -2.609 20 HG1 THR 3 HG1 THR 3 9.956 -11.193 -2.649 21 HG21 THR 3 HG21 THR 3 6.476 -11.432 -3.375 22 HG22 THR 3 HG22 THR 3 7.815 -12.448 -2.859 23 HG23 THR 3 HG23 THR 3 7.540 -12.180 -4.598 24 H THR 4 H THR 4 6.298 -10.297 -6.187 25 HA THR 4 HA THR 4 4.253 -8.356 -5.265 26 HB THR 4 HB THR 4 4.682 -8.630 -7.697 27 HG1 THR 4 HG1 THR 4 2.756 -7.974 -7.726 28 HG21 THR 4 HG21 THR 4 5.134 -11.076 -7.731 29 HG22 THR 4 HG22 THR 4 3.890 -10.583 -8.894 30 HG23 THR 4 HG23 THR 4 3.435 -11.392 -7.376 31 H ILE 5 H ILE 5 2.149 -9.133 -4.493 32 HA ILE 5 HA ILE 5 2.032 -11.963 -3.693 33 HB ILE 5 HB ILE 5 3.221 -11.127 -1.902 34 HG12 ILE 5 HG12 ILE 5 0.514 -10.783 -0.633 35 HG13 ILE 5 HG13 ILE 5 0.897 -12.320 -1.399 36 HG21 ILE 5 HG21 ILE 5 1.383 -8.712 -1.715 37 HG22 ILE 5 HG22 ILE 5 2.704 -9.117 -0.579 38 HG23 ILE 5 HG23 ILE 5 3.077 -8.731 -2.252 39 HD11 ILE 5 HD11 ILE 5 1.474 -12.315 1.002 40 HD12 ILE 5 HD12 ILE 5 2.865 -12.638 -0.046 41 HD13 ILE 5 HD13 ILE 5 2.674 -11.039 0.696 42 H SER 6 H SER 6 -0.019 -12.736 -3.389 43 HA SER 6 HA SER 6 -2.039 -11.375 -4.859 44 HB2 SER 6 HB2 SER 6 -3.338 -13.391 -4.419 45 HB3 SER 6 HB3 SER 6 -1.673 -13.857 -4.727 46 HG SER 6 HG SER 6 -1.948 -14.914 -2.970 47 HA PRO 7 HA PRO 7 -4.041 -9.101 -1.678 48 HB2 PRO 7 HB2 PRO 7 -6.675 -9.114 -2.360 49 HB3 PRO 7 HB3 PRO 7 -5.407 -8.338 -3.361 50 HG2 PRO 7 HG2 PRO 7 -6.608 -11.107 -3.727 51 HG3 PRO 7 HG3 PRO 7 -6.406 -9.835 -4.970 52 HD2 PRO 7 HD2 PRO 7 -4.619 -11.815 -4.692 53 HD3 PRO 7 HD3 PRO 7 -4.103 -10.170 -5.115 54 H HIS 8 H HIS 8 -4.845 -12.340 -2.205 55 HA HIS 8 HA HIS 8 -6.663 -12.863 -0.018 56 HB2 HIS 8 HB2 HIS 8 -6.589 -14.097 -2.156 57 HB3 HIS 8 HB3 HIS 8 -4.965 -14.675 -1.776 58 HD1 HIS 8 HD1 HIS 8 -7.262 -14.930 1.224 59 HD2 HIS 8 HD2 HIS 8 -6.261 -17.081 -2.264 60 HE1 HIS 8 HE1 HIS 8 -8.237 -17.260 1.493 61 H ASP 9 H ASP 9 -3.181 -13.439 -0.699 62 HA ASP 9 HA ASP 9 -2.588 -14.535 1.928 63 HB2 ASP 9 HB2 ASP 9 -0.886 -13.382 -0.325 64 HB3 ASP 9 HB3 ASP 9 -0.206 -13.906 1.211 65 H ALA 10 H ALA 10 -2.293 -11.393 0.251 66 HA ALA 10 HA ALA 10 -0.999 -10.035 2.333 67 HB1 ALA 10 HB1 ALA 10 -1.853 -7.963 1.117 68 HB2 ALA 10 HB2 ALA 10 -1.132 -9.148 0.006 69 HB3 ALA 10 HB3 ALA 10 -2.899 -9.032 0.147 70 H GLN 11 H GLN 11 -4.511 -10.463 1.807 71 HA GLN 11 HA GLN 11 -5.487 -8.684 3.751 72 HB2 GLN 11 HB2 GLN 11 -6.860 -9.864 2.159 73 HB3 GLN 11 HB3 GLN 11 -6.385 -11.442 2.774 74 HG2 GLN 11 HG2 GLN 11 -7.742 -9.501 4.611 75 HG3 GLN 11 HG3 GLN 11 -8.698 -10.292 3.349 76 HE21 GLN 11 HE21 GLN 11 -10.026 -11.388 5.094 77 HE22 GLN 11 HE22 GLN 11 -9.288 -12.692 5.993 78 H GLU 12 H GLU 12 -3.703 -11.686 4.150 79 HA GLU 12 HA GLU 12 -4.602 -12.142 6.863 80 HB2 GLU 12 HB2 GLU 12 -3.911 -13.837 4.947 81 HB3 GLU 12 HB3 GLU 12 -2.257 -13.539 5.527 82 HG2 GLU 12 HG2 GLU 12 -3.228 -13.935 7.864 83 HG3 GLU 12 HG3 GLU 12 -4.655 -14.578 7.050 84 H LEU 13 H LEU 13 -1.360 -11.664 5.428 85 HA LEU 13 HA LEU 13 -0.013 -11.101 7.796 86 HB2 LEU 13 HB2 LEU 13 1.777 -10.135 6.364 87 HB3 LEU 13 HB3 LEU 13 1.165 -11.721 5.916 88 HG LEU 13 HG LEU 13 -0.270 -10.587 4.177 89 HD11 LEU 13 HD11 LEU 13 0.147 -8.158 4.856 90 HD12 LEU 13 HD12 LEU 13 0.472 -8.568 3.209 91 HD13 LEU 13 HD13 LEU 13 1.824 -8.394 4.368 92 HD21 LEU 13 HD21 LEU 13 1.619 -11.985 3.617 93 HD22 LEU 13 HD22 LEU 13 2.752 -10.647 3.915 94 HD23 LEU 13 HD23 LEU 13 1.593 -10.548 2.576 95 H ILE 14 H ILE 14 -1.790 -8.748 5.805 96 HA ILE 14 HA ILE 14 -0.839 -6.408 7.117 97 HB ILE 14 HB ILE 14 -2.751 -7.192 5.134 98 HG12 ILE 14 HG12 ILE 14 -2.065 -4.327 5.450 99 HG13 ILE 14 HG13 ILE 14 -0.748 -5.474 5.177 100 HG21 ILE 14 HG21 ILE 14 -4.043 -5.381 7.097 101 HG22 ILE 14 HG22 ILE 14 -4.535 -5.518 5.385 102 HG23 ILE 14 HG23 ILE 14 -4.591 -6.939 6.447 103 HD11 ILE 14 HD11 ILE 14 -1.807 -6.367 3.176 104 HD12 ILE 14 HD12 ILE 14 -3.180 -5.247 3.379 105 HD13 ILE 14 HD13 ILE 14 -1.547 -4.623 3.053 106 H ALA 15 H ALA 15 -3.609 -8.522 7.804 107 HA ALA 15 HA ALA 15 -4.508 -7.110 10.130 108 HB1 ALA 15 HB1 ALA 15 -5.046 -10.003 9.324 109 HB2 ALA 15 HB2 ALA 15 -6.092 -8.908 10.247 110 HB3 ALA 15 HB3 ALA 15 -5.826 -8.616 8.532 111 H ARG 16 H ARG 16 -1.666 -8.738 9.763 112 HA ARG 16 HA ARG 16 -1.592 -9.760 12.557 113 HB2 ARG 16 HB2 ARG 16 -0.229 -10.843 10.059 114 HB3 ARG 16 HB3 ARG 16 0.023 -11.446 11.702 115 HG2 ARG 16 HG2 ARG 16 -2.286 -12.162 11.882 116 HG3 ARG 16 HG3 ARG 16 -2.727 -11.396 10.358 117 HD2 ARG 16 HD2 ARG 16 -2.512 -13.787 10.057 118 HD3 ARG 16 HD3 ARG 16 -1.299 -12.933 9.103 119 HE ARG 16 HE ARG 16 -0.456 -13.833 11.766 120 HH11 ARG 16 HH11 ARG 16 -0.850 -15.325 8.554 121 HH12 ARG 16 HH12 ARG 16 0.817 -15.728 8.377 122 HH21 ARG 16 HH21 ARG 16 1.776 -14.589 11.580 123 HH22 ARG 16 HH22 ARG 16 2.168 -15.708 10.320 124 H GLY 17 H GLY 17 -0.372 -7.278 10.531 125 HA2 GLY 17 HA2 GLY 17 1.131 -5.935 12.199 126 HA3 GLY 17 HA3 GLY 17 2.248 -7.258 11.951 127 H ALA 18 H ALA 18 1.456 -7.404 8.950 128 HA ALA 18 HA ALA 18 3.604 -5.846 8.010 129 HB1 ALA 18 HB1 ALA 18 2.632 -7.766 6.793 130 HB2 ALA 18 HB2 ALA 18 1.202 -6.781 6.413 131 HB3 ALA 18 HB3 ALA 18 2.789 -6.321 5.771 132 H LYS 19 H LYS 19 3.787 -3.801 7.123 133 HA LYS 19 HA LYS 19 1.480 -1.938 7.508 134 HB2 LYS 19 HB2 LYS 19 4.381 -1.804 8.017 135 HB3 LYS 19 HB3 LYS 19 3.838 -0.467 7.021 136 HG2 LYS 19 HG2 LYS 19 3.720 0.115 9.423 137 HG3 LYS 19 HG3 LYS 19 2.136 0.139 8.645 138 HD2 LYS 19 HD2 LYS 19 2.191 -2.453 9.599 139 HD3 LYS 19 HD3 LYS 19 3.052 -1.564 10.858 140 HE2 LYS 19 HE2 LYS 19 1.129 -0.008 11.041 141 HE3 LYS 19 HE3 LYS 19 0.331 -0.794 9.673 142 HZ1 LYS 19 HZ1 LYS 19 0.910 -2.121 12.252 143 HZ2 LYS 19 HZ2 LYS 19 0.148 -2.805 10.966 144 HZ3 LYS 19 HZ3 LYS 19 -0.567 -1.597 11.729 145 H LEU 20 H LEU 20 0.483 -0.861 5.789 146 HA LEU 20 HA LEU 20 1.673 -1.419 3.116 147 HB2 LEU 20 HB2 LEU 20 -0.494 -2.440 3.597 148 HB3 LEU 20 HB3 LEU 20 -1.153 -0.860 4.002 149 HG LEU 20 HG LEU 20 -0.988 -0.064 1.772 150 HD11 LEU 20 HD11 LEU 20 -0.334 -1.666 -0.087 151 HD12 LEU 20 HD12 LEU 20 0.352 -2.698 1.153 152 HD13 LEU 20 HD13 LEU 20 1.013 -1.063 0.876 153 HD21 LEU 20 HD21 LEU 20 -2.876 -1.567 2.502 154 HD22 LEU 20 HD22 LEU 20 -2.076 -2.915 1.706 155 HD23 LEU 20 HD23 LEU 20 -2.613 -1.540 0.739 156 H ILE 21 H ILE 21 2.212 0.259 1.794 157 HA ILE 21 HA ILE 21 1.750 3.024 2.775 158 HB ILE 21 HB ILE 21 4.014 2.068 1.016 159 HG12 ILE 21 HG12 ILE 21 4.286 0.899 3.117 160 HG13 ILE 21 HG13 ILE 21 5.485 2.169 2.962 161 HG21 ILE 21 HG21 ILE 21 3.595 4.605 2.644 162 HG22 ILE 21 HG22 ILE 21 5.098 4.204 1.785 163 HG23 ILE 21 HG23 ILE 21 3.604 4.497 0.881 164 HD11 ILE 21 HD11 ILE 21 4.369 1.866 5.226 165 HD12 ILE 21 HD12 ILE 21 4.458 3.529 4.600 166 HD13 ILE 21 HD13 ILE 21 2.924 2.634 4.551 167 H ASP 22 H ASP 22 0.822 4.351 1.705 168 HA ASP 22 HA ASP 22 -0.501 4.063 -0.829 169 HB2 ASP 22 HB2 ASP 22 -0.538 6.388 1.144 170 HB3 ASP 22 HB3 ASP 22 -1.811 5.878 0.031 171 H ILE 23 H ILE 23 1.839 4.302 -2.013 172 HA ILE 23 HA ILE 23 2.780 7.086 -2.054 173 HB ILE 23 HB ILE 23 4.393 6.321 -3.653 174 HG12 ILE 23 HG12 ILE 23 4.012 3.462 -3.715 175 HG13 ILE 23 HG13 ILE 23 2.482 4.184 -4.218 176 HG21 ILE 23 HG21 ILE 23 4.072 4.278 -1.427 177 HG22 ILE 23 HG22 ILE 23 5.564 4.707 -2.278 178 HG23 ILE 23 HG23 ILE 23 4.754 5.905 -1.243 179 HD11 ILE 23 HD11 ILE 23 4.103 3.721 -6.072 180 HD12 ILE 23 HD12 ILE 23 3.487 5.375 -5.992 181 HD13 ILE 23 HD13 ILE 23 5.134 5.022 -5.395 182 H ARG 24 H ARG 24 0.033 6.817 -2.723 183 HA ARG 24 HA ARG 24 -0.162 7.399 -5.613 184 HB2 ARG 24 HB2 ARG 24 -2.733 7.505 -4.883 185 HB3 ARG 24 HB3 ARG 24 -1.915 6.021 -5.308 186 HG2 ARG 24 HG2 ARG 24 -1.636 5.320 -3.086 187 HG3 ARG 24 HG3 ARG 24 -2.004 6.931 -2.437 188 HD2 ARG 24 HD2 ARG 24 -4.360 6.479 -3.726 189 HD3 ARG 24 HD3 ARG 24 -3.919 4.807 -3.354 190 HE ARG 24 HE ARG 24 -3.560 6.474 -1.058 191 HH11 ARG 24 HH11 ARG 24 -6.343 5.256 -2.967 192 HH12 ARG 24 HH12 ARG 24 -7.417 5.323 -1.619 193 HH21 ARG 24 HH21 ARG 24 -4.960 6.247 0.754 194 HH22 ARG 24 HH22 ARG 24 -6.540 5.657 0.511 195 H ASP 25 H ASP 25 -1.956 8.954 -2.908 196 HA ASP 25 HA ASP 25 -0.940 11.552 -3.261 197 HB2 ASP 25 HB2 ASP 25 -2.307 11.257 -5.448 198 HB3 ASP 25 HB3 ASP 25 -3.728 11.141 -4.402 199 H ALA 26 H ALA 26 -3.410 12.847 -2.371 200 HA ALA 26 HA ALA 26 -4.031 11.397 0.162 201 HB1 ALA 26 HB1 ALA 26 -4.303 13.629 1.148 202 HB2 ALA 26 HB2 ALA 26 -2.669 13.448 0.476 203 HB3 ALA 26 HB3 ALA 26 -3.901 14.392 -0.400 204 H ASP 27 H ASP 27 -5.311 13.089 -2.705 205 HA ASP 27 HA ASP 27 -7.983 13.422 -1.798 206 HB2 ASP 27 HB2 ASP 27 -6.578 13.399 -4.504 207 HB3 ASP 27 HB3 ASP 27 -8.319 13.596 -4.365 208 H GLU 28 H GLU 28 -6.307 10.623 -3.167 209 HA GLU 28 HA GLU 28 -8.744 9.391 -4.184 210 HB2 GLU 28 HB2 GLU 28 -6.113 8.038 -3.503 211 HB3 GLU 28 HB3 GLU 28 -7.409 7.397 -4.514 212 HG2 GLU 28 HG2 GLU 28 -5.639 9.791 -5.084 213 HG3 GLU 28 HG3 GLU 28 -5.530 8.217 -5.861 214 H TYR 29 H TYR 29 -6.878 9.214 -1.224 215 HA TYR 29 HA TYR 29 -8.061 7.113 0.212 216 HB2 TYR 29 HB2 TYR 29 -6.206 8.308 1.220 217 HB3 TYR 29 HB3 TYR 29 -7.032 9.833 1.088 218 HD1 TYR 29 HD1 TYR 29 -6.577 6.834 3.168 219 HD2 TYR 29 HD2 TYR 29 -8.771 10.539 2.692 220 HE1 TYR 29 HE1 TYR 29 -7.307 6.739 5.524 221 HE2 TYR 29 HE2 TYR 29 -9.539 10.391 5.023 222 HH TYR 29 HH TYR 29 -9.070 9.254 7.153 223 H LEU 30 H LEU 30 -9.217 10.426 -0.132 224 HA LEU 30 HA LEU 30 -11.406 10.397 1.600 225 HB2 LEU 30 HB2 LEU 30 -10.208 12.279 0.539 226 HB3 LEU 30 HB3 LEU 30 -10.885 11.864 -1.026 227 HG LEU 30 HG LEU 30 -12.710 12.486 1.291 228 HD11 LEU 30 HD11 LEU 30 -11.075 14.291 1.224 229 HD12 