NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18120 | 2dib | 10321 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.594 45.992 22.188 2 HA2 GLY 1 1HA GLY 1 -8.081 44.230 23.689 3 HA3 GLY 1 2HA GLY 1 -8.992 45.359 24.680 4 H SER 2 H SER 2 -9.428 42.686 23.041 5 HA SER 2 HA SER 2 -12.205 43.306 22.447 6 HB2 SER 2 1HB SER 2 -11.019 43.710 20.310 7 HB3 SER 2 2HB SER 2 -10.396 42.061 20.361 8 HG SER 2 HG SER 2 -12.794 42.948 19.511 9 H SER 3 H SER 3 -13.264 41.843 23.600 10 HA SER 3 HA SER 3 -12.877 39.043 23.158 11 HB2 SER 3 1HB SER 3 -11.064 39.404 24.762 12 HB3 SER 3 2HB SER 3 -12.190 40.164 25.887 13 HG SER 3 HG SER 3 -12.921 37.650 25.016 14 H GLY 4 H GLY 4 -14.782 38.047 23.366 15 HA2 GLY 4 1HA GLY 4 -16.781 39.193 25.198 16 HA3 GLY 4 2HA GLY 4 -17.207 38.913 23.516 17 H SER 5 H SER 5 -15.495 37.035 26.020 18 HA SER 5 HA SER 5 -17.545 35.055 26.159 19 HB2 SER 5 1HB SER 5 -16.236 33.182 25.214 20 HB3 SER 5 2HB SER 5 -16.605 34.404 23.997 21 HG SER 5 HG SER 5 -14.271 33.467 24.496 22 H SER 6 H SER 6 -17.386 33.927 28.016 23 HA SER 6 HA SER 6 -14.805 33.816 29.397 24 HB2 SER 6 1HB SER 6 -17.368 34.926 30.550 25 HB3 SER 6 2HB SER 6 -16.006 34.419 31.547 26 HG SER 6 HG SER 6 -15.341 36.386 31.209 27 H GLY 7 H GLY 7 -14.773 32.248 31.175 28 HA2 GLY 7 1HA GLY 7 -15.107 30.115 31.952 29 HA3 GLY 7 2HA GLY 7 -16.821 30.463 31.778 30 H HIS 8 H HIS 8 -14.349 30.252 29.251 31 HA HIS 8 HA HIS 8 -15.076 27.646 28.389 32 HB2 HIS 8 1HB HIS 8 -16.451 29.987 27.161 33 HB3 HIS 8 2HB HIS 8 -15.937 28.685 26.092 34 HD1 HIS 8 1HD HIS 8 -16.650 26.202 27.550 35 HD2 HIS 8 2HD HIS 8 -19.070 29.577 27.647 36 HE1 HIS 8 1HE HIS 8 -18.945 25.367 28.150 37 H PHE 9 H PHE 9 -13.374 26.845 27.350 38 HA PHE 9 HA PHE 9 -11.470 28.737 26.144 39 HB2 PHE 9 1HB PHE 9 -10.726 27.298 28.109 40 HB3 PHE 9 2HB PHE 9 -10.854 25.917 27.024 41 HD1 PHE 9 1HD PHE 9 -9.416 25.843 24.976 42 HD2 PHE 9 2HD PHE 9 -8.852 28.711 28.070 43 HE1 PHE 9 1HE PHE 9 -7.137 26.277 24.154 44 HE2 PHE 9 2HE PHE 9 -6.573 29.150 27.253 45 HZ PHE 9 HZ PHE 9 -5.713 27.933 25.292 46 HA PRO 10 HA PRO 10 -13.247 26.443 22.565 47 HB2 PRO 10 1HB PRO 10 -13.176 28.577 20.889 48 HB3 PRO 10 2HB PRO 10 -14.516 28.273 22.000 49 HG2 PRO 10 1HG PRO 10 -12.195 30.139 22.299 50 HG3 PRO 10 2HG PRO 10 -13.906 30.412 22.679 51 HD2 PRO 10 1HD PRO 10 -12.070 29.813 24.577 52 HD3 PRO 10 2HD PRO 10 -13.766 29.301 24.693 53 H ALA 11 H ALA 11 -11.545 25.143 22.037 54 HA ALA 11 HA ALA 11 -9.283 26.418 20.639 55 HB1 ALA 11 1HB ALA 11 -8.494 25.477 22.702 56 HB2 ALA 11 2HB ALA 11 -9.278 23.937 22.350 57 HB3 ALA 11 3HB ALA 11 -7.917 24.478 21.368 58 H ARG 12 H ARG 12 -11.653 25.727 19.313 59 HA ARG 12 HA ARG 12 -10.990 23.246 17.891 60 HB2 ARG 12 1HB ARG 12 -13.255 23.283 18.674 61 HB3 ARG 12 2HB ARG 12 -13.518 24.890 18.010 62 HG2 ARG 12 1HG ARG 12 -14.595 23.481 16.512 63 HG3 ARG 12 2HG ARG 12 -13.048 23.815 15.733 64 HD2 ARG 12 1HD ARG 12 -12.284 21.653 16.983 65 HD3 ARG 12 2HD ARG 12 -14.013 21.315 17.050 66 HE ARG 12 HE ARG 12 -12.314 21.252 14.718 67 HH11 ARG 12 1HH1 ARG 12 -15.573 21.461 15.923 68 HH12 ARG 12 2HH1 ARG 12 -16.291 20.877 14.458 69 HH21 ARG 12 1HH2 ARG 12 -13.247 20.483 12.784 70 HH22 ARG 12 2HH2 ARG 12 -14.967 20.321 12.673 71 H VAL 13 H VAL 13 -9.737 23.524 16.170 72 HA VAL 13 HA VAL 13 -10.469 25.529 14.188 73 HB VAL 13 HB VAL 13 -8.762 26.597 15.682 74 HG11 VAL 13 1HG1 VAL 13 -7.095 24.318 14.653 75 HG12 VAL 13 2HG1 VAL 13 -6.383 25.809 15.272 76 HG13 VAL 13 3HG1 VAL 13 -7.378 24.802 16.324 77 HG21 VAL 13 1HG2 VAL 13 -8.325 26.153 12.760 78 HG22 VAL 13 2HG2 VAL 13 -8.878 27.599 13.604 79 HG23 VAL 13 3HG2 VAL 13 -7.181 27.129 13.681 80 H LYS 14 H LYS 14 -9.901 24.986 12.103 81 HA LYS 14 HA LYS 14 -9.036 22.222 11.736 82 HB2 LYS 14 1HB LYS 14 -10.534 24.208 10.090 83 HB3 LYS 14 2HB LYS 14 -9.650 22.939 9.254 84 HG2 LYS 14 1HG LYS 14 -10.898 21.239 10.427 85 HG3 LYS 14 2HG LYS 14 -11.723 22.469 11.387 86 HD2 LYS 14 1HD LYS 14 -11.865 22.492 8.392 87 HD3 LYS 14 2HD LYS 14 -12.945 21.473 9.346 88 HE2 LYS 14 1HE LYS 14 -13.998 23.293 10.329 89 HE3 LYS 14 2HE LYS 14 -12.655 24.382 9.983 90 HZ1 LYS 14 1HZ LYS 14 -13.243 24.425 7.694 91 HZ2 LYS 14 2HZ LYS 14 -14.653 24.733 8.577 92 HZ3 LYS 14 3HZ LYS 14 -14.400 23.207 7.892 93 H VAL 15 H VAL 15 -7.158 21.634 10.805 94 HA VAL 15 HA VAL 15 -5.268 23.774 10.144 95 HB VAL 15 HB VAL 15 -4.775 20.837 10.660 96 HG11 VAL 15 1HG1 VAL 15 -2.442 21.306 10.543 97 HG12 VAL 15 2HG1 VAL 15 -3.180 21.942 9.071 98 HG13 VAL 15 3HG1 VAL 15 -2.737 23.037 10.381 99 HG21 VAL 15 1HG2 VAL 15 -4.552 23.296 12.356 100 HG22 VAL 15 2HG2 VAL 15 -5.308 21.749 12.733 101 HG23 VAL 15 3HG2 VAL 15 -3.550 21.881 12.680 102 H GLU 16 H GLU 16 -4.864 24.244 8.094 103 HA GLU 16 HA GLU 16 -5.861 22.583 5.968 104 HB2 GLU 16 1HB GLU 16 -4.449 25.230 6.093 105 HB3 GLU 16 2HB GLU 16 -4.647 24.397 4.558 106 HG2 GLU 16 1HG GLU 16 -6.398 26.043 4.905 107 HG3 GLU 16 2HG GLU 16 -7.060 24.410 4.838 108 HA PRO 17 HA PRO 17 -2.233 20.222 5.187 109 HB2 PRO 17 1HB PRO 17 -2.628 19.658 2.561 110 HB3 PRO 17 2HB PRO 17 -3.560 18.899 3.857 111 HG2 PRO 17 1HG PRO 17 -4.301 21.196 2.086 112 HG3 PRO 17 2HG PRO 17 -5.288 19.814 2.598 113 HD2 PRO 17 1HD PRO 17 -5.489 22.255 3.752 114 HD3 PRO 17 2HD PRO 17 -5.756 20.749 4.652 115 H ALA 18 H ALA 18 -0.195 20.827 4.844 116 HA ALA 18 HA ALA 18 0.328 23.136 3.120 117 HB1 ALA 18 1HB ALA 18 2.226 21.799 5.040 118 HB2 ALA 18 2HB ALA 18 2.403 23.380 4.277 119 HB3 ALA 18 3HB ALA 18 1.141 23.119 5.482 120 H VAL 19 H VAL 19 -0.112 20.229 2.290 121 HA VAL 19 HA VAL 19 2.134 20.145 0.427 122 HB VAL 19 HB VAL 19 2.687 18.664 2.396 123 HG11 VAL 19 1HG1 VAL 19 0.055 17.679 1.807 124 HG12 VAL 19 2HG1 VAL 19 1.234 16.371 1.693 125 HG13 VAL 19 3HG1 VAL 19 1.104 17.316 3.177 126 HG21 VAL 19 1HG2 VAL 19 3.864 17.285 1.040 127 HG22 VAL 19 2HG2 VAL 19 2.453 16.846 0.076 128 HG23 VAL 19 3HG2 VAL 19 3.271 18.383 -0.207 129 H ASP 20 H ASP 20 1.731 18.857 -1.454 130 HA ASP 20 HA ASP 20 -1.074 18.832 -2.177 131 HB2 ASP 20 1HB ASP 20 1.396 18.173 -3.797 132 HB3 ASP 20 2HB ASP 20 -0.240 18.284 -4.442 133 H THR 21 H THR 21 1.568 16.453 -2.498 134 HA THR 21 HA THR 21 1.482 14.167 -2.710 135 HB THR 21 HB THR 21 0.277 13.067 -0.768 136 HG1 THR 21 1HG THR 21 -0.204 14.863 0.877 137 HG21 THR 21 1HG2 THR 21 1.779 14.609 0.898 138 HG22 THR 21 2HG2 THR 21 2.501 14.984 -0.666 139 HG23 THR 21 3HG2 THR 21 2.418 13.313 -0.112 140 H SER 22 H SER 22 -0.324 15.364 -4.473 141 HA SER 22 HA SER 22 -2.655 13.569 -4.347 142 HB2 SER 22 1HB SER 22 -3.390 15.320 -6.244 143 HB3 SER 22 2HB SER 22 -3.674 15.610 -4.528 144 HG SER 22 HG SER 22 -1.764 16.841 -4.485 145 H ARG 23 H ARG 23 0.256 14.167 -5.949 146 HA ARG 23 HA ARG 23 -0.605 12.549 -8.257 147 HB2 ARG 23 1HB ARG 23 1.669 14.538 -8.117 148 HB3 ARG 23 2HB ARG 23 1.217 13.590 -9.527 149 HG2 ARG 23 1HG ARG 23 -0.703 14.820 -9.904 150 HG3 ARG 23 2HG ARG 23 -0.775 15.405 -8.241 151 HD2 ARG 23 1HD ARG 23 -0.074 17.261 -9.479 152 HD3 ARG 23 2HD ARG 23 1.408 16.625 -8.768 153 HE ARG 23 HE ARG 23 0.987 15.513 -11.335 154 HH11 ARG 23 1HH1 ARG 23 1.962 18.453 -9.746 155 HH12 ARG 23 2HH1 ARG 23 2.942 18.996 -11.068 156 HH21 ARG 23 1HH2 ARG 23 2.273 16.217 -13.082 157 HH22 ARG 23 2HH2 ARG 23 3.117 17.724 -12.965 158 H ILE 24 H ILE 24 0.241 11.523 -5.689 159 HA ILE 24 HA ILE 24 2.948 10.566 -6.031 160 HB ILE 24 HB ILE 24 0.843 10.007 -3.948 161 HG12 ILE 24 1HG1 ILE 24 3.468 11.506 -3.924 162 HG13 ILE 24 2HG1 ILE 24 1.856 12.192 -3.753 163 HG21 ILE 24 1HG2 ILE 24 1.903 8.144 -3.378 164 HG22 ILE 24 2HG2 ILE 24 3.082 8.390 -4.665 165 HG23 ILE 24 3HG2 ILE 24 3.360 9.090 -3.070 166 HD11 ILE 24 1HD1 ILE 24 2.302 10.183 -1.753 167 HD12 ILE 24 2HD1 ILE 24 3.588 11.391 -1.723 168 HD13 ILE 24 3HD1 ILE 24 1.904 11.891 -1.564 169 H LYS 25 H LYS 25 3.557 8.692 -6.911 170 HA LYS 25 HA LYS 25 1.468 6.707 -7.532 171 HB2 LYS 25 1HB LYS 25 3.684 7.811 -9.202 172 HB3 LYS 25 2HB LYS 25 3.207 6.135 -9.443 173 HG2 LYS 25 1HG LYS 25 0.841 6.995 -9.720 174 HG3 LYS 25 2HG LYS 25 1.548 8.610 -9.810 175 HD2 LYS 25 1HD LYS 25 1.519 8.089 -12.033 176 HD3 LYS 25 2HD LYS 25 3.099 7.428 -11.604 177 HE2 LYS 25 1HE LYS 25 2.012 5.765 -12.886 178 HE3 LYS 25 2HE LYS 25 1.932 5.225 -11.210 179 HZ1 LYS 25 1HZ LYS 25 -0.207 4.882 -11.910 180 HZ2 LYS 25 2HZ LYS 25 -0.220 6.220 -12.943 181 HZ3 LYS 25 3HZ LYS 25 -0.347 6.442 -11.271 182 H VAL 26 H VAL 26 1.782 4.727 -6.747 183 HA VAL 26 HA VAL 26 4.482 4.022 -5.795 184 HB VAL 26 HB VAL 26 3.366 2.551 -4.133 185 HG11 VAL 26 1HG1 VAL 26 3.357 4.207 -2.610 186 HG12 VAL 26 2HG1 VAL 26 3.895 5.201 -3.965 187 HG13 VAL 26 3HG1 VAL 26 2.190 5.173 -3.513 188 HG21 VAL 26 1HG2 VAL 26 1.253 2.134 -5.118 189 HG22 VAL 26 2HG2 VAL 26 0.939 3.074 -3.659 190 HG23 VAL 26 3HG2 VAL 26 0.889 3.855 -5.239 191 H PHE 27 H PHE 27 5.405 2.369 -6.798 192 HA PHE 27 HA PHE 27 3.679 0.344 -8.062 193 HB2 PHE 27 1HB PHE 27 5.676 0.130 -9.713 194 HB3 PHE 27 2HB PHE 27 4.539 1.458 -9.919 195 HD1 PHE 27 1HD PHE 27 5.183 3.739 -9.426 196 HD2 PHE 27 2HD PHE 27 7.934 0.524 -8.962 197 HE1 PHE 27 1HE PHE 27 7.039 5.349 -9.307 198 HE2 PHE 27 2HE PHE 27 9.794 2.129 -8.842 199 HZ PHE 27 HZ PHE 27 9.349 4.545 -9.014 200 H GLY 28 H GLY 28 4.274 -1.781 -7.850 201 HA2 GLY 28 1HA GLY 28 6.485 -3.116 -7.399 202 HA3 GLY 28 2HA GLY 28 6.351 -2.299 -5.848 203 HA PRO 29 HA PRO 29 3.852 -6.344 -6.046 204 HB2 PRO 29 1HB PRO 29 5.496 -7.892 -4.540 205 HB3 PRO 29 2HB PRO 29 5.621 -7.787 -6.300 206 HG2 PRO 29 1HG PRO 29 7.233 -6.389 -4.201 207 HG3 PRO 29 2HG PRO 29 7.778 -7.157 -5.703 208 HD2 PRO 29 1HD PRO 29 7.456 -4.479 -5.471 209 HD3 PRO 29 2HD PRO 29 7.180 -5.346 -6.996 210 H GLY 30 H GLY 30 5.738 -4.801 -3.480 211 HA2 GLY 30 1HA GLY 30 4.330 -5.804 -1.273 212 HA3 GLY 30 2HA GLY 30 5.217 -4.287 -1.305 213 H ILE 31 H ILE 31 3.448 -3.390 -3.590 214 HA ILE 31 HA ILE 31 1.160 -2.600 -1.913 215 HB ILE 31 HB ILE 31 2.727 -0.792 -2.738 216 HG12 ILE 31 1HG1 ILE 31 0.814 0.690 -3.494 217 HG13 ILE 31 2HG1 ILE 31 -0.208 -0.742 -3.452 218 HG21 ILE 31 1HG2 ILE 31 1.407 -1.348 -5.390 219 HG22 ILE 31 2HG2 ILE 31 2.587 -0.088 -5.033 220 HG23 ILE 31 3HG2 ILE 31 3.067 -1.784 -4.986 221 HD11 ILE 31 1HD1 ILE 31 -0.207 -0.841 -1.173 222 HD12 ILE 31 2HD1 ILE 31 1.358 -0.039 -1.028 223 HD13 ILE 31 3HD1 ILE 31 -0.082 0.901 -1.419 224 H GLU 32 H GLU 32 2.116 -4.115 -4.869 225 HA GLU 32 HA GLU 32 -0.528 -3.986 -6.047 226 HB2 GLU 32 1HB GLU 32 2.019 -5.369 -6.895 227 HB3 GLU 32 2HB GLU 32 0.514 -5.471 -7.798 228 HG2 GLU 32 1HG GLU 32 1.609 -2.788 -7.127 229 HG3 GLU 32 2HG GLU 32 2.351 -3.719 -8.426 230 H GLY 33 H GLY 33 1.614 -6.512 -4.740 231 HA2 GLY 33 1HA GLY 33 0.685 -8.200 -3.270 232 HA3 GLY 33 2HA GLY 33 -0.799 -8.123 -4.208 233 H LYS 34 H LYS 34 2.583 -8.409 -5.258 234 HA LYS 34 HA LYS 34 1.811 -10.745 -6.848 235 HB2 LYS 34 1HB LYS 34 4.443 -9.287 -6.985 236 HB3 LYS 34 2HB LYS 34 3.714 -10.330 -8.199 237 HG2 LYS 34 1HG LYS 34 2.645 -7.643 -7.361 238 HG3 LYS 34 2HG LYS 34 3.615 -7.952 -8.803 239 HD2 LYS 34 1HD LYS 34 1.146 -9.562 -8.380 240 HD3 LYS 34 2HD LYS 34 0.976 -7.885 -8.902 241 HE2 LYS 34 1HE LYS 34 1.964 -8.274 -10.933 242 HE3 LYS 34 2HE LYS 34 2.929 -9.620 -10.327 243 HZ1 LYS 34 1HZ LYS 34 0.020 -9.937 -10.414 244 HZ2 LYS 34 2HZ LYS 34 1.237 -11.091 -10.628 245 HZ3 LYS 34 3HZ LYS 34 0.868 -10.011 -11.876 246 H ASP 35 H ASP 35 4.828 -9.809 -5.200 247 HA ASP 35 HA ASP 35 5.136 -12.601 -4.349 248 HB2 ASP 35 1HB ASP 35 7.247 -10.447 -4.248 249 HB3 ASP 35 2HB ASP 35 7.476 -12.192 -4.168 250 H VAL 36 H VAL 36 3.347 -10.736 -3.012 251 HA VAL 36 HA VAL 36 4.678 -10.082 -0.511 252 HB VAL 36 HB VAL 36 1.746 -9.775 -1.148 253 HG11 VAL 36 1HG1 VAL 36 2.196 -7.813 0.527 254 HG12 VAL 36 2HG1 VAL 36 1.931 -9.454 1.120 255 HG13 VAL 36 3HG1 VAL 36 3.569 -8.810 1.005 256 HG21 VAL 36 1HG2 VAL 36 3.136 -8.633 -2.840 257 HG22 VAL 36 2HG2 VAL 36 2.213 -7.507 -1.846 258 HG23 VAL 36 3HG2 VAL 36 3.935 -7.738 -1.548 259 H PHE 37 H PHE 37 4.115 -12.902 -1.506 260 HA PHE 37 HA PHE 37 2.140 -14.202 -0.123 261 HB2 PHE 37 1HB PHE 37 4.910 -15.364 -0.294 262 HB3 PHE 37 2HB PHE 37 3.361 -16.193 -0.415 263 HD1 PHE 37 1HD PHE 37 1.863 -14.940 -2.411 264 HD2 PHE 37 2HD PHE 37 6.088 -15.435 -2.250 265 HE1 PHE 37 1HE PHE 37 1.972 -14.784 -4.864 266 HE2 PHE 37 2HE PHE 37 6.203 -15.279 -4.702 267 HZ PHE 37 HZ PHE 37 4.143 -14.953 -6.013 268 H ARG 38 H ARG 38 2.114 -15.393 1.869 269 HA ARG 38 HA ARG 38 2.803 -13.913 4.111 270 HB2 ARG 38 1HB ARG 38 1.175 -15.935 3.815 271 HB3 ARG 38 2HB ARG 38 2.576 -16.899 4.263 272 HG2 ARG 38 1HG ARG 38 2.763 -15.623 6.355 273 HG3 ARG 38 2HG ARG 38 1.318 -14.714 5.908 274 HD2 ARG 38 1HD ARG 38 -0.040 -16.663 6.017 275 HD3 ARG 38 2HD ARG 38 1.369 -17.713 6.148 276 HE ARG 38 HE ARG 38 1.089 -15.790 8.283 277 HH11 ARG 38 1HH1 ARG 38 0.339 -18.995 7.150 278 HH12 ARG 38 2HH1 ARG 38 0.077 -19.636 8.738 279 HH21 ARG 38 1HH2 ARG 38 0.746 -16.622 10.379 280 HH22 ARG 38 2HH2 ARG 38 0.307 -18.285 10.574 281 H GLU 39 H GLU 39 4.524 -13.830 5.463 282 HA GLU 39 HA GLU 39 6.668 -14.038 6.195 283 HB2 GLU 39 1HB GLU 39 6.089 -16.835 5.262 284 HB3 GLU 39 2HB GLU 39 7.679 -16.404 5.877 285 HG2 GLU 39 1HG GLU 39 6.754 -15.788 8.002 286 HG3 GLU 39 2HG GLU 39 5.114 -16.019 7.400 287 H ALA 40 H ALA 40 6.259 -12.934 3.621 288 HA ALA 40 HA ALA 40 8.765 -13.734 2.289 289 HB1 ALA 40 1HB ALA 40 6.662 -14.321 1.033 290 HB2 ALA 40 2HB ALA 40 6.374 -12.588 0.866 291 HB3 ALA 40 3HB ALA 40 7.817 -13.314 0.158 292 H THR 41 H THR 41 10.073 -12.098 1.474 293 HA THR 41 HA THR 41 9.739 -9.528 2.772 294 HB THR 41 HB THR 41 11.986 -10.520 1.007 295 HG1 THR 41 1HG THR 41 11.409 -11.393 3.322 296 HG21 THR 41 1HG2 THR 41 12.781 -8.441 1.068 297 HG22 THR 41 2HG2 THR 41 12.803 -8.507 2.831 298 HG23 THR 41 3HG2 THR 41 11.371 -7.917 1.988 299 H THR 42 H THR 42 8.198 -8.342 1.746 300 HA THR 42 HA THR 42 8.632 -7.795 -1.119 301 HB THR 42 HB THR 42 6.511 -8.984 -0.722 302 HG1 THR 42 1HG THR 42 6.490 -6.301 -1.616 303 HG21 THR 42 1HG2 THR 42 6.234 -6.919 1.348 304 HG22 THR 42 2HG2 THR 42 5.525 -8.530 1.252 305 HG23 THR 42 3HG2 THR 42 4.785 -7.187 0.381 306 H ASP 43 H ASP 43 8.474 -5.673 -1.832 307 HA ASP 43 HA ASP 43 7.897 -3.559 0.073 308 HB2 ASP 43 1HB ASP 43 10.034 -2.412 -0.273 309 HB3 ASP 43 2HB ASP 43 10.286 -4.000 0.445 310 H PHE 44 H PHE 44 7.621 -1.487 -0.917 311 HA PHE 44 HA PHE 44 7.227 -1.634 -3.834 312 HB2 PHE 44 1HB PHE 44 5.367 0.011 -3.498 313 HB3 PHE 44 2HB PHE 44 5.068 -1.567 -2.776 314 HD1 PHE 44 2HD PHE 44 5.160 -1.855 -0.343 315 HD2 PHE 44 1HD PHE 44 5.593 1.970 -2.159 316 HE1 PHE 44 2HE PHE 44 4.723 -0.780 1.826 317 HE2 PHE 44 1HE PHE 44 5.158 3.051 0.008 318 HZ PHE 44 HZ PHE 44 4.721 1.676 2.004 319 H THR 45 H THR 45 6.980 0.720 -4.735 320 HA THR 45 HA THR 45 9.090 2.399 -3.547 321 HB THR 45 HB THR 45 8.626 2.066 -6.514 322 HG1 THR 45 1HG THR 45 10.461 0.757 -6.483 323 HG21 THR 45 1HG2 THR 45 9.761 4.011 -6.518 324 HG22 THR 45 2HG2 THR 45 11.163 3.003 -6.163 325 HG23 THR 45 3HG2 THR 45 10.303 3.810 -4.853 326 H VAL 46 H VAL 46 8.556 4.464 -3.213 327 HA VAL 46 HA VAL 46 6.037 5.440 -4.384 328 HB VAL 46 HB VAL 46 7.444 6.351 -1.870 329 HG11 VAL 46 1HG1 VAL 46 5.889 8.003 -1.604 330 HG12 VAL 46 2HG1 VAL 46 5.992 7.979 -3.366 331 HG13 VAL 46 3HG1 VAL 46 4.664 7.156 -2.547 332 HG21 VAL 46 1HG2 VAL 46 6.251 4.849 -0.743 333 HG22 VAL 46 2HG2 VAL 46 4.760 5.344 -1.544 334 HG23 VAL 46 3HG2 VAL 46 5.803 4.135 -2.292 335 H ASP 47 H ASP 47 6.450 6.637 -6.130 336 HA ASP 47 HA ASP 47 8.836 8.311 -6.229 337 HB2 ASP 47 1HB ASP 47 7.817 6.788 -8.145 338 HB3 ASP 47 2HB ASP 47 6.851 8.228 -8.457 339 H SER 48 H SER 48 8.782 10.371 -5.653 340 HA SER 48 HA SER 48 6.290 11.886 -6.014 341 HB2 SER 48 1HB SER 48 8.038 12.275 -3.591 342 HB3 SER 48 2HB SER 48 6.385 12.832 -3.852 343 HG SER 48 HG SER 48 7.216 10.546 -2.758 344 H ARG 49 H ARG 49 6.563 13.776 -7.012 345 HA ARG 49 HA ARG 49 9.298 14.685 -7.518 346 HB2 ARG 49 1HB ARG 49 6.713 14.896 -8.939 347 HB3 ARG 49 2HB ARG 49 7.765 16.301 -9.054 348 HG2 ARG 49 1HG ARG 49 8.564 13.485 -9.761 349 HG3 ARG 49 2HG ARG 49 8.063 14.723 -10.915 350 HD2 ARG 49 1HD ARG 49 10.226 15.474 -9.051 351 HD3 ARG 49 2HD ARG 49 10.627 14.246 -10.252 352 HE ARG 49 HE ARG 49 9.325 16.582 -11.327 353 HH11 ARG 49 1HH1 ARG 49 12.360 15.102 -10.482 354 HH12 ARG 49 2HH1 ARG 49 13.289 16.079 -11.570 355 HH21 ARG 49 1HH2 ARG 49 10.537 17.875 -12.763 356 HH22 ARG 49 2HH2 ARG 49 12.251 17.657 -12.866 357 HA PRO 50 HA PRO 50 7.325 18.804 -6.046 358 HB2 PRO 50 1HB PRO 50 4.686 18.821 -5.410 359 HB3 PRO 50 2HB PRO 50 5.281 19.112 -7.049 360 HG2 PRO 50 1HG PRO 50 4.170 16.601 -5.854 361 HG3 PRO 50 2HG PRO 50 3.858 17.316 -7.446 362 HD2 PRO 50 1HD PRO 50 5.571 15.250 -7.088 363 HD3 PRO 50 2HD PRO 50 5.810 16.482 -8.344 364 H LEU 51 H LEU 51 7.355 15.903 -4.587 365 HA LEU 51 HA LEU 51 6.725 16.991 -1.924 366 HB2 LEU 51 1HB LEU 51 7.046 14.073 -2.501 367 HB3 LEU 51 2HB LEU 51 6.170 14.856 -1.187 368 HG LEU 51 HG LEU 51 5.320 14.524 -4.053 369 HD11 LEU 51 1HD1 LEU 51 3.349 13.496 -2.985 370 HD12 LEU 51 2HD1 LEU 51 4.115 13.711 -1.412 371 HD13 LEU 51 3HD1 LEU 51 4.848 12.647 -2.612 372 HD21 LEU 51 1HD2 LEU 51 3.700 16.034 -2.046 373 HD22 LEU 51 2HD2 LEU 51 3.603 16.049 -3.807 374 HD23 LEU 51 3HD2 LEU 51 4.936 16.866 -2.990 375 H THR 52 H THR 52 9.120 15.326 -3.866 376 HA THR 52 HA THR 52 11.233 16.207 -2.140 377 HB THR 52 HB THR 52 10.491 14.188 -0.919 378 HG1 THR 52 1HG THR 52 12.650 13.117 -1.093 379 HG21 THR 52 1HG2 THR 52 11.495 12.492 -3.169 380 HG22 THR 52 2HG2 THR 52 9.823 13.052 -3.177 381 HG23 THR 52 3HG2 THR 52 10.417 12.068 -1.840 382 H GLN 53 H GLN 53 13.306 15.949 -3.067 383 HA GLN 53 HA GLN 53 13.302 14.991 -5.851 384 HB2 GLN 53 1HB GLN 53 14.841 17.379 -4.824 385 HB3 GLN 53 2HB GLN 53 14.746 16.821 -6.489 386 HG2 GLN 53 1HG GLN 53 13.248 18.527 -6.560 387 HG3 GLN 53 2HG GLN 53 12.173 17.201 -6.124 388 HE21 GLN 53 1HE2 GLN 53 10.748 17.805 -4.675 389 HE22 GLN 53 2HE2 GLN 53 11.029 18.868 -3.343 390 H VAL 54 H VAL 54 14.905 15.176 -2.796 391 HA VAL 54 HA VAL 54 16.981 13.356 -3.812 392 HB VAL 54 HB VAL 54 18.656 14.381 -2.386 393 HG11 VAL 54 1HG1 VAL 54 19.065 15.524 -4.256 394 HG12 VAL 54 2HG1 VAL 54 17.346 15.767 -4.574 395 HG13 VAL 54 3HG1 VAL 54 18.210 16.870 -3.502 396 HG21 VAL 54 1HG2 VAL 54 16.470 15.434 -1.019 397 HG22 VAL 54 2HG2 VAL 54 18.176 15.737 -0.687 398 HG23 VAL 54 3HG2 VAL 54 17.274 16.831 -1.736 399 H GLY 55 H GLY 55 14.565 12.597 -2.577 400 HA2 GLY 55 1HA GLY 55 13.881 11.076 -0.993 401 HA3 GLY 55 2HA GLY 55 15.564 10.919 -0.511 402 H GLY 56 H GLY 56 13.220 10.980 1.193 403 HA2 GLY 56 1HA GLY 56 14.108 13.122 2.967 404 HA3 GLY 56 2HA GLY 56 12.420 13.152 2.479 405 H ASP 57 H ASP 57 12.584 13.038 5.029 406 HA ASP 57 HA ASP 57 12.203 10.204 5.735 407 HB2 ASP 57 1HB ASP 57 12.905 11.033 8.106 408 HB3 ASP 57 2HB ASP 57 14.150 10.689 6.909 409 H HIS 58 H HIS 58 10.129 11.764 4.802 410 HA HIS 58 HA HIS 58 8.569 12.273 7.250 411 HB2 HIS 58 1HB HIS 58 8.725 13.761 4.670 412 HB3 HIS 58 2HB HIS 58 7.170 13.697 5.494 413 HD1 HIS 58 1HD HIS 58 6.805 15.459 7.193 414 HD2 HIS 58 2HD HIS 58 10.845 14.816 6.472 415 HE1 HIS 58 1HE HIS 58 8.015 17.194 8.553 416 H ILE 59 H ILE 59 8.924 9.764 5.761 417 HA ILE 59 HA ILE 59 6.168 9.351 4.807 418 HB ILE 59 HB ILE 59 8.656 7.757 4.182 419 HG12 ILE 59 1HG1 ILE 59 8.539 9.915 3.014 420 HG13 ILE 59 2HG1 ILE 59 8.323 8.575 1.893 421 HG21 ILE 59 1HG2 ILE 59 5.776 7.218 3.775 422 HG22 ILE 59 2HG2 ILE 59 6.858 6.834 2.438 423 HG23 ILE 59 3HG2 ILE 59 7.117 6.099 4.020 424 HD11 ILE 59 1HD1 ILE 59 5.761 9.328 2.797 425 HD12 ILE 59 2HD1 ILE 59 6.627 10.802 2.365 426 HD13 ILE 59 3HD1 ILE 59 6.452 9.504 1.185 427 H LYS 60 H LYS 60 4.997 7.565 5.525 428 HA LYS 60 HA LYS 60 6.086 5.672 7.373 429 HB2 LYS 60 1HB LYS 60 5.801 7.700 8.809 430 HB3 LYS 60 2HB LYS 60 4.078 7.653 8.460 431 HG2 LYS 60 1HG LYS 60 4.083 6.545 10.438 432 HG3 LYS 60 2HG LYS 60 4.335 5.176 9.353 433 HD2 LYS 60 1HD LYS 60 6.729 6.630 10.350 434 HD3 LYS 60 2HD LYS 60 5.868 5.580 11.477 435 HE2 LYS 60 1HE LYS 60 6.011 3.806 9.636 436 HE3 LYS 60 2HE LYS 60 7.210 4.860 8.888 437 HZ1 LYS 60 1HZ LYS 60 7.573 3.027 10.972 438 HZ2 LYS 60 2HZ LYS 60 7.863 4.573 11.592 439 HZ3 LYS 60 3HZ LYS 60 8.727 4.027 10.244 440 H ALA 61 H ALA 61 4.914 3.844 7.335 441 HA ALA 61 HA ALA 61 2.160 3.990 6.298 442 HB1 ALA 61 1HB ALA 61 4.101 1.780 5.654 443 HB2 ALA 61 2HB ALA 61 2.501 2.049 4.962 444 HB3 ALA 61 3HB ALA 61 3.816 3.169 4.605 445 H HIS 62 H HIS 62 0.848 2.054 6.833 446 HA HIS 62 HA HIS 62 1.730 0.529 9.148 447 HB2 HIS 62 1HB HIS 62 0.551 2.775 9.815 448 HB3 HIS 62 2HB HIS 62 -0.919 1.912 9.373 449 HD1 HIS 62 1HD HIS 62 1.781 2.015 11.947 450 HD2 HIS 62 2HD HIS 62 -1.662 -0.157 11.117 451 HE1 HIS 62 1HE HIS 62 1.297 0.698 14.034 452 H ILE 63 H ILE 63 1.363 -1.483 8.488 453 HA ILE 63 HA ILE 63 -0.810 -2.104 6.684 454 HB ILE 63 HB ILE 63 1.186 -3.953 7.998 455 HG12 ILE 63 1HG1 ILE 63 1.277 -3.204 5.109 456 HG13 ILE 63 2HG1 ILE 63 1.885 -2.047 6.288 457 HG21 ILE 63 1HG2 ILE 63 0.059 -5.648 7.115 458 HG22 ILE 63 2HG2 ILE 63 -1.197 -4.518 6.609 459 HG23 ILE 63 3HG2 ILE 63 0.133 -4.905 5.517 460 HD11 ILE 63 1HD1 ILE 63 2.901 -4.780 5.636 461 HD12 ILE 63 2HD1 ILE 63 3.766 -3.243 5.666 462 HD13 ILE 63 3HD1 ILE 63 3.280 -4.011 7.177 463 H ALA 64 H ALA 64 -2.616 -3.306 7.129 464 HA ALA 64 HA ALA 64 -3.064 -4.052 9.943 465 HB1 ALA 64 1HB ALA 64 -4.759 -2.389 8.146 466 HB2 ALA 64 2HB ALA 64 -5.544 -3.436 9.329 467 HB3 ALA 64 3HB ALA 64 -4.407 -2.198 9.864 468 H ASN 65 H ASN 65 -3.074 -6.213 9.923 469 HA ASN 65 HA ASN 65 -3.779 -7.812 7.711 470 HB2 ASN 65 1HB ASN 65 -3.388 -8.382 10.640 471 HB3 ASN 65 2HB ASN 65 -3.915 -9.645 9.531 472 HD21 ASN 65 1HD2 ASN 65 -1.525 -9.710 10.990 473 HD22 ASN 65 2HD2 ASN 65 -0.207 -9.658 9.874 474 HA PRO 66 HA PRO 66 -8.153 -8.121 7.894 475 HB2 PRO 66 1HB PRO 66 -8.549 -10.710 7.177 476 HB3 PRO 66 2HB PRO 66 -8.024 -9.466 6.036 477 HG2 PRO 66 1HG PRO 66 -6.396 -11.524 7.477 478 HG3 PRO 66 2HG PRO 66 -6.297 -11.003 5.785 479 HD2 PRO 66 1HD PRO 66 -4.581 -10.120 7.684 480 HD3 PRO 66 2HD PRO 66 -5.078 -9.118 6.306 481 H SER 67 H SER 67 -6.185 -9.747 10.073 482 HA SER 67 HA SER 67 -8.447 -10.939 11.513 483 HB2 SER 67 1HB SER 67 -5.472 -11.372 11.627 484 HB3 SER 67 2HB SER 67 -6.513 -11.894 12.952 485 HG SER 67 HG SER 67 -7.493 -13.326 11.637 486 H GLY 68 H GLY 68 -6.048 -8.425 11.681 487 HA2 GLY 68 1HA GLY 68 -7.026 -6.557 13.163 488 HA3 GLY 68 2HA GLY 68 -6.885 -7.770 14.427 489 H ALA 69 H ALA 69 -4.386 -8.848 13.305 490 HA ALA 69 HA ALA 69 -2.565 -7.255 14.758 491 HB1 ALA 69 1HB ALA 69 -1.203 -9.009 14.537 492 HB2 ALA 69 2HB ALA 69 -2.560 -9.809 13.742 493 HB3 ALA 69 3HB ALA 69 -1.328 -8.995 12.778 494 H SER 70 H SER 70 -0.368 -6.669 13.607 495 HA SER 70 HA SER 70 -0.856 -5.354 11.039 496 HB2 SER 70 1HB SER 70 0.339 -3.883 13.398 497 HB3 SER 70 2HB SER 70 -0.021 -3.221 11.803 498 HG SER 70 HG SER 70 -2.169 -3.339 12.232 499 H THR 71 H THR 71 0.906 -5.244 9.729 500 HA THR 71 HA THR 71 3.282 -6.674 10.641 501 HB THR 71 HB THR 71 2.576 -5.754 7.848 502 HG1 THR 71 1HG THR 71 1.107 -7.325 8.574 503 HG21 THR 71 1HG2 THR 71 4.719 -6.254 7.437 504 HG22 THR 71 2HG2 THR 71 4.262 -7.938 7.695 505 HG23 THR 71 3HG2 THR 71 4.933 -6.992 9.024 506 H GLU 72 H GLU 72 5.044 -5.629 11.272 507 HA GLU 72 HA GLU 72 5.322 -2.869 11.351 508 HB2 GLU 72 1HB GLU 72 6.629 -4.672 12.628 509 HB3 GLU 72 2HB GLU 72 7.676 -4.740 11.218 510 HG2 GLU 72 1HG GLU 72 8.514 -2.622 11.568 511 HG3 GLU 72 2HG GLU 72 7.127 -2.120 12.533 512 H CYS 73 H CYS 73 5.951 -1.358 9.943 513 HA CYS 73 HA CYS 73 6.819 -2.245 7.285 514 HB2 CYS 73 1HB CYS 73 5.679 0.406 8.195 515 HB3 CYS 73 2HB CYS 73 6.150 0.025 6.543 516 HG CYS 73 HG CYS 73 4.021 -2.220 7.736 517 H PHE 74 H PHE 74 8.680 -1.510 6.337 518 HA PHE 74 HA PHE 74 10.445 0.146 8.017 519 HB2 PHE 74 1HB PHE 74 11.274 -2.171 6.256 520 HB3 PHE 74 2HB PHE 74 12.353 -1.166 7.217 521 HD1 PHE 74 1HD PHE 74 9.411 -3.419 7.556 522 HD2 PHE 74 2HD PHE 74 12.923 -1.823 9.356 523 HE1 PHE 74 1HE PHE 74 9.121 -4.943 9.465 524 HE2 PHE 74 2HE PHE 74 12.639 -3.346 11.267 525 HZ PHE 74 HZ PHE 74 10.737 -4.909 11.324 526 H VAL 75 H VAL 75 10.254 2.075 6.996 527 HA VAL 75 HA VAL 75 10.266 2.273 4.117 528 HB VAL 75 HB VAL 75 10.096 4.671 4.441 529 HG11 VAL 75 1HG1 VAL 75 8.225 2.804 5.225 530 HG12 VAL 75 2HG1 VAL 75 8.253 3.947 6.569 531 HG13 VAL 75 3HG1 VAL 75 7.925 4.517 4.932 532 HG21 VAL 75 1HG2 VAL 75 9.973 5.543 6.815 533 HG22 VAL 75 2HG2 VAL 75 10.703 4.017 7.315 534 HG23 VAL 75 3HG2 VAL 75 11.577 5.101 6.232 535 H THR 76 H THR 76 11.940 2.765 2.822 536 HA THR 76 HA THR 76 14.481 3.576 4.061 537 HB THR 76 HB THR 76 14.189 1.462 1.917 538 HG1 THR 76 1HG THR 76 15.285 1.135 4.513 539 HG21 THR 76 1HG2 THR 76 16.194 2.696 1.504 540 HG22 THR 76 2HG2 THR 76 16.659 1.190 2.295 541 HG23 THR 76 3HG2 THR 76 16.616 2.694 3.216 542 H ASP 77 H ASP 77 14.826 5.563 3.302 543 HA ASP 77 HA ASP 77 13.917 6.368 0.684 544 HB2 ASP 77 1HB ASP 77 13.741 8.008 2.416 545 HB3 ASP 77 2HB ASP 77 15.432 7.805 2.865 546 H ASN 78 H ASN 78 15.055 6.332 -1.140 547 HA ASN 78 HA ASN 78 17.768 5.346 -1.106 548 HB2 ASN 78 1HB ASN 78 15.944 6.136 -3.387 549 HB3 ASN 78 2HB ASN 78 17.547 5.436 -3.593 550 HD21 ASN 78 1HD2 ASN 78 14.264 4.860 -2.658 551 HD22 ASN 78 2HD2 ASN 78 14.362 3.136 -2.611 552 H ALA 79 H ALA 79 16.841 8.186 -0.254 553 HA ALA 79 HA ALA 79 17.539 10.360 -0.470 554 HB1 ALA 79 1HB ALA 79 19.409 9.528 0.710 555 HB2 ALA 79 2HB ALA 79 20.082 8.776 -0.737 556 HB3 ALA 79 3HB ALA 79 20.058 10.533 -0.586 557 H ASP 80 H ASP 80 16.526 9.266 -2.917 558 HA ASP 80 HA ASP 80 18.086 10.860 -4.840 559 HB2 ASP 80 1HB ASP 80 18.326 8.402 -5.235 560 HB3 ASP 80 2HB ASP 80 16.586 8.317 -5.493 561 H GLY 81 H GLY 81 14.964 9.810 -3.677 562 HA2 GLY 81 1HA GLY 81 13.470 11.971 -3.982 563 HA3 GLY 81 2HA GLY 81 13.564 11.441 -5.655 564 H THR 82 H THR 82 13.672 8.586 -4.533 565 HA THR 82 HA THR 82 10.760 8.324 -4.169 566 HB THR 82 HB THR 82 10.872 6.149 -5.183 567 HG1 THR 82 1HG THR 82 12.812 5.322 -4.539 568 HG21 THR 82 1HG2 THR 82 10.749 8.032 -6.734 569 HG22 THR 82 2HG2 THR 82 11.677 6.707 -7.436 570 HG23 THR 82 3HG2 THR 82 12.509 8.119 -6.785 571 H TYR 83 H TYR 83 10.040 6.474 -2.862 572 HA TYR 83 HA TYR 83 11.925 5.912 -0.667 573 HB2 TYR 83 1HB TYR 83 8.913 6.043 -0.453 574 HB3 TYR 83 2HB TYR 83 10.067 5.890 0.867 575 HD1 TYR 83 1HD TYR 83 8.573 8.180 -1.573 576 HD2 TYR 83 2HD TYR 83 11.319 7.810 1.657 577 HE1 TYR 83 1HE TYR 83 8.637 10.629 -1.354 578 HE2 TYR 83 2HE TYR 83 11.389 10.258 1.885 579 HH TYR 83 HH TYR 83 9.539 12.228 1.168 580 H GLN 84 H GLN 84 12.027 3.842 0.158 581 HA GLN 84 HA GLN 84 10.506 1.786 -1.303 582 HB2 GLN 84 1HB GLN 84 12.977 1.997 -1.911 583 HB3 GLN 84 2HB GLN 84 13.319 1.400 -0.292 584 HG2 GLN 84 1HG GLN 84 13.392 -0.548 -1.461 585 HG3 GLN 84 2HG GLN 84 11.689 -0.528 -1.010 586 HE21 GLN 84 1HE2 GLN 84 10.760 -1.557 -2.666 587 HE22 GLN 84 2HE2 GLN 84 10.868 -1.070 -4.320 588 H VAL 85 H VAL 85 9.044 1.094 0.134 589 HA VAL 85 HA VAL 85 9.870 0.661 2.916 590 HB VAL 85 HB VAL 85 7.092 0.662 1.725 591 HG11 VAL 85 1HG1 VAL 85 6.357 -0.168 3.649 592 HG12 VAL 85 2HG1 VAL 85 8.032 -0.408 4.150 593 HG13 VAL 85 3HG1 VAL 85 7.195 1.091 4.555 594 HG21 VAL 85 1HG2 VAL 85 8.815 2.782 2.844 595 HG22 VAL 85 2HG2 VAL 85 7.510 2.885 1.661 596 HG23 VAL 85 3HG2 VAL 85 7.135 2.778 3.381 597 H GLU 86 H GLU 86 10.246 -1.321 3.651 598 HA GLU 86 HA GLU 86 9.233 -3.605 2.088 599 HB2 GLU 86 1HB GLU 86 11.664 -3.429 1.970 600 HB3 GLU 86 2HB GLU 86 11.766 -3.395 3.724 601 HG2 GLU 86 1HG GLU 86 10.549 -5.689 3.566 602 HG3 GLU 86 2HG GLU 86 11.149 -5.676 1.908 603 H TYR 87 H TYR 87 8.149 -5.200 3.122 604 HA TYR 87 HA TYR 87 8.172 -5.368 6.019 605 HB2 TYR 87 1HB TYR 87 5.837 -5.019 6.341 606 HB3 TYR 87 2HB TYR 87 6.419 -3.655 5.394 607 HD1 TYR 87 2HD TYR 87 4.560 -6.848 5.202 608 HD2 TYR 87 1HD TYR 87 5.558 -3.213 3.229 609 HE1 TYR 87 2HE TYR 87 2.846 -7.308 3.500 610 HE2 TYR 87 1HE TYR 87 3.846 -3.662 1.522 611 HH TYR 87 HH TYR 87 2.211 -5.013 0.865 612 H THR 88 H THR 88 7.327 -7.326 6.824 613 HA THR 88 HA THR 88 6.864 -9.382 4.761 614 HB THR 88 HB THR 88 8.055 -9.955 7.469 615 HG1 THR 88 1HG THR 88 9.299 -8.450 5.972 616 HG21 THR 88 1HG2 THR 88 8.554 -12.055 6.632 617 HG22 THR 88 2HG2 THR 88 8.506 -11.513 4.955 618 HG23 THR 88 3HG2 THR 88 7.006 -11.720 5.858 619 HA PRO 89 HA PRO 89 2.961 -9.425 7.061 620 HB2 PRO 89 1HB PRO 89 1.583 -10.712 5.108 621 HB3 PRO 89 2HB PRO 89 1.891 -8.971 5.079 622 HG2 PRO 89 1HG PRO 89 3.328 -11.174 3.649 623 HG3 PRO 89 2HG PRO 89 2.831 -9.584 3.042 624 HD2 PRO 89 1HD PRO 89 5.369 -10.118 3.819 625 HD3 PRO 89 2HD PRO 89 4.632 -8.514 4.004 626 H PHE 90 H PHE 90 2.778 -10.891 8.629 627 HA PHE 90 HA PHE 90 3.577 -13.651 8.155 628 HB2 PHE 90 1HB PHE 90 2.998 -13.782 10.694 629 HB3 PHE 90 2HB PHE 90 4.453 -12.933 10.185 630 HD1 PHE 90 1HD PHE 90 0.904 -12.401 11.126 631 HD2 PHE 90 2HD PHE 90 4.794 -10.708 10.775 632 HE1 PHE 90 1HE PHE 90 0.127 -10.381 12.296 633 HE2 PHE 90 2HE PHE 90 4.022 -8.686 11.946 634 HZ PHE 90 HZ PHE 90 1.687 -8.521 12.708 635 H GLU 91 H GLU 91 1.090 -12.467 7.024 636 HA GLU 91 HA GLU 91 -0.677 -14.636 7.775 637 HB2 GLU 91 1HB GLU 91 -1.214 -11.788 8.460 638 HB3 GLU 91 2HB GLU 91 -2.564 -12.757 7.886 639 HG2 GLU 91 1HG GLU 91 -1.993 -14.430 9.665 640 HG3 GLU 91 2HG GLU 91 -0.848 -13.251 10.302 641 H LYS 92 H LYS 92 -1.637 -15.410 6.015 642 HA LYS 92 HA LYS 92 -1.358 -14.005 3.505 643 HB2 LYS 92 1HB LYS 92 -2.500 -16.099 2.606 644 HB3 LYS 92 2HB LYS 92 -0.927 -16.320 3.362 645 HG2 LYS 92 1HG LYS 92 -1.935 -17.168 5.360 646 HG3 LYS 92 2HG LYS 92 -3.550 -16.776 4.766 647 HD2 LYS 92 1HD LYS 92 -3.545 -18.505 3.227 648 HD3 LYS 92 2HD LYS 92 -1.783 -18.599 3.186 649 HE2 LYS 92 1HE LYS 92 -2.453 -20.509 4.367 650 HE3 LYS 92 2HE LYS 92 -1.938 -19.372 5.612 651 HZ1 LYS 92 1HZ LYS 92 -4.743 -19.913 4.797 652 HZ2 LYS 92 2HZ LYS 92 -4.267 -18.783 5.962 653 HZ3 LYS 92 3HZ LYS 92 -4.003 -20.432 6.228 654 H GLY 93 H GLY 93 -2.742 -12.259 3.537 655 HA2 GLY 93 1HA GLY 93 -5.446 -12.761 2.827 656 HA3 GLY 93 2HA GLY 93 -5.349 -12.176 4.481 657 H LEU 94 H LEU 94 -6.750 -10.530 3.190 658 HA LEU 94 HA LEU 94 -5.161 -8.571 1.747 659 HB2 LEU 94 1HB LEU 94 -7.297 -8.995 0.817 660 HB3 LEU 94 2HB LEU 94 -8.090 -8.808 2.379 661 HG LEU 94 HG LEU 94 -7.549 -6.393 2.320 662 HD11 LEU 94 1HD1 LEU 94 -6.855 -6.677 -0.570 663 HD12 LEU 94 2HD1 LEU 94 -5.602 -6.859 0.657 664 HD13 LEU 94 3HD1 LEU 94 -6.513 -5.353 0.545 665 HD21 LEU 94 1HD2 LEU 94 -9.718 -6.793 1.646 666 HD22 LEU 94 2HD2 LEU 94 -9.222 -7.694 0.213 667 HD23 LEU 94 3HD2 LEU 94 -9.063 -5.937 0.250 668 H HIS 95 H HIS 95 -4.072 -7.069 2.815 669 HA HIS 95 HA HIS 95 -5.050 -6.198 5.445 670 HB2 HIS 95 1HB HIS 95 -2.350 -5.409 4.477 671 HB3 HIS 95 2HB HIS 95 -2.880 -5.848 6.098 672 HD2 HIS 95 2HD HIS 95 -0.427 -7.230 3.917 673 HE1 HIS 95 1HE HIS 95 -2.528 -10.701 5.159 674 HE2 HIS 95 2HE HIS 95 -0.392 -9.804 4.171 675 H VAL 96 H VAL 96 -4.852 -3.916 5.993 676 HA VAL 96 HA VAL 96 -5.376 -2.211 3.651 677 HB VAL 96 HB VAL 96 -6.234 -1.837 6.524 678 HG11 VAL 96 1HG1 VAL 96 -5.699 0.226 5.026 679 HG12 VAL 96 2HG1 VAL 96 -7.227 -0.184 4.242 680 HG13 VAL 96 3HG1 VAL 96 -7.190 0.187 5.966 681 HG21 VAL 96 1HG2 VAL 96 -7.604 -3.510 5.645 682 HG22 VAL 96 2HG2 VAL 96 -8.534 -2.033 5.390 683 HG23 VAL 96 3HG2 VAL 96 -7.652 -2.763 4.048 684 H VAL 97 H VAL 97 -3.522 -1.234 3.093 685 HA VAL 97 HA VAL 97 -1.691 -0.276 5.149 686 HB VAL 97 HB VAL 97 -1.434 -0.241 2.138 687 HG11 VAL 97 1HG1 VAL 97 -0.166 1.469 3.725 688 HG12 VAL 97 2HG1 VAL 97 0.904 0.081 3.936 689 HG13 VAL 97 3HG1 VAL 97 0.614 0.735 2.324 690 HG21 VAL 97 1HG2 VAL 97 0.424 -1.896 3.634 691 HG22 VAL 97 2HG2 VAL 97 -1.253 -2.390 3.870 692 HG23 VAL 97 3HG2 VAL 97 -0.581 -2.301 2.242 693 H GLU 98 H GLU 98 -1.806 1.721 5.912 694 HA GLU 98 HA GLU 98 -3.149 3.775 4.288 695 HB2 GLU 98 1HB GLU 98 -2.904 3.382 7.257 696 HB3 GLU 98 2HB GLU 98 -3.290 4.960 6.585 697 HG2 GLU 98 1HG GLU 98 -5.348 4.275 5.804 698 HG3 GLU 98 2HG GLU 98 -4.891 2.573 5.786 699 H VAL 99 H VAL 99 -1.791 5.106 3.302 700 HA VAL 99 HA VAL 99 0.822 5.656 4.518 701 HB VAL 99 HB VAL 99 -0.147 6.208 1.710 702 HG11 VAL 99 1HG1 VAL 99 2.477 6.389 1.469 703 HG12 VAL 99 2HG1 VAL 99 1.497 7.780 1.938 704 HG13 VAL 99 3HG1 VAL 99 2.364 6.856 3.166 705 HG21 VAL 99 1HG2 VAL 99 1.334 3.950 2.964 706 HG22 VAL 99 2HG2 VAL 99 0.101 3.928 1.703 707 HG23 VAL 99 3HG2 VAL 99 1.748 4.425 1.317 708 H THR 100 H THR 100 1.487 7.690 5.043 709 HA THR 100 HA THR 100 -0.302 9.941 4.483 710 HB THR 100 HB THR 100 -0.051 10.749 6.831 711 HG1 THR 100 1HG THR 100 1.752 9.481 7.436 712 HG21 THR 100 1HG2 THR 100 -1.387 8.053 6.554 713 HG22 THR 100 2HG2 THR 100 -2.096 9.602 6.096 714 HG23 THR 100 3HG2 THR 100 -1.734 9.262 7.788 715 H TYR 101 H TYR 101 0.916 11.376 3.451 716 HA TYR 101 HA TYR 101 3.768 11.564 4.070 717 HB2 TYR 101 1HB TYR 101 3.002 11.326 1.697 718 HB3 TYR 101 2HB TYR 101 2.235 12.904 1.835 719 HD1 TYR 101 1HD TYR 101 3.907 14.790 2.784 720 HD2 TYR 101 2HD TYR 101 5.082 11.264 0.713 721 HE1 TYR 101 1HE TYR 101 6.019 15.876 2.145 722 HE2 TYR 101 2HE TYR 101 7.197 12.340 0.070 723 HH TYR 101 HH TYR 101 8.110 14.583 -0.211 724 H ASP 102 H ASP 102 4.265 12.933 5.648 725 HA ASP 102 HA ASP 102 4.422 14.833 6.889 726 HB2 ASP 102 1HB ASP 102 4.720 15.817 4.562 727 HB3 ASP 102 2HB ASP 102 3.018 16.264 4.634 728 H ASP 103 H ASP 103 2.301 13.179 7.467 729 HA ASP 103 HA ASP 103 0.411 13.143 8.737 730 HB2 ASP 103 1HB ASP 103 0.534 16.162 8.754 731 HB3 ASP 103 2HB ASP 103 -0.270 15.114 9.920 732 H VAL 104 H VAL 104 0.363 13.359 5.807 733 HA VAL 104 HA VAL 104 -2.455 14.103 5.541 734 HB VAL 104 HB VAL 104 -0.291 15.047 3.656 735 HG11 VAL 104 1HG1 VAL 104 -1.889 14.866 2.099 736 HG12 VAL 104 2HG1 VAL 104 -3.163 14.644 3.299 737 HG13 VAL 104 3HG1 VAL 104 -2.614 16.268 2.884 738 HG21 VAL 104 1HG2 VAL 104 -2.228 16.643 5.327 739 HG22 VAL 104 2HG2 VAL 104 -0.544 16.346 5.757 740 HG23 VAL 104 3HG2 VAL 104 -0.933 17.274 4.309 741 HA PRO 105 HA PRO 105 -2.347 10.098 3.597 742 HB2 PRO 105 1HB PRO 105 -4.993 10.004 3.000 743 HB3 PRO 105 2HB PRO 105 -4.365 9.718 4.627 744 HG2 PRO 105 1HG PRO 105 -5.571 12.203 3.473 745 HG3 PRO 105 2HG PRO 105 -5.837 11.465 5.063 746 HD2 PRO 105 1HD PRO 105 -4.195 13.586 4.698 747 HD3 PRO 105 2HD PRO 105 -3.898 12.352 5.939 748 H ILE 106 H ILE 106 -2.536 9.243 1.502 749 HA ILE 106 HA ILE 106 -2.572 11.271 -0.607 750 HB ILE 106 HB ILE 106 -1.743 9.255 -2.007 751 HG12 ILE 106 1HG1 ILE 106 -1.088 8.264 0.775 752 HG13 ILE 106 2HG1 ILE 106 -2.326 7.570 -0.266 753 HG21 ILE 106 1HG2 ILE 106 -0.230 10.786 0.060 754 HG22 ILE 106 2HG2 ILE 106 0.601 9.571 -0.909 755 HG23 ILE 106 3HG2 ILE 106 -0.195 10.933 -1.697 756 HD11 ILE 106 1HD1 ILE 106 0.643 7.475 -0.538 757 HD12 ILE 106 2HD1 ILE 106 -0.534 6.162 -0.593 758 HD13 ILE 106 3HD1 ILE 106 -0.390 7.276 -1.953 759 HA PRO 107 HA PRO 107 -6.400 10.011 -2.345 760 HB2 PRO 107 1HB PRO 107 -5.918 10.308 -5.000 761 HB3 PRO 107 2HB PRO 107 -6.115 11.678 -3.900 762 HG2 PRO 107 1HG PRO 107 -3.601 10.443 -4.957 763 HG3 PRO 107 2HG PRO 107 -4.014 12.158 -4.773 764 HD2 PRO 107 1HD PRO 107 -2.441 10.841 -3.005 765 HD3 PRO 107 2HD PRO 107 -3.520 12.165 -2.522 766 H ASN 108 H ASN 108 -3.710 8.119 -2.524 767 HA ASN 108 HA ASN 108 -4.956 6.100 -4.255 768 HB2 ASN 108 1HB ASN 108 -2.152 6.038 -3.135 769 HB3 ASN 108 2HB ASN 108 -2.802 5.091 -4.471 770 HD21 ASN 108 1HD2 ASN 108 -3.926 6.728 -6.135 771 HD22 ASN 108 2HD2 ASN 108 -2.855 7.971 -6.679 772 H SER 109 H SER 109 -4.255 6.853 -0.988 773 HA SER 109 HA SER 109 -4.651 4.077 -0.134 774 HB2 SER 109 1HB SER 109 -3.405 6.484 1.085 775 HB3 SER 109 2HB SER 109 -4.209 5.363 2.184 776 HG SER 109 HG SER 109 -2.150 4.740 0.331 777 HA PRO 110 HA PRO 110 -4.945 3.518 2.279 778 HB2 PRO 110 1HB PRO 110 -6.709 1.558 2.926 779 HB3 PRO 110 2HB PRO 110 -6.445 2.985 3.936 780 HG2 PRO 110 1HG PRO 110 -8.630 2.438 1.964 781 HG3 PRO 110 2HG PRO 110 -8.736 3.158 3.581 782 HD2 PRO 110 1HD PRO 110 -8.767 4.646 1.319 783 HD3 PRO 110 2HD PRO 110 -8.062 5.233 2.839 784 H PHE 111 H PHE 111 -4.213 1.379 1.698 785 HA PHE 111 HA PHE 111 -4.970 0.668 -1.050 786 HB2 PHE 111 1HB PHE 111 -2.432 0.375 0.525 787 HB3 PHE 111 2HB PHE 111 -2.731 -0.656 -0.871 788 HD1 PHE 111 1HD PHE 111 -3.265 0.502 -3.091 789 HD2 PHE 111 2HD PHE 111 -1.544 2.499 0.251 790 HE1 PHE 111 1HE PHE 111 -2.445 2.281 -4.580 791 HE2 PHE 111 2HE PHE 111 -0.722 4.281 -1.233 792 HZ PHE 111 HZ PHE 111 -1.173 4.174 -3.652 793 H LYS 112 H LYS 112 -4.725 -1.703 -1.579 794 HA LYS 112 HA LYS 112 -5.522 -3.421 0.666 795 HB2 LYS 112 1HB LYS 112 -7.020 -2.872 -1.852 796 HB3 LYS 112 2HB LYS 112 -7.056 -4.510 -1.213 797 HG2 LYS 112 1HG LYS 112 -8.224 -3.899 0.668 798 HG3 LYS 112 2HG LYS 112 -7.661 -2.227 0.604 799 HD2 LYS 112 1HD LYS 112 -9.021 -2.128 -1.608 800 HD3 LYS 112 2HD LYS 112 -9.833 -3.559 -0.969 801 HE2 LYS 112 1HE LYS 112 -10.347 -2.279 1.094 802 HE3 LYS 112 2HE LYS 112 -9.640 -0.849 0.344 803 HZ1 LYS 112 1HZ LYS 112 -11.327 -0.786 -1.265 804 HZ2 LYS 112 2HZ LYS 112 -12.131 -1.081 0.194 805 HZ3 LYS 112 3HZ LYS 112 -11.872 -2.346 -0.899 806 H VAL 113 H VAL 113 -3.795 -4.731 0.785 807 HA VAL 113 HA VAL 113 -2.708 -5.868 -1.695 808 HB VAL 113 HB VAL 113 -1.545 -5.842 1.094 809 HG11 VAL 113 1HG1 VAL 113 0.538 -6.564 -0.277 810 HG12 VAL 113 2HG1 VAL 113 -0.664 -7.775 0.173 811 HG13 VAL 113 3HG1 VAL 113 -0.648 -7.111 -1.462 812 HG21 VAL 113 1HG2 VAL 113 -1.638 -3.669 -0.228 813 HG22 VAL 113 2HG2 VAL 113 -0.052 -4.180 0.351 814 HG23 VAL 113 3HG2 VAL 113 -0.494 -4.422 -1.339 815 H ALA 114 H ALA 114 -3.855 -7.640 -2.219 816 HA ALA 114 HA ALA 114 -4.762 -9.486 -0.169 817 HB1 ALA 114 1HB ALA 114 -6.198 -10.332 -1.717 818 HB2 ALA 114 2HB ALA 114 -5.947 -8.734 -2.420 819 HB3 ALA 114 3HB ALA 114 -5.063 -10.124 -3.050 820 H VAL 115 H VAL 115 -3.120 -10.665 0.656 821 HA VAL 115 HA VAL 115 -0.936 -11.631 -0.913 822 HB VAL 115 HB VAL 115 -1.812 -12.453 1.860 823 HG11 VAL 115 1HG1 VAL 115 0.885 -12.795 0.561 824 HG12 VAL 115 2HG1 VAL 115 0.367 -13.396 2.137 825 HG13 VAL 115 3HG1 VAL 115 -0.329 -14.070 0.663 826 HG21 VAL 115 1HG2 VAL 115 0.170 -10.384 0.923 827 HG22 VAL 115 2HG2 VAL 115 -1.328 -10.098 1.808 828 HG23 VAL 115 3HG2 VAL 115 0.014 -10.932 2.592 829 H THR 116 H THR 116 -0.475 -13.741 -1.545 830 HA THR 116 HA THR 116 -2.736 -15.629 -1.464 831 HB THR 116 HB THR 116 -2.596 -14.681 -3.710 832 HG1 THR 116 1HG THR 116 -1.955 -17.368 -3.231 833 HG21 THR 116 1HG2 THR 116 -0.653 -14.874 -5.090 834 HG22 THR 116 2HG2 THR 116 0.189 -15.830 -3.869 835 HG23 THR 116 3HG2 THR 116 -0.152 -14.125 -3.575 836 H GLU 117 H GLU 117 -2.223 -17.828 -1.347 837 HA GLU 117 HA GLU 117 0.028 -18.509 0.165 838 HB2 GLU 117 1HB GLU 117 -1.916 -20.160 -1.434 839 HB3 GLU 117 2HB GLU 117 -0.595 -20.897 -0.539 840 HG2 GLU 117 1HG GLU 117 -1.502 -19.653 1.492 841 HG3 GLU 117 2HG GLU 117 -2.947 -19.374 0.521 842 H GLY 118 H GLY 118 2.076 -18.447 -0.476 843 HA2 GLY 118 1HA GLY 118 2.694 -19.277 -3.244 844 HA3 GLY 118 2HA GLY 118 3.615 -18.074 -2.354 845 H CYS 119 H CYS 119 5.149 -18.720 -0.864 846 HA CYS 119 HA CYS 119 5.519 -21.586 -0.427 847 HB2 CYS 119 1HB CYS 119 7.889 -21.478 -1.044 848 HB3 CYS 119 2HB CYS 119 6.864 -21.062 -2.412 849 HG CYS 119 HG CYS 119 9.411 -19.463 -1.475 850 H GLN 120 H GLN 120 7.517 -21.883 1.090 851 HA GLN 120 HA GLN 120 7.381 -19.795 3.165 852 HB2 GLN 120 1HB GLN 120 7.834 -21.691 4.783 853 HB3 GLN 120 2HB GLN 120 6.244 -21.685 4.031 854 HG2 GLN 120 1HG GLN 120 6.798 -23.466 2.600 855 HG3 GLN 120 2HG GLN 120 8.519 -23.316 2.953 856 HE21 GLN 120 1HE2 GLN 120 7.665 -25.747 3.181 857 HE22 GLN 120 2HE2 GLN 120 7.412 -26.224 4.822 858 HA PRO 121 HA PRO 121 11.751 -19.432 2.678 859 HB2 PRO 121 1HB PRO 121 12.281 -18.114 4.992 860 HB3 PRO 121 2HB PRO 121 11.518 -17.339 3.598 861 HG2 PRO 121 1HG PRO 121 10.257 -18.430 6.085 862 HG3 PRO 121 2HG PRO 121 9.912 -16.917 5.226 863 HD2 PRO 121 1HD PRO 121 8.365 -19.125 4.967 864 HD3 PRO 121 2HD PRO 121 8.606 -17.967 3.643 865 H SER 122 H SER 122 10.235 -21.513 4.728 866 HA SER 122 HA SER 122 11.749 -22.290 6.777 867 HB2 SER 122 1HB SER 122 10.606 -24.056 4.609 868 HB3 SER 122 2HB SER 122 11.307 -24.699 6.094 869 HG SER 122 HG SER 122 9.389 -22.690 6.335 870 H SER 123 H SER 123 13.810 -22.727 7.176 871 HA SER 123 HA SER 123 15.708 -22.863 5.015 872 HB2 SER 123 1HB SER 123 16.133 -21.650 7.176 873 HB3 SER 123 2HB SER 123 16.229 -23.220 7.974 874 HG SER 123 HG SER 123 18.273 -22.966 7.444 875 H GLY 124 H GLY 124 16.906 -24.596 4.350 876 HA2 GLY 124 1HA GLY 124 16.933 -27.089 5.766 877 HA3 GLY 124 2HA GLY 124 15.869 -27.131 4.368 878 HA PRO 125 HA PRO 125 19.350 -28.274 1.942 879 HB2 PRO 125 1HB PRO 125 18.419 -27.572 -0.510 880 HB3 PRO 125 2HB PRO 125 17.833 -28.988 0.371 881 HG2 PRO 125 1HG PRO 125 16.606 -26.269 0.128 882 HG3 PRO 125 2HG PRO 125 15.827 -27.860 0.040 883 HD2 PRO 125 1HD PRO 125 15.759 -26.326 2.270 884 HD3 PRO 125 2HD PRO 125 15.774 -28.100 2.332 885 H SER 126 H SER 126 21.218 -27.217 1.806 886 HA SER 126 HA SER 126 21.192 -24.356 1.143 887 HB2 SER 126 1HB SER 126 23.114 -26.096 2.669 888 HB3 SER 126 2HB SER 126 23.626 -24.537 2.023 889 HG SER 126 HG SER 126 21.685 -23.708 3.170 890 H SER 127 H SER 127 22.594 -23.503 -0.411 891 HA SER 127 HA SER 127 23.130 -25.265 -2.618 892 HB2 SER 127 1HB SER 127 22.360 -22.758 -2.641 893 HB3 SER 127 2HB SER 127 24.087 -22.425 -2.524 894 HG SER 127 HG SER 127 24.311 -22.990 -4.534 895 H GLY 128 H GLY 128 25.174 -23.078 -0.670 896 HA2 GLY 128 1HA GLY 128 27.396 -24.971 -1.068 897 HA3 GLY 128 2HA GLY 128 27.634 -23.259 -1.385 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -17.603 17.364 34.500 2 HA2 GLY 1 1HA GLY 1 -16.448 15.542 35.714 3 HA3 GLY 1 2HA GLY 1 -16.374 14.695 34.176 4 H SER 2 H SER 2 -14.203 15.465 35.977 5 HA SER 2 HA SER 2 -12.535 16.788 33.988 6 HB2 SER 2 1HB SER 2 -11.599 18.367 35.627 7 HB3 SER 2 2HB SER 2 -13.329 18.631 35.408 8 HG SER 2 HG SER 2 -11.960 17.502 37.589 9 H SER 3 H SER 3 -10.670 15.745 33.792 10 HA SER 3 HA SER 3 -9.335 14.592 36.082 11 HB2 SER 3 1HB SER 3 -10.839 12.768 35.533 12 HB3 SER 3 2HB SER 3 -10.361 12.840 33.837 13 HG SER 3 HG SER 3 -9.322 11.206 35.291 14 H GLY 4 H GLY 4 -7.169 14.578 35.823 15 HA2 GLY 4 1HA GLY 4 -5.313 14.099 34.214 16 HA3 GLY 4 2HA GLY 4 -6.154 15.180 33.113 17 H SER 5 H SER 5 -4.242 16.453 32.978 18 HA SER 5 HA SER 5 -3.892 18.221 35.306 19 HB2 SER 5 1HB SER 5 -1.787 16.922 33.591 20 HB3 SER 5 2HB SER 5 -1.454 18.422 34.457 21 HG SER 5 HG SER 5 -1.017 16.265 35.518 22 H SER 6 H SER 6 -2.743 20.304 34.638 23 HA SER 6 HA SER 6 -4.245 21.456 32.468 24 HB2 SER 6 1HB SER 6 -3.341 23.574 33.201 25 HB3 SER 6 2HB SER 6 -3.813 22.650 34.627 26 HG SER 6 HG SER 6 -1.840 23.024 35.244 27 H GLY 7 H GLY 7 -3.555 21.965 30.470 28 HA2 GLY 7 1HA GLY 7 -1.498 22.788 29.222 29 HA3 GLY 7 2HA GLY 7 -0.747 21.320 29.830 30 H HIS 8 H HIS 8 -2.085 19.273 29.310 31 HA HIS 8 HA HIS 8 -2.059 18.833 26.591 32 HB2 HIS 8 1HB HIS 8 -2.069 16.891 27.870 33 HB3 HIS 8 2HB HIS 8 -3.412 17.436 28.871 34 HD1 HIS 8 1HD HIS 8 -5.473 16.168 28.427 35 HD2 HIS 8 2HD HIS 8 -3.121 16.507 25.019 36 HE1 HIS 8 1HE HIS 8 -6.715 14.926 26.627 37 H PHE 9 H PHE 9 -3.547 18.867 24.946 38 HA PHE 9 HA PHE 9 -6.184 20.019 25.559 39 HB2 PHE 9 1HB PHE 9 -6.050 21.420 23.575 40 HB3 PHE 9 2HB PHE 9 -4.684 21.758 24.633 41 HD1 PHE 9 1HD PHE 9 -2.498 20.437 24.102 42 HD2 PHE 9 2HD PHE 9 -5.676 21.042 21.336 43 HE1 PHE 9 1HE PHE 9 -0.949 20.020 22.237 44 HE2 PHE 9 2HE PHE 9 -4.132 20.626 19.466 45 HZ PHE 9 HZ PHE 9 -1.765 20.113 19.915 46 HA PRO 10 HA PRO 10 -6.974 16.168 23.269 47 HB2 PRO 10 1HB PRO 10 -9.463 15.828 24.298 48 HB3 PRO 10 2HB PRO 10 -7.995 15.334 25.150 49 HG2 PRO 10 1HG PRO 10 -9.652 17.802 25.505 50 HG3 PRO 10 2HG PRO 10 -8.928 16.754 26.738 51 HD2 PRO 10 1HD PRO 10 -7.819 19.110 25.995 52 HD3 PRO 10 2HD PRO 10 -6.846 17.719 26.517 53 H ALA 11 H ALA 11 -7.990 19.275 22.947 54 HA ALA 11 HA ALA 11 -10.149 18.679 21.059 55 HB1 ALA 11 1HB ALA 11 -10.156 21.314 21.029 56 HB2 ALA 11 2HB ALA 11 -10.912 20.410 22.342 57 HB3 ALA 11 3HB ALA 11 -9.305 21.104 22.560 58 H ARG 12 H ARG 12 -9.220 18.007 19.188 59 HA ARG 12 HA ARG 12 -6.860 19.233 18.113 60 HB2 ARG 12 1HB ARG 12 -7.187 17.737 16.216 61 HB3 ARG 12 2HB ARG 12 -7.370 16.859 17.729 62 HG2 ARG 12 1HG ARG 12 -9.859 17.164 17.466 63 HG3 ARG 12 2HG ARG 12 -9.524 17.741 15.832 64 HD2 ARG 12 1HD ARG 12 -9.934 15.494 15.480 65 HD3 ARG 12 2HD ARG 12 -8.176 15.534 15.608 66 HE ARG 12 HE ARG 12 -9.138 15.072 18.158 67 HH11 ARG 12 1HH1 ARG 12 -9.243 13.497 15.056 68 HH12 ARG 12 2HH1 ARG 12 -9.344 11.901 15.723 69 HH21 ARG 12 1HH2 ARG 12 -9.270 12.977 19.050 70 HH22 ARG 12 2HH2 ARG 12 -9.360 11.607 17.995 71 H VAL 13 H VAL 13 -6.707 20.898 16.747 72 HA VAL 13 HA VAL 13 -9.160 22.225 15.904 73 HB VAL 13 HB VAL 13 -7.710 24.093 15.255 74 HG11 VAL 13 1HG1 VAL 13 -7.075 24.782 17.447 75 HG12 VAL 13 2HG1 VAL 13 -8.529 23.794 17.605 76 HG13 VAL 13 3HG1 VAL 13 -6.950 23.113 18.000 77 HG21 VAL 13 1HG2 VAL 13 -5.276 23.071 16.475 78 HG22 VAL 13 2HG2 VAL 13 -5.741 22.176 15.028 79 HG23 VAL 13 3HG2 VAL 13 -5.504 23.922 14.947 80 H LYS 14 H LYS 14 -9.040 23.301 13.670 81 HA LYS 14 HA LYS 14 -8.693 21.196 11.729 82 HB2 LYS 14 1HB LYS 14 -9.590 24.061 11.361 83 HB3 LYS 14 2HB LYS 14 -9.691 22.791 10.147 84 HG2 LYS 14 1HG LYS 14 -11.049 22.528 12.806 85 HG3 LYS 14 2HG LYS 14 -11.805 23.373 11.453 86 HD2 LYS 14 1HD LYS 14 -10.711 20.598 11.135 87 HD3 LYS 14 2HD LYS 14 -12.328 20.872 11.786 88 HE2 LYS 14 1HE LYS 14 -13.126 21.729 9.798 89 HE3 LYS 14 2HE LYS 14 -11.524 22.207 9.240 90 HZ1 LYS 14 1HZ LYS 14 -11.011 19.807 9.004 91 HZ2 LYS 14 2HZ LYS 14 -12.238 20.341 7.970 92 HZ3 LYS 14 3HZ LYS 14 -12.627 19.455 9.357 93 H VAL 15 H VAL 15 -6.857 20.824 10.693 94 HA VAL 15 HA VAL 15 -5.068 23.099 10.132 95 HB VAL 15 HB VAL 15 -4.251 20.277 10.839 96 HG11 VAL 15 1HG1 VAL 15 -2.897 22.303 9.344 97 HG12 VAL 15 2HG1 VAL 15 -2.051 22.036 10.869 98 HG13 VAL 15 3HG1 VAL 15 -2.346 20.684 9.775 99 HG21 VAL 15 1HG2 VAL 15 -3.024 21.756 12.665 100 HG22 VAL 15 2HG2 VAL 15 -4.390 22.827 12.357 101 HG23 VAL 15 3HG2 VAL 15 -4.672 21.172 12.896 102 H GLU 16 H GLU 16 -5.392 23.476 8.017 103 HA GLU 16 HA GLU 16 -5.963 21.419 6.124 104 HB2 GLU 16 1HB GLU 16 -5.308 24.347 5.879 105 HB3 GLU 16 2HB GLU 16 -5.510 23.327 4.461 106 HG2 GLU 16 1HG GLU 16 -7.540 24.109 6.515 107 HG3 GLU 16 2HG GLU 16 -7.591 24.321 4.766 108 HA PRO 17 HA PRO 17 -1.906 20.104 5.059 109 HB2 PRO 17 1HB PRO 17 -2.340 19.295 2.504 110 HB3 PRO 17 2HB PRO 17 -2.918 18.391 3.910 111 HG2 PRO 17 1HG PRO 17 -4.406 20.287 2.134 112 HG3 PRO 17 2HG PRO 17 -4.927 18.723 2.787 113 HD2 PRO 17 1HD PRO 17 -5.702 21.083 3.865 114 HD3 PRO 17 2HD PRO 17 -5.467 19.618 4.841 115 H ALA 18 H ALA 18 -0.188 21.311 4.590 116 HA ALA 18 HA ALA 18 -0.455 23.511 2.681 117 HB1 ALA 18 1HB ALA 18 1.518 24.436 3.665 118 HB2 ALA 18 2HB ALA 18 0.443 23.931 4.969 119 HB3 ALA 18 3HB ALA 18 1.841 22.943 4.547 120 H VAL 19 H VAL 19 -0.011 20.517 2.116 121 HA VAL 19 HA VAL 19 2.148 20.942 0.172 122 HB VAL 19 HB VAL 19 3.052 19.661 2.100 123 HG11 VAL 19 1HG1 VAL 19 1.864 17.129 1.541 124 HG12 VAL 19 2HG1 VAL 19 1.884 18.034 3.056 125 HG13 VAL 19 3HG1 VAL 19 0.587 18.295 1.889 126 HG21 VAL 19 1HG2 VAL 19 2.828 18.056 -0.445 127 HG22 VAL 19 2HG2 VAL 19 3.953 19.388 -0.176 128 HG23 VAL 19 3HG2 VAL 19 4.090 17.911 0.778 129 H ASP 20 H ASP 20 2.058 19.535 -1.678 130 HA ASP 20 HA ASP 20 -0.692 18.736 -2.297 131 HB2 ASP 20 1HB ASP 20 1.465 18.781 -4.363 132 HB3 