LEU 30 HD12 LEU 30 -12.595 14.877 0.499 230 HD13 LEU 30 HD13 LEU 30 -11.209 14.391 -0.543 231 HD21 LEU 30 HD21 LEU 30 -14.148 13.390 -0.582 232 HD22 LEU 30 HD22 LEU 30 -13.818 11.672 -0.789 233 HD23 LEU 30 HD23 LEU 30 -12.917 12.861 -1.745 234 H ARG 31 H ARG 31 -11.143 9.424 -1.836 235 HA ARG 31 HA ARG 31 -13.985 8.885 -2.079 236 HB2 ARG 31 HB2 ARG 31 -11.560 8.799 -3.845 237 HB3 ARG 31 HB3 ARG 31 -12.831 7.655 -4.262 238 HG2 ARG 31 HG2 ARG 31 -13.510 10.564 -3.700 239 HG3 ARG 31 HG3 ARG 31 -12.918 10.068 -5.292 240 HD2 ARG 31 HD2 ARG 31 -14.728 8.685 -5.737 241 HD3 ARG 31 HD3 ARG 31 -15.168 8.500 -4.030 242 HE ARG 31 HE ARG 31 -15.457 11.226 -4.857 243 HH11 ARG 31 HH11 ARG 31 -17.016 8.056 -5.286 244 HH12 ARG 31 HH12 ARG 31 -18.619 8.659 -4.945 245 HH21 ARG 31 HH21 ARG 31 -17.672 12.056 -4.747 246 HH22 ARG 31 HH22 ARG 31 -18.996 10.983 -4.945 247 H GLU 32 H GLU 32 -11.045 6.776 -1.888 248 HA GLU 32 HA GLU 32 -12.648 4.707 -0.496 249 HB2 GLU 32 HB2 GLU 32 -11.128 4.239 -3.152 250 HB3 GLU 32 HB3 GLU 32 -11.614 2.958 -2.069 251 HG2 GLU 32 HG2 GLU 32 -14.042 3.675 -2.503 252 HG3 GLU 32 HG3 GLU 32 -13.453 4.896 -3.606 253 H HIS 33 H HIS 33 -11.266 3.309 0.673 254 HA HIS 33 HA HIS 33 -8.441 4.223 0.845 255 HB2 HIS 33 HB2 HIS 33 -10.075 4.259 2.804 256 HB3 HIS 33 HB3 HIS 33 -9.848 2.505 2.860 257 HD1 HIS 33 HD1 HIS 33 -8.937 4.478 5.267 258 HD2 HIS 33 HD2 HIS 33 -6.469 3.028 2.158 259 HE1 HIS 33 HE1 HIS 33 -6.553 4.544 6.112 260 H ILE 34 H ILE 34 -8.239 1.446 2.289 261 HA ILE 34 HA ILE 34 -8.173 -0.586 0.274 262 HB ILE 34 HB ILE 34 -6.107 1.276 0.192 263 HG12 ILE 34 HG12 ILE 34 -6.614 -1.172 -1.167 264 HG13 ILE 34 HG13 ILE 34 -5.949 0.376 -1.653 265 HG21 ILE 34 HG21 ILE 34 -4.081 0.546 1.097 266 HG22 ILE 34 HG22 ILE 34 -5.265 0.689 2.393 267 HG23 ILE 34 HG23 ILE 34 -4.795 -0.893 1.837 268 HD11 ILE 34 HD11 ILE 34 -3.696 -0.430 -0.861 269 HD12 ILE 34 HD12 ILE 34 -4.383 -2.057 -0.836 270 HD13 ILE 34 HD13 ILE 34 -4.373 -1.128 -2.330 271 HA PRO 35 HA PRO 35 -7.681 -3.070 3.997 272 HB2 PRO 35 HB2 PRO 35 -5.951 -5.109 3.374 273 HB3 PRO 35 HB3 PRO 35 -7.624 -4.963 2.814 274 HG2 PRO 35 HG2 PRO 35 -5.131 -4.501 1.210 275 HG3 PRO 35 HG3 PRO 35 -6.661 -5.009 0.676 276 HD2 PRO 35 HD2 PRO 35 -5.671 -2.420 0.645 277 HD3 PRO 35 HD3 PRO 35 -7.359 -2.861 0.271 278 H GLU 36 H GLU 36 -6.788 -1.710 5.468 279 HA GLU 36 HA GLU 36 -5.464 -0.769 6.901 280 HB2 GLU 36 HB2 GLU 36 -5.234 -3.466 6.914 281 HB3 GLU 36 HB3 GLU 36 -3.556 -3.052 6.738 282 HG2 GLU 36 HG2 GLU 36 -3.809 -3.071 9.055 283 HG3 GLU 36 HG3 GLU 36 -4.052 -1.353 8.707 284 H ALA 37 H ALA 37 -4.806 0.969 5.241 285 HA ALA 37 HA ALA 37 -1.808 0.995 5.061 286 HB1 ALA 37 HB1 ALA 37 -3.719 2.332 3.151 287 HB2 ALA 37 HB2 ALA 37 -1.941 2.252 3.074 288 HB3 ALA 37 HB3 ALA 37 -2.864 0.777 2.891 289 H ASP 38 H ASP 38 -1.176 3.490 4.608 290 HA ASP 38 HA ASP 38 -2.302 5.078 6.876 291 HB2 ASP 38 HB2 ASP 38 0.485 4.217 6.207 292 HB3 ASP 38 HB3 ASP 38 0.276 5.849 6.792 293 H LEU 39 H LEU 39 0.076 6.637 5.272 294 HA LEU 39 HA LEU 39 -1.113 7.576 2.903 295 HB2 LEU 39 HB2 LEU 39 -2.775 8.670 4.306 296 HB3 LEU 39 HB3 LEU 39 -1.519 9.464 5.255 297 HG LEU 39 HG LEU 39 -0.893 10.861 3.382 298 HD11 LEU 39 HD11 LEU 39 -2.030 10.766 1.190 299 HD12 LEU 39 HD12 LEU 39 -2.883 9.286 1.683 300 HD13 LEU 39 HD13 LEU 39 -1.126 9.288 1.466 301 HD21 LEU 39 HD21 LEU 39 -3.942 10.664 3.442 302 HD22 LEU 39 HD22 LEU 39 -2.972 12.104 3.037 303 HD23 LEU 39 HD23 LEU 39 -2.962 11.443 4.682 304 H ALA 40 H ALA 40 0.836 7.775 1.850 305 HA ALA 40 HA ALA 40 2.836 9.721 2.687 306 HB1 ALA 40 HB1 ALA 40 3.546 7.812 4.085 307 HB2 ALA 40 HB2 ALA 40 3.572 6.778 2.639 308 HB3 ALA 40 HB3 ALA 40 4.691 8.142 2.773 309 HA PRO 41 HA PRO 41 1.999 8.987 -1.781 310 HB2 PRO 41 HB2 PRO 41 1.973 11.608 -2.594 311 HB3 PRO 41 HB3 PRO 41 0.566 10.707 -1.951 312 HG2 PRO 41 HG2 PRO 41 2.361 12.633 -0.494 313 HG3 PRO 41 HG3 PRO 41 0.579 12.505 -0.429 314 HD2 PRO 41 HD2 PRO 41 2.203 11.395 1.479 315 HD3 PRO 41 HD3 PRO 41 0.650 10.658 0.999 316 H LEU 42 H LEU 42 3.355 9.439 -3.618 317 HA LEU 42 HA LEU 42 6.017 8.892 -3.334 318 HB2 LEU 42 HB2 LEU 42 4.775 8.639 -5.387 319 HB3 LEU 42 HB3 LEU 42 4.616 10.379 -5.597 320 HG LEU 42 HG LEU 42 7.426 9.361 -5.327 321 HD11 LEU 42 HD11 LEU 42 5.796 8.780 -7.826 322 HD12 LEU 42 HD12 LEU 42 6.455 7.578 -6.689 323 HD13 LEU 42 HD13 LEU 42 7.554 8.581 -7.639 324 HD21 LEU 42 HD21 LEU 42 6.968 11.753 -5.828 325 HD22 LEU 42 HD22 LEU 42 6.119 11.275 -7.312 326 HD23 LEU 42 HD23 LEU 42 7.858 10.970 -7.134 327 H SER 43 H SER 43 4.614 12.197 -3.483 328 HA SER 43 HA SER 43 6.904 13.694 -3.718 329 HB2 SER 43 HB2 SER 43 4.496 14.420 -2.012 330 HB3 SER 43 HB3 SER 43 5.507 15.487 -3.006 331 HG SER 43 HG SER 43 3.536 14.978 -4.090 332 H VAL 44 H VAL 44 5.588 12.162 -0.735 333 HA VAL 44 HA VAL 44 7.473 13.553 1.000 334 HB VAL 44 HB VAL 44 5.799 11.114 1.720 335 HG11 VAL 44 HG11 VAL 44 6.844 13.503 3.315 336 HG12 VAL 44 HG12 VAL 44 5.829 12.207 3.963 337 HG13 VAL 44 HG13 VAL 44 7.468 11.843 3.390 338 HG21 VAL 44 HG21 VAL 44 4.027 12.697 2.477 339 HG22 VAL 44 HG22 VAL 44 4.883 14.022 1.659 340 HG23 VAL 44 HG23 VAL 44 4.214 12.666 0.723 341 H LEU 45 H LEU 45 7.121 10.285 -0.450 342 HA LEU 45 HA LEU 45 9.294 8.996 0.800 343 HB2 LEU 45 HB2 LEU 45 8.014 8.751 -1.936 344 HB3 LEU 45 HB3 LEU 45 9.340 7.736 -1.494 345 HG LEU 45 HG LEU 45 6.873 6.940 -1.302 346 HD11 LEU 45 HD11 LEU 45 7.529 5.312 0.436 347 HD12 LEU 45 HD12 LEU 45 8.827 6.390 0.983 348 HD13 LEU 45 HD13 LEU 45 8.905 5.636 -0.626 349 HD21 LEU 45 HD21 LEU 45 7.208 8.092 1.515 350 HD22 LEU 45 HD22 LEU 45 5.913 7.010 0.955 351 HD23 LEU 45 HD23 LEU 45 6.025 8.641 0.303 352 H GLU 46 H GLU 46 9.181 11.132 -2.052 353 HA GLU 46 HA GLU 46 11.881 10.888 -2.908 354 HB2 GLU 46 HB2 GLU 46 9.562 12.836 -3.222 355 HB3 GLU 46 HB3 GLU 46 11.132 13.243 -3.861 356 HG2 GLU 46 HG2 GLU 46 9.814 10.597 -4.566 357 HG3 GLU 46 HG3 GLU 46 9.429 12.093 -5.421 358 H GLN 47 H GLN 47 10.185 13.393 -0.899 359 HA GLN 47 HA GLN 47 12.476 14.953 -0.340 360 HB2 GLN 47 HB2 GLN 47 9.802 14.530 1.048 361 HB3 GLN 47 HB3 GLN 47 11.027 15.622 1.696 362 HG2 GLN 47 HG2 GLN 47 10.999 16.986 -0.296 363 HG3 GLN 47 HG3 GLN 47 9.945 15.844 -1.127 364 HE21 GLN 47 HE21 GLN 47 8.038 17.147 -1.376 365 HE22 GLN 47 HE22 GLN 47 7.185 17.833 0.019 366 H SER 48 H SER 48 11.264 11.987 1.280 367 HA SER 48 HA SER 48 13.781 11.983 2.845 368 HB2 SER 48 HB2 SER 48 10.992 11.746 4.034 369 HB3 SER 48 HB3 SER 48 12.523 11.545 4.887 370 HG SER 48 HG SER 48 12.254 13.887 3.450 371 H GLY 49 H GLY 49 10.706 10.080 3.001 372 HA2 GLY 49 HA2 GLY 49 11.096 7.954 1.447 373 HA3 GLY 49 HA3 GLY 49 12.281 7.650 2.730 374 H LEU 50 H LEU 50 11.263 5.972 3.596 375 HA LEU 50 HA LEU 50 8.511 5.858 4.391 376 HB2 LEU 50 HB2 LEU 50 9.910 3.949 3.589 377 HB3 LEU 50 HB3 LEU 50 10.953 4.132 4.995 378 HG LEU 50 HG LEU 50 8.966 3.592 6.469 379 HD11 LEU 50 HD11 LEU 50 7.126 4.224 4.890 380 HD12 LEU 50 HD12 LEU 50 7.000 2.545 5.376 381 HD13 LEU 50 HD13 LEU 50 7.654 2.946 3.777 382 HD21 LEU 50 HD21 LEU 50 9.767 1.616 4.287 383 HD22 LEU 50 HD22 LEU 50 9.042 1.164 5.834 384 HD23 LEU 50 HD23 LEU 50 10.637 1.914 5.802 385 HA PRO 51 HA PRO 51 9.642 8.028 8.261 386 HB2 PRO 51 HB2 PRO 51 7.226 7.835 9.543 387 HB3 PRO 51 HB3 PRO 51 7.573 9.080 8.298 388 HG2 PRO 51 HG2 PRO 51 6.163 6.430 8.009 389 HG3 PRO 51 HG3 PRO 51 5.661 8.012 7.321 390 HD2 PRO 51 HD2 PRO 51 6.936 6.122 5.860 391 HD3 PRO 51 HD3 PRO 51 7.332 7.850 5.626 392 H ALA 52 H ALA 52 10.027 7.360 10.468 393 HA ALA 52 HA ALA 52 10.494 4.714 10.896 394 HB1 ALA 52 HB1 ALA 52 10.876 5.206 13.211 395 HB2 ALA 52 HB2 ALA 52 11.524 6.501 12.196 396 HB3 ALA 52 HB3 ALA 52 9.995 6.741 13.079 397 H LYS 53 H LYS 53 7.454 6.444 11.601 398 HA LYS 53 HA LYS 53 6.223 4.572 13.235 399 HB2 LYS 53 HB2 LYS 53 4.108 5.394 12.605 400 HB3 LYS 53 HB3 LYS 53 5.264 6.723 12.785 401 HG2 LYS 53 HG2 LYS 53 5.516 6.776 10.300 402 HG3 LYS 53 HG3 LYS 53 4.293 5.509 10.166 403 HD2 LYS 53 HD2 LYS 53 3.799 8.104 11.585 404 HD3 LYS 53 HD3 LYS 53 3.516 7.905 9.831 405 HE2 LYS 53 HE2 LYS 53 1.909 6.058 10.302 406 HE3 LYS 53 HE3 LYS 53 2.214 6.249 12.030 407 HZ1 LYS 53 HZ1 LYS 53 0.642 7.911 10.266 408 HZ2 LYS 53 HZ2 LYS 53 1.492 8.707 11.418 409 HZ3 LYS 53 HZ3 LYS 53 0.392 7.515 11.821 410 H LEU 54 H LEU 54 6.632 4.342 9.678 411 HA LEU 54 HA LEU 54 5.330 1.670 9.636 412 HB2 LEU 54 HB2 LEU 54 5.781 3.888 7.575 413 HB3 LEU 54 HB3 LEU 54 5.145 2.328 7.164 414 HG LEU 54 HG LEU 54 3.569 3.653 9.281 415 HD11 LEU 54 HD11 LEU 54 4.170 5.677 7.951 416 HD12 LEU 54 HD12 LEU 54 2.472 5.272 7.794 417 HD13 LEU 54 HD13 LEU 54 3.602 4.877 6.480 418 HD21 LEU 54 HD21 LEU 54 2.255 2.963 6.724 419 HD22 LEU 54 HD22 LEU 54 1.884 2.494 8.391 420 HD23 LEU 54 HD23 LEU 54 3.116 1.639 7.454 421 H ARG 55 H ARG 55 8.242 2.355 10.347 422 HA ARG 55 HA ARG 55 9.702 1.367 7.983 423 HB2 ARG 55 HB2 ARG 55 11.657 2.000 9.068 424 HB3 ARG 55 HB3 ARG 55 10.486 3.242 9.443 425 HG2 ARG 55 HG2 ARG 55 10.813 2.834 11.709 426 HG3 ARG 55 HG3 ARG 55 10.227 1.190 11.475 427 HD2 ARG 55 HD2 ARG 55 12.793 0.954 10.545 428 HD3 ARG 55 HD3 ARG 55 13.010 2.350 11.577 429 HE ARG 55 HE ARG 55 12.091 1.076 13.452 430 HH11 ARG 55 HH11 ARG 55 12.536 -0.938 10.595 431 HH12 ARG 55 HH12 ARG 55 13.319 -2.256 11.385 432 HH21 ARG 55 HH21 ARG 55 12.658 -0.852 14.639 433 HH22 ARG 55 HH22 ARG 55 13.096 -2.288 13.764 434 H HIS 56 H HIS 56 7.939 -0.313 9.746 435 HA HIS 56 HA HIS 56 9.159 -2.358 11.179 436 HB2 HIS 56 HB2 HIS 56 6.674 -2.241 9.449 437 HB3 HIS 56 HB3 HIS 56 7.165 -3.754 10.168 438 HD1 HIS 56 HD1 HIS 56 7.849 -0.974 12.620 439 HD2 HIS 56 HD2 HIS 56 4.748 -3.594 11.445 440 HE1 HIS 56 HE1 HIS 56 6.087 -0.873 14.436 441 H GLU 57 H GLU 57 9.669 -4.532 10.718 442 HA GLU 57 HA GLU 57 11.584 -4.948 8.734 443 HB2 GLU 57 HB2 GLU 57 9.937 -6.850 10.424 444 HB3 GLU 57 HB3 GLU 57 11.248 -7.421 9.395 445 HG2 GLU 57 HG2 GLU 57 12.896 -6.293 10.617 446 HG3 GLU 57 HG3 GLU 57 11.733 -5.212 11.400 447 H GLN 58 H GLN 58 8.072 -5.515 8.458 448 HA GLN 58 HA GLN 58 8.503 -6.412 5.665 449 HB2 GLN 58 HB2 GLN 58 6.848 -7.716 7.827 450 HB3 GLN 58 HB3 GLN 58 6.369 -7.853 6.140 451 HG2 GLN 58 HG2 GLN 58 8.498 -8.900 5.534 452 HG3 GLN 58 HG3 GLN 58 9.146 -8.639 7.153 453 HE21 GLN 58 HE21 GLN 58 8.686 -11.281 5.593 454 HE22 GLN 58 HE22 GLN 58 7.649 -12.206 6.636 455 H ILE 59 H ILE 59 7.585 -4.942 4.370 456 HA ILE 59 HA ILE 59 5.036 -3.732 5.186 457 HB ILE 59 HB ILE 59 5.607 -1.746 5.357 458 HG12 ILE 59 HG12 ILE 59 7.150 -1.913 2.831 459 HG13 ILE 59 HG13 ILE 59 5.567 -1.204 3.131 460 HG21 ILE 59 HG21 ILE 59 8.555 -2.395 5.362 461 HG22 ILE 59 HG22 ILE 59 7.748 -1.012 6.121 462 HG23 ILE 59 HG23 ILE 59 7.414 -2.607 6.724 463 HD11 ILE 59 HD11 ILE 59 8.198 -0.104 4.040 464 HD12 ILE 59 HD12 ILE 59 7.075 0.571 2.852 465 HD13 ILE 59 HD13 ILE 59 6.589 0.466 4.572 466 H ILE 60 H ILE 60 3.953 -2.710 3.249 467 HA ILE 60 HA ILE 60 4.622 -4.099 0.710 468 HB ILE 60 HB ILE 60 1.887 -3.979 2.050 469 HG12 ILE 60 HG12 ILE 60 3.931 -6.155 1.668 470 HG13 ILE 60 HG13 ILE 60 3.044 -5.712 3.109 471 HG21 ILE 60 HG21 ILE 60 1.707 -3.703 -0.446 472 HG22 ILE 60 HG22 ILE 60 2.630 -5.209 -0.650 473 HG23 ILE 60 HG23 ILE 60 1.032 -5.198 0.128 474 HD11 ILE 60 HD11 ILE 60 1.868 -7.148 0.685 475 HD12 ILE 60 HD12 ILE 60 2.347 -7.871 2.210 476 HD13 ILE 60 HD13 ILE 60 0.994 -6.701 2.184 477 H PHE 61 H PHE 61 3.829 -2.956 -1.113 478 HA PHE 61 HA PHE 61 3.178 -0.077 -0.668 479 HB2 PHE 61 HB2 PHE 61 5.252 -1.469 -2.364 480 HB3 PHE 61 HB3 PHE 61 4.496 -0.009 -2.989 481 HD1 PHE 61 HD1 PHE 61 4.606 2.133 -1.662 482 HD2 PHE 61 HD2 PHE 61 6.923 -1.320 -0.606 483 HE1 PHE 61 HE1 PHE 61 6.130 3.558 -0.286 484 HE2 PHE 61 HE2 PHE 61 8.498 0.129 0.669 485 HZ PHE 61 HZ PHE 61 8.105 2.558 0.821 486 H HIS 62 H HIS 62 1.662 0.782 -2.001 487 HA HIS 62 HA HIS 62 0.532 -0.702 -4.233 488 HB2 HIS 62 HB2 HIS 62 -1.686 -0.675 -3.508 489 HB3 HIS 62 HB3 HIS 62 -0.837 -1.352 -2.150 490 HD1 HIS 62 HD1 HIS 62 -0.446 0.590 -0.064 491 HD2 HIS 62 HD2 HIS 62 -3.094 1.516 -3.215 492 HE1 HIS 62 HE1 HIS 62 -1.912 2.455 0.765 493 H CYS 63 H CYS 63 -1.282 0.959 -5.095 494 HA CYS 63 HA CYS 63 -0.908 3.715 -4.599 495 HB2 CYS 63 HB2 CYS 63 1.208 3.098 -5.872 496 HB3 CYS 63 HB3 CYS 63 0.179 2.650 -7.251 497 HG CYS 63 HG CYS 63 1.511 5.101 -7.341 498 H GLN 64 H GLN 64 -1.972 4.611 -6.966 499 HA GLN 64 HA GLN 64 -4.718 3.970 -6.862 500 HB2 GLN 64 HB2 GLN 64 -3.456 6.063 -7.691 501 HB3 GLN 64 HB3 GLN 64 -3.060 5.142 -9.138 502 HG2 GLN 64 HG2 GLN 64 -5.856 4.934 -9.002 503 HG3 GLN 64 HG3 GLN 64 -5.550 6.541 -8.364 504 HE21 GLN 64 HE21 GLN 64 -4.192 8.011 -9.776 505 HE22 GLN 64 HE22 GLN 64 -4.648 7.876 -11.454 506 H ALA 65 H ALA 65 -5.999 2.991 -8.669 507 HA ALA 65 HA ALA 65 -5.025 0.420 -9.545 508 HB1 ALA 65 HB1 ALA 65 -7.284 0.113 -10.270 509 HB2 ALA 65 HB2 ALA 65 -7.378 1.119 -8.804 510 HB3 ALA 65 HB3 ALA 65 -7.576 1.870 -10.372 511 H GLY 66 H GLY 66 -3.251 1.918 -10.647 512 HA2 GLY 66 HA2 GLY 66 -3.745 1.889 -13.580 513 HA3 GLY 66 HA3 GLY 66 -3.011 3.315 -12.822 514 H LYS 67 H LYS 67 -2.337 0.199 -11.351 515 HA LYS 67 HA LYS 67 -0.349 -0.835 -10.930 516 HB2 LYS 67 HB2 LYS 67 -1.302 -1.744 -13.054 517 HB3 LYS 67 HB3 LYS 67 -0.221 -0.715 -13.966 518 HG2 LYS 67 HG2 LYS 67 1.734 -1.897 -12.988 519 HG3 LYS 67 HG3 LYS 67 0.637 -2.838 -11.955 520 HD2 LYS 67 HD2 LYS 67 -0.460 -3.701 -14.062 521 HD3 LYS 67 HD3 LYS 67 0.811 -2.882 -14.995 522 HE2 LYS 67 HE2 LYS 67 2.540 -4.253 -13.901 523 HE3 LYS 67 HE3 LYS 67 1.332 -4.878 -12.764 524 HZ1 LYS 67 HZ1 LYS 67 0.194 -5.887 -14.627 525 HZ2 LYS 67 HZ2 LYS 67 1.643 -6.525 -14.323 526 HZ3 LYS 67 HZ3 LYS 67 1.457 -5.480 -15.630 527 H ARG 68 H ARG 68 0.105 1.481 -10.088 528 HA ARG 68 HA ARG 68 2.413 2.775 -11.436 529 HB2 ARG 68 HB2 ARG 68 0.512 3.646 -9.236 530 HB3 ARG 68 HB3 ARG 68 1.861 4.642 -9.779 531 HG2 ARG 68 HG2 ARG 68 -0.485 3.758 -11.512 532 HG3 ARG 68 HG3 ARG 68 -0.281 5.340 -10.762 533 HD2 ARG 68 HD2 ARG 68 1.854 5.656 -12.015 534 HD3 ARG 68 HD3 ARG 68 1.597 4.077 -12.793 535 HE ARG 68 HE ARG 68 -0.630 5.905 -13.118 536 HH11 ARG 68 HH11 ARG 68 2.516 4.846 -14.420 537 HH12 ARG 68 HH12 ARG 68 2.046 5.109 -16.061 538 HH21 ARG 68 HH21 ARG 68 -1.104 6.523 -15.292 539 HH22 ARG 68 HH22 ARG 68 0.144 6.525 -16.492 540 H THR 69 H THR 69 2.408 0.342 -9.115 541 HA THR 69 HA THR 69 4.372 1.616 -7.377 542 HB THR 69 HB THR 69 4.442 -0.844 -6.549 543 HG1 THR 69 HG1 THR 69 2.415 -1.876 -7.073 544 HG21 THR 69 HG21 THR 69 3.424 1.086 -5.355 545 HG22 THR 69 HG22 THR 69 2.546 -0.431 -5.130 546 HG23 THR 69 HG23 THR 69 1.902 0.800 -6.247 547 H SER 70 H SER 70 4.571 -1.478 -9.340 548 HA SER 70 HA SER 70 7.268 -1.838 -9.194 549 HB2 SER 70 HB2 SER 70 5.720 -2.386 -11.734 550 HB3 SER 70 HB3 SER 70 7.109 -3.249 -11.074 551 HG SER 70 HG SER 70 5.558 -4.476 -10.312 552 H ASN 71 H ASN 71 5.510 0.293 -11.170 553 HA ASN 71 HA ASN 71 7.107 1.343 -13.180 554 HB2 ASN 71 HB2 ASN 71 5.133 2.601 -11.291 555 HB3 ASN 71 HB3 ASN 71 6.224 3.709 -12.072 556 HD21 ASN 71 HD21 ASN 71 5.164 0.851 -13.959 557 HD22 ASN 71 HD22 ASN 71 4.201 1.850 -15.021 558 H ASN 72 H ASN 72 7.391 2.238 -9.704 559 HA ASN 72 HA ASN 72 10.147 3.189 -10.193 560 HB2 ASN 72 HB2 ASN 72 8.104 4.683 -8.497 561 HB3 ASN 72 HB3 ASN 72 9.741 5.199 -8.893 562 HD21 ASN 72 HD21 ASN 72 10.136 5.269 -11.454 563 HD22 ASN 72 HD22 ASN 72 8.816 5.969 -12.357 564 H ALA 73 H ALA 73 9.067 0.682 -9.065 565 HA ALA 73 HA ALA 73 9.129 0.792 -6.204 566 HB1 ALA 73 HB1 ALA 73 7.944 -0.935 -7.351 567 HB2 ALA 73 HB2 ALA 73 9.448 -1.538 -8.111 568 HB3 ALA 73 HB3 ALA 73 9.206 -1.662 -6.350 569 H ASP 74 H ASP 74 11.769 0.749 -8.503 570 HA ASP 74 HA ASP 74 13.739 -0.560 -6.920 571 HB2 ASP 74 HB2 ASP 74 13.970 1.552 -9.106 572 HB3 ASP 74 HB3 ASP 74 15.336 0.720 -8.378 573 H LYS 75 H LYS 75 12.979 2.995 -7.281 574 HA LYS 75 HA LYS 75 14.830 3.852 -5.340 575 HB2 LYS 75 HB2 LYS 75 13.348 5.060 -7.218 576 HB3 LYS 75 HB3 LYS 75 12.221 5.295 -5.885 577 HG2 LYS 75 HG2 LYS 75 15.110 6.240 -6.133 578 HG3 LYS 75 HG3 LYS 75 13.632 7.215 -6.269 579 HD2 LYS 75 HD2 LYS 75 13.151 6.401 -3.863 580 HD3 LYS 75 HD3 LYS 75 14.864 5.976 -3.814 581 HE2 LYS 75 HE2 LYS 75 13.608 8.729 -4.262 582 HE3 LYS 75 HE3 LYS 75 14.602 8.239 -2.893 583 HZ1 LYS 75 HZ1 LYS 75 15.748 9.618 -4.524 584 HZ2 LYS 75 HZ2 LYS 75 15.551 8.514 -5.687 585 HZ3 LYS 75 HZ3 LYS 75 16.500 8.152 -4.366 586 H LEU 76 H LEU 76 11.424 2.848 -5.121 587 HA LEU 76 HA LEU 76 11.002 3.536 -2.378 588 HB2 LEU 76 HB2 LEU 76 9.743 1.346 -4.061 589 HB3 LEU 76 HB3 LEU 76 9.184 1.793 -2.455 590 HG LEU 76 HG LEU 76 9.182 3.608 -4.899 591 HD11 LEU 76 HD11 LEU 76 7.557 1.734 -5.093 592 HD12 LEU 76 HD12 LEU 76 6.755 3.294 -4.924 593 HD13 LEU 76 HD13 LEU 76 6.859 2.192 -3.531 594 HD21 LEU 76 HD21 LEU 76 9.296 4.953 -2.874 595 HD22 LEU 76 HD22 LEU 76 7.977 4.003 -2.140 596 HD23 LEU 76 HD23 LEU 76 7.666 5.042 -3.547 597 H ALA 77 H ALA 77 12.710 0.818 -3.873 598 HA ALA 77 HA ALA 77 12.693 -0.907 -1.611 599 HB1 ALA 77 HB1 ALA 77 13.237 -1.609 -3.981 600 HB2 ALA 77 HB2 ALA 77 14.808 -0.806 -3.809 601 HB3 ALA 77 HB3 ALA 77 14.402 -2.152 -2.759 602 H ALA 78 H ALA 78 15.143 1.356 -2.921 603 HA ALA 78 HA ALA 78 17.073 1.067 -0.857 604 HB1 ALA 78 HB1 ALA 78 17.548 2.172 -3.008 605 HB2 ALA 78 HB2 ALA 78 16.424 3.491 -2.602 606 HB3 ALA 78 HB3 ALA 78 17.913 3.270 -1.662 607 H ILE 79 H ILE 79 14.101 2.864 -0.979 608 HA ILE 79 HA ILE 79 14.562 4.579 1.289 609 HB ILE 79 HB ILE 79 12.343 3.896 -0.595 610 HG12 ILE 79 HG12 ILE 79 13.498 6.524 0.412 611 HG13 ILE 79 HG13 ILE 79 14.050 5.647 -1.022 612 HG21 ILE 79 HG21 ILE 79 10.737 5.288 0.682 613 HG22 ILE 79 HG22 ILE 79 11.085 3.753 1.430 614 HG23 ILE 79 HG23 ILE 79 11.863 5.233 2.061 615 HD11 ILE 79 HD11 ILE 79 11.725 5.838 -1.977 616 HD12 ILE 79 HD12 ILE 79 11.320 6.916 -0.623 617 HD13 ILE 79 HD13 ILE 79 12.576 7.387 -1.760 618 H ALA 80 H ALA 80 12.917 1.284 0.950 619 HA ALA 80 HA ALA 80 12.232 1.418 3.844 620 HB1 ALA 80 HB1 ALA 80 10.567 0.898 2.115 621 HB2 ALA 80 HB2 ALA 80 11.511 -0.543 1.691 622 HB3 ALA 80 HB3 ALA 80 10.844 -0.360 3.341 623 H ALA 81 H ALA 81 14.603 -0.192 1.750 624 HA ALA 81 HA ALA 81 15.024 -2.549 3.108 625 HB1 ALA 81 HB1 ALA 81 17.079 -0.685 1.816 626 HB2 ALA 81 HB2 ALA 81 17.368 -2.391 2.215 627 HB3 ALA 81 HB3 ALA 81 16.138 -1.960 1.015 628 HA PRO 82 HA PRO 82 17.046 -3.865 3.975 629 HB2 PRO 82 HB2 PRO 82 17.430 -5.281 6.281 630 HB3 PRO 82 HB3 PRO 82 18.639 -4.155 5.596 631 HG2 PRO 82 HG2 PRO 82 16.599 -3.554 7.755 632 HG3 PRO 82 HG3 PRO 82 18.376 -3.310 7.822 633 HD2 PRO 82 HD2 PRO 82 16.672 -1.302 7.124 634 HD3 PRO 82 HD3 PRO 82 18.251 -1.486 6.316 635 H ALA 83 H ALA 83 14.200 -2.660 5.350 636 HA ALA 83 HA ALA 83 12.868 -5.031 6.147 637 HB1 ALA 83 HB1 ALA 83 11.711 -2.509 4.871 638 HB2 ALA 83 HB2 ALA 83 10.822 -3.724 5.810 639 HB3 ALA 83 HB3 ALA 83 12.039 -2.719 6.605 640 H GLU 84 H GLU 84 11.393 -6.246 5.132 641 HA GLU 84 HA GLU 84 11.937 -6.869 2.289 642 HB2 GLU 84 HB2 GLU 84 10.741 -8.316 4.644 643 HB3 GLU 84 HB3 GLU 84 10.235 -8.812 3.018 644 HG2 GLU 84 HG2 GLU 84 13.170 -8.446 3.736 645 HG3 GLU 84 HG3 GLU 84 