ASP 20 2HB ASP 20 -0.247 19.164 -4.521 133 H THR 21 H THR 21 -1.143 16.672 -1.926 134 HA THR 21 HA THR 21 0.807 14.641 -2.781 135 HB THR 21 HB THR 21 0.370 13.267 -0.873 136 HG1 THR 21 1HG THR 21 -1.276 15.185 0.352 137 HG21 THR 21 1HG2 THR 21 1.979 15.204 -0.631 138 HG22 THR 21 2HG2 THR 21 1.345 14.545 0.877 139 HG23 THR 21 3HG2 THR 21 0.696 16.051 0.231 140 H SER 22 H SER 22 -0.805 15.028 -4.661 141 HA SER 22 HA SER 22 -3.004 13.091 -4.357 142 HB2 SER 22 1HB SER 22 -3.594 15.629 -4.634 143 HB3 SER 22 2HB SER 22 -3.184 15.347 -6.326 144 HG SER 22 HG SER 22 -5.456 15.015 -5.668 145 H ARG 23 H ARG 23 -0.320 14.237 -6.189 146 HA ARG 23 HA ARG 23 -0.922 12.466 -8.434 147 HB2 ARG 23 1HB ARG 23 1.461 14.291 -8.123 148 HB3 ARG 23 2HB ARG 23 0.858 13.557 -9.602 149 HG2 ARG 23 1HG ARG 23 -0.911 15.028 -9.771 150 HG3 ARG 23 2HG ARG 23 -0.883 15.418 -8.050 151 HD2 ARG 23 1HD ARG 23 0.010 17.324 -9.023 152 HD3 ARG 23 2HD ARG 23 1.446 16.415 -8.554 153 HE ARG 23 HE ARG 23 1.968 16.147 -10.772 154 HH11 ARG 23 1HH1 ARG 23 -1.306 17.295 -10.480 155 HH12 ARG 23 2HH1 ARG 23 -1.490 17.594 -12.176 156 HH21 ARG 23 1HH2 ARG 23 1.737 16.537 -13.008 157 HH22 ARG 23 2HH2 ARG 23 0.241 17.162 -13.613 158 H ILE 24 H ILE 24 0.294 12.013 -5.503 159 HA ILE 24 HA ILE 24 2.785 10.756 -5.918 160 HB ILE 24 HB ILE 24 0.732 10.488 -3.733 161 HG12 ILE 24 1HG1 ILE 24 3.488 11.731 -3.858 162 HG13 ILE 24 2HG1 ILE 24 1.957 12.599 -3.817 163 HG21 ILE 24 1HG2 ILE 24 2.929 8.712 -4.356 164 HG22 ILE 24 2HG2 ILE 24 3.111 9.443 -2.762 165 HG23 ILE 24 3HG2 ILE 24 1.647 8.542 -3.157 166 HD11 ILE 24 1HD1 ILE 24 1.944 10.914 -1.584 167 HD12 ILE 24 2HD1 ILE 24 3.554 11.630 -1.653 168 HD13 ILE 24 3HD1 ILE 24 2.128 12.667 -1.617 169 H LYS 25 H LYS 25 3.253 8.903 -6.884 170 HA LYS 25 HA LYS 25 1.117 6.898 -7.192 171 HB2 LYS 25 1HB LYS 25 3.270 7.846 -9.020 172 HB3 LYS 25 2HB LYS 25 2.810 6.151 -9.108 173 HG2 LYS 25 1HG LYS 25 0.785 8.358 -9.275 174 HG3 LYS 25 2HG LYS 25 1.648 7.758 -10.693 175 HD2 LYS 25 1HD LYS 25 0.741 5.573 -10.418 176 HD3 LYS 25 2HD LYS 25 0.092 5.977 -8.827 177 HE2 LYS 25 1HE LYS 25 -1.700 5.980 -10.435 178 HE3 LYS 25 2HE LYS 25 -1.398 7.634 -9.905 179 HZ1 LYS 25 1HZ LYS 25 -1.718 7.441 -12.318 180 HZ2 LYS 25 2HZ LYS 25 -0.351 6.450 -12.419 181 HZ3 LYS 25 3HZ LYS 25 -0.193 8.060 -11.923 182 H VAL 26 H VAL 26 1.912 4.627 -7.375 183 HA VAL 26 HA VAL 26 4.441 4.074 -6.045 184 HB VAL 26 HB VAL 26 3.263 2.468 -4.464 185 HG11 VAL 26 1HG1 VAL 26 3.164 4.062 -2.772 186 HG12 VAL 26 2HG1 VAL 26 4.247 4.797 -3.956 187 HG13 VAL 26 3HG1 VAL 26 2.565 5.317 -3.855 188 HG21 VAL 26 1HG2 VAL 26 1.063 2.763 -5.775 189 HG22 VAL 26 2HG2 VAL 26 0.987 2.673 -4.016 190 HG23 VAL 26 3HG2 VAL 26 0.870 4.236 -4.824 191 H PHE 27 H PHE 27 5.366 2.259 -6.792 192 HA PHE 27 HA PHE 27 3.686 0.290 -8.181 193 HB2 PHE 27 1HB PHE 27 5.678 0.099 -9.828 194 HB3 PHE 27 2HB PHE 27 4.552 1.437 -10.024 195 HD1 PHE 27 2HD PHE 27 7.895 0.492 -8.797 196 HD2 PHE 27 1HD PHE 27 5.254 3.683 -9.776 197 HE1 PHE 27 2HE PHE 27 9.768 2.082 -8.655 198 HE2 PHE 27 1HE PHE 27 7.122 5.277 -9.637 199 HZ PHE 27 HZ PHE 27 9.383 4.478 -9.074 200 H GLY 28 H GLY 28 4.185 -1.795 -7.779 201 HA2 GLY 28 1HA GLY 28 6.432 -3.139 -7.378 202 HA3 GLY 28 2HA GLY 28 6.312 -2.293 -5.842 203 HA PRO 29 HA PRO 29 3.774 -6.324 -5.973 204 HB2 PRO 29 1HB PRO 29 5.442 -7.897 -4.519 205 HB3 PRO 29 2HB PRO 29 5.514 -7.793 -6.282 206 HG2 PRO 29 1HG PRO 29 7.209 -6.419 -4.232 207 HG3 PRO 29 2HG PRO 29 7.697 -7.194 -5.750 208 HD2 PRO 29 1HD PRO 29 7.420 -4.512 -5.506 209 HD3 PRO 29 2HD PRO 29 7.085 -5.372 -7.023 210 H GLY 30 H GLY 30 5.747 -4.791 -3.472 211 HA2 GLY 30 1HA GLY 30 4.402 -5.783 -1.219 212 HA3 GLY 30 2HA GLY 30 5.302 -4.275 -1.281 213 H ILE 31 H ILE 31 3.443 -3.410 -3.532 214 HA ILE 31 HA ILE 31 1.204 -2.613 -1.788 215 HB ILE 31 HB ILE 31 2.810 -0.809 -2.620 216 HG12 ILE 31 1HG1 ILE 31 0.824 0.702 -3.277 217 HG13 ILE 31 2HG1 ILE 31 -0.173 -0.728 -3.028 218 HG21 ILE 31 1HG2 ILE 31 2.313 -1.997 -5.070 219 HG22 ILE 31 2HG2 ILE 31 1.384 -0.500 -5.124 220 HG23 ILE 31 3HG2 ILE 31 3.116 -0.451 -4.797 221 HD11 ILE 31 1HD1 ILE 31 1.443 0.798 -1.023 222 HD12 ILE 31 2HD1 ILE 31 -0.284 0.439 -1.015 223 HD13 ILE 31 3HD1 ILE 31 0.886 -0.846 -0.714 224 H GLU 32 H GLU 32 2.099 -4.197 -4.684 225 HA GLU 32 HA GLU 32 -0.536 -3.959 -5.891 226 HB2 GLU 32 1HB GLU 32 1.987 -5.375 -6.752 227 HB3 GLU 32 2HB GLU 32 0.477 -5.465 -7.649 228 HG2 GLU 32 1HG GLU 32 1.633 -2.800 -6.983 229 HG3 GLU 32 2HG GLU 32 2.305 -3.740 -8.315 230 H GLY 33 H GLY 33 1.547 -6.517 -4.560 231 HA2 GLY 33 1HA GLY 33 0.591 -8.203 -3.117 232 HA3 GLY 33 2HA GLY 33 -0.894 -8.088 -4.048 233 H LYS 34 H LYS 34 2.481 -8.450 -5.100 234 HA LYS 34 HA LYS 34 1.651 -10.751 -6.712 235 HB2 LYS 34 1HB LYS 34 4.311 -9.337 -6.824 236 HB3 LYS 34 2HB LYS 34 3.592 -10.385 -8.040 237 HG2 LYS 34 1HG LYS 34 2.481 -7.705 -7.235 238 HG3 LYS 34 2HG LYS 34 3.535 -7.980 -8.624 239 HD2 LYS 34 1HD LYS 34 1.091 -9.653 -8.377 240 HD3 LYS 34 2HD LYS 34 0.892 -7.963 -8.847 241 HE2 LYS 34 1HE LYS 34 1.158 -8.910 -10.908 242 HE3 LYS 34 2HE LYS 34 2.843 -8.565 -10.520 243 HZ1 LYS 34 1HZ LYS 34 1.545 -11.086 -10.904 244 HZ2 LYS 34 2HZ LYS 34 2.412 -11.033 -9.453 245 HZ3 LYS 34 3HZ LYS 34 3.195 -10.711 -10.918 246 H ASP 35 H ASP 35 4.671 -9.901 -5.020 247 HA ASP 35 HA ASP 35 4.910 -12.712 -4.205 248 HB2 ASP 35 1HB ASP 35 7.314 -11.949 -3.652 249 HB3 ASP 35 2HB ASP 35 6.865 -12.109 -5.347 250 H VAL 36 H VAL 36 3.205 -10.684 -2.885 251 HA VAL 36 HA VAL 36 4.499 -10.059 -0.386 252 HB VAL 36 HB VAL 36 1.558 -9.883 -1.045 253 HG11 VAL 36 1HG1 VAL 36 3.257 -9.011 1.222 254 HG12 VAL 36 2HG1 VAL 36 1.969 -7.922 0.704 255 HG13 VAL 36 3HG1 VAL 36 1.584 -9.568 1.207 256 HG21 VAL 36 1HG2 VAL 36 3.794 -7.920 -1.499 257 HG22 VAL 36 2HG2 VAL 36 2.662 -8.573 -2.684 258 HG23 VAL 36 3HG2 VAL 36 2.095 -7.448 -1.450 259 H PHE 37 H PHE 37 3.818 -12.917 -1.468 260 HA PHE 37 HA PHE 37 1.998 -14.252 0.040 261 HB2 PHE 37 1HB PHE 37 4.774 -15.363 -0.315 262 HB3 PHE 37 2HB PHE 37 3.241 -16.229 -0.317 263 HD1 PHE 37 1HD PHE 37 1.649 -14.600 -2.173 264 HD2 PHE 37 2HD PHE 37 5.718 -15.833 -2.378 265 HE1 PHE 37 1HE PHE 37 1.567 -14.452 -4.628 266 HE2 PHE 37 2HE PHE 37 5.643 -15.685 -4.832 267 HZ PHE 37 HZ PHE 37 3.566 -14.993 -5.961 268 H ARG 38 H ARG 38 1.966 -15.300 2.053 269 HA ARG 38 HA ARG 38 2.849 -13.868 4.237 270 HB2 ARG 38 1HB ARG 38 1.125 -15.799 4.072 271 HB3 ARG 38 2HB ARG 38 2.502 -16.847 4.385 272 HG2 ARG 38 1HG ARG 38 2.929 -15.625 6.477 273 HG3 ARG 38 2HG ARG 38 1.499 -14.638 6.167 274 HD2 ARG 38 1HD ARG 38 0.045 -16.398 6.535 275 HD3 ARG 38 2HD ARG 38 1.272 -17.616 6.192 276 HE ARG 38 HE ARG 38 1.890 -16.092 8.524 277 HH11 ARG 38 1HH1 ARG 38 -0.030 -18.737 7.324 278 HH12 ARG 38 2HH1 ARG 38 -0.138 -19.528 8.862 279 HH21 ARG 38 1HH2 ARG 38 1.754 -17.123 10.554 280 HH22 ARG 38 2HH2 ARG 38 0.876 -18.608 10.699 281 H GLU 39 H GLU 39 4.641 -13.828 5.492 282 HA GLU 39 HA GLU 39 6.789 -14.160 6.168 283 HB2 GLU 39 1HB GLU 39 6.436 -16.893 4.922 284 HB3 GLU 39 2HB GLU 39 7.738 -16.421 6.005 285 HG2 GLU 39 1HG GLU 39 6.352 -16.342 7.853 286 HG3 GLU 39 2HG GLU 39 4.894 -16.170 6.878 287 H ALA 40 H ALA 40 6.105 -13.141 3.469 288 HA ALA 40 HA ALA 40 8.619 -13.797 2.076 289 HB1 ALA 40 1HB ALA 40 6.327 -14.262 0.971 290 HB2 ALA 40 2HB ALA 40 6.284 -12.518 0.710 291 HB3 ALA 40 3HB ALA 40 7.593 -13.480 0.023 292 H THR 41 H THR 41 9.950 -12.160 1.390 293 HA THR 41 HA THR 41 9.595 -9.607 2.714 294 HB THR 41 HB THR 41 11.876 -10.504 0.944 295 HG1 THR 41 1HG THR 41 11.918 -10.459 3.774 296 HG21 THR 41 1HG2 THR 41 12.731 -8.471 1.261 297 HG22 THR 41 2HG2 THR 41 12.588 -8.656 3.009 298 HG23 THR 41 3HG2 THR 41 11.243 -7.996 2.079 299 H THR 42 H THR 42 8.082 -8.397 1.679 300 HA THR 42 HA THR 42 8.560 -7.823 -1.174 301 HB THR 42 HB THR 42 6.398 -9.000 -0.696 302 HG1 THR 42 1HG THR 42 6.501 -6.416 -1.845 303 HG21 THR 42 1HG2 THR 42 4.597 -7.789 0.376 304 HG22 THR 42 2HG2 THR 42 5.647 -6.396 0.637 305 HG23 THR 42 3HG2 THR 42 5.961 -7.909 1.487 306 H ASP 43 H ASP 43 8.472 -5.696 -1.864 307 HA ASP 43 HA ASP 43 7.888 -3.587 0.045 308 HB2 ASP 43 1HB ASP 43 10.035 -2.494 -0.155 309 HB3 ASP 43 2HB ASP 43 10.290 -4.143 0.411 310 H PHE 44 H PHE 44 7.727 -1.483 -0.941 311 HA PHE 44 HA PHE 44 7.421 -1.590 -3.869 312 HB2 PHE 44 1HB PHE 44 5.504 -0.037 -3.631 313 HB3 PHE 44 2HB PHE 44 5.216 -1.586 -2.847 314 HD1 PHE 44 2HD PHE 44 5.194 -1.762 -0.411 315 HD2 PHE 44 1HD PHE 44 5.680 1.987 -2.368 316 HE1 PHE 44 2HE PHE 44 4.661 -0.600 1.691 317 HE2 PHE 44 1HE PHE 44 5.149 3.155 -0.269 318 HZ PHE 44 HZ PHE 44 4.637 1.862 1.764 319 H THR 45 H THR 45 7.215 0.759 -4.752 320 HA THR 45 HA THR 45 9.220 2.452 -3.410 321 HB THR 45 HB THR 45 8.939 2.041 -6.394 322 HG1 THR 45 1HG THR 45 10.647 0.973 -4.434 323 HG21 THR 45 1HG2 THR 45 11.033 3.386 -6.488 324 HG22 THR 45 2HG2 THR 45 10.843 3.728 -4.768 325 HG23 THR 45 3HG2 THR 45 9.636 4.298 -5.920 326 H VAL 46 H VAL 46 8.631 4.501 -3.070 327 HA VAL 46 HA VAL 46 6.116 5.428 -4.268 328 HB VAL 46 HB VAL 46 7.615 6.447 -1.851 329 HG11 VAL 46 1HG1 VAL 46 5.643 7.871 -1.477 330 HG12 VAL 46 2HG1 VAL 46 6.485 8.276 -2.974 331 HG13 VAL 46 3HG1 VAL 46 4.987 7.347 -3.028 332 HG21 VAL 46 1HG2 VAL 46 6.504 4.274 -1.537 333 HG22 VAL 46 2HG2 VAL 46 5.757 5.547 -0.572 334 HG23 VAL 46 3HG2 VAL 46 4.979 4.993 -2.055 335 H ASP 47 H ASP 47 6.315 6.685 -5.992 336 HA ASP 47 HA ASP 47 8.757 8.168 -6.481 337 HB2 ASP 47 1HB ASP 47 7.202 6.874 -8.191 338 HB3 ASP 47 2HB ASP 47 6.358 8.419 -8.242 339 H SER 48 H SER 48 9.064 10.198 -5.876 340 HA SER 48 HA SER 48 6.741 11.981 -5.632 341 HB2 SER 48 1HB SER 48 7.899 12.977 -3.592 342 HB3 SER 48 2HB SER 48 7.172 11.386 -3.370 343 HG SER 48 HG SER 48 9.093 10.533 -3.112 344 H ARG 49 H ARG 49 7.054 14.046 -6.316 345 HA ARG 49 HA ARG 49 9.769 14.766 -7.206 346 HB2 ARG 49 1HB ARG 49 7.216 14.733 -8.687 347 HB3 ARG 49 2HB ARG 49 8.193 16.178 -8.908 348 HG2 ARG 49 1HG ARG 49 9.956 14.990 -9.857 349 HG3 ARG 49 2HG ARG 49 9.382 13.449 -9.217 350 HD2 ARG 49 1HD ARG 49 7.634 13.328 -10.781 351 HD3 ARG 49 2HD ARG 49 7.784 15.033 -11.204 352 HE ARG 49 HE ARG 49 10.182 13.983 -11.917 353 HH11 ARG 49 1HH1 ARG 49 6.874 13.169 -12.637 354 HH12 ARG 49 2HH1 ARG 49 7.237 12.527 -14.205 355 HH21 ARG 49 1HH2 ARG 49 10.671 13.141 -13.979 356 HH22 ARG 49 2HH2 ARG 49 9.397 12.511 -14.967 357 HA PRO 50 HA PRO 50 7.689 18.961 -6.194 358 HB2 PRO 50 1HB PRO 50 5.019 19.007 -5.704 359 HB3 PRO 50 2HB PRO 50 5.700 19.151 -7.329 360 HG2 PRO 50 1HG PRO 50 4.542 16.751 -5.966 361 HG3 PRO 50 2HG PRO 50 4.311 17.311 -7.632 362 HD2 PRO 50 1HD PRO 50 6.015 15.306 -6.992 363 HD3 PRO 50 2HD PRO 50 6.314 16.418 -8.343 364 H LEU 51 H LEU 51 7.576 16.179 -4.476 365 HA LEU 51 HA LEU 51 6.808 17.504 -1.964 366 HB2 LEU 51 1HB LEU 51 7.211 14.553 -2.294 367 HB3 LEU 51 2HB LEU 51 6.295 15.409 -1.056 368 HG LEU 51 HG LEU 51 5.513 14.920 -3.923 369 HD11 LEU 51 1HD1 LEU 51 3.443 14.155 -2.361 370 HD12 LEU 51 2HD1 LEU 51 4.807 13.785 -1.308 371 HD13 LEU 51 3HD1 LEU 51 4.721 13.074 -2.919 372 HD21 LEU 51 1HD2 LEU 51 5.015 17.267 -2.817 373 HD22 LEU 51 2HD2 LEU 51 3.724 16.356 -2.032 374 HD23 LEU 51 3HD2 LEU 51 3.807 16.431 -3.793 375 H THR 52 H THR 52 9.242 15.330 -3.368 376 HA THR 52 HA THR 52 11.227 16.480 -1.546 377 HB THR 52 HB THR 52 10.350 14.276 -0.626 378 HG1 THR 52 1HG THR 52 12.781 13.513 -0.614 379 HG21 THR 52 1HG2 THR 52 10.611 13.372 -3.171 380 HG22 THR 52 2HG2 THR 52 10.574 12.330 -1.749 381 HG23 THR 52 3HG2 THR 52 12.118 12.799 -2.459 382 H GLN 53 H GLN 53 13.491 15.699 -2.190 383 HA GLN 53 HA GLN 53 13.687 15.279 -5.088 384 HB2 GLN 53 1HB GLN 53 15.302 17.323 -3.555 385 HB3 GLN 53 2HB GLN 53 15.410 16.985 -5.277 386 HG2 GLN 53 1HG GLN 53 12.894 17.964 -3.964 387 HG3 GLN 53 2HG GLN 53 14.123 19.045 -4.618 388 HE21 GLN 53 1HE2 GLN 53 11.400 17.175 -5.291 389 HE22 GLN 53 2HE2 GLN 53 11.413 17.324 -7.012 390 H VAL 54 H VAL 54 15.297 15.242 -1.947 391 HA VAL 54 HA VAL 54 17.236 13.300 -3.017 392 HB VAL 54 HB VAL 54 18.711 13.875 -1.187 393 HG11 VAL 54 1HG1 VAL 54 19.430 15.389 -2.656 394 HG12 VAL 54 2HG1 VAL 54 17.787 15.800 -3.149 395 HG13 VAL 54 3HG1 VAL 54 18.507 16.579 -1.740 396 HG21 VAL 54 1HG2 VAL 54 16.386 14.726 0.083 397 HG22 VAL 54 2HG2 VAL 54 18.033 14.843 0.701 398 HG23 VAL 54 3HG2 VAL 54 17.322 16.198 -0.175 399 H GLY 55 H GLY 55 14.646 12.443 -2.368 400 HA2 GLY 55 1HA GLY 55 13.842 10.503 -1.364 401 HA3 GLY 55 2HA GLY 55 15.293 10.445 -0.374 402 H GLY 56 H GLY 56 15.401 11.775 1.523 403 HA2 GLY 56 1HA GLY 56 14.481 13.091 3.232 404 HA3 GLY 56 2HA GLY 56 12.935 13.056 2.397 405 H ASP 57 H ASP 57 12.750 12.732 4.998 406 HA ASP 57 HA ASP 57 12.186 9.864 5.301 407 HB2 ASP 57 1HB ASP 57 14.274 10.491 6.537 408 HB3 ASP 57 2HB ASP 57 13.309 11.603 7.505 409 H HIS 58 H HIS 58 10.363 11.831 4.497 410 HA HIS 58 HA HIS 58 8.725 12.283 6.895 411 HB2 HIS 58 1HB HIS 58 8.981 13.683 4.276 412 HB3 HIS 58 2HB HIS 58 7.408 13.703 5.068 413 HD1 HIS 58 1HD HIS 58 7.515 16.208 5.594 414 HD2 HIS 58 2HD HIS 58 10.662 14.029 7.209 415 HE1 HIS 58 1HE HIS 58 8.650 17.764 7.211 416 H ILE 59 H ILE 59 8.968 9.702 5.578 417 HA ILE 59 HA ILE 59 6.213 9.376 4.583 418 HB ILE 59 HB ILE 59 8.640 7.673 4.008 419 HG12 ILE 59 1HG1 ILE 59 8.600 9.797 2.776 420 HG13 ILE 59 2HG1 ILE 59 8.333 8.434 1.695 421 HG21 ILE 59 1HG2 ILE 59 5.747 7.212 3.645 422 HG22 ILE 59 2HG2 ILE 59 6.786 6.784 2.287 423 HG23 ILE 59 3HG2 ILE 59 7.062 6.060 3.871 424 HD11 ILE 59 1HD1 ILE 59 6.618 9.619 0.922 425 HD12 ILE 59 2HD1 ILE 59 5.786 9.141 2.403 426 HD13 ILE 59 3HD1 ILE 59 6.616 10.695 2.319 427 H LYS 60 H LYS 60 4.920 7.802 5.454 428 HA LYS 60 HA LYS 60 5.995 5.961 7.427 429 HB2 LYS 60 1HB LYS 60 5.485 8.043 8.692 430 HB3 LYS 60 2HB LYS 60 3.812 7.921 8.162 431 HG2 LYS 60 1HG LYS 60 3.735 7.005 10.274 432 HG3 LYS 60 2HG LYS 60 3.892 5.575 9.251 433 HD2 LYS 60 1HD LYS 60 6.416 5.816 9.633 434 HD3 LYS 60 2HD LYS 60 5.980 6.914 10.945 435 HE2 LYS 60 1HE LYS 60 4.482 5.039 11.797 436 HE3 LYS 60 2HE LYS 60 5.326 3.993 10.656 437 HZ1 LYS 60 1HZ LYS 60 6.161 4.871 13.210 438 HZ2 LYS 60 2HZ LYS 60 7.279 5.376 12.046 439 HZ3 LYS 60 3HZ LYS 60 6.887 3.736 12.186 440 H ALA 61 H ALA 61 4.890 4.081 7.490 441 HA ALA 61 HA ALA 61 2.241 3.988 6.212 442 HB1 ALA 61 1HB ALA 61 4.485 3.030 4.998 443 HB2 ALA 61 2HB ALA 61 3.875 1.592 5.817 444 HB3 ALA 61 3HB ALA 61 2.844 2.465 4.684 445 H HIS 62 H HIS 62 1.002 2.024 6.773 446 HA HIS 62 HA HIS 62 1.818 0.593 9.157 447 HB2 HIS 62 1HB HIS 62 0.814 2.666 10.055 448 HB3 HIS 62 2HB HIS 62 -0.671 2.314 9.177 449 HD1 HIS 62 1HD HIS 62 1.173 1.496 12.269 450 HD2 HIS 62 2HD HIS 62 -2.149 0.094 10.205 451 HE1 HIS 62 1HE HIS 62 -0.054 0.019 13.893 452 H ILE 63 H ILE 63 1.489 -1.419 8.460 453 HA ILE 63 HA ILE 63 -0.702 -2.063 6.686 454 HB ILE 63 HB ILE 63 1.414 -3.815 7.940 455 HG12 ILE 63 1HG1 ILE 63 1.114 -3.016 5.047 456 HG13 ILE 63 2HG1 ILE 63 2.067 -2.073 6.189 457 HG21 ILE 63 1HG2 ILE 63 -1.000 -4.453 6.385 458 HG22 ILE 63 2HG2 ILE 63 0.482 -5.238 5.842 459 HG23 ILE 63 3HG2 ILE 63 -0.071 -5.451 7.503 460 HD11 ILE 63 1HD1 ILE 63 3.788 -3.372 5.714 461 HD12 ILE 63 2HD1 ILE 63 2.934 -4.714 6.477 462 HD13 ILE 63 3HD1 ILE 63 2.775 -4.439 4.742 463 H ALA 64 H ALA 64 -2.431 -3.418 7.138 464 HA ALA 64 HA ALA 64 -2.841 -4.151 9.956 465 HB1 ALA 64 1HB ALA 64 -4.625 -2.512 8.210 466 HB2 ALA 64 2HB ALA 64 -5.325 -3.540 9.460 467 HB3 ALA 64 3HB ALA 64 -4.178 -2.275 9.900 468 H ASN 65 H ASN 65 -3.003 -6.291 10.011 469 HA ASN 65 HA ASN 65 -3.778 -7.834 7.725 470 HB2 ASN 65 1HB ASN 65 -3.058 -8.517 10.568 471 HB3 ASN 65 2HB ASN 65 -3.655 -9.746 9.456 472 HD21 ASN 65 1HD2 ASN 65 -1.040 -9.409 10.766 473 HD22 ASN 65 2HD2 ASN 65 0.120 -9.403 9.486 474 HA PRO 66 HA PRO 66 -8.105 -8.195 8.384 475 HB2 PRO 66 1HB PRO 66 -8.557 -10.696 7.429 476 HB3 PRO 66 2HB PRO 66 -8.187 -9.320 6.383 477 HG2 PRO 66 1HG PRO 66 -6.375 -11.486 7.375 478 HG3 PRO 66 2HG PRO 66 -6.487 -10.776 5.754 479 HD2 PRO 66 1HD PRO 66 -4.563 -10.070 7.524 480 HD3 PRO 66 2HD PRO 66 -5.234 -8.932 6.338 481 H SER 67 H SER 67 -5.869 -10.037 10.095 482 HA SER 67 HA SER 67 -7.888 -11.511 11.609 483 HB2 SER 67 1HB SER 67 -4.934 -11.703 11.288 484 HB3 SER 67 2HB SER 67 -5.619 -12.231 12.824 485 HG SER 67 HG SER 67 -7.019 -13.604 11.598 486 H GLY 68 H GLY 68 -5.944 -8.680 11.795 487 HA2 GLY 68 1HA GLY 68 -6.807 -7.052 13.475 488 HA3 GLY 68 2HA GLY 68 -6.695 -8.366 14.637 489 H ALA 69 H ALA 69 -4.120 -9.163 13.153 490 HA ALA 69 HA ALA 69 -2.345 -7.808 14.927 491 HB1 ALA 69 1HB ALA 69 -1.759 -9.641 12.606 492 HB2 ALA 69 2HB ALA 69 -0.583 -9.104 13.807 493 HB3 ALA 69 3HB ALA 69 -1.944 -10.114 14.295 494 H SER 70 H SER 70 -0.146 -7.046 13.836 495 HA SER 70 HA SER 70 -0.696 -5.339 11.524 496 HB2 SER 70 1HB SER 70 0.343 -3.392 12.670 497 HB3 SER 70 2HB SER 70 -1.162 -3.905 13.432 498 HG SER 70 HG SER 70 1.448 -4.030 14.376 499 H THR 71 H THR 71 0.922 -5.380 10.108 500 HA THR 71 HA THR 71 3.423 -6.671 10.880 501 HB THR 71 HB THR 71 2.582 -5.820 8.107 502 HG1 THR 71 1HG THR 71 2.109 -8.244 9.525 503 HG21 THR 71 1HG2 THR 71 4.276 -7.243 7.315 504 HG22 THR 71 2HG2 THR 71 4.453 -8.044 8.876 505 HG23 THR 71 3HG2 THR 71 5.018 -6.387 8.666 506 H GLU 72 H GLU 72 5.206 -5.556 11.304 507 HA GLU 72 HA GLU 72 5.347 -2.774 11.327 508 HB2 GLU 72 1HB GLU 72 6.824 -4.472 12.549 509 HB3 GLU 72 2HB GLU 72 7.763 -4.554 11.065 510 HG2 GLU 72 1HG GLU 72 8.953 -2.967 12.150 511 HG3 GLU 72 2HG GLU 72 7.771 -1.926 11.357 512 H CYS 73 H CYS 73 6.564 -1.298 10.048 513 HA CYS 73 HA CYS 73 6.998 -2.194 7.275 514 HB2 CYS 73 1HB CYS 73 6.274 0.044 6.531 515 HB3 CYS 73 2HB CYS 73 4.997 -0.807 7.392 516 HG CYS 73 HG CYS 73 4.527 1.081 9.054 517 H PHE 74 H PHE 74 8.866 -1.608 6.302 518 HA PHE 74 HA PHE 74 10.710 0.078 7.865 519 HB2 PHE 74 1HB PHE 74 11.365 -2.242 6.036 520 HB3 PHE 74 2HB PHE 74 12.552 -1.226 6.849 521 HD1 PHE 74 1HD PHE 74 9.540 -3.262 7.697 522 HD2 PHE 74 2HD PHE 74 13.465 -2.029 8.790 523 HE1 PHE 74 1HE PHE 74 9.456 -4.744 9.659 524 HE2 PHE 74 2HE PHE 74 13.387 -3.509 10.753 525 HZ PHE 74 HZ PHE 74 11.381 -4.870 11.190 526 H VAL 75 H VAL 75 10.404 2.029 6.891 527 HA VAL 75 HA VAL 75 10.371 2.250 3.999 528 HB VAL 75 HB VAL 75 10.054 4.650 4.370 529 HG11 VAL 75 1HG1 VAL 75 8.116 3.776 6.326 530 HG12 VAL 75 2HG1 VAL 75 7.877 4.284 4.653 531 HG13 VAL 75 3HG1 VAL 75 8.281 2.606 5.017 532 HG21 VAL 75 1HG2 VAL 75 9.718 5.415 6.757 533 HG22 VAL 75 2HG2 VAL 75 10.507 3.918 7.254 534 HG23 VAL 75 3HG2 VAL 75 11.384 5.095 6.276 535 H THR 76 H THR 76 12.058 2.738 2.749 536 HA THR 76 HA THR 76 14.478 3.842 4.007 537 HB THR 76 HB THR 76 14.442 1.622 1.954 538 HG1 THR 76 1HG THR 76 15.715 0.843 4.080 539 HG21 THR 76 1HG2 THR 76 16.352 3.018 1.576 540 HG22 THR 76 2HG2 THR 76 16.905 1.573 2.423 541 HG23 THR 76 3HG2 THR 76 16.708 3.089 3.301 542 H ASP 77 H ASP 77 15.012 5.700 3.086 543 HA ASP 77 HA ASP 77 13.948 6.405 0.482 544 HB2 ASP 77 1HB ASP 77 14.919 8.634 0.954 545 HB3 ASP 77 2HB ASP 77 13.857 8.078 2.244 546 H ASN 78 H ASN 78 15.051 6.460 -1.382 547 HA ASN 78 HA ASN 78 17.735 5.387 -1.421 548 HB2 ASN 78 1HB ASN 78 15.822 6.200 -3.615 549 HB3 ASN 78 2HB ASN 78 17.439 5.575 -3.925 550 HD21 ASN 78 1HD2 ASN 78 14.241 4.835 -2.809 551 HD22 ASN 78 2HD2 ASN 78 14.409 3.115 -2.835 552 H ALA 79 H ALA 79 17.024 8.183 -0.428 553 HA ALA 79 HA ALA 79 17.747 10.356 -0.654 554 HB1 ALA 79 1HB ALA 79 20.442 9.786 -1.410 555 HB2 ALA 79 2HB ALA 79 19.804 10.251 0.168 556 HB3 ALA 79 3HB ALA 79 19.878 8.548 -0.287 557 H ASP 80 H ASP 80 16.706 9.162 -3.139 558 HA ASP 80 HA ASP 80 18.190 10.821 -5.072 559 HB2 ASP 80 1HB ASP 80 18.189 8.241 -5.368 560 HB3 ASP 80 2HB ASP 80 16.523 8.461 -5.898 561 H GLY 81 H GLY 81 15.120 9.925 -3.720 562 HA2 GLY 81 1HA GLY 81 13.664 12.093 -3.971 563 HA3 GLY 81 2HA GLY 81 13.676 11.586 -5.653 564 H THR 82 H THR 82 13.785 8.728 -4.353 565 HA THR 82 HA THR 82 10.876 8.542 -3.907 566 HB THR 82 HB THR 82 10.930 6.307 -4.924 567 HG1 THR 82 1HG THR 82 12.784 5.371 -5.312 568 HG21 THR 82 1HG2 THR 82 11.058 8.742 -6.243 569 HG22 THR 82 2HG2 THR 82 10.529 7.207 -6.932 570 HG23 THR 82 3HG2 THR 82 12.204 7.726 -7.115 571 H TYR 83 H TYR 83 10.245 6.512 -2.717 572 HA TYR 83 HA TYR 83 12.232 5.907 -0.626 573 HB2 TYR 83 1HB TYR 83 9.241 5.917 -0.223 574 HB3 TYR 83 2HB TYR 83 10.496 5.839 1.009 575 HD1 TYR 83 1HD TYR 83 8.744 8.032 -1.365 576 HD2 TYR 83 2HD TYR 83 11.622 7.830 1.762 577 HE1 TYR 83 1HE TYR 83 8.671 10.480 -1.148 578 HE2 TYR 83 2HE TYR 83 11.556 10.278 1.988 579 HH TYR 83 HH TYR 83 9.283 12.235 0.125 580 H GLN 84 H GLN 84 11.909 3.808 0.461 581 HA GLN 84 HA GLN 84 10.575 1.805 -1.216 582 HB2 GLN 84 1HB GLN 84 13.066 1.974 -1.709 583 HB3 GLN 84 2HB GLN 84 13.333 1.367 -0.081 584 HG2 GLN 84 1HG GLN 84 13.434 -0.578 -1.252 585 HG3 GLN 84 2HG GLN 84 11.712 -0.539 -0.876 586 HE21 GLN 84 1HE2 GLN 84 10.753 -1.454 -2.561 587 HE22 GLN 84 2HE2 GLN 84 10.976 -1.000 -4.212 588 H VAL 85 H VAL 85 9.031 1.106 0.131 589 HA VAL 85 HA VAL 85 9.691 0.630 2.947 590 HB VAL 85 HB VAL 85 7.003 0.642 1.566 591 HG11 VAL 85 1HG1 VAL 85 7.766 0.306 4.461 592 HG12 VAL 85 2HG1 VAL 85 6.131 0.687 3.914 593 HG13 VAL 85 3HG1 VAL 85 6.891 -0.832 3.437 594 HG21 VAL 85 1HG2 VAL 85 7.242 2.860 1.680 595 HG22 VAL 85 2HG2 VAL 85 7.043 2.675 3.423 596 HG23 VAL 85 3HG2 VAL 85 8.660 2.739 2.723 597 H GLU 86 H GLU 86 10.151 -1.353 3.616 598 HA GLU 86 HA GLU 86 9.185 -3.634 2.021 599 HB2 GLU 86 1HB GLU 86 11.627 -3.382 1.953 600 HB3 GLU 86 2HB GLU 86 11.685 -3.438 3.709 601 HG2 GLU 86 1HG GLU 86 10.592 -5.733 3.497 602 HG3 GLU 86 2HG GLU 86 11.024 -5.641 1.791 603 H TYR 87 H TYR 87 8.044 -5.198 3.011 604 HA TYR 87 HA TYR 87 8.077 -5.456 5.902 605 HB2 TYR 87 1HB TYR 87 5.772 -5.047 6.261 606 HB3 TYR 87 2HB TYR 87 6.341 -3.696 5.287 607 HD1 TYR 87 2HD TYR 87 4.474 -6.890 5.153 608 HD2 TYR 87 1HD TYR 87 5.412 -3.251 3.158 609 HE1 TYR 87 2HE TYR 87 2.715 -7.352 3.497 610 HE2 TYR 87 1HE TYR 87 3.655 -3.703 1.497 611 HH TYR 87 HH TYR 87 2.286 -5.331 0.660 612 H THR 88 H THR 88 7.254 -7.432 6.648 613 HA THR 88 HA THR 88 6.676 -9.406 4.535 614 HB THR 88 HB THR 88 8.028 -10.092 7.139 615 HG1 THR 88 1HG THR 88 9.916 -10.188 5.507 616 HG21 THR 88 1HG2 THR 88 8.325 -12.179 6.270 617 HG22 THR 88 2HG2 THR 88 8.436 -11.591 4.610 618 HG23 THR 88 3HG2 THR 88 6.862 -11.736 5.391 619 HA PRO 89 HA PRO 89 2.920 -9.522 7.063 620 HB2 PRO 89 1HB PRO 89 1.421 -10.734 5.151 621 HB3 PRO 89 2HB PRO 89 1.737 -8.995 5.165 622 HG2 PRO 89 1HG PRO 89 3.073 -11.150 3.574 623 HG3 PRO 89 2HG PRO 89 2.549 -9.538 3.055 624 HD2 PRO 89 1HD PRO 89 5.127 -10.108 3.659 625 HD3 PRO 89 2HD PRO 89 4.411 -8.509 3.944 626 H PHE 90 H PHE 90 2.678 -11.052 8.554 627 HA PHE 90 HA PHE 90 3.481 -13.796 7.949 628 HB2 PHE 90 1HB PHE 90 3.028 -14.011 10.513 629 HB3 PHE 90 2HB PHE 90 4.471 -13.171 9.955 630 HD1 PHE 90 1HD PHE 90 1.090 -12.727 11.341 631 HD2 PHE 90 2HD PHE 90 4.785 -10.855 10.360 632 HE1 PHE 90 1HE PHE 90 0.416 -10.734 12.617 633 HE2 PHE 90 2HE PHE 90 4.117 -8.861 11.636 634 HZ PHE 90 HZ PHE 90 1.930 -8.798 12.767 635 H GLU 91 H GLU 91 0.910 -12.454 7.089 636 HA GLU 91 HA GLU 91 -0.837 -14.647 7.890 637 HB2 GLU 91 1HB GLU 91 -1.298 -11.769 8.506 638 HB3 GLU 91 2HB GLU 91 -2.684 -12.736 8.021 639 HG2 GLU 91 1HG GLU 91 -0.858 -13.676 10.193 640 HG3 GLU 91 2HG GLU 91 -2.126 -12.497 10.525 641 H LYS 92 H LYS 92 -1.999 -15.404 6.231 642 HA LYS 92 HA LYS 92 -1.727 -14.117 3.651 643 HB2 LYS 92 1HB LYS 92 -3.040 -16.714 4.469 644 HB3 LYS 92 2HB LYS 92 -2.887 -16.156 2.808 645 HG2 LYS 92 1HG LYS 92 -0.484 -16.269 2.944 646 HG3 LYS 92 2HG LYS 92 -0.570 -16.693 4.655 647 HD2 LYS 92 1HD LYS 92 -1.998 -18.690 3.856 648 HD3 LYS 92 2HD LYS 92 -1.329 -18.334 2.262 649 HE2 LYS 92 1HE LYS 92 0.477 -18.623 4.631 650 HE3 LYS 92 2HE LYS 92 -0.138 -20.053 3.804 651 HZ1 LYS 92 1HZ LYS 92 2.069 -19.199 3.018 652 HZ2 LYS 92 2HZ LYS 92 1.256 -17.858 2.384 653 HZ3 LYS 92 3HZ LYS 92 0.906 -19.410 1.808 654 H GLY 93 H GLY 93 -3.035 -12.378 3.434 655 HA2 GLY 93 1HA GLY 93 -5.764 -12.719 2.909 656 HA3 GLY 93 2HA GLY 93 -5.607 -12.116 4.552 657 H LEU 94 H LEU 94 -6.953 -10.424 3.264 658 HA LEU 94 HA LEU 94 -5.298 -8.561 1.766 659 HB2 LEU 94 1HB LEU 94 -7.401 -8.776 0.808 660 HB3 LEU 94 2HB LEU 94 -8.218 -8.787 2.370 661 HG LEU 94 HG LEU 94 -7.596 -6.343 2.569 662 HD11 LEU 94 1HD1 LEU 94 -6.726 -5.161 0.814 663 HD12 LEU 94 2HD1 LEU 94 -7.286 -6.321 -0.391 664 HD13 LEU 94 3HD1 LEU 94 -5.883 -6.697 0.609 665 HD21 LEU 94 1HD2 LEU 94 -9.619 -7.611 0.896 666 HD22 LEU 94 2HD2 LEU 94 -9.294 -5.936 0.449 667 HD23 LEU 94 3HD2 LEU 94 -9.779 -6.330 2.098 668 H HIS 95 H HIS 95 -4.138 -7.078 2.782 669 HA HIS 95 HA HIS 95 -5.014 -6.147 5.427 670 HB2 HIS 95 1HB HIS 95 -2.323 -5.448 4.368 671 HB3 HIS 95 2HB HIS 95 -2.815 -5.852 6.010 672 HD2 HIS 95 2HD HIS 95 -0.460 -7.332 3.799 673 HE1 HIS 95 1HE HIS 95 -2.646 -10.725 5.106 674 HE2 HIS 95 2HE HIS 95 -0.501 -9.904 4.072 675 H VAL 96 H VAL 96 -4.742 -3.868 5.945 676 HA VAL 96 HA VAL 96 -5.279 -2.171 3.600 677 HB VAL 96 HB VAL 96 -6.052 -1.742 6.489 678 HG11 VAL 96 1HG1 VAL 96 -7.097 -0.098 4.232 679 HG12 VAL 96 2HG1 VAL 96 -6.941 0.306 5.943 680 HG13 VAL 96 3HG1 VAL 96 -5.513 0.277 4.908 681 HG21 VAL 96 1HG2 VAL 96 -7.661 -2.503 4.057 682 HG22 VAL 96 2HG2 VAL 96 -7.400 -3.466 5.512 683 HG23 VAL 96 3HG2 VAL 96 -8.366 -1.993 5.591 684 H VAL 97 H VAL 97 -3.461 -1.180 2.984 685 HA VAL 97 HA VAL 97 -1.517 -0.302 4.973 686 HB VAL 97 HB VAL 97 -1.409 -0.260 1.954 687 HG11 VAL 97 1HG1 VAL 97 0.207 1.086 3.947 688 HG12 VAL 97 2HG1 VAL 97 1.167 0.000 2.940 689 HG13 VAL 97 3HG1 VAL 97 0.194 1.268 2.194 690 HG21 VAL 97 1HG2 VAL 97 0.478 -1.881 3.530 691 HG22 VAL 97 2HG2 VAL 97 -1.200 -2.421 3.561 692 HG23 VAL 97 3HG2 VAL 97 -0.356 -2.254 2.021 693 H GLU 98 H GLU 98 -1.716 1.647 5.841 694 HA GLU 98 HA GLU 98 -3.070 3.759 4.319 695 HB2 GLU 98 1HB GLU 98 -2.613 3.287 7.246 696 HB3 GLU 98 2HB GLU 98 -2.965 4.905 6.658 697 HG2 GLU 98 1HG GLU 98 -5.109 4.362 6.032 698 HG3 GLU 98 2HG GLU 98 -4.742 2.645 5.877 699 H VAL 99 H VAL 99 -1.794 5.108 3.253 700 HA VAL 99 HA VAL 99 0.895 5.662 4.309 701 HB VAL 99 HB VAL 99 -0.131 6.175 1.516 702 HG11 VAL 99 1HG1 VAL 99 2.627 6.270 2.727 703 HG12 VAL 99 2HG1 VAL 99 2.297 6.349 0.996 704 HG13 VAL 99 3HG1 VAL 99 1.704 7.619 2.066 705 HG21 VAL 99 1HG2 VAL 99 1.155 3.792 2.760 706 HG22 VAL 99 2HG2 VAL 99 -0.119 3.879 1.543 707 HG23 VAL 99 3HG2 VAL 99 1.554 4.204 1.092 708 H THR 100 H THR 100 1.525 7.696 4.807 709 HA THR 100 HA THR 100 -0.257 9.929 4.145 710 HB THR 100 HB THR 100 0.131 10.824 6.492 711 HG1 THR 100 1HG THR 100 0.395 8.851 7.967 712 HG21 THR 100 1HG2 THR 100 -2.013 10.223 6.616 713 HG22 THR 100 2HG2 THR 100 -1.484 8.674 7.271 714 HG23 THR 100 3HG2 THR 100 -1.745 8.855 5.536 715 H TYR 101 H TYR 101 0.876 11.494 3.220 716 HA TYR 101 HA TYR 101 3.756 11.675 3.788 717 HB2 TYR 101 1HB TYR 101 2.978 11.258 1.413 718 HB3 TYR 101 2HB TYR 101 2.298 12.881 1.434 719 HD1 TYR 101 1HD TYR 101 3.982 14.784 2.117 720 HD2 TYR 101 2HD TYR 101 5.141 10.964 0.647 721 HE1 TYR 101 1HE TYR 101 6.160 15.710 1.447 722 HE2 TYR 101 2HE TYR 101 7.322 11.878 -0.027 723 HH TYR 101 HH TYR 101 8.734 14.208 0.990 724 H ASP 102 H ASP 102 4.232 13.185 5.233 725 HA ASP 102 HA ASP 102 4.325 15.172 6.336 726 HB2 ASP 102 1HB ASP 102 3.262 16.039 3.663 727 HB3 ASP 102 2HB ASP 102 3.432 17.201 4.976 728 H ASP 103 H ASP 103 2.276 13.548 7.088 729 HA ASP 103 HA ASP 103 0.337 13.532 8.276 730 HB2 ASP 103 1HB ASP 103 1.126 16.408 8.343 731 HB3 ASP 103 2HB ASP 103 -0.492 15.979 8.892 732 H VAL 104 H VAL 104 0.271 13.570 5.376 733 HA VAL 104 HA VAL 104 -2.528 14.339 5.055 734 HB VAL 104 HB VAL 104 -0.404 15.185 3.079 735 HG11 VAL 104 1HG1 VAL 104 -3.351 15.815 3.089 736 HG12 VAL 104 2HG1 VAL 104 -2.171 16.216 1.839 737 HG13 VAL 104 3HG1 VAL 104 -2.617 14.534 2.124 738 HG21 VAL 104 1HG2 VAL 104 -2.088 16.860 4.940 739 HG22 VAL 104 2HG2 VAL 104 -0.361 16.546 5.114 740 HG23 VAL 104 3HG2 VAL 104 -0.954 17.470 3.734 741 HA PRO 105 HA PRO 105 -2.304 10.251 3.265 742 HB2 PRO 105 1HB PRO 105 -4.976 10.005 2.855 743 HB3 PRO 105 2HB PRO 105 -4.224 9.792 4.440 744 HG2 PRO 105 1HG PRO 105 -5.637 12.181 3.320 745 HG3 PRO 105 2HG PRO 105 -5.754 11.470 4.940 746 HD2 PRO 105 1HD PRO 105 -4.257 13.665 4.417 747 HD3 PRO 105 2HD PRO 105 -3.811 12.478 5.660 748 H ILE 106 H ILE 106 -2.540 9.352 1.205 749 HA ILE 106 HA ILE 106 -2.832 11.316 -0.938 750 HB ILE 106 HB ILE 106 -1.987 9.360 -2.365 751 HG12 ILE 106 1HG1 ILE 106 -1.187 8.306 0.354 752 HG13 ILE 106 2HG1 ILE 106 -2.492 7.636 -0.618 753 HG21 ILE 106 1HG2 ILE 106 -0.428 10.865 -0.315 754 HG22 ILE 106 2HG2 ILE 106 0.390 9.681 -1.334 755 HG23 ILE 106 3HG2 ILE 106 -0.449 11.047 -2.069 756 HD11 ILE 106 1HD1 ILE 106 -0.637 7.414 -2.434 757 HD12 ILE 106 2HD1 ILE 106 0.449 7.509 -1.047 758 HD13 ILE 106 3HD1 ILE 106 -0.761 6.230 -1.133 759 HA PRO 107 HA PRO 107 -6.720 9.864 -2.368 760 HB2 PRO 107 1HB PRO 107 -6.448 10.160 -5.053 761 HB3 PRO 107 2HB PRO 107 -6.629 11.529 -3.949 762 HG2 PRO 107 1HG PRO 107 -4.142 10.404 -5.180 763 HG3 PRO 107 2HG PRO 107 -4.622 12.099 -4.977 764 HD2 PRO 107 1HD PRO 107 -2.864 10.874 -3.322 765 HD3 PRO 107 2HD PRO 107 -3.966 12.151 -2.768 766 H ASN 108 H ASN 108 -3.972 8.094 -2.714 767 HA ASN 108 HA ASN 108 -5.241 6.004 -4.341 768 HB2 ASN 108 1HB ASN 108 -2.361 6.089 -3.437 769 HB3 ASN 108 2HB ASN 108 -3.063 5.094 -4.710 770 HD21 ASN 108 1HD2 ASN 108 -4.297 6.549 -6.379 771 HD22 ASN 108 2HD2 ASN 108 -3.368 7.874 -6.984 772 H SER 109 H SER 109 -4.513 6.853 -1.144 773 HA SER 109 HA SER 109 -4.687 4.057 -0.246 774 HB2 SER 109 1HB SER 109 -3.372 6.487 0.844 775 HB3 SER 109 2HB SER 109 -4.070 5.372 2.019 776 HG SER 109 HG SER 109 -1.757 5.116 1.033 777 HA PRO 110 HA PRO 110 -4.758 3.520 2.194 778 HB2 PRO 110 1HB PRO 110 -6.423 1.538 3.012 779 HB3 PRO 110 2HB PRO 110 -6.098 2.980 3.981 780 HG2 PRO 110 1HG PRO 110 -8.436 2.374 2.213 781 HG3 PRO 110 2HG PRO 110 -8.414 3.110 3.826 782 HD2 PRO 110 1HD PRO 110 -8.668 4.572 1.561 783 HD3 PRO 110 2HD PRO 110 -7.844 5.188 3.008 784 H PHE 111 H PHE 111 -3.937 1.509 1.476 785 HA PHE 111 HA PHE 111 -4.917 0.740 -1.170 786 HB2 PHE 111 1HB PHE 111 -2.303 0.333 0.267 787 HB3 PHE 111 2HB PHE 111 -2.699 -0.565 -1.194 788 HD1 PHE 111 1HD PHE 111 -3.423 0.866 -3.242 789 HD2 PHE 111 2HD PHE 111 -1.258 2.379 0.095 790 HE1 PHE 111 1HE PHE 111 -2.630 2.747 -4.615 791 HE2 PHE 111 2HE PHE 111 -0.462 4.264 -1.272 792 HZ PHE 111 HZ PHE 111 -1.148 4.450 -3.630 793 H LYS 112 H LYS 112 -4.727 -1.630 -1.720 794 HA LYS 112 HA LYS 112 -5.473 -3.328 0.562 795 HB2 LYS 112 1HB LYS 112 -6.965 -2.821 -1.967 796 HB3 LYS 112 2HB LYS 112 -6.992 -4.453 -1.313 797 HG2 LYS 112 1HG LYS 112 -8.221 -3.856 0.510 798 HG3 LYS 112 2HG LYS 112 -7.593 -2.207 0.532 799 HD2 LYS 112 1HD LYS 112 -9.808 -1.947 -0.155 800 HD3 LYS 112 2HD LYS 112 -8.896 -1.902 -1.665 801 HE2 LYS 112 1HE LYS 112 -9.348 -4.454 -1.720 802 HE3 LYS 112 2HE LYS 112 -10.618 -4.086 -0.555 803 HZ1 LYS 112 1HZ LYS 112 -10.569 -2.400 -2.910 804 HZ2 LYS 112 2HZ LYS 112 -11.881 -3.107 -2.112 805 HZ3 LYS 112 3HZ LYS 112 -10.960 -4.020 -3.198 806 H VAL 113 H VAL 113 -3.881 -4.766 0.730 807 HA VAL 113 HA VAL 113 -2.677 -5.853 -1.720 808 HB VAL 113 HB VAL 113 -1.668 -5.908 1.127 809 HG11 VAL 113 1HG1 VAL 113 0.265 -6.593 -0.903 810 HG12 VAL 113 2HG1 VAL 113 -0.188 -7.470 0.559 811 HG13 VAL 113 3HG1 VAL 113 -1.105 -7.702 -0.930 812 HG21 VAL 113 1HG2 VAL 113 0.200 -4.541 -0.012 813 HG22 VAL 113 2HG2 VAL 113 -0.987 -4.265 -1.287 814 HG23 VAL 113 3HG2 VAL 113 -1.325 -3.736 0.361 815 H ALA 114 H ALA 114 -3.917 -7.544 -2.338 816 HA ALA 114 HA ALA 114 -4.972 -9.419 -0.403 817 HB1 ALA 114 1HB ALA 114 -5.738 -10.602 -2.552 818 HB2 ALA 114 2HB ALA 114 -6.452 -9.037 -2.161 819 HB3 ALA 114 3HB ALA 114 -5.182 -9.148 -3.380 820 H VAL 115 H VAL 115 -3.272 -10.503 0.524 821 HA VAL 115 HA VAL 115 -1.110 -11.599 -0.983 822 HB VAL 115 HB VAL 115 -2.032 -12.133 1.842 823 HG11 VAL 115 1HG1 VAL 115 -0.863 -14.073 1.336 824 HG12 VAL 115 2HG1 VAL 115 0.269 -13.233 0.273 825 HG13 VAL 115 3HG1 VAL 115 0.385 -13.033 2.022 826 HG21 VAL 115 1HG2 VAL 115 -0.217 -10.189 0.561 827 HG22 VAL 115 2HG2 VAL 115 -1.186 -10.042 2.027 828 HG23 VAL 115 3HG2 VAL 115 0.349 -10.910 2.068 829 H THR 116 H THR 116 -0.743 -13.684 -1.643 830 HA THR 116 HA THR 116 -2.970 -15.588 -1.343 831 HB THR 116 HB THR 116 -3.046 -14.663 -3.607 832 HG1 THR 116 1HG THR 116 -2.010 -17.320 -3.614 833 HG21 THR 116 1HG2 THR 116 -1.197 -15.067 -5.177 834 HG22 THR 116 2HG2 THR 116 -0.226 -15.717 -3.856 835 HG23 THR 116 3HG2 THR 116 -0.705 -14.020 -3.847 836 H GLU 117 H GLU 117 -2.431 -17.710 -1.016 837 HA GLU 117 HA GLU 117 -0.105 -18.391 0.256 838 HB2 GLU 117 1HB GLU 117 -1.965 -20.115 -1.379 839 HB3 GLU 117 2HB GLU 117 -0.653 -20.774 -0.412 840 HG2 GLU 117 1HG GLU 117 -1.672 -20.263 1.577 841 HG3 GLU 117 2HG GLU 117 -2.627 -18.957 0.877 842 H GLY 118 H GLY 118 1.903 -18.111 -0.477 843 HA2 GLY 118 1HA GLY 118 2.485 -18.855 -3.273 844 HA3 GLY 118 2HA GLY 118 3.401 -17.682 -2.339 845 H CYS 119 H CYS 119 4.800 -18.436 -0.666 846 HA CYS 119 HA CYS 119 5.318 -21.297 -0.545 847 HB2 CYS 119 1HB CYS 119 7.398 -19.293 -1.445 848 HB3 CYS 119 2HB CYS 119 7.746 -20.959 -0.998 849 HG CYS 119 HG CYS 119 6.394 -22.110 -3.099 850 H GLN 120 H GLN 120 6.451 -21.947 1.298 851 HA GLN 120 HA GLN 120 6.674 -19.865 3.365 852 HB2 GLN 120 1HB GLN 120 5.020 -21.588 3.868 853 HB3 GLN 120 2HB GLN 120 6.234 -22.842 3.651 854 HG2 GLN 120 1HG GLN 120 7.492 -21.908 5.555 855 HG3 GLN 120 2HG GLN 120 6.201 -20.732 5.796 856 HE21 GLN 120 1HE2 GLN 120 6.299 -21.816 7.956 857 HE22 GLN 120 2HE2 GLN 120 5.289 -23.197 8.193 858 HA PRO 121 HA PRO 121 11.048 -20.491 3.345 859 HB2 PRO 121 1HB PRO 121 11.600 -19.228 5.683 860 HB3 PRO 121 2HB PRO 121 11.193 -18.363 4.197 861 HG2 PRO 121 1HG PRO 121 9.449 -19.039 6.534 862 HG3 PRO 121 2HG PRO 121 9.552 -17.525 5.617 863 HD2 PRO 121 1HD PRO 121 7.586 -19.342 5.213 864 HD3 PRO 121 2HD PRO 121 8.228 -18.323 3.908 865 H SER 122 H SER 122 12.717 -20.978 5.304 866 HA SER 122 HA SER 122 11.677 -22.989 7.121 867 HB2 SER 122 1HB SER 122 13.179 -24.755 6.335 868 HB3 SER 122 2HB SER 122 12.095 -24.253 5.038 869 HG SER 122 HG SER 122 14.061 -22.720 4.653 870 H SER 123 H SER 123 13.506 -23.909 8.485 871 HA SER 123 HA SER 123 15.231 -21.682 9.261 872 HB2 SER 123 1HB SER 123 14.538 -24.261 10.686 873 HB3 SER 123 2HB SER 123 15.598 -23.012 11.338 874 HG SER 123 HG SER 123 13.449 -21.746 10.628 875 H GLY 124 H GLY 124 17.463 -22.205 10.003 876 HA2 GLY 124 1HA GLY 124 18.680 -24.528 8.719 877 HA3 GLY 124 2HA GLY 124 19.194 -22.950 8.141 878 HA PRO 125 HA PRO 125 22.104 -24.084 11.508 879 HB2 PRO 125 1HB PRO 125 24.268 -22.980 10.296 880 HB3 PRO 125 2HB PRO 125 23.706 -24.620 9.950 881 HG2 PRO 125 1HG PRO 125 23.242 -22.095 8.411 882 HG3 PRO 125 2HG PRO 125 23.649 -23.712 7.810 883 HD2 PRO 125 1HD PRO 125 21.124 -22.734 7.764 884 HD3 PRO 125 2HD PRO 125 21.475 -24.460 7.982 885 H SER 126 H SER 126 23.401 -22.701 12.892 886 HA SER 126 HA SER 126 22.169 -20.411 13.745 887 HB2 SER 126 1HB SER 126 24.166 -19.920 15.018 888 HB3 SER 126 2HB SER 126 23.945 -21.669 14.982 889 HG SER 126 HG SER 126 25.397 -21.244 12.925 890 H SER 127 H SER 127 21.643 -18.780 12.416 891 HA SER 127 HA SER 127 23.814 -17.228 11.251 892 HB2 SER 127 1HB SER 127 21.488 -18.284 9.629 893 HB3 SER 127 2HB SER 127 22.596 -17.030 9.075 894 HG SER 127 HG SER 127 23.306 -19.013 8.313 895 H GLY 128 H GLY 128 23.377 -15.047 11.078 896 HA2 GLY 128 1HA GLY 128 21.468 -13.389 10.858 897 HA3 GLY 128 2HA GLY 128 20.812 -14.202 12.271 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.416 -6.012 31.633 2 HA2 GLY 1 1HA GLY 1 5.211 -4.902 31.258 3 HA3 GLY 1 2HA GLY 1 6.478 -4.225 30.245 4 H SER 2 H SER 2 3.486 -4.577 29.930 5 HA SER 2 HA SER 2 2.990 -6.465 27.900 6 HB2 SER 2 1HB SER 2 0.877 -5.439 27.652 7 HB3 SER 2 2HB SER 2 1.295 -5.181 29.345 8 HG SER 2 HG SER 2 0.491 -3.299 28.154 9 H SER 3 H SER 3 2.045 -5.578 25.698 10 HA SER 3 HA SER 3 4.200 -3.981 24.491 11 HB2 SER 3 1HB SER 3 3.689 -6.408 23.735 12 HB3 SER 3 2HB SER 3 2.285 -5.703 22.934 13 HG SER 3 HG SER 3 3.765 -5.495 21.405 14 H GLY 4 H GLY 4 3.686 -2.402 22.905 15 HA2 GLY 4 1HA GLY 4 2.258 -0.954 21.732 16 HA3 GLY 4 2HA GLY 4 0.890 -1.637 22.598 17 H SER 5 H SER 5 2.596 1.104 22.200 18 HA SER 5 HA SER 5 2.654 1.988 24.955 19 HB2 SER 5 1HB SER 5 4.262 2.662 22.997 20 HB3 SER 5 2HB SER 5 3.002 3.836 22.618 21 HG SER 5 HG SER 5 4.670 3.666 24.861 22 H SER 6 H SER 6 1.248 3.365 25.935 23 HA SER 6 HA SER 6 -0.915 4.557 24.382 24 HB2 SER 6 1HB SER 6 -2.628 3.686 25.953 25 HB3 SER 6 2HB SER 6 -1.835 2.399 25.045 26 HG SER 6 HG SER 6 -0.993 3.193 27.628 27 H GLY 7 H GLY 7 -2.090 6.207 25.547 28 HA2 GLY 7 1HA GLY 7 -1.660 7.058 28.135 29 HA3 GLY 7 2HA GLY 7 -0.368 7.783 27.189 30 H HIS 8 H HIS 8 -1.530 9.742 28.077 31 HA HIS 8 HA HIS 8 -4.073 10.495 27.154 32 HB2 HIS 8 1HB HIS 8 -2.891 11.609 29.021 33 HB3 HIS 8 2HB HIS 8 -1.745 12.291 27.870 34 HD1 HIS 8 1HD HIS 8 -5.520 12.173 27.523 35 HD2 HIS 8 2HD HIS 8 -2.437 14.924 27.955 36 HE1 HIS 8 1HE HIS 8 -6.592 14.432 27.255 37 H PHE 9 H PHE 9 -4.306 10.082 24.969 38 HA PHE 9 HA PHE 9 -2.540 11.526 23.126 39 HB2 PHE 9 1HB PHE 9 -3.191 8.984 22.943 40 HB3 PHE 9 2HB PHE 9 -4.658 9.621 22.207 41 HD1 PHE 9 1HD PHE 9 -4.459 11.067 20.163 42 HD2 PHE 9 2HD PHE 9 -1.190 8.839 21.732 43 HE1 PHE 9 1HE PHE 9 -3.294 11.263 18.005 44 HE2 PHE 9 2HE PHE 9 -0.019 9.032 19.578 45 HZ PHE 9 HZ PHE 9 -1.070 10.246 17.710 46 HA PRO 10 HA PRO 10 -6.007 14.441 23.059 47 HB2 PRO 10 1HB PRO 10 -4.551 16.469 21.992 48 HB3 PRO 10 2HB PRO 10 -4.531 16.074 23.715 49 HG2 PRO 10 1HG PRO 10 -2.565 15.339 21.581 50 HG3 PRO 10 2HG PRO 10 -2.262 15.905 23.234 51 HD2 PRO 10 1HD PRO 10 -2.107 13.293 22.536 52 HD3 PRO 10 2HD PRO 10 -2.630 13.821 24.148 53 H ALA 11 H ALA 11 -7.074 15.601 21.319 54 HA ALA 11 HA ALA 11 -6.324 14.692 18.623 55 HB1 ALA 11 1HB ALA 11 -9.139 14.869 18.710 56 HB2 ALA 11 2HB ALA 11 -8.143 13.432 18.474 57 HB3 ALA 11 3HB ALA 11 -8.635 13.906 20.100 58 H ARG 12 H ARG 12 -6.049 16.362 17.310 59 HA ARG 12 HA ARG 12 -7.112 18.968 18.034 60 HB2 ARG 12 1HB ARG 12 -5.112 17.999 16.012 61 HB3 ARG 12 2HB ARG 12 -5.774 19.625 15.911 62 HG2 ARG 12 1HG ARG 12 -4.608 18.689 18.487 63 HG3 ARG 12 2HG ARG 12 -3.536 19.174 17.171 64 HD2 ARG 12 1HD ARG 12 -5.801 20.959 17.925 65 HD3 ARG 12 2HD ARG 12 -4.371 20.915 18.957 66 HE ARG 12 HE ARG 12 -3.553 21.248 16.297 67 HH11 ARG 12 1HH1 ARG 12 -5.230 22.979 18.809 68 HH12 ARG 12 2HH1 ARG 12 -4.750 24.541 18.234 69 HH21 ARG 12 1HH2 ARG 12 -2.913 23.299 15.530 70 HH22 ARG 12 2HH2 ARG 12 -3.432 24.722 16.368 71 H VAL 13 H VAL 13 -7.892 20.352 16.118 72 HA VAL 13 HA VAL 13 -10.101 18.913 14.883 73 HB VAL 13 HB VAL 13 -10.655 20.997 15.976 74 HG11 VAL 13 1HG1 VAL 13 -9.570 22.975 14.305 75 HG12 VAL 13 2HG1 VAL 13 -9.187 22.665 16.000 76 HG13 VAL 13 3HG1 VAL 13 -8.237 21.901 14.725 77 HG21 VAL 13 1HG2 VAL 13 -11.412 22.279 13.768 78 HG22 VAL 13 2HG2 VAL 13 -10.951 20.742 13.037 79 HG23 VAL 13 3HG2 VAL 13 -12.180 20.783 14.301 80 H LYS 14 H LYS 14 -10.235 18.406 12.787 81 HA LYS 14 HA LYS 14 -8.247 18.105 11.047 82 HB2 LYS 14 1HB LYS 14 -9.819 18.182 9.221 83 HB3 LYS 14 2HB LYS 14 -10.621 17.487 10.623 84 HG2 LYS 14 1HG LYS 14 -10.877 20.411 10.187 85 HG3 LYS 14 2HG LYS 14 -11.770 19.326 9.118 86 HD2 LYS 14 1HD LYS 14 -11.873 19.096 12.117 87 HD3 LYS 14 2HD LYS 14 -12.983 20.121 11.204 88 HE2 LYS 14 1HE LYS 14 -13.973 18.300 10.135 89 HE3 LYS 14 2HE LYS 14 -12.619 17.231 10.498 90 HZ1 LYS 14 1HZ LYS 14 -13.977 18.312 12.812 91 HZ2 LYS 14 2HZ LYS 14 -13.444 16.736 12.507 92 HZ3 LYS 14 3HZ LYS 14 -14.916 17.270 11.867 93 H VAL 15 H VAL 15 -7.121 19.244 9.488 94 HA VAL 15 HA VAL 15 -7.586 22.125 9.273 95 HB VAL 15 HB VAL 15 -5.890 21.839 11.042 96 HG11 VAL 15 1HG1 VAL 15 -3.918 20.854 9.039 97 HG12 VAL 15 2HG1 VAL 15 -3.930 20.676 10.795 98 HG13 VAL 15 3HG1 VAL 15 -5.006 19.694 9.800 99 HG21 VAL 15 1HG2 VAL 15 -4.051 23.185 9.811 100 HG22 VAL 15 2HG2 VAL 15 -5.156 23.121 8.438 101 HG23 VAL 15 3HG2 VAL 15 -5.670 23.873 9.948 102 H GLU 16 H GLU 16 -6.966 23.026 7.330 103 HA GLU 16 HA GLU 16 -7.007 21.482 5.050 104 HB2 GLU 16 1HB GLU 16 -5.996 24.249 5.607 105 HB3 GLU 16 2HB GLU 16 -5.794 23.546 4.008 106 HG2 GLU 16 1HG GLU 16 -8.436 23.821 5.421 107 HG3 GLU 16 2HG GLU 16 -7.806 24.970 4.242 108 HA PRO 17 HA PRO 17 -3.037 19.596 4.776 109 HB2 PRO 17 1HB PRO 17 -3.002 19.087 2.109 110 HB3 PRO 17 2HB PRO 17 -3.992 18.169 3.249 111 HG2 PRO 17 1HG PRO 17 -4.782 20.420 1.442 112 HG3 PRO 17 2HG PRO 17 -5.640 18.907 1.785 113 HD2 PRO 17 1HD PRO 17 -6.309 21.258 2.951 114 HD3 PRO 17 2HD PRO 17 -6.495 19.697 3.775 115 H ALA 18 H ALA 18 -1.090 20.512 4.775 116 HA ALA 18 HA ALA 18 -0.643 22.946 3.233 117 HB1 ALA 18 1HB ALA 18 1.192 21.651 5.242 118 HB2 ALA 18 2HB ALA 18 1.283 23.296 4.610 119 HB3 ALA 18 3HB ALA 18 -0.059 22.824 5.653 120 H VAL 19 H VAL 19 -0.636 20.033 2.214 121 HA VAL 19 HA VAL 19 1.741 20.370 0.549 122 HB VAL 19 HB VAL 19 2.314 18.836 2.473 123 HG11 VAL 19 1HG1 VAL 19 0.944 17.174 3.007 124 HG12 VAL 19 2HG1 VAL 19 -0.121 17.614 1.671 125 HG13 VAL 19 3HG1 VAL 19 1.185 16.457 1.415 126 HG21 VAL 19 1HG2 VAL 19 3.723 17.594 1.156 127 HG22 VAL 19 2HG2 VAL 19 2.483 17.266 -0.055 128 HG23 VAL 19 3HG2 VAL 19 3.250 18.853 0.015 129 H ASP 20 H ASP 20 1.689 19.076 -1.405 130 HA ASP 20 HA ASP 20 -0.982 18.891 -2.469 131 HB2 ASP 20 1HB ASP 20 0.999 19.771 -3.754 132 HB3 ASP 20 2HB ASP 20 1.609 18.120 -3.822 133 H THR 21 H THR 21 1.730 16.572 -2.521 134 HA THR 21 HA THR 21 1.671 14.280 -2.786 135 HB THR 21 HB THR 21 0.525 13.164 -0.828 136 HG1 THR 21 1HG THR 21 -1.057 14.953 -0.634 137 HG21 THR 21 1HG2 THR 21 2.689 13.514 -0.248 138 HG22 THR 21 2HG2 THR 21 1.974 14.698 0.846 139 HG23 THR 21 3HG2 THR 21 2.646 15.218 -0.699 140 H SER 22 H SER 22 -0.250 15.525 -4.469 141 HA SER 22 HA SER 22 -2.534 13.679 -4.324 142 HB2 SER 22 1HB SER 22 -2.180 16.440 -5.370 143 HB3 SER 22 2HB SER 22 -3.294 15.390 -6.246 144 HG SER 22 HG SER 22 -3.382 15.955 -3.464 145 H ARG 23 H ARG 23 0.381 14.161 -5.904 146 HA ARG 23 HA ARG 23 -0.503 12.526 -8.191 147 HB2 ARG 23 1HB ARG 23 1.771 14.517 -8.123 148 HB3 ARG 23 2HB ARG 23 1.295 13.543 -9.507 149 HG2 ARG 23 1HG ARG 23 -0.565 14.805 -9.934 150 HG3 ARG 23 2HG ARG 23 -0.729 15.327 -8.257 151 HD2 ARG 23 1HD ARG 23 1.546 16.532 -8.727 152 HD3 ARG 23 2HD ARG 23 1.049 16.377 -10.412 153 HE ARG 23 HE ARG 23 -1.087 17.449 -8.963 154 HH11 ARG 23 1HH1 ARG 23 2.130 18.319 -9.970 155 HH12 ARG 23 2HH1 ARG 23 1.796 20.018 -10.021 156 HH21 ARG 23 1HH2 ARG 23 -1.540 19.684 -9.027 157 HH22 ARG 23 2HH2 ARG 23 -0.292 20.794 -9.484 158 H ILE 24 H ILE 24 0.343 11.533 -5.629 159 HA ILE 24 HA ILE 24 3.054 10.563 -6.001 160 HB ILE 24 HB ILE 24 1.024 10.209 -3.809 161 HG12 ILE 24 1HG1 ILE 24 3.788 11.438 -3.914 162 HG13 ILE 24 2HG1 ILE 24 2.263 12.313 -3.829 163 HG21 ILE 24 1HG2 ILE 24 3.405 9.114 -2.898 164 HG22 ILE 24 2HG2 ILE 24 1.931 8.239 -3.310 165 HG23 ILE 24 3HG2 ILE 24 3.202 8.442 -4.516 166 HD11 ILE 24 1HD1 ILE 24 2.510 10.413 -1.672 167 HD12 ILE 24 2HD1 ILE 24 3.862 11.546 -1.708 168 HD13 ILE 24 3HD1 ILE 24 2.207 12.150 -1.622 169 H LYS 25 H LYS 25 3.544 8.747 -7.024 170 HA LYS 25 HA LYS 25 1.415 6.762 -7.466 171 HB2 LYS 25 1HB LYS 25 3.785 7.603 -9.101 172 HB3 LYS 25 2HB LYS 25 3.089 6.002 -9.319 173 HG2 LYS 25 1HG LYS 25 1.047 6.867 -10.072 174 HG3 LYS 25 2HG LYS 25 1.415 8.485 -9.469 175 HD2 LYS 25 1HD LYS 25 3.362 8.463 -11.128 176 HD3 LYS 25 2HD LYS 25 2.567 7.065 -11.854 177 HE2 LYS 25 1HE LYS 25 0.760 8.301 -12.577 178 HE3 LYS 25 2HE LYS 25 0.989 9.547 -11.351 179 HZ1 LYS 25 1HZ LYS 25 2.295 10.711 -12.702 180 HZ2 LYS 25 2HZ LYS 25 1.753 9.714 -13.955 181 HZ3 LYS 25 3HZ LYS 25 3.202 9.358 -13.158 182 H VAL 26 H VAL 26 1.855 4.561 -7.192 183 HA VAL 26 HA VAL 26 4.388 3.893 -5.857 184 HB VAL 26 HB VAL 26 3.230 2.488 -4.242 185 HG11 VAL 26 1HG1 VAL 26 3.498 5.141 -4.081 186 HG12 VAL 26 2HG1 VAL 26 1.744 5.028 -3.930 187 HG13 VAL 26 3HG1 VAL 26 2.785 4.173 -2.791 188 HG21 VAL 26 1HG2 VAL 26 0.711 2.787 -4.042 189 HG22 VAL 26 2HG2 VAL 26 0.765 3.432 -5.682 190 HG23 VAL 26 3HG2 VAL 26 1.288 1.778 -5.368 191 H PHE 27 H PHE 27 5.379 2.318 -6.913 192 HA PHE 27 HA PHE 27 3.738 0.301 -8.301 193 HB2 PHE 27 1HB PHE 27 5.723 0.111 -9.887 194 HB3 PHE 27 2HB PHE 27 4.756 1.576 -10.019 195 HD1 PHE 27 2HD PHE 27 7.972 0.174 -8.997 196 HD2 PHE 27 1HD PHE 27 5.643 3.719 -9.355 197 HE1 PHE 27 2HE PHE 27 9.999 1.533 -8.684 198 HE2 PHE 27 1HE PHE 27 7.667 5.083 -9.044 199 HZ PHE 27 HZ PHE 27 9.848 3.991 -8.706 200 H GLY 28 H GLY 28 4.254 -1.817 -8.016 201 HA2 GLY 28 1HA GLY 28 6.314 -3.289 -7.529 202 HA3 GLY 28 2HA GLY 28 6.362 -2.366 -6.034 203 HA PRO 29 HA PRO 29 3.546 -6.187 -5.763 204 HB2 PRO 29 1HB PRO 29 5.156 -7.737 -4.222 205 HB3 PRO 29 2HB PRO 29 5.185 -7.782 -5.989 206 HG2 PRO 29 1HG PRO 29 7.017 -6.355 -4.100 207 HG3 PRO 29 2HG PRO 29 7.414 -7.279 -5.560 208 HD2 PRO 29 1HD PRO 29 7.307 -4.574 -5.533 209 HD3 PRO 29 2HD PRO 29 6.878 -5.533 -6.965 210 H GLY 30 H GLY 30 5.769 -4.796 -3.357 211 HA2 GLY 30 1HA GLY 30 4.433 -5.446 -1.029 212 HA3 GLY 30 2HA GLY 30 5.376 -3.978 -1.246 213 H ILE 31 H ILE 31 3.361 -3.380 -3.529 214 HA ILE 31 HA ILE 31 1.206 -2.386 -1.781 215 HB ILE 31 HB ILE 31 2.897 -0.660 -2.697 216 HG12 ILE 31 1HG1 ILE 31 0.998 0.963 -3.153 217 HG13 ILE 31 2HG1 ILE 31 -0.097 -0.408 -3.007 218 HG21 ILE 31 1HG2 ILE 31 2.843 -1.609 -5.007 219 HG22 ILE 31 2HG2 ILE 31 1.203 -0.981 -5.166 220 HG23 ILE 31 3HG2 ILE 31 2.552 0.129 -4.925 221 HD11 ILE 31 1HD1 ILE 31 -0.001 0.834 -0.938 222 HD12 ILE 31 2HD1 ILE 31 0.692 -0.773 -0.718 223 HD13 ILE 31 3HD1 ILE 31 1.749 0.630 -0.871 224 H GLU 32 H GLU 32 2.101 -3.950 -4.716 225 HA GLU 32 HA GLU 32 -0.539 -3.717 -5.898 226 HB2 GLU 32 1HB GLU 32 1.989 -5.121 -6.757 227 HB3 GLU 32 2HB GLU 32 0.476 -5.266 -7.641 228 HG2 GLU 32 1HG GLU 32 1.494 -2.543 -7.041 229 HG3 GLU 32 2HG GLU 32 2.302 -3.485 -8.293 230 H GLY 33 H GLY 33 1.550 -6.366 -4.736 231 HA2 GLY 33 1HA GLY 33 0.602 -8.038 -3.246 232 HA3 GLY 33 2HA GLY 33 -0.910 -7.880 -4.129 233 H LYS 34 H LYS 34 2.452 -8.347 -5.203 234 HA LYS 34 HA LYS 34 1.520 -10.581 -6.861 235 HB2 LYS 34 1HB LYS 34 4.268 -9.412 -7.067 236 HB3 LYS 34 2HB LYS 34 3.282 -10.162 -8.315 237 HG2 LYS 34 1HG LYS 34 1.755 -8.031 -7.778 238 HG3 LYS 34 2HG LYS 34 3.337 -7.371 -7.359 239 HD2 LYS 34 1HD LYS 34 4.155 -7.623 -9.517 240 HD3 LYS 34 2HD LYS 34 2.952 -8.844 -9.936 241 HE2 LYS 34 1HE LYS 34 2.335 -6.866 -11.085 242 HE3 LYS 34 2HE LYS 34 1.212 -7.034 -9.737 243 HZ1 LYS 34 1HZ LYS 34 1.872 -4.793 -9.774 244 HZ2 LYS 34 2HZ LYS 34 3.507 -5.178 -9.967 245 HZ3 LYS 34 3HZ LYS 34 2.734 -5.487 -8.494 246 H ASP 35 H ASP 35 4.585 -9.822 -5.204 247 HA ASP 35 HA ASP 35 4.744 -12.648 -4.402 248 HB2 ASP 35 1HB ASP 35 6.875 -10.554 -4.826 249 HB3 ASP 35 2HB ASP 35 7.200 -12.091 -4.030 250 H VAL 36 H VAL 36 3.191 -10.581 -3.013 251 HA VAL 36 HA VAL 36 4.670 -10.027 -0.581 252 HB VAL 36 HB VAL 36 1.748 -9.525 -1.161 253 HG11 VAL 36 1HG1 VAL 36 3.453 -9.114 1.156 254 HG12 VAL 36 2HG1 VAL 36 2.665 -7.628 0.621 255 HG13 VAL 36 3HG1 VAL 36 1.696 -9.048 1.018 256 HG21 VAL 36 1HG2 VAL 36 2.252 -7.599 -2.218 257 HG22 VAL 36 2HG2 VAL 36 3.652 -7.279 -1.194 258 HG23 VAL 36 3HG2 VAL 36 3.785 -8.407 -2.544 259 H PHE 37 H PHE 37 3.806 -12.811 -1.552 260 HA PHE 37 HA PHE 37 1.858 -13.991 -0.074 261 HB2 PHE 37 1HB PHE 37 4.561 -15.296 -0.263 262 HB3 PHE 37 2HB PHE 37 2.969 -16.042 -0.359 263 HD1 PHE 37 1HD PHE 37 1.587 -14.467 -2.345 264 HD2 PHE 37 2HD PHE 37 