12.315 -9.963 4.028 646 H ILE 85 H ILE 85 10.833 -5.829 0.833 647 HA ILE 85 HA ILE 85 8.166 -4.729 1.497 648 HB ILE 85 HB ILE 85 10.537 -3.766 -0.026 649 HG12 ILE 85 HG12 ILE 85 9.849 -1.666 0.775 650 HG13 ILE 85 HG13 ILE 85 8.223 -2.240 1.114 651 HG21 ILE 85 HG21 ILE 85 9.137 -2.234 -1.411 652 HG22 ILE 85 HG22 ILE 85 9.165 -3.908 -1.975 653 HG23 ILE 85 HG23 ILE 85 7.742 -3.280 -1.117 654 HD11 ILE 85 HD11 ILE 85 9.081 -3.578 3.039 655 HD12 ILE 85 HD12 ILE 85 10.737 -3.045 2.652 656 HD13 ILE 85 HD13 ILE 85 9.484 -1.910 3.196 657 H PHE 86 H PHE 86 6.449 -5.147 0.328 658 HA PHE 86 HA PHE 86 6.759 -6.845 -2.046 659 HB2 PHE 86 HB2 PHE 86 4.476 -7.224 -0.087 660 HB3 PHE 86 HB3 PHE 86 4.962 -8.246 -1.422 661 HD1 PHE 86 HD1 PHE 86 5.890 -7.246 2.056 662 HD2 PHE 86 HD2 PHE 86 6.654 -9.881 -1.253 663 HE1 PHE 86 HE1 PHE 86 7.419 -8.539 3.465 664 HE2 PHE 86 HE2 PHE 86 8.254 -11.167 0.141 665 HZ PHE 86 HZ PHE 86 8.606 -10.527 2.533 666 H LEU 87 H LEU 87 4.727 -6.988 -3.343 667 HA LEU 87 HA LEU 87 3.566 -4.258 -3.689 668 HB2 LEU 87 HB2 LEU 87 4.388 -6.324 -5.788 669 HB3 LEU 87 HB3 LEU 87 3.542 -4.832 -6.120 670 HG LEU 87 HG LEU 87 6.356 -5.040 -4.928 671 HD11 LEU 87 HD11 LEU 87 7.070 -4.131 -7.110 672 HD12 LEU 87 HD12 LEU 87 5.379 -4.186 -7.669 673 HD13 LEU 87 HD13 LEU 87 6.243 -5.688 -7.294 674 HD21 LEU 87 HD21 LEU 87 4.565 -2.688 -5.588 675 HD22 LEU 87 HD22 LEU 87 6.340 -2.520 -5.517 676 HD23 LEU 87 HD23 LEU 87 5.423 -3.021 -4.079 677 H LEU 88 H LEU 88 1.495 -4.293 -3.112 678 HA LEU 88 HA LEU 88 -0.051 -6.776 -3.210 679 HB2 LEU 88 HB2 LEU 88 -0.252 -4.739 -1.516 680 HB3 LEU 88 HB3 LEU 88 -1.327 -4.067 -2.706 681 HG LEU 88 HG LEU 88 -1.570 -6.776 -1.311 682 HD11 LEU 88 HD11 LEU 88 -3.541 -5.778 -0.230 683 HD12 LEU 88 HD12 LEU 88 -3.252 -4.244 -1.087 684 HD13 LEU 88 HD13 LEU 88 -2.087 -4.841 0.113 685 HD21 LEU 88 HD21 LEU 88 -3.894 -6.817 -2.353 686 HD22 LEU 88 HD22 LEU 88 -2.551 -7.156 -3.449 687 HD23 LEU 88 HD23 LEU 88 -3.328 -5.555 -3.470 688 H GLU 89 H GLU 89 0.001 -7.306 -5.385 689 HA GLU 89 HA GLU 89 -0.451 -7.283 -7.627 690 HB2 GLU 89 HB2 GLU 89 -3.031 -6.156 -6.473 691 HB3 GLU 89 HB3 GLU 89 -2.903 -6.927 -8.047 692 HG2 GLU 89 HG2 GLU 89 -2.127 -8.466 -5.548 693 HG3 GLU 89 HG3 GLU 89 -3.787 -8.279 -6.055 694 H ASP 90 H ASP 90 -2.517 -5.306 -8.781 695 HA ASP 90 HA ASP 90 -0.585 -3.338 -9.717 696 HB2 ASP 90 HB2 ASP 90 -3.499 -3.722 -10.437 697 HB3 ASP 90 HB3 ASP 90 -2.349 -2.677 -11.262 698 H GLY 91 H GLY 91 -1.744 -3.212 -6.830 699 HA2 GLY 91 HA2 GLY 91 -1.478 -1.139 -5.669 700 HA3 GLY 91 HA3 GLY 91 -2.346 -0.286 -6.950 701 H ILE 92 H ILE 92 -4.566 -0.479 -7.074 702 HA ILE 92 HA ILE 92 -5.912 -1.395 -4.551 703 HB ILE 92 HB ILE 92 -6.211 0.929 -6.205 704 HG12 ILE 92 HG12 ILE 92 -6.102 0.832 -3.770 705 HG13 ILE 92 HG13 ILE 92 -7.454 1.778 -4.366 706 HG21 ILE 92 HG21 ILE 92 -8.057 -0.286 -7.420 707 HG22 ILE 92 HG22 ILE 92 -8.930 -0.409 -5.905 708 HG23 ILE 92 HG23 ILE 92 -8.556 1.187 -6.561 709 HD11 ILE 92 HD11 ILE 92 -9.055 0.055 -3.767 710 HD12 ILE 92 HD12 ILE 92 -7.750 -1.095 -3.355 711 HD13 ILE 92 HD13 ILE 92 -8.020 0.339 -2.385 712 H ASP 93 H ASP 93 -5.621 -2.261 -7.840 713 HA ASP 93 HA ASP 93 -8.108 -3.530 -8.262 714 HB2 ASP 93 HB2 ASP 93 -6.406 -2.810 -9.959 715 HB3 ASP 93 HB3 ASP 93 -5.423 -4.192 -9.480 716 H GLY 94 H GLY 94 -5.450 -4.508 -6.288 717 HA2 GLY 94 HA2 GLY 94 -5.847 -7.350 -6.469 718 HA3 GLY 94 HA3 GLY 94 -4.910 -6.473 -5.241 719 H TRP 95 H TRP 95 -6.470 -5.068 -3.743 720 HA TRP 95 HA TRP 95 -7.689 -6.672 -1.933 721 HB2 TRP 95 HB2 TRP 95 -7.103 -4.419 -1.552 722 HB3 TRP 95 HB3 TRP 95 -8.348 -3.833 -2.637 723 HD1 TRP 95 HD1 TRP 95 -10.165 -2.833 -1.323 724 HE1 TRP 95 HE1 TRP 95 -11.441 -3.313 0.888 725 HE3 TRP 95 HE3 TRP 95 -7.722 -7.074 0.191 726 HZ2 TRP 95 HZ2 TRP 95 -11.133 -5.060 3.200 727 HZ3 TRP 95 HZ3 TRP 95 -8.116 -8.002 2.439 728 HH2 TRP 95 HH2 TRP 95 -9.765 -6.996 3.951 729 H LYS 96 H LYS 96 -9.423 -4.812 -4.492 730 HA LYS 96 HA LYS 96 -11.980 -5.786 -3.979 731 HB2 LYS 96 HB2 LYS 96 -12.581 -5.078 -6.277 732 HB3 LYS 96 HB3 LYS 96 -11.716 -3.846 -5.377 733 HG2 LYS 96 HG2 LYS 96 -9.631 -4.350 -6.553 734 HG3 LYS 96 HG3 LYS 96 -10.380 -5.692 -7.424 735 HD2 LYS 96 HD2 LYS 96 -11.320 -2.831 -7.660 736 HD3 LYS 96 HD3 LYS 96 -10.134 -3.572 -8.745 737 HE2 LYS 96 HE2 LYS 96 -11.697 -5.283 -9.438 738 HE3 LYS 96 HE3 LYS 96 -12.913 -4.697 -8.299 739 HZ1 LYS 96 HZ1 LYS 96 -11.830 -3.085 -10.515 740 HZ2 LYS 96 HZ2 LYS 96 -13.068 -2.687 -9.462 741 HZ3 LYS 96 HZ3 LYS 96 -13.265 -3.913 -10.539 742 H LYS 97 H LYS 97 -9.509 -7.323 -6.047 743 HA LYS 97 HA LYS 97 -10.993 -9.087 -7.555 744 HB2 LYS 97 HB2 LYS 97 -8.474 -8.667 -7.517 745 HB3 LYS 97 HB3 LYS 97 -8.404 -9.716 -6.099 746 HG2 LYS 97 HG2 LYS 97 -9.425 -11.557 -7.592 747 HG3 LYS 97 HG3 LYS 97 -9.041 -10.471 -8.950 748 HD2 LYS 97 HD2 LYS 97 -6.653 -10.353 -8.000 749 HD3 LYS 97 HD3 LYS 97 -7.128 -11.635 -6.867 750 HE2 LYS 97 HE2 LYS 97 -7.787 -13.030 -8.872 751 HE3 LYS 97 HE3 LYS 97 -7.079 -11.773 -9.908 752 HZ1 LYS 97 HZ1 LYS 97 -5.673 -13.445 -7.920 753 HZ2 LYS 97 HZ2 LYS 97 -4.957 -12.185 -8.741 754 HZ3 LYS 97 HZ3 LYS 97 -5.489 -13.464 -9.553 755 H ALA 98 H ALA 98 -9.738 -9.694 -4.254 756 HA ALA 98 HA ALA 98 -11.006 -12.242 -3.989 757 HB1 ALA 98 HB1 ALA 98 -9.048 -11.936 -2.781 758 HB2 ALA 98 HB2 ALA 98 -9.549 -10.382 -2.114 759 HB3 ALA 98 HB3 ALA 98 -10.312 -11.892 -1.544 760 H GLY 99 H GLY 99 -12.600 -9.259 -4.080 761 HA2 GLY 99 HA2 GLY 99 -14.827 -8.870 -3.790 762 HA3 GLY 99 HA3 GLY 99 -15.016 -10.436 -2.996 763 H LEU 100 H LEU 100 -12.903 -7.578 -2.112 764 HA LEU 100 HA LEU 100 -14.354 -7.489 0.473 765 HB2 LEU 100 HB2 LEU 100 -11.433 -6.962 -0.054 766 HB3 LEU 100 HB3 LEU 100 -12.274 -6.855 1.492 767 HG LEU 100 HG LEU 100 -12.757 -9.497 0.395 768 HD11 LEU 100 HD11 LEU 100 -9.815 -8.843 0.563 769 HD12 LEU 100 HD12 LEU 100 -10.741 -9.051 -0.927 770 HD13 LEU 100 HD13 LEU 100 -10.560 -10.403 0.220 771 HD21 LEU 100 HD21 LEU 100 -11.020 -8.695 2.736 772 HD22 LEU 100 HD22 LEU 100 -11.808 -10.250 2.441 773 HD23 LEU 100 HD23 LEU 100 -12.787 -8.811 2.787 774 HA PRO 101 HA PRO 101 -14.850 -3.190 -0.714 775 HB2 PRO 101 HB2 PRO 101 -16.153 -2.232 1.448 776 HB3 PRO 101 HB3 PRO 101 -16.904 -3.485 0.415 777 HG2 PRO 101 HG2 PRO 101 -15.435 -3.881 3.037 778 HG3 PRO 101 HG3 PRO 101 -17.010 -4.571 2.532 779 HD2 PRO 101 HD2 PRO 101 -14.574 -5.881 2.293 780 HD3 PRO 101 HD3 PRO 101 -15.981 -6.199 1.224 781 H VAL 102 H VAL 102 -13.867 -1.162 -0.312 782 HA VAL 102 HA VAL 102 -11.426 -1.072 1.252 783 HB VAL 102 HB VAL 102 -11.636 1.314 0.172 784 HG11 VAL 102 HG11 VAL 102 -10.119 -0.451 -0.683 785 HG12 VAL 102 HG12 VAL 102 -11.442 -1.087 -1.681 786 HG13 VAL 102 HG13 VAL 102 -10.798 0.536 -1.985 787 HG21 VAL 102 HG21 VAL 102 -13.602 -0.068 -1.717 788 HG22 VAL 102 HG22 VAL 102 -14.165 0.919 -0.357 789 HG23 VAL 102 HG23 VAL 102 -13.178 1.625 -1.621 790 H ALA 103 H ALA 103 -11.232 1.054 2.673 791 HA ALA 103 HA ALA 103 -13.518 1.124 4.486 792 HB1 ALA 103 HB1 ALA 103 -11.132 1.245 5.297 793 HB2 ALA 103 HB2 ALA 103 -11.038 2.884 4.597 794 HB3 ALA 103 HB3 ALA 103 -12.194 2.553 5.859 795 H VAL 104 H VAL 104 -14.854 1.842 2.475 796 HA VAL 104 HA VAL 104 -14.636 4.663 1.716 797 HB VAL 104 HB VAL 104 -17.075 4.084 0.826 798 HG11 VAL 104 HG11 VAL 104 -15.968 2.948 -1.172 799 HG12 VAL 104 HG12 VAL 104 -15.383 4.533 -0.677 800 HG13 VAL 104 HG13 VAL 104 -14.449 3.101 -0.245 801 HG21 VAL 104 HG21 VAL 104 -17.560 1.816 0.299 802 HG22 VAL 104 HG22 VAL 104 -16.046 1.226 0.987 803 HG23 VAL 104 HG23 VAL 104 -17.302 1.885 2.053 804 H ASN 105 H ASN 105 -16.407 6.227 2.377 805 HA ASN 105 HA ASN 105 -17.348 5.739 5.134 806 HB2 ASN 105 HB2 ASN 105 -17.727 8.109 3.263 807 HB3 ASN 105 HB3 ASN 105 -18.357 8.007 4.910 808 HD21 ASN 105 HD21 ASN 105 -16.750 10.116 4.435 809 HD22 ASN 105 HD22 ASN 105 -15.145 9.869 5.100 810 H LYS 106 H LYS 106 -18.508 5.197 1.965 811 HA LYS 106 HA LYS 106 -21.353 5.309 2.653 812 HB2 LYS 106 HB2 LYS 106 -20.122 5.872 0.330 813 HB3 LYS 106 HB3 LYS 106 -20.211 4.126 0.102 814 HG2 LYS 106 HG2 LYS 106 -22.165 4.979 -0.946 815 HG3 LYS 106 HG3 LYS 106 -22.744 4.366 0.595 816 HD2 LYS 106 HD2 LYS 106 -22.259 6.906 1.367 817 HD3 LYS 106 HD3 LYS 106 -22.430 7.204 -0.364 818 HE2 LYS 106 HE2 LYS 106 -24.432 5.877 1.517 819 HE3 LYS 106 HE3 LYS 106 -24.568 7.488 0.827 820 HZ1 LYS 106 HZ1 LYS 106 -24.757 6.398 -1.384 821 HZ2 LYS 106 HZ2 LYS 106 -25.937 5.997 -0.342 822 HZ3 LYS 106 HZ3 LYS 106 -24.722 4.929 -0.658 823 H SER 107 H SER 107 -22.710 3.341 2.152 824 HA SER 107 HA SER 107 -21.490 0.690 2.536 825 HB2 SER 107 HB2 SER 107 -23.652 2.035 4.209 826 HB3 SER 107 HB3 SER 107 -23.314 0.315 4.260 827 HG SER 107 HG SER 107 -22.235 1.325 5.923 828 H GLN 108 H GLN 108 -23.344 -1.012 2.165 829 HA GLN 108 HA GLN 108 -25.698 -0.056 0.804 830 HB2 GLN 108 HB2 GLN 108 -25.364 -1.353 -1.224 831 HB3 GLN 108 HB3 GLN 108 -24.210 -0.026 -1.122 832 HG2 GLN 108 HG2 GLN 108 -22.407 -1.529 -0.513 833 HG3 GLN 108 HG3 GLN 108 -23.519 -2.891 -0.362 834 HE21 GLN 108 HE21 GLN 108 -24.998 -2.961 -2.560 835 HE22 GLN 108 HE22 GLN 108 -24.054 -3.115 -4.029 Start of MODEL 20 1 H ALA 1 H ALA 1 11.437 -9.239 -0.119 2 HA ALA 1 HA ALA 1 12.904 -7.187 -1.605 3 HB1 ALA 1 HB1 ALA 1 13.841 -9.102 -2.848 4 HB2 ALA 1 HB2 ALA 1 14.090 -9.282 -1.104 5 HB3 ALA 1 HB3 ALA 1 12.813 -10.215 -1.917 6 H LEU 2 H LEU 2 12.211 -6.345 -3.416 7 HA LEU 2 HA LEU 2 9.722 -5.990 -4.147 8 HB2 LEU 2 HB2 LEU 2 12.049 -6.336 -6.084 9 HB3 LEU 2 HB3 LEU 2 10.479 -5.720 -6.566 10 HG LEU 2 HG LEU 2 12.401 -4.383 -4.659 11 HD11 LEU 2 HD11 LEU 2 12.525 -2.680 -6.425 12 HD12 LEU 2 HD12 LEU 2 11.419 -3.642 -7.442 13 HD13 LEU 2 HD13 LEU 2 13.024 -4.264 -7.025 14 HD21 LEU 2 HD21 LEU 2 10.285 -3.824 -3.792 15 HD22 LEU 2 HD22 LEU 2 9.555 -3.629 -5.412 16 HD23 LEU 2 HD23 LEU 2 10.745 -2.460 -4.789 17 H THR 3 H THR 3 8.075 -7.486 -4.304 18 HA THR 3 HA THR 3 7.970 -9.403 -6.480 19 HB THR 3 HB THR 3 8.029 -10.131 -3.521 20 HG1 THR 3 HG1 THR 3 9.517 -10.721 -5.785 21 HG21 THR 3 HG21 THR 3 6.130 -11.350 -4.239 22 HG22 THR 3 HG22 THR 3 7.480 -12.480 -4.149 23 HG23 THR 3 HG23 THR 3 6.960 -11.854 -5.729 24 H THR 4 H THR 4 5.774 -9.984 -6.907 25 HA THR 4 HA THR 4 3.796 -8.158 -5.750 26 HB THR 4 HB THR 4 2.416 -9.494 -7.657 27 HG1 THR 4 HG1 THR 4 3.817 -10.702 -8.641 28 HG21 THR 4 HG21 THR 4 2.607 -7.095 -7.519 29 HG22 THR 4 HG22 THR 4 2.985 -7.600 -9.170 30 HG23 THR 4 HG23 THR 4 4.299 -7.143 -8.054 31 H ILE 5 H ILE 5 2.018 -8.887 -4.569 32 HA ILE 5 HA ILE 5 1.836 -11.781 -4.053 33 HB ILE 5 HB ILE 5 3.170 -11.096 -2.320 34 HG12 ILE 5 HG12 ILE 5 0.435 -10.934 -1.034 35 HG13 ILE 5 HG13 ILE 5 1.068 -12.421 -1.769 36 HG21 ILE 5 HG21 ILE 5 3.088 -8.673 -2.474 37 HG22 ILE 5 HG22 ILE 5 1.414 -8.651 -1.856 38 HG23 ILE 5 HG23 ILE 5 2.773 -9.143 -0.824 39 HD11 ILE 5 HD11 ILE 5 2.404 -10.857 0.457 40 HD12 ILE 5 HD12 ILE 5 1.566 -12.420 0.597 41 HD13 ILE 5 HD13 ILE 5 3.071 -12.304 -0.334 42 H SER 6 H SER 6 -0.158 -12.583 -4.023 43 HA SER 6 HA SER 6 -2.346 -11.240 -5.033 44 HB2 SER 6 HB2 SER 6 -2.190 -13.796 -3.415 45 HB3 SER 6 HB3 SER 6 -3.468 -13.371 -4.576 46 HG SER 6 HG SER 6 -1.995 -14.625 -5.692 47 HA PRO 7 HA PRO 7 -4.308 -9.340 -1.584 48 HB2 PRO 7 HB2 PRO 7 -6.962 -9.425 -2.141 49 HB3 PRO 7 HB3 PRO 7 -5.760 -8.504 -3.099 50 HG2 PRO 7 HG2 PRO 7 -6.799 -11.308 -3.655 51 HG3 PRO 7 HG3 PRO 7 -6.782 -9.918 -4.785 52 HD2 PRO 7 HD2 PRO 7 -4.804 -11.718 -4.851 53 HD3 PRO 7 HD3 PRO 7 -4.443 -9.977 -4.981 54 H HIS 8 H HIS 8 -4.940 -12.683 -2.082 55 HA HIS 8 HA HIS 8 -6.701 -13.183 0.174 56 HB2 HIS 8 HB2 HIS 8 -6.746 -14.693 -1.661 57 HB3 HIS 8 HB3 HIS 8 -4.993 -14.884 -1.675 58 HD1 HIS 8 HD1 HIS 8 -8.078 -16.281 -0.034 59 HD2 HIS 8 HD2 HIS 8 -3.879 -16.526 0.227 60 HE1 HIS 8 HE1 HIS 8 -7.541 -18.413 1.308 61 H ASP 9 H ASP 9 -3.308 -13.856 -0.543 62 HA ASP 9 HA ASP 9 -2.336 -14.644 1.955 63 HB2 ASP 9 HB2 ASP 9 -1.011 -13.151 -0.370 64 HB3 ASP 9 HB3 ASP 9 -0.134 -13.900 0.949 65 H ALA 10 H ALA 10 -2.465 -11.515 0.287 66 HA ALA 10 HA ALA 10 -1.262 -9.976 2.279 67 HB1 ALA 10 HB1 ALA 10 -1.425 -9.232 0.009 68 HB2 ALA 10 HB2 ALA 10 -3.197 -9.185 0.133 69 HB3 ALA 10 HB3 ALA 10 -2.215 -8.048 1.081 70 H GLN 11 H GLN 11 -4.725 -10.957 2.012 71 HA GLN 11 HA GLN 11 -5.642 -9.146 3.990 72 HB2 GLN 11 HB2 GLN 11 -7.054 -10.426 2.332 73 HB3 GLN 11 HB3 GLN 11 -6.773 -11.892 3.280 74 HG2 GLN 11 HG2 GLN 11 -7.869 -10.814 5.211 75 HG3 GLN 11 HG3 GLN 11 -8.129 -9.355 4.249 76 HE21 GLN 11 HE21 GLN 11 -10.517 -9.594 4.714 77 HE22 GLN 11 HE22 GLN 11 -11.413 -10.768 3.780 78 H GLU 12 H GLU 12 -3.529 -11.918 4.364 79 HA GLU 12 HA GLU 12 -4.327 -12.330 7.150 80 HB2 GLU 12 HB2 GLU 12 -4.174 -14.261 5.746 81 HB3 GLU 12 HB3 GLU 12 -2.536 -13.849 5.219 82 HG2 GLU 12 HG2 GLU 12 -1.570 -14.493 7.147 83 HG3 GLU 12 HG3 GLU 12 -2.913 -13.944 8.152 84 H LEU 13 H LEU 13 -1.253 -11.843 5.301 85 HA LEU 13 HA LEU 13 0.324 -11.232 7.498 86 HB2 LEU 13 HB2 LEU 13 1.874 -10.177 5.862 87 HB3 LEU 13 HB3 LEU 13 1.337 -11.805 5.511 88 HG LEU 13 HG LEU 13 -0.524 -10.540 4.076 89 HD11 LEU 13 HD11 LEU 13 1.788 -8.621 3.958 90 HD12 LEU 13 HD12 LEU 13 0.127 -8.227 4.457 91 HD13 LEU 13 HD13 LEU 13 0.435 -8.679 2.803 92 HD21 LEU 13 HD21 LEU 13 2.293 -10.919 3.056 93 HD22 LEU 13 HD22 LEU 13 0.791 -10.851 2.109 94 HD23 LEU 13 HD23 LEU 13 1.062 -12.201 3.213 95 H ILE 14 H ILE 14 -1.700 -8.899 5.636 96 HA ILE 14 HA ILE 14 -0.747 -6.573 6.911 97 HB ILE 14 HB ILE 14 -2.987 -7.405 5.273 98 HG12 ILE 14 HG12 ILE 14 -1.956 -4.598 5.405 99 HG13 ILE 14 HG13 ILE 14 -0.883 -5.872 4.844 100 HG21 ILE 14 HG21 ILE 14 -3.766 -5.418 7.330 101 HG22 ILE 14 HG22 ILE 14 -4.549 -5.560 5.735 102 HG23 ILE 14 HG23 ILE 14 -4.540 -6.940 6.843 103 HD11 ILE 14 HD11 ILE 14 -3.642 -5.643 3.649 104 HD12 ILE 14 HD12 ILE 14 -2.300 -4.645 3.095 105 HD13 ILE 14 HD13 ILE 14 -2.183 -6.433 3.013 106 H ALA 15 H ALA 15 -3.492 -8.687 7.984 107 HA ALA 15 HA ALA 15 -3.956 -7.192 10.369 108 HB1 ALA 15 HB1 ALA 15 -4.587 -10.086 9.653 109 HB2 ALA 15 HB2 ALA 15 -5.286 -9.191 11.021 110 HB3 ALA 15 HB3 ALA 15 -5.634 -8.676 9.362 111 H ARG 16 H ARG 16 -1.361 -9.254 9.578 112 HA ARG 16 HA ARG 16 -0.824 -10.106 12.353 113 HB2 ARG 16 HB2 ARG 16 0.706 -10.683 9.825 114 HB3 ARG 16 HB3 ARG 16 0.948 -11.443 11.388 115 HG2 ARG 16 HG2 ARG 16 -1.873 -11.680 10.441 116 HG3 ARG 16 HG3 ARG 16 -0.694 -12.304 9.302 117 HD2 ARG 16 HD2 ARG 16 0.319 -13.664 11.102 118 HD3 ARG 16 HD3 ARG 16 -0.960 -13.117 12.216 119 HE ARG 16 HE ARG 16 -2.309 -14.131 10.012 120 HH11 ARG 16 HH11 ARG 16 0.067 -15.344 12.296 121 HH12 ARG 16 HH12 ARG 16 -0.485 -16.993 12.238 122 HH21 ARG 16 HH21 ARG 16 -2.905 -16.354 9.685 123 HH22 ARG 16 HH22 ARG 16 -1.917 -17.596 10.341 124 H GLY 17 H GLY 17 0.323 -7.773 9.918 125 HA2 GLY 17 HA2 GLY 17 1.476 -5.945 11.489 126 HA3 GLY 17 HA3 GLY 17 2.755 -7.164 11.499 127 H ALA 18 H ALA 18 1.650 -7.586 8.413 128 HA ALA 18 HA ALA 18 3.871 -6.224 7.202 129 HB1 ALA 18 HB1 ALA 18 2.769 -8.077 6.126 130 HB2 ALA 18 HB2 ALA 18 1.222 -7.191 6.097 131 HB3 ALA 18 HB3 ALA 18 2.574 -6.625 5.113 132 H LYS 19 H LYS 19 4.047 -3.987 6.852 133 HA LYS 19 HA LYS 19 1.581 -2.344 7.210 134 HB2 LYS 19 HB2 LYS 19 4.417 -2.050 7.976 135 HB3 LYS 19 HB3 LYS 19 3.816 -0.652 7.088 136 HG2 LYS 19 HG2 LYS 19 3.379 -0.311 9.439 137 HG3 LYS 19 HG3 LYS 19 1.853 -0.520 8.563 138 HD2 LYS 19 HD2 LYS 19 2.014 -3.004 9.342 139 HD3 LYS 19 HD3 LYS 19 3.211 -2.416 10.504 140 HE2 LYS 19 HE2 LYS 19 1.529 -0.794 11.354 141 HE3 LYS 19 HE3 LYS 19 0.382 -1.318 10.116 142 HZ1 LYS 19 HZ1 LYS 19 1.385 -3.016 12.321 143 HZ2 LYS 19 HZ2 LYS 19 0.416 -3.504 11.066 144 HZ3 LYS 19 HZ3 LYS 19 -0.148 -2.425 12.132 145 H LEU 20 H LEU 20 0.635 -1.231 5.532 146 HA LEU 20 HA LEU 20 2.107 -1.273 2.950 147 HB2 LEU 20 HB2 LEU 20 -0.006 -2.416 2.957 148 HB3 LEU 20 HB3 LEU 20 -0.803 -1.034 3.688 149 HG LEU 20 HG LEU 20 -0.491 0.321 1.721 150 HD11 LEU 20 HD11 LEU 20 0.719 -2.098 0.359 151 HD12 LEU 20 HD12 LEU 20 1.606 -0.645 0.847 152 HD13 LEU 20 HD13 LEU 20 0.348 -0.494 -0.343 153 HD21 LEU 20 HD21 LEU 20 -1.568 -2.417 0.966 154 HD22 LEU 20 HD22 LEU 20 -2.057 -0.853 0.298 155 HD23 LEU 20 HD23 LEU 20 -2.427 -1.288 1.990 156 H ILE 21 H ILE 21 2.259 0.664 1.757 157 HA ILE 21 HA ILE 21 1.834 3.193 3.266 158 HB ILE 21 HB ILE 21 3.933 2.676 1.156 159 HG12 ILE 21 HG12 ILE 21 4.573 1.172 2.945 160 HG13 ILE 21 HG13 ILE 21 5.684 2.516 2.820 161 HG21 ILE 21 HG21 ILE 21 4.922 4.733 1.963 162 HG22 ILE 21 HG22 ILE 21 3.222 5.036 1.597 163 HG23 ILE 21 HG23 ILE 21 3.722 4.854 3.277 164 HD11 ILE 21 HD11 ILE 21 5.150 1.860 5.163 165 HD12 ILE 21 HD12 ILE 21 4.785 3.558 4.829 166 HD13 ILE 21 HD13 ILE 21 3.475 2.357 4.914 167 H ASP 22 H ASP 22 0.489 4.548 2.327 168 HA ASP 22 HA ASP 22 -0.703 3.866 -0.282 169 HB2 ASP 22 HB2 ASP 22 -1.410 5.680 2.058 170 HB3 ASP 22 HB3 ASP 22 -2.052 6.018 0.467 171 H ILE 23 H ILE 23 1.075 4.287 -1.591 172 HA ILE 23 HA ILE 23 2.219 7.019 -1.632 173 HB ILE 23 HB ILE 23 3.991 6.023 -2.995 174 HG12 ILE 23 HG12 ILE 23 2.798 3.258 -2.523 175 HG13 ILE 23 HG13 ILE 23 2.329 4.193 -3.937 176 HG21 ILE 23 HG21 ILE 23 5.087 4.566 -1.400 177 HG22 ILE 23 HG22 ILE 23 4.313 5.880 -0.536 178 HG23 ILE 23 HG23 ILE 23 3.568 4.261 -0.558 179 HD11 ILE 23 HD11 ILE 23 5.162 3.402 -3.281 180 HD12 ILE 23 HD12 ILE 23 4.106 2.702 -4.506 181 HD13 ILE 23 HD13 ILE 23 4.633 4.386 -4.677 182 H ARG 24 H ARG 24 -0.556 6.752 -2.895 183 HA ARG 24 HA ARG 24 0.201 6.979 -5.767 184 HB2 ARG 24 HB2 ARG 24 -2.559 6.961 -5.684 185 HB3 ARG 24 HB3 ARG 24 -1.472 5.705 -6.174 186 HG2 ARG 24 HG2 ARG 24 -3.033 4.813 -4.773 187 HG3 ARG 24 HG3 ARG 24 -1.493 4.715 -3.928 188 HD2 ARG 24 HD2 ARG 24 -2.423 5.757 -2.115 189 HD3 ARG 24 HD3 ARG 24 -2.999 7.107 -3.119 190 HE ARG 24 HE ARG 24 -4.714 5.402 -3.882 191 HH11 ARG 24 HH11 ARG 24 -4.051 6.283 -0.585 192 HH12 ARG 24 HH12 ARG 24 -4.915 5.004 0.190 193 HH21 ARG 24 HH21 ARG 24 -6.273 3.926 -3.005 194 HH22 ARG 24 HH22 ARG 24 -6.604 3.856 -1.302 195 H ASP 25 H ASP 25 -2.405 8.528 -3.815 196 HA ASP 25 HA ASP 25 -1.413 11.177 -4.466 197 HB2 ASP 25 HB2 ASP 25 -2.828 9.977 -6.432 198 HB3 ASP 25 HB3 ASP 25 -4.183 10.477 -5.436 199 H ALA 26 H ALA 26 -3.518 12.696 -3.802 200 HA ALA 26 HA ALA 26 -4.264 11.765 -1.061 201 HB1 ALA 26 HB1 ALA 26 -4.060 14.549 -2.253 202 HB2 ALA 26 HB2 ALA 26 -4.448 14.137 -0.569 203 HB3 ALA 26 HB3 ALA 26 -2.840 13.751 -1.228 204 H ASP 27 H ASP 27 -5.755 13.257 -4.045 205 HA ASP 27 HA ASP 27 -8.287 13.645 -2.719 206 HB2 ASP 27 HB2 ASP 27 -7.620 13.485 -5.665 207 HB3 ASP 27 HB3 ASP 27 -9.251 13.712 -5.069 208 H GLU 28 H GLU 28 -6.841 10.702 -3.845 209 HA GLU 28 HA GLU 28 -9.445 9.374 -4.181 210 HB2 GLU 28 HB2 GLU 28 -8.124 7.314 -4.492 211 HB3 GLU 28 HB3 GLU 28 -7.777 8.626 -5.618 212 HG2 GLU 28 HG2 GLU 28 -5.724 9.175 -4.185 213 HG3 GLU 28 HG3 GLU 28 -6.011 7.639 -3.370 214 H TYR 29 H TYR 29 -6.986 9.725 -1.657 215 HA TYR 29 HA TYR 29 -8.088 7.854 0.198 216 HB2 TYR 29 HB2 TYR 29 -5.755 8.636 0.279 217 HB3 TYR 29 HB3 TYR 29 -6.298 10.279 0.546 218 HD1 TYR 29 HD1 TYR 29 -7.226 6.984 2.203 219 HD2 TYR 29 HD2 TYR 29 -5.704 10.996 2.656 220 HE1 TYR 29 HE1 TYR 29 -7.036 