5.651 -15.727 -2.242 265 HE1 PHE 37 1HE PHE 37 1.681 -14.352 -4.801 266 HE2 PHE 37 2HE PHE 37 5.753 -15.613 -4.698 267 HZ PHE 37 HZ PHE 37 3.767 -14.924 -5.981 268 H ARG 38 H ARG 38 2.117 -15.445 1.878 269 HA ARG 38 HA ARG 38 2.829 -13.860 4.114 270 HB2 ARG 38 1HB ARG 38 1.027 -15.542 4.170 271 HB3 ARG 38 2HB ARG 38 2.221 -16.819 3.986 272 HG2 ARG 38 1HG ARG 38 3.101 -16.457 6.130 273 HG3 ARG 38 2HG ARG 38 2.302 -14.891 6.281 274 HD2 ARG 38 1HD ARG 38 0.140 -15.961 6.397 275 HD3 ARG 38 2HD ARG 38 0.872 -17.539 6.107 276 HE ARG 38 HE ARG 38 2.124 -16.637 8.345 277 HH11 ARG 38 1HH1 ARG 38 -1.206 -17.073 7.426 278 HH12 ARG 38 2HH1 ARG 38 -1.745 -17.396 9.040 279 HH21 ARG 38 1HH2 ARG 38 1.426 -17.060 10.475 280 HH22 ARG 38 2HH2 ARG 38 -0.247 -17.388 10.774 281 H GLU 39 H GLU 39 4.546 -13.974 5.512 282 HA GLU 39 HA GLU 39 6.699 -14.291 6.175 283 HB2 GLU 39 1HB GLU 39 6.125 -17.030 5.043 284 HB3 GLU 39 2HB GLU 39 7.606 -16.631 5.902 285 HG2 GLU 39 1HG GLU 39 6.426 -16.213 7.917 286 HG3 GLU 39 2HG GLU 39 4.870 -16.285 7.093 287 H ALA 40 H ALA 40 6.289 -13.062 3.655 288 HA ALA 40 HA ALA 40 8.780 -13.849 2.295 289 HB1 ALA 40 1HB ALA 40 7.191 -14.581 0.769 290 HB2 ALA 40 2HB ALA 40 6.108 -13.228 1.096 291 HB3 ALA 40 3HB ALA 40 7.592 -12.968 0.180 292 H THR 41 H THR 41 10.080 -12.198 1.555 293 HA THR 41 HA THR 41 9.665 -9.628 2.805 294 HB THR 41 HB THR 41 11.922 -10.481 0.984 295 HG1 THR 41 1HG THR 41 12.885 -11.304 2.732 296 HG21 THR 41 1HG2 THR 41 12.748 -8.618 2.929 297 HG22 THR 41 2HG2 THR 41 11.246 -7.995 2.245 298 HG23 THR 41 3HG2 THR 41 12.607 -8.371 1.189 299 H THR 42 H THR 42 8.242 -8.311 1.840 300 HA THR 42 HA THR 42 8.568 -7.831 -1.050 301 HB THR 42 HB THR 42 6.459 -9.019 -0.628 302 HG1 THR 42 1HG THR 42 6.691 -6.562 -1.775 303 HG21 THR 42 1HG2 THR 42 4.681 -7.444 0.538 304 HG22 THR 42 2HG2 THR 42 6.113 -6.837 1.370 305 HG23 THR 42 3HG2 THR 42 5.687 -8.545 1.478 306 H ASP 43 H ASP 43 8.432 -5.715 -1.762 307 HA ASP 43 HA ASP 43 7.858 -3.592 0.133 308 HB2 ASP 43 1HB ASP 43 9.981 -2.470 -0.116 309 HB3 ASP 43 2HB ASP 43 10.278 -4.112 0.448 310 H PHE 44 H PHE 44 7.704 -1.483 -0.887 311 HA PHE 44 HA PHE 44 7.280 -1.655 -3.798 312 HB2 PHE 44 1HB PHE 44 5.413 -0.030 -3.500 313 HB3 PHE 44 2HB PHE 44 5.116 -1.582 -2.723 314 HD1 PHE 44 2HD PHE 44 5.108 -1.782 -0.303 315 HD2 PHE 44 1HD PHE 44 5.738 1.972 -2.208 316 HE1 PHE 44 2HE PHE 44 4.671 -0.632 1.827 317 HE2 PHE 44 1HE PHE 44 5.303 3.129 -0.080 318 HZ PHE 44 HZ PHE 44 4.767 1.827 1.941 319 H THR 45 H THR 45 7.050 0.697 -4.709 320 HA THR 45 HA THR 45 9.152 2.375 -3.505 321 HB THR 45 HB THR 45 8.723 2.015 -6.475 322 HG1 THR 45 1HG THR 45 9.681 0.197 -5.097 323 HG21 THR 45 1HG2 THR 45 11.307 2.983 -5.705 324 HG22 THR 45 2HG2 THR 45 10.060 3.998 -4.980 325 HG23 THR 45 3HG2 THR 45 10.093 3.753 -6.726 326 H VAL 46 H VAL 46 8.611 4.439 -3.179 327 HA VAL 46 HA VAL 46 6.067 5.390 -4.297 328 HB VAL 46 HB VAL 46 7.658 6.380 -1.929 329 HG11 VAL 46 1HG1 VAL 46 5.857 7.946 -1.526 330 HG12 VAL 46 2HG1 VAL 46 6.538 8.220 -3.131 331 HG13 VAL 46 3HG1 VAL 46 5.001 7.371 -2.957 332 HG21 VAL 46 1HG2 VAL 46 6.116 5.352 -0.561 333 HG22 VAL 46 2HG2 VAL 46 4.868 5.325 -1.807 334 HG23 VAL 46 3HG2 VAL 46 6.220 4.197 -1.890 335 H ASP 47 H ASP 47 6.103 6.813 -5.896 336 HA ASP 47 HA ASP 47 8.590 8.250 -6.467 337 HB2 ASP 47 1HB ASP 47 7.137 6.842 -8.174 338 HB3 ASP 47 2HB ASP 47 6.226 8.345 -8.291 339 H SER 48 H SER 48 8.800 10.306 -5.912 340 HA SER 48 HA SER 48 6.404 12.003 -5.788 341 HB2 SER 48 1HB SER 48 8.610 12.129 -3.726 342 HB3 SER 48 2HB SER 48 7.056 12.962 -3.695 343 HG SER 48 HG SER 48 7.570 10.705 -2.573 344 H ARG 49 H ARG 49 6.644 14.010 -6.612 345 HA ARG 49 HA ARG 49 9.340 14.758 -7.535 346 HB2 ARG 49 1HB ARG 49 6.686 14.840 -8.828 347 HB3 ARG 49 2HB ARG 49 7.690 16.262 -9.080 348 HG2 ARG 49 1HG ARG 49 8.489 13.423 -9.688 349 HG3 ARG 49 2HG ARG 49 7.965 14.626 -10.868 350 HD2 ARG 49 1HD ARG 49 9.893 16.058 -9.930 351 HD3 ARG 49 2HD ARG 49 10.484 14.545 -9.245 352 HE ARG 49 HE ARG 49 9.898 14.382 -12.052 353 HH11 ARG 49 1HH1 ARG 49 12.294 15.241 -9.677 354 HH12 ARG 49 2HH1 ARG 49 13.632 15.004 -10.751 355 HH21 ARG 49 1HH2 ARG 49 11.652 14.066 -13.476 356 HH22 ARG 49 2HH2 ARG 49 13.266 14.337 -12.912 357 HA PRO 50 HA PRO 50 7.455 18.972 -6.256 358 HB2 PRO 50 1HB PRO 50 4.828 19.074 -5.580 359 HB3 PRO 50 2HB PRO 50 5.399 19.251 -7.243 360 HG2 PRO 50 1HG PRO 50 4.269 16.840 -5.874 361 HG3 PRO 50 2HG PRO 50 3.941 17.458 -7.503 362 HD2 PRO 50 1HD PRO 50 5.626 15.390 -7.042 363 HD3 PRO 50 2HD PRO 50 5.863 16.536 -8.378 364 H LEU 51 H LEU 51 7.331 16.128 -4.616 365 HA LEU 51 HA LEU 51 6.757 17.379 -2.021 366 HB2 LEU 51 1HB LEU 51 7.200 14.449 -2.377 367 HB3 LEU 51 2HB LEU 51 6.230 15.294 -1.173 368 HG LEU 51 HG LEU 51 5.527 14.744 -4.049 369 HD11 LEU 51 1HD1 LEU 51 3.603 13.602 -3.022 370 HD12 LEU 51 2HD1 LEU 51 4.276 13.939 -1.428 371 HD13 LEU 51 3HD1 LEU 51 5.145 12.890 -2.547 372 HD21 LEU 51 1HD2 LEU 51 3.816 16.266 -2.107 373 HD22 LEU 51 2HD2 LEU 51 3.612 16.083 -3.849 374 HD23 LEU 51 3HD2 LEU 51 4.924 17.078 -3.213 375 H THR 52 H THR 52 9.152 15.395 -3.716 376 HA THR 52 HA THR 52 11.248 16.526 -2.054 377 HB THR 52 HB THR 52 10.363 14.354 -0.966 378 HG1 THR 52 1HG THR 52 12.452 15.441 -0.590 379 HG21 THR 52 1HG2 THR 52 11.326 12.292 -1.847 380 HG22 THR 52 2HG2 THR 52 12.008 13.179 -3.211 381 HG23 THR 52 3HG2 THR 52 10.259 13.036 -3.038 382 H GLN 53 H GLN 53 13.359 16.252 -2.930 383 HA GLN 53 HA GLN 53 13.400 15.289 -5.713 384 HB2 GLN 53 1HB GLN 53 14.873 17.700 -4.639 385 HB3 GLN 53 2HB GLN 53 14.904 17.115 -6.297 386 HG2 GLN 53 1HG GLN 53 13.406 18.844 -6.437 387 HG3 GLN 53 2HG GLN 53 12.336 17.464 -6.195 388 HE21 GLN 53 1HE2 GLN 53 10.712 18.019 -4.944 389 HE22 GLN 53 2HE2 GLN 53 10.805 18.993 -3.521 390 H VAL 54 H VAL 54 15.183 15.802 -2.725 391 HA VAL 54 HA VAL 54 17.246 13.933 -3.698 392 HB VAL 54 HB VAL 54 18.825 14.945 -2.178 393 HG11 VAL 54 1HG1 VAL 54 17.463 16.475 -4.252 394 HG12 VAL 54 2HG1 VAL 54 18.330 17.485 -3.094 395 HG13 VAL 54 3HG1 VAL 54 19.186 16.220 -3.978 396 HG21 VAL 54 1HG2 VAL 54 18.233 16.114 -0.381 397 HG22 VAL 54 2HG2 VAL 54 17.332 17.270 -1.363 398 HG23 VAL 54 3HG2 VAL 54 16.549 15.795 -0.797 399 H GLY 55 H GLY 55 14.790 13.047 -2.594 400 HA2 GLY 55 1HA GLY 55 14.110 11.402 -1.134 401 HA3 GLY 55 2HA GLY 55 15.775 11.284 -0.584 402 H GLY 56 H GLY 56 13.688 11.008 1.191 403 HA2 GLY 56 1HA GLY 56 14.297 13.140 3.040 404 HA3 GLY 56 2HA GLY 56 12.623 13.123 2.506 405 H ASP 57 H ASP 57 12.650 12.863 5.024 406 HA ASP 57 HA ASP 57 12.348 9.986 5.548 407 HB2 ASP 57 1HB ASP 57 14.452 10.988 6.578 408 HB3 ASP 57 2HB ASP 57 13.381 11.925 7.615 409 H HIS 58 H HIS 58 10.289 11.668 4.744 410 HA HIS 58 HA HIS 58 8.742 12.005 7.230 411 HB2 HIS 58 1HB HIS 58 8.842 13.609 4.713 412 HB3 HIS 58 2HB HIS 58 7.316 13.516 5.587 413 HD1 HIS 58 1HD HIS 58 7.020 15.189 7.387 414 HD2 HIS 58 2HD HIS 58 11.027 14.591 6.469 415 HE1 HIS 58 1HE HIS 58 8.284 16.863 8.775 416 H ILE 59 H ILE 59 9.078 9.563 5.657 417 HA ILE 59 HA ILE 59 6.317 9.190 4.698 418 HB ILE 59 HB ILE 59 8.820 7.669 3.964 419 HG12 ILE 59 1HG1 ILE 59 8.648 9.819 2.841 420 HG13 ILE 59 2HG1 ILE 59 8.325 8.527 1.691 421 HG21 ILE 59 1HG2 ILE 59 6.103 6.813 3.961 422 HG22 ILE 59 2HG2 ILE 59 6.647 6.981 2.293 423 HG23 ILE 59 3HG2 ILE 59 7.537 5.946 3.410 424 HD11 ILE 59 1HD1 ILE 59 5.840 9.234 2.755 425 HD12 ILE 59 2HD1 ILE 59 6.686 10.749 2.435 426 HD13 ILE 59 3HD1 ILE 59 6.461 9.572 1.140 427 H LYS 60 H LYS 60 5.032 7.815 5.751 428 HA LYS 60 HA LYS 60 6.220 5.763 7.471 429 HB2 LYS 60 1HB LYS 60 5.702 7.752 8.872 430 HB3 LYS 60 2HB LYS 60 4.019 7.629 8.376 431 HG2 LYS 60 1HG LYS 60 3.910 6.533 10.362 432 HG3 LYS 60 2HG LYS 60 4.291 5.172 9.304 433 HD2 LYS 60 1HD LYS 60 6.545 6.711 10.490 434 HD3 LYS 60 2HD LYS 60 5.639 5.617 11.537 435 HE2 LYS 60 1HE LYS 60 5.997 3.876 9.682 436 HE3 LYS 60 2HE LYS 60 7.230 4.980 9.073 437 HZ1 LYS 60 1HZ LYS 60 7.400 3.143 11.210 438 HZ2 LYS 60 2HZ LYS 60 7.681 4.706 11.793 439 HZ3 LYS 60 3HZ LYS 60 8.622 4.093 10.528 440 H ALA 61 H ALA 61 5.140 3.862 7.477 441 HA ALA 61 HA ALA 61 2.500 3.788 6.171 442 HB1 ALA 61 1HB ALA 61 3.798 1.319 5.714 443 HB2 ALA 61 2HB ALA 61 3.325 2.542 4.533 444 HB3 ALA 61 3HB ALA 61 4.927 2.600 5.270 445 H HIS 62 H HIS 62 1.060 2.179 6.885 446 HA HIS 62 HA HIS 62 1.849 0.633 9.242 447 HB2 HIS 62 1HB HIS 62 0.782 2.830 9.932 448 HB3 HIS 62 2HB HIS 62 -0.704 2.244 9.191 449 HD1 HIS 62 1HD HIS 62 0.793 2.482 12.366 450 HD2 HIS 62 2HD HIS 62 -1.316 -0.510 10.402 451 HE1 HIS 62 1HE HIS 62 -0.046 0.952 14.177 452 H ILE 63 H ILE 63 1.494 -1.395 8.624 453 HA ILE 63 HA ILE 63 -0.610 -2.055 6.754 454 HB ILE 63 HB ILE 63 1.339 -3.850 8.203 455 HG12 ILE 63 1HG1 ILE 63 1.447 -3.245 5.277 456 HG13 ILE 63 2HG1 ILE 63 2.080 -2.057 6.411 457 HG21 ILE 63 1HG2 ILE 63 -0.972 -4.407 6.529 458 HG22 ILE 63 2HG2 ILE 63 0.509 -5.145 5.920 459 HG23 ILE 63 3HG2 ILE 63 -0.035 -5.487 7.562 460 HD11 ILE 63 1HD1 ILE 63 3.593 -3.749 7.321 461 HD12 ILE 63 2HD1 ILE 63 2.971 -4.919 6.157 462 HD13 ILE 63 3HD1 ILE 63 3.843 -3.494 5.594 463 H ALA 64 H ALA 64 -2.407 -3.323 7.156 464 HA ALA 64 HA ALA 64 -2.988 -3.953 9.969 465 HB1 ALA 64 1HB ALA 64 -5.451 -3.303 8.889 466 HB2 ALA 64 2HB ALA 64 -4.500 -2.320 10.003 467 HB3 ALA 64 3HB ALA 64 -4.367 -2.059 8.264 468 H ASN 65 H ASN 65 -3.066 -6.109 10.008 469 HA ASN 65 HA ASN 65 -3.773 -7.713 7.773 470 HB2 ASN 65 1HB ASN 65 -3.272 -8.271 10.683 471 HB3 ASN 65 2HB ASN 65 -3.879 -9.539 9.622 472 HD21 ASN 65 1HD2 ASN 65 -1.330 -9.299 11.038 473 HD22 ASN 65 2HD2 ASN 65 -0.104 -9.418 9.826 474 HA PRO 66 HA PRO 66 -8.148 -7.944 8.073 475 HB2 PRO 66 1HB PRO 66 -8.588 -10.478 7.203 476 HB3 PRO 66 2HB PRO 66 -8.091 -9.166 6.128 477 HG2 PRO 66 1HG PRO 66 -6.432 -11.322 7.376 478 HG3 PRO 66 2HG PRO 66 -6.385 -10.692 5.719 479 HD2 PRO 66 1HD PRO 66 -4.600 -9.945 7.613 480 HD3 PRO 66 2HD PRO 66 -5.135 -8.852 6.321 481 H SER 67 H SER 67 -6.132 -9.615 10.127 482 HA SER 67 HA SER 67 -8.337 -10.953 11.533 483 HB2 SER 67 1HB SER 67 -5.344 -11.298 11.635 484 HB3 SER 67 2HB SER 67 -6.401 -11.977 12.872 485 HG SER 67 HG SER 67 -7.548 -12.965 11.023 486 H GLY 68 H GLY 68 -6.257 -8.241 11.671 487 HA2 GLY 68 1HA GLY 68 -7.089 -6.502 13.256 488 HA3 GLY 68 2HA GLY 68 -7.056 -7.765 14.478 489 H ALA 69 H ALA 69 -4.486 -8.728 13.077 490 HA ALA 69 HA ALA 69 -2.698 -7.311 14.813 491 HB1 ALA 69 1HB ALA 69 -2.296 -9.631 14.526 492 HB2 ALA 69 2HB ALA 69 -2.261 -9.476 12.769 493 HB3 ALA 69 3HB ALA 69 -0.963 -8.782 13.740 494 H SER 70 H SER 70 -0.463 -6.694 13.794 495 HA SER 70 HA SER 70 -0.841 -5.241 11.276 496 HB2 SER 70 1HB SER 70 0.242 -3.230 12.261 497 HB3 SER 70 2HB SER 70 -1.310 -3.601 13.012 498 HG SER 70 HG SER 70 0.971 -4.714 14.161 499 H THR 71 H THR 71 0.873 -5.338 9.957 500 HA THR 71 HA THR 71 3.200 -6.831 10.846 501 HB THR 71 HB THR 71 2.520 -5.774 8.095 502 HG1 THR 71 1HG THR 71 1.309 -7.494 7.957 503 HG21 THR 71 1HG2 THR 71 4.670 -6.237 7.663 504 HG22 THR 71 2HG2 THR 71 4.210 -7.933 7.816 505 HG23 THR 71 3HG2 THR 71 4.885 -7.073 9.200 506 H GLU 72 H GLU 72 5.302 -6.084 10.857 507 HA GLU 72 HA GLU 72 5.641 -3.286 11.335 508 HB2 GLU 72 1HB GLU 72 6.907 -5.285 12.393 509 HB3 GLU 72 2HB GLU 72 7.907 -5.220 10.948 510 HG2 GLU 72 1HG GLU 72 8.451 -2.876 11.459 511 HG3 GLU 72 2HG GLU 72 7.503 -3.001 12.940 512 H CYS 73 H CYS 73 6.489 -1.732 10.055 513 HA CYS 73 HA CYS 73 7.158 -2.510 7.295 514 HB2 CYS 73 1HB CYS 73 6.068 0.109 8.346 515 HB3 CYS 73 2HB CYS 73 6.501 -0.202 6.670 516 HG CYS 73 HG CYS 73 4.130 -2.061 8.274 517 H PHE 74 H PHE 74 8.962 -1.637 6.293 518 HA PHE 74 HA PHE 74 10.809 -0.150 8.040 519 HB2 PHE 74 1HB PHE 74 11.522 -2.349 6.088 520 HB3 PHE 74 2HB PHE 74 12.676 -1.396 7.014 521 HD1 PHE 74 1HD PHE 74 9.691 -3.568 7.530 522 HD2 PHE 74 2HD PHE 74 13.461 -2.246 8.999 523 HE1 PHE 74 1HE PHE 74 9.534 -5.184 9.379 524 HE2 PHE 74 2HE PHE 74 13.310 -3.861 10.849 525 HZ PHE 74 HZ PHE 74 11.346 -5.333 11.041 526 H VAL 75 H VAL 75 10.849 1.849 7.226 527 HA VAL 75 HA VAL 75 10.554 2.352 4.401 528 HB VAL 75 HB VAL 75 11.147 4.249 6.677 529 HG11 VAL 75 1HG1 VAL 75 11.913 5.395 4.816 530 HG12 VAL 75 2HG1 VAL 75 10.702 4.681 3.750 531 HG13 VAL 75 3HG1 VAL 75 10.232 5.916 4.917 532 HG21 VAL 75 1HG2 VAL 75 8.640 4.820 5.760 533 HG22 VAL 75 2HG2 VAL 75 8.692 3.064 5.608 534 HG23 VAL 75 3HG2 VAL 75 9.000 3.824 7.170 535 H THR 76 H THR 76 12.116 2.753 2.952 536 HA THR 76 HA THR 76 14.855 3.207 3.919 537 HB THR 76 HB THR 76 14.084 1.282 1.717 538 HG1 THR 76 1HG THR 76 14.887 -0.277 3.155 539 HG21 THR 76 1HG2 THR 76 16.785 0.988 2.440 540 HG22 THR 76 2HG2 THR 76 16.521 2.718 2.218 541 HG23 THR 76 3HG2 THR 76 16.139 1.593 0.915 542 H ASP 77 H ASP 77 15.297 5.210 3.252 543 HA ASP 77 HA ASP 77 14.239 6.215 0.743 544 HB2 ASP 77 1HB ASP 77 15.633 8.285 1.506 545 HB3 ASP 77 2HB ASP 77 14.154 7.873 2.370 546 H ASN 78 H ASN 78 15.287 6.158 -1.128 547 HA ASN 78 HA ASN 78 17.971 5.122 -1.256 548 HB2 ASN 78 1HB ASN 78 16.055 6.051 -3.402 549 HB3 ASN 78 2HB ASN 78 17.642 5.363 -3.733 550 HD21 ASN 78 1HD2 ASN 78 14.400 4.740 -2.733 551 HD22 ASN 78 2HD2 ASN 78 14.499 3.015 -2.756 552 H ALA 79 H ALA 79 16.741 8.138 -0.715 553 HA ALA 79 HA ALA 79 17.639 10.229 -0.700 554 HB1 ALA 79 1HB ALA 79 19.869 8.444 -0.525 555 HB2 ALA 79 2HB ALA 79 20.318 9.863 -1.473 556 HB3 ALA 79 3HB ALA 79 19.678 10.058 0.159 557 H ASP 80 H ASP 80 16.538 9.082 -3.155 558 HA ASP 80 HA ASP 80 17.959 10.764 -5.114 559 HB2 ASP 80 1HB ASP 80 18.209 8.406 -5.693 560 HB3 ASP 80 2HB ASP 80 16.464 8.182 -5.615 561 H GLY 81 H GLY 81 14.924 9.796 -3.715 562 HA2 GLY 81 1HA GLY 81 13.444 11.961 -3.885 563 HA3 GLY 81 2HA GLY 81 13.421 11.483 -5.576 564 H THR 82 H THR 82 13.574 8.597 -4.423 565 HA THR 82 HA THR 82 10.677 8.369 -3.926 566 HB THR 82 HB THR 82 10.752 6.151 -4.940 567 HG1 THR 82 1HG THR 82 13.267 6.199 -4.430 568 HG21 THR 82 1HG2 THR 82 10.280 7.233 -6.830 569 HG22 THR 82 2HG2 THR 82 12.004 7.274 -7.200 570 HG23 THR 82 3HG2 THR 82 11.257 8.611 -6.326 571 H TYR 83 H TYR 83 10.036 6.429 -2.664 572 HA TYR 83 HA TYR 83 12.035 5.827 -0.583 573 HB2 TYR 83 1HB TYR 83 9.038 5.944 -0.206 574 HB3 TYR 83 2HB TYR 83 10.258 5.745 1.047 575 HD1 TYR 83 1HD TYR 83 8.854 8.133 -1.404 576 HD2 TYR 83 2HD TYR 83 11.344 7.622 2.008 577 HE1 TYR 83 1HE TYR 83 8.934 10.573 -1.105 578 HE2 TYR 83 2HE TYR 83 11.431 10.061 2.317 579 HH TYR 83 HH TYR 83 10.390 12.251 -0.054 580 H GLN 84 H GLN 84 11.994 3.737 0.349 581 HA GLN 84 HA GLN 84 10.507 1.718 -1.191 582 HB2 GLN 84 1HB GLN 84 12.940 1.864 -1.832 583 HB3 GLN 84 2HB GLN 84 13.334 1.365 -0.192 584 HG2 GLN 84 1HG GLN 84 13.405 -0.652 -1.223 585 HG3 GLN 84 2HG GLN 84 11.700 -0.619 -0.777 586 HE21 GLN 84 1HE2 GLN 84 10.618 -1.573 -2.348 587 HE22 GLN 84 2HE2 GLN 84 10.790 -1.254 -4.037 588 H VAL 85 H VAL 85 9.024 1.030 0.228 589 HA VAL 85 HA VAL 85 9.831 0.533 3.005 590 HB VAL 85 HB VAL 85 7.073 0.666 1.778 591 HG11 VAL 85 1HG1 VAL 85 7.278 -0.912 3.697 592 HG12 VAL 85 2HG1 VAL 85 7.812 0.444 4.692 593 HG13 VAL 85 3HG1 VAL 85 6.192 0.445 3.994 594 HG21 VAL 85 1HG2 VAL 85 8.675 2.591 3.444 595 HG22 VAL 85 2HG2 VAL 85 7.950 2.857 1.858 596 HG23 VAL 85 3HG2 VAL 85 6.922 2.704 3.282 597 H GLU 86 H GLU 86 10.257 -1.470 3.639 598 HA GLU 86 HA GLU 86 9.142 -3.704 2.074 599 HB2 GLU 86 1HB GLU 86 11.592 -3.510 1.903 600 HB3 GLU 86 2HB GLU 86 11.719 -3.619 3.653 601 HG2 GLU 86 1HG GLU 86 10.490 -5.871 3.369 602 HG3 GLU 86 2HG GLU 86 10.980 -5.738 1.681 603 H TYR 87 H TYR 87 8.075 -5.307 3.113 604 HA TYR 87 HA TYR 87 8.192 -5.521 6.007 605 HB2 TYR 87 1HB TYR 87 5.825 -5.236 6.362 606 HB3 TYR 87 2HB TYR 87 6.436 -3.807 5.535 607 HD1 TYR 87 2HD TYR 87 4.404 -6.849 5.176 608 HD2 TYR 87 1HD TYR 87 5.737 -3.273 3.294 609 HE1 TYR 87 2HE TYR 87 2.701 -7.142 3.426 610 HE2 TYR 87 1HE TYR 87 4.037 -3.556 1.539 611 HH TYR 87 HH TYR 87 2.310 -4.756 0.825 612 H THR 88 H THR 88 7.305 -7.478 6.816 613 HA THR 88 HA THR 88 6.803 -9.511 4.740 614 HB THR 88 HB THR 88 8.109 -10.064 7.405 615 HG1 THR 88 1HG THR 88 9.186 -9.177 4.981 616 HG21 THR 88 1HG2 THR 88 8.467 -11.760 4.992 617 HG22 THR 88 2HG2 THR 88 6.906 -11.824 5.811 618 HG23 THR 88 3HG2 THR 88 8.382 -12.217 6.693 619 HA PRO 89 HA PRO 89 2.974 -9.541 7.178 620 HB2 PRO 89 1HB PRO 89 1.497 -10.714 5.225 621 HB3 PRO 89 2HB PRO 89 1.842 -8.981 5.258 622 HG2 PRO 89 1HG PRO 89 3.177 -11.148 3.682 623 HG3 PRO 89 2HG PRO 89 2.692 -9.523 3.163 624 HD2 PRO 89 1HD PRO 89 5.246 -10.142 3.820 625 HD3 PRO 89 2HD PRO 89 4.550 -8.532 4.101 626 H PHE 90 H PHE 90 2.598 -11.082 8.630 627 HA PHE 90 HA PHE 90 3.367 -13.841 8.013 628 HB2 PHE 90 1HB PHE 90 2.946 -14.083 10.566 629 HB3 PHE 90 2HB PHE 90 4.387 -13.232 10.020 630 HD1 PHE 90 1HD PHE 90 0.928 -12.718 11.242 631 HD2 PHE 90 2HD PHE 90 4.788 -11.023 10.660 632 HE1 PHE 90 1HE PHE 90 0.260 -10.753 12.563 633 HE2 PHE 90 2HE PHE 90 4.127 -9.055 11.981 634 HZ PHE 90 HZ PHE 90 1.860 -8.918 12.935 635 H GLU 91 H GLU 91 0.946 -12.709 6.927 636 HA GLU 91 HA GLU 91 -0.893 -14.753 7.797 637 HB2 GLU 91 1HB GLU 91 -1.363 -11.851 8.364 638 HB3 GLU 91 2HB GLU 91 -2.730 -12.890 7.987 639 HG2 GLU 91 1HG GLU 91 -1.634 -14.412 9.842 640 HG3 GLU 91 2HG GLU 91 -0.956 -12.871 10.364 641 H LYS 92 H LYS 92 -2.113 -15.446 6.142 642 HA LYS 92 HA LYS 92 -1.777 -14.152 3.569 643 HB2 LYS 92 1HB LYS 92 -3.351 -16.653 4.184 644 HB3 LYS 92 2HB LYS 92 -2.728 -16.138 2.622 645 HG2 LYS 92 1HG LYS 92 -0.476 -16.545 3.310 646 HG3 LYS 92 2HG LYS 92 -0.988 -16.851 4.971 647 HD2 LYS 92 1HD LYS 92 -2.387 -18.754 4.023 648 HD3 LYS 92 2HD LYS 92 -1.479 -18.533 2.525 649 HE2 LYS 92 1HE LYS 92 -0.184 -20.123 3.525 650 HE3 LYS 92 2HE LYS 92 0.582 -18.672 4.171 651 HZ1 LYS 92 1HZ LYS 92 -1.512 -20.249 5.567 652 HZ2 LYS 92 2HZ LYS 92 -0.685 -18.911 6.189 653 HZ3 LYS 92 3HZ LYS 92 0.147 -20.352 5.881 654 H GLY 93 H GLY 93 -3.039 -12.377 3.366 655 HA2 GLY 93 1HA GLY 93 -5.774 -12.644 2.823 656 HA3 GLY 93 2HA GLY 93 -5.610 -12.063 4.473 657 H LEU 94 H LEU 94 -6.904 -10.318 3.211 658 HA LEU 94 HA LEU 94 -5.169 -8.473 1.769 659 HB2 LEU 94 1HB LEU 94 -7.283 -8.755 0.762 660 HB3 LEU 94 2HB LEU 94 -8.124 -8.567 2.300 661 HG LEU 94 HG LEU 94 -7.644 -6.201 2.322 662 HD11 LEU 94 1HD1 LEU 94 -5.419 -6.645 1.009 663 HD12 LEU 94 2HD1 LEU 94 -6.254 -5.097 0.874 664 HD13 LEU 94 3HD1 LEU 94 -6.431 -6.308 -0.396 665 HD21 LEU 94 1HD2 LEU 94 -8.833 -7.318 -0.194 666 HD22 LEU 94 2HD2 LEU 94 -8.771 -5.580 0.102 667 HD23 LEU 94 3HD2 LEU 94 -9.650 -6.633 1.212 668 H HIS 95 H HIS 95 -4.047 -7.003 2.845 669 HA HIS 95 HA HIS 95 -5.016 -6.106 5.467 670 HB2 HIS 95 1HB HIS 95 -2.291 -5.402 4.490 671 HB3 HIS 95 2HB HIS 95 -2.834 -5.790 6.119 672 HD2 HIS 95 2HD HIS 95 -0.485 -7.307 3.864 673 HE1 HIS 95 1HE HIS 95 -2.606 -10.663 5.358 674 HE2 HIS 95 2HE HIS 95 -0.503 -9.868 4.223 675 H VAL 96 H VAL 96 -4.762 -3.832 6.026 676 HA VAL 96 HA VAL 96 -5.248 -2.106 3.693 677 HB VAL 96 HB VAL 96 -6.063 -1.702 6.574 678 HG11 VAL 96 1HG1 VAL 96 -7.172 -0.044 4.384 679 HG12 VAL 96 2HG1 VAL 96 -6.843 0.371 6.068 680 HG13 VAL 96 3HG1 VAL 96 -5.522 0.301 4.901 681 HG21 VAL 96 1HG2 VAL 96 -8.380 -1.858 5.478 682 HG22 VAL 96 2HG2 VAL 96 -7.538 -2.613 4.125 683 HG23 VAL 96 3HG2 VAL 96 -7.479 -3.354 5.724 684 H VAL 97 H VAL 97 -3.388 -1.157 3.118 685 HA VAL 97 HA VAL 97 -1.527 -0.237 5.175 686 HB VAL 97 HB VAL 97 -1.251 -0.346 2.169 687 HG11 VAL 97 1HG1 VAL 97 0.088 1.341 3.915 688 HG12 VAL 97 2HG1 VAL 97 1.202 -0.006 3.670 689 HG13 VAL 97 3HG1 VAL 97 0.592 0.899 2.284 690 HG21 VAL 97 1HG2 VAL 97 0.498 -1.894 3.984 691 HG22 VAL 97 2HG2 VAL 97 -1.173 -2.438 3.834 692 HG23 VAL 97 3HG2 VAL 97 -0.153 -2.318 2.400 693 H GLU 98 H GLU 98 -1.780 1.747 5.948 694 HA GLU 98 HA GLU 98 -2.987 3.804 4.237 695 HB2 GLU 98 1HB GLU 98 -2.775 3.451 7.209 696 HB3 GLU 98 2HB GLU 98 -3.063 5.046 6.527 697 HG2 GLU 98 1HG GLU 98 -5.149 4.475 5.724 698 HG3 GLU 98 2HG GLU 98 -4.791 2.749 5.726 699 H VAL 99 H VAL 99 -1.602 5.080 3.217 700 HA VAL 99 HA VAL 99 1.013 5.624 4.438 701 HB VAL 99 HB VAL 99 0.205 6.252 1.603 702 HG11 VAL 99 1HG1 VAL 99 2.382 6.770 1.222 703 HG12 VAL 99 2HG1 VAL 99 2.330 7.152 2.944 704 HG13 VAL 99 3HG1 VAL 99 2.981 5.605 2.403 705 HG21 VAL 99 1HG2 VAL 99 0.201 4.082 1.128 706 HG22 VAL 99 2HG2 VAL 99 1.889 4.000 1.634 707 HG23 VAL 99 3HG2 VAL 99 0.604 3.677 2.797 708 H THR 100 H THR 100 1.647 7.643 4.979 709 HA THR 100 HA THR 100 -0.061 9.907 4.224 710 HB THR 100 HB THR 100 0.220 10.806 6.575 711 HG1 THR 100 1HG THR 100 1.284 9.620 7.959 712 HG21 THR 100 1HG2 THR 100 -1.513 9.060 7.500 713 HG22 THR 100 2HG2 THR 100 -1.478 8.463 5.841 714 HG23 THR 100 3HG2 THR 100 -1.945 10.132 6.169 715 H TYR 101 H TYR 101 1.182 11.346 3.238 716 HA TYR 101 HA TYR 101 4.037 11.455 3.855 717 HB2 TYR 101 1HB TYR 101 3.166 11.288 1.476 718 HB3 TYR 101 2HB TYR 101 2.587 12.940 1.662 719 HD1 TYR 101 1HD TYR 101 4.503 14.572 2.673 720 HD2 TYR 101 2HD TYR 101 5.184 11.038 0.404 721 HE1 TYR 101 1HE TYR 101 6.716 15.425 2.020 722 HE2 TYR 101 2HE TYR 101 7.399 11.881 -0.254 723 HH TYR 101 HH TYR 101 8.779 14.737 1.175 724 H ASP 102 H ASP 102 4.720 12.872 5.303 725 HA ASP 102 HA ASP 102 4.937 14.751 6.567 726 HB2 ASP 102 1HB ASP 102 3.650 15.884 4.093 727 HB3 ASP 102 2HB ASP 102 4.046 16.908 5.470 728 H ASP 103 H ASP 103 2.820 13.067 7.212 729 HA ASP 103 HA ASP 103 1.022 13.012 8.609 730 HB2 ASP 103 1HB ASP 103 1.070 16.022 8.726 731 HB3 ASP 103 2HB ASP 103 0.508 14.887 9.951 732 H VAL 104 H VAL 104 0.690 13.115 5.777 733 HA VAL 104 HA VAL 104 -2.099 13.934 5.693 734 HB VAL 104 HB VAL 104 -0.088 14.972 3.691 735 HG11 VAL 104 1HG1 VAL 104 -1.742 15.292 2.240 736 HG12 VAL 104 2HG1 VAL 104 -2.766 14.302 3.282 737 HG13 VAL 104 3HG1 VAL 104 -2.749 16.056 3.470 738 HG21 VAL 104 1HG2 VAL 104 -1.832 16.418 5.684 739 HG22 VAL 104 2HG2 VAL 104 -0.081 16.233 5.774 740 HG23 VAL 104 3HG2 VAL 104 -0.801 17.186 4.476 741 HA PRO 105 HA PRO 105 -2.159 10.042 3.557 742 HB2 PRO 105 1HB PRO 105 -4.810 10.054 2.975 743 HB3 PRO 105 2HB PRO 105 -4.182 9.692 4.587 744 HG2 PRO 105 1HG PRO 105 -5.314 12.252 3.526 745 HG3 PRO 105 2HG PRO 105 -5.594 11.469 5.092 746 HD2 PRO 105 1HD PRO 105 -3.887 13.548 4.788 747 HD3 PRO 105 2HD PRO 105 -3.623 12.263 5.984 748 H ILE 106 H ILE 106 -2.514 9.241 1.429 749 HA ILE 106 HA ILE 106 -2.477 11.352 -0.609 750 HB ILE 106 HB ILE 106 -1.755 9.234 -2.037 751 HG12 ILE 106 1HG1 ILE 106 -0.880 8.529 0.774 752 HG13 ILE 106 2HG1 ILE 106 -2.064 7.644 -0.183 753 HG21 ILE 106 1HG2 ILE 106 0.630 9.774 -1.395 754 HG22 ILE 106 2HG2 ILE 106 -0.368 11.139 -1.894 755 HG23 ILE 106 3HG2 ILE 106 -0.040 10.866 -0.183 756 HD11 ILE 106 1HD1 ILE 106 0.038 7.615 -1.865 757 HD12 ILE 106 2HD1 ILE 106 0.867 7.625 -0.308 758 HD13 ILE 106 3HD1 ILE 106 -0.300 6.356 -0.677 759 HA PRO 107 HA PRO 107 -6.307 10.182 -2.402 760 HB2 PRO 107 1HB PRO 107 -5.799 10.426 -5.058 761 HB3 PRO 107 2HB PRO 107 -5.956 11.816 -3.978 762 HG2 PRO 107 1HG PRO 107 -3.479 10.483 -5.000 763 HG3 PRO 107 2HG PRO 107 -3.834 12.213 -4.843 764 HD2 PRO 107 1HD PRO 107 -2.318 10.869 -3.047 765 HD3 PRO 107 2HD PRO 107 -3.354 12.236 -2.589 766 H ASN 108 H ASN 108 -3.670 8.205 -2.557 767 HA ASN 108 HA ASN 108 -5.049 6.177 -4.183 768 HB2 ASN 108 1HB ASN 108 -2.165 6.028 -3.328 769 HB3 ASN 108 2HB ASN 108 -2.958 5.195 -4.661 770 HD21 ASN 108 1HD2 ASN 108 -3.965 6.767 -6.295 771 HD22 ASN 108 2HD2 ASN 108 -2.955 8.081 -6.781 772 H SER 109 H SER 109 -4.204 7.036 -1.016 773 HA SER 109 HA SER 109 -4.386 4.275 -0.047 774 HB2 SER 109 1HB SER 109 -3.352 6.833 1.121 775 HB3 SER 109 2HB SER 109 -3.872 5.541 2.202 776 HG SER 109 HG SER 109 -2.391 4.162 1.138 777 HA PRO 110 HA PRO 110 -4.581 3.698 2.327 778 HB2 PRO 110 1HB PRO 110 -6.226 1.655 3.026 779 HB3 PRO 110 2HB PRO 110 -5.991 3.087 4.035 780 HG2 PRO 110 1HG PRO 110 -8.220 2.449 2.142 781 HG3 PRO 110 2HG PRO 110 -8.299 3.155 3.767 782 HD2 PRO 110 1HD PRO 110 -8.484 4.652 1.518 783 HD3 PRO 110 2HD PRO 110 -7.751 5.263 3.015 784 H PHE 111 H PHE 111 -4.035 1.359 1.862 785 HA PHE 111 HA PHE 111 -4.764 0.711 -0.918 786 HB2 PHE 111 1HB PHE 111 -2.166 0.473 0.570 787 HB3 PHE 111 2HB PHE 111 -2.490 -0.549 -0.827 788 HD1 PHE 111 1HD PHE 111 -3.071 0.590 -3.024 789 HD2 PHE 111 2HD PHE 111 -1.392 2.651 0.300 790 HE1 PHE 111 1HE PHE 111 -2.342 2.402 -4.520 791 HE2 PHE 111 2HE PHE 111 -0.662 4.467 -1.190 792 HZ PHE 111 HZ PHE 111 -1.137 4.345 -3.604 793 H LYS 112 H LYS 112 -4.689 -1.594 -1.481 794 HA LYS 112 HA LYS 112 -5.314 -3.338 0.808 795 HB2 LYS 112 1HB LYS 112 -6.871 -2.813 -1.673 796 HB3 LYS 112 2HB LYS 112 -6.846 -4.465 -1.068 797 HG2 LYS 112 1HG LYS 112 -7.979 -3.922 0.860 798 HG3 LYS 112 2HG LYS 112 -7.492 -2.227 0.794 799 HD2 LYS 112 1HD LYS 112 -9.186 -3.274 -1.411 800 HD3 LYS 112 2HD LYS 112 -9.946 -3.012 0.161 801 HE2 LYS 112 1HE LYS 112 -8.268 -0.900 -1.157 802 HE3 LYS 112 2HE LYS 112 -9.982 -1.084 -1.526 803 HZ1 LYS 112 1HZ LYS 112 -8.764 0.150 0.714 804 HZ2 LYS 112 2HZ LYS 112 -9.789 -1.093 1.227 805 HZ3 LYS 112 3HZ LYS 112 -10.391 0.150 0.251 806 H VAL 113 H VAL 113 -3.668 -4.725 0.929 807 HA VAL 113 HA VAL 113 -2.468 -5.750 -1.543 808 HB VAL 113 HB VAL 113 -1.498 -5.960 1.311 809 HG11 VAL 113 1HG1 VAL 113 0.191 -7.291 0.641 810 HG12 VAL 113 2HG1 VAL 113 -0.916 -7.705 -0.669 811 HG13 VAL 113 3HG1 VAL 113 0.340 -6.492 -0.923 812 HG21 VAL 113 1HG2 VAL 113 -1.227 -3.721 0.671 813 HG22 VAL 113 2HG2 VAL 113 0.342 -4.462 0.358 814 HG23 VAL 113 3HG2 VAL 113 -0.770 -4.155 -0.976 815 H ALA 114 H ALA 114 -3.765 -7.385 -2.232 816 HA ALA 114 HA ALA 114 -4.854 -9.335 -0.413 817 HB1 ALA 114 1HB ALA 114 -5.904 -8.498 -2.598 818 HB2 ALA 114 2HB ALA 114 -4.800 -9.618 -3.398 819 HB3 ALA 114 3HB ALA 114 -5.991 -10.224 -2.247 820 H VAL 115 H VAL 115 -3.134 -10.380 0.564 821 HA VAL 115 HA VAL 115 -0.958 -11.490 -0.920 822 HB VAL 115 HB VAL 115 -1.876 -12.007 1.910 823 HG11 VAL 115 1HG1 VAL 115 0.902 -12.588 1.339 824 HG12 VAL 115 2HG1 VAL 115 -0.316 -13.580 2.142 825 HG13 VAL 115 3HG1 VAL 115 -0.188 -13.592 0.383 826 HG21 VAL 115 1HG2 VAL 115 -1.152 -9.820 1.920 827 HG22 VAL 115 2HG2 VAL 115 0.344 -10.679 2.283 828 HG23 VAL 115 3HG2 VAL 115 0.038 -10.095 0.648 829 H THR 116 H THR 116 -0.679 -13.504 -1.714 830 HA THR 116 HA THR 116 -2.859 -15.445 -1.299 831 HB THR 116 HB THR 116 -3.030 -14.561 -3.555 832 HG1 THR 116 1HG THR 116 -3.019 -16.537 -4.588 833 HG21 THR 116 1HG2 THR 116 -1.287 -14.120 -4.897 834 HG22 THR 116 2HG2 THR 116 -0.528 -15.677 -4.566 835 HG23 THR 116 3HG2 THR 116 -0.292 -14.327 -3.456 836 H GLU 117 H GLU 117 -2.240 -17.704 -1.598 837 HA GLU 117 HA GLU 117 0.038 -18.398 -0.130 838 HB2 GLU 117 1HB GLU 117 -1.798 -19.973 -1.918 839 HB3 GLU 117 2HB GLU 117 -0.417 -20.729 -1.136 840 HG2 GLU 117 1HG GLU 117 -1.336 -19.908 1.051 841 HG3 GLU 117 2HG GLU 117 -2.792 -19.440 0.175 842 H GLY 118 H GLY 118 2.093 -18.203 -0.710 843 HA2 GLY 118 1HA GLY 118 2.810 -18.817 -3.510 844 HA3 GLY 118 2HA GLY 118 3.514 -17.453 -2.653 845 H CYS 119 H CYS 119 4.609 -18.073 -0.528 846 HA CYS 119 HA CYS 119 6.571 -20.075 -1.131 847 HB2 CYS 119 1HB CYS 119 6.842 -17.813 0.154 848 HB3 CYS 119 2HB CYS 119 6.333 -18.755 1.550 849 HG CYS 119 HG CYS 119 9.288 -18.617 0.070 850 H GLN 120 H GLN 120 6.543 -22.149 -0.577 851 HA GLN 120 HA GLN 120 4.352 -23.266 0.856 852 HB2 GLN 120 1HB GLN 120 5.757 -24.343 -1.010 853 HB3 GLN 120 2HB GLN 120 6.924 -24.707 0.254 854 HG2 GLN 120 1HG GLN 120 5.652 -26.644 0.062 855 HG3 GLN 120 2HG GLN 120 4.994 -25.829 1.480 856 HE21 GLN 120 1HE2 GLN 120 4.519 -25.908 -2.037 857 HE22 GLN 120 2HE2 GLN 120 2.793 -25.900 -1.976 858 HA PRO 121 HA PRO 121 5.934 -22.838 4.961 859 HB2 PRO 121 1HB PRO 121 4.204 -24.538 6.182 860 HB3 PRO 121 2HB PRO 121 3.740 -22.921 5.640 861 HG2 PRO 121 1HG PRO 121 3.292 -25.565 4.310 862 HG3 PRO 121 2HG PRO 121 2.176 -24.199 4.488 863 HD2 PRO 121 1HD PRO 121 3.535 -24.681 2.196 864 HD3 PRO 121 2HD PRO 121 3.114 -23.041 2.730 865 H SER 122 H SER 122 5.187 -26.113 3.775 866 HA SER 122 HA SER 122 7.197 -27.263 5.532 867 HB2 SER 122 1HB SER 122 6.359 -29.399 4.849 868 HB3 SER 122 2HB SER 122 4.958 -28.357 5.092 869 HG SER 122 HG SER 122 4.653 -29.366 3.156 870 H SER 123 H SER 123 9.195 -27.837 4.946 871 HA SER 123 HA SER 123 9.849 -27.976 2.085 872 HB2 SER 123 1HB SER 123 11.976 -26.764 2.542 873 HB3 SER 123 2HB SER 123 10.548 -25.765 2.814 874 HG SER 123 HG SER 123 10.889 -26.736 5.109 875 H GLY 124 H GLY 124 11.804 -29.177 1.608 876 HA2 GLY 124 1HA GLY 124 12.028 -31.512 3.268 877 HA3 GLY 124 2HA GLY 124 12.896 -31.208 1.771 878 HA PRO 125 HA PRO 125 15.688 -30.789 5.566 879 HB2 PRO 125 1HB PRO 125 17.254 -32.951 5.074 880 HB3 PRO 125 2HB PRO 125 15.783 -33.033 6.051 881 HG2 PRO 125 1HG PRO 125 16.194 -33.769 3.178 882 HG3 PRO 125 2HG PRO 125 15.288 -34.631 4.436 883 HD2 PRO 125 1HD PRO 125 14.080 -33.081 2.572 884 HD3 PRO 125 2HD PRO 125 13.444 -33.264 4.220 885 H SER 126 H SER 126 16.340 -28.928 4.292 886 HA SER 126 HA SER 126 18.166 -29.248 2.104 887 HB2 SER 126 1HB SER 126 18.387 -26.791 2.227 888 HB3 SER 126 2HB SER 126 16.696 -27.292 2.224 889 HG SER 126 HG SER 126 16.502 -26.725 4.296 890 H SER 127 H SER 127 20.322 -28.061 2.178 891 HA SER 127 HA SER 127 21.675 -27.969 4.713 892 HB2 SER 127 1HB SER 127 21.650 -30.421 4.147 893 HB3 SER 127 2HB SER 127 22.602 -30.041 2.712 894 HG SER 127 HG SER 127 23.323 -29.830 5.429 895 H GLY 128 H GLY 128 24.015 -27.402 4.430 896 HA2 GLY 128 1HA GLY 128 25.737 -26.633 2.868 897 HA3 GLY 128 2HA GLY 128 24.443 -25.967 1.883 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -21.101 -1.634 14.445 2 HA2 GLY 1 1HA GLY 1 -21.579 0.808 13.967 3 HA3 GLY 1 2HA GLY 1 -22.250 0.833 15.591 4 H SER 2 H SER 2 -20.937 1.829 16.953 5 HA SER 2 HA SER 2 -18.190 1.000 17.212 6 HB2 SER 2 1HB SER 2 -17.263 3.297 16.936 7 HB3 SER 2 2HB SER 2 -17.915 2.635 15.437 8 HG SER 2 HG SER 2 -18.796 4.763 16.975 9 H SER 3 H SER 3 -17.237 1.668 19.168 10 HA SER 3 HA SER 3 -19.084 2.082 21.291 11 HB2 SER 3 1HB SER 3 -16.057 2.128 21.260 12 HB3 SER 3 2HB SER 3 -17.042 2.164 22.723 13 HG SER 3 HG SER 3 -16.521 0.049 22.366 14 H GLY 4 H GLY 4 -16.619 4.124 19.759 15 HA2 GLY 4 1HA GLY 4 -16.351 6.404 19.732 16 HA3 GLY 4 2HA GLY 4 -18.051 6.511 20.161 17 H SER 5 H SER 5 -14.805 6.090 21.493 18 HA SER 5 HA SER 5 -15.601 7.652 23.819 19 HB2 SER 5 1HB SER 5 -14.525 4.835 23.976 20 HB3 SER 5 2HB SER 5 -14.435 5.962 25.329 21 HG SER 5 HG SER 5 -16.307 4.816 25.579 22 H SER 6 H SER 6 -14.027 8.987 24.497 23 HA SER 6 HA SER 6 -11.240 8.418 23.922 24 HB2 SER 6 1HB SER 6 -10.856 10.516 22.718 25 HB3 SER 6 2HB SER 6 -12.030 9.521 21.857 26 HG SER 6 HG SER 6 -12.334 11.982 23.018 27 H GLY 7 H GLY 7 -9.837 10.300 24.753 28 HA2 GLY 7 1HA GLY 7 -11.092 11.421 27.182 29 HA3 GLY 7 2HA GLY 7 -9.480 10.722 27.196 30 H HIS 8 H HIS 8 -10.892 12.828 24.732 31 HA HIS 8 HA HIS 8 -9.639 15.205 25.635 32 HB2 HIS 8 1HB HIS 8 -8.014 15.350 23.671 33 HB3 HIS 8 2HB HIS 8 -7.557 14.284 24.996 34 HD1 HIS 8 1HD HIS 8 -7.738 14.352 21.434 35 HD2 HIS 8 2HD HIS 8 -8.372 11.455 24.344 36 HE1 HIS 8 1HE HIS 8 -7.569 12.148 20.236 37 H PHE 9 H PHE 9 -9.501 16.821 23.650 38 HA PHE 9 HA PHE 9 -12.043 17.355 22.788 39 HB2 PHE 9 1HB PHE 9 -9.482 18.033 21.326 40 HB3 PHE 9 2HB PHE 9 -11.037 18.827 21.094 41 HD1 PHE 9 2HD PHE 9 -8.205 18.371 23.380 42 HD2 PHE 9 1HD PHE 9 -11.856 20.437 22.661 43 HE1 PHE 9 2HE PHE 9 -7.651 19.965 25.170 44 HE2 PHE 9 1HE PHE 9 -11.308 22.036 24.449 45 HZ PHE 9 HZ PHE 9 -9.204 21.800 25.707 46 HA PRO 10 HA PRO 10 -13.007 14.416 19.658 47 HB2 PRO 10 1HB PRO 10 -14.914 15.816 18.325 48 HB3 PRO 10 2HB PRO 10 -15.190 15.087 19.912 49 HG2 PRO 10 1HG PRO 10 -14.536 17.925 19.219 50 HG3 PRO 10 2HG PRO 10 -15.716 17.302 20.386 51 HD2 PRO 10 1HD PRO 10 -13.284 18.231 21.129 52 HD3 PRO 10 2HD PRO 10 -14.112 16.922 21.997 53 H ALA 11 H ALA 11 -11.232 17.126 19.137 54 HA ALA 11 HA ALA 11 -10.120 18.051 17.367 55 HB1 ALA 11 1HB ALA 11 -8.777 16.195 17.286 56 HB2 ALA 11 2HB ALA 11 -10.108 15.114 16.871 57 HB3 ALA 11 3HB ALA 11 -9.434 16.192 15.649 58 H ARG 12 H ARG 12 -12.640 18.762 17.068 59 HA ARG 12 HA ARG 12 -13.463 18.043 14.345 60 HB2 ARG 12 1HB ARG 12 -14.886 19.091 16.745 61 HB3 ARG 12 2HB ARG 12 -15.508 19.534 15.161 62 HG2 ARG 12 1HG ARG 12 -15.791 17.214 14.573 63 HG3 ARG 12 2HG ARG 12 -15.046 16.709 16.090 64 HD2 ARG 12 1HD ARG 12 -17.663 18.152 15.717 65 HD3 ARG 12 2HD ARG 12 -17.416 16.517 16.330 66 HE ARG 12 HE ARG 12 -16.828 17.394 18.386 67 HH11 ARG 12 1HH1 ARG 12 -17.146 19.936 16.029 68 HH12 ARG 12 2HH1 ARG 12 -17.107 21.208 17.204 69 HH21 ARG 12 1HH2 ARG 12 -16.776 19.060 19.943 70 HH22 ARG 12 2HH2 ARG 12 -16.896 20.709 19.430 71 H VAL 13 H VAL 13 -11.216 19.641 14.508 72 HA VAL 13 HA VAL 13 -12.195 22.333 13.834 73 HB VAL 13 HB VAL 13 -9.407 21.436 14.574 74 HG11 VAL 13 1HG1 VAL 13 -10.450 23.911 13.374 75 HG12 VAL 13 2HG1 VAL 13 -9.359 24.132 14.743 76 HG13 VAL 13 3HG1 VAL 13 -8.828 23.221 13.328 77 HG21 VAL 13 1HG2 VAL 13 -10.208 21.611 16.654 78 HG22 VAL 13 2HG2 VAL 13 -10.215 23.352 16.374 79 HG23 VAL 13 3HG2 VAL 13 -11.683 22.411 16.111 80 H LYS 14 H LYS 14 -12.029 23.081 11.813 81 HA LYS 14 HA LYS 14 -11.539 21.444 9.634 82 HB2 LYS 14 1HB LYS 14 -12.784 23.540 9.469 83 HB3 LYS 14 2HB LYS 14 -11.319 24.455 9.799 84 HG2 LYS 14 1HG LYS 14 -11.564 24.611 7.497 85 HG3 LYS 14 2HG LYS 14 -10.375 23.323 7.701 86 HD2 LYS 14 1HD LYS 14 -11.802 22.381 6.156 87 HD3 LYS 14 2HD LYS 14 -12.483 21.775 7.667 88 HE2 LYS 14 1HE LYS 14 -14.322 22.539 6.413 89 HE3 LYS 14 2HE LYS 14 -14.019 23.796 7.612 90 HZ1 LYS 14 1HZ LYS 14 -14.207 24.138 4.901 91 HZ2 LYS 14 2HZ LYS 14 -12.549 24.251 5.214 92 HZ3 LYS 14 3HZ LYS 14 -13.632 25.272 6.018 93 H VAL 15 H VAL 15 -9.732 20.543 8.922 94 HA VAL 15 HA VAL 15 -7.168 21.877 9.490 95 HB VAL 15 HB VAL 15 -7.417 19.635 10.493 96 HG11 VAL 15 1HG1 VAL 15 -7.962 17.754 9.346 97 HG12 VAL 15 2HG1 VAL 15 -8.795 18.926 8.322 98 HG13 VAL 15 3HG1 VAL 15 -7.209 18.312 7.853 99 HG21 VAL 15 1HG2 VAL 15 -5.373 18.704 8.909 100 HG22 VAL 15 2HG2 VAL 15 -5.315 20.446 8.644 101 HG23 VAL 15 3HG2 VAL 15 -5.197 19.799 10.280 102 H GLU 16 H GLU 16 -5.971 22.594 7.847 103 HA GLU 16 HA GLU 16 -6.792 21.857 5.120 104 HB2 GLU 16 1HB GLU 16 -5.495 24.325 6.251 105 HB3 GLU 16 2HB GLU 16 -5.451 23.973 4.530 106 HG2 GLU 16 1HG GLU 16 -8.033 23.732 4.804 107 HG3 GLU 16 2HG GLU 16 -7.767 24.694 6.256 108 HA PRO 17 HA PRO 17 -2.978 19.669 4.672 109 HB2 PRO 17 1HB PRO 17 -3.032 19.415 1.969 110 HB3 PRO 17 2HB PRO 17 -4.055 18.456 3.045 111 HG2 PRO 17 1HG PRO 17 -4.736 20.913 1.477 112 HG3 PRO 17 2HG PRO 17 -5.683 19.431 1.701 113 HD2 PRO 17 1HD PRO 17 -6.173 21.698 3.098 114 HD3 PRO 17 2HD PRO 17 -6.443 20.080 3.778 115 H ALA 18 H ALA 18 -0.940 20.373 4.600 116 HA ALA 18 HA ALA 18 -0.379 22.927 3.281 117 HB1 ALA 18 1HB ALA 18 0.215 22.671 5.663 118 HB2 ALA 18 2HB ALA 18 1.337 21.383 5.220 119 HB3 ALA 18 3HB ALA 18 1.610 23.028 4.644 120 H VAL 19 H VAL 19 -0.541 20.075 2.090 121 HA VAL 19 HA VAL 19 1.804 20.402 0.388 122 HB VAL 19 HB VAL 19 2.454 18.802 2.196 123 HG11 VAL 19 1HG1 VAL 19 1.011 16.542 1.118 124 HG12 VAL 19 2HG1 VAL 19 1.170 17.083 2.791 125 HG13 VAL 19 3HG1 VAL 19 -0.090 17.762 1.759 126 HG21 VAL 19 1HG2 VAL 19 3.662 17.453 0.765 127 HG22 VAL 19 2HG2 VAL 19 2.326 17.281 -0.373 128 HG23 VAL 19 3HG2 VAL 19 3.227 18.795 -0.294 129 H ASP 20 H ASP 20 1.659 19.209 -1.615 130 HA ASP 20 HA ASP 20 -0.993 19.200 -2.669 131 HB2 ASP 20 1HB ASP 20 1.697 18.456 -3.804 132 HB3 ASP 20 2HB ASP 20 0.212 18.243 -4.726 133 H THR 21 H THR 21 1.435 16.585 -2.598 134 HA THR 21 HA THR 21 1.157 14.310 -2.725 135 HB THR 21 HB THR 21 -0.565 13.534 -0.880 136 HG1 THR 21 1HG THR 21 -1.590 15.297 -0.216 137 HG21 THR 21 1HG2 THR 21 2.175 14.550 -0.779 138 HG22 THR 21 2HG2 THR 21 1.491 13.069 -0.109 139 HG23 THR 21 3HG2 THR 21 1.354 14.585 0.781 140 H SER 22 H SER 22 -0.199 15.347 -4.802 141 HA SER 22 HA SER 22 -2.682 13.762 -4.850 142 HB2 SER 22 1HB SER 22 -2.973 16.311 -4.858 143 HB3 SER 22 2HB SER 22 -2.287 16.268 -6.481 144 HG SER 22 HG SER 22 -4.680 16.126 -6.232 145 H ARG 23 H ARG 23 0.377 13.976 -5.982 146 HA ARG 23 HA ARG 23 -0.328 12.573 -8.472 147 HB2 ARG 23 1HB ARG 23 1.833 14.640 -8.059 148 HB3 ARG 23 2HB ARG 23 1.777 13.569 -9.452 149 HG2 ARG 23 1HG ARG 23 -0.328 14.502 -10.149 150 HG3 ARG 23 2HG ARG 23 -0.411 15.489 -8.689 151 HD2 ARG 23 1HD ARG 23 1.673 16.628 -9.400 152 HD3 ARG 23 2HD ARG 23 1.627 15.702 -10.900 153 HE ARG 23 HE ARG 23 -0.004 17.107 -11.677 154 HH11 ARG 23 1HH1 ARG 23 0.313 17.517 -8.235 155 HH12 ARG 23 2HH1 ARG 23 -0.739 18.892 -8.170 156 HH21 ARG 23 1HH2 ARG 23 -1.391 18.916 -11.605 157 HH22 ARG 23 2HH2 ARG 23 -1.709 19.686 -10.088 158 H ILE 24 H ILE 24 0.490 11.760 -5.674 159 HA ILE 24 HA ILE 24 3.109 10.606 -5.971 160 HB ILE 24 HB ILE 24 0.986 10.213 -3.862 161 HG12 ILE 24 1HG1 ILE 24 3.526 11.837 -4.000 162 HG13 ILE 24 2HG1 ILE 24 1.885 12.419 -3.740 163 HG21 ILE 24 1HG2 ILE 24 3.156 8.535 -4.461 164 HG22 ILE 24 2HG2 ILE 24 3.616 9.447 -3.024 165 HG23 ILE 24 3HG2 ILE 24 2.128 8.501 -3.029 166 HD11 ILE 24 1HD1 ILE 24 3.776 11.150 -1.842 167 HD12 ILE 24 2HD1 ILE 24 2.687 12.520 -1.617 168 HD13 ILE 24 3HD1 ILE 24 2.049 10.876 -1.613 169 H LYS 25 H LYS 25 3.545 8.799 -7.030 170 HA LYS 25 HA LYS 25 1.387 6.833 -7.419 171 HB2 LYS 25 1HB LYS 25 3.745 7.602 -9.120 172 HB3 LYS 25 2HB LYS 25 2.937 6.054 -9.336 173 HG2 LYS 25 1HG LYS 25 1.004 7.019 -10.129 174 HG3 LYS 25 2HG LYS 25 1.329 8.566 -9.344 175 HD2 LYS 25 1HD LYS 25 3.220 8.901 -10.928 176 HD3 LYS 25 2HD LYS 25 2.727 7.426 -11.762 177 HE2 LYS 25 1HE LYS 25 0.440 8.527 -12.000 178 HE3 LYS 25 2HE LYS 25 1.233 10.023 -11.511 179 HZ1 LYS 25 1HZ LYS 25 2.805 8.911 -13.500 180 HZ2 LYS 25 2HZ LYS 25 1.831 10.290 -13.612 181 HZ3 LYS 25 3HZ LYS 25 1.209 8.778 -14.046 182 H VAL 26 H VAL 26 1.803 4.642 -7.112 183 HA VAL 26 HA VAL 26 4.384 3.954 -5.882 184 HB VAL 26 HB VAL 26 3.302 2.617 -4.182 185 HG11 VAL 26 1HG1 VAL 26 1.759 5.115 -3.871 186 HG12 VAL 26 2HG1 VAL 26 2.903 4.340 -2.773 187 HG13 VAL 26 3HG1 VAL 26 3.493 5.294 -4.135 188 HG21 VAL 26 1HG2 VAL 26 0.776 2.894 -3.908 189 HG22 VAL 26 2HG2 VAL 26 0.778 3.445 -5.584 190 HG23 VAL 26 3HG2 VAL 26 1.339 1.820 -5.189 191 H PHE 27 H PHE 27 5.302 2.266 -6.833 192 HA PHE 27 HA PHE 27 3.576 0.286 -8.164 193 HB2 PHE 27 1HB PHE 27 5.596 0.037 -9.770 194 HB3 PHE 27 2HB PHE 27 4.513 1.407 -9.987 195 HD1 PHE 27 1HD PHE 27 5.227 3.658 -9.452 196 HD2 PHE 27 2HD PHE 27 7.848 0.339 -8.964 197 HE1 PHE 27 1HE PHE 27 7.138 5.197 -9.271 198 HE2 PHE 27 2HE PHE 27 9.762 1.873 -8.781 199 HZ PHE 27 HZ PHE 27 9.409 4.306 -8.934 200 H GLY 28 H GLY 28 4.178 -1.859 -8.011 201 HA2 GLY 28 1HA GLY 28 6.241 -3.304 -7.513 202 HA3 GLY 28 2HA GLY 28 6.265 -2.403 -6.005 203 HA PRO 29 HA PRO 29 3.493 -6.266 -5.825 204 HB2 PRO 29 1HB PRO 29 5.123 -7.845 -4.336 205 HB3 PRO 29 2HB PRO 29 5.142 -7.841 -6.104 206 HG2 PRO 29 1HG PRO 29 6.974 -6.452 -4.187 207 HG3 PRO 29 2HG PRO 29 7.370 -7.334 -5.673 208 HD2 PRO 29 1HD PRO 29 7.242 -4.631 -5.573 209 HD3 PRO 29 2HD PRO 29 6.812 -5.554 -7.027 210 H GLY 30 H GLY 30 5.675 -4.811 -3.436 211 HA2 GLY 30 1HA GLY 30 4.340 -5.571 -1.108 212 HA3 GLY 30 2HA GLY 30 5.315 -4.119 -1.278 213 H ILE 31 H ILE 31 3.341 -3.387 -3.545 214 HA ILE 31 HA ILE 31 1.223 -2.365 -1.766 215 HB ILE 31 HB ILE 31 2.889 -0.664 -2.684 216 HG12 ILE 31 1HG1 ILE 31 1.042 0.960 -3.250 217 HG13 ILE 31 2HG1 ILE 31 -0.080 -0.395 -3.186 218 HG21 ILE 31 1HG2 ILE 31 2.250 -1.909 -5.094 219 HG22 ILE 31 2HG2 ILE 31 1.468 -0.331 -5.171 220 HG23 ILE 31 3HG2 ILE 31 3.203 -0.441 -4.874 221 HD11 ILE 31 1HD1 ILE 31 0.352 1.187 -1.114 222 HD12 ILE 31 2HD1 ILE 31 0.007 -0.533 -0.925 223 HD13 ILE 31 3HD1 ILE 31 1.670 0.048 -0.839 224 H GLU 32 H GLU 32 2.002 -4.002 -4.690 225 HA GLU 32 HA GLU 32 -0.667 -3.723 -5.802 226 HB2 GLU 32 1HB GLU 32 1.819 -5.152 -6.731 227 HB3 GLU 32 2HB GLU 32 0.277 -5.309 -7.560 228 HG2 GLU 32 1HG GLU 32 1.308 -2.577 -7.033 229 HG3 GLU 32 2HG GLU 32 2.083 -3.536 -8.293 230 H GLY 33 H GLY 33 1.422 -6.431 -4.777 231 HA2 GLY 33 1HA GLY 33 0.460 -8.052 -3.199 232 HA3 GLY 33 2HA GLY 33 -1.044 -7.910 -4.096 233 H LYS 34 H LYS 34 2.215 -8.205 -5.427 234 HA LYS 34 HA LYS 34 1.333 -10.549 -6.926 235 HB2 LYS 34 1HB LYS 34 4.047 -9.336 -7.245 236 HB3 LYS 34 2HB LYS 34 3.014 -10.093 -8.451 237 HG2 LYS 34 1HG LYS 34 1.498 -7.970 -7.845 238 HG3 LYS 34 2HG LYS 34 3.095 -7.302 -7.501 239 HD2 LYS 34 1HD LYS 34 3.806 -7.535 -9.693 240 HD3 LYS 34 2HD LYS 34 2.614 -8.786 -10.053 241 HE2 LYS 34 1HE LYS 34 0.834 -7.138 -9.999 242 HE3 LYS 34 2HE LYS 34 1.982 -5.880 -9.544 243 HZ1 LYS 34 1HZ LYS 34 1.233 -6.373 -12.054 244 HZ2 LYS 34 2HZ LYS 34 2.623 -7.333 -11.969 245 HZ3 LYS 34 3HZ LYS 34 2.719 -5.676 -11.641 246 H ASP 35 H ASP 35 4.452 -9.699 -5.427 247 HA ASP 35 HA ASP 35 4.745 -12.506 -4.625 248 HB2 ASP 35 1HB ASP 35 6.798 -10.291 -4.816 249 HB3 ASP 35 2HB ASP 35 7.141 -11.946 -4.322 250 H VAL 36 H VAL 36 3.015 -10.716 -3.172 251 HA VAL 36 HA VAL 36 4.452 -10.085 -0.720 252 HB VAL 36 HB VAL 36 1.487 -9.798 -1.157 253 HG11 VAL 36 1HG1 VAL 36 2.400 -7.704 0.372 254 HG12 VAL 36 2HG1 VAL 36 1.641 -9.174 0.984 255 HG13 VAL 36 3HG1 VAL 36 3.399 -9.053 0.910 256 HG21 VAL 36 1HG2 VAL 36 2.078 -7.397 -1.758 257 HG22 VAL 36 2HG2 VAL 36 3.716 -7.986 -2.044 258 HG23 VAL 36 3HG2 VAL 36 2.372 -8.621 -2.993 259 H PHE 37 H PHE 37 3.851 -12.889 -1.748 260 HA PHE 37 HA PHE 37 1.948 -14.242 -0.340 261 HB2 PHE 37 1HB PHE 37 4.744 -15.336 -0.560 262 HB3 PHE 37 2HB PHE 37 3.216 -16.206 -0.652 263 HD1 PHE 37 1HD PHE 37 1.640 -15.326 -2.635 264 HD2 PHE 37 2HD PHE 37 5.885 -15.032 -2.518 265 HE1 PHE 37 1HE PHE 37 1.693 -15.162 -5.089 266 HE2 PHE 37 2HE PHE 37 5.944 -14.867 -4.972 267 HZ PHE 37 HZ PHE 37 3.847 -14.931 -6.261 268 H ARG 38 H ARG 38 1.872 -15.340 1.661 269 HA ARG 38 HA ARG 38 2.654 -13.882 3.886 270 HB2 ARG 38 1HB ARG 38 0.892 -15.739 3.695 271 HB3 ARG 38 2HB ARG 38 2.220 -16.860 3.961 272 HG2 ARG 38 1HG ARG 38 2.711 -15.680 6.092 273 HG3 ARG 38 2HG ARG 38 1.259 -14.711 5.834 274 HD2 ARG 38 1HD ARG 38 -0.141 -16.631 5.966 275 HD3 ARG 38 2HD ARG 38 1.245 -17.720 5.916 276 HE ARG 38 HE ARG 38 1.297 -15.931 8.156 277 HH11 ARG 38 1HH1 ARG 38 0.043 -18.948 6.954 278 HH12 ARG 38 2HH1 ARG 38 -0.168 -19.638 8.529 279 HH21 ARG 38 1HH2 ARG 38 1.025 -16.829 10.235 280 HH22 ARG 38 2HH2 ARG 38 0.390 -18.431 10.394 281 H GLU 39 H GLU 39 4.354 -13.946 5.291 282 HA GLU 39 HA GLU 39 6.480 -14.279 6.029 283 HB2 GLU 39 1HB GLU 39 5.905 -17.007 4.883 284 HB3 GLU 39 2HB GLU 39 7.415 -16.626 5.699 285 HG2 GLU 39 1HG GLU 39 4.754 -16.187 7.007 286 HG3 GLU 39 2HG GLU 39 5.581 -17.743 7.063 287 H ALA 40 H ALA 40 5.983 -13.203 3.347 288 HA ALA 40 HA ALA 40 8.538 -13.933 2.068 289 HB1 ALA 40 1HB ALA 40 6.275 -12.667 0.571 290 HB2 ALA 40 2HB ALA 40 7.623 -13.626 -0.043 291 HB3 ALA 40 3HB ALA 40 6.315 -14.409 0.844 292 H THR 41 H THR 41 9.826 -12.271 1.227 293 HA THR 41 HA THR 41 9.537 -9.743 2.614 294 HB THR 41 HB THR 41 11.726 -10.678 0.747 295 HG1 THR 41 1HG THR 41 11.859 -10.480 3.574 296 HG21 THR 41 1HG2 THR 41 12.552 -8.614 0.871 297 HG22 THR 41 2HG2 THR 41 12.579 -8.722 2.632 298 HG23 THR 41 3HG2 THR 41 11.146 -8.108 1.807 299 H THR 42 H THR 42 8.015 -8.471 1.693 300 HA THR 42 HA THR 42 8.289 -7.908 -1.188 301 HB THR 42 HB THR 42 6.124 -8.983 -0.513 302 HG1 THR 42 1HG THR 42 6.531 -7.190 -2.237 303 HG21 THR 42 1HG2 THR 42 5.851 -6.411 1.031 304 HG22 THR 42 2HG2 THR 42 5.701 -8.063 1.630 305 HG23 THR 42 3HG2 THR 42 4.465 -7.396 0.564 306 H ASP 43 H ASP 43 8.333 -5.797 -1.873 307 HA ASP 43 HA ASP 43 7.955 -3.645 0.043 308 HB2 ASP 43 1HB ASP 43 10.165 -2.651 -0.410 309 HB3 ASP 43 2HB ASP 43 10.304 -4.224 0.370 310 H PHE 44 H PHE 44 7.834 -1.548 -0.950 311 HA PHE 44 HA PHE 44 7.421 -1.641 -3.864 312 HB2 PHE 44 1HB PHE 44 5.557 -0.010 -3.539 313 HB3 PHE 44 2HB PHE 44 5.240 -1.592 -2.834 314 HD1 PHE 44 2HD PHE 44 5.438 -1.896 -0.370 315 HD2 PHE 44 1HD PHE 44 5.614 1.937 -2.214 316 HE1 PHE 44 2HE PHE 44 4.966 -0.834 1.798 317 HE2 PHE 44 1HE PHE 44 5.143 3.004 -0.048 318 HZ PHE 44 HZ PHE 44 4.817 1.619 1.962 319 H THR 45 H THR 45 7.279 0.688 -4.761 320 HA THR 45 HA THR 45 9.310 2.364 -3.437 321 HB THR 45 HB THR 45 9.042 2.026 -6.428 322 HG1 THR 45 1HG THR 45 10.992 0.929 -4.658 323 HG21 THR 45 1HG2 THR 45 11.404 3.147 -4.964 324 HG22 THR 45 2HG2 THR 45 10.016 4.170 -5.336 325 HG23 THR 45 3HG2 THR 45 10.912 3.391 -6.639 326 H VAL 46 H VAL 46 8.726 4.411 -3.103 327 HA VAL 46 HA VAL 46 6.259 5.373 -4.373 328 HB VAL 46 HB VAL 46 7.692 6.417 -1.926 329 HG11 VAL 46 1HG1 VAL 46 6.256 7.986 -3.448 330 HG12 VAL 46 2HG1 VAL 46 4.901 7.156 -2.680 331 HG13 VAL 46 3HG1 VAL 46 6.072 8.034 -1.695 332 HG21 VAL 46 1HG2 VAL 46 6.677 4.751 -0.855 333 HG22 VAL 46 2HG2 VAL 46 5.138 5.516 -1.252 334 HG23 VAL 46 3HG2 VAL 46 5.803 4.271 -2.309 335 H ASP 47 H ASP 47 6.432 6.762 -5.992 336 HA ASP 47 HA ASP 47 8.939 8.197 -6.404 337 HB2 ASP 47 1HB ASP 47 7.531 6.877 -8.199 338 HB3 ASP 47 2HB ASP 47 6.623 8.384 -8.288 339 H SER 48 H SER 48 9.192 10.253 -5.854 340 HA SER 48 HA SER 48 6.823 11.985 -5.687 341 HB2 SER 48 1HB SER 48 7.967 13.049 -3.652 342 HB3 SER 48 2HB SER 48 7.205 11.477 -3.409 343 HG SER 48 HG SER 48 9.669 10.996 -4.174 344 H ARG 49 H ARG 49 7.059 13.867 -6.709 345 HA ARG 49 HA ARG 49 9.781 14.686 -7.482 346 HB2 ARG 49 1HB ARG 49 7.226 14.576 -8.957 347 HB3 ARG 49 2HB ARG 49 8.181 16.030 -9.217 348 HG2 ARG 49 1HG ARG 49 9.899 14.889 -10.225 349 HG3 ARG 49 2HG ARG 49 9.504 13.369 -9.420 350 HD2 ARG 49 1HD ARG 49 7.518 13.134 -10.809 351 HD3 ARG 49 2HD ARG 49 7.865 14.677 -11.588 352 HE ARG 49 HE ARG 49 10.082 12.972 -11.876 353 HH11 ARG 49 1HH1 ARG 49 6.805 13.338 -12.994 354 HH12 ARG 49 2HH1 ARG 49 7.096 12.551 -14.510 355 HH21 ARG 49 1HH2 ARG 49 10.478 11.934 -13.868 356 HH22 ARG 49 2HH2 ARG 49 9.186 11.752 -15.006 357 HA PRO 50 HA PRO 50 7.640 18.875 -6.577 358 HB2 PRO 50 1HB PRO 50 4.970 18.895 -6.086 359 HB3 PRO 50 2HB PRO 50 5.648 19.007 -7.714 360 HG2 PRO 50 1HG PRO 50 4.526 16.626 -6.289 361 HG3 PRO 50 2HG PRO 50 4.286 17.139 -7.969 362 HD2 PRO 50 1HD PRO 50 6.019 15.176 -7.278 363 HD3 PRO 50 2HD PRO 50 6.302 16.258 -8.658 364 H LEU 51 H LEU 51 7.479 16.108 -4.790 365 HA LEU 51 HA LEU 51 6.722 17.497 -2.313 366 HB2 LEU 51 1HB LEU 51 7.147 14.540 -2.610 367 HB3 LEU 51 2HB LEU 51 6.269 15.400 -1.346 368 HG LEU 51 HG LEU 51 5.394 14.944 -4.195 369 HD11 LEU 51 1HD1 LEU 51 3.523 13.771 -3.098 370 HD12 LEU 51 2HD1 LEU 51 4.308 14.020 -1.539 371 HD13 LEU 51 3HD1 LEU 51 5.085 13.022 -2.767 372 HD21 LEU 51 1HD2 LEU 51 4.872 17.242 -3.151 373 HD22 LEU 51 2HD2 LEU 51 3.767 16.348 -2.106 374 HD23 LEU 51 3HD2 LEU 51 3.547 16.315 -3.857 375 H THR 52 H THR 52 9.218 15.414 -3.725 376 HA THR 52 HA THR 52 11.156 16.576 -1.863 377 HB THR 52 HB THR 52 10.358 14.343 -0.974 378 HG1 THR 52 1HG THR 52 12.570 13.657 -0.594 379 HG21 THR 52 1HG2 THR 52 12.085 13.063 -3.049 380 HG22 THR 52 2HG2 THR 52 10.396 13.406 -3.426 381 HG23 THR 52 3HG2 THR 52 10.801 12.360 -2.065 382 H GLN 53 H GLN 53 13.427 16.075 -2.523 383 HA GLN 53 HA GLN 53 13.656 15.662 -5.427 384 HB2 GLN 53 1HB GLN 53 15.183 17.718 -3.822 385 HB3 GLN 53 2HB GLN 53 15.329 17.429 -5.550 386 HG2 GLN 53 1HG GLN 53 12.763 18.287 -4.248 387 HG3 GLN 53 2HG GLN 53 13.959 19.424 -4.868 388 HE21 GLN 53 1HE2 GLN 53 11.297 17.501 -5.602 389 HE22 GLN 53 2HE2 GLN 53 11.327 17.673 -7.321 390 H VAL 54 H VAL 54 15.180 15.501 -2.262 391 HA VAL 54 HA VAL 54 17.060 13.510 -3.348 392 HB VAL 54 HB VAL 54 18.792 14.262 -1.850 393 HG11 VAL 54 1HG1 VAL 54 17.663 15.918 -3.917 394 HG12 VAL 54 2HG1 VAL 54 18.494 16.903 -2.711 395 HG13 VAL 54 3HG1 VAL 54 19.354 15.601 -3.533 396 