6.648 4.660 221 HE2 TYR 29 HE2 TYR 29 -5.510 10.656 5.083 222 HH TYR 29 HH TYR 29 -5.640 9.144 6.809 223 H LEU 30 H LEU 30 -9.377 10.796 -0.902 224 HA LEU 30 HA LEU 30 -10.430 11.991 1.452 225 HB2 LEU 30 HB2 LEU 30 -9.921 13.048 -0.732 226 HB3 LEU 30 HB3 LEU 30 -11.157 12.055 -1.508 227 HG LEU 30 HG LEU 30 -12.015 13.767 0.763 228 HD11 LEU 30 HD11 LEU 30 -12.251 15.722 -0.767 229 HD12 LEU 30 HD12 LEU 30 -11.429 14.799 -2.049 230 HD13 LEU 30 HD13 LEU 30 -10.552 15.255 -0.582 231 HD21 LEU 30 HD21 LEU 30 -13.739 12.382 -0.374 232 HD22 LEU 30 HD22 LEU 30 -13.247 13.054 -1.950 233 HD23 LEU 30 HD23 LEU 30 -14.029 14.068 -0.741 234 H ARG 31 H ARG 31 -11.553 9.566 -0.840 235 HA ARG 31 HA ARG 31 -14.225 9.400 0.519 236 HB2 ARG 31 HB2 ARG 31 -13.305 8.205 -2.126 237 HB3 ARG 31 HB3 ARG 31 -14.952 8.191 -1.494 238 HG2 ARG 31 HG2 ARG 31 -15.187 10.566 -1.824 239 HG3 ARG 31 HG3 ARG 31 -13.443 10.751 -2.143 240 HD2 ARG 31 HD2 ARG 31 -13.608 9.311 -4.113 241 HD3 ARG 31 HD3 ARG 31 -15.371 9.220 -3.905 242 HE ARG 31 HE ARG 31 -14.708 11.939 -3.871 243 HH11 ARG 31 HH11 ARG 31 -14.247 9.311 -6.198 244 HH12 ARG 31 HH12 ARG 31 -14.176 10.384 -7.566 245 HH21 ARG 31 HH21 ARG 31 -14.771 13.293 -5.562 246 HH22 ARG 31 HH22 ARG 31 -14.778 12.726 -7.208 247 H GLU 32 H GLU 32 -11.624 7.353 -0.795 248 HA GLU 32 HA GLU 32 -12.518 5.039 0.845 249 HB2 GLU 32 HB2 GLU 32 -11.220 5.324 -1.914 250 HB3 GLU 32 HB3 GLU 32 -11.403 3.779 -1.096 251 HG2 GLU 32 HG2 GLU 32 -13.738 3.773 -1.317 252 HG3 GLU 32 HG3 GLU 32 -13.866 5.504 -1.551 253 H HIS 33 H HIS 33 -10.427 3.477 0.811 254 HA HIS 33 HA HIS 33 -7.961 4.978 1.372 255 HB2 HIS 33 HB2 HIS 33 -9.142 5.141 3.497 256 HB3 HIS 33 HB3 HIS 33 -9.347 3.394 3.533 257 HD1 HIS 33 HD1 HIS 33 -5.672 4.223 2.612 258 HD2 HIS 33 HD2 HIS 33 -8.194 3.936 6.033 259 HE1 HIS 33 HE1 HIS 33 -4.197 4.099 4.563 260 H ILE 34 H ILE 34 -7.879 1.918 2.908 261 HA ILE 34 HA ILE 34 -7.820 0.104 0.793 262 HB ILE 34 HB ILE 34 -5.559 1.965 0.826 263 HG12 ILE 34 HG12 ILE 34 -6.569 -0.090 -0.875 264 HG13 ILE 34 HG13 ILE 34 -5.669 1.366 -1.245 265 HG21 ILE 34 HG21 ILE 34 -3.624 0.789 1.258 266 HG22 ILE 34 HG22 ILE 34 -4.649 0.717 2.706 267 HG23 ILE 34 HG23 ILE 34 -4.501 -0.700 1.660 268 HD11 ILE 34 HD11 ILE 34 -4.589 -0.645 -2.165 269 HD12 ILE 34 HD12 ILE 34 -3.569 0.146 -0.954 270 HD13 ILE 34 HD13 ILE 34 -4.423 -1.347 -0.560 271 HA PRO 35 HA PRO 35 -7.204 -2.701 4.198 272 HB2 PRO 35 HB2 PRO 35 -5.633 -4.725 3.126 273 HB3 PRO 35 HB3 PRO 35 -7.354 -4.476 2.855 274 HG2 PRO 35 HG2 PRO 35 -5.126 -3.774 0.937 275 HG3 PRO 35 HG3 PRO 35 -6.647 -4.384 0.594 276 HD2 PRO 35 HD2 PRO 35 -6.192 -1.759 0.410 277 HD3 PRO 35 HD3 PRO 35 -7.785 -2.370 0.876 278 H GLU 36 H GLU 36 -6.158 -1.599 5.665 279 HA GLU 36 HA GLU 36 -4.716 -0.745 7.091 280 HB2 GLU 36 HB2 GLU 36 -4.753 -3.334 7.085 281 HB3 GLU 36 HB3 GLU 36 -3.105 -3.189 6.512 282 HG2 GLU 36 HG2 GLU 36 -2.527 -3.052 8.723 283 HG3 GLU 36 HG3 GLU 36 -3.213 -1.418 8.681 284 H ALA 37 H ALA 37 -4.019 1.074 5.649 285 HA ALA 37 HA ALA 37 -1.070 0.983 5.218 286 HB1 ALA 37 HB1 ALA 37 -2.279 0.746 3.107 287 HB2 ALA 37 HB2 ALA 37 -3.078 2.303 3.397 288 HB3 ALA 37 HB3 ALA 37 -1.318 2.224 3.164 289 H ASP 38 H ASP 38 -0.338 3.377 4.670 290 HA ASP 38 HA ASP 38 -1.654 5.412 6.383 291 HB2 ASP 38 HB2 ASP 38 0.177 4.304 7.678 292 HB3 ASP 38 HB3 ASP 38 1.321 4.773 6.409 293 H LEU 39 H LEU 39 -1.642 7.398 5.458 294 HA LEU 39 HA LEU 39 -1.051 7.749 2.752 295 HB2 LEU 39 HB2 LEU 39 -2.795 8.985 4.064 296 HB3 LEU 39 HB3 LEU 39 -1.521 9.866 4.893 297 HG LEU 39 HG LEU 39 -0.763 10.797 2.656 298 HD11 LEU 39 HD11 LEU 39 -3.315 9.450 1.686 299 HD12 LEU 39 HD12 LEU 39 -1.647 9.072 1.152 300 HD13 LEU 39 HD13 LEU 39 -2.367 10.639 0.754 301 HD21 LEU 39 HD21 LEU 39 -2.738 12.303 2.376 302 HD22 LEU 39 HD22 LEU 39 -2.202 12.148 4.061 303 HD23 LEU 39 HD23 LEU 39 -3.640 11.280 3.491 304 H ALA 40 H ALA 40 0.884 7.965 1.772 305 HA ALA 40 HA ALA 40 2.747 10.049 2.553 306 HB1 ALA 40 HB1 ALA 40 3.606 7.150 2.771 307 HB2 ALA 40 HB2 ALA 40 4.688 8.558 2.785 308 HB3 ALA 40 HB3 ALA 40 3.519 8.324 4.101 309 HA PRO 41 HA PRO 41 2.169 9.005 -1.970 310 HB2 PRO 41 HB2 PRO 41 2.337 11.649 -2.859 311 HB3 PRO 41 HB3 PRO 41 0.840 10.758 -2.502 312 HG2 PRO 41 HG2 PRO 41 2.313 12.722 -0.777 313 HG3 PRO 41 HG3 PRO 41 0.552 12.504 -0.962 314 HD2 PRO 41 HD2 PRO 41 1.905 11.527 1.201 315 HD3 PRO 41 HD3 PRO 41 0.517 10.664 0.494 316 H LEU 42 H LEU 42 3.697 9.493 -3.799 317 HA LEU 42 HA LEU 42 6.334 8.923 -3.184 318 HB2 LEU 42 HB2 LEU 42 5.278 8.650 -5.401 319 HB3 LEU 42 HB3 LEU 42 5.217 10.406 -5.601 320 HG LEU 42 HG LEU 42 7.747 10.456 -5.538 321 HD11 LEU 42 HD11 LEU 42 7.407 7.413 -5.585 322 HD12 LEU 42 HD12 LEU 42 8.213 8.378 -4.322 323 HD13 LEU 42 HD13 LEU 42 8.914 8.281 -5.934 324 HD21 LEU 42 HD21 LEU 42 6.506 8.659 -7.652 325 HD22 LEU 42 HD22 LEU 42 8.040 9.556 -7.796 326 HD23 LEU 42 HD23 LEU 42 6.517 10.437 -7.663 327 H SER 43 H SER 43 4.814 12.088 -3.439 328 HA SER 43 HA SER 43 7.056 13.759 -3.500 329 HB2 SER 43 HB2 SER 43 4.681 14.410 -3.811 330 HB3 SER 43 HB3 SER 43 4.375 14.150 -2.092 331 HG SER 43 HG SER 43 4.927 16.361 -3.030 332 H VAL 44 H VAL 44 5.388 12.282 -0.643 333 HA VAL 44 HA VAL 44 7.029 13.472 1.358 334 HB VAL 44 HB VAL 44 5.387 10.893 1.453 335 HG11 VAL 44 HG11 VAL 44 6.867 11.098 3.397 336 HG12 VAL 44 HG12 VAL 44 6.287 12.757 3.677 337 HG13 VAL 44 HG13 VAL 44 5.188 11.375 3.870 338 HG21 VAL 44 HG21 VAL 44 3.608 12.403 2.425 339 HG22 VAL 44 HG22 VAL 44 4.600 13.792 1.930 340 HG23 VAL 44 HG23 VAL 44 3.943 12.688 0.713 341 H LEU 45 H LEU 45 7.157 10.402 -0.433 342 HA LEU 45 HA LEU 45 9.307 9.197 1.021 343 HB2 LEU 45 HB2 LEU 45 8.386 8.832 -1.844 344 HB3 LEU 45 HB3 LEU 45 9.701 7.949 -1.184 345 HG LEU 45 HG LEU 45 7.131 7.083 -1.223 346 HD11 LEU 45 HD11 LEU 45 9.217 5.754 -0.710 347 HD12 LEU 45 HD12 LEU 45 7.786 5.274 0.205 348 HD13 LEU 45 HD13 LEU 45 9.029 6.256 0.992 349 HD21 LEU 45 HD21 LEU 45 6.207 6.945 1.014 350 HD22 LEU 45 HD22 LEU 45 6.309 8.625 0.552 351 HD23 LEU 45 HD23 LEU 45 7.534 7.950 1.679 352 H GLU 46 H GLU 46 9.261 11.374 -1.835 353 HA GLU 46 HA GLU 46 12.070 11.488 -2.294 354 HB2 GLU 46 HB2 GLU 46 9.578 13.043 -3.060 355 HB3 GLU 46 HB3 GLU 46 11.149 13.677 -3.462 356 HG2 GLU 46 HG2 GLU 46 10.411 10.852 -4.266 357 HG3 GLU 46 HG3 GLU 46 9.867 12.244 -5.203 358 H GLN 47 H GLN 47 9.763 13.554 -0.479 359 HA GLN 47 HA GLN 47 11.604 15.627 0.237 360 HB2 GLN 47 HB2 GLN 47 8.931 14.660 1.301 361 HB3 GLN 47 HB3 GLN 47 9.751 16.016 2.027 362 HG2 GLN 47 HG2 GLN 47 9.260 16.041 -0.946 363 HG3 GLN 47 HG3 GLN 47 7.946 16.405 0.159 364 HE21 GLN 47 HE21 GLN 47 7.823 18.485 0.990 365 HE22 GLN 47 HE22 GLN 47 9.025 19.730 0.619 366 H SER 48 H SER 48 10.958 12.433 1.648 367 HA SER 48 HA SER 48 13.158 12.888 3.522 368 HB2 SER 48 HB2 SER 48 11.011 13.796 4.604 369 HB3 SER 48 HB3 SER 48 10.466 12.113 4.676 370 HG SER 48 HG SER 48 12.562 13.438 5.992 371 H GLY 49 H GLY 49 10.424 10.454 3.492 372 HA2 GLY 49 HA2 GLY 49 11.321 8.422 2.024 373 HA3 GLY 49 HA3 GLY 49 12.442 8.327 3.392 374 H LEU 50 H LEU 50 11.653 6.383 4.050 375 HA LEU 50 HA LEU 50 8.963 5.674 4.565 376 HB2 LEU 50 HB2 LEU 50 10.810 4.043 4.155 377 HB3 LEU 50 HB3 LEU 50 11.544 4.515 5.681 378 HG LEU 50 HG LEU 50 9.261 3.811 6.782 379 HD11 LEU 50 HD11 LEU 50 8.003 2.134 5.559 380 HD12 LEU 50 HD12 LEU 50 9.064 2.324 4.145 381 HD13 LEU 50 HD13 LEU 50 7.994 3.641 4.639 382 HD21 LEU 50 HD21 LEU 50 11.405 1.982 5.727 383 HD22 LEU 50 HD22 LEU 50 10.018 1.318 6.578 384 HD23 LEU 50 HD23 LEU 50 11.080 2.513 7.367 385 HA PRO 51 HA PRO 51 8.810 7.896 8.550 386 HB2 PRO 51 HB2 PRO 51 6.261 7.144 9.318 387 HB3 PRO 51 HB3 PRO 51 6.586 8.404 8.064 388 HG2 PRO 51 HG2 PRO 51 5.972 5.466 7.704 389 HG3 PRO 51 HG3 PRO 51 5.225 6.860 6.843 390 HD2 PRO 51 HD2 PRO 51 7.196 5.341 5.807 391 HD3 PRO 51 HD3 PRO 51 7.140 7.114 5.508 392 H ALA 52 H ALA 52 9.142 7.311 10.703 393 HA ALA 52 HA ALA 52 9.993 4.780 11.451 394 HB1 ALA 52 HB1 ALA 52 10.472 6.878 12.657 395 HB2 ALA 52 HB2 ALA 52 8.796 6.931 13.249 396 HB3 ALA 52 HB3 ALA 52 9.876 5.616 13.749 397 H LYS 53 H LYS 53 6.624 6.027 11.615 398 HA LYS 53 HA LYS 53 5.667 3.997 13.379 399 HB2 LYS 53 HB2 LYS 53 3.691 4.683 11.318 400 HB3 LYS 53 HB3 LYS 53 3.573 4.722 13.056 401 HG2 LYS 53 HG2 LYS 53 4.750 6.950 13.036 402 HG3 LYS 53 HG3 LYS 53 4.752 6.894 11.267 403 HD2 LYS 53 HD2 LYS 53 2.310 6.939 13.087 404 HD3 LYS 53 HD3 LYS 53 2.887 8.255 12.054 405 HE2 LYS 53 HE2 LYS 53 2.499 6.777 10.039 406 HE3 LYS 53 HE3 LYS 53 1.785 5.562 11.122 407 HZ1 LYS 53 HZ1 LYS 53 0.160 6.942 10.036 408 HZ2 LYS 53 HZ2 LYS 53 0.760 8.287 10.672 409 HZ3 LYS 53 HZ3 LYS 53 0.048 7.136 11.661 410 H LEU 54 H LEU 54 5.745 4.029 9.757 411 HA LEU 54 HA LEU 54 4.974 1.189 9.745 412 HB2 LEU 54 HB2 LEU 54 5.371 3.057 7.392 413 HB3 LEU 54 HB3 LEU 54 4.525 1.530 7.442 414 HG LEU 54 HG LEU 54 2.838 3.038 7.249 415 HD11 LEU 54 HD11 LEU 54 2.951 2.650 10.260 416 HD12 LEU 54 HD12 LEU 54 2.201 1.590 9.054 417 HD13 LEU 54 HD13 LEU 54 1.531 3.171 9.334 418 HD21 LEU 54 HD21 LEU 54 2.553 5.101 8.667 419 HD22 LEU 54 HD22 LEU 54 3.755 5.116 7.391 420 HD23 LEU 54 HD23 LEU 54 4.253 4.955 9.090 421 H ARG 55 H ARG 55 7.612 1.881 10.716 422 HA ARG 55 HA ARG 55 9.471 1.116 8.599 423 HB2 ARG 55 HB2 ARG 55 11.176 1.760 10.014 424 HB3 ARG 55 HB3 ARG 55 9.871 2.852 10.397 425 HG2 ARG 55 HG2 ARG 55 10.231 2.282 12.573 426 HG3 ARG 55 HG3 ARG 55 9.404 0.757 12.195 427 HD2 ARG 55 HD2 ARG 55 11.941 0.241 11.348 428 HD3 ARG 55 HD3 ARG 55 12.303 1.434 12.586 429 HE ARG 55 HE ARG 