HG21 VAL 54 1HG2 VAL 54 18.452 15.525 -0.041 397 HG22 VAL 54 2HG2 VAL 54 17.551 16.734 -0.955 398 HG23 VAL 54 3HG2 VAL 54 16.728 15.301 -0.339 399 H GLY 55 H GLY 55 14.555 12.881 -2.255 400 HA2 GLY 55 1HA GLY 55 13.645 11.375 -0.779 401 HA3 GLY 55 2HA GLY 55 15.288 10.952 -0.323 402 H GLY 56 H GLY 56 13.257 10.965 1.545 403 HA2 GLY 56 1HA GLY 56 14.324 12.843 3.451 404 HA3 GLY 56 2HA GLY 56 12.668 13.197 2.982 405 H ASP 57 H ASP 57 12.508 12.838 5.409 406 HA ASP 57 HA ASP 57 11.967 9.984 5.910 407 HB2 ASP 57 1HB ASP 57 12.887 12.056 7.916 408 HB3 ASP 57 2HB ASP 57 12.501 10.376 8.279 409 H HIS 58 H HIS 58 10.100 11.769 4.778 410 HA HIS 58 HA HIS 58 8.225 12.235 6.998 411 HB2 HIS 58 1HB HIS 58 8.652 13.581 4.368 412 HB3 HIS 58 2HB HIS 58 7.024 13.557 5.038 413 HD1 HIS 58 1HD HIS 58 6.593 15.722 6.132 414 HD2 HIS 58 2HD HIS 58 10.490 14.430 6.769 415 HE1 HIS 58 1HE HIS 58 7.641 17.456 7.621 416 H ILE 59 H ILE 59 8.792 9.671 5.604 417 HA ILE 59 HA ILE 59 6.117 9.167 4.476 418 HB ILE 59 HB ILE 59 8.708 7.702 3.973 419 HG12 ILE 59 1HG1 ILE 59 8.570 9.769 2.726 420 HG13 ILE 59 2HG1 ILE 59 8.293 8.426 1.622 421 HG21 ILE 59 1HG2 ILE 59 6.111 6.662 3.942 422 HG22 ILE 59 2HG2 ILE 59 6.539 6.931 2.254 423 HG23 ILE 59 3HG2 ILE 59 7.568 5.928 3.274 424 HD11 ILE 59 1HD1 ILE 59 6.505 9.549 0.942 425 HD12 ILE 59 2HD1 ILE 59 5.760 9.093 2.474 426 HD13 ILE 59 3HD1 ILE 59 6.575 10.649 2.318 427 H LYS 60 H LYS 60 4.795 7.915 5.610 428 HA LYS 60 HA LYS 60 5.935 5.950 7.473 429 HB2 LYS 60 1HB LYS 60 5.327 7.802 8.869 430 HB3 LYS 60 2HB LYS 60 3.769 7.967 8.069 431 HG2 LYS 60 1HG LYS 60 3.205 6.922 10.041 432 HG3 LYS 60 2HG LYS 60 3.350 5.560 8.927 433 HD2 LYS 60 1HD LYS 60 5.610 5.126 9.737 434 HD3 LYS 60 2HD LYS 60 5.495 6.509 10.828 435 HE2 LYS 60 1HE LYS 60 3.625 4.148 10.912 436 HE3 LYS 60 2HE LYS 60 5.086 4.271 11.890 437 HZ1 LYS 60 1HZ LYS 60 3.151 6.472 11.973 438 HZ2 LYS 60 2HZ LYS 60 4.197 5.914 13.179 439 HZ3 LYS 60 3HZ LYS 60 2.789 5.050 12.814 440 H ALA 61 H ALA 61 4.926 4.011 7.510 441 HA ALA 61 HA ALA 61 2.370 3.765 6.069 442 HB1 ALA 61 1HB ALA 61 4.467 1.632 5.901 443 HB2 ALA 61 2HB ALA 61 3.082 1.920 4.846 444 HB3 ALA 61 3HB ALA 61 4.472 3.004 4.791 445 H HIS 62 H HIS 62 0.929 2.235 6.842 446 HA HIS 62 HA HIS 62 1.711 0.685 9.200 447 HB2 HIS 62 1HB HIS 62 0.741 2.768 10.061 448 HB3 HIS 62 2HB HIS 62 -0.707 2.502 9.093 449 HD1 HIS 62 1HD HIS 62 0.741 1.800 12.355 450 HD2 HIS 62 2HD HIS 62 -2.205 0.135 9.945 451 HE1 HIS 62 1HE HIS 62 -0.621 0.330 13.875 452 H ILE 63 H ILE 63 1.368 -1.331 8.515 453 HA ILE 63 HA ILE 63 -0.782 -1.965 6.692 454 HB ILE 63 HB ILE 63 1.221 -3.762 8.063 455 HG12 ILE 63 1HG1 ILE 63 1.194 -3.162 5.133 456 HG13 ILE 63 2HG1 ILE 63 1.869 -1.968 6.236 457 HG21 ILE 63 1HG2 ILE 63 0.512 -5.487 6.512 458 HG22 ILE 63 2HG2 ILE 63 -0.853 -4.939 7.482 459 HG23 ILE 63 3HG2 ILE 63 -0.683 -4.395 5.813 460 HD11 ILE 63 1HD1 ILE 63 3.398 -3.707 7.103 461 HD12 ILE 63 2HD1 ILE 63 2.775 -4.812 5.876 462 HD13 ILE 63 3HD1 ILE 63 3.630 -3.347 5.392 463 H ALA 64 H ALA 64 -2.495 -3.403 7.110 464 HA ALA 64 HA ALA 64 -3.050 -3.970 9.939 465 HB1 ALA 64 1HB ALA 64 -4.369 -2.074 9.642 466 HB2 ALA 64 2HB ALA 64 -4.818 -2.527 7.997 467 HB3 ALA 64 3HB ALA 64 -5.491 -3.407 9.369 468 H ASN 65 H ASN 65 -2.970 -6.134 9.977 469 HA ASN 65 HA ASN 65 -3.822 -7.748 7.760 470 HB2 ASN 65 1HB ASN 65 -2.856 -8.389 10.544 471 HB3 ASN 65 2HB ASN 65 -3.395 -9.640 9.429 472 HD21 ASN 65 1HD2 ASN 65 -0.750 -9.019 10.631 473 HD22 ASN 65 2HD2 ASN 65 0.334 -8.906 9.291 474 HA PRO 66 HA PRO 66 -8.027 -8.452 8.801 475 HB2 PRO 66 1HB PRO 66 -8.345 -11.042 8.051 476 HB3 PRO 66 2HB PRO 66 -8.170 -9.720 6.890 477 HG2 PRO 66 1HG PRO 66 -6.117 -11.666 7.871 478 HG3 PRO 66 2HG PRO 66 -6.409 -11.084 6.222 479 HD2 PRO 66 1HD PRO 66 -4.420 -10.109 7.779 480 HD3 PRO 66 2HD PRO 66 -5.270 -9.113 6.580 481 H SER 67 H SER 67 -5.520 -10.145 10.360 482 HA SER 67 HA SER 67 -7.253 -11.668 12.115 483 HB2 SER 67 1HB SER 67 -4.750 -12.149 11.247 484 HB3 SER 67 2HB SER 67 -4.376 -11.347 12.772 485 HG SER 67 HG SER 67 -5.270 -12.961 13.866 486 H GLY 68 H GLY 68 -5.769 -8.572 12.034 487 HA2 GLY 68 1HA GLY 68 -6.687 -6.917 13.588 488 HA3 GLY 68 2HA GLY 68 -6.583 -8.144 14.842 489 H ALA 69 H ALA 69 -3.877 -8.741 13.285 490 HA ALA 69 HA ALA 69 -2.282 -7.168 15.124 491 HB1 ALA 69 1HB ALA 69 -0.525 -8.620 14.667 492 HB2 ALA 69 2HB ALA 69 -1.949 -9.653 14.530 493 HB3 ALA 69 3HB ALA 69 -1.159 -9.044 13.076 494 H SER 70 H SER 70 -0.008 -6.556 13.988 495 HA SER 70 HA SER 70 -0.564 -5.094 11.507 496 HB2 SER 70 1HB SER 70 0.670 -3.113 12.488 497 HB3 SER 70 2HB SER 70 -0.923 -3.421 13.179 498 HG SER 70 HG SER 70 1.219 -3.126 14.531 499 H THR 71 H THR 71 0.990 -5.374 10.054 500 HA THR 71 HA THR 71 3.383 -6.814 10.752 501 HB THR 71 HB THR 71 2.618 -5.617 8.083 502 HG1 THR 71 1HG THR 71 1.124 -7.129 8.226 503 HG21 THR 71 1HG2 THR 71 4.166 -7.980 7.855 504 HG22 THR 71 2HG2 THR 71 4.983 -6.919 9.003 505 HG23 THR 71 3HG2 THR 71 4.604 -6.339 7.382 506 H GLU 72 H GLU 72 5.393 -6.039 11.023 507 HA GLU 72 HA GLU 72 5.802 -3.263 11.412 508 HB2 GLU 72 1HB GLU 72 7.030 -5.206 12.529 509 HB3 GLU 72 2HB GLU 72 7.989 -5.305 11.059 510 HG2 GLU 72 1HG GLU 72 8.995 -3.247 11.422 511 HG3 GLU 72 2HG GLU 72 7.741 -2.724 12.546 512 H CYS 73 H CYS 73 6.390 -1.720 10.034 513 HA CYS 73 HA CYS 73 7.147 -2.511 7.311 514 HB2 CYS 73 1HB CYS 73 6.443 -0.280 6.629 515 HB3 CYS 73 2HB CYS 73 5.161 -1.063 7.544 516 HG CYS 73 HG CYS 73 7.286 0.978 9.218 517 H PHE 74 H PHE 74 8.949 -1.655 6.288 518 HA PHE 74 HA PHE 74 10.827 -0.176 8.008 519 HB2 PHE 74 1HB PHE 74 11.494 -2.422 6.093 520 HB3 PHE 74 2HB PHE 74 12.674 -1.458 6.976 521 HD1 PHE 74 1HD PHE 74 9.757 -3.704 7.502 522 HD2 PHE 74 2HD PHE 74 13.399 -2.148 9.062 523 HE1 PHE 74 1HE PHE 74 9.614 -5.272 9.393 524 HE2 PHE 74 2HE PHE 74 13.262 -3.714 10.954 525 HZ PHE 74 HZ PHE 74 11.368 -5.279 11.121 526 H VAL 75 H VAL 75 10.666 1.819 7.132 527 HA VAL 75 HA VAL 75 10.535 2.216 4.275 528 HB VAL 75 HB VAL 75 10.814 4.229 6.512 529 HG11 VAL 75 1HG1 VAL 75 9.741 5.008 3.872 530 HG12 VAL 75 2HG1 VAL 75 10.744 5.916 5.005 531 HG13 VAL 75 3HG1 VAL 75 11.475 4.701 3.956 532 HG21 VAL 75 1HG2 VAL 75 8.586 4.218 6.745 533 HG22 VAL 75 2HG2 VAL 75 8.310 4.107 5.007 534 HG23 VAL 75 3HG2 VAL 75 8.653 2.650 5.940 535 H THR 76 H THR 76 12.151 2.782 2.931 536 HA THR 76 HA THR 76 14.776 3.424 4.089 537 HB THR 76 HB THR 76 14.292 1.461 1.839 538 HG1 THR 76 1HG THR 76 15.672 0.869 4.218 539 HG21 THR 76 1HG2 THR 76 16.825 2.622 2.985 540 HG22 THR 76 2HG2 THR 76 16.281 2.643 1.308 541 HG23 THR 76 3HG2 THR 76 16.794 1.128 2.050 542 H ASP 77 H ASP 77 15.171 5.440 3.447 543 HA ASP 77 HA ASP 77 14.173 6.427 0.911 544 HB2 ASP 77 1HB ASP 77 15.322 8.568 1.688 545 HB3 ASP 77 2HB ASP 77 13.988 7.987 2.682 546 H ASN 78 H ASN 78 15.297 6.564 -0.921 547 HA ASN 78 HA ASN 78 18.040 5.624 -0.953 548 HB2 ASN 78 1HB ASN 78 16.144 6.386 -3.184 549 HB3 ASN 78 2HB ASN 78 17.774 5.768 -3.436 550 HD21 ASN 78 1HD2 ASN 78 14.522 5.003 -2.768 551 HD22 ASN 78 2HD2 ASN 78 14.707 3.290 -2.647 552 H ALA 79 H ALA 79 16.894 8.449 -0.128 553 HA ALA 79 HA ALA 79 17.513 10.646 -0.305 554 HB1 ALA 79 1HB ALA 79 19.792 9.007 0.165 555 HB2 ALA 79 2HB ALA 79 20.276 10.367 -0.850 556 HB3 ALA 79 3HB ALA 79 19.488 10.661 0.701 557 H ASP 80 H ASP 80 16.742 9.318 -2.824 558 HA ASP 80 HA ASP 80 18.246 11.015 -4.708 559 HB2 ASP 80 1HB ASP 80 18.447 8.512 -5.031 560 HB3 ASP 80 2HB ASP 80 16.730 8.503 -5.425 561 H GLY 81 H GLY 81 15.106 9.950 -3.596 562 HA2 GLY 81 1HA GLY 81 13.602 12.096 -3.917 563 HA3 GLY 81 2HA GLY 81 13.739 11.587 -5.593 564 H THR 82 H THR 82 13.871 8.746 -4.209 565 HA THR 82 HA THR 82 10.944 8.447 -4.024 566 HB THR 82 HB THR 82 11.226 6.151 -4.907 567 HG1 THR 82 1HG THR 82 13.178 5.407 -5.483 568 HG21 THR 82 1HG2 THR 82 12.356 7.225 -7.202 569 HG22 THR 82 2HG2 THR 82 11.648 8.617 -6.381 570 HG23 THR 82 3HG2 THR 82 10.644 7.223 -6.781 571 H TYR 83 H TYR 83 10.303 6.401 -2.837 572 HA TYR 83 HA TYR 83 12.120 5.917 -0.569 573 HB2 TYR 83 1HB TYR 83 9.108 6.075 -0.385 574 HB3 TYR 83 2HB TYR 83 10.244 5.896 0.947 575 HD1 TYR 83 1HD TYR 83 8.889 8.229 -1.555 576 HD2 TYR 83 2HD TYR 83 11.427 7.792 1.832 577 HE1 TYR 83 1HE TYR 83 8.979 10.675 -1.314 578 HE2 TYR 83 2HE TYR 83 11.523 10.237 2.083 579 HH TYR 83 HH TYR 83 9.453 12.298 0.819 580 H GLN 84 H GLN 84 12.206 3.843 0.244 581 HA GLN 84 HA GLN 84 10.697 1.803 -1.254 582 HB2 GLN 84 1HB GLN 84 13.148 1.948 -1.834 583 HB3 GLN 84 2HB GLN 84 13.498 1.461 -0.180 584 HG2 GLN 84 1HG GLN 84 13.594 -0.564 -1.192 585 HG3 GLN 84 2HG GLN 84 11.877 -0.526 -0.793 586 HE21 GLN 84 1HE2 GLN 84 10.695 -1.296 -2.375 587 HE22 GLN 84 2HE2 GLN 84 10.969 -1.065 -4.065 588 H VAL 85 H VAL 85 9.269 0.886 0.056 589 HA VAL 85 HA VAL 85 9.988 0.494 2.885 590 HB VAL 85 HB VAL 85 7.237 0.592 1.639 591 HG11 VAL 85 1HG1 VAL 85 8.220 -0.266 4.254 592 HG12 VAL 85 2HG1 VAL 85 6.932 0.938 4.335 593 HG13 VAL 85 3HG1 VAL 85 6.674 -0.575 3.465 594 HG21 VAL 85 1HG2 VAL 85 8.883 2.710 2.114 595 HG22 VAL 85 2HG2 VAL 85 7.121 2.785 2.107 596 HG23 VAL 85 3HG2 VAL 85 7.989 2.605 3.631 597 H GLU 86 H GLU 86 10.209 -1.511 3.645 598 HA GLU 86 HA GLU 86 9.165 -3.737 2.020 599 HB2 GLU 86 1HB GLU 86 11.585 -3.651 1.827 600 HB3 GLU 86 2HB GLU 86 11.752 -3.603 3.576 601 HG2 GLU 86 1HG GLU 86 10.420 -5.870 3.423 602 HG3 GLU 86 2HG GLU 86 11.091 -5.881 1.793 603 H TYR 87 H TYR 87 8.071 -5.327 3.053 604 HA TYR 87 HA TYR 87 8.155 -5.535 5.948 605 HB2 TYR 87 1HB TYR 87 5.830 -5.157 6.319 606 HB3 TYR 87 2HB TYR 87 6.419 -3.787 5.384 607 HD1 TYR 87 2HD TYR 87 4.476 -6.924 5.196 608 HD2 TYR 87 1HD TYR 87 5.557 -3.315 3.219 609 HE1 TYR 87 2HE TYR 87 2.725 -7.326 3.517 610 HE2 TYR 87 1HE TYR 87 3.807 -3.707 1.535 611 HH TYR 87 HH TYR 87 2.257 -5.112 0.782 612 H THR 88 H THR 88 7.284 -7.487 6.748 613 HA THR 88 HA THR 88 6.710 -9.504 4.675 614 HB THR 88 HB THR 88 8.039 -10.155 7.298 615 HG1 THR 88 1HG THR 88 9.927 -9.597 6.484 616 HG21 THR 88 1HG2 THR 88 8.417 -12.242 6.413 617 HG22 THR 88 2HG2 THR 88 8.411 -11.657 4.749 618 HG23 THR 88 3HG2 THR 88 6.892 -11.840 5.625 619 HA PRO 89 HA PRO 89 2.946 -9.541 7.195 620 HB2 PRO 89 1HB PRO 89 1.442 -10.777 5.303 621 HB3 PRO 89 2HB PRO 89 1.771 -9.041 5.285 622 HG2 PRO 89 1HG PRO 89 3.095 -11.235 3.738 623 HG3 PRO 89 2HG PRO 89 2.584 -9.629 3.187 624 HD2 PRO 89 1HD PRO 89 5.156 -10.207 3.808 625 HD3 PRO 89 2HD PRO 89 4.451 -8.598 4.062 626 H PHE 90 H PHE 90 2.444 -11.066 8.636 627 HA PHE 90 HA PHE 90 3.342 -13.812 8.139 628 HB2 PHE 90 1HB PHE 90 2.756 -13.981 10.683 629 HB3 PHE 90 2HB PHE 90 4.232 -13.163 10.181 630 HD1 PHE 90 1HD PHE 90 0.807 -12.681 11.426 631 HD2 PHE 90 2HD PHE 90 4.529 -10.826 10.520 632 HE1 PHE 90 1HE PHE 90 0.088 -10.659 12.629 633 HE2 PHE 90 2HE PHE 90 3.817 -8.802 11.723 634 HZ PHE 90 HZ PHE 90 1.594 -8.716 12.780 635 H GLU 91 H GLU 91 0.863 -12.591 7.038 636 HA GLU 91 HA GLU 91 -0.923 -14.752 7.771 637 HB2 GLU 91 1HB GLU 91 -1.456 -11.890 8.429 638 HB3 GLU 91 2HB GLU 91 -2.803 -12.893 7.907 639 HG2 GLU 91 1HG GLU 91 -0.974 -13.568 10.199 640 HG3 GLU 91 2HG GLU 91 -2.530 -12.756 10.366 641 H LYS 92 H LYS 92 -1.980 -15.480 6.036 642 HA LYS 92 HA LYS 92 -1.649 -14.085 3.519 643 HB2 LYS 92 1HB LYS 92 -2.926 -16.182 2.681 644 HB3 LYS 92 2HB LYS 92 -1.275 -16.365 3.259 645 HG2 LYS 92 1HG LYS 92 -1.944 -17.394 5.229 646 HG3 LYS 92 2HG LYS 92 -3.593 -16.779 5.104 647 HD2 LYS 92 1HD LYS 92 -2.549 -18.615 2.993 648 HD3 LYS 92 2HD LYS 92 -3.062 -19.282 4.545 649 HE2 LYS 92 1HE LYS 92 -5.241 -18.092 4.239 650 HE3 LYS 92 2HE LYS 92 -4.712 -17.657 2.614 651 HZ1 LYS 92 1HZ LYS 92 -5.873 -19.562 2.202 652 HZ2 LYS 92 2HZ LYS 92 -5.474 -20.281 3.680 653 HZ3 LYS 92 3HZ LYS 92 -4.331 -20.218 2.434 654 H GLY 93 H GLY 93 -3.004 -12.348 3.429 655 HA2 GLY 93 1HA GLY 93 -5.727 -12.812 2.798 656 HA3 GLY 93 2HA GLY 93 -5.594 -12.173 4.429 657 H LEU 94 H LEU 94 -6.890 -10.412 3.451 658 HA LEU 94 HA LEU 94 -5.317 -8.573 1.800 659 HB2 LEU 94 1HB LEU 94 -7.450 -8.896 0.884 660 HB3 LEU 94 2HB LEU 94 -8.235 -8.789 2.458 661 HG LEU 94 HG LEU 94 -7.662 -6.361 2.502 662 HD11 LEU 94 1HD1 LEU 94 -5.812 -6.765 0.718 663 HD12 LEU 94 2HD1 LEU 94 -6.725 -5.256 0.710 664 HD13 LEU 94 3HD1 LEU 94 -7.131 -6.538 -0.431 665 HD21 LEU 94 1HD2 LEU 94 -9.767 -6.198 1.820 666 HD22 LEU 94 2HD2 LEU 94 -9.641 -7.726 0.947 667 HD23 LEU 94 3HD2 LEU 94 -9.199 -6.215 0.150 668 H HIS 95 H HIS 95 -4.159 -7.096 2.830 669 HA HIS 95 HA HIS 95 -5.065 -6.150 5.459 670 HB2 HIS 95 1HB HIS 95 -2.362 -5.460 4.421 671 HB3 HIS 95 2HB HIS 95 -2.872 -5.842 6.063 672 HD2 HIS 95 2HD HIS 95 -0.535 -7.357 3.819 673 HE1 HIS 95 1HE HIS 95 -2.665 -10.721 5.282 674 HE2 HIS 95 2HE HIS 95 -0.555 -9.920 4.164 675 H VAL 96 H VAL 96 -4.792 -3.865 5.965 676 HA VAL 96 HA VAL 96 -5.302 -2.184 3.602 677 HB VAL 96 HB VAL 96 -6.127 -1.747 6.476 678 HG11 VAL 96 1HG1 VAL 96 -7.056 -0.105 4.151 679 HG12 VAL 96 2HG1 VAL 96 -7.079 0.282 5.873 680 HG13 VAL 96 3HG1 VAL 96 -5.554 0.290 4.986 681 HG21 VAL 96 1HG2 VAL 96 -7.532 -3.409 5.614 682 HG22 VAL 96 2HG2 VAL 96 -8.439 -1.914 5.388 683 HG23 VAL 96 3HG2 VAL 96 -7.602 -2.652 4.022 684 H VAL 97 H VAL 97 -3.472 -1.199 3.011 685 HA VAL 97 HA VAL 97 -1.568 -0.300 5.029 686 HB VAL 97 HB VAL 97 -1.401 -0.285 2.012 687 HG11 VAL 97 1HG1 VAL 97 0.107 1.169 3.960 688 HG12 VAL 97 2HG1 VAL 97 1.148 -0.022 3.178 689 HG13 VAL 97 3HG1 VAL 97 0.272 1.161 2.204 690 HG21 VAL 97 1HG2 VAL 97 0.347 -1.914 3.792 691 HG22 VAL 97 2HG2 VAL 97 -1.295 -2.470 3.469 692 HG23 VAL 97 3HG2 VAL 97 -0.170 -2.219 2.134 693 H GLU 98 H GLU 98 -1.761 1.662 5.866 694 HA GLU 98 HA GLU 98 -3.071 3.762 4.283 695 HB2 GLU 98 1HB GLU 98 -2.752 3.310 7.233 696 HB3 GLU 98 2HB GLU 98 -3.094 4.919 6.613 697 HG2 GLU 98 1HG GLU 98 -5.196 4.331 5.863 698 HG3 GLU 98 2HG GLU 98 -4.805 2.614 5.799 699 H VAL 99 H VAL 99 -1.726 5.083 3.264 700 HA VAL 99 HA VAL 99 0.911 5.628 4.439 701 HB VAL 99 HB VAL 99 0.017 6.248 1.625 702 HG11 VAL 99 1HG1 VAL 99 1.932 7.387 1.604 703 HG12 VAL 99 2HG1 VAL 99 2.422 6.736 3.169 704 HG13 VAL 99 3HG1 VAL 99 2.754 5.830 1.693 705 HG21 VAL 99 1HG2 VAL 99 -0.057 4.000 1.416 706 HG22 VAL 99 2HG2 VAL 99 1.696 4.166 1.321 707 HG23 VAL 99 3HG2 VAL 99 0.933 3.725 2.848 708 H THR 100 H THR 100 1.576 7.672 4.912 709 HA THR 100 HA THR 100 -0.199 9.913 4.264 710 HB THR 100 HB THR 100 0.170 10.785 6.627 711 HG1 THR 100 1HG THR 100 1.192 9.537 7.996 712 HG21 THR 100 1HG2 THR 100 -1.598 8.518 5.850 713 HG22 THR 100 2HG2 THR 100 -2.015 10.170 6.305 714 HG23 THR 100 3HG2 THR 100 -1.558 9.002 7.545 715 H TYR 101 H TYR 101 0.928 11.542 3.440 716 HA TYR 101 HA TYR 101 3.816 11.663 3.978 717 HB2 TYR 101 1HB TYR 101 3.021 11.375 1.598 718 HB3 TYR 101 2HB TYR 101 2.328 12.989 1.707 719 HD1 TYR 101 1HD TYR 101 4.026 14.856 2.510 720 HD2 TYR 101 2HD TYR 101 5.156 11.153 0.745 721 HE1 TYR 101 1HE TYR 101 6.188 15.832 1.861 722 HE2 TYR 101 2HE TYR 101 7.322 12.119 0.092 723 HH TYR 101 HH TYR 101 8.159 15.475 0.908 724 H ASP 102 H ASP 102 4.147 12.997 5.651 725 HA ASP 102 HA ASP 102 4.296 14.932 6.842 726 HB2 ASP 102 1HB ASP 102 4.799 15.935 4.616 727 HB3 ASP 102 2HB ASP 102 3.080 16.255 4.409 728 H ASP 103 H ASP 103 2.217 13.367 7.495 729 HA ASP 103 HA ASP 103 0.239 13.350 8.619 730 HB2 ASP 103 1HB ASP 103 0.897 16.285 8.677 731 HB3 ASP 103 2HB ASP 103 -0.606 15.678 9.369 732 H VAL 104 H VAL 104 0.341 13.566 5.670 733 HA VAL 104 HA VAL 104 -2.461 14.329 5.277 734 HB VAL 104 HB VAL 104 -0.213 15.173 3.443 735 HG11 VAL 104 1HG1 VAL 104 -2.692 14.473 2.639 736 HG12 VAL 104 2HG1 VAL 104 -2.945 16.180 3.010 737 HG13 VAL 104 3HG1 VAL 104 -1.710 15.703 1.845 738 HG21 VAL 104 1HG2 VAL 104 -1.016 17.466 4.004 739 HG22 VAL 104 2HG2 VAL 104 -2.052 16.750 5.239 740 HG23 VAL 104 3HG2 VAL 104 -0.299 16.604 5.365 741 HA PRO 105 HA PRO 105 -2.293 10.257 3.456 742 HB2 PRO 105 1HB PRO 105 -4.942 10.115 2.883 743 HB3 PRO 105 2HB PRO 105 -4.297 9.868 4.510 744 HG2 PRO 105 1HG PRO 105 -5.547 12.314 3.319 745 HG3 PRO 105 2HG PRO 105 -5.790 11.602 4.925 746 HD2 PRO 105 1HD PRO 105 -4.181 13.739 4.507 747 HD3 PRO 105 2HD PRO 105 -3.857 12.532 5.768 748 H ILE 106 H ILE 106 -2.419 9.380 1.382 749 HA ILE 106 HA ILE 106 -2.497 11.359 -0.763 750 HB ILE 106 HB ILE 106 -1.652 9.392 -2.155 751 HG12 ILE 106 1HG1 ILE 106 -1.132 8.222 0.585 752 HG13 ILE 106 2HG1 ILE 106 -2.396 7.660 -0.504 753 HG21 ILE 106 1HG2 ILE 106 -0.120 10.651 0.092 754 HG22 ILE 106 2HG2 ILE 106 0.658 9.553 -1.046 755 HG23 ILE 106 3HG2 ILE 106 -0.089 11.040 -1.627 756 HD11 ILE 106 1HD1 ILE 106 -0.250 7.512 -2.127 757 HD12 ILE 106 2HD1 ILE 106 0.498 7.191 -0.562 758 HD13 ILE 106 3HD1 ILE 106 -0.834 6.183 -1.127 759 HA PRO 107 HA PRO 107 -6.364 10.113 -2.428 760 HB2 PRO 107 1HB PRO 107 -5.922 10.425 -5.089 761 HB3 PRO 107 2HB PRO 107 -6.102 11.788 -3.979 762 HG2 PRO 107 1HG PRO 107 -3.604 10.559 -5.079 763 HG3 PRO 107 2HG PRO 107 -4.015 12.273 -4.880 764 HD2 PRO 107 1HD PRO 107 -2.415 10.947 -3.144 765 HD3 PRO 107 2HD PRO 107 -3.486 12.269 -2.637 766 H ASN 108 H ASN 108 -3.682 8.220 -2.649 767 HA ASN 108 HA ASN 108 -4.970 6.203 -4.354 768 HB2 ASN 108 1HB ASN 108 -2.144 6.018 -3.346 769 HB3 ASN 108 2HB ASN 108 -2.856 5.282 -4.779 770 HD21 ASN 108 1HD2 ASN 108 -3.896 7.123 -6.232 771 HD22 ASN 108 2HD2 ASN 108 -2.795 8.398 -6.616 772 H SER 109 H SER 109 -4.349 6.997 -1.128 773 HA SER 109 HA SER 109 -4.615 4.203 -0.256 774 HB2 SER 109 1HB SER 109 -3.356 6.622 0.925 775 HB3 SER 109 2HB SER 109 -4.119 5.496 2.047 776 HG SER 109 HG SER 109 -2.169 4.809 0.100 777 HA PRO 110 HA PRO 110 -4.835 3.646 2.167 778 HB2 PRO 110 1HB PRO 110 -6.561 1.672 2.868 779 HB3 PRO 110 2HB PRO 110 -6.282 3.103 3.867 780 HG2 PRO 110 1HG PRO 110 -8.517 2.532 1.959 781 HG3 PRO 110 2HG PRO 110 -8.584 3.254 3.577 782 HD2 PRO 110 1HD PRO 110 -8.693 4.737 1.314 783 HD3 PRO 110 2HD PRO 110 -7.950 5.334 2.812 784 H PHE 111 H PHE 111 -4.224 1.399 1.649 785 HA PHE 111 HA PHE 111 -4.994 0.722 -1.109 786 HB2 PHE 111 1HB PHE 111 -2.436 0.377 0.430 787 HB3 PHE 111 2HB PHE 111 -2.772 -0.617 -0.984 788 HD1 PHE 111 1HD PHE 111 -3.447 0.682 -3.141 789 HD2 PHE 111 2HD PHE 111 -1.387 2.408 0.159 790 HE1 PHE 111 1HE PHE 111 -2.619 2.479 -4.603 791 HE2 PHE 111 2HE PHE 111 -0.556 4.209 -1.297 792 HZ PHE 111 HZ PHE 111 -1.172 4.247 -3.681 793 H LYS 112 H LYS 112 -4.801 -1.649 -1.635 794 HA LYS 112 HA LYS 112 -5.607 -3.339 0.632 795 HB2 LYS 112 1HB LYS 112 -7.079 -2.794 -1.898 796 HB3 LYS 112 2HB LYS 112 -7.116 -4.439 -1.276 797 HG2 LYS 112 1HG LYS 112 -8.263 -3.830 0.637 798 HG3 LYS 112 2HG LYS 112 -7.767 -2.141 0.519 799 HD2 LYS 112 1HD LYS 112 -9.172 -1.946 -1.533 800 HD3 LYS 112 2HD LYS 112 -9.758 -3.583 -1.229 801 HE2 LYS 112 1HE LYS 112 -9.961 -1.400 0.826 802 HE3 LYS 112 2HE LYS 112 -11.202 -1.650 -0.401 803 HZ1 LYS 112 1HZ LYS 112 -11.207 -2.844 1.980 804 HZ2 LYS 112 2HZ LYS 112 -10.401 -4.019 1.068 805 HZ3 LYS 112 3HZ LYS 112 -11.943 -3.500 0.605 806 H VAL 113 H VAL 113 -3.986 -4.753 0.804 807 HA VAL 113 HA VAL 113 -2.811 -5.876 -1.644 808 HB VAL 113 HB VAL 113 -1.761 -5.957 1.188 809 HG11 VAL 113 1HG1 VAL 113 -1.202 -7.699 -0.860 810 HG12 VAL 113 2HG1 VAL 113 0.094 -6.507 -0.992 811 HG13 VAL 113 3HG1 VAL 113 -0.162 -7.370 0.525 812 HG21 VAL 113 1HG2 VAL 113 -0.212 -4.285 0.569 813 HG22 VAL 113 2HG2 VAL 113 -0.636 -4.415 -1.138 814 HG23 VAL 113 3HG2 VAL 113 -1.783 -3.716 0.005 815 H ALA 114 H ALA 114 -4.072 -7.569 -2.220 816 HA ALA 114 HA ALA 114 -5.052 -9.436 -0.228 817 HB1 ALA 114 1HB ALA 114 -5.557 -10.445 -2.801 818 HB2 ALA 114 2HB ALA 114 -6.688 -9.639 -1.713 819 HB3 ALA 114 3HB ALA 114 -5.781 -8.698 -2.897 820 H VAL 115 H VAL 115 -3.268 -10.497 0.584 821 HA VAL 115 HA VAL 115 -1.229 -11.613 -1.070 822 HB VAL 115 HB VAL 115 -1.937 -12.148 1.816 823 HG11 VAL 115 1HG1 VAL 115 0.274 -13.190 0.085 824 HG12 VAL 115 2HG1 VAL 115 0.493 -13.011 1.827 825 HG13 VAL 115 3HG1 VAL 115 -0.774 -14.066 1.199 826 HG21 VAL 115 1HG2 VAL 115 -1.212 -9.892 1.513 827 HG22 VAL 115 2HG2 VAL 115 0.128 -10.794 2.221 828 HG23 VAL 115 3HG2 VAL 115 0.139 -10.403 0.501 829 H THR 116 H THR 116 -0.782 -13.841 -1.420 830 HA THR 116 HA THR 116 -3.042 -15.678 -1.063 831 HB THR 116 HB THR 116 -3.239 -14.831 -3.347 832 HG1 THR 116 1HG THR 116 -2.557 -17.485 -2.812 833 HG21 THR 116 1HG2 THR 116 -0.386 -15.777 -3.609 834 HG22 THR 116 2HG2 THR 116 -1.006 -14.142 -3.839 835 HG23 THR 116 3HG2 THR 116 -1.424 -15.413 -4.987 836 H GLU 117 H GLU 117 -2.492 -17.861 -0.906 837 HA GLU 117 HA GLU 117 -0.067 -18.477 0.310 838 HB2 GLU 117 1HB GLU 117 -2.203 -20.153 -0.969 839 HB3 GLU 117 2HB GLU 117 -0.736 -20.902 -0.356 840 HG2 GLU 117 1HG GLU 117 -1.254 -19.705 1.838 841 HG3 GLU 117 2HG GLU 117 -2.858 -19.431 1.161 842 H GLY 118 H GLY 118 1.873 -18.281 -0.606 843 HA2 GLY 118 1HA GLY 118 2.228 -19.402 -3.318 844 HA3 GLY 118 2HA GLY 118 3.033 -17.930 -2.796 845 H CYS 119 H CYS 119 4.779 -18.055 -1.363 846 HA CYS 119 HA CYS 119 5.942 -20.750 -1.136 847 HB2 CYS 119 1HB CYS 119 7.191 -19.134 -2.566 848 HB3 CYS 119 2HB CYS 119 7.394 -18.097 -1.159 849 HG CYS 119 HG CYS 119 9.168 -20.719 -2.106 850 H GLN 120 H GLN 120 7.135 -21.268 0.773 851 HA GLN 120 HA GLN 120 6.616 -19.551 3.094 852 HB2 GLN 120 1HB GLN 120 5.883 -21.433 4.432 853 HB3 GLN 120 2HB GLN 120 4.858 -21.287 3.010 854 HG2 GLN 120 1HG GLN 120 5.892 -23.140 1.962 855 HG3 GLN 120 2HG GLN 120 7.185 -23.179 3.159 856 HE21 GLN 120 1HE2 GLN 120 6.725 -25.352 3.603 857 HE22 GLN 120 2HE2 GLN 120 5.357 -25.811 4.553 858 HA PRO 121 HA PRO 121 10.789 -20.395 4.166 859 HB2 PRO 121 1HB PRO 121 10.672 -20.143 6.866 860 HB3 PRO 121 2HB PRO 121 10.571 -18.762 5.768 861 HG2 PRO 121 1HG PRO 121 8.371 -20.239 7.161 862 HG3 PRO 121 2HG PRO 121 8.582 -18.492 6.942 863 HD2 PRO 121 1HD PRO 121 6.906 -19.960 5.404 864 HD3 PRO 121 2HD PRO 121 7.767 -18.536 4.787 865 H SER 122 H SER 122 12.133 -21.762 5.704 866 HA SER 122 HA SER 122 10.796 -24.345 6.186 867 HB2 SER 122 1HB SER 122 13.505 -23.756 5.006 868 HB3 SER 122 2HB SER 122 13.137 -25.321 5.730 869 HG SER 122 HG SER 122 12.754 -25.120 3.404 870 H SER 123 H SER 123 13.810 -22.622 7.016 871 HA SER 123 HA SER 123 13.952 -23.937 9.575 872 HB2 SER 123 1HB SER 123 15.955 -22.451 9.904 873 HB3 SER 123 2HB SER 123 16.033 -23.462 8.461 874 HG SER 123 HG SER 123 16.495 -21.568 7.605 875 H GLY 124 H GLY 124 13.917 -22.881 11.622 876 HA2 GLY 124 1HA GLY 124 11.896 -20.805 11.752 877 HA3 GLY 124 2HA GLY 124 12.592 -21.674 13.112 878 HA PRO 125 HA PRO 125 14.283 -17.423 13.373 879 HB2 PRO 125 1HB PRO 125 14.314 -17.378 16.088 880 HB3 PRO 125 2HB PRO 125 12.878 -16.982 15.136 881 HG2 PRO 125 1HG PRO 125 13.590 -19.542 16.515 882 HG3 PRO 125 2HG PRO 125 12.030 -18.701 16.454 883 HD2 PRO 125 1HD PRO 125 12.595 -20.837 14.888 884 HD3 PRO 125 2HD PRO 125 11.527 -19.521 14.359 885 H SER 126 H SER 126 16.402 -17.329 12.993 886 HA SER 126 HA SER 126 18.334 -19.171 13.394 887 HB2 SER 126 1HB SER 126 18.751 -17.109 12.164 888 HB3 SER 126 2HB SER 126 18.664 -16.172 13.655 889 HG SER 126 HG SER 126 20.653 -17.972 12.799 890 H SER 127 H SER 127 20.146 -19.289 14.929 891 HA SER 127 HA SER 127 19.143 -19.267 17.645 892 HB2 SER 127 1HB SER 127 20.327 -21.239 17.099 893 HB3 SER 127 2HB SER 127 21.646 -20.339 16.350 894 HG SER 127 HG SER 127 21.925 -21.232 18.590 895 H GLY 128 H GLY 128 19.184 -17.351 18.651 896 HA2 GLY 128 1HA GLY 128 20.792 -15.995 19.987 897 HA3 GLY 128 2HA GLY 128 21.684 -15.781 18.487 Start of MODEL 5 1 H1 GLY 1 H GLY 1 20.835 20.856 21.440 2 HA2 GLY 1 1HA GLY 1 18.999 22.858 22.603 3 HA3 GLY 1 2HA GLY 1 19.055 22.535 20.876 4 H SER 2 H SER 2 16.825 22.305 22.782 5 HA SER 2 HA SER 2 15.958 19.655 21.983 6 HB2 SER 2 1HB SER 2 16.222 20.474 24.878 7 HB3 SER 2 2HB SER 2 15.164 19.165 24.352 8 HG SER 2 HG SER 2 17.977 19.333 24.012 9 H SER 3 H SER 3 13.744 19.460 21.815 10 HA SER 3 HA SER 3 12.011 21.543 22.841 11 HB2 SER 3 1HB SER 3 12.932 22.391 20.635 12 HB3 SER 3 2HB SER 3 12.079 21.057 19.859 13 HG SER 3 HG SER 3 10.211 22.014 20.225 14 H GLY 4 H GLY 4 9.891 20.901 23.037 15 HA2 GLY 4 1HA GLY 4 8.483 18.987 21.704 16 HA3 GLY 4 2HA GLY 4 9.419 18.067 22.872 17 H SER 5 H SER 5 6.558 19.707 22.337 18 HA SER 5 HA SER 5 6.084 20.117 25.210 19 HB2 SER 5 1HB SER 5 4.313 21.620 24.612 20 HB3 SER 5 2HB SER 5 5.711 22.045 23.624 21 HG SER 5 HG SER 5 3.555 20.398 22.785 22 H SER 6 H SER 6 4.420 19.108 26.259 23 HA SER 6 HA SER 6 3.000 17.027 24.729 24 HB2 SER 6 1HB SER 6 4.701 16.310 26.517 25 HB3 SER 6 2HB SER 6 3.532 16.905 27.695 26 HG SER 6 HG SER 6 1.998 15.467 26.574 27 H GLY 7 H GLY 7 0.834 17.027 24.753 28 HA2 GLY 7 1HA GLY 7 -1.070 17.420 26.475 29 HA3 GLY 7 2HA GLY 7 -0.491 19.077 26.389 30 H HIS 8 H HIS 8 -2.515 16.736 25.004 31 HA HIS 8 HA HIS 8 -3.009 18.470 22.673 32 HB2 HIS 8 1HB HIS 8 -3.346 15.492 23.022 33 HB3 HIS 8 2HB HIS 8 -4.081 16.376 21.688 34 HD1 HIS 8 1HD HIS 8 -1.770 14.148 21.527 35 HD2 HIS 8 2HD HIS 8 -1.316 18.260 21.146 36 HE1 HIS 8 1HE HIS 8 0.350 14.471 20.214 37 H PHE 9 H PHE 9 -4.409 19.813 23.918 38 HA PHE 9 HA PHE 9 -6.516 19.138 25.502 39 HB2 PHE 9 1HB PHE 9 -6.113 21.369 23.548 40 HB3 PHE 9 2HB PHE 9 -7.671 21.199 24.349 41 HD1 PHE 9 2HD PHE 9 -4.040 21.208 25.210 42 HD2 PHE 9 1HD PHE 9 -7.991 22.356 26.300 43 HE1 PHE 9 2HE PHE 9 -3.151 22.387 27.178 44 HE2 PHE 9 1HE PHE 9 -7.108 23.538 28.269 45 HZ PHE 9 HZ PHE 9 -4.685 23.553 28.711 46 HA PRO 10 HA PRO 10 -9.540 16.984 23.165 47 HB2 PRO 10 1HB PRO 10 -11.843 17.925 24.252 48 HB3 PRO 10 2HB PRO 10 -10.760 16.819 25.105 49 HG2 PRO 10 1HG PRO 10 -11.012 19.791 25.355 50 HG3 PRO 10 2HG PRO 10 -10.831 18.573 26.630 51 HD2 PRO 10 1HD PRO 10 -8.758 20.072 25.743 52 HD3 PRO 10 2HD PRO 10 -8.553 18.407 26.323 53 H ALA 11 H ALA 11 -8.962 20.190 22.707 54 HA ALA 11 HA ALA 11 -11.248 20.744 20.996 55 HB1 ALA 11 1HB ALA 11 -9.283 22.752 20.713 56 HB2 ALA 11 2HB ALA 11 -10.811 22.835 21.590 57 HB3 ALA 11 3HB ALA 11 -9.345 22.316 22.421 58 H ARG 12 H ARG 12 -10.721 21.759 18.804 59 HA ARG 12 HA ARG 12 -8.380 20.658 17.489 60 HB2 ARG 12 1HB ARG 12 -11.183 19.737 16.923 61 HB3 ARG 12 2HB ARG 12 -9.958 19.715 15.661 62 HG2 ARG 12 1HG ARG 12 -8.613 18.180 16.886 63 HG3 ARG 12 2HG ARG 12 -9.630 18.346 18.318 64 HD2 ARG 12 1HD ARG 12 -10.498 17.195 15.668 65 HD3 ARG 12 2HD ARG 12 -10.077 16.260 17.102 66 HE ARG 12 HE ARG 12 -12.181 18.194 17.502 67 HH11 ARG 12 1HH1 ARG 12 -11.385 14.926 16.605 68 HH12 ARG 12 2HH1 ARG 12 -12.950 14.297 17.002 69 HH21 ARG 12 1HH2 ARG 12 -14.245 17.379 18.028 70 HH22 ARG 12 2HH2 ARG 12 -14.577 15.694 17.810 71 H VAL 13 H VAL 13 -7.686 21.946 15.883 72 HA VAL 13 HA VAL 13 -9.506 24.076 14.963 73 HB VAL 13 HB VAL 13 -6.508 24.225 15.312 74 HG11 VAL 13 1HG1 VAL 13 -8.500 26.243 14.292 75 HG12 VAL 13 2HG1 VAL 13 -6.847 26.639 14.768 76 HG13 VAL 13 3HG1 VAL 13 -7.138 25.542 13.417 77 HG21 VAL 13 1HG2 VAL 13 -8.747 25.561 16.829 78 HG22 VAL 13 2HG2 VAL 13 -7.687 24.291 17.438 79 HG23 VAL 13 3HG2 VAL 13 -7.027 25.881 17.053 80 H LYS 14 H LYS 14 -9.393 24.710 12.793 81 HA LYS 14 HA LYS 14 -8.976 22.664 10.924 82 HB2 LYS 14 1HB LYS 14 -10.424 24.792 10.743 83 HB3 LYS 14 2HB LYS 14 -8.951 25.585 10.201 84 HG2 LYS 14 1HG LYS 14 -8.777 23.943 8.370 85 HG3 LYS 14 2HG LYS 14 -10.306 23.234 8.894 86 HD2 LYS 14 1HD LYS 14 -10.004 26.135 8.139 87 HD3 LYS 14 2HD LYS 14 -10.455 24.878 6.984 88 HE2 LYS 14 1HE LYS 14 -12.278 24.311 8.773 89 HE3 LYS 14 2HE LYS 14 -11.983 25.964 9.309 90 HZ1 LYS 14 1HZ LYS 14 -12.763 25.160 6.558 91 HZ2 LYS 14 2HZ LYS 14 -12.499 26.745 7.087 92 HZ3 LYS 14 3HZ LYS 14 -13.793 25.851 7.709 93 H VAL 15 H VAL 15 -7.221 21.958 9.896 94 HA VAL 15 HA VAL 15 -4.844 23.695 9.811 95 HB VAL 15 HB VAL 15 -4.866 20.724 10.361 96 HG11 VAL 15 1HG1 VAL 15 -2.845 22.426 9.249 97 HG12 VAL 15 2HG1 VAL 15 -2.324 21.826 10.824 98 HG13 VAL 15 3HG1 VAL 15 -2.796 20.691 9.559 99 HG21 VAL 15 1HG2 VAL 15 -3.718 21.524 12.495 100 HG22 VAL 15 2HG2 VAL 15 -4.327 23.127 12.084 101 HG23 VAL 15 3HG2 VAL 15 -5.455 21.801 12.365 102 H GLU 16 H GLU 16 -5.380 24.264 7.663 103 HA GLU 16 HA GLU 16 -5.989 22.543 5.579 104 HB2 GLU 16 1HB GLU 16 -5.343 24.292 4.089 105 HB3 GLU 16 2HB GLU 16 -6.031 25.054 5.516 106 HG2 GLU 16 1HG GLU 16 -3.591 25.228 6.325 107 HG3 GLU 16 2HG GLU 16 -3.178 24.934 4.637 108 HA PRO 17 HA PRO 17 -2.340 20.193 4.863 109 HB2 PRO 17 1HB PRO 17 -2.738 19.555 2.255 110 HB3 PRO 17 2HB PRO 17 -3.657 18.821 3.574 111 HG2 PRO 17 1HG PRO 17 -4.430 21.061 1.746 112 HG3 PRO 17 2HG PRO 17 -5.399 19.684 2.299 113 HD2 PRO 17 1HD PRO 17 -5.623 22.152 3.388 114 HD3 PRO 17 2HD PRO 17 -5.870 20.667 4.329 115 H ALA 18 H ALA 18 -0.305 20.793 4.479 116 HA ALA 18 HA ALA 18 0.186 23.072 2.707 117 HB1 ALA 18 1HB ALA 18 2.121 21.784 4.622 118 HB2 ALA 18 2HB ALA 18 2.263 23.359 3.840 119 HB3 ALA 18 3HB ALA 18 1.023 23.092 5.066 120 H VAL 19 H VAL 19 -0.229 20.121 1.968 121 HA VAL 19 HA VAL 19 1.958 20.036 0.042 122 HB VAL 19 HB VAL 19 2.630 18.656 2.052 123 HG11 VAL 19 1HG1 VAL 19 1.450 16.862 2.760 124 HG12 VAL 19 2HG1 VAL 19 0.100 17.756 2.058 125 HG13 VAL 19 3HG1 VAL 19 0.875 16.464 1.141 126 HG21 VAL 19 1HG2 VAL 19 3.414 16.760 0.682 127 HG22 VAL 19 2HG2 VAL 19 2.330 17.271 -0.612 128 HG23 VAL 19 3HG2 VAL 19 3.660 18.315 -0.113 129 H ASP 20 H ASP 20 1.488 18.865 -1.835 130 HA ASP 20 HA ASP 20 -1.321 18.629 -2.416 131 HB2 ASP 20 1HB ASP 20 0.902 17.773 -4.255 132 HB3 ASP 20 2HB ASP 20 -0.694 18.391 -4.673 133 H THR 21 H THR 21 1.412 16.358 -2.749 134 HA THR 21 HA THR 21 1.377 14.061 -2.975 135 HB THR 21 HB THR 21 0.525 12.946 -0.910 136 HG1 THR 21 1HG THR 21 -0.336 15.597 -0.312 137 HG21 THR 21 1HG2 THR 21 2.523 15.048 -1.075 138 HG22 THR 21 2HG2 THR 21 2.608 13.472 -0.288 139 HG23 THR 21 3HG2 THR 21 1.903 14.846 0.563 140 H SER 22 H SER 22 -0.674 15.182 -4.538 141 HA SER 22 HA SER 22 -2.903 13.302 -4.140 142 HB2 SER 22 1HB SER 22 -2.730 16.061 -5.233 143 HB3 SER 22 2HB SER 22 -3.886 14.972 -5.998 144 HG SER 22 HG SER 22 -4.258 16.318 -3.815 145 H ARG 23 H ARG 23 -0.198 13.955 -6.057 146 HA ARG 23 HA ARG 23 -1.235 12.247 -8.223 147 HB2 ARG 23 1HB ARG 23 0.673 13.295 -9.567 148 HB3 ARG 23 2HB ARG 23 -0.716 14.314 -9.215 149 HG2 ARG 23 1HG ARG 23 0.538 15.296 -7.321 150 HG3 ARG 23 2HG ARG 23 1.942 14.342 -7.804 151 HD2 ARG 23 1HD ARG 23 2.318 15.594 -9.685 152 HD3 ARG 23 2HD ARG 23 0.622 16.047 -9.852 153 HE ARG 23 HE ARG 23 2.649 17.428 -8.346 154 HH11 ARG 23 1HH1 ARG 23 -0.766 16.881 -8.743 155 HH12 ARG 23 2HH1 ARG 23 -1.224 18.380 -8.003 156 HH21 ARG 23 1HH2 ARG 23 2.059 19.403 -7.371 157 HH22 ARG 23 2HH2 ARG 23 0.384 19.814 -7.224 158 H ILE 24 H ILE 24 0.089 11.557 -5.609 159 HA ILE 24 HA ILE 24 2.702 10.587 -6.228 160 HB ILE 24 HB ILE 24 0.813 10.089 -3.943 161 HG12 ILE 24 1HG1 ILE 24 3.520 11.422 -4.165 162 HG13 ILE 24 2HG1 ILE 24 1.972 12.236 -3.968 163 HG21 ILE 24 1HG2 ILE 24 1.802 8.107 -3.639 164 HG22 ILE 24 2HG2 ILE 24 3.089 8.472 -4.788 165 HG23 ILE 24 3HG2 ILE 24 3.206 9.040 -3.122 166 HD11 ILE 24 1HD1 ILE 24 2.268 10.349 -1.867 167 HD12 ILE 24 2HD1 ILE 24 3.738 11.318 -1.974 168 HD13 ILE 24 3HD1 ILE 24 2.174 12.108 -1.776 169 H LYS 25 H LYS 25 3.304 8.727 -7.136 170 HA LYS 25 HA LYS 25 1.226 6.696 -7.626 171 HB2 LYS 25 1HB LYS 25 3.444 7.760 -9.297 172 HB3 LYS 25 2HB LYS 25 3.066 6.050 -9.456 173 HG2 LYS 25 1HG LYS 25 0.737 6.629 -9.974 174 HG3 LYS 25 2HG LYS 25 1.153 8.341 -9.862 175 HD2 LYS 25 1HD LYS 25 2.585 6.473 -11.731 176 HD3 LYS 25 2HD LYS 25 1.091 7.292 -12.193 177 HE2 LYS 25 1HE LYS 25 2.144 9.455 -11.737 178 HE3 LYS 25 2HE LYS 25 3.635 8.633 -11.280 179 HZ1 LYS 25 1HZ LYS 25 3.187 7.613 -13.711 180 HZ2 LYS 25 2HZ LYS 25 4.160 8.965 -13.419 181 HZ3 LYS 25 3HZ LYS 25 2.554 9.170 -13.909 182 H VAL 26 H VAL 26 1.621 4.585 -7.130 183 HA VAL 26 HA VAL 26 4.240 3.951 -5.938 184 HB VAL 26 HB VAL 26 2.964 2.397 -4.386 185 HG11 VAL 26 1HG1 VAL 26 2.107 5.120 -3.657 186 HG12 VAL 26 2HG1 VAL 26 3.099 3.962 -2.767 187 HG13 VAL 26 3HG1 VAL 26 3.815 4.935 -4.053 188 HG21 VAL 26 1HG2 VAL 26 0.839 2.540 -5.712 189 HG22 VAL 26 2HG2 VAL 26 0.649 2.794 -3.977 190 HG23 VAL 26 3HG2 VAL 26 0.630 4.172 -5.077 191 H PHE 27 H PHE 27 5.210 2.266 -6.843 192 HA PHE 27 HA PHE 27 3.555 0.220 -8.162 193 HB2 PHE 27 1HB PHE 27 5.414 0.027 -9.865 194 HB3 PHE 27 2HB PHE 27 4.466 1.508 -9.951 195 HD1 PHE 27 2HD PHE 27 7.712 0.058 -9.089 196 HD2 PHE 27 1HD PHE 27 5.434 3.640 -9.397 197 HE1 PHE 27 2HE PHE 27 9.779 1.382 -8.918 198 HE2 PHE 27 1HE PHE 27 7.497 4.970 -9.227 199 HZ PHE 27 HZ PHE 27 9.673 3.842 -8.986 200 H GLY 28 H GLY 28 4.304 -1.900 -8.064 201 HA2 GLY 28 1HA GLY 28 6.442 -3.222 -7.552 202 HA3 GLY 28 2HA GLY 28 6.395 -2.336 -6.034 203 HA PRO 29 HA PRO 29 3.846 -6.358 -5.937 204 HB2 PRO 29 1HB PRO 29 5.561 -7.878 -4.481 205 HB3 PRO 29 2HB PRO 29 5.577 -7.836 -6.248 206 HG2 PRO 29 1HG PRO 29 7.335 -6.391 -4.304 207 HG3 PRO 29 2HG PRO 29 7.775 -7.219 -5.809 208 HD2 PRO 29 1HD PRO 29 7.504 -4.530 -5.652 209 HD3 PRO 29 2HD PRO 29 7.121 -5.444 -7.125 210 H GLY 30 H GLY 30 5.936 -4.807 -3.530 211 HA2 GLY 30 1HA GLY 30 4.683 -5.694 -1.206 212 HA3 GLY 30 2HA GLY 30 5.534 -4.165 -1.364 213 H ILE 31 H ILE 31 3.469 -3.601 -3.615 214 HA ILE 31 HA ILE 31 1.269 -2.814 -1.819 215 HB ILE 31 HB ILE 31 2.720 -0.894 -2.500 216 HG12 ILE 31 1HG1 ILE 31 0.772 0.518 -3.330 217 HG13 ILE 31 2HG1 ILE 31 -0.170 -0.968 -3.371 218 HG21 ILE 31 1HG2 ILE 31 2.843 -0.145 -4.721 219 HG22 ILE 31 2HG2 ILE 31 3.127 -1.882 -4.811 220 HG23 ILE 31 3HG2 ILE 31 1.550 -1.223 -5.245 221 HD11 ILE 31 1HD1 ILE 31 -0.565 -0.854 -1.197 222 HD12 ILE 31 2HD1 ILE 31 1.148 -0.647 -0.831 223 HD13 ILE 31 3HD1 ILE 31 0.154 0.756 -1.224 224 H GLU 32 H GLU 32 2.241 -4.219 -4.800 225 HA GLU 32 HA GLU 32 -0.373 -4.050 -6.027 226 HB2 GLU 32 1HB GLU 32 2.197 -5.413 -6.821 227 HB3 GLU 32 2HB GLU 32 0.710 -5.586 -7.743 228 HG2 GLU 32 1HG GLU 32 1.727 -2.858 -7.115 229 HG3 GLU 32 2HG GLU 32 2.485 -3.795 -8.402 230 H GLY 33 H GLY 33 1.698 -6.627 -4.705 231 HA2 GLY 33 1HA GLY 33 0.694 -8.306 -3.264 232 HA3 GLY 33 2HA GLY 33 -0.754 -8.208 -4.255 233 H LYS 34 H LYS 34 2.662 -8.529 -5.178 234 HA LYS 34 HA LYS 34 1.920 -10.890 -6.757 235 HB2 LYS 34 1HB LYS 34 4.524 -9.394 -6.962 236 HB3 LYS 34 2HB LYS 34 3.772 -10.446 -8.154 237 HG2 LYS 34 1HG LYS 34 2.695 -7.767 -7.300 238 HG3 LYS 34 2HG LYS 34 3.653 -8.061 -8.753 239 HD2 LYS 34 1HD LYS 34 1.197 -9.688 -8.297 240 HD3 LYS 34 2HD LYS 34 1.021 -8.018 -8.842 241 HE2 LYS 34 1HE LYS 34 1.066 -9.536 -10.739 242 HE3 LYS 34 2HE LYS 34 2.488 -8.495 -10.747 243 HZ1 LYS 34 1HZ LYS 34 2.588 -11.180 -9.528 244 HZ2 LYS 34 2HZ LYS 34 3.862 -10.232 -10.111 245 HZ3 LYS 34 3HZ LYS 34 2.799 -10.980 -11.195 246 H ASP 35 H ASP 35 4.927 -9.837 -5.160 247 HA ASP 35 HA ASP 35 5.330 -12.602 -4.267 248 HB2 ASP 35 1HB ASP 35 7.381 -10.400 -4.136 249 HB3 ASP 35 2HB ASP 35 7.644 -12.142 -4.146 250 H VAL 36 H VAL 36 3.486 -10.747 -2.958 251 HA VAL 36 HA VAL 36 4.795 -10.049 -0.458 252 HB VAL 36 HB VAL 36 1.885 -9.769 -1.220 253 HG11 VAL 36 1HG1 VAL 36 3.459 -9.112 1.188 254 HG12 VAL 36 2HG1 VAL 36 2.328 -7.875 0.636 255 HG13 VAL 36 3HG1 VAL 36 1.747 -9.496 1.019 256 HG21 VAL 36 1HG2 VAL 36 2.319 -7.807 -2.227 257 HG22 VAL 36 2HG2 VAL 36 3.574 -7.371 -1.066 258 HG23 VAL 36 3HG2 VAL 36 3.949 -8.458 -2.404 259 H PHE 37 H PHE 37 4.016 -12.881 -1.573 260 HA PHE 37 HA PHE 37 2.142 -14.171 -0.109 261 HB2 PHE 37 1HB PHE 37 4.894 -15.362 -0.364 262 HB3 PHE 37 2HB PHE 37 3.335 -16.176 -0.441 263 HD1 PHE 37 1HD PHE 37 1.832 -14.660 -2.367 264 HD2 PHE 37 2HD PHE 37 5.965 -15.673 -2.373 265 HE1 PHE 37 1HE PHE 37 1.865 -14.493 -4.821 266 HE2 PHE 37 2HE PHE 37 6.006 -15.508 -4.828 267 HZ PHE 37 HZ PHE 37 3.954 -14.916 -6.055 268 H ARG 38 H ARG 38 2.259 -15.494 1.848 269 HA ARG 38 HA ARG 38 3.007 -14.001 4.096 270 HB2 ARG 38 1HB ARG 38 1.272 -15.875 3.921 271 HB3 ARG 38 2HB ARG 38 2.621 -16.988 4.111 272 HG2 ARG 38 1HG ARG 38 3.148 -16.020 6.272 273 HG3 ARG 38 2HG ARG 38 1.845 -14.844 6.078 274 HD2 ARG 38 1HD ARG 38 0.186 -16.473 6.286 275 HD3 ARG 38 2HD ARG 38 1.306 -17.789 5.937 276 HE ARG 38 HE ARG 38 1.922 -16.349 8.349 277 HH11 ARG 38 1HH1 ARG 38 0.067 -18.944 6.953 278 HH12 ARG 38 2HH1 ARG 38 -0.096 -19.806 8.447 279 HH21 ARG 38 1HH2 ARG 38 1.715 -17.475 10.322 280 HH22 ARG 38 2HH2 ARG 38 0.842 -18.969 10.363 281 H GLU 39 H GLU 39 4.776 -13.974 5.383 282 HA GLU 39 HA GLU 39 6.922 -14.284 6.071 283 HB2 GLU 39 1HB GLU 39 6.182 -17.016 5.101 284 HB3 GLU 39 2HB GLU 39 7.852 -16.686 5.541 285 HG2 GLU 39 1HG GLU 39 7.117 -15.987 7.771 286 HG3 GLU 39 2HG GLU 39 5.451 -16.353 7.326 287 H ALA 40 H ALA 40 6.461 -13.078 3.544 288 HA ALA 40 HA ALA 40 8.944 -13.835 2.150 289 HB1 ALA 40 1HB ALA 40 6.682 -12.604 0.645 290 HB2 ALA 40 2HB ALA 40 7.979 -13.653 0.070 291 HB3 ALA 40 3HB ALA 40 6.646 -14.330 1.005 292 H THR 41 H THR 41 10.273 -12.193 1.488 293 HA THR 41 HA THR 41 9.843 -9.624 2.744 294 HB THR 41 HB THR 41 12.164 -10.570 1.049 295 HG1 THR 41 1HG THR 41 12.658 -11.639 2.800 296 HG21 THR 41 1HG2 THR 41 12.762 -8.415 1.079 297 HG22 THR 41 2HG2 THR 41 13.032 -8.612 2.811 298 HG23 THR 41 3HG2 THR 41 11.485 -8.002 2.223 299 H THR 42 H THR 42 8.359 -8.415 1.684 300 HA THR 42 HA THR 42 8.858 -7.883 -1.173 301 HB THR 42 HB THR 42 6.713 -9.103 -0.718 302 HG1 THR 42 1HG THR 42 7.151 -7.387 -2.448 303 HG21 THR 42 1HG2 THR 42 6.264 -7.910 1.451 304 HG22 THR 42 2HG2 THR 42 4.888 -7.993 0.350 305 HG23 THR 42 3HG2 THR 42 5.809 -6.497 0.500 306 H ASP 43 H ASP 43 8.616 -5.755 -1.907 307 HA ASP 43 HA ASP 43 8.036 -3.654 0.012 308 HB2 ASP 43 1HB ASP 43 10.150 -2.468 -0.387 309 HB3 ASP 43 2HB ASP 43 10.431 -4.041 0.354 310 H PHE 44 H PHE 44 7.802 -1.551 -0.988 311 HA PHE 44 HA PHE 44 7.365 -1.698 -3.897 312 HB2 PHE 44 1HB PHE 44 5.427 -0.172 -3.579 313 HB3 PHE 44 2HB PHE 44 5.204 -1.736 -2.803 314 HD1 PHE 44 2HD PHE 44 5.432 -1.930 -0.340 315 HD2 PHE 44 1HD PHE 44 5.456 1.833 -2.330 316 HE1 PHE 44 2HE PHE 44 4.956 -0.803 1.794 317 HE2 PHE 44 1HE PHE 44 4.980 2.966 -0.198 318 HZ PHE 44 HZ PHE 44 4.728 1.649 1.867 319 H THR 45 H THR 45 7.049 0.645 -4.782 320 HA THR 45 HA THR 45 9.066 2.401 -3.546 321 HB THR 45 HB THR 45 8.676 2.059 -6.523 322 HG1 THR 45 1HG THR 45 10.929 1.168 -5.057 323 HG21 THR 45 1HG2 THR 45 10.887 3.416 -4.978 324 HG22 THR 45 2HG2 THR 45 9.537 4.257 -5.740 325 HG23 THR 45 3HG2 THR 45 10.693 3.366 -6.730 326 H VAL 46 H VAL 46 8.457 4.452 -3.235 327 HA VAL 46 HA VAL 46 5.878 5.300 -4.362 328 HB VAL 46 HB VAL 46 7.384 6.395 -1.982 329 HG11 VAL 46 1HG1 VAL 46 5.765 7.986 -1.702 330 HG12 VAL 46 2HG1 VAL 46 5.793 7.890 -3.464 331 HG13 VAL 46 3HG1 VAL 46 4.538 7.048 -2.553 332 HG21 VAL 46 1HG2 VAL 46 5.403 5.452 -0.736 333 HG22 VAL 46 2HG2 VAL 46 4.989 4.586 -2.216 334 HG23 VAL 46 3HG2 VAL 46 6.521 4.263 -1.405 335 H ASP 47 H ASP 47 6.294 6.280 -6.266 336 HA ASP 47 HA ASP 47 8.595 7.846 -6.799 337 HB2 ASP 47 1HB ASP 47 6.838 6.667 -8.402 338 HB3 ASP 47 2HB ASP 47 6.084 8.259 -8.359 339 H SER 48 H SER 48 9.042 9.796 -6.042 340 HA SER 48 HA SER 48 6.837 11.701 -5.644 341 HB2 SER 48 1HB SER 48 7.221 11.301 -3.420 342 HB3 SER 48 2HB SER 48 8.889 10.797 -3.689 343 HG SER 48 HG SER 48 9.456 12.969 -3.934 344 H ARG 49 H ARG 49 7.169 13.654 -6.510 345 HA ARG 49 HA ARG 49 9.912 14.374 -7.305 346 HB2 ARG 49 1HB ARG 49 7.438 14.226 -8.908 347 HB3 ARG 49 2HB ARG 49 8.403 15.676 -9.149 348 HG2 ARG 49 1HG ARG 49 10.249 14.458 -9.917 349 HG3 ARG 49 2HG ARG 49 9.613 12.937 -9.287 350 HD2 ARG 49 1HD ARG 49 7.950 12.828 -10.960 351 HD3 ARG 49 2HD ARG 49 8.215 14.505 -11.436 352 HE ARG 49 HE ARG 49 10.486 12.745 -11.781 353 HH11 ARG 49 1HH1 ARG 49 7.662 14.181 -13.224 354 HH12 ARG 49 2HH1 ARG 49 8.221 13.963 -14.849 355 HH21 ARG 49 1HH2 ARG 49 11.233 12.452 -13.916 356 HH22 ARG 49 2HH2 ARG 49 10.252 12.978 -15.242 357 HA PRO 50 HA PRO 50 7.721 18.574 -6.600 358 HB2 PRO 50 1HB PRO 50 5.029 18.598 -6.249 359 HB3 PRO 50 2HB PRO 50 5.791 18.678 -7.842 360 HG2 PRO 50 1HG PRO 50 4.600 16.324 -6.427 361 HG3 PRO 50 2HG PRO 50 4.447 16.801 -8.128 362 HD2 PRO 50 1HD PRO 50 6.144 14.858 -7.307 363 HD3 PRO 50 2HD PRO 50 6.496 15.911 -8.692 364 H LEU 51 H LEU 51 7.568 15.877 -4.758 365 HA LEU 51 HA LEU 51 6.608 17.278 -2.360 366 HB2 LEU 51 1HB LEU 51 7.174 14.337 -2.631 367 HB3 LEU 51 2HB LEU 51 6.277 15.152 -1.350 368 HG LEU 51 HG LEU 51 5.399 14.630 -4.182 369 HD11 LEU 51 1HD1 LEU 51 3.601 13.416 -3.128 370 HD12 LEU 51 2HD1 LEU 51 4.180 13.882 -1.529 371 HD13 LEU 51 3HD1 LEU 51 5.149 12.808 -2.538 372 HD21 LEU 51 1HD2 LEU 51 3.798 16.148 -2.148 373 HD22 LEU 51 2HD2 LEU 51 3.518 15.988 -3.882 374 HD23 LEU 51 3HD2 LEU 51 4.861 16.968 -3.292 375 H THR 52 H THR 52 9.215 15.102 -3.431 376 HA THR 52 HA THR 52 11.064 16.540 -1.681 377 HB THR 52 HB THR 52 10.239 14.533 -0.429 378 HG1 THR 52 1HG THR 52 12.581 13.704 -0.228 379 HG21 THR 52 1HG2 THR 52 9.913 12.727 -1.752 380 HG22 THR 52 2HG2 THR 52 11.616 12.420 -1.409 381 HG23 THR 52 3HG2 THR 52 11.148 13.222 -2.908 382 H GLN 53 H GLN 53 13.366 15.866 -2.114 383 HA GLN 53 HA GLN 53 13.735 14.980 -4.892 384 HB2 GLN 53 1HB GLN 53 15.184 17.296 -3.600 385 HB3 GLN 53 2HB GLN 53 15.430 16.701 -5.236 386 HG2 GLN 53 1HG GLN 53 14.070 18.476 -5.652 387 HG3 GLN 53 2HG GLN 53 12.866 17.202 -5.463 388 HE21 GLN 53 1HE2 GLN 53 11.165 18.102 -4.537 389 HE22 GLN 53 2HE2 GLN 53 11.189 19.091 -3.122 390 H VAL 54 H VAL 54 15.001 15.278 -1.646 391 HA VAL 54 HA VAL 54 17.184 13.427 -2.349 392 HB VAL 54 HB VAL 54 18.365 14.202 -0.373 393 HG11 VAL 54 1HG1 VAL 54 18.201 16.822 -1.124 394 HG12 VAL 54 2HG1 VAL 54 19.174 15.592 -1.934 395 HG13 VAL 54 3HG1 VAL 54 17.568 15.992 -2.545 396 HG21 VAL 54 1HG2 VAL 54 15.799 15.122 0.407 397 HG22 VAL 54 2HG2 VAL 54 17.297 15.131 1.338 398 HG23 VAL 54 3HG2 VAL 54 16.875 16.518 0.332 399 H GLY 55 H GLY 55 14.524 12.511 -1.911 400 HA2 GLY 55 1HA GLY 55 13.590 10.673 -0.870 401 HA3 GLY 55 2HA GLY 55 15.053 10.530 0.094 402 H GLY 56 H GLY 56 15.205 11.623 2.075 403 HA2 GLY 56 1HA GLY 56 14.414 12.921 3.860 404 HA3 GLY 56 2HA GLY 56 12.901 13.148 2.997 405 H ASP 57 H ASP 57 12.942 12.570 5.697 406 HA ASP 57 HA ASP 57 11.967 9.789 5.757 407 HB2 ASP 57 1HB ASP 57 14.040 10.410 7.159 408 HB3 ASP 57 2HB ASP 57 12.913 11.288 8.190 409 H HIS 58 H HIS 58 10.270 11.764 4.894 410 HA HIS 58 HA HIS 58 8.558 12.348 7.211 411 HB2 HIS 58 1HB HIS 58 9.005 13.682 4.589 412 HB3 HIS 58 2HB HIS 58 7.384 13.764 5.272 413 HD1 HIS 58 1HD HIS 58 7.640 16.318 5.650 414 HD2 HIS 58 2HD HIS 58 10.384 13.994 7.731 415 HE1 HIS 58 1HE HIS 58 8.683 17.861 7.340 416 H ILE 59 H ILE 59 8.783 9.741 5.852 417 HA ILE 59 HA ILE 59 6.025 9.498 4.842 418 HB ILE 59 HB ILE 59 8.387 7.707 4.262 419 HG12 ILE 59 1HG1 ILE 59 8.442 9.926 3.131 420 HG13 ILE 59 2HG1 ILE 59 8.285 8.582 2.006 421 HG21 ILE 59 1HG2 ILE 59 5.490 7.416 3.847 422 HG22 ILE 59 2HG2 ILE 59 6.498 7.032 2.453 423 HG23 ILE 59 3HG2 ILE 59 6.749 6.188 3.981 424 HD11 ILE 59 1HD1 ILE 59 6.395 9.396 1.194 425 HD12 ILE 59 2HD1 ILE 59 5.701 9.572 2.806 426 HD13 ILE 59 3HD1 ILE 59 6.706 10.856 2.133 427 H LYS 60 H LYS 60 4.689 7.944 5.681 428 HA LYS 60 HA LYS 60 5.741 6.133 7.720 429 HB2 LYS 60 1HB LYS 60 5.018 8.130 8.946 430 HB3 LYS 60 2HB LYS 60 3.431 8.027 8.195 431 HG2 LYS 60 1HG LYS 60 4.476 5.721 9.774 432 HG3 LYS 60 2HG LYS 60 3.793 7.123 10.600 433 HD2 LYS 60 1HD LYS 60 1.827 6.783 8.902 434 HD3 LYS 60 2HD LYS 60 2.467 5.142 8.802 435 HE2 LYS 60 1HE LYS 60 0.998 4.863 10.522 436 HE3 LYS 60 2HE LYS 60 2.421 5.354 11.439 437 HZ1 LYS 60 1HZ LYS 60 1.576 7.470 11.771 438 HZ2 LYS 60 2HZ LYS 60 0.202 6.497 11.931 439 HZ3 LYS 60 3HZ LYS 60 0.468 7.355 10.497 440 H ALA 61 H ALA 61 4.745 4.187 7.761 441 HA ALA 61 HA ALA 61 2.212 3.885 6.302 442 HB1 ALA 61 1HB ALA 61 4.631 3.095 5.248 443 HB2 ALA 61 2HB ALA 61 3.987 1.609 5.947 444 HB3 ALA 61 3HB ALA 61 3.042 2.506 4.758 445 H HIS 62 H HIS 62 0.965 2.038 6.903 446 HA HIS 62 HA HIS 62 1.825 0.496 9.211 447 HB2 HIS 62 1HB HIS 62 0.768 2.604 10.098 448 HB3 HIS 62 2HB HIS 62 -0.737 2.094 9.338 449 HD1 HIS 62 1HD HIS 62 1.490 1.387 12.238 450 HD2 HIS 62 2HD HIS 62 -2.041 -0.061 10.597 451 HE1 HIS 62 1HE HIS 62 0.490 -0.101 14.001 452 H ILE 63 H ILE 63 1.387 -1.530 8.678 453 HA ILE 63 HA ILE 63 -0.689 -2.146 6.755 454 HB ILE 63 HB ILE 63 1.270 -3.932 8.201 455 HG12 ILE 63 1HG1 ILE 63 1.241 -3.370 5.255 456 HG13 ILE 63 2HG1 ILE 63 1.978 -2.212 6.357 457 HG21 ILE 63 1HG2 ILE 63 0.316 -5.263 5.956 458 HG22 ILE 63 2HG2 ILE 63 -0.063 -5.622 7.640 459 HG23 ILE 63 3HG2 ILE 63 -1.120 -4.564 6.704 460 HD11 ILE 63 1HD1 ILE 63 3.665 -3.666 6.960 461 HD12 ILE 63 2HD1 ILE 63 2.755 -5.092 6.459 462 HD13 ILE 63 3HD1 ILE 63 3.445 -4.015 5.245 463 H ALA 64 H ALA 64 -2.525 -3.348 7.126 464 HA ALA 64 HA ALA 64 -3.152 -3.986 9.931 465 HB1 ALA 64 1HB ALA 64 -5.546 -3.311 9.330 466 HB2 ALA 64 2HB ALA 64 -4.374 -2.020 9.596 467 HB3 ALA 64 3HB ALA 64 -4.828 -2.474 7.954 468 H ASN 65 H ASN 65 -3.052 -6.164 9.869 469 HA ASN 65 HA ASN 65 -3.753 -7.782 7.683 470 HB2 ASN 65 1HB ASN 65 -3.391 -8.320 10.621 471 HB3 ASN 65 2HB ASN 65 -3.913 -9.597 9.525 472 HD21 ASN 65 1HD2 ASN 65 -1.532 -9.637 11.006 473 HD22 ASN 65 2HD2 ASN 65 -0.207 -9.607 9.897 474 HA PRO 66 HA PRO 66 -8.127 -8.105 7.813 475 HB2 PRO 66 1HB PRO 66 -8.509 -10.704 7.130 476 HB3 PRO 66 2HB PRO 66 -7.971 -9.477 5.977 477 HG2 PRO 66 1HG PRO 66 -6.358 -11.509 7.470 478 HG3 PRO 66 2HG PRO 66 -6.237 -11.013 5.772 479 HD2 PRO 66 1HD PRO 66 -4.549 -10.098 7.680 480 HD3 PRO 66 2HD PRO 66 -5.029 -9.117 6.281 481 H SER 67 H SER 67 -6.205 -9.556 10.097 482 HA SER 67 HA SER 67 -8.478 -10.776 11.509 483 HB2 SER 67 1HB SER 67 -5.497 -11.173 11.760 484 HB3 SER 67 2HB SER 67 -6.631 -11.765 12.973 485 HG SER 67 HG SER 67 -6.401 -12.516 10.259 486 H GLY 68 H GLY 68 -6.165 -8.205 11.603 487 HA2 GLY 68 1HA GLY 68 -7.056 -6.299 13.007 488 HA3 GLY 68 2HA GLY 68 -7.087 -7.475 14.312 489 H ALA 69 H ALA 69 -4.532 -8.653 13.172 490 HA ALA 69 HA ALA 69 -2.741 -7.204 14.831 491 HB1 ALA 69 1HB ALA 69 -2.772 -9.724 13.901 492 HB2 ALA 69 2HB ALA 69 -1.599 -9.007 12.796 493 HB3 ALA 69 3HB ALA 69 -1.327 -8.938 14.537 494 H SER 70 H SER 70 -0.554 -6.475 13.979 495 HA SER 70 HA SER 70 -0.807 -5.123 11.382 496 HB2 SER 70 1HB SER 70 0.251 -3.099 12.379 497 HB3 SER 70 2HB SER 70 -1.339 -3.448 13.058 498 HG SER 70 HG SER 70 0.725 -3.014 14.449 499 H THR 71 H THR 71 0.925 -5.338 10.117 500 HA THR 71 HA THR 71 3.245 -6.742 11.160 501 HB THR 71 HB THR 71 2.744 -5.860 8.314 502 HG1 THR 71 1HG THR 71 1.218 -7.450 9.536 503 HG21 THR 71 1HG2 THR 71 5.063 -6.704 9.323 504 HG22 THR 71 2HG2 THR 71 4.529 -7.141 7.700 505 HG23 THR 71 3HG2 THR 71 4.315 -8.274 9.035 506 H GLU 72 H GLU 72 5.315 -5.955 11.232 507 HA GLU 72 HA GLU 72 5.611 -3.121 11.456 508 HB2 GLU 72 1HB GLU 72 6.849 -5.062 12.713 509 HB3 GLU 72 2HB GLU 72 7.948 -4.989 11.343 510 HG2 GLU 72 1HG GLU 72 8.497 -2.714 11.816 511 HG3 GLU 72 2HG GLU 72 7.248 -2.619 13.056 512 H CYS 73 H CYS 73 6.318 -1.690 10.001 513 HA CYS 73 HA CYS 73 7.229 -2.722 7.402 514 HB2 CYS 73 1HB CYS 73 6.463 -0.594 6.454 515 HB3 CYS 73 2HB CYS 73 5.160 -1.407 7.312 516 HG CYS 73 HG CYS 73 4.631 0.484 8.979 517 H PHE 74 H PHE 74 8.931 -1.621 6.299 518 HA PHE 74 HA PHE 74 10.656 0.018 8.028 519 HB2 PHE 74 1HB PHE 74 11.866 -1.932 6.102 520 HB3 PHE 74 2HB PHE 74 12.559 -1.232 7.561 521 HD1 PHE 74 2HD PHE 74 10.690 -1.811 9.639 522 HD2 PHE 74 1HD PHE 74 11.806 -4.214 6.308 523 HE1 PHE 74 2HE PHE 74 10.080 -3.834 10.899 524 HE2 PHE 74 1HE PHE 74 11.196 -6.241 7.563 525 HZ PHE 74 HZ PHE 74 10.333 -6.053 9.861 526 H VAL 75 H VAL 75 10.663 1.964 7.108 527 HA VAL 75 HA VAL 75 10.354 2.315 4.266 528 HB VAL 75 HB VAL 75 10.931 4.347 6.426 529 HG11 VAL 75 1HG1 VAL 75 9.768 5.018 3.761 530 HG12 VAL 75 2HG1 VAL 