55 10.583 -0.424 13.775 430 HH11 ARG 55 HH11 ARG 55 13.677 -0.711 11.992 431 HH12 ARG 55 HH12 ARG 55 14.279 -1.942 13.083 432 HH21 ARG 55 HH21 ARG 55 11.346 -2.501 14.775 433 HH22 ARG 55 HH22 ARG 55 13.006 -2.896 14.524 434 H HIS 56 H HIS 56 7.432 -0.695 10.113 435 HA HIS 56 HA HIS 56 8.414 -2.822 11.492 436 HB2 HIS 56 HB2 HIS 56 6.051 -2.150 10.029 437 HB3 HIS 56 HB3 HIS 56 6.535 -3.712 9.425 438 HD1 HIS 56 HD1 HIS 56 5.369 -5.564 10.715 439 HD2 HIS 56 HD2 HIS 56 5.979 -2.086 12.972 440 HE1 HIS 56 HE1 HIS 56 4.377 -6.041 13.011 441 H GLU 57 H GLU 57 9.268 -4.886 11.046 442 HA GLU 57 HA GLU 57 11.313 -5.065 9.227 443 HB2 GLU 57 HB2 GLU 57 10.510 -6.544 11.354 444 HB3 GLU 57 HB3 GLU 57 9.972 -7.617 10.083 445 HG2 GLU 57 HG2 GLU 57 12.201 -8.281 10.702 446 HG3 GLU 57 HG3 GLU 57 12.294 -7.556 9.109 447 H GLN 58 H GLN 58 8.006 -5.566 8.383 448 HA GLN 58 HA GLN 58 8.777 -6.397 5.669 449 HB2 GLN 58 HB2 GLN 58 6.497 -7.769 7.175 450 HB3 GLN 58 HB3 GLN 58 6.922 -7.971 5.507 451 HG2 GLN 58 HG2 GLN 58 9.195 -8.859 6.326 452 HG3 GLN 58 HG3 GLN 58 8.471 -8.881 7.939 453 HE21 GLN 58 HE21 GLN 58 9.447 -11.312 6.494 454 HE22 GLN 58 HE22 GLN 58 8.026 -12.254 6.125 455 H ILE 59 H ILE 59 7.826 -4.962 4.278 456 HA ILE 59 HA ILE 59 5.286 -3.738 5.025 457 HB ILE 59 HB ILE 59 5.878 -1.700 5.127 458 HG12 ILE 59 HG12 ILE 59 7.857 -1.929 2.872 459 HG13 ILE 59 HG13 ILE 59 6.196 -1.370 2.766 460 HG21 ILE 59 HG21 ILE 59 8.759 -2.506 5.444 461 HG22 ILE 59 HG22 ILE 59 7.958 -1.061 6.091 462 HG23 ILE 59 HG23 ILE 59 7.482 -2.628 6.685 463 HD11 ILE 59 HD11 ILE 59 8.372 0.050 4.226 464 HD12 ILE 59 HD12 ILE 59 7.553 0.532 2.725 465 HD13 ILE 59 HD13 ILE 59 6.649 0.468 4.259 466 H ILE 60 H ILE 60 4.379 -2.617 3.056 467 HA ILE 60 HA ILE 60 4.957 -3.982 0.501 468 HB ILE 60 HB ILE 60 2.165 -3.814 1.712 469 HG12 ILE 60 HG12 ILE 60 4.116 -6.110 1.462 470 HG13 ILE 60 HG13 ILE 60 3.323 -5.506 2.913 471 HG21 ILE 60 HG21 ILE 60 3.092 -5.154 -0.881 472 HG22 ILE 60 HG22 ILE 60 1.440 -5.180 -0.239 473 HG23 ILE 60 HG23 ILE 60 2.072 -3.691 -0.770 474 HD11 ILE 60 HD11 ILE 60 2.553 -7.732 2.137 475 HD12 ILE 60 HD12 ILE 60 1.239 -6.571 2.318 476 HD13 ILE 60 HD13 ILE 60 1.879 -7.008 0.696 477 H PHE 61 H PHE 61 3.867 -2.840 -1.244 478 HA PHE 61 HA PHE 61 3.252 0.045 -0.843 479 HB2 PHE 61 HB2 PHE 61 5.320 -1.270 -2.639 480 HB3 PHE 61 HB3 PHE 61 4.588 0.266 -3.099 481 HD1 PHE 61 HD1 PHE 61 4.580 2.114 -1.101 482 HD2 PHE 61 HD2 PHE 61 7.299 -1.168 -1.511 483 HE1 PHE 61 HE1 PHE 61 6.243 3.319 0.302 484 HE2 PHE 61 HE2 PHE 61 8.976 0.030 -0.106 485 HZ PHE 61 HZ PHE 61 8.450 2.294 0.782 486 H HIS 62 H HIS 62 1.747 0.886 -2.453 487 HA HIS 62 HA HIS 62 0.766 -0.954 -4.502 488 HB2 HIS 62 HB2 HIS 62 -1.336 -1.188 -3.729 489 HB3 HIS 62 HB3 HIS 62 -0.593 -1.109 -2.169 490 HD1 HIS 62 HD1 HIS 62 -0.838 1.651 -1.027 491 HD2 HIS 62 HD2 HIS 62 -3.203 0.468 -4.326 492 HE1 HIS 62 HE1 HIS 62 -2.621 3.413 -1.362 493 H CYS 63 H CYS 63 -1.092 0.420 -5.737 494 HA CYS 63 HA CYS 63 -0.629 3.282 -5.665 495 HB2 CYS 63 HB2 CYS 63 1.293 2.350 -6.999 496 HB3 CYS 63 HB3 CYS 63 0.140 1.764 -8.203 497 HG CYS 63 HG CYS 63 0.715 4.844 -7.086 498 H GLN 64 H GLN 64 -1.741 1.747 -8.648 499 HA GLN 64 HA GLN 64 -4.554 1.742 -7.797 500 HB2 GLN 64 HB2 GLN 64 -3.289 3.799 -9.541 501 HB3 GLN 64 HB3 GLN 64 -4.718 3.019 -10.229 502 HG2 GLN 64 HG2 GLN 64 -6.023 3.652 -8.210 503 HG3 GLN 64 HG3 GLN 64 -4.600 4.503 -7.580 504 HE21 GLN 64 HE21 GLN 64 -5.317 6.743 -7.748 505 HE22 GLN 64 HE22 GLN 64 -5.701 7.422 -9.332 506 H ALA 65 H ALA 65 -5.830 0.981 -9.869 507 HA ALA 65 HA ALA 65 -4.819 -1.576 -10.605 508 HB1 ALA 65 HB1 ALA 65 -7.035 -1.820 -11.606 509 HB2 ALA 65 HB2 ALA 65 -7.181 -1.077 -9.998 510 HB3 ALA 65 HB3 ALA 65 -7.342 -0.083 -11.459 511 H GLY 66 H GLY 66 -3.019 -0.516 -11.598 512 HA2 GLY 66 HA2 GLY 66 -2.385 -1.170 -14.081 513 HA3 GLY 66 HA3 GLY 66 -3.433 0.172 -14.506 514 H LYS 67 H LYS 67 -2.159 1.510 -11.903 515 HA LYS 67 HA LYS 67 -0.267 3.033 -13.454 516 HB2 LYS 67 HB2 LYS 67 -1.138 3.098 -10.569 517 HB3 LYS 67 HB3 LYS 67 0.348 3.925 -11.035 518 HG2 LYS 67 HG2 LYS 67 -1.470 5.475 -11.141 519 HG3 LYS 67 HG3 LYS 67 -0.786 5.216 -12.746 520 HD2 LYS 67 HD2 LYS 67 -2.690 3.830 -13.409 521 HD3 LYS 67 HD3 LYS 67 -3.293 3.819 -11.759 522 HE2 LYS 67 HE2 LYS 67 -4.642 5.394 -12.799 523 HE3 LYS 67 HE3 LYS 67 -3.461 6.368 -11.926 524 HZ1 LYS 67 HZ1 LYS 67 -3.814 7.120 -14.177 525 HZ2 LYS 67 HZ2 LYS 67 -3.273 5.695 -14.807 526 HZ3 LYS 67 HZ3 LYS 67 -2.254 6.662 -13.966 527 H ARG 68 H ARG 68 0.219 -0.012 -12.122 528 HA ARG 68 HA ARG 68 2.005 -1.242 -11.628 529 HB2 ARG 68 HB2 ARG 68 2.230 -0.259 -14.188 530 HB3 ARG 68 HB3 ARG 68 3.789 0.199 -13.546 531 HG2 ARG 68 HG2 ARG 68 4.004 -1.960 -14.557 532 HG3 ARG 68 HG3 ARG 68 4.142 -2.183 -12.823 533 HD2 ARG 68 HD2 ARG 68 2.710 -3.948 -13.662 534 HD3 ARG 68 HD3 ARG 68 1.660 -2.848 -12.826 535 HE ARG 68 HE ARG 68 0.756 -2.086 -14.844 536 HH11 ARG 68 HH11 ARG 68 3.216 -4.615 -15.434 537 HH12 ARG 68 HH12 ARG 68 2.650 -4.920 -17.044 538 HH21 ARG 68 HH21 ARG 68 0.084 -2.479 -17.000 539 HH22 ARG 68 HH22 ARG 68 0.961 -3.534 -18.003 540 H THR 69 H THR 69 2.295 -0.704 -9.539 541 HA THR 69 HA THR 69 3.645 1.505 -8.434 542 HB THR 69 HB THR 69 3.755 -1.275 -7.271 543 HG1 THR 69 HG1 THR 69 1.623 -0.902 -8.069 544 HG21 THR 69 HG21 THR 69 4.809 0.560 -5.974 545 HG22 THR 69 HG22 THR 69 3.393 -0.129 -5.164 546 HG23 THR 69 HG23 THR 69 3.252 1.429 -6.013 547 H SER 70 H SER 70 4.931 -1.459 -9.878 548 HA SER 70 HA SER 70 7.573 -1.419 -9.102 549 HB2 SER 70 HB2 SER 70 6.473 -3.259 -10.103 550 HB3 SER 70 HB3 SER 70 6.138 -2.344 -11.576 551 HG SER 70 HG SER 70 8.735 -3.191 -10.724 552 H ASN 71 H ASN 71 5.954 0.792 -11.126 553 HA ASN 71 HA ASN 71 8.102 1.652 -12.823 554 HB2 ASN 71 HB2 ASN 71 5.645 2.051 -13.121 555 HB3 ASN 71 HB3 ASN 71 5.786 3.411 -11.998 556 HD21 ASN 71 HD21 ASN 71 5.525 5.213 -13.487 557 HD22 ASN 71 HD22 ASN 71 6.511 5.370 -14.921 558 H ASN 72 H ASN 72 7.941 2.053 -9.540 559 HA ASN 72 HA ASN 72 10.094 4.073 -9.544 560 HB2 ASN 72 HB2 ASN 72 7.696 4.364 -7.692 561 HB3 ASN 72 HB3 ASN 72 9.173 5.321 -7.689 562 HD21 ASN 72 HD21 ASN 72 6.148 4.727 -9.431 563 HD22 ASN 72 HD22 ASN 72 6.312 6.067 -10.558 564 H ALA 73 H ALA 73 9.108 1.079 -8.873 565 HA ALA 73 HA ALA 73 9.413 0.550 -6.167 566 HB1 ALA 73 HB1 ALA 73 9.882 -1.137 -8.588 567 HB2 ALA 73 HB2 ALA 73 10.150 -1.746 -6.952 568 HB3 ALA 73 HB3 ALA 73 8.554 -1.153 -7.361 569 H ASP 74 H ASP 74 12.069 1.313 -8.350 570 HA ASP 74 HA ASP 74 14.145 -0.024 -6.863 571 HB2 ASP 74 HB2 ASP 74 14.054 2.167 -8.908 572 HB3 ASP 74 HB3 ASP 74 15.437 2.215 -7.829 573 H LYS 75 H LYS 75 13.230 3.424 -6.871 574 HA LYS 75 HA LYS 75 14.715 4.059 -4.550 575 HB2 LYS 75 HB2 LYS 75 12.503 5.366 -6.124 576 HB3 LYS 75 HB3 LYS 75 12.620 5.841 -4.438 577 HG2 LYS 75 HG2 LYS 75 14.879 6.066 -6.447 578 HG3 LYS 75 HG3 LYS 75 13.842 7.357 -5.816 579 HD2 LYS 75 HD2 LYS 75 14.681 6.426 -3.462 580 HD3 LYS 75 HD3 LYS 75 16.035 5.860 -4.416 581 HE2 LYS 75 HE2 LYS 75 15.141 8.709 -3.901 582 HE3 LYS 75 HE3 LYS 75 16.695 7.951 -3.553 583 HZ1 LYS 75 HZ1 LYS 75 17.040 9.290 -5.399 584 HZ2 LYS 75 HZ2 LYS 75 15.646 8.838 -6.140 585 HZ3 LYS 75 HZ3 LYS 75 16.921 7.772 -6.041 586 H LEU 76 H LEU 76 11.284 3.294 -4.877 587 HA LEU 76 HA LEU 76 10.462 3.466 -2.197 588 HB2 LEU 76 HB2 LEU 76 9.632 1.384 -4.238 589 HB3 LEU 76 HB3 LEU 76 8.777 1.682 -2.736 590 HG LEU 76 HG LEU 76 9.066 3.758 -4.938 591 HD11 LEU 76 HD11 LEU 76 6.699 3.226 -5.499 592 HD12 LEU 76 HD12 LEU 76 6.716 1.905 -4.299 593 HD13 LEU 76 HD13 LEU 76 7.720 1.826 -5.746 594 HD21 LEU 76 HD21 LEU 76 8.717 4.806 -2.809 595 HD22 LEU 76 HD22 LEU 76 7.377 3.711 -2.430 596 HD23 LEU 76 HD23 LEU 76 7.225 4.900 -3.748 597 H ALA 77 H ALA 77 12.198 0.796 -3.742 598 HA ALA 77 HA ALA 77 12.083 -1.048 -1.533 599 HB1 ALA 77 HB1 ALA 77 13.880 -2.252 -2.693 600 HB2 ALA 77 HB2 ALA 77 12.525 -1.897 -3.760 601 HB3 ALA 77 HB3 ALA 77 14.012 -0.955 -3.891 602 H ALA 78 H ALA 78 14.793 0.903 -2.921 603 HA ALA 78 HA ALA 78 16.662 0.517 -0.865 604 HB1 ALA 78 HB1 ALA 78 17.158 1.454 -3.104 605 HB2 ALA 78 HB2 ALA 78 16.304 2.952 -2.668 606 HB3 ALA 78 HB3 ALA 78 17.784 2.486 -1.801 607 H ILE 79 H ILE 79 13.938 2.684 -0.945 608 HA ILE 79 HA ILE 79 14.730 4.399 1.249 609 HB ILE 79 HB ILE 79 12.321 3.969 -0.495 610 HG12 ILE 79 HG12 ILE 79 13.899 6.456 0.326 611 HG13 ILE 79 HG13 ILE 79 14.297 5.438 -1.058 612 HG21 ILE 79 HG21 ILE 79 11.089 5.713 0.749 613 HG22 ILE 79 HG22 ILE 79 11.126 4.115 1.468 614 HG23 ILE 79 HG23 ILE 79 12.167 5.428 2.128 615 HD11 ILE 79 HD11 ILE 79 11.841 7.179 -0.717 616 HD12 ILE 79 HD12 ILE 79 13.110 7.224 -1.936 617 HD13 ILE 79 HD13 ILE 79 11.947 5.890 -1.951 618 H ALA 80 H ALA 80 12.589 1.390 0.966 619 HA ALA 80 HA ALA 80 12.114 1.686 3.858 620 HB1 ALA 80 HB1 ALA 80 10.220 1.449 2.409 621 HB2 ALA 80 HB2 ALA 80 10.869 -0.060 1.779 622 HB3 ALA 80 HB3 ALA 80 10.405 0.069 3.507 623 H ALA 81 H ALA 81 14.260 0.035 1.796 624 HA ALA 81 HA ALA 81 14.654 -2.399 3.156 625 HB1 ALA 81 HB1 ALA 81 15.540 -1.923 0.943 626 HB2 ALA 81 HB2 ALA 81 16.550 -0.594 1.577 627 HB3 ALA 81 HB3 ALA 81 16.902 -2.268 2.019 628 HA PRO 82 HA PRO 82 17.097 -3.509 3.693 629 HB2 PRO 82 HB2 PRO 82 17.928 -4.818 5.940 630 HB3 PRO 82 HB3 PRO 82 18.922 -3.641 5.037 631 HG2 PRO 82 HG2 PRO 82 17.245 -3.163 7.513 632 HG3 PRO 82 HG3 PRO 82 18.945 -2.684 7.218 633 HD2 PRO 82 HD2 PRO 82 16.870 -0.934 6.829 634 HD3 PRO 82 HD3 PRO 82 18.295 -0.939 5.769 635 H ALA 83 H ALA 83 14.328 -2.711 5.494 636 HA ALA 83 HA ALA 83 13.402 -5.246 