75 10.667 6.038 4.886 531 HG13 VAL 75 3HG1 VAL 75 11.513 4.826 3.923 532 HG21 VAL 75 1HG2 VAL 75 8.808 3.932 6.997 533 HG22 VAL 75 2HG2 VAL 75 8.378 4.773 5.508 534 HG23 VAL 75 3HG2 VAL 75 8.497 3.014 5.524 535 H THR 76 H THR 76 11.880 2.836 2.787 536 HA THR 76 HA THR 76 14.625 3.310 3.718 537 HB THR 76 HB THR 76 13.857 1.349 1.547 538 HG1 THR 76 1HG THR 76 15.379 0.682 3.811 539 HG21 THR 76 1HG2 THR 76 16.027 2.836 1.375 540 HG22 THR 76 2HG2 THR 76 16.076 1.115 0.992 541 HG23 THR 76 3HG2 THR 76 16.640 1.686 2.562 542 H ASP 77 H ASP 77 14.966 5.339 3.047 543 HA ASP 77 HA ASP 77 13.866 6.316 0.560 544 HB2 ASP 77 1HB ASP 77 15.886 7.855 2.140 545 HB3 ASP 77 2HB ASP 77 14.466 8.434 1.273 546 H ASN 78 H ASN 78 14.876 6.462 -1.346 547 HA ASN 78 HA ASN 78 17.534 5.333 -1.589 548 HB2 ASN 78 1HB ASN 78 15.531 6.280 -3.647 549 HB3 ASN 78 2HB ASN 78 17.107 5.608 -4.053 550 HD21 ASN 78 1HD2 ASN 78 13.900 4.949 -3.027 551 HD22 ASN 78 2HD2 ASN 78 14.016 3.225 -3.037 552 H ALA 79 H ALA 79 16.850 8.117 -0.471 553 HA ALA 79 HA ALA 79 17.580 10.291 -0.654 554 HB1 ALA 79 1HB ALA 79 19.556 9.834 0.296 555 HB2 ALA 79 2HB ALA 79 19.849 8.444 -0.750 556 HB3 ALA 79 3HB ALA 79 20.213 10.071 -1.325 557 H ASP 80 H ASP 80 16.414 9.257 -3.111 558 HA ASP 80 HA ASP 80 17.862 10.948 -5.041 559 HB2 ASP 80 1HB ASP 80 17.999 8.465 -5.514 560 HB3 ASP 80 2HB ASP 80 16.257 8.498 -5.776 561 H GLY 81 H GLY 81 14.847 9.999 -3.620 562 HA2 GLY 81 1HA GLY 81 13.358 12.145 -3.774 563 HA3 GLY 81 2HA GLY 81 13.333 11.693 -5.473 564 H THR 82 H THR 82 13.433 8.790 -4.598 565 HA THR 82 HA THR 82 10.551 8.552 -4.069 566 HB THR 82 HB THR 82 10.755 6.259 -5.006 567 HG1 THR 82 1HG THR 82 12.706 5.697 -6.034 568 HG21 THR 82 1HG2 THR 82 10.520 6.969 -7.166 569 HG22 THR 82 2HG2 THR 82 11.935 8.020 -7.091 570 HG23 THR 82 3HG2 THR 82 10.419 8.528 -6.349 571 H TYR 83 H TYR 83 9.894 6.569 -2.847 572 HA TYR 83 HA TYR 83 11.813 6.008 -0.681 573 HB2 TYR 83 1HB TYR 83 8.804 6.111 -0.412 574 HB3 TYR 83 2HB TYR 83 9.979 5.921 0.885 575 HD1 TYR 83 1HD TYR 83 8.632 8.293 -1.609 576 HD2 TYR 83 2HD TYR 83 11.042 7.808 1.864 577 HE1 TYR 83 1HE TYR 83 8.691 10.735 -1.316 578 HE2 TYR 83 2HE TYR 83 11.106 10.248 2.167 579 HH TYR 83 HH TYR 83 9.297 12.262 1.277 580 H GLN 84 H GLN 84 11.793 3.920 0.226 581 HA GLN 84 HA GLN 84 10.295 1.886 -1.276 582 HB2 GLN 84 1HB GLN 84 12.640 2.019 -2.099 583 HB3 GLN 84 2HB GLN 84 13.200 1.646 -0.474 584 HG2 GLN 84 1HG GLN 84 13.272 -0.432 -1.366 585 HG3 GLN 84 2HG GLN 84 11.606 -0.436 -0.791 586 HE21 GLN 84 1HE2 GLN 84 10.436 -1.517 -2.207 587 HE22 GLN 84 2HE2 GLN 84 10.472 -1.311 -3.922 588 H VAL 85 H VAL 85 8.977 0.955 0.138 589 HA VAL 85 HA VAL 85 9.907 0.551 2.899 590 HB VAL 85 HB VAL 85 7.089 0.532 1.808 591 HG11 VAL 85 1HG1 VAL 85 6.915 -0.872 3.617 592 HG12 VAL 85 2HG1 VAL 85 8.238 -0.093 4.487 593 HG13 VAL 85 3HG1 VAL 85 6.662 0.692 4.390 594 HG21 VAL 85 1HG2 VAL 85 7.126 2.552 3.565 595 HG22 VAL 85 2HG2 VAL 85 8.802 2.617 3.019 596 HG23 VAL 85 3HG2 VAL 85 7.488 2.763 1.852 597 H GLU 86 H GLU 86 10.301 -1.439 3.621 598 HA GLU 86 HA GLU 86 9.331 -3.713 2.017 599 HB2 GLU 86 1HB GLU 86 11.753 -3.476 1.861 600 HB3 GLU 86 2HB GLU 86 11.886 -3.472 3.614 601 HG2 GLU 86 1HG GLU 86 10.744 -5.791 3.456 602 HG3 GLU 86 2HG GLU 86 11.264 -5.737 1.773 603 H TYR 87 H TYR 87 8.263 -5.323 3.027 604 HA TYR 87 HA TYR 87 8.363 -5.586 5.915 605 HB2 TYR 87 1HB TYR 87 6.025 -5.275 6.300 606 HB3 TYR 87 2HB TYR 87 6.591 -3.864 5.412 607 HD1 TYR 87 2HD TYR 87 4.546 -6.899 5.249 608 HD2 TYR 87 1HD TYR 87 5.880 -3.460 3.130 609 HE1 TYR 87 2HE TYR 87 2.804 -7.275 3.554 610 HE2 TYR 87 1HE TYR 87 4.141 -3.825 1.429 611 HH TYR 87 HH TYR 87 2.487 -5.131 0.738 612 H THR 88 H THR 88 7.338 -7.536 6.685 613 HA THR 88 HA THR 88 6.885 -9.536 4.568 614 HB THR 88 HB THR 88 8.200 -10.166 7.209 615 HG1 THR 88 1HG THR 88 9.547 -8.759 5.985 616 HG21 THR 88 1HG2 THR 88 8.476 -11.743 4.685 617 HG22 THR 88 2HG2 THR 88 7.011 -11.906 5.655 618 HG23 THR 88 3HG2 THR 88 8.583 -12.280 6.360 619 HA PRO 89 HA PRO 89 3.070 -9.636 7.011 620 HB2 PRO 89 1HB PRO 89 1.608 -10.834 5.062 621 HB3 PRO 89 2HB PRO 89 1.930 -9.096 5.090 622 HG2 PRO 89 1HG PRO 89 3.292 -11.251 3.521 623 HG3 PRO 89 2HG PRO 89 2.787 -9.634 2.996 624 HD2 PRO 89 1HD PRO 89 5.348 -10.217 3.654 625 HD3 PRO 89 2HD PRO 89 4.632 -8.616 3.930 626 H PHE 90 H PHE 90 2.662 -11.182 8.451 627 HA PHE 90 HA PHE 90 3.550 -13.912 7.902 628 HB2 PHE 90 1HB PHE 90 2.907 -14.143 10.424 629 HB3 PHE 90 2HB PHE 90 4.380 -13.289 9.978 630 HD1 PHE 90 1HD PHE 90 0.776 -12.657 10.672 631 HD2 PHE 90 2HD PHE 90 4.768 -11.192 10.848 632 HE1 PHE 90 1HE PHE 90 -0.010 -10.675 11.899 633 HE2 PHE 90 2HE PHE 90 3.989 -9.208 12.076 634 HZ PHE 90 HZ PHE 90 1.598 -8.947 12.604 635 H GLU 91 H GLU 91 0.958 -12.445 7.028 636 HA GLU 91 HA GLU 91 -0.788 -14.724 7.596 637 HB2 GLU 91 1HB GLU 91 -1.295 -11.883 8.319 638 HB3 GLU 91 2HB GLU 91 -2.649 -12.810 7.688 639 HG2 GLU 91 1HG GLU 91 -0.975 -13.849 9.940 640 HG3 GLU 91 2HG GLU 91 -2.300 -12.722 10.223 641 H LYS 92 H LYS 92 -1.862 -15.419 5.851 642 HA LYS 92 HA LYS 92 -1.475 -14.008 3.346 643 HB2 LYS 92 1HB LYS 92 -2.738 -16.094 2.468 644 HB3 LYS 92 2HB LYS 92 -1.100 -16.289 3.076 645 HG2 LYS 92 1HG LYS 92 -1.898 -17.183 5.142 646 HG3 LYS 92 2HG LYS 92 -3.569 -16.801 4.718 647 HD2 LYS 92 1HD LYS 92 -3.629 -18.459 3.042 648 HD3 LYS 92 2HD LYS 92 -1.874 -18.646 3.055 649 HE2 LYS 92 1HE LYS 92 -1.947 -19.652 5.239 650 HE3 LYS 92 2HE LYS 92 -3.674 -19.326 5.376 651 HZ1 LYS 92 1HZ LYS 92 -2.735 -21.657 4.601 652 HZ2 LYS 92 2HZ LYS 92 -2.798 -20.907 3.086 653 HZ3 LYS 92 3HZ LYS 92 -4.201 -21.043 4.022 654 H GLY 93 H GLY 93 -2.825 -12.232 3.403 655 HA2 GLY 93 1HA GLY 93 -5.526 -12.666 2.640 656 HA3 GLY 93 2HA GLY 93 -5.446 -12.122 4.309 657 H LEU 94 H LEU 94 -6.786 -10.399 3.105 658 HA LEU 94 HA LEU 94 -5.159 -8.448 1.689 659 HB2 LEU 94 1HB LEU 94 -7.272 -8.703 0.729 660 HB3 LEU 94 2HB LEU 94 -8.081 -8.712 2.295 661 HG LEU 94 HG LEU 94 -7.474 -6.274 2.498 662 HD11 LEU 94 1HD1 LEU 94 -6.989 -6.422 -0.462 663 HD12 LEU 94 2HD1 LEU 94 -5.676 -6.457 0.714 664 HD13 LEU 94 3HD1 LEU 94 -6.744 -5.056 0.626 665 HD21 LEU 94 1HD2 LEU 94 -9.195 -5.625 0.672 666 HD22 LEU 94 2HD2 LEU 94 -9.705 -6.652 2.012 667 HD23 LEU 94 3HD2 LEU 94 -9.349 -7.367 0.439 668 H HIS 95 H HIS 95 -4.081 -6.918 2.726 669 HA HIS 95 HA HIS 95 -4.971 -6.132 5.416 670 HB2 HIS 95 1HB HIS 95 -2.287 -5.336 4.416 671 HB3 HIS 95 2HB HIS 95 -2.785 -5.832 6.031 672 HD2 HIS 95 2HD HIS 95 -0.388 -7.147 3.753 673 HE1 HIS 95 1HE HIS 95 -2.491 -10.648 4.900 674 HE2 HIS 95 2HE HIS 95 -0.367 -9.729 3.907 675 H VAL 96 H VAL 96 -4.736 -3.866 6.018 676 HA VAL 96 HA VAL 96 -5.242 -2.088 3.724 677 HB VAL 96 HB VAL 96 -6.182 -1.821 6.583 678 HG11 VAL 96 1HG1 VAL 96 -7.141 -0.083 4.358 679 HG12 VAL 96 2HG1 VAL 96 -7.089 0.233 6.093 680 HG13 VAL 96 3HG1 VAL 96 -5.606 0.291 5.141 681 HG21 VAL 96 1HG2 VAL 96 -8.440 -2.046 5.503 682 HG22 VAL 96 2HG2 VAL 96 -7.607 -2.528 4.025 683 HG23 VAL 96 3HG2 VAL 96 -7.452 -3.507 5.483 684 H VAL 97 H VAL 97 -3.325 -1.160 3.262 685 HA VAL 97 HA VAL 97 -1.594 -0.227 5.413 686 HB VAL 97 HB VAL 97 -1.185 -0.171 2.420 687 HG11 VAL 97 1HG1 VAL 97 0.172 1.540 3.201 688 HG12 VAL 97 2HG1 VAL 97 0.515 0.712 4.720 689 HG13 VAL 97 3HG1 VAL 97 1.254 0.149 3.221 690 HG21 VAL 97 1HG2 VAL 97 -1.213 -2.379 3.941 691 HG22 VAL 97 2HG2 VAL 97 -0.145 -2.179 2.553 692 HG23 VAL 97 3HG2 VAL 97 0.461 -1.879 4.182 693 H GLU 98 H GLU 98 -1.697 1.774 6.171 694 HA GLU 98 HA GLU 98 -3.057 3.824 4.568 695 HB2 GLU 98 1HB GLU 98 -2.605 3.487 7.520 696 HB3 GLU 98 2HB GLU 98 -3.022 5.056 6.845 697 HG2 GLU 98 1HG GLU 98 -5.143 4.404 6.272 698 HG3 GLU 98 2HG GLU 98 -4.706 2.700 6.163 699 H VAL 99 H VAL 99 -1.840 5.257 3.548 700 HA VAL 99 HA VAL 99 0.872 5.792 4.560 701 HB VAL 99 HB VAL 99 -0.202 6.288 1.781 702 HG11 VAL 99 1HG1 VAL 99 1.627 7.510 1.483 703 HG12 VAL 99 2HG1 VAL 99 2.142 7.191 3.140 704 HG13 VAL 99 3HG1 VAL 99 2.611 6.092 1.842 705 HG21 VAL 99 1HG2 VAL 99 1.687 4.356 1.514 706 HG22 VAL 99 2HG2 VAL 99 0.953 3.906 3.053 707 HG23 VAL 99 3HG2 VAL 99 -0.048 4.051 1.608 708 H THR 100 H THR 100 1.572 7.867 4.897 709 HA THR 100 HA THR 100 -0.245 10.082 4.320 710 HB THR 100 HB THR 100 0.183 10.984 6.662 711 HG1 THR 100 1HG THR 100 1.728 9.672 7.492 712 HG21 THR 100 1HG2 THR 100 -1.708 9.856 7.591 713 HG22 THR 100 2HG2 THR 100 -1.447 8.448 6.562 714 HG23 THR 100 3HG2 THR 100 -1.972 9.975 5.852 715 H TYR 101 H TYR 101 0.828 11.782 3.550 716 HA TYR 101 HA TYR 101 3.727 11.937 4.052 717 HB2 TYR 101 1HB TYR 101 2.917 11.463 1.671 718 HB3 TYR 101 2HB TYR 101 2.325 13.120 1.660 719 HD1 TYR 101 1HD TYR 101 4.292 14.771 2.757 720 HD2 TYR 101 2HD TYR 101 4.879 11.212 0.501 721 HE1 TYR 101 1HE TYR 101 6.523 15.566 2.094 722 HE2 TYR 101 2HE TYR 101 7.112 11.997 -0.168 723 HH TYR 101 HH TYR 101 8.566 14.823 1.245 724 H ASP 102 H ASP 102 4.111 13.461 5.519 725 HA ASP 102 HA ASP 102 4.126 15.456 6.611 726 HB2 ASP 102 1HB ASP 102 3.189 16.380 3.893 727 HB3 ASP 102 2HB ASP 102 3.542 17.492 5.213 728 H ASP 103 H ASP 103 2.088 13.993 7.411 729 HA ASP 103 HA ASP 103 0.045 14.028 8.411 730 HB2 ASP 103 1HB ASP 103 0.649 16.974 8.231 731 HB3 ASP 103 2HB ASP 103 -0.838 16.379 8.965 732 H VAL 104 H VAL 104 0.116 13.745 5.577 733 HA VAL 104 HA VAL 104 -2.632 14.472 4.991 734 HB VAL 104 HB VAL 104 -0.386 15.335 3.164 735 HG11 VAL 104 1HG1 VAL 104 -2.487 16.480 2.063 736 HG12 VAL 104 2HG1 VAL 104 -2.039 14.820 1.666 737 HG13 VAL 104 3HG1 VAL 104 -3.335 15.132 2.822 738 HG21 VAL 104 1HG2 VAL 104 -0.663 16.786 5.126 739 HG22 VAL 104 2HG2 VAL 104 -1.121 17.605 3.633 740 HG23 VAL 104 3HG2 VAL 104 -2.367 16.995 4.721 741 HA PRO 105 HA PRO 105 -2.031 10.296 3.455 742 HB2 PRO 105 1HB PRO 105 -4.676 9.790 3.116 743 HB3 PRO 105 2HB PRO 105 -3.878 9.716 4.691 744 HG2 PRO 105 1HG PRO 105 -5.525 11.916 3.504 745 HG3 PRO 105 2HG PRO 105 -5.547 11.268 5.155 746 HD2 PRO 105 1HD PRO 105 -4.267 13.565 4.508 747 HD3 PRO 105 2HD PRO 105 -3.691 12.479 5.789 748 H ILE 106 H ILE 106 -2.000 9.409 1.429 749 HA ILE 106 HA ILE 106 -2.378 11.186 -0.790 750 HB ILE 106 HB ILE 106 -1.837 8.986 -2.092 751 HG12 ILE 106 1HG1 ILE 106 -0.719 8.228 0.602 752 HG13 ILE 106 2HG1 ILE 106 -2.277 7.629 0.041 753 HG21 ILE 106 1HG2 ILE 106 -0.258 10.727 -2.051 754 HG22 ILE 106 2HG2 ILE 106 0.050 10.517 -0.328 755 HG23 ILE 106 3HG2 ILE 106 0.610 9.303 -1.479 756 HD11 ILE 106 1HD1 ILE 106 -0.389 7.198 -2.022 757 HD12 ILE 106 2HD1 ILE 106 0.309 6.624 -0.508 758 HD13 ILE 106 3HD1 ILE 106 -1.253 6.008 -1.048 759 HA PRO 107 HA PRO 107 -6.399 10.077 -2.154 760 HB2 PRO 107 1HB PRO 107 -6.101 10.055 -4.852 761 HB3 PRO 107 2HB PRO 107 -6.102 11.543 -3.898 762 HG2 PRO 107 1HG PRO 107 -3.784 9.989 -4.982 763 HG3 PRO 107 2HG PRO 107 -4.043 11.743 -4.959 764 HD2 PRO 107 1HD PRO 107 -2.449 10.483 -3.170 765 HD3 PRO 107 2HD PRO 107 -3.377 11.940 -2.761 766 H ASN 108 H ASN 108 -3.923 7.937 -2.244 767 HA ASN 108 HA ASN 108 -5.480 5.863 -3.635 768 HB2 ASN 108 1HB ASN 108 -2.530 5.994 -2.974 769 HB3 ASN 108 2HB ASN 108 -3.323 4.594 -3.690 770 HD21 ASN 108 1HD2 ASN 108 -3.385 8.103 -4.239 771 HD22 ASN 108 2HD2 ASN 108 -3.107 8.011 -5.942 772 H SER 109 H SER 109 -4.415 6.932 -0.582 773 HA SER 109 HA SER 109 -4.639 4.312 0.668 774 HB2 SER 109 1HB SER 109 -2.886 5.582 1.601 775 HB3 SER 109 2HB SER 109 -3.866 7.047 1.668 776 HG SER 109 HG SER 109 -5.161 5.934 3.261 777 HA PRO 110 HA PRO 110 -5.016 3.632 2.828 778 HB2 PRO 110 1HB PRO 110 -6.716 1.575 3.331 779 HB3 PRO 110 2HB PRO 110 -6.517 2.947 4.427 780 HG2 PRO 110 1HG PRO 110 -8.654 2.442 2.393 781 HG3 PRO 110 2HG PRO 110 -8.809 3.060 4.047 782 HD2 PRO 110 1HD PRO 110 -8.863 4.678 1.877 783 HD3 PRO 110 2HD PRO 110 -8.201 5.198 3.440 784 H PHE 111 H PHE 111 -4.142 1.621 2.097 785 HA PHE 111 HA PHE 111 -4.777 1.080 -0.706 786 HB2 PHE 111 1HB PHE 111 -2.376 0.593 1.025 787 HB3 PHE 111 2HB PHE 111 -2.591 -0.327 -0.460 788 HD1 PHE 111 1HD PHE 111 -3.127 1.129 -2.586 789 HD2 PHE 111 2HD PHE 111 -1.221 2.575 0.934 790 HE1 PHE 111 1HE PHE 111 -2.154 2.984 -3.878 791 HE2 PHE 111 2HE PHE 111 -0.246 4.432 -0.352 792 HZ PHE 111 HZ PHE 111 -0.713 4.639 -2.761 793 H LYS 112 H LYS 112 -4.535 -1.253 -1.405 794 HA LYS 112 HA LYS 112 -5.570 -3.112 0.621 795 HB2 LYS 112 1HB LYS 112 -6.808 -2.334 -1.975 796 HB3 LYS 112 2HB LYS 112 -6.933 -4.016 -1.478 797 HG2 LYS 112 1HG LYS 112 -8.235 -3.514 0.362 798 HG3 LYS 112 2HG LYS 112 -7.686 -1.837 0.421 799 HD2 LYS 112 1HD LYS 112 -8.898 -1.442 -1.725 800 HD3 LYS 112 2HD LYS 112 -9.551 -3.077 -1.601 801 HE2 LYS 112 1HE LYS 112 -9.864 -1.227 0.712 802 HE3 LYS 112 2HE LYS 112 -10.891 -0.994 -0.702 803 HZ1 LYS 112 1HZ LYS 112 -10.670 -3.451 0.948 804 HZ2 LYS 112 2HZ LYS 112 -11.548 -3.352 -0.494 805 HZ3 LYS 112 3HZ LYS 112 -12.004 -2.417 0.840 806 H VAL 113 H VAL 113 -3.933 -4.516 0.804 807 HA VAL 113 HA VAL 113 -2.678 -5.533 -1.657 808 HB VAL 113 HB VAL 113 -1.637 -5.579 1.179 809 HG11 VAL 113 1HG1 VAL 113 -1.024 -7.545 -0.292 810 HG12 VAL 113 2HG1 VAL 113 -0.156 -6.393 -1.309 811 HG13 VAL 113 3HG1 VAL 113 0.323 -6.621 0.373 812 HG21 VAL 113 1HG2 VAL 113 -1.502 -3.364 0.295 813 HG22 VAL 113 2HG2 VAL 113 0.114 -4.067 0.224 814 HG23 VAL 113 3HG2 VAL 113 -0.864 -3.955 -1.239 815 H ALA 114 H ALA 114 -3.770 -7.301 -2.280 816 HA ALA 114 HA ALA 114 -4.755 -9.199 -0.304 817 HB1 ALA 114 1HB ALA 114 -5.889 -8.359 -2.559 818 HB2 ALA 114 2HB ALA 114 -5.018 -9.751 -3.203 819 HB3 ALA 114 3HB ALA 114 -6.181 -9.967 -1.895 820 H VAL 115 H VAL 115 -3.244 -10.533 0.484 821 HA VAL 115 HA VAL 115 -1.019 -11.437 -1.109 822 HB VAL 115 HB VAL 115 -1.871 -12.270 1.668 823 HG11 VAL 115 1HG1 VAL 115 0.772 -12.668 0.271 824 HG12 VAL 115 2HG1 VAL 115 0.352 -13.189 1.903 825 HG13 VAL 115 3HG1 VAL 115 -0.445 -13.921 0.510 826 HG21 VAL 115 1HG2 VAL 115 -1.338 -10.038 1.915 827 HG22 VAL 115 2HG2 VAL 115 0.224 -10.809 2.194 828 HG23 VAL 115 3HG2 VAL 115 -0.130 -10.074 0.630 829 H THR 116 H THR 116 -0.589 -13.546 -1.763 830 HA THR 116 HA THR 116 -2.870 -15.409 -1.672 831 HB THR 116 HB THR 116 -2.740 -14.440 -3.911 832 HG1 THR 116 1HG THR 116 -3.333 -16.404 -4.417 833 HG21 THR 116 1HG2 THR 116 0.086 -15.505 -3.906 834 HG22 THR 116 2HG2 THR 116 -0.406 -13.813 -3.991 835 HG23 THR 116 3HG2 THR 116 -0.759 -14.902 -5.332 836 H GLU 117 H GLU 117 -2.402 -17.574 -1.429 837 HA GLU 117 HA GLU 117 -0.100 -18.282 -0.025 838 HB2 GLU 117 1HB GLU 117 -2.289 -19.803 -1.365 839 HB3 GLU 117 2HB GLU 117 -0.858 -20.686 -0.850 840 HG2 GLU 117 1HG GLU 117 -2.208 -18.868 1.082 841 HG3 GLU 117 2HG GLU 117 -2.926 -20.439 0.727 842 H GLY 118 H GLY 118 1.915 -18.254 -0.772 843 HA2 GLY 118 1HA GLY 118 2.392 -19.281 -3.503 844 HA3 GLY 118 2HA GLY 118 3.312 -17.958 -2.801 845 H CYS 119 H CYS 119 4.752 -18.423 -1.039 846 HA CYS 119 HA CYS 119 6.453 -19.598 -0.092 847 HB2 CYS 119 1HB CYS 119 4.365 -21.780 -0.205 848 HB3 CYS 119 2HB CYS 119 5.900 -21.941 0.639 849 HG CYS 119 HG CYS 119 3.770 -21.449 2.451 850 H GLN 120 H GLN 120 6.381 -19.404 -2.961 851 HA GLN 120 HA GLN 120 6.880 -21.696 -4.387 852 HB2 GLN 120 1HB GLN 120 8.078 -18.943 -4.607 853 HB3 GLN 120 2HB GLN 120 8.483 -20.223 -5.744 854 HG2 GLN 120 1HG GLN 120 6.202 -20.394 -6.456 855 HG3 GLN 120 2HG GLN 120 5.684 -19.264 -5.207 856 HE21 GLN 120 1HE2 GLN 120 4.835 -17.748 -6.560 857 HE22 GLN 120 2HE2 GLN 120 5.784 -16.802 -7.649 858 HA PRO 121 HA PRO 121 10.556 -23.491 -2.781 859 HB2 PRO 121 1HB PRO 121 11.461 -24.764 -5.001 860 HB3 PRO 121 2HB PRO 121 10.060 -25.321 -4.078 861 HG2 PRO 121 1HG PRO 121 10.148 -23.719 -6.605 862 HG3 PRO 121 2HG PRO 121 9.091 -25.077 -6.178 863 HD2 PRO 121 1HD PRO 121 8.277 -22.498 -6.040 864 HD3 PRO 121 2HD PRO 121 7.678 -23.749 -4.931 865 H SER 122 H SER 122 11.952 -21.824 -2.297 866 HA SER 122 HA SER 122 13.904 -21.163 -4.389 867 HB2 SER 122 1HB SER 122 12.188 -19.304 -4.009 868 HB3 SER 122 2HB SER 122 12.923 -19.098 -2.419 869 HG SER 122 HG SER 122 14.912 -18.702 -3.483 870 H SER 123 H SER 123 16.001 -20.665 -3.635 871 HA SER 123 HA SER 123 16.496 -21.358 -0.814 872 HB2 SER 123 1HB SER 123 17.111 -23.109 -2.667 873 HB3 SER 123 2HB SER 123 18.489 -22.045 -2.948 874 HG SER 123 HG SER 123 19.353 -22.696 -1.140 875 H GLY 124 H GLY 124 18.059 -20.198 0.257 876 HA2 GLY 124 1HA GLY 124 19.783 -18.362 -1.163 877 HA3 GLY 124 2HA GLY 124 18.502 -17.580 -0.248 878 HA PRO 125 HA PRO 125 22.088 -17.946 2.604 879 HB2 PRO 125 1HB PRO 125 21.663 -15.540 3.788 880 HB3 PRO 125 2HB PRO 125 22.580 -15.724 2.289 881 HG2 PRO 125 1HG PRO 125 19.728 -14.902 2.676 882 HG3 PRO 125 2HG PRO 125 20.950 -14.223 1.585 883 HD2 PRO 125 1HD PRO 125 19.038 -15.943 0.739 884 HD3 PRO 125 2HD PRO 125 20.659 -15.887 0.018 885 H SER 126 H SER 126 22.121 -17.873 4.984 886 HA SER 126 HA SER 126 19.583 -17.819 6.368 887 HB2 SER 126 1HB SER 126 21.012 -20.363 5.738 888 HB3 SER 126 2HB SER 126 20.245 -20.209 7.319 889 HG SER 126 HG SER 126 19.045 -20.059 4.762 890 H SER 127 H SER 127 20.076 -16.600 8.061 891 HA SER 127 HA SER 127 21.109 -15.791 9.920 892 HB2 SER 127 1HB SER 127 20.982 -18.249 10.543 893 HB3 SER 127 2HB SER 127 22.656 -18.386 10.004 894 HG SER 127 HG SER 127 22.760 -16.379 11.560 895 H GLY 128 H GLY 128 22.178 -15.029 7.467 896 HA2 GLY 128 1HA GLY 128 24.581 -13.845 8.176 897 HA3 GLY 128 2HA GLY 128 25.003 -15.338 7.350 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -7.667 -16.359 19.903 2 HA2 GLY 1 1HA GLY 1 -9.867 -16.591 20.515 3 HA3 GLY 1 2HA GLY 1 -9.296 -16.319 22.155 4 H SER 2 H SER 2 -11.578 -15.380 22.156 5 HA SER 2 HA SER 2 -12.143 -12.952 20.854 6 HB2 SER 2 1HB SER 2 -13.928 -12.696 22.566 7 HB3 SER 2 2HB SER 2 -13.917 -14.300 21.835 8 HG SER 2 HG SER 2 -13.460 -13.552 24.430 9 H SER 3 H SER 3 -10.528 -11.450 21.021 10 HA SER 3 HA SER 3 -10.462 -9.873 23.398 11 HB2 SER 3 1HB SER 3 -8.813 -11.916 23.710 12 HB3 SER 3 2HB SER 3 -7.752 -10.931 22.703 13 HG SER 3 HG SER 3 -8.463 -10.612 25.316 14 H GLY 4 H GLY 4 -10.680 -7.958 22.435 15 HA2 GLY 4 1HA GLY 4 -8.881 -6.393 21.318 16 HA3 GLY 4 2HA GLY 4 -9.249 -7.420 19.940 17 H SER 5 H SER 5 -10.052 -4.605 21.553 18 HA SER 5 HA SER 5 -12.211 -4.066 19.735 19 HB2 SER 5 1HB SER 5 -12.751 -4.392 22.688 20 HB3 SER 5 2HB SER 5 -13.811 -3.467 21.624 21 HG SER 5 HG SER 5 -14.133 -5.900 22.034 22 H SER 6 H SER 6 -12.766 -1.857 19.640 23 HA SER 6 HA SER 6 -11.477 0.019 21.425 24 HB2 SER 6 1HB SER 6 -10.359 1.219 19.498 25 HB3 SER 6 2HB SER 6 -9.629 -0.323 19.943 26 HG SER 6 HG SER 6 -11.622 -0.347 17.993 27 H GLY 7 H GLY 7 -12.240 2.179 21.175 28 HA2 GLY 7 1HA GLY 7 -14.083 2.949 19.164 29 HA3 GLY 7 2HA GLY 7 -14.950 2.420 20.598 30 H HIS 8 H HIS 8 -12.738 4.801 19.291 31 HA HIS 8 HA HIS 8 -13.684 6.732 21.235 32 HB2 HIS 8 1HB HIS 8 -11.372 7.424 21.861 33 HB3 HIS 8 2HB HIS 8 -11.802 5.819 22.443 34 HD1 HIS 8 1HD HIS 8 -10.942 3.832 20.666 35 HD2 HIS 8 2HD HIS 8 -8.946 7.476 20.685 36 HE1 HIS 8 1HE HIS 8 -8.709 3.381 19.602 37 H PHE 9 H PHE 9 -13.844 8.717 20.369 38 HA PHE 9 HA PHE 9 -12.322 9.310 17.928 39 HB2 PHE 9 1HB PHE 9 -14.278 10.237 16.847 40 HB3 PHE 9 2HB PHE 9 -14.626 8.579 17.327 41 HD1 PHE 9 1HD PHE 9 -15.799 8.300 19.640 42 HD2 PHE 9 2HD PHE 9 -15.776 11.903 17.372 43 HE1 PHE 9 1HE PHE 9 -17.800 9.070 20.848 44 HE2 PHE 9 2HE PHE 9 -17.776 12.678 18.578 45 HZ PHE 9 HZ PHE 9 -18.790 11.262 20.319 46 HA PRO 10 HA PRO 10 -11.596 12.824 20.671 47 HB2 PRO 10 1HB PRO 10 -9.421 13.710 19.310 48 HB3 PRO 10 2HB PRO 10 -9.350 12.381 20.474 49 HG2 PRO 10 1HG PRO 10 -9.500 12.277 17.486 50 HG3 PRO 10 2HG PRO 10 -8.499 11.316 18.590 51 HD2 PRO 10 1HD PRO 10 -10.785 10.364 17.495 52 HD3 PRO 10 2HD PRO 10 -10.226 9.882 19.110 53 H ALA 11 H ALA 11 -11.281 15.188 20.210 54 HA ALA 11 HA ALA 11 -13.317 16.318 18.832 55 HB1 ALA 11 1HB ALA 11 -10.810 17.254 19.919 56 HB2 ALA 11 2HB ALA 11 -11.273 18.170 18.484 57 HB3 ALA 11 3HB ALA 11 -12.379 18.057 19.853 58 H ARG 12 H ARG 12 -13.329 17.646 16.837 59 HA ARG 12 HA ARG 12 -11.921 16.227 14.679 60 HB2 ARG 12 1HB ARG 12 -14.532 17.735 14.721 61 HB3 ARG 12 2HB ARG 12 -13.742 17.249 13.228 62 HG2 ARG 12 1HG ARG 12 -14.534 15.328 15.403 63 HG3 ARG 12 2HG ARG 12 -15.545 15.717 14.010 64 HD2 ARG 12 1HD ARG 12 -12.757 14.574 13.870 65 HD3 ARG 12 2HD ARG 12 -14.244 13.641 13.703 66 HE ARG 12 HE ARG 12 -13.977 15.847 11.858 67 HH11 ARG 12 1HH1 ARG 12 -13.400 12.464 12.442 68 HH12 ARG 12 2HH1 ARG 12 -13.305 12.056 10.761 69 HH21 ARG 12 1HH2 ARG 12 -13.855 15.323 9.641 70 HH22 ARG 12 2HH2 ARG 12 -13.564 13.683 9.169 71 H VAL 13 H VAL 13 -10.596 18.249 16.148 72 HA VAL 13 HA VAL 13 -10.562 20.814 15.429 73 HB VAL 13 HB VAL 13 -8.123 20.838 15.504 74 HG11 VAL 13 1HG1 VAL 13 -9.515 20.529 17.577 75 HG12 VAL 13 2HG1 VAL 13 -9.129 18.810 17.489 76 HG13 VAL 13 3HG1 VAL 13 -7.840 19.995 17.706 77 HG21 VAL 13 1HG2 VAL 13 -8.442 17.889 15.071 78 HG22 VAL 13 2HG2 VAL 13 -7.412 19.033 14.211 79 HG23 VAL 13 3HG2 VAL 13 -7.005 18.544 15.856 80 H LYS 14 H LYS 14 -10.089 22.110 13.707 81 HA LYS 14 HA LYS 14 -10.254 20.913 11.098 82 HB2 LYS 14 1HB LYS 14 -9.888 23.442 10.458 83 HB3 LYS 14 2HB LYS 14 -11.423 22.893 11.118 84 HG2 LYS 14 1HG LYS 14 -9.341 23.866 13.003 85 HG3 LYS 14 2HG LYS 14 -10.227 25.045 12.033 86 HD2 LYS 14 1HD LYS 14 -11.789 22.941 13.437 87 HD3 LYS 14 2HD LYS 14 -11.094 24.241 14.409 88 HE2 LYS 14 1HE LYS 14 -12.913 24.575 12.024 89 HE3 LYS 14 2HE LYS 14 -13.371 24.777 13.714 90 HZ1 LYS 14 1HZ LYS 14 -12.799 26.893 13.490 91 HZ2 LYS 14 2HZ LYS 14 -12.125 26.633 11.961 92 HZ3 LYS 14 3HZ LYS 14 -11.185 26.404 13.349 93 H VAL 15 H VAL 15 -8.608 20.310 9.862 94 HA VAL 15 HA VAL 15 -6.025 21.670 10.137 95 HB VAL 15 HB VAL 15 -6.362 18.667 10.145 96 HG11 VAL 15 1HG1 VAL 15 -3.768 20.150 10.413 97 HG12 VAL 15 2HG1 VAL 15 -4.038 18.447 10.038 98 HG13 VAL 15 3HG1 VAL 15 -4.404 19.684 8.835 99 HG21 VAL 15 1HG2 VAL 15 -4.917 20.144 12.277 100 HG22 VAL 15 2HG2 VAL 15 -6.679 20.211 12.280 101 HG23 VAL 15 3HG2 VAL 15 -5.856 18.654 12.369 102 H GLU 16 H GLU 16 -5.765 22.543 8.183 103 HA GLU 16 HA GLU 16 -6.690 21.148 5.805 104 HB2 GLU 16 1HB GLU 16 -6.300 23.180 4.626 105 HB3 GLU 16 2HB GLU 16 -7.040 23.616 6.160 106 HG2 GLU 16 1HG GLU 16 -5.045 24.459 7.022 107 HG3 GLU 16 2HG GLU 16 -4.068 23.636 5.808 108 HA PRO 17 HA PRO 17 -2.804 19.470 4.635 109 HB2 PRO 17 1HB PRO 17 -3.044 19.509 1.931 110 HB3 PRO 17 2HB PRO 17 -3.931 18.376 2.957 111 HG2 PRO 17 1HG PRO 17 -4.858 20.943 1.727 112 HG3 PRO 17 2HG PRO 17 -5.704 19.389 1.845 113 HD2 PRO 17 1HD PRO 17 -6.212 21.455 3.520 114 HD3 PRO 17 2HD PRO 17 -6.343 19.759 4.028 115 H ALA 18 H ALA 18 -0.886 20.440 4.718 116 HA ALA 18 HA ALA 18 -0.543 23.056 3.440 117 HB1 ALA 18 1HB ALA 18 1.334 23.385 4.889 118 HB2 ALA 18 2HB ALA 18 -0.015 22.795 5.861 119 HB3 ALA 18 3HB ALA 18 1.292 21.700 5.409 120 H VAL 19 H VAL 19 -0.283 20.086 2.388 121 HA VAL 19 HA VAL 19 1.988 20.707 0.663 122 HB VAL 19 HB VAL 19 2.878 19.330 2.545 123 HG11 VAL 19 1HG1 VAL 19 1.294 17.846 3.250 124 HG12 VAL 19 2HG1 VAL 19 0.711 17.520 1.616 125 HG13 VAL 19 3HG1 VAL 19 2.219 16.796 2.178 126 HG21 VAL 19 1HG2 VAL 19 4.058 17.722 1.113 127 HG22 VAL 19 2HG2 VAL 19 2.899 18.033 -0.179 128 HG23 VAL 19 3HG2 VAL 19 3.971 19.320 0.373 129 H ASP 20 H ASP 20 2.034 19.458 -1.292 130 HA ASP 20 HA ASP 20 -0.636 18.508 -2.048 131 HB2 ASP 20 1HB ASP 20 1.521 18.926 -4.066 132 HB3 ASP 20 2HB ASP 20 -0.213 19.203 -4.203 133 H THR 21 H THR 21 -0.901 16.386 -1.871 134 HA THR 21 HA THR 21 1.268 14.627 -2.809 135 HB THR 21 HB THR 21 0.724 12.993 -1.112 136 HG1 THR 21 1HG THR 21 -1.271 13.079 -0.403 137 HG21 THR 21 1HG2 THR 21 2.364 14.429 -0.289 138 HG22 THR 21 2HG2 THR 21 1.142 14.457 0.983 139 HG23 THR 21 3HG2 THR 21 1.249 15.789 -0.167 140 H SER 22 H SER 22 -0.991 15.649 -4.296 141 HA SER 22 HA SER 22 -2.775 13.352 -4.550 142 HB2 SER 22 1HB SER 22 -4.080 14.781 -6.058 143 HB3 SER 22 2HB SER 22 -3.767 15.609 -4.532 144 HG SER 22 HG SER 22 -2.168 16.807 -5.542 145 H ARG 23 H ARG 23 0.178 14.132 -5.674 146 HA ARG 23 HA ARG 23 -0.286 12.843 -8.284 147 HB2 ARG 23 1HB ARG 23 1.714 14.930 -7.444 148 HB3 ARG 23 2HB ARG 23 1.954 13.948 -8.882 149 HG2 ARG 23 1HG ARG 23 0.018 14.834 -9.920 150 HG3 ARG 23 2HG ARG 23 -0.510 15.604 -8.422 151 HD2 ARG 23 1HD ARG 23 1.429 17.085 -8.493 152 HD3 ARG 23 2HD ARG 23 1.980 16.302 -9.974 153 HE ARG 23 HE ARG 23 -0.676 17.424 -10.114 154 HH11 ARG 23 1HH1 ARG 23 2.730 17.969 -10.587 155 HH12 ARG 23 2HH1 ARG 23 2.499 19.272 -11.705 156 HH21 ARG 23 1HH2 ARG 23 -0.993 19.138 -11.585 157 HH22 ARG 23 2HH2 ARG 23 0.381 19.937 -12.271 158 H ILE 24 H ILE 24 0.553 12.004 -5.356 159 HA ILE 24 HA ILE 24 3.095 10.729 -5.786 160 HB ILE 24 HB ILE 24 1.084 10.603 -3.551 161 HG12 ILE 24 1HG1 ILE 24 3.893 11.686 -3.822 162 HG13 ILE 24 2HG1 ILE 24 2.414 12.609 -3.577 163 HG21 ILE 24 1HG2 ILE 24 3.397 9.372 -2.638 164 HG22 ILE 24 2HG2 ILE 24 1.857 8.592 -2.996 165 HG23 ILE 24 3HG2 ILE 24 3.118 8.661 -4.227 166 HD11 ILE 24 1HD1 ILE 24 2.774 12.533 -1.401 167 HD12 ILE 24 2HD1 ILE 24 2.595 10.779 -1.448 168 HD13 ILE 24 3HD1 ILE 24 4.188 11.509 -1.644 169 H LYS 25 H LYS 25 3.393 8.892 -6.840 170 HA LYS 25 HA LYS 25 1.157 6.978 -7.000 171 HB2 LYS 25 1HB LYS 25 3.244 7.779 -9.001 172 HB3 LYS 25 2HB LYS 25 2.490 6.193 -9.100 173 HG2 LYS 25 1HG LYS 25 0.799 8.650 -8.927 174 HG3 LYS 25 2HG LYS 25 1.515 8.162 -10.465 175 HD2 LYS 25 1HD LYS 25 0.494 5.863 -10.007 176 HD3 LYS 25 2HD LYS 25 -0.455 6.667 -8.755 177 HE2 LYS 25 1HE LYS 25 -1.292 8.245 -10.475 178 HE3 LYS 25 2HE LYS 25 -0.423 7.322 -11.700 179 HZ1 LYS 25 1HZ LYS 25 -1.763 5.351 -10.772 180 HZ2 LYS 25 2HZ LYS 25 -2.544 6.452 -11.791 181 HZ3 LYS 25 3HZ LYS 25 -2.782 6.533 -10.118 182 H VAL 26 H VAL 26 1.667 4.734 -6.952 183 HA VAL 26 HA VAL 26 4.346 4.064 -5.948 184 HB VAL 26 HB VAL 26 3.377 2.559 -4.266 185 HG11 VAL 26 1HG1 VAL 26 2.073 5.132 -3.612 186 HG12 VAL 26 2HG1 VAL 26 3.231 4.177 -2.685 187 HG13 VAL 26 3HG1 VAL 26 3.789 5.189 -4.017 188 HG21 VAL 26 1HG2 VAL 26 0.733 3.817 -4.993 189 HG22 VAL 26 2HG2 VAL 26 1.222 2.173 -5.405 190 HG23 VAL 26 3HG2 VAL 26 1.019 2.634 -3.715 191 H PHE 27 H PHE 27 5.173 2.189 -6.703 192 HA PHE 27 HA PHE 27 3.397 0.294 -8.054 193 HB2 PHE 27 1HB PHE 27 5.230 0.149 -9.877 194 HB3 PHE 27 2HB PHE 27 4.094 1.493 -9.938 195 HD1 PHE 27 2HD PHE 27 7.507 0.544 -8.857 196 HD2 PHE 27 1HD PHE 27 4.845 3.703 -9.881 197 HE1 PHE 27 2HE PHE 27 9.389 2.128 -8.845 198 HE2 PHE 27 1HE PHE 27 6.723 5.293 -9.871 199 HZ PHE 27 HZ PHE 27 8.998 4.507 -9.351 200 H GLY 28 H GLY 28 3.896 -1.779 -7.656 201 HA2 GLY 28 1HA GLY 28 6.214 -3.107 -7.506 202 HA3 GLY 28 2HA GLY 28 6.175 -2.319 -5.935 203 HA PRO 29 HA PRO 29 3.765 -6.410 -5.997 204 HB2 PRO 29 1HB PRO 29 5.505 -7.885 -4.525 205 HB3 PRO 29 2HB PRO 29 5.571 -7.800 -6.290 206 HG2 PRO 29 1HG PRO 29 7.202 -6.324 -4.259 207 HG3 PRO 29 2HG PRO 29 7.725 -7.094 -5.769 208 HD2 PRO 29 1HD PRO 29 7.324 -4.424 -5.558 209 HD3 PRO 29 2HD PRO 29 7.028 -5.318 -7.063 210 H GLY 30 H GLY 30 5.660 -4.744 -3.522 211 HA2 GLY 30 1HA GLY 30 4.371 -5.773 -1.252 212 HA3 GLY 30 2HA GLY 30 5.194 -4.222 -1.337 213 H ILE 31 H ILE 31 3.307 -3.453 -3.583 214 HA ILE 31 HA ILE 31 1.010 -2.788 -1.861 215 HB ILE 31 HB ILE 31 2.533 -0.890 -2.625 216 HG12 ILE 31 1HG1 ILE 31 0.489 0.531 -3.301 217 HG13 ILE 31 2HG1 ILE 31 -0.439 -0.952 -3.104 218 HG21 ILE 31 1HG2 ILE 31 2.926 -0.564 -4.786 219 HG22 ILE 31 2HG2 ILE 31 2.054 -2.058 -5.127 220 HG23 ILE 31 3HG2 ILE 31 1.199 -0.516 -5.137 221 HD11 ILE 31 1HD1 ILE 31 -0.551 -0.620 -0.925 222 HD12 ILE 31 2HD1 ILE 31 1.209 -0.566 -0.809 223 HD13 ILE 31 3HD1 ILE 31 0.301 0.909 -1.138 224 H GLU 32 H GLU 32 2.020 -4.333 -4.720 225 HA GLU 32 HA GLU 32 -0.600 -4.184 -5.985 226 HB2 GLU 32 1HB GLU 32 2.006 -5.451 -6.829 227 HB3 GLU 32 2HB GLU 32 0.518 -5.607 -7.751 228 HG2 GLU 32 1HG GLU 32 1.480 -2.887 -7.027 229 HG3 GLU 32 2HG GLU 32 2.282 -3.764 -8.329 230 H GLY 33 H GLY 33 1.579 -6.626 -4.604 231 HA2 GLY 33 1HA GLY 33 0.708 -8.396 -3.229 232 HA3 GLY 33 2HA GLY 33 -0.779 -8.334 -4.163 233 H LYS 34 H LYS 34 2.616 -8.528 -5.198 234 HA LYS 34 HA LYS 34 1.898 -10.808 -6.885 235 HB2 LYS 34 1HB LYS 34 4.563 -9.420 -6.899 236 HB3 LYS 34 2HB LYS 34 3.784 -10.317 -8.195 237 HG2 LYS 34 1HG LYS 34 2.456 -7.855 -7.195 238 HG3 LYS 34 2HG LYS 34 3.894 -7.688 -8.205 239 HD2 LYS 34 1HD LYS 34 2.290 -7.720 -9.831 240 HD3 LYS 34 2HD LYS 34 2.606 -9.452 -9.700 241 HE2 LYS 34 1HE LYS 34 0.535 -8.269 -7.927 242 HE3 LYS 34 2HE LYS 34 0.147 -8.459 -9.636 243 HZ1 LYS 34 1HZ LYS 34 1.329 -10.829 -8.783 244 HZ2 LYS 34 2HZ LYS 34 -0.281 -10.579 -9.238 245 HZ3 LYS 34 3HZ LYS 34 0.175 -10.416 -7.617 246 H ASP 35 H ASP 35 4.847 -9.941 -5.081 247 HA ASP 35 HA ASP 35 5.093 -12.766 -4.305 248 HB2 ASP 35 1HB ASP 35 7.507 -11.991 -3.749 249 HB3 ASP 35 2HB ASP 35 7.054 -12.207 -5.438 250 H VAL 36 H VAL 36 3.385 -10.789 -2.965 251 HA VAL 36 HA VAL 36 4.707 -10.160 -0.473 252 HB VAL 36 HB VAL 36 1.769 -9.934 -1.134 253 HG11 VAL 36 1HG1 VAL 36 2.389 -7.956 0.645 254 HG12 VAL 36 2HG1 VAL 36 1.668 -9.511 1.065 255 HG13 VAL 36 3HG1 VAL 36 3.412 -9.281 1.197 256 HG21 VAL 36 1HG2 VAL 36 2.642 -8.527 -2.716 257 HG22 VAL 36 2HG2 VAL 36 2.551 -7.426 -1.341 258 HG23 VAL 36 3HG2 VAL 36 4.088 -8.178 -1.767 259 H PHE 37 H PHE 37 3.959 -13.001 -1.575 260 HA PHE 37 HA PHE 37 2.128 -14.318 -0.073 261 HB2 PHE 37 1HB PHE 37 4.900 -15.442 -0.449 262 HB3 PHE 37 2HB PHE 37 3.372 -16.313 -0.400 263 HD1 PHE 37 1HD PHE 37 1.692 -14.845 -2.241 264 HD2 PHE 37 2HD PHE 37 5.828 -15.807 -2.525 265 HE1 PHE 37 1HE PHE 37 1.547 -14.730 -4.695 266 HE2 PHE 37 2HE PHE 37 5.690 -15.693 -4.978 267 HZ PHE 37 HZ PHE 37 3.547 -15.154 -6.067 268 H ARG 38 H ARG 38 2.103 -15.411 1.929 269 HA ARG 38 HA ARG 38 2.938 -13.998 4.136 270 HB2 ARG 38 1HB ARG 38 1.264 -15.935 3.985 271 HB3 ARG 38 2HB ARG 38 2.653 -16.995 4.176 272 HG2 ARG 38 1HG ARG 38 3.126 -16.122 6.336 273 HG3 ARG 38 2HG ARG 38 1.951 -14.822 6.131 274 HD2 ARG 38 1HD ARG 38 0.135 -16.265 6.346 275 HD3 ARG 38 2HD ARG 38 1.106 -17.691 5.981 276 HE ARG 38 HE ARG 38 1.892 -16.356 8.399 277 HH11 ARG 38 1HH1 ARG 38 -0.276 -18.693 6.999 278 HH12 ARG 38 2HH1 ARG 38 -0.534 -19.539 8.489 279 HH21 ARG 38 1HH2 ARG 38 1.559 -17.461 10.367 280 HH22 ARG 38 2HH2 ARG 38 0.509 -18.837 10.404 281 H GLU 39 H GLU 39 4.691 -13.998 5.477 282 HA GLU 39 HA GLU 39 6.865 -14.215 6.113 283 HB2 GLU 39 1HB GLU 39 6.213 -16.965 5.123 284 HB3 GLU 39 2HB GLU 39 7.864 -16.579 5.586 285 HG2 GLU 39 1HG GLU 39 5.406 -16.499 7.310 286 HG3 GLU 39 2HG GLU 39 6.801 -17.567 7.460 287 H ALA 40 H ALA 40 6.227 -13.161 3.466 288 HA ALA 40 HA ALA 40 8.735 -13.820 2.063 289 HB1 ALA 40 1HB ALA 40 6.543 -14.383 0.905 290 HB2 ALA 40 2HB ALA 40 6.309 -12.643 0.739 291 HB3 ALA 40 3HB ALA 40 7.703 -13.420 -0.011 292 H THR 41 H THR 41 10.061 -12.175 1.414 293 HA THR 41 HA THR 41 9.656 -9.619 2.708 294 HB THR 41 HB THR 41 11.957 -10.518 0.962 295 HG1 THR 41 1HG THR 41 12.039 -10.361 3.779 296 HG21 THR 41 1HG2 THR 41 12.675 -8.417 1.147 297 HG22 THR 41 2HG2 THR 41 12.746 -8.626 2.897 298 HG23 THR 41 3HG2 THR 41 11.283 -7.995 2.143 299 H THR 42 H THR 42 8.154 -8.407 1.672 300 HA THR 42 HA THR 42 8.638 -7.833 -1.180 301 HB THR 42 HB THR 42 6.485 -9.070 -0.662 302 HG1 THR 42 1HG THR 42 6.954 -7.475 -2.481 303 HG21 THR 42 1HG2 THR 42 6.041 -7.737 1.438 304 HG22 THR 42 2HG2 THR 42 4.669 -7.910 0.343 305 HG23 THR 42 3HG2 THR 42 5.574 -6.398 0.391 306 H ASP 43 H ASP 43 8.482 -5.704 -1.869 307 HA ASP 43 HA ASP 43 7.840 -3.622 0.052 308 HB2 ASP 43 1HB ASP 43 9.931 -2.519 0.003 309 HB3 ASP 43 2HB ASP 43 10.313 -4.214 0.291 310 H PHE 44 H PHE 44 7.424 -1.596 -0.901 311 HA PHE 44 HA PHE 44 7.101 -1.702 -3.827 312 HB2 PHE 44 1HB PHE 44 5.244 -0.066 -3.497 313 HB3 PHE 44 2HB PHE 44 4.948 -1.627 -2.739 314 HD1 PHE 44 1HD PHE 44 5.645 1.913 -2.167 315 HD2 PHE 44 2HD PHE 44 4.902 -1.856 -0.335 316 HE1 PHE 44 1HE PHE 44 5.232 3.042 -0.020 317 HE2 PHE 44 2HE PHE 44 4.486 -0.734 1.814 318 HZ PHE 44 HZ PHE 44 4.650 1.718 1.974 319 H THR 45 H THR 45 6.907 0.625 -4.756 320 HA THR 45 HA THR 45 9.041 2.281 -3.575 321 HB THR 45 HB THR 45 8.479 1.937 -6.527 322 HG1 THR 45 1HG THR 45 10.850 1.098 -5.260 323 HG21 THR 45 1HG2 THR 45 10.179 3.426 -6.959 324 HG22 THR 45 2HG2 THR 45 10.965 3.146 -5.406 325 HG23 THR 45 3HG2 THR 45 9.504 4.128 -5.490 326 H VAL 46 H VAL 46 8.605 4.385 -3.274 327 HA VAL 46 HA VAL 46 6.006 5.378 -4.229 328 HB VAL 46 HB VAL 46 7.705 6.337 -1.921 329 HG11 VAL 46 1HG1 VAL 46 6.436 8.137 -3.090 330 HG12 VAL 46 2HG1 VAL 46 4.949 7.262 -2.719 331 HG13 VAL 46 3HG1 VAL 46 5.953 7.889 -1.412 332 HG21 VAL 46 1HG2 VAL 46 6.736 4.395 -1.143 333 HG22 VAL 46 2HG2 VAL 46 5.519 5.594 -0.703 334 HG23 VAL 46 3HG2 VAL 46 5.291 4.591 -2.136 335 H ASP 47 H ASP 47 6.046 6.760 -5.862 336 HA ASP 47 HA ASP 47 8.517 8.126 -6.560 337 HB2 ASP 47 1HB ASP 47 6.785 6.933 -8.160 338 HB3 ASP 47 2HB ASP 47 5.979 8.497 -8.094 339 H SER 48 H SER 48 8.951 10.152 -6.013 340 HA SER 48 HA SER 48 6.724 11.990 -5.468 341 HB2 SER 48 1HB SER 48 9.202 12.090 -3.777 342 HB3 SER 48 2HB SER 48 7.586 12.701 -3.421 343 HG SER 48 HG SER 48 8.553 10.059 -3.314 344 H ARG 49 H ARG 49 7.095 14.147 -5.962 345 HA ARG 49 HA ARG 49 9.682 14.809 -7.183 346 HB2 ARG 49 1HB ARG 49 7.026 14.760 -8.473 347 HB3 ARG 49 2HB ARG 49 7.985 16.202 -8.779 348 HG2 ARG 49 1HG ARG 49 8.667 14.894 -10.512 349 HG3 ARG 49 2HG ARG 49 9.865 14.437 -9.300 350 HD2 ARG 49 1HD ARG 49 8.606 12.456 -8.741 351 HD3 ARG 49 2HD ARG 49 7.300 12.941 -9.822 352 HE ARG 49 HE ARG 49 8.501 12.109 -11.582 353 HH11 ARG 49 1HH1 ARG 49 10.621 12.510 -8.850 354 HH12 ARG 49 2HH1 ARG 49 11.962 11.717 -9.608 355 HH21 ARG 49 1HH2 ARG 49 10.259 11.064 -12.591 356 HH22 ARG 49 2HH2 ARG 49 11.755 10.896 -11.737 357 HA PRO 50 HA PRO 50 7.660 19.002 -6.053 358 HB2 PRO 50 1HB PRO 50 5.035 19.039 -5.361 359 HB3 PRO 50 2HB PRO 50 5.589 19.173 -7.034 360 HG2 PRO 50 1HG PRO 50 4.553 16.777 -5.568 361 HG3 PRO 50 2HG PRO 50 4.193 17.323 -7.216 362 HD2 PRO 50 1HD PRO 50 5.952 15.332 -6.692 363 HD3 PRO 50 2HD PRO 50 6.141 16.435 -8.070 364 H LEU 51 H LEU 51 7.638 16.216 -4.307 365 HA LEU 51 HA LEU 51 7.090 17.573 -1.755 366 HB2 LEU 51 1HB LEU 51 7.452 14.618 -2.028 367 HB3 LEU 51 2HB LEU 51 6.560 15.523 -0.807 368 HG LEU 51 HG LEU 51 5.716 14.948 -3.642 369 HD11 LEU 51 1HD1 LEU 51 4.736 13.184 -2.727 370 HD12 LEU 51 2HD1 LEU 51 3.756 14.274 -1.746 371 HD13 LEU 51 3HD1 LEU 51 5.287 13.662 -1.121 372 HD21 LEU 51 1HD2 LEU 51 3.867 16.320 -1.802 373 HD22 LEU 51 2HD2 LEU 51 4.086 16.503 -3.543 374 HD23 LEU 51 3HD2 LEU 51 5.198 17.294 -2.425 375 H THR 52 H THR 52 9.439 15.577 -3.473 376 HA THR 52 HA THR 52 11.559 16.660 -1.806 377 HB THR 52 HB THR 52 10.741 14.515 -0.708 378 HG1 THR 52 1HG THR 52 13.427 14.243 -1.530 379 HG21 THR 52 1HG2 THR 52 10.603 13.426 -3.098 380 HG22 THR 52 2HG2 THR 52 11.048 12.457 -1.694 381 HG23 THR 52 3HG2 THR 52 12.297 13.048 -2.789 382 H GLN 53 H GLN 53 13.730 16.061 -2.640 383 HA GLN 53 HA GLN 53 13.680 15.388 -5.503 384 HB2 GLN 53 1HB GLN 53 15.297 17.593 -4.213 385 HB3 GLN 53 2HB GLN 53 15.417 17.096 -5.895 386 HG2 GLN 53 1HG GLN 53 14.036 18.892 -6.101 387 HG3 GLN 53 2HG GLN 53 12.845 17.609 -5.898 388 HE21 GLN 53 1HE2 GLN 53 11.250 18.214 -4.640 389 HE22 GLN 53 2HE2 GLN 53 11.374 19.210 -3.234 390 H VAL 54 H VAL 54 15.406 15.392 -2.459 391 HA VAL 54 HA VAL 54 17.242 13.370 -3.566 392 HB VAL 54 HB VAL 54 19.027 14.172 -2.147 393 HG11 VAL 54 1HG1 VAL 54 18.687 16.774 -3.115 394 HG12 VAL 54 2HG1 VAL 54 19.538 15.441 -3.899 395 HG13 VAL 54 3HG1 VAL 54 17.834 15.730 -4.251 396 HG21 VAL 54 1HG2 VAL 54 17.021 15.267 -0.609 397 HG22 VAL 54 2HG2 VAL 54 18.752 15.527 -0.391 398 HG23 VAL 54 3HG2 VAL 54 17.798 16.679 -1.324 399 H GLY 55 H GLY 55 14.784 12.773 -2.340 400 HA2 GLY 55 1HA GLY 55 13.986 11.243 -0.817 401 HA3 GLY 55 2HA GLY 55 15.650 10.944 -0.338 402 H GLY 56 H GLY 56 13.624 10.935 1.529 403 HA2 GLY 56 1HA GLY 56 14.564 12.984 3.324 404 HA3 GLY 56 2HA GLY 56 12.888 13.198 2.843 405 H ASP 57 H ASP 57 12.536 12.957 5.189 406 HA ASP 57 HA ASP 57 12.162 10.120 5.850 407 HB2 ASP 57 1HB ASP 57 14.186 11.240 7.010 408 HB3 ASP 57 2HB ASP 57 12.978 12.100 7.961 409 H HIS 58 H HIS 58 10.282 11.979 4.790 410 HA HIS 58 HA HIS 58 8.524 12.476 7.095 411 HB2 HIS 58 1HB HIS 58 8.806 13.776 4.415 412 HB3 HIS 58 2HB HIS 58 7.245 13.825 5.230 413 HD1 HIS 58 1HD HIS 58 6.931 15.691 6.832 414 HD2 HIS 58 2HD HIS 58 10.950 14.920 6.110 415 HE1 HIS 58 1HE HIS 58 8.191 17.488 8.058 416 H ILE 59 H ILE 59 9.015 9.925 5.534 417 HA ILE 59 HA ILE 59 6.293 9.460 4.527 418 HB ILE 59 HB ILE 59 8.860 7.941 4.084 419 HG12 ILE 59 1HG1 ILE 59 8.651 9.884 2.674 420 HG13 ILE 59 2HG1 ILE 59 8.333 8.458 1.692 421 HG21 ILE 59 1HG2 ILE 59 7.290 6.600 2.495 422 HG22 ILE 59 2HG2 ILE 59 7.373 6.185 4.207 423 HG23 ILE 59 3HG2 ILE 59 6.025 7.144 3.597 424 HD11 ILE 59 1HD1 ILE 59 6.494 10.616 2.563 425 HD12 ILE 59 2HD1 ILE 59 6.643 9.810 1.000 426 HD13 ILE 59 3HD1 ILE 59 5.839 8.994 2.341 427 H LYS 60 H LYS 60 5.021 7.815 5.320 428 HA LYS 60 HA LYS 60 6.032 6.056 7.391 429 HB2 LYS 60 1HB LYS 60 5.370 8.169 8.565 430 HB3 LYS 60 2HB LYS 60 3.727 7.916 7.991 431 HG2 LYS 60 1HG LYS 60 5.039 5.714 9.489 432 HG3 LYS 60 2HG LYS 60 4.498 7.135 10.386 433 HD2 LYS 60 1HD LYS 60 2.252 6.844 9.310 434 HD3 LYS 60 2HD LYS 60 2.833 5.310 8.657 435 HE2 LYS 60 1HE LYS 60 2.870 5.965 11.594 436 HE3 LYS 60 2HE LYS 60 1.504 5.179 10.805 437 HZ1 LYS 60 1HZ LYS 60 3.715 3.944 11.840 438 HZ2 LYS 60 2HZ LYS 60 3.975 3.904 10.169 439 HZ3 LYS 60 3HZ LYS 60 2.561 3.241 10.821 440 H ALA 61 H ALA 61 4.840 4.194 7.617 441 HA ALA 61 HA ALA 61 2.319 3.989 6.131 442 HB1 ALA 61 1HB ALA 61 4.459 1.889 5.894 443 HB2 ALA 61 2HB ALA 61 2.967 2.039 4.964 444 HB3 ALA 61 3HB ALA 61 4.271 3.204 4.733 445 H HIS 62 H HIS 62 1.012 2.146 6.740 446 HA HIS 62 HA HIS 62 1.767 0.709 9.150 447 HB2 HIS 62 1HB HIS 62 0.793 2.692 10.116 448 HB3 HIS 62 2HB HIS 62 -0.602 2.585 9.046 449 HD1 HIS 62 1HD HIS 62 0.706 1.392 12.273 450 HD2 HIS 62 2HD HIS 62 -2.408 0.445 9.691 451 HE1 HIS 62 1HE HIS 62 -0.866 -0.043 13.613 452 H ILE 63 H ILE 63 1.395 -1.323 8.561 453 HA ILE 63 HA ILE 63 -0.730 -1.973 6.699 454 HB ILE 63 HB ILE 63 1.271 -3.771 8.072 455 HG12 ILE 63 1HG1 ILE 63 1.313 -3.121 5.155 456 HG13 ILE 63 2HG1 ILE 63 1.946 -1.935 6.291 457 HG21 ILE 63 1HG2 ILE 63 -1.056 -4.313 6.396 458 HG22 ILE 63 2HG2 ILE 63 0.429 -5.061 5.811 459 HG23 ILE 63 3HG2 ILE 63 -0.139 -5.391 7.447 460 HD11 ILE 63 1HD1 ILE 63 2.877 -4.760 6.450 461 HD12 ILE 63 2HD1 ILE 63 3.524 -3.688 5.208 462 HD13 ILE 63 3HD1 ILE 63 3.704 -3.273 6.912 463 H ALA 64 H ALA 64 -2.490 -3.297 7.125 464 HA ALA 64 HA ALA 64 -2.994 -3.976 9.940 465 HB1 ALA 64 1HB ALA 64 -5.271 -2.994 8.296 466 HB2 ALA 64 2HB ALA 64 -5.022 -2.922 10.040 467 HB3 ALA 64 3HB ALA 64 -4.151 -1.815 8.979 468 H ASN 65 H ASN 65 -3.041 -6.135 9.921 469 HA ASN 65 HA ASN 65 -3.771 -7.705 7.685 470 HB2 ASN 65 1HB ASN 65 -3.360 -8.340 10.602 471 HB3 ASN 65 2HB ASN 65 -3.842 -9.575 9.443 472 HD21 ASN 65 1HD2 ASN 65 -1.392 -9.270 11.035 473 HD22 ASN 65 2HD2 ASN 65 -0.093 -9.285 9.896 474 HA PRO 66 HA PRO 66 -8.145 -7.964 7.959 475 HB2 PRO 66 1HB PRO 66 -8.576 -10.509 7.120 476 HB3 PRO 66 2HB PRO 66 -8.072 -9.211 6.031 477 HG2 PRO 66 1HG PRO 66 -6.420 -11.349 7.321 478 HG3 PRO 66 2HG PRO 66 -6.362 -10.741 5.656 479 HD2 PRO 66 1HD PRO 66 -4.592 -9.966 7.553 480 HD3 PRO 66 2HD PRO 66 -5.118 -8.891 6.242 481 H SER 67 H SER 67 -6.133 -9.685 10.011 482 HA SER 67 HA SER 67 -8.352 -10.977 11.430 483 HB2 SER 67 1HB SER 67 -5.358 -11.320 11.562 484 HB3 SER 67 2HB SER 67 -6.429 -11.995 12.789 485 HG SER 67 HG SER 67 -7.009 -12.492 10.099 486 H GLY 68 H GLY 68 -6.301 -8.251 11.547 487 HA2 GLY 68 1HA GLY 68 -7.093 -6.489 13.095 488 HA3 GLY 68 2HA GLY 68 -7.148 -7.736 14.332 489 H ALA 69 H ALA 69 -4.526 -8.654 12.808 490 HA ALA 69 HA ALA 69 -2.760 -7.390 14.699 491 HB1 ALA 69 1HB ALA 69 -2.596 -9.636 12.790 492 HB2 ALA 69 2HB ALA 69 -1.084 -8.801 13.149 493 HB3 ALA 69 3HB ALA 69 -2.028 -9.514 14.456 494 H SER 70 H SER 70 -0.604 -6.545 13.924 495 HA SER 70 HA SER 70 -0.872 -5.024 11.421 496 HB2 SER 70 1HB SER 70 0.179 -3.070 12.573 497 HB3 SER 70 2HB SER 70 -1.421 -3.472 13.196 498 HG SER 70 HG SER 70 0.805 -4.635 14.421 499 H THR 71 H THR 71 0.849 -5.163 10.136 500 HA THR 71 HA THR 71 3.223 -6.535 11.126 501 HB THR 71 HB THR 71 2.549 -5.705 8.296 502 HG1 THR 71 1HG THR 71 2.247 -8.218 9.614 503 HG21 THR 71 1HG2 THR 71 4.733 -6.167 8.002 504 HG22 THR 71 2HG2 THR 71 4.228 -7.850 8.146 505 HG23 THR 71 3HG2 THR 71 4.865 -6.998 9.552 506 H GLU 72 H GLU 72 5.291 -5.696 11.067 507 HA GLU 72 HA GLU 72 5.474 -2.827 11.238 508 HB2 GLU 72 1HB GLU 72 6.742 -4.688 12.604 509 HB3 GLU 72 2HB GLU 72 7.877 -4.606 11.264 510 HG2 GLU 72 1HG GLU 72 8.332 -2.310 11.686 511 HG3 GLU 72 2HG GLU 72 7.020 -2.207 12.859 512 H CYS 73 H CYS 73 6.249 -1.443 9.760 513 HA CYS 73 HA CYS 73 7.135 -2.568 7.195 514 HB2 CYS 73 1HB CYS 73 6.479 -0.426 6.207 515 HB3 CYS 73 2HB CYS 73 5.139 -1.142 7.093 516 HG CYS 73 HG CYS 73 5.821 0.527 9.411 517 H PHE 74 H PHE 74 8.929 -1.675 6.104 518 HA PHE 74 HA PHE 74 10.750 -0.108 7.809 519 HB2 PHE 74 1HB PHE 74 11.728 -2.154 5.831 520 HB3 PHE 74 2HB PHE 74 12.595 -1.428 7.180 521 HD1 PHE 74 2HD PHE 74 10.579 -1.777 9.335 522 HD2 PHE 74 1HD PHE 74 11.888 -4.433 6.277 523 HE1 PHE 74 2HE PHE 74 9.982 -3.697 10.752 524 HE2 PHE 74 1HE PHE 74 11.291 -6.358 7.689 525 HZ PHE 74 HZ PHE 74 10.338 -5.991 9.931 526 H VAL 75 H VAL 75 10.541 1.865 6.885 527 HA VAL 75 HA VAL 75 10.458 2.197 4.019 528 HB VAL 75 HB VAL 75 10.315 4.578 4.460 529 HG11 VAL 75 1HG1 VAL 75 8.175 4.528 5.203 530 HG12 VAL 75 2HG1 VAL 75 8.409 2.788 5.030 531 HG13 VAL 75 3HG1 VAL 75 8.571 3.547 6.614 532 HG21 VAL 75 1HG2 VAL 75 10.278 5.343 6.871 533 HG22 VAL 75 2HG2 VAL 75 11.004 3.789 7.281 534 HG23 VAL 75 3HG2 VAL 75 11.860 4.909 6.222 535 H THR 76 H THR 76 12.097 2.701 2.693 536 HA THR 76 HA THR 76 14.667 3.509 3.865 537 HB THR 76 HB THR 76 14.342 1.377 1.744 538 HG1 THR 76 1HG THR 76 15.241 0.036 3.405 539 HG21 THR 76 1HG2 THR 76 16.777 1.133 1.921 540 HG22 THR 76 2HG2 THR 76 16.830 2.489 3.048 541 HG23 THR 76 3HG2 THR 76 16.331 2.750 1.377 542 H ASP 77 H ASP 77 15.181 5.413 3.026 543 HA ASP 77 HA ASP 77 14.129 6.229 0.447 544 HB2 ASP 77 1HB ASP 77 15.098 8.424 0.992 545 HB3 ASP 77 2HB ASP 77 14.082 7.826 2.300 546 H ASN 78 H ASN 78 15.215 6.196 -1.412 547 HA ASN 78 HA ASN 78 17.907 5.152 -1.457 548 HB2 ASN 78 1HB ASN 78 15.972 5.933 -3.642 549 HB3 ASN 78 2HB ASN 78 17.596 5.331 -3.963 550 HD21 ASN 78 1HD2 ASN 78 14.393 4.542 -3.005 551 HD22 ASN 78 2HD2 ASN 78 14.597 2.827 -2.952 552 H ALA 79 H ALA 79 16.912 8.072 -0.716 553 HA ALA 79 HA ALA 79 17.719 10.200 -0.868 554 HB1 ALA 79 1HB ALA 79 20.401 9.664 -1.702 555 HB2 ALA 79 2HB ALA 79 19.803 10.146 -0.113 556 HB3 ALA 79 3HB ALA 79 19.889 8.438 -0.542 557 H ASP 80 H ASP 80 16.508 9.169 -3.247 558 HA ASP 80 HA ASP 80 17.962 10.749 -5.263 559 HB2 ASP 80 1HB ASP 80 18.145 8.369 -5.808 560 HB3 ASP 80 2HB ASP 80 16.393 8.203 -5.727 561 H GLY 81 H GLY 81 14.894 9.770 -3.893 562 HA2 GLY 81 1HA GLY 81 13.458 11.986 -4.023 563 HA3 GLY 81 2HA GLY 81 13.417 11.512 -5.715 564 H THR 82 H THR 82 13.555 8.632 -4.445 565 HA THR 82 HA THR 82 10.651 8.446 -3.965 566 HB THR 82 HB THR 82 10.778 6.145 -4.920 567 HG1 THR 82 1HG THR 82 12.721 5.808 -6.272 568 HG21 THR 82 1HG2 THR 82 10.157 7.016 -6.883 569 HG22 THR 82 2HG2 THR 82 11.781 7.628 -7.200 570 HG23 THR 82 3HG2 THR 82 10.648 8.585 -6.246 571 H TYR 83 H TYR 83 10.026 6.432 -2.751 572 HA TYR 83 HA TYR 83 12.041 5.796 -0.697 573 HB2 TYR 83 1HB TYR 83 9.063 6.083 -0.255 574 HB3 TYR 83 2HB TYR 83 10.276 5.742 0.974 575 HD1 TYR 83 1HD TYR 83 8.926 8.321 -1.280 576 HD2 TYR 83 2HD TYR 83 11.630 7.493 1.899 577 HE1 TYR 83 1HE TYR 83 9.201 10.735 -0.894 578 HE2 TYR 83 2HE TYR 83 11.912 9.904 2.295 579 HH TYR 83 HH TYR 83 9.980 12.147 1.441 580 H GLN 84 H GLN 84 11.929 3.707 0.241 581 HA GLN 84 HA GLN 84 10.310 1.757 -1.253 582 HB2 GLN 84 1HB GLN 84 12.766 1.853 -1.944 583 HB3 GLN 84 2HB GLN 84 13.132 1.209 -0.349 584 HG2 GLN 84 1HG GLN 84 13.058 -0.726 -1.527 585 HG3 GLN 84 2HG GLN 84 11.363 -0.611 -1.057 586 HE21 GLN 84 1HE2 GLN 84 10.295 -1.487 -2.701 587 HE22 GLN 84 2HE2 GLN 84 10.439 -1.011 -4.356 588 H VAL 85 H VAL 85 8.894 0.992 0.174 589 HA VAL 85 HA VAL 85 9.760 0.531 2.942 590 HB VAL 85 HB VAL 85 6.964 0.609 1.800 591 HG11 VAL 85 1HG1 VAL 85 6.426 0.813 4.313 592 HG12 VAL 85 2HG1 VAL 85 6.811 -0.781 3.660 593 HG13 VAL 85 3HG1 VAL 85 8.031 0.125 4.557 594 HG21 VAL 85 1HG2 VAL 85 7.502 2.821 1.767 595 HG22 VAL 85 2HG2 VAL 85 7.018 2.685 3.458 596 HG23 VAL 85 3HG2 VAL 85 8.727 2.657 3.025 597 H GLU 86 H GLU 86 10.305 -1.466 3.490 598 HA GLU 86 HA GLU 86 9.131 -3.711 1.989 599 HB2 GLU 86 1HB GLU 86 11.545 -3.571 1.729 600 HB3 GLU 86 2HB GLU 86 11.758 -3.534 3.474 601 HG2 GLU 86 1HG GLU 86 10.526 -5.820 3.407 602 HG3 GLU 86 2HG GLU 86 11.002 -5.815 1.709 603 H TYR 87 H TYR 87 8.083 -5.310 3.048 604 HA TYR 87 HA TYR 87 8.245 -5.497 5.948 605 HB2 TYR 87 1HB TYR 87 5.888 -5.251 6.326 606 HB3 TYR 87 2HB TYR 87 6.435 -3.837 5.432 607 HD1 TYR 87 1HD TYR 87 5.762 -3.489 3.118 608 HD2 TYR 87 2HD TYR 87 4.415 -6.883 5.303 609 HE1 TYR 87 1HE TYR 87 4.040 -3.898 1.410 610 HE2 TYR 87 2HE TYR 87 2.690 -7.302 3.600 611 HH TYR 87 HH TYR 87 2.210 -5.082 0.886 612 H THR 88 H THR 88 7.278 -7.443 6.794 613 HA THR 88 HA THR 88 6.890 -9.531 4.749 614 HB THR 88 HB THR 88 8.066 -10.151 7.441 615 HG1 THR 88 1HG THR 88 9.767 -9.036 6.852 616 HG21 THR 88 1HG2 THR 88 7.178 -11.823 5.599 617 HG22 THR 88 2HG2 THR 88 8.640 -12.175 6.521 618 HG23 THR 88 3HG2 THR 88 8.762 -11.521 4.888 619 HA PRO 89 HA PRO 89 3.022 -9.590 7.122 620 HB2 PRO 89 1HB PRO 89 1.601 -10.829 5.169 621 HB3 PRO 89 2HB PRO 89 1.912 -9.089 5.174 622 HG2 PRO 89 1HG PRO 89 3.315 -11.259 3.663 623 HG3 PRO 89 2HG PRO 89 2.808 -9.655 3.104 624 HD2 PRO 89 1HD PRO 89 5.361 -10.210 3.815 625 HD3 PRO 89 2HD PRO 89 4.630 -8.610 4.053 626 H PHE 90 H PHE 90 2.448 -11.134 8.519 627 HA PHE 90 HA PHE 90 3.398 -13.868 8.038 628 HB2 PHE 90 1HB PHE 90 2.703 -14.036 10.572 629 HB3 PHE 90 2HB PHE 90 4.222 -13.274 10.112 630 HD1 PHE 90 1HD PHE 90 0.731 -12.604 11.115 631 HD2 PHE 90 2HD PHE 90 4.641 -11.007 10.583 632 HE1 PHE 90 1HE PHE 90 0.049 -10.550 12.287 633 HE2 PHE 90 2HE PHE 90 3.965 -8.952 11.755 634 HZ PHE 90 HZ PHE 90 1.666 -8.722 12.609 635 H GLU 91 H GLU 91 0.785 -12.327 7.226 636 HA GLU 91 HA GLU 91 -0.977 -14.599 7.814 637 HB2 GLU 91 1HB GLU 91 -1.475 -11.711 8.374 638 HB3 GLU 91 2HB GLU 91 -2.827 -12.701 7.842 639 HG2 GLU 91 1HG GLU 91 -1.123 -13.675 10.078 640 HG3 GLU 91 2HG GLU 91 -2.295 -12.394 10.384 641 H LYS 92 H LYS 92 -2.009 -15.363 6.079 642 HA LYS 92 HA LYS 92 -1.593 -14.056 3.527 643 HB2 LYS 92 1HB LYS 92 -2.970 -16.182 2.793 644 HB3 LYS 92 2HB LYS 92 -1.276 -16.314 3.246 645 HG2 LYS 92 1HG LYS 92 -1.804 -17.209 5.358 646 HG3 LYS 92 2HG LYS 92 -3.503 -16.753 5.212 647 HD2 LYS 92 1HD LYS 92 -2.221 -18.673 3.291 648 HD3 LYS 92 2HD LYS 92 -2.878 -19.216 4.838 649 HE2 LYS 92 1HE LYS 92 -4.972 -17.819 4.011 650 HE3 LYS 92 2HE LYS 92 -4.276 -18.172 2.430 651 HZ1 LYS 92 1HZ LYS 92 -5.720 -19.885 4.179 652 HZ2 LYS 92 2HZ LYS 92 -4.212 -20.551 3.803 653 HZ3 LYS 92 3HZ LYS 92 -5.282 -20.129 2.563 654 H GLY 93 H GLY 93 -2.916 -12.264 3.474 655 HA2 GLY 93 1HA GLY 93 -5.614 -12.684 2.708 656 HA3 GLY 93 2HA GLY 93 -5.545 -12.077 4.355 657 H LEU 94 H LEU 94 -6.807 -10.318 3.251 658 HA LEU 94 HA LEU 94 -5.132 -8.459 1.739 659 HB2 LEU 94 1HB LEU 94 -7.244 -8.780 0.744 660 HB3 LEU 94 2HB LEU 94 -8.080 -8.616 2.287 661 HG LEU 94 HG LEU 94 -7.740 -6.257 2.308 662 HD11 LEU 94 1HD1 LEU 94 -5.404 -6.554 1.203 663 HD12 LEU 94 2HD1 LEU 94 -6.313 -5.065 0.948 664 HD13 LEU 94 3HD1 LEU 94 -6.290 -6.309 -0.301 665 HD21 LEU 94 1HD2 LEU 94 -8.665 -7.348 -0.332 666 HD22 LEU 94 2HD2 LEU 94 -8.736 -5.627 0.044 667 HD23 LEU 94 3HD2 LEU 94 -9.633 -6.782 1.030 668 H HIS 95 H HIS 95 -4.016 -6.991 2.826 669 HA HIS 95 HA HIS 95 -5.001 -6.096 5.443 670 HB2 HIS 95 1HB HIS 95 -2.280 -5.371 4.464 671 HB3 HIS 95 2HB HIS 95 -2.823 -5.749 6.097 672 HD2 HIS 95 2HD HIS 95 -0.438 -7.264 3.897 673 HE1 HIS 95 1HE HIS 95 -2.571 -10.630 5.350 674 HE2 HIS 95 2HE HIS 95 -0.449 -9.825 4.259 675 H VAL 96 H VAL 96 -4.794 -3.823 5.997 676 HA VAL 96 HA VAL 96 -5.274 -2.103 3.658 677 HB VAL 96 HB VAL 96 -6.141 -1.734 6.529 678 HG11 VAL 96 1HG1 VAL 96 -7.144 0.292 5.934 679 HG12 VAL 96 2HG1 VAL 96 -5.558 0.356 5.164 680 HG13 VAL 96 3HG1 VAL 96 -6.988 -0.033 4.207 681 HG21 VAL 96 1HG2 VAL 96 -8.426 -1.941 5.505 682 HG22 VAL 96 2HG2 VAL 96 -7.637 -2.477 4.021 683 HG23 VAL 96 3HG2 VAL 96 -7.468 -3.422 5.500 684 H VAL 97 H VAL 97 -3.422 -1.125 3.107 685 HA VAL 97 HA VAL 97 -1.577 -0.209 5.173 686 HB VAL 97 HB VAL 97 -1.340 -0.268 2.163 687 HG11 VAL 97 1HG1 VAL 97 0.008 1.413 3.985 688 HG12 VAL 97 2HG1 VAL 97 1.155 0.171 3.479 689 HG13 VAL 97 3HG1 VAL 97 0.346 1.171 2.271 690 HG21 VAL 97 1HG2 VAL 97 0.441 -1.927 2.652 691 HG22 VAL 97 2HG2 VAL 97 -0.020 -1.868 4.353 692 HG23 VAL 97 3HG2 VAL 97 -1.166 -2.456 3.149 693 H GLU 98 H GLU 98 -1.682 1.784 5.948 694 HA GLU 98 HA GLU 98 -3.059 3.846 4.373 695 HB2 GLU 98 1HB GLU 98 -2.580 3.493 7.319 696 HB3 GLU 98 2HB GLU 98 -3.005 5.065 6.656 697 HG2 GLU 98 1HG GLU 98 -5.126 4.395 6.062 698 HG3 GLU 98 2HG GLU 98 -4.688 2.688 6.016 699 H VAL 99 H VAL 99 -1.762 5.132 3.253 700 HA VAL 99 HA VAL 99 0.920 5.723 4.303 701 HB VAL 99 HB VAL 99 -0.086 6.226 1.503 702 HG11 VAL 99 1HG1 VAL 99 1.814 7.380 1.359 703 HG12 VAL 99 2HG1 VAL 99 2.369 6.802 2.931 704 HG13 VAL 99 3HG1 VAL 99 2.656 5.836 1.483 705 HG21 VAL 99 1HG2 VAL 99 0.268 3.742 2.647 706 HG22 VAL 99 2HG2 VAL 99 0.293 4.102 0.921 707 HG23 VAL 99 3HG2 VAL 99 1.803 4.039 1.830 708 H THR 100 H THR 100 1.548 7.763 4.767 709 HA THR 100 HA THR 100 -0.180 10.000 4.011 710 HB THR 100 HB THR 100 -0.019 10.933 6.327 711 HG1 THR 100 1HG THR 100 1.216 8.439 6.728 712 HG21 THR 100 1HG2 THR 100 -1.634 9.110 7.306 713 HG22 THR 100 2HG2 THR 100 -1.535 8.444 5.676 714 HG23 THR 100 3HG2 THR 100 -2.125 10.087 5.923 715 H TYR 101 H TYR 101 0.978 11.660 3.283 716 HA TYR 101 HA TYR 101 3.851 11.733 3.915 717 HB2 TYR 101 1HB TYR 101 3.069 11.465 1.497 718 HB3 TYR 101 2HB TYR 101 2.519 13.133 1.601 719 HD1 TYR 101 1HD TYR 101 4.469 14.700 2.757 720 HD2 TYR 101 2HD TYR 101 5.082 11.195 0.424 721 HE1 TYR 101 1HE TYR 101 6.729 15.484 2.183 722 HE2 TYR 101 2HE TYR 101 7.344 11.969 -0.155 723 HH TYR 101 HH TYR 101 8.466 15.168 0.699 724 H ASP 102 H ASP 102 4.264 13.127 5.498 725 HA ASP 102 HA ASP 102 4.409 15.076 6.665 726 HB2 ASP 102 1HB ASP 102 4.671 15.985 4.276 727 HB3 ASP 102 2HB ASP 102 2.985 16.474 4.410 728 H ASP 103 H ASP 103 2.284 13.386 7.216 729 HA ASP 103 HA ASP 103 0.377 13.343 8.460 730 HB2 ASP 103 1HB ASP 103 1.487 15.415 9.488 731 HB3 ASP 103 2HB ASP 103 0.388 16.356 8.483 732 H VAL 104 H VAL 104 0.390 13.600 5.516 733 HA VAL 104 HA VAL 104 -2.430 14.346 5.212 734 HB VAL 104 HB VAL 104 -0.256 15.178 3.285 735 HG11 VAL 104 1HG1 VAL 104 -2.915 16.325 2.953 736 HG12 VAL 104 2HG1 VAL 104 -1.824 15.624 1.756 737 HG13 VAL 104 3HG1 VAL 104 -2.876 14.579 2.711 738 HG21 VAL 104 1HG2 VAL 104 -1.931 16.746 5.236 739 HG22 VAL 104 2HG2 VAL 104 -0.173 16.617 5.178 740 HG23 VAL 104 3HG2 VAL 104 -1.035 17.487 3.910 741 HA PRO 105 HA PRO 105 -2.304 10.274 3.386 742 HB2 PRO 105 1HB PRO 105 -4.972 10.119 2.909 743 HB3 PRO 105 2HB PRO 105 -4.267 9.873 4.511 744 HG2 PRO 105 1HG PRO 105 -5.572 12.314 3.370 745 HG3 PRO 105 2HG PRO 105 -5.753 11.598 4.982 746 HD2 PRO 105 1HD PRO 105 -4.171 13.745 4.510 747 HD3 PRO 105 2HD PRO 105 -3.796 12.538 5.757 748 H ILE 106 H ILE 106 -2.493 9.402 1.316 749 HA ILE 106 HA ILE 106 -2.697 11.386 -0.821 750 HB ILE 106 HB ILE 106 -1.862 9.374 -2.223 751 HG12 ILE 106 1HG1 ILE 106 -1.011 8.441 0.524 752 HG13 ILE 106 2HG1 ILE 106 -2.342 7.728 -0.380 753 HG21 ILE 106 1HG2 ILE 106 0.508 9.772 -1.043 754 HG22 ILE 106 2HG2 ILE 106 -0.265 10.970 -2.081 755 HG23 ILE 106 3HG2 ILE 106 -0.399 11.105 -0.328 756 HD11 ILE 106 1HD1 ILE 106 -0.103 7.780 -2.093 757 HD12 ILE 106 2HD1 ILE 106 0.432 7.151 -0.534 758 HD13 ILE 106 3HD1 ILE 106 -0.910 6.383 -1.382 759 HA PRO 107 HA PRO 107 -6.551 9.983 -2.385 760 HB2 PRO 107 1HB PRO 107 -6.183 10.250 -5.062 761 HB3 PRO 107 2HB PRO 107 -6.377 11.632 -3.976 762 HG2 PRO 107 1HG PRO 107 -3.871 10.454 -5.113 763 HG3 PRO 107 2HG PRO 107 -4.328 12.158 -4.940 764 HD2 PRO 107 1HD PRO 107 -2.647 10.918 -3.216 765 HD3 PRO 107 2HD PRO 107 -3.745 12.219 -2.710 766 H ASN 108 H ASN 108 -3.817 8.168 -2.637 767 HA ASN 108 HA ASN 108 -5.080 6.080 -4.273 768 HB2 ASN 108 1HB ASN 108 -2.209 6.223 -3.331 769 HB3 ASN 108 2HB ASN 108 -2.880 5.106 -4.515 770 HD21 ASN 108 1HD2 ASN 108 -2.498 8.571 -3.899 771 HD22 ASN 108 2HD2 ASN 108 -2.226 9.010 -5.547 772 H SER 109 H SER 109 -4.418 6.954 -1.072 773 HA SER 109 HA SER 109 -4.589 4.172 -0.140 774 HB2 SER 109 1HB SER 109 -3.405 6.659 0.979 775 HB3 SER 109 2HB SER 109 -4.106 5.521 2.129 776 HG SER 109 HG SER 109 -1.978 5.126 0.319 777 HA PRO 110 HA PRO 110 -4.763 3.653 2.291 778 HB2 PRO 110 1HB PRO 110 -6.415 1.637 3.049 779 HB3 PRO 110 2HB PRO 110 -6.170 3.094 4.019 780 HG2 PRO 110 1HG PRO 110 -8.408 2.416 2.150 781 HG3 PRO 110 2HG PRO 110 -8.479 3.165 3.756 782 HD2 PRO 110 1HD PRO 110 -8.664 4.603 1.468 783 HD3 PRO 110 2HD PRO 110 -7.923 5.251 2.946 784 H PHE 111 H PHE 111 -4.015 1.484 1.759 785 HA PHE 111 HA PHE 111 -4.826 0.707 -0.958 786 HB2 PHE 111 1HB PHE 111 -2.230 0.497 0.540 787 HB3 PHE 111 2HB PHE 111 -2.548 -0.536 -0.850 788 HD1 PHE 111 1HD PHE 111 -3.274 0.670 -3.026 789 HD2 PHE 111 2HD PHE 111 -1.314 2.591 0.228 790 HE1 PHE 111 1HE PHE 111 -2.547 2.474 -4.533 791 HE2 PHE 111 2HE PHE 111 -0.585 4.398 -1.274 792 HZ PHE 111 HZ PHE 111 -1.202 4.342 -3.657 793 H LYS 112 H LYS 112 -4.686 -1.622 -1.475 794 HA LYS 112 HA LYS 112 -5.342 -3.320 0.840 795 HB2 LYS 112 1HB LYS 112 -6.859 -2.868 -1.680 796 HB3 LYS 112 2HB LYS 112 -6.826 -4.505 -1.039 797 HG2 LYS 112 1HG LYS 112 -8.010 -3.938 0.847 798 HG3 LYS 112 2HG LYS 112 -7.525 -2.243 0.772 799 HD2 LYS 112 1HD LYS 112 -9.168 -3.318 -1.458 800 HD3 LYS 112 2HD LYS 112 -9.964 -3.043 0.094 801 HE2 LYS 112 1HE LYS 112 -9.054 -0.720 0.062 802 HE3 LYS 112 2HE LYS 112 -8.458 -1.027 -1.568 803 HZ1 LYS 112 1HZ LYS 112 -10.627 -1.227 -2.390 804 HZ2 LYS 112 2HZ LYS 112 -10.682 0.121 -1.370 805 HZ3 LYS 112 3HZ LYS 112 -11.309 -1.361 -0.847 806 H VAL 113 H VAL 113 -3.688 -4.690 1.022 807 HA VAL 113 HA VAL 113 -2.437 -5.760 -1.406 808 HB VAL 113 HB VAL 113 -1.498 -5.892 1.463 809 HG11 VAL 113 1HG1 VAL 113 0.390 -6.412 -0.727 810 HG12 VAL 113 2HG1 VAL 113 0.210 -7.215 0.835 811 HG13 VAL 113 3HG1 VAL 113 -0.855 -7.642 -0.506 812 HG21 VAL 113 1HG2 VAL 113 -0.016 -4.156 0.996 813 HG22 VAL 113 2HG2 VAL 113 -0.201 -4.337 -0.748 814 HG23 VAL 113 3HG2 VAL 113 -1.509 -3.641 0.210 815 H ALA 114 H ALA 114 -3.674 -7.443 -2.071 816 HA ALA 114 HA ALA 114 -4.711 -9.376 -0.180 817 HB1 ALA 114 1HB ALA 114 -5.043 -8.842 -3.077 818 HB2 ALA 114 2HB ALA 114 -5.313 -10.493 -2.517 819 HB3 ALA 114 3HB ALA 114 -6.253 -9.166 -1.835 820 H VAL 115 H VAL 115 -3.142 -10.616 0.700 821 HA VAL 115 HA VAL 115 -0.942 -11.627 -0.870 822 HB VAL 115 HB VAL 115 -1.754 -12.267 1.970 823 HG11 VAL 115 1HG1 VAL 115 -0.396 -14.038 1.015 824 HG12 VAL 115 2HG1 VAL 115 0.800 -12.858 0.476 825 HG13 VAL 115 3HG1 VAL 115 0.538 -13.125 2.200 826 HG21 VAL 115 1HG2 VAL 115 0.518 -10.815 2.158 827 HG22 VAL 115 2HG2 VAL 115 -0.224 -10.071 0.741 828 HG23 VAL 115 3HG2 VAL 115 -1.103 -10.128 2.269 829 H THR 116 H THR 116 -0.514 -13.802 -1.336 830 HA THR 116 HA THR 116 -2.789 -15.649 -1.071 831 HB THR 116 HB THR 116 -2.817 -14.817 -3.359 832 HG1 THR 116 1HG THR 116 -1.680 -17.372 -3.639 833 HG21 THR 116 1HG2 THR 116 0.065 -15.694 -3.375 834 HG22 THR 116 2HG2 THR 116 -0.588 -14.093 -3.724 835 HG23 THR 116 3HG2 THR 116 -0.859 -15.422 -4.851 836 H GLU 117 H GLU 117 -2.243 -17.893 -1.087 837 HA GLU 117 HA GLU 117 0.150 -18.481 0.322 838 HB2 GLU 117 1HB GLU 117 -2.029 -20.172 -0.875 839 HB3 GLU 117 2HB GLU 117 -0.603 -20.905 -0.153 840 HG2 GLU 117 1HG GLU 117 -1.108 -19.995 1.978 841 HG3 GLU 117 2HG GLU 117 -2.374 -18.968 1.307 842 H GLY 118 H GLY 118 2.081 -18.372 -0.634 843 HA2 GLY 118 1HA GLY 118 2.354 -19.234 -3.423 844 HA3 GLY 118 2HA GLY 118 3.534 -18.307 -2.508 845 H CYS 119 H CYS 119 5.232 -19.352 -1.681 846 HA CYS 119 HA CYS 119 5.049 -22.219 -1.156 847 HB2 CYS 119 1HB CYS 119 6.986 -22.772 -2.458 848 HB3 CYS 119 2HB CYS 119 5.870 -21.907 -3.508 849 HG CYS 119 HG CYS 119 8.786 -20.746 -2.166 850 H GLN 120 H GLN 120 7.009 -23.031 -0.006 851 HA GLN 120 HA GLN 120 7.563 -21.435 2.236 852 HB2 GLN 120 1HB GLN 120 9.227 -23.178 2.812 853 HB3 GLN 120 2HB GLN 120 7.660 -23.847 2.375 854 HG2 GLN 120 1HG GLN 120 8.636 -24.147 0.038 855 HG3 GLN 120 2HG GLN 120 10.202 -23.849 0.789 856 HE21 GLN 120 1HE2 GLN 120 9.152 -26.248 -0.516 857 HE22 GLN 120 2HE2 GLN 120 9.270 -27.514 0.654 858 HA PRO 121 HA PRO 121 10.728 -18.835 0.511 859 HB2 PRO 121 1HB PRO 121 11.362 -17.570 2.827 860 HB3 PRO 121 2HB PRO 121 9.909 -17.193 1.894 861 HG2 PRO 121 1HG PRO 121 10.204 -18.912 4.326 862 HG3 PRO 121 2HG PRO 121 8.948 -17.721 3.944 863 HD2 PRO 121 1HD PRO 121 8.573 -20.385 3.634 864 HD3 PRO 121 2HD PRO 121 7.801 -19.183 2.580 865 H SER 122 H SER 122 11.309 -20.384 3.673 866 HA SER 122 HA SER 122 13.843 -21.421 2.693 867 HB2 SER 122 1HB SER 122 13.633 -19.532 5.044 868 HB3 SER 122 2HB SER 122 15.030 -20.569 4.757 869 HG SER 122 HG SER 122 15.246 -18.430 3.881 870 H SER 123 H SER 123 14.839 -22.941 4.266 871 HA SER 123 HA SER 123 12.857 -24.123 6.091 872 HB2 SER 123 1HB SER 123 13.730 -26.385 5.359 873 HB3 SER 123 2HB SER 123 12.775 -25.523 4.153 874 HG SER 123 HG SER 123 15.442 -26.214 4.135 875 H GLY 124 H GLY 124 13.620 -24.714 8.042 876 HA2 GLY 124 1HA GLY 124 16.386 -25.353 8.486 877 HA3 GLY 124 2HA GLY 124 15.948 -23.769 9.109 878 HA PRO 125 HA PRO 125 13.757 -27.364 11.583 879 HB2 PRO 125 1HB PRO 125 15.457 -29.445 11.978 880 HB3 PRO 125 2HB PRO 125 14.312 -29.382 10.633 881 HG2 PRO 125 1HG PRO 125 17.236 -28.741 10.664 882 HG3 PRO 125 2HG PRO 125 16.302 -29.648 9.460 883 HD2 PRO 125 1HD PRO 125 17.008 -27.058 9.106 884 HD3 PRO 125 2HD PRO 125 15.502 -27.735 8.454 885 H SER 126 H SER 126 17.192 -26.597 11.706 886 HA SER 126 HA SER 126 17.934 -27.095 14.251 887 HB2 SER 126 1HB SER 126 19.204 -25.821 12.401 888 HB3 SER 126 2HB SER 126 18.467 -24.370 13.081 889 HG SER 126 HG SER 126 20.554 -25.839 14.002 890 H SER 127 H SER 127 17.965 -25.865 16.229 891 HA SER 127 HA SER 127 15.375 -24.744 16.824 892 HB2 SER 127 1HB SER 127 16.107 -24.750 19.135 893 HB3 SER 127 2HB SER 127 16.565 -26.281 18.390 894 HG SER 127 HG SER 127 18.325 -24.070 18.569 895 H GLY 128 H GLY 128 15.042 -22.720 16.111 896 HA2 GLY 128 1HA GLY 128 17.187 -20.740 16.357 897 HA3 GLY 128 2HA GLY 128 15.700 -20.547 15.440 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -16.112 -3.656 12.497 2 HA2 GLY 1 1HA GLY 1 -14.712 -4.048 14.381 3 HA3 GLY 1 2HA GLY 1 -14.727 -2.300 14.207 4 H SER 2 H SER 2 -14.445 -4.102 16.583 5 HA SER 2 HA SER 2 -16.824 -3.433 18.133 6 HB2 SER 2 1HB SER 2 -15.637 -5.708 18.225 7 HB3 SER 2 2HB SER 2 -14.389 -4.886 19.161 8 HG SER 2 HG SER 2 -15.768 -5.595 20.675 9 H SER 3 H SER 3 -16.918 -1.522 19.091 10 HA SER 3 HA SER 3 -14.414 -0.290 20.035 11 HB2 SER 3 1HB SER 3 -17.019 1.031 19.236 12 HB3 SER 3 2HB SER 3 -15.602 1.878 19.856 13 HG SER 3 HG SER 3 -15.310 1.998 17.726 14 H GLY 4 H GLY 4 -14.182 0.175 22.143 15 HA2 GLY 4 1HA GLY 4 -16.568 0.145 23.863 16 HA3 GLY 4 2HA GLY 4 -15.218 -0.912 24.252 17 H SER 5 H SER 5 -15.527 2.498 23.251 18 HA SER 5 HA SER 5 -14.571 3.467 25.768 19 HB2 SER 5 1HB SER 5 -12.700 3.300 23.421 20 HB3 SER 5 2HB SER 5 -12.527 4.588 24.614 21 HG SER 5 HG SER 5 -12.185 1.820 24.911 22 H SER 6 H SER 6 -13.991 5.914 25.506 23 HA SER 6 HA SER 6 -16.156 7.082 23.923 24 HB2 SER 6 1HB SER 6 -14.537 8.095 26.259 25 HB3 SER 6 2HB SER 6 -15.599 9.148 25.326 26 HG SER 6 HG SER 6 -17.328 8.108 26.077 27 H GLY 7 H GLY 7 -12.748 7.809 24.701 28 HA2 GLY 7 1HA GLY 7 -11.060 8.560 23.310 29 HA3 GLY 7 2HA GLY 7 -12.167 8.418 21.953 30 H HIS 8 H HIS 8 -10.390 10.539 22.195 31 HA HIS 8 HA HIS 8 -11.790 12.818 23.285 32 HB2 HIS 8 1HB HIS 8 -9.218 12.535 21.731 33 HB3 HIS 8 2HB HIS 8 -9.866 14.094 22.232 34 HD1 HIS 8 1HD HIS 8 -10.475 13.972 25.033 35 HD2 HIS 8 2HD HIS 8 -7.364 11.692 23.488 36 HE1 HIS 8 1HE HIS 8 -8.995 13.437 26.995 37 H PHE 9 H PHE 9 -13.720 12.871 22.099 38 HA PHE 9 HA PHE 9 -14.125 12.687 19.408 39 HB2 PHE 9 1HB PHE 9 -15.442 14.378 21.509 40 HB3 PHE 9 2HB PHE 9 -15.948 14.505 19.827 41 HD1 PHE 9 1HD PHE 9 -16.797 12.451 18.659 42 HD2 PHE 9 2HD PHE 9 -16.165 12.610 22.865 43 HE1 PHE 9 1HE PHE 9 -18.255 10.491 18.948 44 HE2 PHE 9 2HE PHE 9 -17.622 10.649 23.161 45 HZ PHE 9 HZ PHE 9 -18.668 9.586 21.202 46 HA PRO 10 HA PRO 10 -11.649 15.978 17.743 47 HB2 PRO 10 1HB PRO 10 -12.438 15.667 15.164 48 HB3 PRO 10 2HB PRO 10 -11.287 14.583 15.953 49 HG2 PRO 10 1HG PRO 10 -14.219 14.212 15.481 50 HG3 PRO 10 2HG PRO 10 -12.898 13.045 15.286 51 HD2 PRO 10 1HD PRO 10 -14.516 13.064 17.457 52 HD3 PRO 10 2HD PRO 10 -12.812 12.575 17.540 53 H ALA 11 H ALA 11 -12.720 17.746 18.708 54 HA ALA 11 HA ALA 11 -15.031 18.815 17.238 55 HB1 ALA 11 1HB ALA 11 -14.838 18.432 19.882 56 HB2 ALA 11 2HB ALA 11 -14.203 20.075 19.778 57 HB3 ALA 11 3HB ALA 11 -15.814 19.712 19.161 58 H ARG 12 H ARG 12 -12.512 19.047 16.046 59 HA ARG 12 HA ARG 12 -12.151 21.961 16.144 60 HB2 ARG 12 1HB ARG 12 -9.739 21.708 15.893 61 HB3 ARG 12 2HB ARG 12 -10.291 20.916 17.363 62 HG2 ARG 12 1HG ARG 12 -10.089 18.760 16.369 63 HG3 ARG 12 2HG ARG 12 -9.791 19.463 14.778 64 HD2 ARG 12 1HD ARG 12 -7.720 18.670 15.804 65 HD3 ARG 12 2HD ARG 12 -7.698 20.419 15.580 66 HE ARG 12 HE ARG 12 -7.493 20.644 17.837 67 HH11 ARG 12 1HH1 ARG 12 -8.818 17.498 17.154 68 HH12 ARG 12 2HH1 ARG 12 -8.778 16.978 18.807 69 HH21 ARG 12 1HH2 ARG 12 -7.435 19.971 20.016 70 HH22 ARG 12 2HH2 ARG 12 -7.991 18.386 20.434 71 H VAL 13 H VAL 13 -10.970 22.767 14.166 72 HA VAL 13 HA VAL 13 -12.023 21.359 11.816 73 HB VAL 13 HB VAL 13 -11.779 23.478 10.620 74 HG11 VAL 13 1HG1 VAL 13 -13.236 23.706 13.250 75 HG12 VAL 13 2HG1 VAL 13 -13.471 24.782 11.870 76 HG13 VAL 13 3HG1 VAL 13 -13.878 23.070 11.736 77 HG21 VAL 13 1HG2 VAL 13 -10.394 24.269 13.127 78 HG22 VAL 13 2HG2 VAL 13 -10.015 24.667 11.451 79 HG23 VAL 13 3HG2 VAL 13 -11.336 25.495 12.276 80 H LYS 14 H LYS 14 -10.737 20.649 10.199 81 HA LYS 14 HA LYS 14 -8.035 20.121 10.664 82 HB2 LYS 14 1HB LYS 14 -7.941 19.333 8.388 83 HB3 LYS 14 2HB LYS 14 -9.490 18.871 9.080 84 HG2 LYS 14 1HG LYS 14 -9.322 21.417 7.553 85 HG3 LYS 14 2HG LYS 14 -9.315 19.890 6.666 86 HD2 LYS 14 1HD LYS 14 -11.362 19.371 8.260 87 HD3 LYS 14 2HD LYS 14 -11.465 21.133 8.306 88 HE2 LYS 14 1HE LYS 14 -11.247 19.652 5.707 89 HE3 LYS 14 2HE LYS 14 -12.803 19.867 6.506 90 HZ1 LYS 14 1HZ LYS 14 -12.637 22.193 6.320 91 HZ2 LYS 14 2HZ LYS 14 -12.189 21.590 4.805 92 HZ3 LYS 14 3HZ LYS 14 -11.004 22.136 5.882 93 H VAL 15 H VAL 15 -6.132 21.016 9.885 94 HA VAL 15 HA VAL 15 -6.332 23.842 9.143 95 HB VAL 15 HB VAL 15 -3.955 22.239 10.098 96 HG11 VAL 15 1HG1 VAL 15 -3.217 24.795 10.439 97 HG12 VAL 15 2HG1 VAL 15 -2.846 23.867 8.984 98 HG13 VAL 15 3HG1 VAL 15 -4.223 24.969 9.001 99 HG21 VAL 15 1HG2 VAL 15 -4.555 22.744 12.181 100 HG22 VAL 15 2HG2 VAL 15 -4.786 24.443 11.768 101 HG23 VAL 15 3HG2 VAL 15 -6.101 23.291 11.533 102 H GLU 16 H GLU 16 -6.023 24.462 7.115 103 HA GLU 16 HA GLU 16 -5.756 23.011 4.897 104 HB2 GLU 16 1HB GLU 16 -4.316 25.622 5.395 105 HB3 GLU 16 2HB GLU 16 -4.617 24.925 3.809 106 HG2 GLU 16 1HG GLU 16 -6.978 25.177 4.071 107 HG3 GLU 16 2HG GLU 16 -6.787 25.670 5.752 108 HA PRO 17 HA PRO 17 -1.909 20.827 5.269 109 HB2 PRO 17 1HB PRO 17 -1.978 19.673 2.813 110 HB3 PRO 17 2HB PRO 17 -2.964 19.109 4.167 111 HG2 PRO 17 1HG PRO 17 -3.728 20.875 1.873 112 HG3 PRO 17 2HG PRO 17 -4.630 19.533 2.600 113 HD2 PRO 17 1HD PRO 17 -5.174 22.126 3.159 114 HD3 PRO 17 2HD PRO 17 -5.391 20.827 4.350 115 H ALA 18 H ALA 18 0.195 20.990 4.488 116 HA ALA 18 HA ALA 18 0.673 23.283 2.716 117 HB1 ALA 18 1HB ALA 18 1.647 23.333 5.005 118 HB2 ALA 18 2HB ALA 18 2.635 21.939 4.566 119 HB3 ALA 18 3HB ALA 18 2.843 23.470 3.715 120 H VAL 19 H VAL 19 0.089 20.356 2.030 121 HA VAL 19 HA VAL 19 2.240 20.117 0.059 122 HB VAL 19 HB VAL 19 2.784 18.618 1.982 123 HG11 VAL 19 1HG1 VAL 19 0.797 17.853 2.868 124 HG12 VAL 19 2HG1 VAL 19 0.092 17.527 1.283 125 HG13 VAL 19 3HG1 VAL 19 1.331 16.454 1.938 126 HG21 VAL 19 1HG2 VAL 19 2.125 17.227 -0.613 127 HG22 VAL 19 2HG2 VAL 19 3.592 18.146 -0.278 128 HG23 VAL 19 3HG2 VAL 19 3.264 16.657 0.607 129 H ASP 20 H ASP 20 1.676 18.895 -1.810 130 HA ASP 20 HA ASP 20 -1.153 19.044 -2.421 131 HB2 ASP 20 1HB ASP 20 1.355 18.685 -3.998 132 HB3 ASP 20 2HB ASP 20 -0.158 18.122 -4.701 133 H THR 21 H THR 21 1.381 16.546 -2.482 134 HA THR 21 HA THR 21 1.187 14.259 -2.767 135 HB THR 21 HB THR 21 -0.187 13.255 -0.867 136 HG1 THR 21 1HG THR 21 -0.301 15.835 0.228 137 HG21 THR 21 1HG2 THR 21 2.224 14.870 -0.782 138 HG22 THR 21 2HG2 THR 21 1.878 13.322 -0.012 139 HG23 THR 21 3HG2 THR 21 1.403 14.825 0.778 140 H SER 22 H SER 22 -0.473 15.506 -4.628 141 HA SER 22 HA SER 22 -2.898 13.835 -4.580 142 HB2 SER 22 1HB SER 22 -2.343 16.574 -5.591 143 HB3 SER 22 2HB SER 22 -3.454 15.586 -6.538 144 HG SER 22 HG SER 22 -4.367 15.197 -4.245 145 H ARG 23 H ARG 23 0.122 14.152 -5.988 146 HA ARG 23 HA ARG 23 -0.708 12.497 -8.280 147 HB2 ARG 23 1HB ARG 23 1.396 14.660 -8.184 148 HB3 ARG 23 2HB ARG 23 1.269 13.493 -9.493 149 HG2 ARG 23 1HG ARG 23 -0.621 14.439 -10.344 150 HG3 ARG 23 2HG ARG 23 -1.153 15.052 -8.776 151 HD2 ARG 23 1HD ARG 23 1.319 16.152 -10.042 152 HD3 ARG 23 2HD ARG 23 -0.263 16.696 -10.599 153 HE ARG 23 HE ARG 23 0.142 16.818 -7.739 154 HH11 ARG 23 1HH1 ARG 23 0.350 18.494 -10.783 155 HH12 ARG 23 2HH1 ARG 23 0.298 20.071 -10.066 156 HH21 ARG 23 1HH2 ARG 23 0.074 18.888 -6.784 157 HH22 ARG 23 2HH2 ARG 23 0.142 20.294 -7.792 158 H ILE 24 H ILE 24 0.051 11.510 -5.737 159 HA ILE 24 HA ILE 24 2.799 10.584 -6.032 160 HB ILE 24 HB ILE 24 0.775 10.227 -3.827 161 HG12 ILE 24 1HG1 ILE 24 3.336 11.794 -4.120 162 HG13 ILE 24 2HG1 ILE 24 1.723 12.410 -3.779 163 HG21 ILE 24 1HG2 ILE 24 2.977 8.547 -4.479 164 HG22 ILE 24 2HG2 ILE 24 3.351 9.413 -2.989 165 HG23 ILE 24 3HG2 ILE 24 1.880 8.447 -3.101 166 HD11 ILE 24 1HD1 ILE 24 2.588 12.521 -1.696 167 HD12 ILE 24 2HD1 ILE 24 2.015 10.854 -1.647 168 HD13 ILE 24 3HD1 ILE 24 3.715 11.193 -1.971 169 H LYS 25 H LYS 25 3.275 8.751 -7.028 170 HA LYS 25 HA LYS 25 1.167 6.715 -7.318 171 HB2 LYS 25 1HB LYS 25 3.327 7.679 -9.119 172 HB3 LYS 25 2HB LYS 25 2.931 5.967 -9.186 173 HG2 LYS 25 1HG LYS 25 0.554 6.604 -9.574 174 HG3 LYS 25 2HG LYS 25 1.080 8.285 -9.689 175 HD2 LYS 25 1HD LYS 25 1.092 7.678 -11.905 176 HD3 LYS 25 2HD LYS 25 2.759 7.310 -11.455 177 HE2 LYS 25 1HE LYS 25 2.065 4.958 -11.046 178 HE3 LYS 25 2HE LYS 25 0.461 5.367 -11.655 179 HZ1 LYS 25 1HZ LYS 25 2.160 4.338 -13.254 180 HZ2 LYS 25 2HZ LYS 25 2.860 5.877 -13.292 181 HZ3 LYS 25 3HZ LYS 25 1.257 5.664 -13.791 182 H VAL 26 H VAL 26 1.894 4.456 -7.359 183 HA VAL 26 HA VAL 26 4.431 3.912 -6.027 184 HB VAL 26 HB VAL 26 3.322 2.423 -4.364 185 HG11 VAL 26 1HG1 VAL 26 2.410 5.279 -4.087 186 HG12 VAL 26 2HG1 VAL 26 2.844 4.149 -2.803 187 HG13 VAL 26 3HG1 VAL 26 4.087 4.773 -3.887 188 HG21 VAL 26 1HG2 VAL 26 1.196 2.105 -5.493 189 HG22 VAL 26 2HG2 VAL 26 0.935 2.780 -3.885 190 HG23 VAL 26 3HG2 VAL 26 0.817 3.817 -5.307 191 H PHE 27 H PHE 27 5.366 2.138 -6.821 192 HA PHE 27 HA PHE 27 3.676 0.133 -8.155 193 HB2 PHE 27 1HB PHE 27 5.691 -0.111 -9.766 194 HB3 PHE 27 2HB PHE 27 4.585 1.238 -10.003 195 HD1 PHE 27 1HD PHE 27 5.265 3.509 -9.502 196 HD2 PHE 27 2HD PHE 27 7.943 0.241 -8.986 197 HE1 PHE 27 1HE PHE 27 7.152 5.082 -9.358 198 HE2 PHE 27 2HE PHE 27 9.833 1.808 -8.841 199 HZ PHE 27 HZ PHE 27 9.439 4.232 -9.026 200 H GLY 28 H GLY 28 4.370 -2.004 -8.032 201 HA2 GLY 28 1HA GLY 28 6.483 -3.362 -7.482 202 HA3 GLY 28 2HA GLY 28 6.415 -2.476 -5.965 203 HA PRO 29 HA PRO 29 3.815 -6.459 -5.912 204 HB2 PRO 29 1HB PRO 29 5.459 -7.974 -4.372 205 HB3 PRO 29 2HB PRO 29 5.544 -7.956 -6.137 206 HG2 PRO 29 1HG PRO 29 7.238 -6.499 -4.145 207 HG3 PRO 29 2HG PRO 29 7.729 -7.351 -5.621 208 HD2 PRO 29 1HD PRO 29 7.474 -4.657 -5.510 209 HD3 PRO 29 2HD PRO 29 7.141 -5.588 -6.984 210 H GLY 30 H GLY 30 5.816 -4.880 -3.451 211 HA2 GLY 30 1HA GLY 30 4.475 -5.730 -1.162 212 HA3 GLY 30 2HA GLY 30 5.335 -4.205 -1.312 213 H ILE 31 H ILE 31 3.514 -3.404 -3.556 214 HA ILE 31 HA ILE 31 1.225 -2.628 -1.872 215 HB ILE 31 HB ILE 31 2.799 -0.818 -2.747 216 HG12 ILE 31 1HG1 ILE 31 0.879 0.691 -3.326 217 HG13 ILE 31 2HG1 ILE 31 -0.163 -0.727 -3.350 218 HG21 ILE 31 1HG2 ILE 31 2.362 -2.096 -5.160 219 HG22 ILE 31 2HG2 ILE 31 1.391 -0.629 -5.275 220 HG23 ILE 31 3HG2 ILE 31 3.118 -0.519 -4.932 221 HD11 ILE 31 1HD1 ILE 31 -0.528 -0.362 -1.199 222 HD12 ILE 31 2HD1 ILE 31 1.140 -0.855 -0.903 223 HD13 ILE 31 3HD1 ILE 31 0.749 0.851 -1.123 224 H GLU 32 H GLU 32 2.203 -4.115 -4.840 225 HA GLU 32 HA GLU 32 -0.431 -4.028 -6.026 226 HB2 GLU 32 1HB GLU 32 2.123 -5.421 -6.830 227 HB3 GLU 32 2HB GLU 32 0.627 -5.539 -7.745 228 HG2 GLU 32 1HG GLU 32 1.724 -2.847 -7.104 229 HG3 GLU 32 2HG GLU 32 2.463 -3.798 -8.391 230 H GLY 33 H GLY 33 1.703 -6.546 -4.688 231 HA2 GLY 33 1HA GLY 33 0.806 -8.235 -3.217 232 HA3 GLY 33 2HA GLY 33 -0.714 -8.125 -4.093 233 H LYS 34 H LYS 34 2.619 -8.485 -5.271 234 HA LYS 34 HA LYS 34 1.737 -10.741 -6.902 235 HB2 LYS 34 1HB LYS 34 4.457 -9.441 -6.934 236 HB3 LYS 34 2HB LYS 34 3.716 -10.426 -8.188 237 HG2 LYS 34 1HG LYS 34 2.766 -7.698 -7.335 238 HG3 LYS 34 2HG LYS 34 3.751 -8.042 -8.759 239 HD2 LYS 34 1HD LYS 34 1.188 -9.517 -8.414 240 HD3 LYS 34 2HD LYS 34 1.124 -7.827 -8.920 241 HE2 LYS 34 1HE LYS 34 2.757 -8.424 -10.738 242 HE3 LYS 34 2HE LYS 34 2.520 -10.114 -10.298 243 HZ1 LYS 34 1HZ LYS 34 -0.006 -9.251 -10.583 244 HZ2 LYS 34 2HZ LYS 34 0.883 -10.021 -11.798 245 HZ3 LYS 34 3HZ LYS 34 0.785 -8.332 -11.763 246 H ASP 35 H ASP 35 4.782 -10.079 -5.175 247 HA ASP 35 HA ASP 35 4.832 -12.904 -4.364 248 HB2 ASP 35 1HB ASP 35 7.121 -10.928 -4.444 249 HB3 ASP 35 2HB ASP 35 7.239 -12.655 -4.117 250 H VAL 36 H VAL 36 3.249 -10.937 -2.980 251 HA VAL 36 HA VAL 36 4.677 -10.283 -0.548 252 HB VAL 36 HB VAL 36 1.729 -9.991 -1.140 253 HG11 VAL 36 1HG1 VAL 36 2.119 -8.118 0.638 254 HG12 VAL 36 2HG1 VAL 36 1.882 -9.790 1.150 255 HG13 VAL 36 3HG1 VAL 36 3.507 -9.107 1.089 256 HG21 VAL 36 1HG2 VAL 36 3.174 -8.767 -2.741 257 HG22 VAL 36 2HG2 VAL 36 2.191 -7.701 -1.737 258 HG23 VAL 36 3HG2 VAL 36 3.904 -7.915 -1.381 259 H PHE 37 H PHE 37 3.768 -13.116 -1.606 260 HA PHE 37 HA PHE 37 1.984 -14.390 -0.054 261 HB2 PHE 37 1HB PHE 37 4.731 -15.582 -0.342 262 HB3 PHE 37 2HB PHE 37 3.169 -16.394 -0.388 263 HD1 PHE 37 1HD PHE 37 1.629 -14.963 -2.317 264 HD2 PHE 37 2HD PHE 37 5.790 -15.857 -2.358 265 HE1 PHE 37 1HE PHE 37 1.630 -14.828 -4.774 266 HE2 PHE 37 2HE PHE 37 5.798 -15.723 -4.814 267 HZ PHE 37 HZ PHE 37 3.717 -15.208 -6.026 268 H ARG 38 H ARG 38 2.047 -15.559 1.951 269 HA ARG 38 HA ARG 38 2.891 -14.051 4.133 270 HB2 ARG 38 1HB ARG 38 1.132 -15.901 4.056 271 HB3 ARG 38 2HB ARG 38 2.467 -17.033 4.224 272 HG2 ARG 38 1HG ARG 38 3.080 -16.020 6.349 273 HG3 ARG 38 2HG ARG 38 1.772 -14.848 6.176 274 HD2 ARG 38 1HD ARG 38 0.119 -16.479 6.454 275 HD3 ARG 38 2HD ARG 38 1.239 -17.798 6.117 276 HE ARG 38 HE ARG 38 2.255 -16.709 8.365 277 HH11 ARG 38 1HH1 ARG 38 -0.936 -17.785 7.483 278 HH12 ARG 38 2HH1 ARG 38 -1.374 -18.233 9.099 279 HH21 ARG 38 1HH2 ARG 38 1.691 -17.295 10.497 280 HH22 ARG 38 2HH2 ARG 38 0.121 -17.953 10.812 281 H GLU 39 H GLU 39 4.669 -14.043 5.420 282 HA GLU 39 HA GLU 39 6.823 -14.362 6.080 283 HB2 GLU 39 1HB GLU 39 6.277 -17.116 4.970 284 HB3 GLU 39 2HB GLU 39 7.764 -16.687 5.803 285 HG2 GLU 39 1HG GLU 39 5.081 -16.296 7.077 286 HG3 GLU 39 2HG GLU 39 5.929 -17.840 7.145 287 H ALA 40 H ALA 40 6.307 -13.190 3.528 288 HA ALA 40 HA ALA 40 8.770 -13.964 2.105 289 HB1 ALA 40 1HB ALA 40 6.669 -12.636 0.526 290 HB2 ALA 40 2HB ALA 40 7.745 -13.967 0.098 291 HB3 ALA 40 3HB ALA 40 6.301 -14.275 1.064 292 H THR 41 H THR 41 10.093 -12.332 1.377 293 HA THR 41 HA THR 41 9.769 -9.776 2.683 294 HB THR 41 HB THR 41 11.969 -10.672 0.810 295 HG1 THR 41 1HG THR 41 11.564 -10.990 3.588 296 HG21 THR 41 1HG2 THR 41 12.843 -8.814 2.761 297 HG22 THR 41 2HG2 THR 41 11.376 -8.161 2.031 298 HG23 THR 41 3HG2 THR 41 12.749 -8.597 1.014 299 H THR 42 H THR 42 8.255 -8.514 1.741 300 HA THR 42 HA THR 42 8.589 -7.936 -1.131 301 HB THR 42 HB THR 42 6.471 -9.151 -0.632 302 HG1 THR 42 1HG THR 42 6.757 -7.425 -2.316 303 HG21 THR 42 1HG2 THR 42 6.038 -6.756 1.124 304 HG22 THR 42 2HG2 THR 42 5.807 -8.464 1.498 305 HG23 THR 42 3HG2 THR 42 4.673 -7.632 0.434 306 H ASP 43 H ASP 43 8.471 -5.806 -1.789 307 HA ASP 43 HA ASP 43 7.893 -3.725 0.151 308 HB2 ASP 43 1HB ASP 43 10.021 -2.604 -0.061 309 HB3 ASP 43 2HB ASP 43 10.310 -4.259 0.468 310 H PHE 44 H PHE 44 7.697 -1.611 -0.813 311 HA PHE 44 HA PHE 44 7.301 -1.711 -3.731 312 HB2 PHE 44 1HB PHE 44 5.439 -0.094 -3.409 313 HB3 PHE 44 2HB PHE 44 5.139 -1.651 -2.643 314 HD1 PHE 44 2HD PHE 44 5.295 -1.873 -0.192 315 HD2 PHE 44 1HD PHE 44 5.618 1.900 -2.136 316 HE1 PHE 44 2HE PHE 44 4.867 -0.737 1.948 317 HE2 PHE 44 1HE PHE 44 5.192 3.042 0.002 318 HZ PHE 44 HZ PHE 44 4.815 1.723 2.047 319 H THR 45 H THR 45 7.125 0.629 -4.627 320 HA THR 45 HA THR 45 9.180 2.312 -3.352 321 HB THR 45 HB THR 45 8.894 1.851 -6.328 322 HG1 THR 45 1HG THR 45 11.261 1.105 -5.518 323 HG21 THR 45 1HG2 THR 45 11.303 3.109 -5.162 324 HG22 THR 45 2HG2 THR 45 9.834 4.085 -5.162 325 HG23 THR 45 3HG2 THR 45 10.468 3.447 -6.678 326 H VAL 46 H VAL 46 8.600 4.365 -3.048 327 HA VAL 46 HA VAL 46 6.149 5.320 -4.362 328 HB VAL 46 HB VAL 46 7.477 6.402 -1.874 329 HG11 VAL 46 1HG1 VAL 46 4.644 6.933 -2.610 330 HG12 VAL 46 2HG1 VAL 46 5.780 7.926 -1.695 331 HG13 VAL 46 3HG1 VAL 46 5.912 7.824 -3.451 332 HG21 VAL 46 1HG2 VAL 46 5.484 5.377 -0.729 333 HG22 VAL 46 2HG2 VAL 46 5.164 4.505 -2.227 334 HG23 VAL 46 3HG2 VAL 46 6.669 4.228 -1.350 335 H ASP 47 H ASP 47 6.536 6.541 -6.085 336 HA ASP 47 HA ASP 47 8.998 8.041 -6.341 337 HB2 ASP 47 1HB ASP 47 7.568 6.763 -8.183 338 HB3 ASP 47 2HB ASP 47 6.775 8.332 -8.306 339 H SER 48 H SER 48 9.266 10.142 -5.939 340 HA SER 48 HA SER 48 6.876 11.832 -5.632 341 HB2 SER 48 1HB SER 48 8.095 12.983 -3.738 342 HB3 SER 48 2HB SER 48 7.558 11.340 -3.390 343 HG SER 48 HG SER 48 10.104 11.608 -4.461 344 H ARG 49 H ARG 49 7.028 13.886 -6.415 345 HA ARG 49 HA ARG 49 9.630 14.776 -7.446 346 HB2 ARG 49 1HB ARG 49 7.163 14.228 -8.966 347 HB3 ARG 49 2HB ARG 49 7.939 15.762 -9.333 348 HG2 ARG 49 1HG ARG 49 9.117 13.007 -9.566 349 HG3 ARG 49 2HG ARG 49 8.770 14.152 -10.863 350 HD2 ARG 49 1HD ARG 49 10.409 15.701 -9.564 351 HD3 ARG 49 2HD ARG 49 10.958 14.197 -8.826 352 HE ARG 49 HE ARG 49 11.913 13.583 -10.831 353 HH11 ARG 49 1HH1 ARG 49 9.911 16.396 -11.276 354 HH12 ARG 49 2HH1 ARG 49 10.490 16.716 -12.877 355 HH21 ARG 49 1HH2 ARG 49 12.683 13.994 -12.938 356 HH22 ARG 49 2HH2 ARG 49 12.066 15.348 -13.822 357 HA PRO 50 HA PRO 50 6.988 18.746 -6.981 358 HB2 PRO 50 1HB PRO 50 4.321 18.491 -6.541 359 HB3 PRO 50 2HB PRO 50 5.028 18.535 -8.161 360 HG2 PRO 50 1HG PRO 50 4.152 16.176 -6.539 361 HG3 PRO 50 2HG PRO 50 3.902 16.502 -8.264 362 HD2 PRO 50 1HD PRO 50 5.833 14.832 -7.362 363 HD3 PRO 50 2HD PRO 50 6.026 15.810 -8.832 364 H LEU 51 H LEU 51 7.254 16.228 -4.942 365 HA LEU 51 HA LEU 51 6.315 17.773 -2.616 366 HB2 LEU 51 1HB LEU 51 6.761 14.803 -2.648 367 HB3 LEU 51 2HB LEU 51 5.894 15.764 -1.452 368 HG LEU 51 HG LEU 51 4.978 15.150 -4.261 369 HD11 LEU 51 1HD1 LEU 51 4.740 13.219 -2.897 370 HD12 LEU 51 2HD1 LEU 51 3.149 13.967 -3.022 371 HD13 LEU 51 3HD1 LEU 51 4.104 14.167 -1.553 372 HD21 LEU 51 1HD2 LEU 51 3.139 16.493 -3.941 373 HD22 LEU 51 2HD2 LEU 51 4.393 17.435 -3.134 374 HD23 LEU 51 3HD2 LEU 51 3.279 16.453 -2.183 375 H THR 52 H THR 52 8.798 15.473 -3.703 376 HA THR 52 HA THR 52 10.754 16.898 -2.055 377 HB THR 52 HB THR 52 9.866 14.818 -0.848 378 HG1 THR 52 1HG THR 52 12.051 15.958 -0.661 379 HG21 THR 52 1HG2 THR 52 10.549 13.622 -3.303 380 HG22 THR 52 2HG2 THR 52 9.994 12.823 -1.832 381 HG23 THR 52 3HG2 THR 52 11.720 13.036 -2.123 382 H GLN 53 H GLN 53 13.010 16.295 -2.617 383 HA GLN 53 HA GLN 53 13.235 15.399 -5.413 384 HB2 GLN 53 1HB GLN 53 14.835 17.611 -4.116 385 HB3 GLN 53 2HB GLN 53 14.985 17.058 -5.778 386 HG2 GLN 53 1HG GLN 53 12.453 18.216 -4.650 387 HG3 GLN 53 2HG GLN 53 13.696 19.182 -5.444 388 HE21 GLN 53 1HE2 GLN 53 11.029 17.104 -5.854 389 HE22 GLN 53 2HE2 GLN 53 11.029 17.061 -7.580 390 H VAL 54 H VAL 54 14.853 15.760 -2.291 391 HA VAL 54 HA VAL 54 16.817 13.729 -3.111 392 HB VAL 54 HB VAL 54 18.186 14.462 -1.238 393 HG11 VAL 54 1HG1 VAL 54 19.006 15.840 -2.782 394 HG12 VAL 54 2HG1 VAL 54 17.402 16.161 -3.444 395 HG13 VAL 54 3HG1 VAL 54 17.997 17.102 -2.076 396 HG21 VAL 54 1HG2 VAL 54 17.413 15.631 0.494 397 HG22 VAL 54 2HG2 VAL 54 16.719 16.865 -0.558 398 HG23 VAL 54 3HG2 VAL 54 15.800 15.407 -0.184 399 H GLY 55 H GLY 55 14.166 12.947 -2.460 400 HA2 GLY 55 1HA GLY 55 13.190 11.211 -1.301 401 HA3 GLY 55 2HA GLY 55 14.734 10.945 -0.504 402 H GLY 56 H GLY 56 14.910 11.464 1.588 403 HA2 GLY 56 1HA GLY 56 14.494 13.056 3.384 404 HA3 GLY 56 2HA GLY 56 12.882 13.285 2.723 405 H ASP 57 H ASP 57 12.527 12.863 5.142 406 HA ASP 57 HA ASP 57 11.960 9.994 5.457 407 HB2 ASP 57 1HB ASP 57 12.405 10.384 7.955 408 HB3 ASP 57 2HB ASP 57 13.805 10.269 6.893 409 H HIS 58 H HIS 58 10.143 11.843 4.476 410 HA HIS 58 HA HIS 58 8.357 12.375 6.750 411 HB2 HIS 58 1HB HIS 58 8.735 13.649 4.083 412 HB3 HIS 58 2HB HIS 58 7.116 13.663 4.777 413 HD1 HIS 58 1HD HIS 58 6.671 15.727 6.040 414 HD2 HIS 58 2HD HIS 58 10.681 14.656 6.226 415 HE1 HIS 58 1HE HIS 58 7.780 17.512 7.421 416 H ILE 59 H ILE 59 8.751 9.741 5.557 417 HA ILE 59 HA ILE 59 6.049 9.287 4.468 418 HB ILE 59 HB ILE 59 8.573 7.697 4.000 419 HG12 ILE 59 1HG1 ILE 59 8.529 9.665 2.628 420 HG13 ILE 59 2HG1 ILE 59 8.088 8.301 1.607 421 HG21 ILE 59 1HG2 ILE 59 6.727 6.167 4.215 422 HG22 ILE 59 2HG2 ILE 59 5.742 7.144 3.127 423 HG23 ILE 59 3HG2 ILE 59 7.165 6.302 2.512 424 HD11 ILE 59 1HD1 ILE 59 6.523 9.815 0.958 425 HD12 ILE 59 2HD1 ILE 59 5.650 9.032 2.276 426 HD13 ILE 59 3HD1 ILE 59 6.445 10.583 2.544 427 H LYS 60 H LYS 60 4.858 7.526 5.228 428 HA LYS 60 HA LYS 60 5.911 5.819 7.298 429 HB2 LYS 60 1HB LYS 60 5.258 7.997 8.442 430 HB3 LYS 60 2HB LYS 60 3.594 7.610 8.023 431 HG2 LYS 60 1HG LYS 60 3.632 6.715 10.096 432 HG3 LYS 60 2HG LYS 60 4.248 5.320 9.209 433 HD2 LYS 60 1HD LYS 60 6.217 7.330 10.157 434 HD3 LYS 60 2HD LYS 60 5.469 6.283 11.366 435 HE2 LYS 60 1HE LYS 60 6.145 4.323 9.990 436 HE3 LYS 60 2HE LYS 60 7.008 5.424 8.918 437 HZ1 LYS 60 1HZ LYS 60 8.415 6.081 10.744 438 HZ2 LYS 60 2HZ LYS 60 8.466 4.399 10.572 439 HZ3 LYS 60 3HZ LYS 60 7.557 5.094 11.818 440 H ALA 61 H ALA 61 4.891 3.901 7.302 441 HA ALA 61 HA ALA 61 2.301 3.725 5.904 442 HB1 ALA 61 1HB ALA 61 3.894 1.286 5.843 443 HB2 ALA 61 2HB ALA 61 3.052 2.125 4.539 444 HB3 ALA 61 3HB ALA 61 4.667 2.643 5.023 445 H HIS 62 H HIS 62 0.901 1.988 6.578 446 HA HIS 62 HA HIS 62 1.520 0.693 9.112 447 HB2 HIS 62 1HB HIS 62 0.480 2.858 9.724 448 HB3 HIS 62 2HB HIS 62 -0.937 2.426 8.771 449 HD1 HIS 62 1HD HIS 62 -2.709 1.095 9.925 450 HD2 HIS 62 2HD HIS 62 0.871 1.129 12.033 451 HE1 HIS 62 1HE HIS 62 -3.214 -0.012 12.126 452 H ILE 63 H ILE 63 1.263 -1.359 8.470 453 HA ILE 63 HA ILE 63 -0.830 -2.117 6.628 454 HB ILE 63 HB ILE 63 1.167 -3.825 8.118 455 HG12 ILE 63 1HG1 ILE 63 1.155 -3.006 5.209 456 HG13 ILE 63 2HG1 ILE 63 2.085 -2.172 6.449 457 HG21 ILE 63 1HG2 ILE 63 0.507 -5.649 6.779 458 HG22 ILE 63 2HG2 ILE 63 -0.989 -4.932 7.378 459 HG23 ILE 63 3HG2 ILE 63 -0.463 -4.623 5.723 460 HD11 ILE 63 1HD1 ILE 63 3.240 -3.951 4.994 461 HD12 ILE 63 2HD1 ILE 63 3.535 -3.950 6.733 462 HD13 ILE 63 3HD1 ILE 63 2.410 -5.111 6.030 463 H ALA 64 H ALA 64 -2.604 -3.398 7.067 464 HA ALA 64 HA ALA 64 -3.152 -4.015 9.887 465 HB1 ALA 64 1HB ALA 64 -5.239 -3.016 9.895 466 HB2 ALA 64 2HB ALA 64 -4.270 -1.862 8.978 467 HB3 ALA 64 3HB ALA 64 -5.343 -2.980 8.135 468 H ASN 65 H ASN 65 -3.054 -6.192 9.792 469 HA ASN 65 HA ASN 65 -3.831 -7.781 7.611 470 HB2 ASN 65 1HB ASN 65 -3.407 -8.379 10.533 471 HB3 ASN 65 2HB ASN 65 -3.904 -9.631 9.399 472 HD21 ASN 65 1HD2 ASN 65 -1.559 -9.833 10.792 473 HD22 ASN 65 2HD2 ASN 65 -0.224 -9.670 9.707 474 HA PRO 66 HA PRO 66 -8.203 -8.057 7.884 475 HB2 PRO 66 1HB PRO 66 -8.622 -10.614 7.072 476 HB3 PRO 66 2HB PRO 66 -8.123 -9.325 5.970 477 HG2 PRO 66 1HG PRO 66 -6.463 -11.442 7.284 478 HG3 PRO 66 2HG PRO 66 -6.405 -10.851 5.613 479 HD2 PRO 66 1HD PRO 66 -4.641 -10.048 7.504 480 HD3 PRO 66 2HD PRO 66 -5.170 -8.990 6.180 481 H SER 67 H SER 67 -6.207 -9.611 10.021 482 HA SER 67 HA SER 67 -8.431 -10.904 11.448 483 HB2 SER 67 1HB SER 67 -5.452 -11.356 11.509 484 HB3 SER 67 2HB SER 67 -6.505 -11.963 12.786 485 HG SER 67 HG SER 67 -5.986 -13.291 10.747 486 H GLY 68 H GLY 68 -6.074 -8.372 11.593 487 HA2 GLY 68 1HA GLY 68 -6.906 -6.544 13.146 488 HA3 GLY 68 2HA GLY 68 -6.860 -7.794 14.380 489 H ALA 69 H ALA 69 -4.375 -8.902 13.055 490 HA ALA 69 HA ALA 69 -2.495 -7.539 14.683 491 HB1 ALA 69 1HB ALA 69 -2.227 -9.659 12.572 492 HB2 ALA 69 2HB ALA 69 -0.829 -8.984 13.409 493 HB3 ALA 69 3HB ALA 69 -2.083 -9.822 14.323 494 H SER 70 H SER 70 -0.364 -6.744 13.762 495 HA SER 70 HA SER 70 -0.768 -5.240 11.268 496 HB2 SER 70 1HB SER 70 0.419 -3.304 12.355 497 HB3 SER 70 2HB SER 70 -1.180 -3.641 13.017 498 HG SER 70 HG SER 70 1.353 -4.174 14.138 499 H THR 71 H THR 71 0.888 -5.350 9.889 500 HA THR 71 HA THR 71 3.237 -6.867 10.654 501 HB THR 71 HB THR 71 2.597 -5.661 7.958 502 HG1 THR 71 1HG THR 71 0.987 -7.093 8.224 503 HG21 THR 71 1HG2 THR 71 4.970 -6.386 8.458 504 HG22 THR 71 2HG2 THR 71 4.205 -7.168 7.074 505 HG23 THR 71 3HG2 THR 71 4.344 -8.028 8.608 506 H GLU 72 H GLU 72 5.293 -6.111 10.821 507 HA GLU 72 HA GLU 72 5.660 -3.328 11.303 508 HB2 GLU 72 1HB GLU 72 6.901 -5.415 12.299 509 HB3 GLU 72 2HB GLU 72 7.958 -5.206 10.909 510 HG2 GLU 72 1HG GLU 72 8.532 -2.984 11.610 511 HG3 GLU 72 2HG GLU 72 7.358 -3.053 12.923 512 H CYS 73 H CYS 73 6.337 -1.759 9.983 513 HA CYS 73 HA CYS 73 7.232 -2.531 7.285 514 HB2 CYS 73 1HB CYS 73 6.367 -0.330 6.545 515 HB3 CYS 73 2HB CYS 73 5.110 -1.353 7.231 516 HG CYS 73 HG CYS 73 6.558 0.730 9.425 517 H PHE 74 H PHE 74 9.031 -1.577 6.401 518 HA PHE 74 HA PHE 74 10.574 0.198 8.175 519 HB2 PHE 74 1HB PHE 74 11.674 -1.986 6.392 520 HB3 PHE 74 2HB PHE 74 12.627 -0.897 7.395 521 HD1 PHE 74 1HD PHE 74 9.895 -3.413 7.642 522 HD2 PHE 74 2HD PHE 74 13.233 -1.557 9.520 523 HE1 PHE 74 1HE PHE 74 9.715 -4.995 9.518 524 HE2 PHE 74 2HE PHE 74 13.059 -3.136 11.398 525 HZ PHE 74 HZ PHE 74 11.299 -4.859 11.399 526 H VAL 75 H VAL 75 10.448 2.145 7.245 527 HA VAL 75 HA VAL 75 10.321 2.472 4.385 528 HB VAL 75 HB VAL 75 10.578 4.542 6.572 529 HG11 VAL 75 1HG1 VAL 75 10.895 4.780 3.761 530 HG12 VAL 75 2HG1 VAL 75 9.377 5.561 4.209 531 HG13 VAL 75 3HG1 VAL 75 10.886 6.056 4.979 532 HG21 VAL 75 1HG2 VAL 75 8.286 4.714 6.620 533 HG22 VAL 75 2HG2 VAL 75 8.092 4.053 4.997 534 HG23 VAL 75 3HG2 VAL 75 8.483 2.984 6.344 535 H THR 76 H THR 76 11.931 2.973 3.020 536 HA THR 76 HA THR 76 14.560 3.657 4.157 537 HB THR 76 HB THR 76 14.047 1.749 1.868 538 HG1 THR 76 1HG THR 76 14.055 1.291 4.426 539 HG21 THR 76 1HG2 THR 76 16.533 3.041 2.918 540 HG22 THR 76 2HG2 THR 76 16.031 2.772 1.249 541 HG23 THR 76 3HG2 THR 76 16.610 1.422 2.224 542 H ASP 77 H ASP 77 14.978 5.676 3.547 543 HA ASP 77 HA ASP 77 13.922 6.742 1.069 544 HB2 ASP 77 1HB ASP 77 15.179 8.833 1.875 545 HB3 ASP 77 2HB ASP 77 13.812 8.284 2.841 546 H ASN 78 H ASN 78 14.949 6.495 -0.792 547 HA ASN 78 HA ASN 78 17.730 5.734 -0.877 548 HB2 ASN 78 1HB ASN 78 15.691 6.233 -3.054 549 HB3 ASN 78 2HB ASN 78 17.345 5.714 -3.364 550 HD21 ASN 78 1HD2 ASN 78 14.200 4.752 -2.594 551 HD22 ASN 78 2HD2 ASN 78 14.516 3.075 -2.325 552 H ALA 79 H ALA 79 16.498 8.572 -0.225 553 HA ALA 79 HA ALA 79 16.991 10.775 -0.646 554 HB1 ALA 79 1HB ALA 79 19.699 9.460 -0.728 555 HB2 ALA 79 2HB ALA 79 19.455 11.205 -0.647 556 HB3 ALA 79 3HB ALA 79 18.889 10.174 0.667 557 H ASP 80 H ASP 80 16.239 9.279 -3.014 558 HA ASP 80 HA ASP 80 17.654 10.897 -5.026 559 HB2 ASP 80 1HB ASP 80 18.218 8.404 -5.059 560 HB3 ASP 80 2HB ASP 80 16.560 8.146 -5.595 561 H GLY 81 H GLY 81 14.961 10.869 -3.440 562 HA2 GLY 81 1HA GLY 81 13.044 12.108 -4.042 563 HA3 GLY 81 2HA GLY 81 13.386 11.771 -5.733 564 H THR 82 H THR 82 13.591 9.085 -3.631 565 HA THR 82 HA THR 82 10.816 8.300 -4.086 566 HB THR 82 HB THR 82 11.482 6.084 -4.960 567 HG1 THR 82 1HG THR 82 13.845 6.712 -4.151 568 HG21 THR 82 1HG2 THR 82 12.034 8.612 -6.425 569 HG22 THR 82 2HG2 THR 82 10.824 7.367 -6.735 570 HG23 THR 82 3HG2 THR 82 12.505 7.096 -7.193 571 H TYR 83 H TYR 83 10.160 6.449 -2.816 572 HA TYR 83 HA TYR 83 11.919 5.963 -0.502 573 HB2 TYR 83 1HB TYR 83 8.900 6.159 -0.480 574 HB3 TYR 83 2HB TYR 83 9.928 5.848 0.914 575 HD1 TYR 83 1HD TYR 83 8.787 8.385 -1.477 576 HD2 TYR 83 2HD TYR 83 11.189 7.633 1.954 577 HE1 TYR 83 1HE TYR 83 8.960 10.805 -1.075 578 HE2 TYR 83 2HE TYR 83 11.367 10.051 2.366 579 HH TYR 83 HH TYR 83 9.959 12.406 0.126 580 H GLN 84 H GLN 84 11.881 3.896 0.419 581 HA GLN 84 HA GLN 84 10.443 1.829 -1.096 582 HB2 GLN 84 1HB GLN 84 12.804 1.935 -1.846 583 HB3 GLN 84 2HB GLN 84 13.321 1.631 -0.193 584 HG2 GLN 84 1HG GLN 84 13.437 -0.479 -1.002 585 HG3 GLN 84 2HG GLN 84 11.756 -0.478 -0.474 586 HE21 GLN 84 1HE2 GLN 84 10.445 -1.371 -1.878 587 HE22 GLN 84 2HE2 GLN 84 10.601 -1.330 -3.598 588 H VAL 85 H VAL 85 9.052 0.980 0.307 589 HA VAL 85 HA VAL 85 9.910 0.582 3.093 590 HB VAL 85 HB VAL 85 7.111 0.631 1.955 591 HG11 VAL 85 1HG1 VAL 85 7.735 -0.786 4.073 592 HG12 VAL 85 2HG1 VAL 85 7.725 0.790 4.867 593 HG13 VAL 85 3HG1 VAL 85 6.276 0.203 4.048 594 HG21 VAL 85 1HG2 VAL 85 8.888 2.707 3.020 595 HG22 VAL 85 2HG2 VAL 85 7.470 2.850 1.980 596 HG23 VAL 85 3HG2 VAL 85 7.271 2.690 3.725 597 H GLU 86 H GLU 86 10.402 -1.411 3.706 598 HA GLU 86 HA GLU 86 9.369 -3.667 2.125 599 HB2 GLU 86 1HB GLU 86 11.809 -3.476 2.144 600 HB3 GLU 86 2HB GLU 86 11.809 -3.507 3.902 601 HG2 GLU 86 1HG GLU 86 10.649 -5.788 3.648 602 HG3 GLU 86 2HG GLU 86 11.222 -5.722 1.982 603 H TYR 87 H TYR 87 8.220 -5.267 3.071 604 HA TYR 87 HA TYR 87 8.103 -5.499 5.961 605 HB2 TYR 87 1HB TYR 87 5.788 -5.091 6.208 606 HB3 TYR 87 2HB TYR 87 6.389 -3.754 5.234 607 HD1 TYR 87 2HD TYR 87 4.576 -6.982 5.062 608 HD2 TYR 87 1HD TYR 87 5.525 -3.340 3.076 609 HE1 TYR 87 2HE TYR 87 2.894 -7.489 3.341 610 HE2 TYR 87 1HE TYR 87 3.845 -3.837 1.350 611 HH TYR 87 HH TYR 87 2.535 -5.487 0.476 612 H THR 88 H THR 88 7.295 -7.482 6.677 613 HA THR 88 HA THR 88 6.791 -9.466 4.554 614 HB THR 88 HB THR 88 8.105 -10.122 7.188 615 HG1 THR 88 1HG THR 88 9.716 -10.081 4.954 616 HG21 THR 88 1HG2 THR 88 6.967 -11.818 5.510 617 HG22 THR 88 2HG2 THR 88 8.485 -12.211 6.318 618 HG23 THR 88 3HG2 THR 88 8.496 -11.635 4.651 619 HA PRO 89 HA PRO 89 2.982 -9.629 6.994 620 HB2 PRO 89 1HB PRO 89 1.549 -10.884 5.061 621 HB3 PRO 89 2HB PRO 89 1.836 -9.140 5.064 622 HG2 PRO 89 1HG PRO 89 3.245 -11.289 3.528 623 HG3 PRO 89 2HG PRO 89 2.708 -9.691 2.979 624 HD2 PRO 89 1HD PRO 89 5.279 -10.213 3.650 625 HD3 PRO 89 2HD PRO 89 4.530 -8.623 3.902 626 H PHE 90 H PHE 90 2.555 -11.168 8.439 627 HA PHE 90 HA PHE 90 3.441 -13.910 7.878 628 HB2 PHE 90 1HB PHE 90 3.048 -14.130 10.433 629 HB3 PHE 90 2HB PHE 90 4.454 -13.231 9.870 630 HD1 PHE 90 1HD PHE 90 0.931 -12.759 10.962 631 HD2 PHE 90 2HD PHE 90 4.826 -11.076 10.625 632 HE1 PHE 90 1HE PHE 90 0.196 -10.806 12.265 633 HE2 PHE 90 2HE PHE 90 4.097 -9.120 11.928 634 HZ PHE 90 HZ PHE 90 1.780 -8.984 12.751 635 H GLU 91 H GLU 91 0.918 -12.676 6.921 636 HA GLU 91 HA GLU 91 -0.839 -14.829 7.732 637 HB2 GLU 91 1HB GLU 91 -1.281 -11.993 8.515 638 HB3 GLU 91 2HB GLU 91 -2.681 -12.914 7.985 639 HG2 GLU 91 1HG GLU 91 -2.396 -14.510 9.719 640 HG3 GLU 91 2HG GLU 91 -0.820 -13.848 10.150 641 H LYS 92 H LYS 92 -1.960 -15.535 6.034 642 HA LYS 92 HA LYS 92 -1.751 -14.143 3.520 643 HB2 LYS 92 1HB LYS 92 -3.179 -16.713 4.228 644 HB3 LYS 92 2HB LYS 92 -2.916 -16.111 2.597 645 HG2 LYS 92 1HG LYS 92 -0.486 -16.275 2.953 646 HG3 LYS 92 2HG LYS 92 -0.789 -16.950 4.556 647 HD2 LYS 92 1HD LYS 92 -2.055 -18.796 3.482 648 HD3 LYS 92 2HD LYS 92 -1.598 -18.145 1.906 649 HE2 LYS 92 1HE LYS 92 -0.011 -19.804 2.283 650 HE3 LYS 92 2HE LYS 92 0.820 -18.328 2.774 651 HZ1 LYS 92 1HZ LYS 92 1.088 -19.157 4.794 652 HZ2 LYS 92 2HZ LYS 92 0.395 -20.614 4.287 653 HZ3 LYS 92 3HZ LYS 92 -0.575 -19.410 4.973 654 H GLY 93 H GLY 93 -3.070 -12.501 3.077 655 HA2 GLY 93 1HA GLY 93 -5.781 -12.700 2.679 656 HA3 GLY 93 2HA GLY 93 -5.614 -12.173 4.347 657 H LEU 94 H LEU 94 -6.933 -10.417 3.073 658 HA LEU 94 HA LEU 94 -5.216 -8.514 1.701 659 HB2 LEU 94 1HB LEU 94 -7.355 -8.788 0.729 660 HB3 LEU 94 2HB LEU 94 -8.162 -8.608 2.286 661 HG LEU 94 HG LEU 94 -7.648 -6.246 2.323 662 HD11 LEU 94 1HD1 LEU 94 -6.474 -6.430 -0.422 663 HD12 LEU 94 2HD1 LEU 94 -5.461 -6.631 1.007 664 HD13 LEU 94 3HD1 LEU 94 -6.350 -5.128 0.762 665 HD21 LEU 94 1HD2 LEU 94 -9.695 -6.728 1.256 666 HD22 LEU 94 2HD2 LEU 94 -8.891 -7.274 -0.215 667 HD23 LEU 94 3HD2 LEU 94 -8.876 -5.563 0.216 668 H HIS 95 H HIS 95 -4.117 -7.018 2.766 669 HA HIS 95 HA HIS 95 -5.039 -6.215 5.439 670 HB2 HIS 95 1HB HIS 95 -2.330 -5.459 4.478 671 HB3 HIS 95 2HB HIS 95 -2.857 -5.954 6.084 672 HD2 HIS 95 2HD HIS 95 -0.469 -7.299 3.797 673 HE1 HIS 95 1HE HIS 95 -2.613 -10.770 4.962 674 HE2 HIS 95 2HE HIS 95 -0.481 -9.881 3.957 675 H VAL 96 H VAL 96 -4.791 -3.959 6.052 676 HA VAL 96 HA VAL 96 -5.269 -2.169 3.765 677 HB VAL 96 HB VAL 96 -6.145 -1.891 6.643 678 HG11 VAL 96 1HG1 VAL 96 -6.950 -0.087 4.384 679 HG12 VAL 96 2HG1 VAL 96 -7.118 0.171 6.121 680 HG13 VAL 96 3HG1 VAL 96 -5.525 0.243 5.368 681 HG21 VAL 96 1HG2 VAL 96 -7.464 -3.531 5.496 682 HG22 VAL 96 2HG2 VAL 96 -8.422 -2.058 5.641 683 HG23 VAL 96 3HG2 VAL 96 -7.664 -2.468 4.103 684 H VAL 97 H VAL 97 -3.409 -1.189 3.247 685 HA VAL 97 HA VAL 97 -1.535 -0.382 5.323 686 HB VAL 97 HB VAL 97 -1.366 -0.225 2.312 687 HG11 VAL 97 1HG1 VAL 97 0.143 1.388 2.662 688 HG12 VAL 97 2HG1 VAL 97 0.222 1.063 4.395 689 HG13 VAL 97 3HG1 VAL 97 1.182 0.100 3.271 690 HG21 VAL 97 1HG2 VAL 97 0.645 -1.802 3.638 691 HG22 VAL 97 2HG2 VAL 97 -0.970 -2.355 4.080 692 HG23 VAL 97 3HG2 VAL 97 -0.499 -2.274 2.382 693 H GLU 98 H GLU 98 -1.621 1.555 6.233 694 HA GLU 98 HA GLU 98 -3.065 3.708 4.860 695 HB2 GLU 98 1HB GLU 98 -2.492 3.074 7.719 696 HB3 GLU 98 2HB GLU 98 -2.714 4.758 7.267 697 HG2 GLU 98 1HG GLU 98 -4.921 4.417 6.606 698 HG3 GLU 98 2HG GLU 98 -4.714 2.670 6.494 699 H VAL 99 H VAL 99 -1.808 4.991 3.683 700 HA VAL 99 HA VAL 99 0.929 5.545 4.588 701 HB VAL 99 HB VAL 99 -0.315 6.152 1.902 702 HG11 VAL 99 1HG1 VAL 99 1.960 7.199 3.059 703 HG12 VAL 99 2HG1 VAL 99 2.576 5.886 2.053 704 HG13 VAL 99 3HG1 VAL 99 1.592 7.162 1.335 705 HG21 VAL 99 1HG2 VAL 99 0.179 4.091 1.189 706 HG22 VAL 99 2HG2 VAL 99 1.740 4.085 2.010 707 HG23 VAL 99 3HG2 VAL 99 0.276 3.658 2.895 708 H THR 100 H THR 100 1.635 7.574 5.049 709 HA THR 100 HA THR 100 -0.155 9.843 4.603 710 HB THR 100 HB THR 100 0.273 10.642 6.953 711 HG1 THR 100 1HG THR 100 0.646 8.570 8.327 712 HG21 THR 100 1HG2 THR 100 -1.234 8.034 6.874 713 HG22 THR 100 2HG2 THR 100 -1.850 9.521 6.154 714 HG23 THR 100 3HG2 THR 100 -1.549 9.439 7.890 715 H TYR 101 H TYR 101 1.030 11.283 3.544 716 HA TYR 101 HA TYR 101 3.913 11.419 4.034 717 HB2 TYR 101 1HB TYR 101 3.220 11.175 1.704 718 HB3 TYR 101 2HB TYR 101 2.228 12.623 1.828 719 HD1 TYR 101 1HD TYR 101 3.582 14.772 2.660 720 HD2 TYR 101 2HD TYR 101 5.302 11.389 0.738 721 HE1 TYR 101 1HE TYR 101 5.497 16.150 1.962 722 HE2 TYR 101 2HE TYR 101 7.222 12.756 0.036 723 HH TYR 101 HH TYR 101 7.990 14.880 -0.175 724 H ASP 102 H ASP 102 4.602 12.858 5.458 725 HA ASP 102 HA ASP 102 4.796 14.740 6.723 726 HB2 ASP 102 1HB ASP 102 4.921 15.642 4.288 727 HB3 ASP 102 2HB ASP 102 3.304 16.264 4.606 728 H ASP 103 H ASP 103 2.688 13.150 7.439 729 HA ASP 103 HA ASP 103 0.833 13.161 8.758 730 HB2 ASP 103 1HB ASP 103 1.177 16.168 8.756 731 HB3 ASP 103 2HB ASP 103 0.188 15.236 9.877 732 H VAL 104 H VAL 104 0.654 13.329 5.849 733 HA VAL 104 HA VAL 104 -2.147 14.139 5.688 734 HB VAL 104 HB VAL 104 -0.063 15.078 3.712 735 HG11 VAL 104 1HG1 VAL 104 -2.855 16.034 3.570 736 HG12 VAL 104 2HG1 VAL 104 -1.700 15.701 2.278 737 HG13 VAL 104 3HG1 VAL 104 -2.564 14.373 3.053 738 HG21 VAL 104 1HG2 VAL 104 -0.126 16.349 5.830 739 HG22 VAL 104 2HG2 VAL 104 -0.629 17.314 4.442 740 HG23 VAL 104 3HG2 VAL 104 -1.837 16.675 5.557 741 HA PRO 105 HA PRO 105 -2.116 10.151 3.694 742 HB2 PRO 105 1HB PRO 105 -4.795 10.040 3.269 743 HB3 PRO 105 2HB PRO 105 -4.060 9.732 4.846 744 HG2 PRO 105 1HG PRO 105 -5.361 12.224 3.818 745 HG3 PRO 105 2HG PRO 105 -5.516 11.455 5.408 746 HD2 PRO 105 1HD PRO 105 -3.921 13.600 4.976 747 HD3 PRO 105 2HD PRO 105 -3.533 12.347 6.172 748 H ILE 106 H ILE 106 -2.431 9.332 1.600 749 HA ILE 106 HA ILE 106 -2.582 11.390 -0.467 750 HB ILE 106 HB ILE 106 -1.909 9.389 -1.958 751 HG12 ILE 106 1HG1 ILE 106 -1.103 8.292 0.743 752 HG13 ILE 106 2HG1 ILE 106 -2.454 7.685 -0.209 753 HG21 ILE 106 1HG2 ILE 106 0.482 9.643 -1.254 754 HG22 ILE 106 2HG2 ILE 106 -0.379 11.159 -1.518 755 HG23 ILE 106 3HG2 ILE 106 -0.092 10.583 0.124 756 HD11 ILE 106 1HD1 ILE 106 0.477 7.506 -0.784 757 HD12 ILE 106 2HD1 ILE 106 -0.716 6.212 -0.662 758 HD13 ILE 106 3HD1 ILE 106 -0.729 7.294 -2.054 759 HA PRO 107 HA PRO 107 -6.556 10.280 -1.964 760 HB2 PRO 107 1HB PRO 107 -6.241 10.596 -4.642 761 HB3 PRO 107 2HB PRO 107 -6.318 11.957 -3.517 762 HG2 PRO 107 1HG PRO 107 -3.923 10.652 -4.752 763 HG3 PRO 107 2HG PRO 107 -4.264 12.377 -4.523 764 HD2 PRO 107 1HD PRO 107 -2.623 10.985 -2.879 765 HD3 PRO 107 2HD PRO 107 -3.621 12.339 -2.310 766 H ASN 108 H ASN 108 -3.974 8.287 -2.297 767 HA ASN 108 HA ASN 108 -5.446 6.316 -3.913 768 HB2 ASN 108 1HB ASN 108 -2.532 6.083 -3.209 769 HB3 ASN 108 2HB ASN 108 -3.405 5.351 -4.552 770 HD21 ASN 108 1HD2 ASN 108 -4.400 7.001 -6.079 771 HD22 ASN 108 2HD2 ASN 108 -3.391 8.333 -6.519 772 H SER 109 H SER 109 -4.143 7.012 -0.797 773 HA SER 109 HA SER 109 -4.366 4.259 0.117 774 HB2 SER 109 1HB SER 109 -3.361 6.813 1.332 775 HB3 SER 109 2HB SER 109 -3.752 5.440 2.368 776 HG SER 109 HG SER 109 -2.186 4.252 1.400 777 HA PRO 110 HA PRO 110 -4.444 3.591 2.461 778 HB2 PRO 110 1HB PRO 110 -6.022 1.493 3.154 779 HB3 PRO 110 2HB PRO 110 -5.763 2.889 4.207 780 HG2 PRO 110 1HG PRO 110 -8.068 2.284 2.395 781 HG3 PRO 110 2HG PRO 110 -8.082 2.925 4.049 782 HD2 PRO 110 1HD PRO 110 -8.396 4.504 1.871 783 HD3 PRO 110 2HD PRO 110 -7.604 5.071 3.355 784 H PHE 111 H PHE 111 -3.957 1.223 1.915 785 HA PHE 111 HA PHE 111 -4.749 0.710 -0.876 786 HB2 PHE 111 1HB PHE 111 -2.128 0.271 0.544 787 HB3 PHE 111 2HB PHE 111 -2.512 -0.538 -0.971 788 HD1 PHE 111 1HD PHE 111 -3.306 1.046 -2.904 789 HD2 PHE 111 2HD PHE 111 -1.053 2.301 0.482 790 HE1 PHE 111 