6.346 637 HB1 ALA 83 HB1 ALA 83 11.173 -4.155 6.277 638 HB2 ALA 83 HB2 ALA 83 12.377 -3.081 7.006 639 HB3 ALA 83 HB3 ALA 83 11.842 -2.827 5.326 640 H GLU 84 H GLU 84 11.511 -6.416 5.330 641 HA GLU 84 HA GLU 84 12.147 -7.077 2.540 642 HB2 GLU 84 HB2 GLU 84 10.430 -8.270 4.713 643 HB3 GLU 84 HB3 GLU 84 10.203 -8.772 3.046 644 HG2 GLU 84 HG2 GLU 84 12.855 -8.954 4.525 645 HG3 GLU 84 HG3 GLU 84 11.695 -10.277 4.363 646 H ILE 85 H ILE 85 11.253 -5.787 1.001 647 HA ILE 85 HA ILE 85 8.544 -4.639 1.421 648 HB ILE 85 HB ILE 85 10.955 -3.894 -0.277 649 HG12 ILE 85 HG12 ILE 85 10.959 -1.937 0.837 650 HG13 ILE 85 HG13 ILE 85 9.215 -1.899 1.105 651 HG21 ILE 85 HG21 ILE 85 9.203 -3.791 -1.905 652 HG22 ILE 85 HG22 ILE 85 8.151 -2.932 -0.782 653 HG23 ILE 85 HG23 ILE 85 9.643 -2.153 -1.403 654 HD11 ILE 85 HD11 ILE 85 11.194 -3.503 2.742 655 HD12 ILE 85 HD12 ILE 85 10.380 -2.033 3.243 656 HD13 ILE 85 HD13 ILE 85 9.418 -3.464 2.998 657 H PHE 86 H PHE 86 6.902 -4.835 -0.047 658 HA PHE 86 HA PHE 86 7.178 -6.539 -2.384 659 HB2 PHE 86 HB2 PHE 86 4.938 -7.061 -0.390 660 HB3 PHE 86 HB3 PHE 86 5.380 -8.046 -1.762 661 HD1 PHE 86 HD1 PHE 86 6.036 -7.323 1.756 662 HD2 PHE 86 HD2 PHE 86 7.446 -9.474 -1.679 663 HE1 PHE 86 HE1 PHE 86 7.426 -8.756 3.232 664 HE2 PHE 86 HE2 PHE 86 8.834 -10.909 -0.227 665 HZ PHE 86 HZ PHE 86 8.804 -10.571 2.252 666 H LEU 87 H LEU 87 4.883 -6.705 -3.463 667 HA LEU 87 HA LEU 87 3.716 -3.989 -3.610 668 HB2 LEU 87 HB2 LEU 87 5.147 -5.636 -5.599 669 HB3 LEU 87 HB3 LEU 87 3.520 -5.271 -6.114 670 HG LEU 87 HG LEU 87 3.937 -2.868 -5.668 671 HD11 LEU 87 HD11 LEU 87 6.255 -2.010 -5.796 672 HD12 LEU 87 HD12 LEU 87 6.876 -3.664 -5.616 673 HD13 LEU 87 HD13 LEU 87 5.978 -2.903 -4.284 674 HD21 LEU 87 HD21 LEU 87 5.567 -4.405 -7.726 675 HD22 LEU 87 HD22 LEU 87 5.359 -2.664 -7.808 676 HD23 LEU 87 HD23 LEU 87 3.941 -3.732 -7.940 677 H LEU 88 H LEU 88 1.607 -4.161 -3.091 678 HA LEU 88 HA LEU 88 0.262 -6.722 -2.956 679 HB2 LEU 88 HB2 LEU 88 -0.287 -4.184 -1.939 680 HB3 LEU 88 HB3 LEU 88 -1.529 -4.363 -3.174 681 HG LEU 88 HG LEU 88 -0.961 -6.283 -0.865 682 HD11 LEU 88 HD11 LEU 88 -3.338 -4.424 -1.319 683 HD12 LEU 88 HD12 LEU 88 -1.979 -4.097 -0.265 684 HD13 LEU 88 HD13 LEU 88 -3.024 -5.461 0.110 685 HD21 LEU 88 HD21 LEU 88 -3.169 -7.327 -1.460 686 HD22 LEU 88 HD22 LEU 88 -1.896 -7.658 -2.607 687 HD23 LEU 88 HD23 LEU 88 -3.142 -6.437 -2.996 688 H GLU 89 H GLU 89 -1.261 -7.616 -4.382 689 HA GLU 89 HA GLU 89 -0.824 -7.506 -7.082 690 HB2 GLU 89 HB2 GLU 89 -1.943 -9.324 -5.990 691 HB3 GLU 89 HB3 GLU 89 -3.312 -8.283 -5.537 692 HG2 GLU 89 HG2 GLU 89 -3.945 -8.032 -7.895 693 HG3 GLU 89 HG3 GLU 89 -2.478 -8.885 -8.402 694 H ASP 90 H ASP 90 -1.420 -6.329 -8.719 695 HA ASP 90 HA ASP 90 -2.040 -4.488 -9.883 696 HB2 ASP 90 HB2 ASP 90 -4.611 -5.790 -8.978 697 HB3 ASP 90 HB3 ASP 90 -4.561 -4.505 -10.201 698 H GLY 91 H GLY 91 -1.327 -3.774 -7.206 699 HA2 GLY 91 HA2 GLY 91 -1.158 -1.847 -6.009 700 HA3 GLY 91 HA3 GLY 91 -2.129 -1.020 -7.255 701 H ILE 92 H ILE 92 -4.373 -0.922 -7.015 702 HA ILE 92 HA ILE 92 -5.447 -1.602 -4.316 703 HB ILE 92 HB ILE 92 -5.285 0.811 -5.534 704 HG12 ILE 92 HG12 ILE 92 -5.854 0.869 -3.368 705 HG13 ILE 92 HG13 ILE 92 -7.231 1.587 -4.153 706 HG21 ILE 92 HG21 ILE 92 -6.706 0.123 -7.449 707 HG22 ILE 92 HG22 ILE 92 -8.081 -0.018 -6.327 708 HG23 ILE 92 HG23 ILE 92 -7.286 1.544 -6.571 709 HD11 ILE 92 HD11 ILE 92 -7.082 -1.140 -2.839 710 HD12 ILE 92 HD12 ILE 92 -8.087 0.243 -2.410 711 HD13 ILE 92 HD13 ILE 92 -8.434 -0.638 -3.907 712 H ASP 93 H ASP 93 -5.663 -2.465 -7.718 713 HA ASP 93 HA ASP 93 -8.381 -3.254 -7.657 714 HB2 ASP 93 HB2 ASP 93 -6.510 -3.189 -9.652 715 HB3 ASP 93 HB3 ASP 93 -6.596 -4.919 -9.329 716 H GLY 94 H GLY 94 -5.463 -4.919 -6.454 717 HA2 GLY 94 HA2 GLY 94 -6.406 -7.529 -6.261 718 HA3 GLY 94 HA3 GLY 94 -5.230 -6.776 -5.181 719 H TRP 95 H TRP 95 -6.729 -4.841 -3.844 720 HA TRP 95 HA TRP 95 -7.941 -6.214 -1.764 721 HB2 TRP 95 HB2 TRP 95 -7.266 -3.904 -1.637 722 HB3 TRP 95 HB3 TRP 95 -8.666 -3.423 -2.585 723 HD1 TRP 95 HD1 TRP 95 -10.402 -2.460 -1.068 724 HE1 TRP 95 HE1 TRP 95 -11.323 -2.907 1.318 725 HE3 TRP 95 HE3 TRP 95 -7.548 -6.528 0.307 726 HZ2 TRP 95 HZ2 TRP 95 -10.799 -4.583 3.532 727 HZ3 TRP 95 HZ3 TRP 95 -7.761 -7.480 2.556 728 HH2 TRP 95 HH2 TRP 95 -9.400 -6.541 4.188 729 H LYS 96 H LYS 96 -9.443 -4.449 -4.500 730 HA LYS 96 HA LYS 96 -12.124 -5.394 -4.042 731 HB2 LYS 96 HB2 LYS 96 -11.527 -3.239 -5.124 732 HB3 LYS 96 HB3 LYS 96 -10.960 -4.115 -6.556 733 HG2 LYS 96 HG2 LYS 96 -13.182 -4.944 -7.025 734 HG3 LYS 96 HG3 LYS 96 -13.789 -4.405 -5.443 735 HD2 LYS 96 HD2 LYS 96 -13.515 -2.072 -6.083 736 HD3 LYS 96 HD3 LYS 96 -12.768 -2.551 -7.626 737 HE2 LYS 96 HE2 LYS 96 -14.886 -3.815 -8.181 738 HE3 LYS 96 HE3 LYS 96 -15.620 -3.141 -6.713 739 HZ1 LYS 96 HZ1 LYS 96 -15.222 -0.927 -7.649 740 HZ2 LYS 96 HZ2 LYS 96 -16.175 -1.830 -8.664 741 HZ3 LYS 96 HZ3 LYS 96 -14.581 -1.577 -8.999 742 H LYS 97 H LYS 97 -9.448 -6.901 -5.773 743 HA LYS 97 HA LYS 97 -10.938 -8.510 -7.601 744 HB2 LYS 97 HB2 LYS 97 -8.446 -8.034 -7.570 745 HB3 LYS 97 HB3 LYS 97 -8.279 -9.197 -6.269 746 HG2 LYS 97 HG2 LYS 97 -9.444 -9.912 -8.979 747 HG3 LYS 97 HG3 LYS 97 -7.716 -9.839 -8.670 748 HD2 LYS 97 HD2 LYS 97 -8.265 -11.509 -6.675 749 HD3 LYS 97 HD3 LYS 97 -9.747 -11.786 -7.609 750 HE2 LYS 97 HE2 LYS 97 -8.186 -13.446 -8.341 751 HE3 LYS 97 HE3 LYS 97 -8.281 -12.236 -9.628 752 HZ1 LYS 97 HZ1 LYS 97 -6.222 -11.352 -8.053 753 HZ2 LYS 97 HZ2 LYS 97 -6.046 -12.122 -9.447 754 HZ3 LYS 97 HZ3 LYS 97 -5.980 -12.962 -8.039 755 H ALA 98 H ALA 98 -9.890 -8.952 -4.228 756 HA ALA 98 HA ALA 98 -11.280 -11.515 -3.929 757 HB1 ALA 98 HB1 ALA 98 -9.917 -9.632 -1.950 758 HB2 ALA 98 HB2 ALA 98 -10.544 -11.251 -1.555 759 HB3 ALA 98 HB3 ALA 98 -9.205 -11.073 -2.698 760 H GLY 99 H GLY 99 -12.642 -8.593 -4.475 761 HA2 GLY 99 HA2 GLY 99 -14.636 -7.637 -4.052 762 HA3 GLY 99 HA3 GLY 99 -15.125 -9.195 -3.366 763 H LEU 100 H LEU 100 -12.434 -7.204 -2.024 764 HA LEU 100 HA LEU 100 -13.903 -7.108 0.507 765 HB2 LEU 100 HB2 LEU 100 -11.014 -6.540 -0.164 766 HB3 LEU 100 HB3 LEU 100 -11.708 -6.637 1.459 767 HG LEU 100 HG LEU 100 -11.641 -8.954 -0.516 768 HD11 LEU 100 HD11 LEU 100 -9.832 -8.632 1.874 769 HD12 LEU 100 HD12 LEU 100 -9.336 -8.340 0.193 770 HD13 LEU 100 HD13 LEU 100 -9.842 -9.954 0.694 771 HD21 LEU 100 HD21 LEU 100 -13.421 -9.185 1.129 772 HD22 LEU 100 HD22 LEU 100 -12.279 -8.847 2.452 773 HD23 LEU 100 HD23 LEU 100 -12.125 -10.329 1.473 774 HA PRO 101 HA PRO 101 -14.602 -2.775 -0.318 775 HB2 PRO 101 HB2 PRO 101 -15.910 -2.032 1.933 776 HB3 PRO 101 HB3 PRO 101 -16.586 -3.279 0.838 777 HG2 PRO 101 HG2 PRO 101 -15.031 -3.676 3.411 778 HG3 PRO 101 HG3 PRO 101 -16.547 -4.476 2.904 779 HD2 PRO 101 HD2 PRO 101 -13.989 -5.553 2.561 780 HD3 PRO 101 HD3 PRO 101 -15.404 -5.972 1.549 781 H VAL 102 H VAL 102 -13.479 -0.718 -0.017 782 HA VAL 102 HA VAL 102 -11.197 -0.613 1.699 783 HB VAL 102 HB VAL 102 -11.775 1.958 0.702 784 HG11 VAL 102 HG11 VAL 102 -10.224 -0.254 -0.641 785 HG12 VAL 102 HG12 VAL 102 -10.036 1.498 -0.912 786 HG13 VAL 102 HG13 VAL 102 -9.725 0.805 0.691 787 HG21 VAL 102 HG21 VAL 102 -13.689 1.301 -0.672 788 HG22 VAL 102 HG22 VAL 102 -12.308 1.759 -1.679 789 HG23 VAL 102 HG23 VAL 102 -12.695 0.056 -1.482 790 H ALA 103 H ALA 103 -10.847 1.157 3.272 791 HA ALA 103 HA ALA 103 -13.175 1.505 4.970 792 HB1 ALA 103 HB1 ALA 103 -10.395 2.693 5.259 793 HB2 ALA 103 HB2 ALA 103 -11.694 2.755 6.453 794 HB3 ALA 103 HB3 ALA 103 -10.996 1.192 5.997 795 H VAL 104 H VAL 104 -14.652 2.649 4.116 796 HA VAL 104 HA VAL 104 -14.216 5.405 3.073 797 HB VAL 104 HB VAL 104 -16.503 5.068 2.038 798 HG11 VAL 104 HG11 VAL 104 -14.350 3.106 1.139 799 HG12 VAL 104 HG12 VAL 104 -15.804 3.547 0.197 800 HG13 VAL 104 HG13 VAL 104 -14.631 4.775 0.592 801 HG21 VAL 104 HG21 VAL 104 -17.287 3.194 3.506 802 HG22 VAL 104 HG22 VAL 104 -17.428 2.855 1.780 803 HG23 VAL 104 HG23 VAL 104 -16.097 2.133 2.721 804 H ASN 105 H ASN 105 -15.888 6.962 3.760 805 HA ASN 105 HA ASN 105 -16.888 6.375 6.503 806 HB2 ASN 105 HB2 ASN 105 -15.300 8.177 6.288 807 HB3 ASN 105 HB3 ASN 105 -16.287 8.977 5.072 808 HD21 ASN 105 HD21 ASN 105 -17.787 10.426 5.829 809 HD22 ASN 105 HD22 ASN 105 -18.366 10.536 7.481 810 H LYS 106 H LYS 106 -18.271 5.061 4.743 811 HA LYS 106 HA LYS 106 -20.289 4.478 4.048 812 HB2 LYS 106 HB2 LYS 106 -21.087 5.232 6.150 813 HB3 LYS 106 HB3 LYS 106 -21.235 6.890 5.604 814 HG2 LYS 106 HG2 LYS 106 -22.856 4.675 4.299 815 HG3 LYS 106 HG3 LYS 106 -23.331 5.428 5.818 816 HD2 LYS 106 HD2 LYS 106 -23.050 7.709 4.573 817 HD3 LYS 106 HD3 LYS 106 -23.108 6.758 3.108 818 HE2 LYS 106 HE2 LYS 106 -25.280 7.612 3.559 819 HE3 LYS 106 HE3 LYS 106 -25.336 5.856 3.781 820 HZ1 LYS 106 HZ1 LYS 106 -26.403 7.379 5.504 821 HZ2 LYS 106 HZ2 LYS 106 -24.879 7.679 6.054 822 HZ3 LYS 106 HZ3 LYS 106 -25.505 6.132 6.069 823 H SER 107 H SER 107 -19.583 7.916 3.227 824 HA SER 107 HA SER 107 -21.316 7.765 0.872 825 HB2 SER 107 HB2 SER 107 -19.138 9.751 1.646 826 HB3 SER 107 HB3 SER 107 -20.314 9.952 0.339 827 HG SER 107 HG SER 107 -20.888 11.007 2.302 828 H GLN 108 H GLN 108 -20.510 7.775 -1.364 829 HA GLN 108 HA GLN 108 -17.835 6.495 -1.711 830 HB2 GLN 108 HB2 GLN 108 -20.409 6.025 -3.308 831 HB3 GLN 108 HB3 GLN 108 -18.791 5.530 -3.799 832 HG2 GLN 108 HG2 GLN 108 -18.677 4.197 -1.609 833 HG3 GLN 108 HG3 GLN 108 -20.407 4.495 -1.445 834 HE21 GLN 108 HE21 GLN 108 -20.524 2.026 -1.515 835 HE22 GLN 108 HE22 GLN 108 -20.519 1.232 -3.058
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