1HE PHE 111 -2.534 3.020 -4.154 791 HE2 PHE 111 2HE PHE 111 -0.278 4.277 -0.762 792 HZ PHE 111 HZ PHE 111 -1.019 4.639 -3.082 793 H LYS 112 H LYS 112 -4.565 -1.619 -1.521 794 HA LYS 112 HA LYS 112 -5.264 -3.418 0.701 795 HB2 LYS 112 1HB LYS 112 -6.755 -2.862 -1.824 796 HB3 LYS 112 2HB LYS 112 -6.775 -4.502 -1.190 797 HG2 LYS 112 1HG LYS 112 -7.922 -3.891 0.722 798 HG3 LYS 112 2HG LYS 112 -7.445 -2.196 0.588 799 HD2 LYS 112 1HD LYS 112 -9.080 -3.333 -1.611 800 HD3 LYS 112 2HD LYS 112 -9.883 -3.054 -0.064 801 HE2 LYS 112 1HE LYS 112 -8.747 -0.715 -0.209 802 HE3 LYS 112 2HE LYS 112 -8.615 -1.088 -1.927 803 HZ1 LYS 112 1HZ LYS 112 -10.735 -0.571 -2.205 804 HZ2 LYS 112 2HZ LYS 112 -10.820 -0.083 -0.588 805 HZ3 LYS 112 3HZ LYS 112 -11.223 -1.670 -1.014 806 H VAL 113 H VAL 113 -3.625 -4.813 0.815 807 HA VAL 113 HA VAL 113 -2.383 -5.773 -1.664 808 HB VAL 113 HB VAL 113 -1.448 -6.024 1.198 809 HG11 VAL 113 1HG1 VAL 113 0.433 -6.538 -0.997 810 HG12 VAL 113 2HG1 VAL 113 0.225 -7.375 0.542 811 HG13 VAL 113 3HG1 VAL 113 -0.843 -7.741 -0.814 812 HG21 VAL 113 1HG2 VAL 113 -1.172 -3.949 -0.782 813 HG22 VAL 113 2HG2 VAL 113 -0.672 -3.958 0.909 814 HG23 VAL 113 3HG2 VAL 113 0.404 -4.600 -0.332 815 H ALA 114 H ALA 114 -3.673 -7.395 -2.399 816 HA ALA 114 HA ALA 114 -4.782 -9.383 -0.640 817 HB1 ALA 114 1HB ALA 114 -5.784 -10.326 -2.577 818 HB2 ALA 114 2HB ALA 114 -5.878 -8.572 -2.749 819 HB3 ALA 114 3HB ALA 114 -4.663 -9.482 -3.646 820 H VAL 115 H VAL 115 -3.177 -10.538 0.349 821 HA VAL 115 HA VAL 115 -0.958 -11.618 -1.143 822 HB VAL 115 HB VAL 115 -1.825 -12.079 1.713 823 HG11 VAL 115 1HG1 VAL 115 0.855 -12.766 0.543 824 HG12 VAL 115 2HG1 VAL 115 0.170 -13.257 2.094 825 HG13 VAL 115 3HG1 VAL 115 -0.471 -13.927 0.593 826 HG21 VAL 115 1HG2 VAL 115 0.363 -10.719 2.051 827 HG22 VAL 115 2HG2 VAL 115 0.079 -10.188 0.393 828 HG23 VAL 115 3HG2 VAL 115 -1.129 -9.873 1.638 829 H THR 116 H THR 116 -0.604 -13.737 -1.704 830 HA THR 116 HA THR 116 -2.884 -15.576 -1.371 831 HB THR 116 HB THR 116 -2.791 -14.853 -3.689 832 HG1 THR 116 1HG THR 116 -1.752 -17.493 -3.389 833 HG21 THR 116 1HG2 THR 116 -0.238 -16.126 -4.338 834 HG22 THR 116 2HG2 THR 116 -0.076 -14.688 -3.329 835 HG23 THR 116 3HG2 THR 116 -0.907 -14.587 -4.881 836 H GLU 117 H GLU 117 -2.387 -17.820 -1.237 837 HA GLU 117 HA GLU 117 -0.270 -18.480 0.426 838 HB2 GLU 117 1HB GLU 117 -1.975 -20.158 -1.402 839 HB3 GLU 117 2HB GLU 117 -0.735 -20.871 -0.380 840 HG2 GLU 117 1HG GLU 117 -1.840 -20.215 1.593 841 HG3 GLU 117 2HG GLU 117 -2.921 -19.132 0.717 842 H GLY 118 H GLY 118 1.810 -18.157 -0.061 843 HA2 GLY 118 1HA GLY 118 2.841 -18.329 -2.721 844 HA3 GLY 118 2HA GLY 118 3.782 -18.115 -1.253 845 H CYS 119 H CYS 119 2.257 -20.478 -3.361 846 HA CYS 119 HA CYS 119 3.092 -22.797 -2.012 847 HB2 CYS 119 1HB CYS 119 1.372 -22.751 -3.804 848 HB3 CYS 119 2HB CYS 119 2.642 -22.445 -4.983 849 HG CYS 119 HG CYS 119 2.067 -25.067 -5.362 850 H GLN 120 H GLN 120 4.999 -23.792 -1.859 851 HA GLN 120 HA GLN 120 7.050 -23.422 -3.869 852 HB2 GLN 120 1HB GLN 120 8.735 -22.567 -2.381 853 HB3 GLN 120 2HB GLN 120 7.343 -21.495 -2.317 854 HG2 GLN 120 1HG GLN 120 6.649 -22.449 -0.217 855 HG3 GLN 120 2HG GLN 120 7.948 -23.638 -0.294 856 HE21 GLN 120 1HE2 GLN 120 7.025 -20.655 0.871 857 HE22 GLN 120 2HE2 GLN 120 8.579 -20.053 1.326 858 HA PRO 121 HA PRO 121 7.895 -27.590 -2.747 859 HB2 PRO 121 1HB PRO 121 10.403 -27.816 -3.761 860 HB3 PRO 121 2HB PRO 121 8.957 -27.765 -4.777 861 HG2 PRO 121 1HG PRO 121 10.880 -25.571 -4.107 862 HG3 PRO 121 2HG PRO 121 10.142 -25.974 -5.668 863 HD2 PRO 121 1HD PRO 121 9.232 -23.961 -4.102 864 HD3 PRO 121 2HD PRO 121 8.161 -24.918 -5.146 865 H SER 122 H SER 122 9.492 -28.924 -1.561 866 HA SER 122 HA SER 122 10.309 -27.588 0.841 867 HB2 SER 122 1HB SER 122 9.381 -29.880 0.866 868 HB3 SER 122 2HB SER 122 10.789 -30.449 -0.030 869 HG SER 122 HG SER 122 12.083 -29.875 1.725 870 H SER 123 H SER 123 12.088 -26.384 0.873 871 HA SER 123 HA SER 123 14.612 -27.565 0.064 872 HB2 SER 123 1HB SER 123 13.743 -26.399 -1.976 873 HB3 SER 123 2HB SER 123 13.768 -24.888 -1.068 874 HG SER 123 HG SER 123 15.675 -25.328 -2.376 875 H GLY 124 H GLY 124 16.469 -26.369 0.856 876 HA2 GLY 124 1HA GLY 124 15.764 -24.584 3.105 877 HA3 GLY 124 2HA GLY 124 17.031 -25.798 3.212 878 HA PRO 125 HA PRO 125 18.505 -21.562 1.495 879 HB2 PRO 125 1HB PRO 125 19.332 -20.369 3.790 880 HB3 PRO 125 2HB PRO 125 17.707 -20.156 3.128 881 HG2 PRO 125 1HG PRO 125 18.635 -21.966 5.324 882 HG3 PRO 125 2HG PRO 125 17.180 -20.955 5.247 883 HD2 PRO 125 1HD PRO 125 17.132 -23.619 4.763 884 HD3 PRO 125 2HD PRO 125 16.037 -22.481 3.952 885 H SER 126 H SER 126 19.712 -23.560 4.157 886 HA SER 126 HA SER 126 22.359 -23.537 2.877 887 HB2 SER 126 1HB SER 126 21.730 -23.173 5.807 888 HB3 SER 126 2HB SER 126 23.323 -23.668 5.235 889 HG SER 126 HG SER 126 22.031 -21.213 5.017 890 H SER 127 H SER 127 22.628 -25.535 2.132 891 HA SER 127 HA SER 127 21.322 -27.829 2.727 892 HB2 SER 127 1HB SER 127 23.349 -29.065 1.964 893 HB3 SER 127 2HB SER 127 22.919 -27.723 0.905 894 HG SER 127 HG SER 127 25.187 -27.854 1.443 895 H GLY 128 H GLY 128 21.057 -29.056 4.468 896 HA2 GLY 128 1HA GLY 128 23.245 -29.258 6.418 897 HA3 GLY 128 2HA GLY 128 21.657 -28.757 6.980 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -26.296 3.475 19.295 2 HA2 GLY 1 1HA GLY 1 -26.409 3.369 22.240 3 HA3 GLY 1 2HA GLY 1 -27.309 2.313 21.161 4 H SER 2 H SER 2 -23.873 3.236 21.363 5 HA SER 2 HA SER 2 -23.206 0.374 21.275 6 HB2 SER 2 1HB SER 2 -22.339 2.047 19.501 7 HB3 SER 2 2HB SER 2 -21.248 2.603 20.770 8 HG SER 2 HG SER 2 -20.212 1.004 19.613 9 H SER 3 H SER 3 -21.254 -0.288 22.492 10 HA SER 3 HA SER 3 -20.892 1.274 24.961 11 HB2 SER 3 1HB SER 3 -22.401 -0.860 25.091 12 HB3 SER 3 2HB SER 3 -20.866 -1.727 25.026 13 HG SER 3 HG SER 3 -20.845 -1.362 27.096 14 H GLY 4 H GLY 4 -18.836 1.791 25.277 15 HA2 GLY 4 1HA GLY 4 -16.644 0.248 25.470 16 HA3 GLY 4 2HA GLY 4 -16.757 0.487 23.733 17 H SER 5 H SER 5 -14.602 1.470 24.115 18 HA SER 5 HA SER 5 -14.837 4.254 25.050 19 HB2 SER 5 1HB SER 5 -12.467 2.383 24.983 20 HB3 SER 5 2HB SER 5 -12.305 4.118 25.251 21 HG SER 5 HG SER 5 -12.512 3.371 27.258 22 H SER 6 H SER 6 -15.208 5.512 23.335 23 HA SER 6 HA SER 6 -13.226 5.731 21.279 24 HB2 SER 6 1HB SER 6 -15.892 4.486 20.676 25 HB3 SER 6 2HB SER 6 -15.064 5.444 19.448 26 HG SER 6 HG SER 6 -14.562 3.179 19.373 27 H GLY 7 H GLY 7 -13.668 7.537 19.804 28 HA2 GLY 7 1HA GLY 7 -15.723 9.272 19.702 29 HA3 GLY 7 2HA GLY 7 -14.980 9.687 21.240 30 H HIS 8 H HIS 8 -15.026 11.703 19.607 31 HA HIS 8 HA HIS 8 -12.244 12.083 18.891 32 HB2 HIS 8 1HB HIS 8 -14.469 12.209 16.858 33 HB3 HIS 8 2HB HIS 8 -12.926 13.026 16.624 34 HD1 HIS 8 1HD HIS 8 -14.567 9.972 15.833 35 HD2 HIS 8 2HD HIS 8 -10.685 11.009 16.890 36 HE1 HIS 8 1HE HIS 8 -13.128 8.056 15.070 37 H PHE 9 H PHE 9 -11.591 14.144 19.201 38 HA PHE 9 HA PHE 9 -13.333 15.947 20.533 39 HB2 PHE 9 1HB PHE 9 -11.456 17.331 20.819 40 HB3 PHE 9 2HB PHE 9 -10.784 15.704 20.787 41 HD1 PHE 9 1HD PHE 9 -9.577 14.902 18.799 42 HD2 PHE 9 2HD PHE 9 -10.944 18.920 19.127 43 HE1 PHE 9 1HE PHE 9 -8.068 15.561 16.970 44 HE2 PHE 9 2HE PHE 9 -9.439 19.585 17.298 45 HZ PHE 9 HZ PHE 9 -7.999 17.905 16.217 46 HA PRO 10 HA PRO 10 -15.109 17.956 17.017 47 HB2 PRO 10 1HB PRO 10 -16.168 20.083 18.330 48 HB3 PRO 10 2HB PRO 10 -16.871 18.463 18.402 49 HG2 PRO 10 1HG PRO 10 -15.092 19.846 20.374 50 HG3 PRO 10 2HG PRO 10 -16.538 18.862 20.669 51 HD2 PRO 10 1HD PRO 10 -14.028 17.891 20.970 52 HD3 PRO 10 2HD PRO 10 -15.387 16.878 20.442 53 H ALA 11 H ALA 11 -14.176 19.217 15.540 54 HA ALA 11 HA ALA 11 -12.400 21.384 16.460 55 HB1 ALA 11 1HB ALA 11 -11.835 19.169 14.765 56 HB2 ALA 11 2HB ALA 11 -11.717 20.650 13.814 57 HB3 ALA 11 3HB ALA 11 -10.759 20.468 15.284 58 H ARG 12 H ARG 12 -13.681 23.149 16.281 59 HA ARG 12 HA ARG 12 -15.383 23.511 13.958 60 HB2 ARG 12 1HB ARG 12 -14.915 25.144 16.450 61 HB3 ARG 12 2HB ARG 12 -15.933 25.701 15.129 62 HG2 ARG 12 1HG ARG 12 -17.548 24.091 15.520 63 HG3 ARG 12 2HG ARG 12 -16.431 23.040 16.392 64 HD2 ARG 12 1HD ARG 12 -17.736 23.925 18.092 65 HD3 ARG 12 2HD ARG 12 -16.318 24.972 18.103 66 HE ARG 12 HE ARG 12 -18.511 25.910 16.474 67 HH11 ARG 12 1HH1 ARG 12 -17.006 25.938 19.613 68 HH12 ARG 12 2HH1 ARG 12 -17.744 27.429 20.098 69 HH21 ARG 12 1HH2 ARG 12 -19.489 27.873 17.101 70 HH22 ARG 12 2HH2 ARG 12 -19.157 28.528 18.668 71 H VAL 13 H VAL 13 -12.727 23.362 13.222 72 HA VAL 13 HA VAL 13 -12.384 25.935 11.948 73 HB VAL 13 HB VAL 13 -10.210 24.840 13.739 74 HG11 VAL 13 1HG1 VAL 13 -10.159 26.661 11.465 75 HG12 VAL 13 2HG1 VAL 13 -9.449 27.352 12.925 76 HG13 VAL 13 3HG1 VAL 13 -8.836 25.829 12.280 77 HG21 VAL 13 1HG2 VAL 13 -11.887 27.340 13.927 78 HG22 VAL 13 2HG2 VAL 13 -11.909 25.964 15.030 79 HG23 VAL 13 3HG2 VAL 13 -10.482 26.995 14.935 80 H LYS 14 H LYS 14 -11.324 25.794 10.018 81 HA LYS 14 HA LYS 14 -10.404 23.106 9.240 82 HB2 LYS 14 1HB LYS 14 -10.956 23.763 6.924 83 HB3 LYS 14 2HB LYS 14 -12.358 23.811 7.985 84 HG2 LYS 14 1HG LYS 14 -12.656 25.778 6.897 85 HG3 LYS 14 2HG LYS 14 -11.637 26.345 8.222 86 HD2 LYS 14 1HD LYS 14 -9.666 26.168 6.794 87 HD3 LYS 14 2HD LYS 14 -10.666 25.561 5.473 88 HE2 LYS 14 1HE LYS 14 -11.236 28.206 6.763 89 HE3 LYS 14 2HE LYS 14 -10.024 28.057 5.492 90 HZ1 LYS 14 1HZ LYS 14 -11.616 28.049 3.973 91 HZ2 LYS 14 2HZ LYS 14 -12.762 28.332 5.184 92 HZ3 LYS 14 3HZ LYS 14 -12.402 26.747 4.715 93 H VAL 15 H VAL 15 -8.642 23.002 7.682 94 HA VAL 15 HA VAL 15 -6.992 25.336 7.294 95 HB VAL 15 HB VAL 15 -5.966 23.066 9.004 96 HG11 VAL 15 1HG1 VAL 15 -4.469 24.355 7.220 97 HG12 VAL 15 2HG1 VAL 15 -4.381 25.527 8.536 98 HG13 VAL 15 3HG1 VAL 15 -3.849 23.865 8.796 99 HG21 VAL 15 1HG2 VAL 15 -6.637 25.935 9.613 100 HG22 VAL 15 2HG2 VAL 15 -7.288 24.480 10.367 101 HG23 VAL 15 3HG2 VAL 15 -5.612 24.949 10.656 102 H GLU 16 H GLU 16 -6.402 25.147 5.243 103 HA GLU 16 HA GLU 16 -6.520 22.804 3.730 104 HB2 GLU 16 1HB GLU 16 -5.453 24.037 1.974 105 HB3 GLU 16 2HB GLU 16 -6.528 25.136 2.827 106 HG2 GLU 16 1HG GLU 16 -4.361 25.708 4.182 107 HG3 GLU 16 2HG GLU 16 -3.556 25.067 2.751 108 HA PRO 17 HA PRO 17 -2.816 20.617 4.606 109 HB2 PRO 17 1HB PRO 17 -2.329 19.459 2.199 110 HB3 PRO 17 2HB PRO 17 -3.639 18.941 3.266 111 HG2 PRO 17 1HG PRO 17 -3.744 20.731 0.869 112 HG3 PRO 17 2HG PRO 17 -4.852 19.430 1.343 113 HD2 PRO 17 1HD PRO 17 -5.408 22.045 1.771 114 HD3 PRO 17 2HD PRO 17 -5.964 20.760 2.862 115 H ALA 18 H ALA 18 -0.688 21.058 4.675 116 HA ALA 18 HA ALA 18 0.330 23.230 3.047 117 HB1 ALA 18 1HB ALA 18 2.200 23.267 4.527 118 HB2 ALA 18 2HB ALA 18 0.747 23.068 5.507 119 HB3 ALA 18 3HB ALA 18 1.787 21.681 5.180 120 H VAL 19 H VAL 19 -0.208 20.421 2.008 121 HA VAL 19 HA VAL 19 2.243 20.225 0.464 122 HB VAL 19 HB VAL 19 2.522 18.732 2.495 123 HG11 VAL 19 1HG1 VAL 19 0.975 17.231 3.028 124 HG12 VAL 19 2HG1 VAL 19 -0.042 17.879 1.739 125 HG13 VAL 19 3HG1 VAL 19 1.042 16.526 1.414 126 HG21 VAL 19 1HG2 VAL 19 3.253 16.753 1.051 127 HG22 VAL 19 2HG2 VAL 19 2.659 17.691 -0.319 128 HG23 VAL 19 3HG2 VAL 19 3.960 18.327 0.686 129 H ASP 20 H ASP 20 2.004 19.046 -1.483 130 HA ASP 20 HA ASP 20 -0.670 19.101 -2.531 131 HB2 ASP 20 1HB ASP 20 1.988 18.319 -3.732 132 HB3 ASP 20 2HB ASP 20 0.474 18.258 -4.630 133 H THR 21 H THR 21 1.792 16.529 -2.290 134 HA THR 21 HA THR 21 1.529 14.243 -2.528 135 HB THR 21 HB THR 21 -0.027 13.374 -0.653 136 HG1 THR 21 1HG THR 21 -1.199 14.871 0.260 137 HG21 THR 21 1HG2 THR 21 1.699 14.680 1.025 138 HG22 THR 21 2HG2 THR 21 2.541 14.774 -0.522 139 HG23 THR 21 3HG2 THR 21 2.071 13.206 0.133 140 H SER 22 H SER 22 0.107 15.298 -4.563 141 HA SER 22 HA SER 22 -2.364 13.692 -4.563 142 HB2 SER 22 1HB SER 22 -2.841 16.130 -4.553 143 HB3 SER 22 2HB SER 22 -1.916 16.295 -6.046 144 HG SER 22 HG SER 22 -4.250 14.716 -5.689 145 H ARG 23 H ARG 23 0.675 14.026 -5.818 146 HA ARG 23 HA ARG 23 -0.075 12.570 -8.266 147 HB2 ARG 23 1HB ARG 23 1.945 14.757 -7.876 148 HB3 ARG 23 2HB ARG 23 2.140 13.581 -9.168 149 HG2 ARG 23 1HG ARG 23 0.025 14.228 -10.133 150 HG3 ARG 23 2HG ARG 23 -0.281 15.329 -8.788 151 HD2 ARG 23 1HD ARG 23 0.540 16.805 -10.326 152 HD3 ARG 23 2HD ARG 23 2.040 16.332 -9.529 153 HE ARG 23 HE ARG 23 1.559 14.609 -11.697 154 HH11 ARG 23 1HH1 ARG 23 2.441 17.909 -11.028 155 HH12 ARG 23 2HH1 ARG 23 3.332 18.107 -12.500 156 HH21 ARG 23 1HH2 ARG 23 2.729 14.856 -13.639 157 HH22 ARG 23 2HH2 ARG 23 3.494 16.370 -13.985 158 H ILE 24 H ILE 24 0.668 11.597 -5.586 159 HA ILE 24 HA ILE 24 3.341 10.547 -5.822 160 HB ILE 24 HB ILE 24 1.143 9.951 -3.841 161 HG12 ILE 24 1HG1 ILE 24 3.592 11.709 -3.782 162 HG13 ILE 24 2HG1 ILE 24 1.915 12.176 -3.526 163 HG21 ILE 24 1HG2 ILE 24 3.266 8.313 -4.431 164 HG22 ILE 24 2HG2 ILE 24 3.867 9.263 -3.073 165 HG23 ILE 24 3HG2 ILE 24 2.375 8.337 -2.909 166 HD11 ILE 24 1HD1 ILE 24 3.837 11.510 -1.600 167 HD12 ILE 24 2HD1 ILE 24 2.126 11.861 -1.351 168 HD13 ILE 24 3HD1 ILE 24 2.657 10.199 -1.603 169 H LYS 25 H LYS 25 3.915 8.745 -6.831 170 HA LYS 25 HA LYS 25 1.816 6.793 -7.516 171 HB2 LYS 25 1HB LYS 25 4.266 7.710 -8.987 172 HB3 LYS 25 2HB LYS 25 3.574 6.127 -9.318 173 HG2 LYS 25 1HG LYS 25 1.888 8.600 -9.413 174 HG3 LYS 25 2HG LYS 25 2.873 8.105 -10.791 175 HD2 LYS 25 1HD LYS 25 1.733 5.816 -10.521 176 HD3 LYS 25 2HD LYS 25 0.562 6.674 -9.517 177 HE2 LYS 25 1HE LYS 25 -0.408 6.738 -11.626 178 HE3 LYS 25 2HE LYS 25 0.391 8.305 -11.509 179 HZ1 LYS 25 1HZ LYS 25 0.715 6.441 -13.498 180 HZ2 LYS 25 2HZ LYS 25 2.134 6.330 -12.584 181 HZ3 LYS 25 3HZ LYS 25 1.666 7.817 -13.241 182 H VAL 26 H VAL 26 1.971 4.825 -6.667 183 HA VAL 26 HA VAL 26 4.567 3.989 -5.546 184 HB VAL 26 HB VAL 26 3.350 2.683 -3.877 185 HG11 VAL 26 1HG1 VAL 26 2.948 4.433 -2.446 186 HG12 VAL 26 2HG1 VAL 26 3.890 5.245 -3.698 187 HG13 VAL 26 3HG1 VAL 26 2.132 5.396 -3.678 188 HG21 VAL 26 1HG2 VAL 26 1.049 3.479 -5.528 189 HG22 VAL 26 2HG2 VAL 26 1.294 2.040 -4.538 190 HG23 VAL 26 3HG2 VAL 26 0.789 3.552 -3.785 191 H PHE 27 H PHE 27 5.453 2.304 -6.526 192 HA PHE 27 HA PHE 27 3.684 0.326 -7.805 193 HB2 PHE 27 1HB PHE 27 5.705 0.005 -9.401 194 HB3 PHE 27 2HB PHE 27 4.642 1.386 -9.650 195 HD1 PHE 27 1HD PHE 27 5.369 3.643 -8.970 196 HD2 PHE 27 2HD PHE 27 7.980 0.286 -8.789 197 HE1 PHE 27 1HE PHE 27 7.301 5.158 -8.819 198 HE2 PHE 27 2HE PHE 27 9.916 1.796 -8.637 199 HZ PHE 27 HZ PHE 27 9.578 4.236 -8.651 200 H GLY 28 H GLY 28 4.554 -1.845 -7.954 201 HA2 GLY 28 1HA GLY 28 6.550 -3.243 -7.297 202 HA3 GLY 28 2HA GLY 28 6.449 -2.402 -5.758 203 HA PRO 29 HA PRO 29 3.776 -6.344 -5.929 204 HB2 PRO 29 1HB PRO 29 5.378 -7.980 -4.470 205 HB3 PRO 29 2HB PRO 29 5.468 -7.869 -6.232 206 HG2 PRO 29 1HG PRO 29 7.192 -6.564 -4.162 207 HG3 PRO 29 2HG PRO 29 7.666 -7.347 -5.681 208 HD2 PRO 29 1HD PRO 29 7.478 -4.658 -5.425 209 HD3 PRO 29 2HD PRO 29 7.126 -5.499 -6.948 210 H GLY 30 H GLY 30 5.836 -5.009 -3.365 211 HA2 GLY 30 1HA GLY 30 4.468 -5.927 -1.133 212 HA3 GLY 30 2HA GLY 30 5.353 -4.410 -1.201 213 H ILE 31 H ILE 31 3.521 -3.496 -3.414 214 HA ILE 31 HA ILE 31 1.267 -2.742 -1.675 215 HB ILE 31 HB ILE 31 2.806 -0.903 -2.449 216 HG12 ILE 31 1HG1 ILE 31 0.888 0.585 -3.188 217 HG13 ILE 31 2HG1 ILE 31 -0.124 -0.855 -3.183 218 HG21 ILE 31 1HG2 ILE 31 3.173 -1.833 -4.718 219 HG22 ILE 31 2HG2 ILE 31 1.514 -1.401 -5.126 220 HG23 ILE 31 3HG2 ILE 31 2.681 -0.140 -4.727 221 HD11 ILE 31 1HD1 ILE 31 -0.580 -0.163 -1.096 222 HD12 ILE 31 2HD1 ILE 31 0.914 -1.020 -0.718 223 HD13 ILE 31 3HD1 ILE 31 0.933 0.729 -0.942 224 H GLU 32 H GLU 32 2.187 -4.079 -4.747 225 HA GLU 32 HA GLU 32 -0.465 -3.936 -5.874 226 HB2 GLU 32 1HB GLU 32 2.049 -5.348 -6.774 227 HB3 GLU 32 2HB GLU 32 0.540 -5.371 -7.675 228 HG2 GLU 32 1HG GLU 32 1.708 -2.746 -6.912 229 HG3 GLU 32 2HG GLU 32 2.436 -3.652 -8.237 230 H GLY 33 H GLY 33 1.662 -6.550 -4.712 231 HA2 GLY 33 1HA GLY 33 0.739 -8.268 -3.268 232 HA3 GLY 33 2HA GLY 33 -0.770 -8.125 -4.156 233 H LYS 34 H LYS 34 2.545 -8.403 -5.384 234 HA LYS 34 HA LYS 34 1.681 -10.667 -7.019 235 HB2 LYS 34 1HB LYS 34 4.353 -9.284 -7.159 236 HB3 LYS 34 2HB LYS 34 3.560 -10.246 -8.400 237 HG2 LYS 34 1HG LYS 34 2.633 -7.555 -7.415 238 HG3 LYS 34 2HG LYS 34 3.510 -7.859 -8.916 239 HD2 LYS 34 1HD LYS 34 0.963 -9.323 -8.373 240 HD3 LYS 34 2HD LYS 34 0.903 -7.649 -8.930 241 HE2 LYS 34 1HE LYS 34 0.823 -8.844 -10.912 242 HE3 LYS 34 2HE LYS 34 2.536 -8.456 -10.767 243 HZ1 LYS 34 1HZ LYS 34 1.839 -10.849 -11.348 244 HZ2 LYS 34 2HZ LYS 34 1.498 -10.997 -9.699 245 HZ3 LYS 34 3HZ LYS 34 3.066 -10.616 -10.206 246 H ASP 35 H ASP 35 4.763 -9.892 -5.407 247 HA ASP 35 HA ASP 35 4.990 -12.725 -4.666 248 HB2 ASP 35 1HB ASP 35 7.171 -10.632 -4.656 249 HB3 ASP 35 2HB ASP 35 7.368 -12.376 -4.503 250 H VAL 36 H VAL 36 3.333 -10.837 -3.205 251 HA VAL 36 HA VAL 36 4.785 -10.299 -0.745 252 HB VAL 36 HB VAL 36 1.835 -9.899 -1.214 253 HG11 VAL 36 1HG1 VAL 36 2.637 -7.906 0.412 254 HG12 VAL 36 2HG1 VAL 36 2.043 -9.463 0.991 255 HG13 VAL 36 3HG1 VAL 36 3.778 -9.167 0.877 256 HG21 VAL 36 1HG2 VAL 36 2.617 -7.473 -1.661 257 HG22 VAL 36 2HG2 VAL 36 4.164 -8.219 -2.063 258 HG23 VAL 36 3HG2 VAL 36 2.713 -8.655 -2.967 259 H PHE 37 H PHE 37 3.911 -13.059 -1.883 260 HA PHE 37 HA PHE 37 2.018 -14.333 -0.423 261 HB2 PHE 37 1HB PHE 37 4.725 -15.606 -0.733 262 HB3 PHE 37 2HB PHE 37 3.136 -16.356 -0.843 263 HD1 PHE 37 1HD PHE 37 1.629 -15.084 -2.758 264 HD2 PHE 37 2HD PHE 37 5.862 -15.521 -2.710 265 HE1 PHE 37 1HE PHE 37 1.679 -14.835 -5.205 266 HE2 PHE 37 2HE PHE 37 5.919 -15.272 -5.157 267 HZ PHE 37 HZ PHE 37 3.826 -14.927 -6.408 268 H ARG 38 H ARG 38 2.117 -15.691 1.504 269 HA ARG 38 HA ARG 38 2.853 -14.305 3.788 270 HB2 ARG 38 1HB ARG 38 1.298 -16.390 3.434 271 HB3 ARG 38 2HB ARG 38 2.754 -17.296 3.824 272 HG2 ARG 38 1HG ARG 38 2.855 -16.430 5.990 273 HG3 ARG 38 2HG ARG 38 1.755 -15.105 5.606 274 HD2 ARG 38 1HD ARG 38 -0.115 -16.471 5.663 275 HD3 ARG 38 2HD ARG 38 0.825 -17.937 5.386 276 HE ARG 38 HE ARG 38 0.298 -16.658 7.916 277 HH11 ARG 38 1HH1 ARG 38 2.346 -18.858 6.160 278 HH12 ARG 38 2HH1 ARG 38 2.889 -19.691 7.579 279 HH21 ARG 38 1HH2 ARG 38 1.006 -17.746 9.792 280 HH22 ARG 38 2HH2 ARG 38 2.126 -19.058 9.644 281 H GLU 39 H GLU 39 4.645 -14.166 5.019 282 HA GLU 39 HA GLU 39 6.821 -14.339 5.659 283 HB2 GLU 39 1HB GLU 39 6.505 -17.121 4.521 284 HB3 GLU 39 2HB GLU 39 7.904 -16.579 5.439 285 HG2 GLU 39 1HG GLU 39 5.071 -16.742 6.440 286 HG3 GLU 39 2HG GLU 39 6.391 -17.838 6.844 287 H ALA 40 H ALA 40 6.255 -13.157 3.150 288 HA ALA 40 HA ALA 40 8.712 -13.829 1.666 289 HB1 ALA 40 1HB ALA 40 6.174 -12.732 0.466 290 HB2 ALA 40 2HB ALA 40 7.627 -13.243 -0.394 291 HB3 ALA 40 3HB ALA 40 6.635 -14.435 0.447 292 H THR 41 H THR 41 10.122 -12.219 1.334 293 HA THR 41 HA THR 41 9.668 -9.675 2.574 294 HB THR 41 HB THR 41 11.991 -10.493 0.820 295 HG1 THR 41 1HG THR 41 12.871 -10.706 3.150 296 HG21 THR 41 1HG2 THR 41 11.313 -8.023 1.949 297 HG22 THR 41 2HG2 THR 41 12.870 -8.491 1.264 298 HG23 THR 41 3HG2 THR 41 12.572 -8.685 2.991 299 H THR 42 H THR 42 8.210 -8.403 1.561 300 HA THR 42 HA THR 42 8.725 -7.765 -1.271 301 HB THR 42 HB THR 42 6.593 -9.004 -0.949 302 HG1 THR 42 1HG THR 42 6.723 -6.386 -1.954 303 HG21 THR 42 1HG2 THR 42 5.795 -8.390 1.160 304 HG22 THR 42 2HG2 THR 42 4.712 -7.549 0.050 305 HG23 THR 42 3HG2 THR 42 6.016 -6.669 0.846 306 H ASP 43 H ASP 43 8.573 -5.617 -1.903 307 HA ASP 43 HA ASP 43 7.893 -3.590 0.062 308 HB2 ASP 43 1HB ASP 43 10.007 -2.432 -0.050 309 HB3 ASP 43 2HB ASP 43 10.306 -4.094 0.448 310 H PHE 44 H PHE 44 7.695 -1.458 -0.861 311 HA PHE 44 HA PHE 44 7.413 -1.492 -3.794 312 HB2 PHE 44 1HB PHE 44 5.487 0.041 -3.527 313 HB3 PHE 44 2HB PHE 44 5.209 -1.522 -2.765 314 HD1 PHE 44 1HD PHE 44 5.913 2.032 -2.162 315 HD2 PHE 44 2HD PHE 44 4.934 -1.718 -0.404 316 HE1 PHE 44 1HE PHE 44 5.380 3.168 -0.046 317 HE2 PHE 44 2HE PHE 44 4.398 -0.589 1.715 318 HZ PHE 44 HZ PHE 44 4.620 1.857 1.896 319 H THR 45 H THR 45 7.168 0.894 -4.603 320 HA THR 45 HA THR 45 9.191 2.549 -3.240 321 HB THR 45 HB THR 45 8.853 2.320 -6.236 322 HG1 THR 45 1HG THR 45 11.137 1.431 -4.854 323 HG21 THR 45 1HG2 THR 45 9.980 4.250 -6.244 324 HG22 THR 45 2HG2 THR 45 11.360 3.353 -5.611 325 HG23 THR 45 3HG2 THR 45 10.257 4.171 -4.505 326 H VAL 46 H VAL 46 8.649 4.614 -2.877 327 HA VAL 46 HA VAL 46 6.113 5.576 -4.018 328 HB VAL 46 HB VAL 46 7.559 6.513 -1.535 329 HG11 VAL 46 1HG1 VAL 46 4.818 7.272 -2.534 330 HG12 VAL 46 2HG1 VAL 46 5.646 7.901 -1.108 331 HG13 VAL 46 3HG1 VAL 46 6.259 8.271 -2.720 332 HG21 VAL 46 1HG2 VAL 46 4.910 5.109 -1.623 333 HG22 VAL 46 2HG2 VAL 46 6.424 4.207 -1.552 334 HG23 VAL 46 3HG2 VAL 46 6.004 5.329 -0.257 335 H ASP 47 H ASP 47 6.665 6.608 -5.870 336 HA ASP 47 HA ASP 47 8.932 8.433 -5.904 337 HB2 ASP 47 1HB ASP 47 8.102 6.772 -7.801 338 HB3 ASP 47 2HB ASP 47 7.089 8.146 -8.233 339 H SER 48 H SER 48 8.745 10.525 -5.487 340 HA SER 48 HA SER 48 6.129 11.817 -5.892 341 HB2 SER 48 1HB SER 48 8.039 12.585 -3.687 342 HB3 SER 48 2HB SER 48 6.346 13.043 -3.871 343 HG SER 48 HG SER 48 7.152 10.352 -3.549 344 H ARG 49 H ARG 49 6.166 13.556 -7.157 345 HA ARG 49 HA ARG 49 8.757 14.611 -7.999 346 HB2 ARG 49 1HB ARG 49 7.576 14.242 -9.926 347 HB3 ARG 49 2HB ARG 49 6.022 14.544 -9.160 348 HG2 ARG 49 1HG ARG 49 6.591 16.970 -9.123 349 HG3 ARG 49 2HG ARG 49 8.032 16.589 -10.069 350 HD2 ARG 49 1HD ARG 49 6.239 15.371 -11.599 351 HD3 ARG 49 2HD ARG 49 5.169 16.561 -10.859 352 HE ARG 49 HE ARG 49 6.251 18.233 -12.025 353 HH11 ARG 49 1HH1 ARG 49 7.975 15.227 -12.357 354 HH12 ARG 49 2HH1 ARG 49 9.007 15.808 -13.622 355 HH21 ARG 49 1HH2 ARG 49 7.603 19.010 -13.689 356 HH22 ARG 49 2HH2 ARG 49 8.795 17.960 -14.378 357 HA PRO 50 HA PRO 50 6.540 18.698 -6.764 358 HB2 PRO 50 1HB PRO 50 4.030 18.535 -5.744 359 HB3 PRO 50 2HB PRO 50 4.355 18.674 -7.475 360 HG2 PRO 50 1HG PRO 50 3.718 16.237 -5.858 361 HG3 PRO 50 2HG PRO 50 3.108 16.712 -7.454 362 HD2 PRO 50 1HD PRO 50 5.081 14.885 -7.133 363 HD3 PRO 50 2HD PRO 50 5.001 15.967 -8.538 364 H LEU 51 H LEU 51 7.204 16.071 -5.031 365 HA LEU 51 HA LEU 51 6.756 17.375 -2.429 366 HB2 LEU 51 1HB LEU 51 7.354 14.464 -2.907 367 HB3 LEU 51 2HB LEU 51 6.834 15.221 -1.403 368 HG LEU 51 HG LEU 51 5.203 14.670 -3.870 369 HD11 LEU 51 1HD1 LEU 51 5.592 12.943 -2.025 370 HD12 LEU 51 2HD1 LEU 51 3.926 13.277 -2.498 371 HD13 LEU 51 3HD1 LEU 51 4.581 13.980 -1.018 372 HD21 LEU 51 1HD2 LEU 51 3.440 15.974 -3.053 373 HD22 LEU 51 2HD2 LEU 51 4.862 17.002 -2.880 374 HD23 LEU 51 3HD2 LEU 51 4.198 16.171 -1.473 375 H THR 52 H THR 52 9.086 15.272 -4.121 376 HA THR 52 HA THR 52 11.315 16.887 -3.526 377 HB THR 52 HB THR 52 10.934 16.087 -1.223 378 HG1 THR 52 1HG THR 52 13.058 15.699 -0.900 379 HG21 THR 52 1HG2 THR 52 11.094 13.799 -0.616 380 HG22 THR 52 2HG2 THR 52 11.617 13.333 -2.235 381 HG23 THR 52 3HG2 THR 52 9.960 13.869 -1.963 382 H GLN 53 H GLN 53 13.120 16.234 -4.641 383 HA GLN 53 HA GLN 53 12.926 13.650 -6.044 384 HB2 GLN 53 1HB GLN 53 13.758 16.349 -7.085 385 HB3 GLN 53 2HB GLN 53 14.234 14.861 -7.892 386 HG2 GLN 53 1HG GLN 53 12.261 15.853 -8.917 387 HG3 GLN 53 2HG GLN 53 11.908 14.269 -8.228 388 HE21 GLN 53 1HE2 GLN 53 11.552 17.725 -7.777 389 HE22 GLN 53 2HE2 GLN 53 10.191 17.639 -6.717 390 H VAL 54 H VAL 54 14.427 14.829 -3.593 391 HA VAL 54 HA VAL 54 17.079 13.812 -4.385 392 HB VAL 54 HB VAL 54 18.057 15.298 -2.650 393 HG11 VAL 54 1HG1 VAL 54 18.434 16.270 -4.661 394 HG12 VAL 54 2HG1 VAL 54 16.728 16.256 -5.112 395 HG13 VAL 54 3HG1 VAL 54 17.339 17.488 -4.007 396 HG21 VAL 54 1HG2 VAL 54 15.844 17.161 -2.557 397 HG22 VAL 54 2HG2 VAL 54 15.420 15.607 -1.840 398 HG23 VAL 54 3HG2 VAL 54 16.817 16.502 -1.242 399 H GLY 55 H GLY 55 14.424 13.632 -2.228 400 HA2 GLY 55 1HA GLY 55 14.441 11.357 -1.095 401 HA3 GLY 55 2HA GLY 55 15.965 11.895 -0.406 402 H GLY 56 H GLY 56 14.521 11.246 1.533 403 HA2 GLY 56 1HA GLY 56 14.050 13.428 3.123 404 HA3 GLY 56 2HA GLY 56 12.510 13.128 2.330 405 H ASP 57 H ASP 57 12.550 12.986 5.007 406 HA ASP 57 HA ASP 57 12.229 10.106 5.488 407 HB2 ASP 57 1HB ASP 57 14.372 10.928 6.500 408 HB3 ASP 57 2HB ASP 57 13.421 12.015 7.507 409 H HIS 58 H HIS 58 10.204 11.880 4.769 410 HA HIS 58 HA HIS 58 8.726 12.223 7.294 411 HB2 HIS 58 1HB HIS 58 8.794 13.814 4.773 412 HB3 HIS 58 2HB HIS 58 7.275 13.736 5.660 413 HD1 HIS 58 1HD HIS 58 7.543 16.305 6.138 414 HD2 HIS 58 2HD HIS 58 10.466 13.889 7.835 415 HE1 HIS 58 1HE HIS 58 8.698 17.746 7.846 416 H ILE 59 H ILE 59 8.969 9.756 5.768 417 HA ILE 59 HA ILE 59 6.184 9.424 4.863 418 HB ILE 59 HB ILE 59 8.637 7.824 4.126 419 HG12 ILE 59 1HG1 ILE 59 8.551 9.926 2.942 420 HG13 ILE 59 2HG1 ILE 59 8.086 8.643 1.829 421 HG21 ILE 59 1HG2 ILE 59 6.627 6.414 4.376 422 HG22 ILE 59 2HG2 ILE 59 5.793 7.435 3.205 423 HG23 ILE 59 3HG2 ILE 59 7.200 6.494 2.710 424 HD11 ILE 59 1HD1 ILE 59 6.605 10.964 2.708 425 HD12 ILE 59 2HD1 ILE 59 6.327 9.895 1.333 426 HD13 ILE 59 3HD1 ILE 59 5.690 9.472 2.922 427 H LYS 60 H LYS 60 4.932 7.821 5.717 428 HA LYS 60 HA LYS 60 6.104 5.906 7.572 429 HB2 LYS 60 1HB LYS 60 5.341 8.117 8.745 430 HB3 LYS 60 2HB LYS 60 3.725 7.464 8.518 431 HG2 LYS 60 1HG LYS 60 5.777 5.707 9.748 432 HG3 LYS 60 2HG LYS 60 5.111 7.024 10.717 433 HD2 LYS 60 1HD LYS 60 2.831 6.185 10.182 434 HD3 LYS 60 2HD LYS 60 3.573 4.809 9.362 435 HE2 LYS 60 1HE LYS 60 4.157 5.494 12.232 436 HE3 LYS 60 2HE LYS 60 2.820 4.446 11.762 437 HZ1 LYS 60 1HZ LYS 60 4.271 2.844 10.935 438 HZ2 LYS 60 2HZ LYS 60 5.021 3.355 12.363 439 HZ3 LYS 60 3HZ LYS 60 5.584 3.909 10.867 440 H ALA 61 H ALA 61 4.926 4.029 7.792 441 HA ALA 61 HA ALA 61 2.314 3.881 6.472 442 HB1 ALA 61 1HB ALA 61 4.684 2.911 5.313 443 HB2 ALA 61 2HB ALA 61 3.787 1.500 5.874 444 HB3 ALA 61 3HB ALA 61 3.026 2.647 4.772 445 H HIS 62 H HIS 62 1.084 1.966 7.045 446 HA HIS 62 HA HIS 62 2.024 0.370 9.273 447 HB2 HIS 62 1HB HIS 62 1.038 2.533 10.213 448 HB3 HIS 62 2HB HIS 62 -0.519 1.950 9.632 449 HD1 HIS 62 1HD HIS 62 1.646 1.844 12.512 450 HD2 HIS 62 2HD HIS 62 -1.197 -0.679 10.834 451 HE1 HIS 62 1HE HIS 62 1.005 0.242 14.341 452 H ILE 63 H ILE 63 1.586 -1.596 8.518 453 HA ILE 63 HA ILE 63 -0.683 -2.096 6.808 454 HB ILE 63 HB ILE 63 1.350 -4.002 7.974 455 HG12 ILE 63 1HG1 ILE 63 1.181 -3.250 5.085 456 HG13 ILE 63 2HG1 ILE 63 1.940 -2.127 6.209 457 HG21 ILE 63 1HG2 ILE 63 -0.518 -4.553 5.687 458 HG22 ILE 63 2HG2 ILE 63 0.488 -5.691 6.580 459 HG23 ILE 63 3HG2 ILE 63 -0.918 -4.962 7.355 460 HD11 ILE 63 1HD1 ILE 63 3.808 -3.308 6.204 461 HD12 ILE 63 2HD1 ILE 63 2.940 -4.785 6.623 462 HD13 ILE 63 3HD1 ILE 63 3.109 -4.310 4.933 463 H ALA 64 H ALA 64 -2.478 -3.341 7.268 464 HA ALA 64 HA ALA 64 -2.865 -4.107 10.085 465 HB1 ALA 64 1HB ALA 64 -4.086 -1.951 9.029 466 HB2 ALA 64 2HB ALA 64 -5.262 -3.203 8.629 467 HB3 ALA 64 3HB ALA 64 -4.785 -2.945 10.307 468 H ASN 65 H ASN 65 -3.029 -6.249 10.128 469 HA ASN 65 HA ASN 65 -3.710 -7.849 7.905 470 HB2 ASN 65 1HB ASN 65 -3.521 -8.449 10.857 471 HB3 ASN 65 2HB ASN 65 -3.896 -9.684 9.659 472 HD21 ASN 65 1HD2 ASN 65 -1.710 -9.943 11.252 473 HD22 ASN 65 2HD2 ASN 65 -0.271 -9.740 10.319 474 HA PRO 66 HA PRO 66 -8.099 -7.946 7.954 475 HB2 PRO 66 1HB PRO 66 -8.570 -10.483 7.111 476 HB3 PRO 66 2HB PRO 66 -7.970 -9.211 6.040 477 HG2 PRO 66 1HG PRO 66 -6.457 -11.391 7.427 478 HG3 PRO 66 2HG PRO 66 -6.293 -10.799 5.763 479 HD2 PRO 66 1HD PRO 66 -4.598 -10.066 7.743 480 HD3 PRO 66 2HD PRO 66 -5.021 -8.985 6.400 481 H SER 67 H SER 67 -6.258 -9.668 10.140 482 HA SER 67 HA SER 67 -8.599 -10.857 11.458 483 HB2 SER 67 1HB SER 67 -5.667 -11.459 11.518 484 HB3 SER 67 2HB SER 67 -6.655 -11.879 12.918 485 HG SER 67 HG SER 67 -6.485 -13.566 11.323 486 H GLY 68 H GLY 68 -6.154 -8.416 11.759 487 HA2 GLY 68 1HA GLY 68 -7.068 -6.585 13.300 488 HA3 GLY 68 2HA GLY 68 -7.025 -7.851 14.518 489 H ALA 69 H ALA 69 -4.521 -8.944 13.272 490 HA ALA 69 HA ALA 69 -2.679 -7.499 14.892 491 HB1 ALA 69 1HB ALA 69 -1.102 -9.066 13.318 492 HB2 ALA 69 2HB ALA 69 -1.883 -9.592 14.810 493 HB3 ALA 69 3HB ALA 69 -2.642 -9.925 13.253 494 H SER 70 H SER 70 -0.467 -6.889 13.892 495 HA SER 70 HA SER 70 -0.789 -5.548 11.308 496 HB2 SER 70 1HB SER 70 0.320 -4.139 13.744 497 HB3 SER 70 2HB SER 70 0.055 -3.446 12.144 498 HG SER 70 HG SER 70 -1.943 -4.409 13.917 499 H THR 71 H THR 71 1.039 -5.454 10.089 500 HA THR 71 HA THR 71 3.335 -6.951 11.094 501 HB THR 71 HB THR 71 2.837 -5.967 8.280 502 HG1 THR 71 1HG THR 71 1.344 -7.479 8.338 503 HG21 THR 71 1HG2 THR 71 5.015 -6.547 8.127 504 HG22 THR 71 2HG2 THR 71 4.375 -8.189 8.077 505 HG23 THR 71 3HG2 THR 71 4.966 -7.518 9.597 506 H GLU 72 H GLU 72 5.462 -6.178 10.998 507 HA GLU 72 HA GLU 72 5.715 -3.352 11.456 508 HB2 GLU 72 1HB GLU 72 6.999 -5.328 12.581 509 HB3 GLU 72 2HB GLU 72 8.054 -5.207 11.180 510 HG2 GLU 72 1HG GLU 72 8.779 -3.073 11.755 511 HG3 GLU 72 2HG GLU 72 7.419 -2.803 12.844 512 H CYS 73 H CYS 73 6.334 -1.827 10.063 513 HA CYS 73 HA CYS 73 7.154 -2.676 7.375 514 HB2 CYS 73 1HB CYS 73 6.447 -0.427 6.650 515 HB3 CYS 73 2HB CYS 73 5.141 -1.300 7.445 516 HG CYS 73 HG CYS 73 5.582 0.075 9.920 517 H PHE 74 H PHE 74 8.932 -1.748 6.345 518 HA PHE 74 HA PHE 74 10.780 -0.290 8.117 519 HB2 PHE 74 1HB PHE 74 11.756 -2.049 5.891 520 HB3 PHE 74 2HB PHE 74 12.598 -1.534 7.349 521 HD1 PHE 74 2HD PHE 74 10.823 -2.249 9.493 522 HD2 PHE 74 1HD PHE 74 11.663 -4.344 5.885 523 HE1 PHE 74 2HE PHE 74 10.223 -4.369 10.588 524 HE2 PHE 74 1HE PHE 74 11.064 -6.467 6.974 525 HZ PHE 74 HZ PHE 74 10.344 -6.482 9.329 526 H VAL 75 H VAL 75 10.534 1.766 7.420 527 HA VAL 75 HA VAL 75 10.326 2.396 4.608 528 HB VAL 75 HB VAL 75 10.588 4.234 6.992 529 HG11 VAL 75 1HG1 VAL 75 9.426 5.112 4.404 530 HG12 VAL 75 2HG1 VAL 75 10.313 6.034 5.619 531 HG13 VAL 75 3HG1 VAL 75 11.180 4.967 4.514 532 HG21 VAL 75 1HG2 VAL 75 8.206 4.529 6.840 533 HG22 VAL 75 2HG2 VAL 75 8.126 3.495 5.413 534 HG23 VAL 75 3HG2 VAL 75 8.555 2.806 6.979 535 H THR 76 H THR 76 11.950 2.867 3.280 536 HA THR 76 HA THR 76 14.532 3.685 4.430 537 HB THR 76 HB THR 76 14.197 1.734 2.143 538 HG1 THR 76 1HG THR 76 15.439 1.072 4.572 539 HG21 THR 76 1HG2 THR 76 16.679 1.446 2.495 540 HG22 THR 76 2HG2 THR 76 16.624 2.887 3.510 541 HG23 THR 76 3HG2 THR 76 16.190 2.992 1.804 542 H ASP 77 H ASP 77 15.313 5.492 3.570 543 HA ASP 77 HA ASP 77 14.037 6.577 1.178 544 HB2 ASP 77 1HB ASP 77 14.102 8.183 2.892 545 HB3 ASP 77 2HB ASP 77 15.750 7.760 3.349 546 H ASN 78 H ASN 78 14.944 6.358 -0.748 547 HA ASN 78 HA ASN 78 17.635 5.367 -1.014 548 HB2 ASN 78 1HB ASN 78 15.520 6.113 -3.040 549 HB3 ASN 78 2HB ASN 78 17.111 5.503 -3.483 550 HD21 ASN 78 1HD2 ASN 78 14.020 4.741 -2.139 551 HD22 ASN 78 2HD2 ASN 78 14.217 3.025 -2.120 552 H ALA 79 H ALA 79 16.749 8.265 -0.171 553 HA ALA 79 HA ALA 79 17.492 10.408 -0.445 554 HB1 ALA 79 1HB ALA 79 19.856 10.654 -0.549 555 HB2 ALA 79 2HB ALA 79 19.526 9.168 0.343 556 HB3 ALA 79 3HB ALA 79 20.047 9.089 -1.340 557 H ASP 80 H ASP 80 16.268 9.087 -2.803 558 HA ASP 80 HA ASP 80 17.455 10.802 -4.885 559 HB2 ASP 80 1HB ASP 80 17.673 8.228 -5.143 560 HB3 ASP 80 2HB ASP 80 15.956 8.280 -5.534 561 H GLY 81 H GLY 81 15.102 10.931 -2.861 562 HA2 GLY 81 1HA GLY 81 13.251 12.379 -3.027 563 HA3 GLY 81 2HA GLY 81 13.262 12.157 -4.770 564 H THR 82 H THR 82 13.589 9.153 -3.513 565 HA THR 82 HA THR 82 10.674 8.715 -3.443 566 HB THR 82 HB THR 82 11.035 6.510 -4.452 567 HG1 THR 82 1HG THR 82 12.995 5.729 -4.722 568 HG21 THR 82 1HG2 THR 82 12.400 7.808 -6.559 569 HG22 THR 82 2HG2 THR 82 11.416 9.029 -5.753 570 HG23 THR 82 3HG2 THR 82 10.664 7.562 -6.379 571 H TYR 83 H TYR 83 10.199 6.451 -2.455 572 HA TYR 83 HA TYR 83 11.977 5.925 -0.180 573 HB2 TYR 83 1HB TYR 83 8.979 6.061 0.129 574 HB3 TYR 83 2HB TYR 83 10.195 5.950 1.397 575 HD1 TYR 83 1HD TYR 83 8.648 8.187 -1.090 576 HD2 TYR 83 2HD TYR 83 11.312 7.902 2.216 577 HE1 TYR 83 1HE TYR 83 8.656 10.638 -0.893 578 HE2 TYR 83 2HE TYR 83 11.326 10.352 2.423 579 HH TYR 83 HH TYR 83 9.137 12.360 0.644 580 H GLN 84 H GLN 84 11.771 3.821 0.735 581 HA GLN 84 HA GLN 84 10.266 1.894 -0.895 582 HB2 GLN 84 1HB GLN 84 12.740 2.004 -1.479 583 HB3 GLN 84 2HB GLN 84 13.051 1.355 0.126 584 HG2 GLN 84 1HG GLN 84 13.043 -0.575 -1.063 585 HG3 GLN 84 2HG GLN 84 11.329 -0.478 -0.663 586 HE21 GLN 84 1HE2 GLN 84 10.400 -1.423 -2.368 587 HE22 GLN 84 2HE2 GLN 84 10.585 -0.911 -4.008 588 H VAL 85 H VAL 85 8.858 0.907 0.381 589 HA VAL 85 HA VAL 85 9.559 0.474 3.206 590 HB VAL 85 HB VAL 85 6.830 0.501 1.906 591 HG11 VAL 85 1HG1 VAL 85 7.639 0.214 4.798 592 HG12 VAL 85 2HG1 VAL 85 5.986 0.443 4.224 593 HG13 VAL 85 3HG1 VAL 85 6.877 -1.016 3.790 594 HG21 VAL 85 1HG2 VAL 85 6.788 2.697 2.234 595 HG22 VAL 85 2HG2 VAL 85 7.223 2.490 3.930 596 HG23 VAL 85 3HG2 VAL 85 8.486 2.631 2.707 597 H GLU 86 H GLU 86 10.245 -1.510 3.643 598 HA GLU 86 HA GLU 86 9.157 -3.759 2.088 599 HB2 GLU 86 1HB GLU 86 11.573 -3.513 1.884 600 HB3 GLU 86 2HB GLU 86 11.745 -3.540 3.633 601 HG2 GLU 86 1HG GLU 86 10.828 -5.844 3.635 602 HG3 GLU 86 2HG GLU 86 10.831 -5.801 1.873 603 H TYR 87 H TYR 87 8.116 -5.395 3.085 604 HA TYR 87 HA TYR 87 8.267 -5.698 5.971 605 HB2 TYR 87 1HB TYR 87 5.935 -5.431 6.389 606 HB3 TYR 87 2HB TYR 87 6.450 -4.009 5.489 607 HD1 TYR 87 1HD TYR 87 5.717 -3.653 3.196 608 HD2 TYR 87 2HD TYR 87 4.453 -7.072 5.391 609 HE1 TYR 87 1HE TYR 87 3.959 -4.067 1.527 610 HE2 TYR 87 2HE TYR 87 2.692 -7.496 3.727 611 HH TYR 87 HH TYR 87 2.378 -5.480 0.828 612 H THR 88 H THR 88 7.294 -7.679 6.730 613 HA THR 88 HA THR 88 6.938 -9.678 4.592 614 HB THR 88 HB THR 88 8.068 -10.324 7.309 615 HG1 THR 88 1HG THR 88 9.732 -10.110 5.059 616 HG21 THR 88 1HG2 THR 88 7.074 -12.033 5.577 617 HG22 THR 88 2HG2 THR 88 8.566 -12.400 6.444 618 HG23 THR 88 3HG2 THR 88 8.632 -11.810 4.783 619 HA PRO 89 HA PRO 89 2.977 -9.840 6.779 620 HB2 PRO 89 1HB PRO 89 1.676 -11.104 4.760 621 HB3 PRO 89 2HB PRO 89 1.958 -9.359 4.777 622 HG2 PRO 89 1HG PRO 89 3.469 -11.509 3.342 623 HG3 PRO 89 2HG PRO 89 2.964 -9.913 2.755 624 HD2 PRO 89 1HD PRO 89 5.488 -10.427 3.593 625 HD3 PRO 89 2HD PRO 89 4.720 -8.838 3.791 626 H PHE 90 H PHE 90 2.676 -11.351 8.280 627 HA PHE 90 HA PHE 90 3.523 -14.100 7.748 628 HB2 PHE 90 1HB PHE 90 2.986 -14.292 10.291 629 HB3 PHE 90 2HB PHE 90 4.436 -13.433 9.782 630 HD1 PHE 90 1HD PHE 90 0.988 -13.022 11.011 631 HD2 PHE 90 2HD PHE 90 4.710 -11.121 10.207 632 HE1 PHE 90 1HE PHE 90 0.235 -11.032 12.248 633 HE2 PHE 90 2HE PHE 90 3.964 -9.129 11.442 634 HZ PHE 90 HZ PHE 90 1.724 -9.082 12.465 635 H GLU 91 H GLU 91 0.973 -12.731 6.809 636 HA GLU 91 HA GLU 91 -0.787 -14.948 7.481 637 HB2 GLU 91 1HB GLU 91 -1.286 -12.106 8.247 638 HB3 GLU 91 2HB GLU 91 -2.652 -13.082 7.725 639 HG2 GLU 91 1HG GLU 91 -1.877 -14.784 9.459 640 HG3 GLU 91 2HG GLU 91 -0.862 -13.489 10.093 641 H LYS 92 H LYS 92 -1.954 -15.591 5.775 642 HA LYS 92 HA LYS 92 -1.650 -14.145 3.281 643 HB2 LYS 92 1HB LYS 92 -2.975 -16.174 2.405 644 HB3 LYS 92 2HB LYS 92 -1.340 -16.443 2.993 645 HG2 LYS 92 1HG LYS 92 -2.153 -17.339 5.052 646 HG3 LYS 92 2HG LYS 92 -3.811 -16.886 4.651 647 HD2 LYS 92 1HD LYS 92 -3.308 -18.391 2.525 648 HD3 LYS 92 2HD LYS 92 -2.148 -19.129 3.632 649 HE2 LYS 92 1HE LYS 92 -5.100 -18.778 4.147 650 HE3 LYS 92 2HE LYS 92 -4.313 -20.281 3.669 651 HZ1 LYS 92 1HZ LYS 92 -3.813 -20.686 5.772 652 HZ2 LYS 92 2HZ LYS 92 -4.678 -19.310 6.239 653 HZ3 LYS 92 3HZ LYS 92 -3.019 -19.201 5.931 654 H GLY 93 H GLY 93 -2.954 -12.353 3.348 655 HA2 GLY 93 1HA GLY 93 -5.705 -12.722 2.751 656 HA3 GLY 93 2HA GLY 93 -5.513 -12.152 4.403 657 H LEU 94 H LEU 94 -6.832 -10.363 3.397 658 HA LEU 94 HA LEU 94 -5.203 -8.479 1.858 659 HB2 LEU 94 1HB LEU 94 -7.335 -8.779 0.904 660 HB3 LEU 94 2HB LEU 94 -8.138 -8.658 2.469 661 HG LEU 94 HG LEU 94 -7.522 -6.248 2.531 662 HD11 LEU 94 1HD1 LEU 94 -6.583 -5.143 0.703 663 HD12 LEU 94 2HD1 LEU 94 -6.851 -6.508 -0.380 664 HD13 LEU 94 3HD1 LEU 94 -5.608 -6.604 0.867 665 HD21 LEU 94 1HD2 LEU 94 -9.734 -6.902 1.821 666 HD22 LEU 94 2HD2 LEU 94 -9.159 -7.192 0.179 667 HD23 LEU 94 3HD2 LEU 94 -9.176 -5.553 0.832 668 H HIS 95 H HIS 95 -4.068 -7.025 2.944 669 HA HIS 95 HA HIS 95 -4.996 -6.183 5.600 670 HB2 HIS 95 1HB HIS 95 -2.298 -5.420 4.607 671 HB3 HIS 95 2HB HIS 95 -2.810 -5.888 6.225 672 HD2 HIS 95 2HD HIS 95 -0.408 -7.259 3.989 673 HE1 HIS 95 1HE HIS 95 -2.563 -10.723 5.156 674 HE2 HIS 95 2HE HIS 95 -0.419 -9.839 4.174 675 H VAL 96 H VAL 96 -4.751 -3.917 6.192 676 HA VAL 96 HA VAL 96 -5.245 -2.149 3.889 677 HB VAL 96 HB VAL 96 -6.142 -1.828 6.756 678 HG11 VAL 96 1HG1 VAL 96 -7.008 0.225 6.253 679 HG12 VAL 96 2HG1 VAL 96 -5.593 0.235 5.198 680 HG13 VAL 96 3HG1 VAL 96 -7.185 -0.146 4.539 681 HG21 VAL 96 1HG2 VAL 96 -8.365 -1.883 5.125 682 HG22 VAL 96 2HG2 VAL 96 -7.318 -3.121 4.431 683 HG23 VAL 96 3HG2 VAL 96 -7.782 -3.210 6.130 684 H VAL 97 H VAL 97 -3.452 -1.064 3.386 685 HA VAL 97 HA VAL 97 -1.602 -0.238 5.489 686 HB VAL 97 HB VAL 97 -1.367 -0.133 2.481 687 HG11 VAL 97 1HG1 VAL 97 0.022 1.378 4.459 688 HG12 VAL 97 2HG1 VAL 97 1.141 0.223 3.733 689 HG13 VAL 97 3HG1 VAL 97 0.259 1.359 2.712 690 HG21 VAL 97 1HG2 VAL 97 -1.118 -2.363 3.134 691 HG22 VAL 97 2HG2 VAL 97 0.537 -1.762 3.034 692 HG23 VAL 97 3HG2 VAL 97 -0.246 -1.932 4.605 693 H GLU 98 H GLU 98 -1.628 1.742 6.314 694 HA GLU 98 HA GLU 98 -3.051 3.855 4.841 695 HB2 GLU 98 1HB GLU 98 -2.649 3.336 7.771 696 HB3 GLU 98 2HB GLU 98 -3.032 4.953 7.196 697 HG2 GLU 98 1HG GLU 98 -5.141 4.338 6.468 698 HG3 GLU 98 2HG GLU 98 -4.726 2.626 6.397 699 H VAL 99 H VAL 99 -1.726 5.182 3.801 700 HA VAL 99 HA VAL 99 0.923 5.744 4.941 701 HB VAL 99 HB VAL 99 -0.085 6.263 2.140 702 HG11 VAL 99 1HG1 VAL 99 2.502 6.794 3.531 703 HG12 VAL 99 2HG1 VAL 99 2.503 6.409 1.809 704 HG13 VAL 99 3HG1 VAL 99 1.604 7.807 2.401 705 HG21 VAL 99 1HG2 VAL 99 0.264 4.091 1.801 706 HG22 VAL 99 2HG2 VAL 99 1.980 4.399 2.069 707 HG23 VAL 99 3HG2 VAL 99 0.957 3.885 3.410 708 H THR 100 H THR 100 1.652 7.842 5.235 709 HA THR 100 HA THR 100 -0.173 10.054 4.700 710 HB THR 100 HB THR 100 0.155 10.924 7.044 711 HG1 THR 100 1HG THR 100 1.421 8.449 7.240 712 HG21 THR 100 1HG2 THR 100 -1.978 10.006 6.424 713 HG22 THR 100 2HG2 THR 100 -1.574 9.419 8.037 714 HG23 THR 100 3HG2 THR 100 -1.384 8.360 6.640 715 H TYR 101 H TYR 101 0.956 11.652 3.827 716 HA TYR 101 HA TYR 101 3.843 11.796 4.359 717 HB2 TYR 101 1HB TYR 101 3.029 11.511 1.986 718 HB3 TYR 101 2HB TYR 101 2.330 13.122 2.104 719 HD1 TYR 101 1HD TYR 101 4.148 14.893 3.139 720 HD2 TYR 101 2HD TYR 101 5.036 11.404 0.872 721 HE1 TYR 101 1HE TYR 101 6.300 15.880 2.474 722 HE2 TYR 101 2HE TYR 101 7.191 12.381 0.202 723 HH TYR 101 HH TYR 101 8.798 14.228 1.305 724 H ASP 102 H ASP 102 4.117 13.095 6.084 725 HA ASP 102 HA ASP 102 4.243 15.010 7.308 726 HB2 ASP 102 1HB ASP 102 4.844 15.969 5.045 727 HB3 ASP 102 2HB ASP 102 3.157 16.448 4.884 728 H ASP 103 H ASP 103 2.100 13.518 7.867 729 HA ASP 103 HA ASP 103 0.075 13.566 8.903 730 HB2 ASP 103 1HB ASP 103 0.310 16.578 8.805 731 HB3 ASP 103 2HB ASP 103 -0.665 15.619 9.916 732 H VAL 104 H VAL 104 0.314 13.676 5.967 733 HA VAL 104 HA VAL 104 -2.448 14.479 5.412 734 HB VAL 104 HB VAL 104 -0.095 15.247 3.679 735 HG11 VAL 104 1HG1 VAL 104 -1.746 16.299 2.217 736 HG12 VAL 104 2HG1 VAL 104 -2.022 14.560 2.341 737 HG13 VAL 104 3HG1 VAL 104 -3.047 15.683 3.236 738 HG21 VAL 104 1HG2 VAL 104 -2.064 16.958 5.194 739 HG22 VAL 104 2HG2 VAL 104 -0.381 16.682 5.644 740 HG23 VAL 104 3HG2 VAL 104 -0.765 17.543 4.154 741 HA PRO 105 HA PRO 105 -2.191 10.335 3.741 742 HB2 PRO 105 1HB PRO 105 -4.840 10.129 3.183 743 HB3 PRO 105 2HB PRO 105 -4.183 9.933 4.812 744 HG2 PRO 105 1HG PRO 105 -5.485 12.325 3.569 745 HG3 PRO 105 2HG PRO 105 -5.708 11.647 5.193 746 HD2 PRO 105 1HD PRO 105 -4.142 13.804 4.717 747 HD3 PRO 105 2HD PRO 105 -3.790 12.634 6.005 748 H ILE 106 H ILE 106 -2.169 9.461 1.693 749 HA ILE 106 HA ILE 106 -2.295 11.361 -0.496 750 HB ILE 106 HB ILE 106 -1.392 9.502 -1.866 751 HG12 ILE 106 1HG1 ILE 106 -1.401 8.002 0.763 752 HG13 ILE 106 2HG1 ILE 106 -2.406 7.635 -0.635 753 HG21 ILE 106 1HG2 ILE 106 0.748 9.861 -1.170 754 HG22 ILE 106 2HG2 ILE 106 -0.066 11.118 -0.240 755 HG23 ILE 106 3HG2 ILE 106 0.359 9.589 0.528 756 HD11 ILE 106 1HD1 ILE 106 -0.658 6.087 -0.701 757 HD12 ILE 106 2HD1 ILE 106 -0.231 7.303 -1.906 758 HD13 ILE 106 3HD1 ILE 106 0.556 7.310 -0.328 759 HA PRO 107 HA PRO 107 -6.208 10.182 -2.102 760 HB2 PRO 107 1HB PRO 107 -5.790 10.509 -4.765 761 HB3 PRO 107 2HB PRO 107 -5.944 11.866 -3.643 762 HG2 PRO 107 1HG PRO 107 -3.471 10.618 -4.778 763 HG3 PRO 107 2HG PRO 107 -3.860 12.334 -4.562 764 HD2 PRO 107 1HD PRO 107 -2.258 10.977 -2.852 765 HD3 PRO 107 2HD PRO 107 -3.309 12.307 -2.324 766 H ASN 108 H ASN 108 -3.566 8.251 -2.335 767 HA ASN 108 HA ASN 108 -4.867 6.273 -4.075 768 HB2 ASN 108 1HB ASN 108 -2.028 6.262 -3.030 769 HB3 ASN 108 2HB ASN 108 -2.705 5.196 -4.257 770 HD21 ASN 108 1HD2 ASN 108 -2.320 8.657 -3.583 771 HD22 ASN 108 2HD2 ASN 108 -1.922 9.102 -5.204 772 H SER 109 H SER 109 -4.184 7.002 -0.820 773 HA SER 109 HA SER 109 -4.533 4.215 0.022 774 HB2 SER 109 1HB SER 109 -3.311 6.628 1.244 775 HB3 SER 109 2HB SER 109 -4.122 5.515 2.345 776 HG SER 109 HG SER 109 -1.736 5.236 1.605 777 HA PRO 110 HA PRO 110 -4.816 3.667 2.451 778 HB2 PRO 110 1HB PRO 110 -6.544 1.680 3.112 779 HB3 PRO 110 2HB PRO 110 -6.307 3.119 4.111 780 HG2 PRO 110 1HG PRO 110 -8.480 2.517 2.142 781 HG3 PRO 110 2HG PRO 110 -8.601 3.247 3.753 782 HD2 PRO 110 1HD PRO 110 -8.657 4.717 1.480 783 HD3 PRO 110 2HD PRO 110 -7.964 5.329 2.996 784 H PHE 111 H PHE 111 -4.021 1.561 1.870 785 HA PHE 111 HA PHE 111 -4.736 0.830 -0.879 786 HB2 PHE 111 1HB PHE 111 -2.255 0.376 0.775 787 HB3 PHE 111 2HB PHE 111 -2.529 -0.454 -0.753 788 HD1 PHE 111 1HD PHE 111 -3.271 1.222 -2.716 789 HD2 PHE 111 2HD PHE 111 -0.972 2.266 0.710 790 HE1 PHE 111 1HE PHE 111 -2.346 3.152 -3.929 791 HE2 PHE 111 2HE PHE 111 -0.044 4.198 -0.497 792 HZ PHE 111 HZ PHE 111 -0.731 4.644 -2.820 793 H LYS 112 H LYS 112 -4.494 -1.543 -1.403 794 HA LYS 112 HA LYS 112 -5.364 -3.261 0.813 795 HB2 LYS 112 1HB LYS 112 -6.804 -2.686 -1.734 796 HB3 LYS 112 2HB LYS 112 -6.874 -4.324 -1.098 797 HG2 LYS 112 1HG LYS 112 -8.066 -3.696 0.766 798 HG3 LYS 112 2HG LYS 112 -7.491 -2.029 0.703 799 HD2 LYS 112 1HD LYS 112 -8.822 -1.791 -1.437 800 HD3 LYS 112 2HD LYS 112 -9.554 -3.350 -1.048 801 HE2 LYS 112 1HE LYS 112 -9.539 -1.190 1.010 802 HE3 LYS 112 2HE LYS 112 -10.698 -1.104 -0.316 803 HZ1 LYS 112 1HZ LYS 112 -10.411 -3.287 1.672 804 HZ2 LYS 112 2HZ LYS 112 -11.396 -3.392 0.302 805 HZ3 LYS 112 3HZ LYS 112 -11.722 -2.233 1.490 806 H VAL 113 H VAL 113 -3.772 -4.704 0.972 807 HA VAL 113 HA VAL 113 -2.567 -5.772 -1.487 808 HB VAL 113 HB VAL 113 -1.562 -5.915 1.359 809 HG11 VAL 113 1HG1 VAL 113 0.146 -7.235 0.686 810 HG12 VAL 113 2HG1 VAL 113 -1.016 -7.725 -0.548 811 HG13 VAL 113 3HG1 VAL 113 0.213 -6.516 -0.922 812 HG21 VAL 113 1HG2 VAL 113 -1.081 -4.050 -0.896 813 HG22 VAL 113 2HG2 VAL 113 -1.101 -3.746 0.842 814 HG23 VAL 113 3HG2 VAL 113 0.305 -4.504 0.096 815 H ALA 114 H ALA 114 -3.749 -7.477 -2.142 816 HA ALA 114 HA ALA 114 -4.801 -9.376 -0.207 817 HB1 ALA 114 1HB ALA 114 -5.677 -8.475 -2.679 818 HB2 ALA 114 2HB ALA 114 -5.147 -10.130 -2.979 819 HB3 ALA 114 3HB ALA 114 -6.357 -9.802 -1.739 820 H VAL 115 H VAL 115 -3.136 -10.570 0.603 821 HA VAL 115 HA VAL 115 -1.013 -11.593 -1.012 822 HB VAL 115 HB VAL 115 -1.877 -12.353 1.782 823 HG11 VAL 115 1HG1 VAL 115 -0.282 -13.841 0.146 824 HG12 VAL 115 2HG1 VAL 115 0.899 -12.830 0.981 825 HG13 VAL 115 3HG1 VAL 115 -0.207 -13.845 1.908 826 HG21 VAL 115 1HG2 VAL 115 0.399 -10.591 0.884 827 HG22 VAL 115 2HG2 VAL 115 -1.157 -9.994 1.461 828 HG23 VAL 115 3HG2 VAL 115 -0.109 -10.913 2.542 829 H THR 116 H THR 116 -0.766 -13.554 -1.947 830 HA THR 116 HA THR 116 -3.040 -15.422 -1.755 831 HB THR 116 HB THR 116 -2.915 -14.448 -3.980 832 HG1 THR 116 1HG THR 116 -3.380 -16.364 -4.734 833 HG21 THR 116 1HG2 THR 116 -0.470 -13.915 -3.881 834 HG22 THR 116 2HG2 THR 116 -0.990 -14.652 -5.396 835 HG23 THR 116 3HG2 THR 116 -0.142 -15.619 -4.190 836 H GLU 117 H GLU 117 -2.595 -17.663 -1.800 837 HA GLU 117 HA GLU 117 -0.319 -18.445 -0.327 838 HB2 GLU 117 1HB GLU 117 -2.585 -19.843 -1.652 839 HB3 GLU 117 2HB GLU 117 -1.165 -20.802 -1.258 840 HG2 GLU 117 1HG GLU 117 -2.425 -19.055 0.811 841 HG3 GLU 117 2HG GLU 117 -3.104 -20.638 0.439 842 H GLY 118 H GLY 118 1.692 -18.463 -1.084 843 HA2 GLY 118 1HA GLY 118 2.132 -19.140 -3.915 844 HA3 GLY 118 2HA GLY 118 3.252 -18.249 -2.896 845 H CYS 119 H CYS 119 5.020 -19.365 -2.456 846 HA CYS 119 HA CYS 119 4.843 -22.294 -2.317 847 HB2 CYS 119 1HB CYS 119 6.469 -20.921 -3.895 848 HB3 CYS 119 2HB CYS 119 7.462 -20.866 -2.444 849 HG CYS 119 HG CYS 119 8.564 -23.131 -2.883 850 H GLN 120 H GLN 120 5.238 -23.346 -0.469 851 HA GLN 120 HA GLN 120 5.672 -21.811 1.934 852 HB2 GLN 120 1HB GLN 120 5.278 -23.892 3.113 853 HB3 GLN 120 2HB GLN 120 4.057 -23.681 1.865 854 HG2 GLN 120 1HG GLN 120 5.573 -25.152 0.414 855 HG3 GLN 120 2HG GLN 120 6.369 -25.579 1.928 856 HE21 GLN 120 1HE2 GLN 120 5.268 -27.570 0.553 857 HE22 GLN 120 2HE2 GLN 120 3.813 -28.124 1.302 858 HA PRO 121 HA PRO 121 10.034 -22.336 2.195 859 HB2 PRO 121 1HB PRO 121 10.342 -22.014 4.873 860 HB3 PRO 121 2HB PRO 121 9.986 -20.672 3.779 861 HG2 PRO 121 1HG PRO 121 8.128 -22.223 5.541 862 HG3 PRO 121 2HG PRO 121 8.202 -20.474 5.257 863 HD2 PRO 121 1HD PRO 121 6.385 -22.071 4.042 864 HD3 PRO 121 2HD PRO 121 7.053 -20.622 3.264 865 H SER 122 H SER 122 8.214 -23.989 4.784 866 HA SER 122 HA SER 122 8.767 -25.906 5.956 867 HB2 SER 122 1HB SER 122 7.375 -26.632 4.037 868 HB3 SER 122 2HB SER 122 8.843 -26.910 3.099 869 HG SER 122 HG SER 122 9.119 -28.731 4.108 870 H SER 123 H SER 123 11.065 -24.405 5.740 871 HA SER 123 HA SER 123 13.080 -26.511 5.663 872 HB2 SER 123 1HB SER 123 14.641 -25.133 4.344 873 HB3 SER 123 2HB SER 123 13.186 -25.513 3.423 874 HG SER 123 HG SER 123 13.967 -23.072 4.588 875 H GLY 124 H GLY 124 14.748 -26.217 7.100 876 HA2 GLY 124 1HA GLY 124 14.508 -23.838 8.835 877 HA3 GLY 124 2HA GLY 124 15.011 -25.425 9.398 878 HA PRO 125 HA PRO 125 18.653 -23.421 6.865 879 HB2 PRO 125 1HB PRO 125 18.555 -20.712 6.727 880 HB3 PRO 125 2HB PRO 125 17.861 -21.762 5.486 881 HG2 PRO 125 1HG PRO 125 16.503 -20.349 7.750 882 HG3 PRO 125 2HG PRO 125 15.982 -20.519 6.063 883 HD2 PRO 125 1HD PRO 125 14.979 -22.050 8.059 884 HD3 PRO 125 2HD PRO 125 15.166 -22.649 6.398 885 H SER 126 H SER 126 19.656 -24.102 8.802 886 HA SER 126 HA SER 126 21.014 -22.092 10.231 887 HB2 SER 126 1HB SER 126 18.695 -21.950 11.274 888 HB3 SER 126 2HB SER 126 18.998 -23.555 11.939 889 HG SER 126 HG SER 126 20.759 -22.715 13.061 890 H SER 127 H SER 127 22.455 -22.976 11.885 891 HA SER 127 HA SER 127 23.735 -25.303 11.071 892 HB2 SER 127 1HB SER 127 23.860 -23.582 13.502 893 HB3 SER 127 2HB SER 127 24.632 -25.165 13.579 894 HG SER 127 HG SER 127 26.029 -23.472 12.828 895 H GLY 128 H GLY 128 23.873 -27.396 11.953 896 HA2 GLY 128 1HA GLY 128 22.532 -28.429 14.129 897 HA3 GLY 128 2HA GLY 128 21.371 -28.472 12.810 Start of MODEL 9 1 H1 GLY 1 H GLY 1 5.663 -11.642 26.040 2 HA2 GLY 1 1HA GLY 1 5.330 -9.746 27.290 3 HA3 GLY 1 2HA GLY 1 7.077 -9.561 27.275 4 H SER 2 H SER 2 4.077 -8.677 25.725 5 HA SER 2 HA SER 2 5.043 -7.213 23.563 6 HB2 SER 2 1HB SER 2 2.662 -7.750 23.870 7 HB3 SER 2 2HB SER 2 2.587 -6.648 25.245 8 HG SER 2 HG SER 2 1.845 -5.655 23.329 9 H SER 3 H SER 3 4.260 -6.080 26.846 10 HA SER 3 HA SER 3 4.690 -4.070 27.874 11 HB2 SER 3 1HB SER 3 7.268 -5.181 26.878 12 HB3 SER 3 2HB SER 3 7.290 -3.547 27.540 13 HG SER 3 HG SER 3 7.200 -5.876 28.846 14 H GLY 4 H GLY 4 3.500 -3.613 25.405 15 HA2 GLY 4 1HA GLY 4 4.926 -1.182 24.513 16 HA3 GLY 4 2HA GLY 4 4.047 -2.222 23.402 17 H SER 5 H SER 5 3.830 0.683 24.513 18 HA SER 5 HA SER 5 1.023 0.892 24.205 19 HB2 SER 5 1HB SER 5 0.476 1.704 26.489 20 HB3 SER 5 2HB SER 5 0.946 0.005 26.471 21 HG SER 5 HG SER 5 3.048 0.686 27.128 22 H SER 6 H SER 6 0.760 2.782 23.239 23 HA SER 6 HA SER 6 1.740 5.230 24.272 24 HB2 SER 6 1HB SER 6 3.373 5.829 22.612 25 HB3 SER 6 2HB SER 6 3.850 4.271 23.287 26 HG SER 6 HG SER 6 2.230 3.856 21.206 27 H GLY 7 H GLY 7 1.270 7.076 22.769 28 HA2 GLY 7 1HA GLY 7 -0.107 6.964 20.402 29 HA3 GLY 7 2HA GLY 7 -1.335 6.700 21.631 30 H HIS 8 H HIS 8 1.454 8.879 21.172 31 HA HIS 8 HA HIS 8 0.217 11.016 22.589 32 HB2 HIS 8 1HB HIS 8 2.526 11.211 20.650 33 HB3 HIS 8 2HB HIS 8 2.131 12.328 21.953 34 HD1 HIS 8 1HD HIS 8 2.772 11.620 24.355 35 HD2 HIS 8 2HD HIS 8 3.875 8.887 21.428 36 HE1 HIS 8 1HE HIS 8 4.360 10.030 25.484 37 H PHE 9 H PHE 9 -1.725 11.603 21.717 38 HA PHE 9 HA PHE 9 -1.594 12.992 19.146 39 HB2 PHE 9 1HB PHE 9 -3.352 10.676 19.815 40 HB3 PHE 9 2HB PHE 9 -4.026 11.969 18.828 41 HD1 PHE 9 1HD PHE 9 -2.909 12.558 16.667 42 HD2 PHE 9 2HD PHE 9 -1.881 9.088 18.907 43 HE1 PHE 9 1HE PHE 9 -1.851 11.586 14.669 44 HE2 PHE 9 2HE PHE 9 -0.820 8.111 16.913 45 HZ PHE 9 HZ PHE 9 -0.804 9.361 14.791 46 HA PRO 10 HA PRO 10 -3.584 15.860 21.984 47 HB2 PRO 10 1HB PRO 10 -3.295 18.017 20.361 48 HB3 PRO 10 2HB PRO 10 -1.984 17.389 21.367 49 HG2 PRO 10 1HG PRO 10 -2.508 16.957 18.451 50 HG3 PRO 10 2HG PRO 10 -0.973 17.290 19.275 51 HD2 PRO 10 1HD PRO 10 -1.701 14.799 18.501 52 HD3 PRO 10 2HD PRO 10 -0.713 15.100 19.946 53 H ALA 11 H ALA 11 -5.217 17.768 21.372 54 HA ALA 11 HA ALA 11 -7.613 16.626 20.630 55 HB1 ALA 11 1HB ALA 11 -6.889 19.535 20.309 56 HB2 ALA 11 2HB ALA 11 -8.509 18.860 20.484 57 HB3 ALA 11 3HB ALA 11 -7.369 18.776 21.826 58 H ARG 12 H ARG 12 -8.996 17.625 18.741 59 HA ARG 12 HA ARG 12 -7.510 17.051 16.276 60 HB2 ARG 12 1HB ARG 12 -10.457 16.954 16.922 61 HB3 ARG 12 2HB ARG 12 -9.819 16.759 15.295 62 HG2 ARG 12 1HG ARG 12 -9.983 14.577 15.888 63 HG3 ARG 12 2HG ARG 12 -8.355 14.905 16.483 64 HD2 ARG 12 1HD ARG 12 -9.555 15.542 18.688 65 HD3 ARG 12 2HD ARG 12 -10.913 14.640 18.016 66 HE ARG 12 HE ARG 12 -8.440 13.186 17.955 67 HH11 ARG 12 1HH1 ARG 12 -11.203 14.035 19.896 68 HH12 ARG 12 2HH1 ARG 12 -11.076 12.642 20.918 69 HH21 ARG 12 1HH2 ARG 12 -8.263 11.348 19.294 70 HH22 ARG 12 2HH2 ARG 12 -9.404 11.115 20.576 71 H VAL 13 H VAL 13 -7.713 18.373 14.445 72 HA VAL 13 HA VAL 13 -9.121 20.906 14.691 73 HB VAL 13 HB VAL 13 -6.134 20.806 14.245 74 HG11 VAL 13 1HG1 VAL 13 -6.191 23.165 13.967 75 HG12 VAL 13 2HG1 VAL 13 -7.408 22.492 12.881 76 HG13 VAL 13 3HG1 VAL 13 -7.899 23.240 14.401 77 HG21 VAL 13 1HG2 VAL 13 -6.655 20.533 16.578 78 HG22 VAL 13 2HG2 VAL 13 -6.057 22.172 16.318 79 HG23 VAL 13 3HG2 VAL 13 -7.785 21.887 16.526 80 H LYS 14 H LYS 14 -9.556 21.896 12.723 81 HA LYS 14 HA LYS 14 -8.895 20.279 10.350 82 HB2 LYS 14 1HB LYS 14 -10.976 21.333 9.368 83 HB3 LYS 14 2HB LYS 14 -11.244 20.196 10.683 84 HG2 LYS 14 1HG LYS 14 -10.994 23.076 11.358 85 HG3 LYS 14 2HG LYS 14 -12.478 22.523 10.579 86 HD2 LYS 14 1HD LYS 14 -11.401 21.018 12.923 87 HD3 LYS 14 2HD LYS 14 -12.271 22.530 13.190 88 HE2 LYS 14 1HE LYS 14 -13.327 20.164 11.646 89 HE3 LYS 14 2HE LYS 14 -13.733 20.545 13.318 90 HZ1 LYS 14 1HZ LYS 14 -14.144 22.776 11.590 91 HZ2 LYS 14 2HZ LYS 14 -15.224 22.033 12.659 92 HZ3 LYS 14 3HZ LYS 14 -15.042 21.434 11.087 93 H VAL 15 H VAL 15 -7.261 21.219 9.300 94 HA VAL 15 HA VAL 15 -7.570 23.996 8.464 95 HB VAL 15 HB VAL 15 -5.076 22.986 9.838 96 HG11 VAL 15 1HG1 VAL 15 -5.009 25.780 9.359 97 HG12 VAL 15 2HG1 VAL 15 -3.934 24.531 8.727 98 HG13 VAL 15 3HG1 VAL 15 -5.390 24.977 7.836 99 HG21 VAL 15 1HG2 VAL 15 -7.067 23.671 11.257 100 HG22 VAL 15 2HG2 VAL 15 -5.547 24.505 11.580 101 HG23 VAL 15 3HG2 VAL 15 -6.810 25.306 10.646 102 H GLU 16 H GLU 16 -7.154 24.175 6.364 103 HA GLU 16 HA GLU 16 -6.683 22.252 4.575 104 HB2 GLU 16 1HB GLU 16 -5.920 23.878 3.022 105 HB3 GLU 16 2HB GLU 16 -7.022 24.713 4.109 106 HG2 GLU 16 1HG GLU 16 -4.950 25.418 5.407 107 HG3 GLU 16 2HG GLU 16 -4.030 24.868 4.008 108 HA PRO 17 HA PRO 17 -2.703 20.493 5.228 109 HB2 PRO 17 1HB PRO 17 -2.270 19.469 2.751 110 HB3 PRO 17 2HB PRO 17 -3.416 18.762 3.896 111 HG2 PRO 17 1HG PRO 17 -3.934 20.584 1.578 112 HG3 PRO 17 2HG PRO 17 -4.830 19.142 2.089 113 HD2 PRO 17 1HD PRO 17 -5.671 21.654 2.650 114 HD3 PRO 17 2HD PRO 17 -5.973 20.281 3.735 115 H ALA 18 H ALA 18 -0.474 20.548 4.386 116 HA ALA 18 HA ALA 18 0.087 23.084 2.991 117 HB1 ALA 18 1HB ALA 18 1.879 21.707 4.984 118 HB2 ALA 18 2HB ALA 18 2.095 23.308 4.274 119 HB3 ALA 18 3HB ALA 18 0.761 23.010 5.389 120 H VAL 19 H VAL 19 -0.240 20.175 2.069 121 HA VAL 19 HA VAL 19 2.084 20.208 0.306 122 HB VAL 19 HB VAL 19 2.732 18.735 2.178 123 HG11 VAL 19 1HG1 VAL 19 1.245 17.392 3.130 124 HG12 VAL 19 2HG1 VAL 19 0.052 17.813 1.899 125 HG13 VAL 19 3HG1 VAL 19 1.147 16.455 1.639 126 HG21 VAL 19 1HG2 VAL 19 2.212 17.216 -0.375 127 HG22 VAL 19 2HG2 VAL 19 3.550 18.336 -0.119 128 HG23 VAL 19 3HG2 VAL 19 3.445 16.855 0.833 129 H ASP 20 H ASP 20 1.783 19.068 -1.647 130 HA ASP 20 HA ASP 20 -0.960 18.937 -2.497 131 HB2 ASP 20 1HB ASP 20 1.654 18.402 -3.911 132 HB3 ASP 20 2HB ASP 20 0.086 18.241 -4.697 133 H THR 21 H THR 21 1.710 16.571 -2.468 134 HA THR 21 HA THR 21 1.602 14.275 -2.786 135 HB THR 21 HB THR 21 0.400 13.206 -0.814 136 HG1 THR 21 1HG THR 21 -0.132 15.955 -0.317 137 HG21 THR 21 1HG2 THR 21 2.704 14.984 -0.839 138 HG22 THR 21 2HG2 THR 21 2.511 13.398 -0.093 139 HG23 THR 21 3HG2 THR 21 1.975 14.845 0.760 140 H SER 22 H SER 22 -0.187 15.408 -4.569 141 HA SER 22 HA SER 22 -2.538 13.642 -4.379 142 HB2 SER 22 1HB SER 22 -2.164 16.401 -5.420 143 HB3 SER 22 2HB SER 22 -3.277 15.360 -6.307 144 HG SER 22 HG SER 22 -3.731 16.672 -4.063 145 H ARG 23 H ARG 23 0.367 14.175 -6.005 146 HA ARG 23 HA ARG 23 -0.527 12.544 -8.290 147 HB2 ARG 23 1HB ARG 23 1.866 14.387 -8.214 148 HB3 ARG 23 2HB ARG 23 1.218 13.548 -9.617 149 HG2 ARG 23 1HG ARG 23 0.333 15.604 -9.978 150 HG3 ARG 23 2HG ARG 23 -0.952 14.919 -8.980 151 HD2 ARG 23 1HD ARG 23 -0.301 16.117 -7.099 152 HD3 ARG 23 2HD ARG 23 1.327 16.392 -7.720 153 HE ARG 23 HE ARG 23 -0.802 17.648 -9.225 154 HH11 ARG 23 1HH1 ARG 23 1.551 17.967 -6.678 155 HH12 ARG 23 2HH1 ARG 23 1.574 19.698 -6.740 156 HH21 ARG 23 1HH2 ARG 23 -0.780 19.927 -9.315 157 HH22 ARG 23 2HH2 ARG 23 0.247 20.812 -8.239 158 H ILE 24 H ILE 24 0.375 11.636 -5.635 159 HA ILE 24 HA ILE 24 3.019 10.547 -6.027 160 HB ILE 24 HB ILE 24 0.964 10.185 -3.854 161 HG12 ILE 24 1HG1 ILE 24 3.678 11.515 -3.971 162 HG13 ILE 24 2HG1 ILE 24 2.118 12.315 -3.809 163 HG21 ILE 24 1HG2 ILE 24 3.129 8.436 -4.559 164 HG22 ILE 24 2HG2 ILE 24 3.417 9.157 -2.976 165 HG23 ILE 24 3HG2 ILE 24 1.925 8.267 -3.281 166 HD11 ILE 24 1HD1 ILE 24 2.195 12.127 -1.608 167 HD12 ILE 24 2HD1 ILE 24 2.475 10.389 -1.712 168 HD13 ILE 24 3HD1 ILE 24 3.837 11.507 -1.771 169 H LYS 25 H LYS 25 3.465 8.738 -7.080 170 HA LYS 25 HA LYS 25 1.314 6.757 -7.449 171 HB2 LYS 25 1HB LYS 25 3.433 7.791 -9.263 172 HB3 LYS 25 2HB LYS 25 3.010 6.090 -9.406 173 HG2 LYS 25 1HG LYS 25 0.724 6.639 -9.880 174 HG3 LYS 25 2HG LYS 25 1.025 8.348 -9.559 175 HD2 LYS 25 1HD LYS 25 2.407 8.551 -11.483 176 HD3 LYS 25 2HD LYS 25 2.450 6.802 -11.716 177 HE2 LYS 25 1HE LYS 25 -0.166 7.112 -11.872 178 HE3 LYS 25 2HE LYS 25 0.287 8.755 -12.323 179 HZ1 LYS 25 1HZ LYS 25 0.961 8.081 -14.319 180 HZ2 LYS 25 2HZ LYS 25 0.152 6.629 -14.006 181 HZ3 LYS 25 3HZ LYS 25 1.811 6.756 -13.701 182 H VAL 26 H VAL 26 1.690 4.645 -6.966 183 HA VAL 26 HA VAL 26 4.367 3.962 -5.937 184 HB VAL 26 HB VAL 26 3.275 2.470 -4.296 185 HG11 VAL 26 1HG1 VAL 26 2.043 5.103 -3.740 186 HG12 VAL 26 2HG1 VAL 26 3.098 4.108 -2.735 187 HG13 VAL 26 3HG1 VAL 26 3.780 5.078 -4.042 188 HG21 VAL 26 1HG2 VAL 26 0.742 3.764 -5.296 189 HG22 VAL 26 2HG2 VAL 26 1.179 2.060 -5.421 190 HG23 VAL 26 3HG2 VAL 26 0.861 2.776 -3.840 191 H PHE 27 H PHE 27 5.281 2.203 -6.785 192 HA PHE 27 HA PHE 27 3.570 0.246 -8.161 193 HB2 PHE 27 1HB PHE 27 5.488 0.044 -9.848 194 HB3 PHE 27 2HB PHE 27 4.464 1.472 -9.966 195 HD1 PHE 27 1HD PHE 27 5.306 3.662 -9.372 196 HD2 PHE 27 2HD PHE 27 7.781 0.208 -9.116 197 HE1 PHE 27 1HE PHE 27 7.294 5.102 -9.205 198 HE2 PHE 27 2HE PHE 27 9.772 1.643 -8.947 199 HZ PHE 27 HZ PHE 27 9.530 4.094 -8.992 200 H GLY 28 H GLY 28 4.196 -1.885 -8.015 201 HA2 GLY 28 1HA GLY 28 6.360 -3.251 -7.570 202 HA3 GLY 28 2HA GLY 28 6.290 -2.418 -6.024 203 HA PRO 29 HA PRO 29 3.734 -6.424 -6.080 204 HB2 PRO 29 1HB PRO 29 5.381 -7.943 -4.547 205 HB3 PRO 29 2HB PRO 29 5.489 -7.889 -6.310 206 HG2 PRO 29 1HG PRO 29 7.133 -6.446 -4.266 207 HG3 PRO 29 2HG PRO 29 7.657 -7.261 -5.751 208 HD2 PRO 29 1HD PRO 29 7.359 -4.574 -5.591 209 HD3 PRO 29 2HD PRO 29 7.061 -5.480 -7.089 210 H GLY 30 H GLY 30 5.722 -4.956 -3.526 211 HA2 GLY 30 1HA GLY 30 4.319 -5.843 -1.297 212 HA3 GLY 30 2HA GLY 30 5.200 -4.324 -1.382 213 H ILE 31 H ILE 31 3.373 -3.527 -3.677 214 HA ILE 31 HA ILE 31 1.105 -2.704 -1.986 215 HB ILE 31 HB ILE 31 2.578 -0.860 -2.765 216 HG12 ILE 31 1HG1 ILE 31 0.712 0.536 -3.728 217 HG13 ILE 31 2HG1 ILE 31 -0.260 -0.930 -3.803 218 HG21 ILE 31 1HG2 ILE 31 2.183 -2.201 -5.302 219 HG22 ILE 31 2HG2 ILE 31 1.808 -0.481 -5.398 220 HG23 ILE 31 3HG2 ILE 31 3.393 -1.007 -4.832 221 HD11 ILE 31 1HD1 ILE 31 0.016 0.846 -1.659 222 HD12 ILE 31 2HD1 ILE 31 -0.846 -0.693 -1.687 223 HD13 ILE 31 3HD1 ILE 31 0.842 -0.636 -1.181 224 H GLU 32 H GLU 32 2.055 -4.234 -4.941 225 HA GLU 32 HA GLU 32 -0.581 -4.130 -6.121 226 HB2 GLU 32 1HB GLU 32 1.951 -5.571 -6.913 227 HB3 GLU 32 2HB GLU 32 0.451 -5.672 -7.825 228 HG2 GLU 32 1HG GLU 32 1.577 -2.989 -7.214 229 HG3 GLU 32 2HG GLU 32 2.326 -3.964 -8.476 230 H GLY 33 H GLY 33 1.530 -6.675 -4.790 231 HA2 GLY 33 1HA GLY 33 0.540 -8.290 -3.250 232 HA3 GLY 33 2HA GLY 33 -0.911 -8.244 -4.239 233 H LYS 34 H LYS 34 2.326 -8.363 -5.571 234 HA LYS 34 HA LYS 34 1.655 -10.836 -6.936 235 HB2 LYS 34 1HB LYS 34 4.275 -9.377 -7.161 236 HB3 LYS 34 2HB LYS 34 3.488 -10.408 -8.349 237 HG2 LYS 34 1HG LYS 34 2.557 -7.676 -7.489 238 HG3 LYS 34 2HG LYS 34 3.381 -8.069 -9.000 239 HD2 LYS 34 1HD LYS 34 0.890 -9.549 -8.318 240 HD3 LYS 34 2HD LYS 34 0.748 -7.878 -8.868 241 HE2 LYS 34 1HE LYS 34 0.586 -9.160 -10.822 242 HE3 LYS 34 2HE LYS 34 2.248 -8.575 -10.812 243 HZ1 LYS 34 1HZ LYS 34 1.700 -11.075 -11.276 244 HZ2 LYS 34 2HZ LYS 34 1.681 -11.176 -9.588 245 HZ3 LYS 34 3HZ LYS 34 3.073 -10.642 -10.388 246 H ASP 35 H ASP 35 4.655 -9.773 -5.332 247 HA ASP 35 HA ASP 35 5.033 -12.531 -4.395 248 HB2 ASP 35 1HB ASP 35 6.877 -11.707 -5.723 249 HB3 ASP 35 2HB ASP 35 6.998 -10.258 -4.730 250 H VAL 36 H VAL 36 3.179 -10.908 -3.039 251 HA VAL 36 HA VAL 36 4.555 -10.074 -0.591 252 HB VAL 36 HB VAL 36 1.606 -9.793 -1.120 253 HG11 VAL 36 1HG1 VAL 36 3.088 -7.745 0.367 254 HG12 VAL 36 2HG1 VAL 36 1.551 -8.530 0.736 255 HG13 VAL 36 3HG1 VAL 36 3.071 -9.337 1.124 256 HG21 VAL 36 1HG2 VAL 36 2.238 -7.422 -1.831 257 HG22 VAL 36 2HG2 VAL 36 3.864 -8.060 -2.082 258 HG23 VAL 36 3HG2 VAL 36 2.508 -8.715 -3.000 259 H PHE 37 H PHE 37 3.905 -12.913 -1.567 260 HA PHE 37 HA PHE 37 1.954 -14.135 -0.062 261 HB2 PHE 37 1HB PHE 37 4.645 -15.427 -0.410 262 HB3 PHE 37 2HB PHE 37 3.050 -16.169 -0.465 263 HD1 PHE 37 1HD PHE 37 1.512 -15.432 -2.415 264 HD2 PHE 37 2HD PHE 37 5.735 -14.904 -2.376 265 HE1 PHE 37 1HE PHE 37 1.508 -15.246 -4.868 266 HE2 PHE 37 2HE PHE 37 5.738 -14.716 -4.829 267 HZ PHE 37 HZ PHE 37 3.623 -14.886 -6.078 268 H ARG 38 H ARG 38 2.109 -15.433 1.901 269 HA ARG 38 HA ARG 38 2.978 -13.963 4.106 270 HB2 ARG 38 1HB ARG 38 1.282 -15.956 3.896 271 HB3 ARG 38 2HB ARG 38 2.691 -16.938 4.275 272 HG2 ARG 38 1HG ARG 38 3.012 -15.645 6.342 273 HG3 ARG 38 2HG ARG 38 1.556 -14.722 5.967 274 HD2 ARG 38 1HD ARG 38 0.159 -16.475 6.427 275 HD3 ARG 38 2HD ARG 38 1.368 -17.688 6.007 276 HE ARG 38 HE ARG 38 0.974 -16.434 8.582 277 HH11 ARG 38 1HH1 ARG 38 3.112 -18.262 6.531 278 HH12 ARG 38 2HH1 ARG 38 4.037 -18.905 7.847 279 HH21 ARG 38 1HH2 ARG 38 2.184 -17.274 10.324 280 HH22 ARG 38 2HH2 ARG 38 3.508 -18.343 10.004 281 H GLU 39 H GLU 39 4.766 -14.025 5.401 282 HA GLU 39 HA GLU 39 6.946 -14.318 5.981 283 HB2 GLU 39 1HB GLU 39 6.312 -17.043 4.865 284 HB3 GLU 39 2HB GLU 39 7.895 -16.655 5.526 285 HG2 GLU 39 1HG GLU 39 6.730 -15.991 7.649 286 HG3 GLU 39 2HG GLU 39 5.257 -16.673 6.963 287 H ALA 40 H ALA 40 6.316 -13.139 3.423 288 HA ALA 40 HA ALA 40 8.768 -13.836 1.942 289 HB1 ALA 40 1HB ALA 40 7.704 -13.750 -0.053 290 HB2 ALA 40 2HB ALA 40 6.312 -14.187 0.940 291 HB3 ALA 40 3HB ALA 40 6.573 -12.505 0.478 292 H THR 41 H THR 41 10.134 -12.212 1.403 293 HA THR 41 HA THR 41 9.727 -9.655 2.675 294 HB THR 41 HB THR 41 12.028 -10.507 0.910 295 HG1 THR 41 1HG THR 41 12.972 -10.761 3.168 296 HG21 THR 41 1HG2 THR 41 12.838 -8.739 2.938 297 HG22 THR 41 2HG2 THR 41 11.361 -8.058 2.257 298 HG23 THR 41 3HG2 THR 41 12.733 -8.415 1.209 299 H THR 42 H THR 42 8.217 -8.448 1.635 300 HA THR 42 HA THR 42 8.719 -7.851 -1.208 301 HB THR 42 HB THR 42 6.602 -9.054 -0.925 302 HG1 THR 42 1HG THR 42 6.953 -6.835 -2.210 303 HG21 THR 42 1HG2 THR 42 5.361 -6.772 0.516 304 HG22 THR 42 2HG2 THR 42 6.342 -7.894 1.459 305 HG23 THR 42 3HG2 THR 42 4.954 -8.487 0.548 306 H ASP 43 H ASP 43 8.530 -5.713 -1.891 307 HA ASP 43 HA ASP 43 7.907 -3.644 0.047 308 HB2 ASP 43 1HB ASP 43 10.019 -2.488 -0.152 309 HB3 ASP 43 2HB ASP 43 10.327 -4.137 0.387 310 H PHE 44 H PHE 44 7.533 -1.592 -0.896 311 HA PHE 44 HA PHE 44 7.180 -1.687 -3.820 312 HB2 PHE 44 1HB PHE 44 5.330 -0.059 -3.485 313 HB3 PHE 44 2HB PHE 44 5.036 -1.606 -2.696 314 HD1 PHE 44 2HD PHE 44 5.045 -1.794 -0.282 315 HD2 PHE 44 1HD PHE 44 5.724 1.944 -2.201 316 HE1 PHE 44 2HE PHE 44 4.658 -0.633 1.852 317 HE2 PHE 44 1HE PHE 44 5.339 3.112 -0.070 318 HZ PHE 44 HZ PHE 44 4.804 1.824 1.960 319 H THR 45 H THR 45 6.994 0.647 -4.734 320 HA THR 45 HA THR 45 9.115 2.306 -3.535 321 HB THR 45 HB THR 45 8.652 1.886 -6.494 322 HG1 THR 45 1HG THR 45 9.706 0.093 -5.856 323 HG21 THR 45 1HG2 THR 45 10.217 3.815 -4.935 324 HG22 THR 45 2HG2 THR 45 9.670 3.889 -6.610 325 HG23 THR 45 3HG2 THR 45 11.131 2.992 -6.198 326 H VAL 46 H VAL 46 8.569 4.354 -3.155 327 HA VAL 46 HA VAL 46 6.074 5.368 -4.341 328 HB VAL 46 HB VAL 46 7.504 6.289 -1.843 329 HG11 VAL 46 1HG1 VAL 46 6.085 7.937 -3.287 330 HG12 VAL 46 2HG1 VAL 46 4.719 7.071 -2.581 331 HG13 VAL 46 3HG1 VAL 46 5.879 7.892 -1.536 332 HG21 VAL 46 1HG2 VAL 46 6.516 4.123 -1.497 333 HG22 VAL 46 2HG2 VAL 46 5.527 5.335 -0.683 334 HG23 VAL 46 3HG2 VAL 46 4.998 4.654 -2.221 335 H ASP 47 H ASP 47 6.352 6.714 -5.984 336 HA ASP 47 HA ASP 47 8.829 8.236 -6.223 337 HB2 ASP 47 1HB ASP 47 7.546 6.889 -8.109 338 HB3 ASP 47 2HB ASP 47 6.647 8.398 -8.256 339 H SER 48 H SER 48 8.987 10.320 -5.727 340 HA SER 48 HA SER 48 6.544 11.951 -5.635 341 HB2 SER 48 1HB SER 48 8.716 12.083 -3.535 342 HB3 SER 48 2HB SER 48 7.174 12.938 -3.533 343 HG SER 48 HG SER 48 7.750 10.432 -2.685 344 H ARG 49 H ARG 49 6.733 13.914 -6.538 345 HA ARG 49 HA ARG 49 9.431 14.781 -7.343 346 HB2 ARG 49 1HB ARG 49 6.839 14.714 -8.761 347 HB3 ARG 49 2HB ARG 49 7.798 16.168 -9.002 348 HG2 ARG 49 1HG ARG 49 8.601 14.909 -10.708 349 HG3 ARG 49 2HG ARG 49 9.712 14.396 -9.436 350 HD2 ARG 49 1HD ARG 49 9.072 12.354 -10.226 351 HD3 ARG 49 2HD ARG 49 7.824 12.600 -9.006 352 HE ARG 49 HE ARG 49 7.129 13.556 -11.636 353 HH11 ARG 49 1HH1 ARG 49 7.096 10.854 -9.441 354 HH12 ARG 49 2HH1 ARG 49 5.775 10.059 -10.233 355 HH21 ARG 49 1HH2 ARG 49 5.390 12.519 -12.687 356 HH22 ARG 49 2HH2 ARG 49 4.806 11.007 -12.079 357 HA PRO 50 HA PRO 50 7.278 18.918 -6.248 358 HB2 PRO 50 1HB PRO 50 4.621 18.897 -5.691 359 HB3 PRO 50 2HB PRO 50 5.258 19.069 -7.331 360 HG2 PRO 50 1HG PRO 50 4.191 16.631 -5.959 361 HG3 PRO 50 2HG PRO 50 3.906 17.199 -7.615 362 HD2 PRO 50 1HD PRO 50 5.672 15.230 -7.034 363 HD3 PRO 50 2HD PRO 50 5.911 16.359 -8.382 364 H LEU 51 H LEU 51 7.371 16.158 -4.546 365 HA LEU 51 HA LEU 51 6.599 17.430 -2.006 366 HB2 LEU 51 1HB LEU 51 7.107 14.501 -2.283 367 HB3 LEU 51 2HB LEU 51 6.096 15.353 -1.119 368 HG LEU 51 HG LEU 51 5.467 14.759 -4.006 369 HD11 LEU 51 1HD1 LEU 51 4.262 13.880 -1.389 370 HD12 LEU 51 2HD1 LEU 51 5.089 12.877 -2.580 371 HD13 LEU 51 3HD1 LEU 51 3.526 13.597 -2.967 372 HD21 LEU 51 1HD2 LEU 51 4.778 17.074 -3.138 373 HD22 LEU 51 2HD2 LEU 51 3.646 16.199 -2.107 374 HD23 LEU 51 3HD2 LEU 51 3.533 16.055 -3.862 375 H THR 52 H THR 52 9.020 15.222 -3.402 376 HA THR 52 HA THR 52 11.032 16.449 -1.648 377 HB THR 52 HB THR 52 10.280 14.243 -0.703 378 HG1 THR 52 1HG THR 52 12.251 14.537 0.035 379 HG21 THR 52 1HG2 THR 52 10.301 12.339 -1.890 380 HG22 THR 52 2HG2 THR 52 11.868 12.704 -2.613 381 HG23 THR 52 3HG2 THR 52 10.396 13.381 -3.309 382 H GLN 53 H GLN 53 13.287 15.895 -2.366 383 HA GLN 53 HA GLN 53 13.442 15.456 -5.267 384 HB2 GLN 53 1HB GLN 53 14.954 17.590 -3.752 385 HB3 GLN 53 2HB GLN 53 15.087 17.249 -5.472 386 HG2 GLN 53 1HG GLN 53 12.531 18.113 -4.148 387 HG3 GLN 53 2HG GLN 53 13.687 19.233 -4.869 388 HE21 GLN 53 1HE2 GLN 53 10.979 17.373 -5.405 389 HE22 GLN 53 2HE2 GLN 53 10.974 17.395 -7.132 390 H VAL 54 H VAL 54 15.136 15.510 -2.168 391 HA VAL 54 HA VAL 54 17.150 13.678 -3.291 392 HB VAL 54 HB VAL 54 18.616 14.318 -1.458 393 HG11 VAL 54 1HG1 VAL 54 17.583 16.200 -3.427 394 HG12 VAL 54 2HG1 VAL 54 18.351 16.990 -2.049 395 HG13 VAL 54 3HG1 VAL 54 19.248 15.806 -3.000 396 HG21 VAL 54 1HG2 VAL 54 17.874 15.241 0.422 397 HG22 VAL 54 2HG2 VAL 54 17.199 16.609 -0.463 398 HG23 VAL 54 3HG2 VAL 54 16.236 15.150 -0.227 399 H GLY 55 H GLY 55 14.592 12.722 -2.549 400 HA2 GLY 55 1HA GLY 55 14.059 10.634 -1.583 401 HA3 GLY 55 2HA GLY 55 15.406 10.831 -0.472 402 H GLY 56 H GLY 56 15.132 12.036 1.423 403 HA2 GLY 56 1HA GLY 56 13.798 13.500 2.811 404 HA3 GLY 56 2HA GLY 56 12.366 12.880 2.002 405 H ASP 57 H ASP 57 12.597 12.996 4.778 406 HA ASP 57 HA ASP 57 12.525 10.131 5.421 407 HB2 ASP 57 1HB ASP 57 14.624 11.507 6.243 408 HB3 ASP 57 2HB ASP 57 13.506 12.052 7.491 409 H HIS 58 H HIS 58 10.359 11.829 4.753 410 HA HIS 58 HA HIS 58 8.976 12.037 7.348 411 HB2 HIS 58 1HB HIS 58 8.942 13.780 4.935 412 HB3 HIS 58 2HB HIS 58 7.431 13.588 5.819 413 HD1 HIS 58 1HD HIS 58 7.154 14.945 7.905 414 HD2 HIS 58 2HD HIS 58 11.079 14.908 6.541 415 HE1 HIS 58 1HE HIS 58 8.379 16.615 9.333 416 H ILE 59 H ILE 59 9.236 9.675 5.649 417 HA ILE 59 HA ILE 59 6.464 9.327 4.731 418 HB ILE 59 HB ILE 59 8.961 7.763 4.083 419 HG12 ILE 59 1HG1 ILE 59 8.789 9.830 2.841 420 HG13 ILE 59 2HG1 ILE 59 8.413 8.493 1.761 421 HG21 ILE 59 1HG2 ILE 59 7.624 6.303 2.730 422 HG22 ILE 59 2HG2 ILE 59 6.969 6.301 4.366 423 HG23 ILE 59 3HG2 ILE 59 6.166 7.224 3.096 424 HD11 ILE 59 1HD1 ILE 59 6.787 10.751 2.564 425 HD12 ILE 59 2HD1 ILE 59 6.612 9.656 1.192 426 HD13 ILE 59 3HD1 ILE 59 5.954 9.210 2.766 427 H LYS 60 H LYS 60 5.214 7.616 5.446 428 HA LYS 60 HA LYS 60 6.298 5.780 7.423 429 HB2 LYS 60 1HB LYS 60 5.343 8.013 8.470 430 HB3 LYS 60 2HB LYS 60 3.797 7.217 8.205 431 HG2 LYS 60 1HG LYS 60 5.049 5.219 9.421 432 HG3 LYS 60 2HG LYS 60 5.975 6.558 10.102 433 HD2 LYS 60 1HD LYS 60 4.184 7.393 11.251 434 HD3 LYS 60 2HD LYS 60 3.012 6.786 10.078 435 HE2 LYS 60 1HE LYS 60 4.540 5.121 12.077 436 HE3 LYS 60 2HE LYS 60 2.849 5.601 12.214 437 HZ1 LYS 60 1HZ LYS 60 4.060 3.533 10.583 438 HZ2 LYS 60 2HZ LYS 60 2.860 4.443 9.813 439 HZ3 LYS 60 3HZ LYS 60 2.506 3.619 11.247 440 H ALA 61 H ALA 61 4.795 4.042 7.961 441 HA ALA 61 HA ALA 61 2.442 3.756 6.285 442 HB1 ALA 61 1HB ALA 61 3.589 2.707 4.670 443 HB2 ALA 61 2HB ALA 61 4.979 2.406 5.713 444 HB3 ALA 61 3HB ALA 61 3.579 1.336 5.780 445 H HIS 62 H HIS 62 1.061 2.038 6.935 446 HA HIS 62 HA HIS 62 1.789 0.526 9.312 447 HB2 HIS 62 1HB HIS 62 0.834 2.691 10.124 448 HB3 HIS 62 2HB HIS 62 -0.666 2.293 9.289 449 HD1 HIS 62 1HD HIS 62 0.565 2.292 12.536 450 HD2 HIS 62 2HD HIS 62 -1.430 -0.568 10.279 451 HE1 HIS 62 1HE HIS 62 -0.449 0.707 14.205 452 H ILE 63 H ILE 63 1.409 -1.465 8.568 453 HA ILE 63 HA ILE 63 -0.757 -2.025 6.749 454 HB ILE 63 HB ILE 63 1.195 -3.885 8.112 455 HG12 ILE 63 1HG1 ILE 63 1.123 -3.066 5.210 456 HG13 ILE 63 2HG1 ILE 63 2.047 -2.172 6.412 457 HG21 ILE 63 1HG2 ILE 63 -0.628 -4.500 5.795 458 HG22 ILE 63 2HG2 ILE 63 0.424 -5.616 6.664 459 HG23 ILE 63 3HG2 ILE 63 -0.987 -4.929 7.468 460 HD11 ILE 63 1HD1 ILE 63 2.413 -5.103 5.851 461 HD12 ILE 63 2HD1 ILE 63 3.368 -3.819 5.109 462 HD13 ILE 63 3HD1 ILE 63 3.428 -4.065 6.854 463 H ALA 64 H ALA 64 -2.548 -3.335 7.144 464 HA ALA 64 HA ALA 64 -3.127 -3.937 9.965 465 HB1 ALA 64 1HB ALA 64 -4.937 -2.556 7.996 466 HB2 ALA 64 2HB ALA 64 -5.502 -3.261 9.511 467 HB3 ALA 64 3HB ALA 64 -4.338 -1.937 9.535 468 H ASN 65 H ASN 65 -3.111 -6.101 10.001 469 HA ASN 65 HA ASN 65 -3.796 -7.754 7.811 470 HB2 ASN 65 1HB ASN 65 -3.556 -8.382 10.760 471 HB3 ASN 65 2HB ASN 65 -3.746 -9.597 9.500 472 HD21 ASN 65 1HD2 ASN 65 -1.618 -9.828 11.066 473 HD22 ASN 65 2HD2 ASN 65 -0.172 -9.367 10.239 474 HA PRO 66 HA PRO 66 -8.177 -7.987 8.045 475 HB2 PRO 66 1HB PRO 66 -8.583 -10.503 7.109 476 HB3 PRO 66 2HB PRO 66 -8.087 -9.160 6.072 477 HG2 PRO 66 1HG PRO 66 -6.422 -11.332 7.287 478 HG3 PRO 66 2HG PRO 66 -6.362 -10.661 5.646 479 HD2 PRO 66 1HD PRO 66 -4.606 -9.944 7.579 480 HD3 PRO 66 2HD PRO 66 -5.136 -8.824 6.307 481 H SER 67 H SER 67 -6.173 -9.674 10.090 482 HA SER 67 HA SER 67 -8.396 -11.037 11.449 483 HB2 SER 67 1HB SER 67 -5.419 -11.473 11.460 484 HB3 SER 67 2HB SER 67 -6.430 -12.106 12.758 485 HG SER 67 HG SER 67 -6.442 -13.715 11.318 486 H GLY 68 H GLY 68 -6.063 -8.493 11.737 487 HA2 GLY 68 1HA GLY 68 -6.974 -6.772 13.396 488 HA3 GLY 68 2HA GLY 68 -6.823 -8.084 14.556 489 H ALA 69 H ALA 69 -4.341 -9.062 13.274 490 HA ALA 69 HA ALA 69 -2.495 -7.577 14.830 491 HB1 ALA 69 1HB ALA 69 -1.310 -9.436 14.593 492 HB2 ALA 69 2HB ALA 69 -2.519 -10.047 13.463 493 HB3 ALA 69 3HB ALA 69 -1.136 -9.133 12.864 494 H SER 70 H SER 70 -0.311 -6.934 13.698 495 HA SER 70 HA SER 70 -0.805 -5.493 11.200 496 HB2 SER 70 1HB SER 70 0.360 -4.142 13.645 497 HB3 SER 70 2HB SER 70 0.052 -3.400 12.076 498 HG SER 70 HG SER 70 -1.743 -4.134 14.089 499 H THR 71 H THR 71 0.905 -5.489 9.861 500 HA THR 71 HA THR 71 3.293 -6.905 10.711 501 HB THR 71 HB THR 71 2.625 -5.812 7.972 502 HG1 THR 71 1HG THR 71 1.582 -7.656 7.607 503 HG21 THR 71 1HG2 THR 71 4.825 -6.284 7.705 504 HG22 THR 71 2HG2 THR 71 4.231 -7.938 7.557 505 HG23 THR 71 3HG2 THR 71 4.870 -7.365 9.097 506 H GLU 72 H GLU 72 5.387 -6.091 10.630 507 HA GLU 72 HA GLU 72 5.592 -3.243 11.072 508 HB2 GLU 72 1HB GLU 72 6.851 -5.239 12.261 509 HB3 GLU 72 2HB GLU 72 7.986 -5.023 10.937 510 HG2 GLU 72 1HG GLU 72 8.556 -2.869 11.613 511 HG3 GLU 72 2HG GLU 72 7.123 -2.709 12.627 512 H CYS 73 H CYS 73 6.292 -1.756 9.671 513 HA CYS 73 HA CYS 73 7.308 -2.696 7.074 514 HB2 CYS 73 1HB CYS 73 6.448 -0.615 6.126 515 HB3 CYS 73 2HB CYS 73 5.167 -1.485 6.962 516 HG CYS 73 HG CYS 73 5.487 0.167 9.310 517 H PHE 74 H PHE 74 9.115 -1.749 6.161 518 HA PHE 74 HA PHE 74 10.654 0.033 7.933 519 HB2 PHE 74 1HB PHE 74 11.994 -1.845 6.018 520 HB3 PHE 74 2HB PHE 74 12.628 -1.123 7.493 521 HD1 PHE 74 2HD PHE 74 10.711 -1.782 9.517 522 HD2 PHE 74 1HD PHE 74 12.050 -4.129 6.228 523 HE1 PHE 74 2HE PHE 74 10.155 -3.832 10.758 524 HE2 PHE 74 1HE PHE 74 11.495 -6.184 7.464 525 HZ PHE 74 HZ PHE 74 10.548 -6.037 9.733 526 H VAL 75 H VAL 75 10.410 1.987 7.013 527 HA VAL 75 HA VAL 75 10.352 2.334 4.152 528 HB VAL 75 HB VAL 75 10.154 4.725 4.629 529 HG11 VAL 75 1HG1 VAL 75 8.251 3.974 6.620 530 HG12 VAL 75 2HG1 VAL 75 7.984 4.358 4.919 531 HG13 VAL 75 3HG1 VAL 75 8.346 2.701 5.403 532 HG21 VAL 75 1HG2 VAL 75 10.736 3.859 7.448 533 HG22 VAL 75 2HG2 VAL 75 11.581 5.064 6.476 534 HG23 VAL 75 3HG2 VAL 75 9.954 5.395 7.071 535 H THR 76 H THR 76 12.017 2.757 2.855 536 HA THR 76 HA THR 76 14.528 3.728 4.043 537 HB THR 76 HB THR 76 14.293 1.553 1.954 538 HG1 THR 76 1HG THR 76 14.741 0.193 3.557 539 HG21 THR 76 1HG2 THR 76 16.694 1.446 1.981 540 HG22 THR 76 2HG2 THR 76 16.781 2.670 3.248 541 HG23 THR 76 3HG2 THR 76 16.221 3.109 1.635 542 H ASP 77 H ASP 77 15.073 5.602 3.164 543 HA ASP 77 HA ASP 77 13.995 6.365 0.570 544 HB2 ASP 77 1HB ASP 77 14.690 8.599 1.103 545 HB3 ASP 77 2HB ASP 77 13.937 7.918 2.543 546 H ASN 78 H ASN 78 15.124 6.412 -1.269 547 HA ASN 78 HA ASN 78 17.840 5.433 -1.266 548 HB2 ASN 78 1HB ASN 78 15.984 6.235 -3.514 549 HB3 ASN 78 2HB ASN 78 17.599 5.576 -3.756 550 HD21 ASN 78 1HD2 ASN 78 14.326 4.901 -3.010 551 HD22 ASN 78 2HD2 ASN 78 14.469 3.182 -2.913 552 H ALA 79 H ALA 79 16.924 8.249 -0.356 553 HA ALA 79 HA ALA 79 17.631 10.422 -0.514 554 HB1 ALA 79 1HB ALA 79 19.697 10.394 0.292 555 HB2 ALA 79 2HB ALA 79 19.813 8.689 -0.146 556 HB3 ALA 79 3HB ALA 79 20.344 9.929 -1.282 557 H ASP 80 H ASP 80 16.562 9.319 -2.977 558 HA ASP 80 HA ASP 80 18.000 11.026 -4.900 559 HB2 ASP 80 1HB ASP 80 18.389 8.732 -5.540 560 HB3 ASP 80 2HB ASP 80 16.672 8.358 -5.406 561 H GLY 81 H GLY 81 14.951 9.879 -3.645 562 HA2 GLY 81 1HA GLY 81 13.378 11.977 -3.802 563 HA3 GLY 81 2HA GLY 81 13.457 11.572 -5.510 564 H THR 82 H THR 82 13.708 8.655 -4.351 565 HA THR 82 HA THR 82 10.796 8.266 -4.106 566 HB THR 82 HB THR 82 11.040 6.094 -5.134 567 HG1 THR 82 1HG THR 82 12.947 5.159 -5.406 568 HG21 THR 82 1HG2 THR 82 12.411 8.318 -6.638 569 HG22 THR 82 2HG2 THR 82 10.717 7.837 -6.723 570 HG23 THR 82 3HG2 THR 82 11.967 6.781 -7.379 571 H TYR 83 H TYR 83 10.112 6.395 -2.831 572 HA TYR 83 HA TYR 83 11.978 5.852 -0.615 573 HB2 TYR 83 1HB TYR 83 8.956 5.972 -0.509 574 HB3 TYR 83 2HB TYR 83 10.028 5.659 0.852 575 HD1 TYR 83 2HD TYR 83 11.321 7.458 1.857 576 HD2 TYR 83 1HD TYR 83 8.716 8.209 -1.422 577 HE1 TYR 83 2HE TYR 83 11.454 9.872 2.311 578 HE2 TYR 83 1HE TYR 83 8.842 10.624 -0.978 579 HH TYR 83 HH TYR 83 10.194 11.896 1.892 580 H GLN 84 H GLN 84 11.846 3.773 0.390 581 HA GLN 84 HA GLN 84 10.523 1.695 -1.207 582 HB2 GLN 84 1HB GLN 84 12.956 1.900 -1.810 583 HB3 GLN 84 2HB GLN 84 13.343 1.446 -0.156 584 HG2 GLN 84 1HG GLN 84 13.492 -0.589 -1.133 585 HG3 GLN 84 2HG GLN 84 11.775 -0.600 -0.732 586 HE21 GLN 84 1HE2 GLN 84 10.519 -1.271 -2.302 587 HE22 GLN 84 2HE2 GLN 84 10.821 -1.115 -3.995 588 H VAL 85 H VAL 85 9.042 0.951 0.182 589 HA VAL 85 HA VAL 85 9.817 0.499 2.979 590 HB VAL 85 HB VAL 85 7.053 0.507 1.757 591 HG11 VAL 85 1HG1 VAL 85 7.175 -0.901 3.726 592 HG12 VAL 85 2HG1 VAL 85 7.955 0.396 4.634 593 HG13 VAL 85 3HG1 VAL 85 6.285 0.575 4.094 594 HG21 VAL 85 1HG2 VAL 85 8.533 2.610 3.329 595 HG22 VAL 85 2HG2 VAL 85 7.967 2.725 1.663 596 HG23 VAL 85 3HG2 VAL 85 6.804 2.658 2.987 597 H GLU 86 H GLU 86 10.283 -1.494 3.613 598 HA GLU 86 HA GLU 86 9.235 -3.751 2.036 599 HB2 GLU 86 1HB GLU 86 11.700 -3.476 1.963 600 HB3 GLU 86 2HB GLU 86 11.750 -3.661 3.710 601 HG2 GLU 86 1HG GLU 86 10.755 -5.919 3.442 602 HG3 GLU 86 2HG GLU 86 10.892 -5.723 1.696 603 H TYR 87 H TYR 87 8.122 -5.333 3.042 604 HA TYR 87 HA TYR 87 8.180 -5.564 5.939 605 HB2 TYR 87 1HB TYR 87 5.845 -5.232 6.277 606 HB3 TYR 87 2HB TYR 87 6.417 -3.849 5.350 607 HD1 TYR 87 2HD TYR 87 4.493 -6.988 5.177 608 HD2 TYR 87 1HD TYR 87 5.624 -3.432 3.133 609 HE1 TYR 87 2HE TYR 87 2.773 -7.427 3.474 610 HE2 TYR 87 1HE TYR 87 3.906 -3.860 1.425 611 HH TYR 87 HH TYR 87 2.169 -5.134 0.840 612 H THR 88 H THR 88 7.241 -7.520 6.721 613 HA THR 88 HA THR 88 6.784 -9.546 4.629 614 HB THR 88 HB THR 88 8.088 -10.131 7.286 615 HG1 THR 88 1HG THR 88 9.978 -10.331 5.655 616 HG21 THR 88 1HG2 THR 88 8.340 -12.266 6.551 617 HG22 THR 88 2HG2 THR 88 8.533 -11.778 4.867 618 HG23 THR 88 3HG2 THR 88 6.924 -11.850 5.586 619 HA PRO 89 HA PRO 89 2.958 -9.632 7.060 620 HB2 PRO 89 1HB PRO 89 1.505 -10.849 5.116 621 HB3 PRO 89 2HB PRO 89 1.822 -9.111 5.131 622 HG2 PRO 89 1HG PRO 89 3.196 -11.273 3.583 623 HG3 PRO 89 2HG PRO 89 2.687 -9.662 3.044 624 HD2 PRO 89 1HD PRO 89 5.248 -10.232 3.714 625 HD3 PRO 89 2HD PRO 89 4.526 -8.632 3.976 626 H PHE 90 H PHE 90 2.652 -11.158 8.543 627 HA PHE 90 HA PHE 90 3.436 -13.916 7.943 628 HB2 PHE 90 1HB PHE 90 3.046 -14.129 10.508 629 HB3 PHE 90 2HB PHE 90 4.478 -13.285 9.928 630 HD1 PHE 90 1HD PHE 90 0.940 -12.580 10.874 631 HD2 PHE 90 2HD PHE 90 4.981 -11.243 10.848 632 HE1 PHE 90 1HE PHE 90 0.289 -10.596 12.176 633 HE2 PHE 90 2HE PHE 90 4.336 -9.257 12.150 634 HZ PHE 90 HZ PHE 90 1.988 -8.932 12.816 635 H GLU 91 H GLU 91 0.995 -12.843 6.867 636 HA GLU 91 HA GLU 91 -0.801 -14.907 7.737 637 HB2 GLU 91 1HB GLU 91 -1.222 -12.075 8.539 638 HB3 GLU 91 2HB GLU 91 -2.631 -12.973 7.993 639 HG2 GLU 91 1HG GLU 91 -0.828 -13.614 10.308 640 HG3 GLU 91 2HG GLU 91 -2.530 -13.157 10.354 641 H LYS 92 H LYS 92 -1.955 -15.594 6.050 642 HA LYS 92 HA LYS 92 -1.738 -14.195 3.535 643 HB2 LYS 92 1HB LYS 92 -3.284 -16.720 4.135 644 HB3 LYS 92 2HB LYS 92 -2.755 -16.149 2.558 645 HG2 LYS 92 1HG LYS 92 -0.601 -16.820 2.879 646 HG3 LYS 92 2HG LYS 92 -0.687 -16.639 4.632 647 HD2 LYS 92 1HD LYS 92 -2.169 -18.779 3.115 648 HD3 LYS 92 2HD LYS 92 -0.552 -19.010 3.786 649 HE2 LYS 92 1HE LYS 92 -2.678 -17.960 5.579 650 HE3 LYS 92 2HE LYS 92 -2.738 -19.664 5.133 651 HZ1 LYS 92 1HZ LYS 92 -0.553 -18.236 6.534 652 HZ2 LYS 92 2HZ LYS 92 -0.363 -19.785 5.880 653 HZ3 LYS 92 3HZ LYS 92 -1.492 -19.520 7.112 654 H GLY 93 H GLY 93 -3.014 -12.450 3.316 655 HA2 GLY 93 1HA GLY 93 -5.774 -12.711 2.911 656 HA3 GLY 93 2HA GLY 93 -5.527 -12.099 4.540 657 H LEU 94 H LEU 94 -6.865 -10.361 3.334 658 HA LEU 94 HA LEU 94 -5.165 -8.545 1.800 659 HB2 LEU 94 1HB LEU 94 -7.221 -8.753 0.754 660 HB3 LEU 94 2HB LEU 94 -8.106 -8.779 2.278 661 HG LEU 94 HG LEU 94 -7.520 -6.334 2.519 662 HD11 LEU 94 1HD1 LEU 94 -6.915 -6.485 -0.420 663 HD12 LEU 94 2HD1 LEU 94 -5.656 -6.482 0.814 664 HD13 LEU 94 3HD1 LEU 94 -6.747 -5.104 0.665 665 HD21 LEU 94 1HD2 LEU 94 -9.673 -6.323 1.929 666 HD22 LEU 94 2HD2 LEU 94 -9.444 -7.607 0.742 667 HD23 LEU 94 3HD2 LEU 94 -9.103 -5.932 0.306 668 H HIS 95 H HIS 95 -4.041 -7.061 2.856 669 HA HIS 95 HA HIS 95 -5.017 -6.111 5.457 670 HB2 HIS 95 1HB HIS 95 -2.294 -5.413 4.476 671 HB3 HIS 95 2HB HIS 95 -2.839 -5.786 6.108 672 HD2 HIS 95 2HD HIS 95 -0.431 -7.307 3.961 673 HE1 HIS 95 1HE HIS 95 -2.617 -10.673 5.336 674 HE2 HIS 95 2HE HIS 95 -0.464 -9.870 4.304 675 H VAL 96 H VAL 96 -4.765 -3.825 5.969 676 HA VAL 96 HA VAL 96 -5.237 -2.146 3.598 677 HB VAL 96 HB VAL 96 -6.104 -1.704 6.459 678 HG11 VAL 96 1HG1 VAL 96 -7.073 -0.076 4.153 679 HG12 VAL 96 2HG1 VAL 96 -6.993 0.335 5.868 680 HG13 VAL 96 3HG1 VAL 96 -5.521 0.312 4.895 681 HG21 VAL 96 1HG2 VAL 96 -7.436 -3.420 5.493 682 HG22 VAL 96 2HG2 VAL 96 -8.393 -1.940 5.443 683 HG23 VAL 96 3HG2 VAL 96 -7.603 -2.529 3.981 684 H VAL 97 H VAL 97 -3.417 -1.135 3.031 685 HA VAL 97 HA VAL 97 -1.525 -0.255 5.066 686 HB VAL 97 HB VAL 97 -1.346 -0.145 2.052 687 HG11 VAL 97 1HG1 VAL 97 0.992 0.173 3.879 688 HG12 VAL 97 2HG1 VAL 97 0.777 0.732 2.219 689 HG13 VAL 97 3HG1 VAL 97 -0.043 1.560 3.544 690 HG21 VAL 97 1HG2 VAL 97 -0.582 -2.153 4.086 691 HG22 VAL 97 2HG2 VAL 97 -1.078 -2.370 2.408 692 HG23 VAL 97 3HG2 VAL 97 0.569 -1.863 2.782 693 H GLU 98 H GLU 98 -1.667 1.705 5.918 694 HA GLU 98 HA GLU 98 -3.017 3.821 4.387 695 HB2 GLU 98 1HB GLU 98 -2.679 3.314 7.325 696 HB3 GLU 98 2HB GLU 98 -3.018 4.938 6.741 697 HG2 GLU 98 1HG GLU 98 -5.128 4.379 6.001 698 HG3 GLU 98 2HG GLU 98 -4.745 2.663 5.882 699 H VAL 99 H VAL 99 -1.646 5.097 3.339 700 HA VAL 99 HA VAL 99 0.982 5.659 4.521 701 HB VAL 99 HB VAL 99 0.056 6.263 1.711 702 HG11 VAL 99 1HG1 VAL 99 2.062 7.175 1.351 703 HG12 VAL 99 2HG1 VAL 99 2.224 7.229 3.107 704 HG13 VAL 99 3HG1 VAL 99 2.898 5.875 2.199 705 HG21 VAL 99 1HG2 VAL 99 1.950 4.196 1.685 706 HG22 VAL 99 2HG2 VAL 99 0.768 3.755 2.918 707 HG23 VAL 99 3HG2 VAL 99 0.239 4.091 1.270 708 H THR 100 H THR 100 1.634 7.693 5.030 709 HA THR 100 HA THR 100 -0.114 9.949 4.373 710 HB THR 100 HB THR 100 0.129 10.794 6.738 711 HG1 THR 100 1HG THR 100 0.401 8.803 8.201 712 HG21 THR 100 1HG2 THR 100 -1.396 8.208 6.399 713 HG22 THR 100 2HG2 THR 100 -1.962 9.803 5.902 714 HG23 THR 100 3HG2 THR 100 -1.708 9.450 7.611 715 H TYR 101 H TYR 101 1.119 11.428 3.435 716 HA TYR 101 HA TYR 101 3.970 11.549 4.083 717 HB2 TYR 101 1HB TYR 101 3.176 11.387 1.693 718 HB3 TYR 101 2HB TYR 101 2.513 13.007 1.874 719 HD1 TYR 101 1HD TYR 101 4.239 14.808 2.753 720 HD2 TYR 101 2HD TYR 101 5.312 11.161 0.842 721 HE1 TYR 101 1HE TYR 101 6.420 15.772 2.151 722 HE2 TYR 101 2HE TYR 101 7.496 12.115 0.235 723 HH TYR 101 HH TYR 101 9.005 14.084 1.300 724 H ASP 102 H ASP 102 4.484 12.879 5.688 725 HA ASP 102 HA ASP 102 4.646 14.738 6.988 726 HB2 ASP 102 1HB ASP 102 5.042 15.777 4.712 727 HB3 ASP 102 2HB ASP 102 3.341 16.237 4.713 728 H ASP 103 H ASP 103 2.481 13.132 7.497 729 HA ASP 103 HA ASP 103 0.562 13.117 8.723 730 HB2 ASP 103 1HB ASP 103 0.654 16.128 8.797 731 HB3 ASP 103 2HB ASP 103 -0.050 15.028 9.979 732 H VAL 104 H VAL 104 0.618 13.453 5.775 733 HA VAL 104 HA VAL 104 -2.184 14.267 5.465 734 HB VAL 104 HB VAL 104 0.071 15.124 3.647 735 HG11 VAL 104 1HG1 VAL 104 -2.814 14.840 3.192 736 HG12 VAL 104 2HG1 VAL 104 -2.142 16.406 2.732 737 HG13 VAL 104 3HG1 VAL 104 -1.484 14.924 2.037 738 HG21 VAL 104 1HG2 VAL 104 -0.247 16.440 5.733 739 HG22 VAL 104 2HG2 VAL 104 -0.524 17.370 4.260 740 HG23 VAL 104 3HG2 VAL 104 -1.894 16.795 5.210 741 HA PRO 105 HA PRO 105 -2.152 10.232 3.556 742 HB2 PRO 105 1HB PRO 105 -4.816 10.167 3.036 743 HB3 PRO 105 2HB PRO 105 -4.143 9.869 4.644 744 HG2 PRO 105 1HG PRO 105 -5.358 12.369 3.531 745 HG3 PRO 105 2HG PRO 105 -5.585 11.629 5.127 746 HD2 PRO 105 1HD PRO 105 -3.933 13.736 4.720 747 HD3 PRO 105 2HD PRO 105 -3.613 12.494 5.948 748 H ILE 106 H ILE 106 -2.472 9.371 1.465 749 HA ILE 106 HA ILE 106 -2.495 11.405 -0.639 750 HB ILE 106 HB ILE 106 -1.779 9.400 -2.082 751 HG12 ILE 106 1HG1 ILE 106 -1.117 8.261 0.640 752 HG13 ILE 106 2HG1 ILE 106 -2.461 7.710 -0.354 753 HG21 ILE 106 1HG2 ILE 106 0.285 9.944 -0.016 754 HG22 ILE 106 2HG2 ILE 106 0.403 9.990 -1.774 755 HG23 ILE 106 3HG2 ILE 106 -0.380 11.312 -0.908 756 HD11 ILE 106 1HD1 ILE 106 0.034 7.720 -1.818 757 HD12 ILE 106 2HD1 ILE 106 0.109 6.719 -0.368 758 HD13 ILE 106 3HD1 ILE 106 -1.137 6.423 -1.580 759 HA PRO 107 HA PRO 107 -6.437 10.318 -2.235 760 HB2 PRO 107 1HB PRO 107 -6.044 10.629 -4.903 761 HB3 PRO 107 2HB PRO 107 -6.145 11.992 -3.782 762 HG2 PRO 107 1HG PRO 107 -3.723 10.672 -4.946 763 HG3 PRO 107 2HG PRO 107 -4.061 12.400 -4.728 764 HD2 PRO 107 1HD PRO 107 -2.476 11.001 -3.036 765 HD3 PRO 107 2HD PRO 107 -3.483 12.361 -2.498 766 H ASN 108 H ASN 108 -3.834 8.325 -2.534 767 HA ASN 108 HA ASN 108 -5.224 6.377 -4.235 768 HB2 ASN 108 1HB ASN 108 -2.430 5.970 -3.236 769 HB3 ASN 108 2HB ASN 108 -3.171 5.417 -4.735 770 HD21 ASN 108 1HD2 ASN 108 -4.025 7.432 -6.055 771 HD22 ASN 108 2HD2 ASN 108 -2.828 8.652 -6.307 772 H SER 109 H SER 109 -4.343 7.059 -0.992 773 HA SER 109 HA SER 109 -4.738 4.294 -0.134 774 HB2 SER 109 1HB SER 109 -3.554 6.735 1.079 775 HB3 SER 109 2HB SER 109 -4.327 5.595 2.180 776 HG SER 109 HG SER 109 -2.466 4.737 0.239 777 HA PRO 110 HA PRO 110 -5.020 3.725 2.274 778 HB2 PRO 110 1HB PRO 110 -6.735 1.723 2.919 779 HB3 PRO 110 2HB PRO 110 -6.505 3.154 3.931 780 HG2 PRO 110 1HG PRO 110 -8.677 2.557 1.959 781 HG3 PRO 110 2HG PRO 110 -8.801 3.272 3.577 782 HD2 PRO 110 1HD PRO 110 -8.868 4.762 1.317 783 HD3 PRO 110 2HD PRO 110 -8.177 5.364 2.838 784 H PHE 111 H PHE 111 -4.314 1.531 1.739 785 HA PHE 111 HA PHE 111 -5.017 0.837 -1.030 786 HB2 PHE 111 1HB PHE 111 -2.488 0.588 0.562 787 HB3 PHE 111 2HB PHE 111 -2.763 -0.470 -0.819 788 HD1 PHE 111 1HD PHE 111 -3.343 0.670 -3.054 789 HD2 PHE 111 2HD PHE 111 -1.583 2.693 0.250 790 HE1 PHE 111 1HE PHE 111 -2.538 2.434 -4.568 791 HE2 PHE 111 2HE PHE 111 -0.775 4.461 -1.258 792 HZ PHE 111 HZ PHE 111 -1.253 4.334 -3.671 793 H LYS 112 H LYS 112 -4.774 -1.522 -1.565 794 HA LYS 112 HA LYS 112 -5.568 -3.250 0.676 795 HB2 LYS 112 1HB LYS 112 -7.025 -2.734 -1.876 796 HB3 LYS 112 2HB LYS 112 -7.062 -4.363 -1.213 797 HG2 LYS 112 1HG LYS 112 -8.320 -3.755 0.585 798 HG3 LYS 112 2HG LYS 112 -7.690 -2.107 0.610 799 HD2 LYS 112 1HD LYS 112 -9.813 -1.722 -0.164 800 HD3 LYS 112 2HD LYS 112 -8.957 -1.942 -1.692 801 HE2 LYS 112 1HE LYS 112 -10.148 -4.318 -0.342 802 HE3 LYS 112 2HE LYS 112 -11.209 -3.207 -1.206 803 HZ1 LYS 112 1HZ LYS 112 -10.676 -4.530 -2.928 804 HZ2 LYS 112 2HZ LYS 112 -9.222 -5.055 -2.242 805 HZ3 LYS 112 3HZ LYS 112 -9.298 -3.552 -3.013 806 H VAL 113 H VAL 113 -3.849 -4.561 0.831 807 HA VAL 113 HA VAL 113 -2.667 -5.657 -1.621 808 HB VAL 113 HB VAL 113 -1.636 -5.708 1.219 809 HG11 VAL 113 1HG1 VAL 113 -0.750 -7.043 -1.270 810 HG12 VAL 113 2HG1 VAL 113 0.504 -6.336 -0.249 811 HG13 VAL 113 3HG1 VAL 113 -0.590 -7.553 0.411 812 HG21 VAL 113 1HG2 VAL 113 -0.612 -4.177 -1.168 813 HG22 VAL 113 2HG2 VAL 113 -1.620 -3.487 0.104 814 HG23 VAL 113 3HG2 VAL 113 -0.010 -4.095 0.487 815 H ALA 114 H ALA 114 -3.873 -7.377 -2.228 816 HA ALA 114 HA ALA 114 -4.926 -9.254 -0.310 817 HB1 ALA 114 1HB ALA 114 -6.394 -9.407 -1.980 818 HB2 ALA 114 2HB ALA 114 -5.273 -8.694 -3.140 819 HB3 ALA 114 3HB ALA 114 -5.202 -10.422 -2.793 820 H VAL 115 H VAL 115 -3.142 -10.154 0.723 821 HA VAL 115 HA VAL 115 -0.966 -11.323 -0.725 822 HB VAL 115 HB VAL 115 -1.800 -11.553 2.166 823 HG11 VAL 115 1HG1 VAL 115 0.684 -12.611 0.822 824 HG12 VAL 115 2HG1 VAL 115 0.397 -12.576 2.563 825 HG13 VAL 115 3HG1 VAL 115 -0.617 -13.575 1.520 826 HG21 VAL 115 1HG2 VAL 115 -0.989 -9.433 2.025 827 HG22 VAL 115 2HG2 VAL 115 0.540 -10.287 2.234 828 HG23 VAL 115 3HG2 VAL 115 0.020 -9.792 0.624 829 H THR 116 H THR 116 -0.448 -13.539 -0.896 830 HA THR 116 HA THR 116 -2.593 -15.456 -0.357 831 HB THR 116 HB THR 116 -3.000 -14.823 -2.656 832 HG1 THR 116 1HG THR 116 -1.650 -17.242 -3.034 833 HG21 THR 116 1HG2 THR 116 -0.592 -14.039 -3.013 834 HG22 THR 116 2HG2 THR 116 -1.384 -14.843 -4.368 835 HG23 THR 116 3HG2 THR 116 -0.223 -15.724 -3.376 836 H GLU 117 H GLU 117 -1.857 -17.725 -0.626 837 HA GLU 117 HA GLU 117 0.891 -17.973 0.339 838 HB2 GLU 117 1HB GLU 117 0.007 -20.443 0.651 839 HB3 GLU 117 2HB GLU 117 -0.405 -19.176 1.798 840 HG2 GLU 117 1HG GLU 117 -2.577 -18.981 0.996 841 HG3 GLU 117 2HG GLU 117 -2.188 -19.780 -0.526 842 H GLY 118 H GLY 118 2.291 -18.075 -1.325 843 HA2 GLY 118 1HA GLY 118 1.679 -19.977 -3.501 844 HA3 GLY 118 2HA GLY 118 2.669 -18.539 -3.701 845 H CYS 119 H CYS 119 4.441 -18.610 -1.708 846 HA CYS 119 HA CYS 119 5.634 -21.269 -1.608 847 HB2 CYS 119 1HB CYS 119 6.526 -20.172 -3.657 848 HB3 CYS 119 2HB CYS 119 7.158 -18.874 -2.651 849 HG CYS 119 HG CYS 119 8.131 -21.977 -1.788 850 H GLN 120 H GLN 120 6.941 -21.610 0.157 851 HA GLN 120 HA GLN 120 7.760 -19.399 1.832 852 HB2 GLN 120 1HB GLN 120 6.611 -20.266 3.842 853 HB3 GLN 120 2HB GLN 120 5.487 -19.704 2.612 854 HG2 GLN 120 1HG GLN 120 5.050 -21.985 1.927 855 HG3 GLN 120 2HG GLN 120 6.232 -22.580 3.092 856 HE21 GLN 120 1HE2 GLN 120 3.498 -23.324 2.959 857 HE22 GLN 120 2HE2 GLN 120 2.748 -22.826 4.433 858 HA PRO 121 HA PRO 121 11.075 -22.184 2.619 859 HB2 PRO 121 1HB PRO 121 12.073 -21.042 4.871 860 HB3 PRO 121 2HB PRO 121 12.276 -20.335 3.264 861 HG2 PRO 121 1HG PRO 121 10.304 -19.637 5.405 862 HG3 PRO 121 2HG PRO 121 11.250 -18.560 4.361 863 HD2 PRO 121 1HD PRO 121 8.647 -19.134 3.885 864 HD3 PRO 121 2HD PRO 121 9.808 -18.813 2.581 865 H SER 122 H SER 122 11.781 -23.812 4.078 866 HA SER 122 HA SER 122 9.876 -24.442 6.235 867 HB2 SER 122 1HB SER 122 9.813 -25.864 4.033 868 HB3 SER 122 2HB SER 122 11.260 -26.618 4.704 869 HG SER 122 HG SER 122 9.820 -26.788 6.688 870 H SER 123 H SER 123 10.845 -24.400 8.141 871 HA SER 123 HA SER 123 13.736 -24.801 8.300 872 HB2 SER 123 1HB SER 123 11.731 -23.719 10.290 873 HB3 SER 123 2HB SER 123 13.441 -23.950 10.651 874 HG SER 123 HG SER 123 12.880 -22.537 8.339 875 H GLY 124 H GLY 124 14.587 -26.048 10.174 876 HA2 GLY 124 1HA GLY 124 12.840 -28.348 10.798 877 HA3 GLY 124 2HA GLY 124 14.526 -28.554 10.349 878 HA PRO 125 HA PRO 125 14.492 -28.602 14.923 879 HB2 PRO 125 1HB PRO 125 16.565 -30.344 15.125 880 HB3 PRO 125 2HB PRO 125 14.893 -30.864 14.881 881 HG2 PRO 125 1HG PRO 125 17.097 -30.570 12.877 882 HG3 PRO 125 2HG PRO 125 15.902 -31.870 13.044 883 HD2 PRO 125 1HD PRO 125 15.656 -29.892 11.211 884 HD3 PRO 125 2HD PRO 125 14.253 -30.663 11.979 885 H SER 126 H SER 126 16.338 -28.208 16.460 886 HA SER 126 HA SER 126 18.592 -26.780 15.264 887 HB2 SER 126 1HB SER 126 16.566 -25.580 17.146 888 HB3 SER 126 2HB SER 126 18.201 -24.934 17.012 889 HG SER 126 HG SER 126 17.512 -25.086 14.580 890 H SER 127 H SER 127 20.438 -27.270 16.252 891 HA SER 127 HA SER 127 20.304 -28.664 18.830 892 HB2 SER 127 1HB SER 127 22.460 -29.601 18.294 893 HB3 SER 127 2HB SER 127 21.421 -29.787 16.881 894 HG SER 127 HG SER 127 22.433 -27.705 16.200 895 H GLY 128 H GLY 128 22.231 -28.296 20.295 896 HA2 GLY 128 1HA GLY 128 23.235 -26.821 21.750 897 HA3 GLY 128 2HA GLY 128 23.897 -26.119 20.281 Start of MODEL 10 1 H1 GLY 1 H GLY 1 31.533 14.806 35.476 2 HA2 GLY 1 1HA GLY 1 31.342 13.511 32.896 3 HA3 GLY 1 2HA GLY 1 31.608 12.408 34.238 4 H SER 2 H SER 2 29.280 13.274 32.314 5 HA SER 2 HA SER 2 27.213 12.774 34.272 6 HB2 SER 2 1HB SER 2 27.701 15.363 34.008 7 HB3 SER 2 2HB SER 2 26.720 15.171 32.555 8 HG SER 2 HG SER 2 25.149 14.136 34.013 9 H SER 3 H SER 3 25.150 12.274 33.298 10 HA SER 3 HA SER 3 24.949 12.057 30.435 11 HB2 SER 3 1HB SER 3 26.342 10.077 31.014 12 HB3 SER 3 2HB SER 3 25.048 9.509 32.069 13 HG SER 3 HG SER 3 23.961 10.035 29.725 14 H GLY 4 H GLY 4 22.855 11.897 29.758 15 HA2 GLY 4 1HA GLY 4 20.605 10.918 30.354 16 HA3 GLY 4 2HA GLY 4 20.828 11.725 31.899 17 H SER 5 H SER 5 19.065 11.948 29.269 18 HA SER 5 HA SER 5 18.352 14.645 29.648 19 HB2 SER 5 1HB SER 5 20.553 14.941 28.444 20 HB3 SER 5 2HB SER 5 19.814 14.162 27.045 21 HG SER 5 HG SER 5 19.764 16.618 27.346 22 H SER 6 H SER 6 16.292 14.813 29.058 23 HA SER 6 HA SER 6 15.036 12.680 27.600 24 HB2 SER 6 1HB SER 6 12.954 14.067 27.959 25 HB3 SER 6 2HB SER 6 13.807 13.611 29.434 26 HG SER 6 HG SER 6 13.163 16.032 28.647 27 H GLY 7 H GLY 7 15.350 16.195 27.074 28 HA2 GLY 7 1HA GLY 7 15.395 17.428 25.138 29 HA3 GLY 7 2HA GLY 7 15.863 15.950 24.311 30 H HIS 8 H HIS 8 13.310 18.143 25.009 31 HA HIS 8 HA HIS 8 11.649 16.842 23.008 32 HB2 HIS 8 1HB HIS 8 9.664 16.777 24.390 33 HB3 HIS 8 2HB HIS 8 10.943 15.863 25.185 34 HD1 HIS 8 1HD HIS 8 12.266 17.326 27.108 35 HD2 HIS 8 2HD HIS 8 8.469 18.595 25.999 36 HE1 HIS 8 1HE HIS 8 11.484 18.820 28.975 37 H PHE 9 H PHE 9 9.819 18.215 22.337 38 HA PHE 9 HA PHE 9 9.785 20.971 23.141 39 HB2 PHE 9 1HB PHE 9 10.489 21.949 21.050 40 HB3 PHE 9 2HB PHE 9 11.766 20.882 21.625 41 HD1 PHE 9 1HD PHE 9 11.426 18.347 20.744 42 HD2 PHE 9 2HD PHE 9 10.055 21.882 18.809 43 HE1 PHE 9 1HE PHE 9 11.398 17.154 18.592 44 HE2 PHE 9 2HE PHE 9 10.024 20.694 16.654 45 HZ PHE 9 HZ PHE 9 10.696 18.327 16.544 46 HA PRO 10 HA PRO 10 5.670 19.791 21.763 47 HB2 PRO 10 1HB PRO 10 4.419 21.864 22.991 48 HB3 PRO 10 2HB PRO 10 4.929 20.406 23.849 49 HG2 PRO 10 1HG PRO 10 6.275 23.075 23.684 50 HG3 PRO 10 2HG PRO 10 6.050 22.020 25.092 51 HD2 PRO 10 1HD PRO 10 8.385 22.150 23.728 52 HD3 PRO 10 2HD PRO 10 7.821 20.663 24.517 53 H ALA 11 H ALA 11 3.876 21.064 20.690 54 HA ALA 11 HA ALA 11 4.360 23.571 19.496 55 HB1 ALA 11 1HB ALA 11 5.364 23.149 17.542 56 HB2 ALA 11 2HB ALA 11 5.867 21.633 18.291 57 HB3 ALA 11 3HB ALA 11 4.428 21.678 17.272 58 H ARG 12 H ARG 12 2.489 24.387 18.733 59 HA ARG 12 HA ARG 12 0.256 22.504 18.339 60 HB2 ARG 12 1HB ARG 12 0.106 25.350 19.348 61 HB3 ARG 12 2HB ARG 12 -1.245 24.240 19.162 62 HG2 ARG 12 1HG ARG 12 -0.604 22.949 20.976 63 HG3 ARG 12 2HG ARG 12 1.059 23.539 20.932 64 HD2 ARG 12 1HD ARG 12 0.503 25.557 21.933 65 HD3 ARG 12 2HD ARG 12 -1.197 25.423 21.485 66 HE ARG 12 HE ARG 12 -1.570 24.134 23.361 67 HH11 ARG 12 1HH1 ARG 12 1.847 24.614 22.898 68 HH12 ARG 12 2HH1 ARG 12 2.278 23.993 24.456 69 HH21 ARG 12 1HH2 ARG 12 -1.015 23.314 25.416 70 HH22 ARG 12 2HH2 ARG 12 0.649 23.253 25.888 71 H VAL 13 H VAL 13 0.590 22.333 16.106 72 HA VAL 13 HA VAL 13 0.367 24.789 14.524 73 HB VAL 13 HB VAL 13 0.980 23.412 12.595 74 HG11 VAL 13 1HG1 VAL 13 2.937 24.226 13.384 75 HG12 VAL 13 2HG1 VAL 13 2.668 23.599 15.012 76 HG13 VAL 13 3HG1 VAL 13 3.242 22.526 13.736 77 HG21 VAL 13 1HG2 VAL 13 1.883 21.032 13.791 78 HG22 VAL 13 2HG2 VAL 13 0.226 21.272 14.345 79 HG23 VAL 13 3HG2 VAL 13 0.580 21.226 12.618 80 H LYS 14 H LYS 14 -1.443 25.331 13.488 81 HA LYS 14 HA LYS 14 -3.914 24.305 13.956 82 HB2 LYS 14 1HB LYS 14 -4.699 25.472 11.996 83 HB3 LYS 14 2HB LYS 14 -3.441 26.433 12.762 84 HG2 LYS 14 1HG LYS 14 -2.648 24.570 10.591 85 HG3 LYS 14 2HG LYS 14 -3.507 26.049 10.156 86 HD2 LYS 14 1HD LYS 14 -1.800 27.297 11.540 87 HD3 LYS 14 2HD LYS 14 -0.887 25.788 11.619 88 HE2 LYS 14 1HE LYS 14 -1.167 25.833 9.019 89 HE3 LYS 14 2HE LYS 14 -1.446 27.554 9.276 90 HZ1 LYS 14 1HZ LYS 14 0.719 27.869 9.499 91 HZ2 LYS 14 2HZ LYS 14 0.991 26.241 9.130 92 HZ3 LYS 14 3HZ LYS 14 0.817 26.725 10.742 93 H VAL 15 H VAL 15 -5.432 23.225 12.380 94 HA VAL 15 HA VAL 15 -4.159 20.776 11.414 95 HB VAL 15 HB VAL 15 -7.083 21.425 11.818 96 HG11 VAL 15 1HG1 VAL 15 -6.881 19.803 10.069 97 HG12 VAL 15 2HG1 VAL 15 -5.711 18.868 11.002 98 HG13 VAL 15 3HG1 VAL 15 -7.390 18.967 11.536 99 HG21 VAL 15 1HG2 VAL 15 -6.403 21.184 13.969 100 HG22 VAL 15 2HG2 VAL 15 -6.579 19.474 13.574 101 HG23 VAL 15 3HG2 VAL 15 -4.986 20.229 13.532 102 H GLU 16 H GLU 16 -3.260 21.643 9.488 103 HA GLU 16 HA GLU 16 -5.140 21.653 7.280 104 HB2 GLU 16 1HB GLU 16 -3.555 24.057 8.102 105 HB3 GLU 16 2HB GLU 16 -3.875 23.773 6.397 106 HG2 GLU 16 1HG GLU 16 -6.245 23.836 6.776 107 HG3 GLU 16 2HG GLU 16 -6.001 23.948 8.518 108 HA PRO 17 HA PRO 17 -1.787 19.458 5.444 109 HB2 PRO 17 1HB PRO 17 -2.617 19.555 2.862 110 HB3 PRO 17 2HB PRO 17 -3.367 18.509 4.073 111 HG2 PRO 17 1HG PRO 17 -4.270 21.174 3.051 112 HG3 PRO 17 2HG PRO 17 -5.227 19.715 3.372 113 HD2 PRO 17 1HD PRO 17 -5.130 21.802 5.095 114 HD3 PRO 17 2HD PRO 17 -5.321 20.123 5.639 115 H ALA 18 H ALA 18 0.134 19.869 4.423 116 HA ALA 18 HA ALA 18 0.465 22.539 3.220 117 HB1 ALA 18 1HB ALA 18 2.639 22.741 4.224 118 HB2 ALA 18 2HB ALA 18 1.458 22.398 5.489 119 HB3 ALA 18 3HB ALA 18 2.520 21.118 4.905 120 H VAL 19 H VAL 19 0.074 19.688 2.181 121 HA VAL 19 HA VAL 19 2.228 19.832 0.202 122 HB VAL 19 HB VAL 19 2.888 18.142 1.904 123 HG11 VAL 19 1HG1 VAL 19 0.301 16.874 1.047 124 HG12 VAL 19 2HG1 VAL 19 1.602 15.957 1.810 125 HG13 VAL 19 3HG1 VAL 19 0.832 17.286 2.677 126 HG21 VAL 19 1HG2 VAL 19 2.235 16.693 -0.633 127 HG22 VAL 19 2HG2 VAL 19 3.368 18.045 -0.640 128 HG23 VAL 19 3HG2 VAL 19 3.699 16.622 0.348 129 H ASP 20 H ASP 20 1.751 18.684 -1.780 130 HA ASP 20 HA ASP 20 -1.043 18.892 -2.471 131 HB2 ASP 20 1HB ASP 20 1.180 17.910 -4.258 132 HB3 ASP 20 2HB ASP 20 -0.351 18.641 -4.733 133 H THR 21 H THR 21 1.407 16.309 -2.578 134 HA THR 21 HA THR 21 1.134 14.043 -2.950 135 HB THR 21 HB THR 21 -0.444 13.097 -1.085 136 HG1 THR 21 1HG THR 21 -1.456 15.169 -0.715 137 HG21 THR 21 1HG2 THR 21 1.523 14.280 0.517 138 HG22 THR 21 2HG2 THR 21 2.247 14.136 -1.085 139 HG23 THR 21 3HG2 THR 21 1.599 12.708 -0.279 140 H SER 22 H SER 22 -0.300 15.151 -4.905 141 HA SER 22 HA SER 22 -2.821 13.624 -4.900 142 HB2 SER 22 1HB SER 22 -3.398 15.958 -4.878 143 HB3 SER 22 2HB SER 22 -2.236 16.312 -6.156 144 HG SER 22 HG SER 22 -4.717 15.828 -6.525 145 H ARG 23 H ARG 23 0.215 13.856 -6.184 146 HA ARG 23 HA ARG 23 -0.607 12.387 -8.598 147 HB2 ARG 23 1HB ARG 23 1.555 14.488 -8.387 148 HB3 ARG 23 2HB ARG 23 1.342 13.427 -9.773 149 HG2 ARG 23 1HG ARG 23 -0.675 14.430 -10.382 150 HG3 ARG 23 2HG ARG 23 -0.880 15.183 -8.800 151 HD2 ARG 23 1HD ARG 23 0.913 16.713 -9.226 152 HD3 ARG 23 2HD ARG 23 1.341 15.871 -10.715 153 HE ARG 23 HE ARG 23 -0.778 17.788 -10.347 154 HH11 ARG 23 1HH1 ARG 23 0.433 15.168 -12.294 155 HH12 ARG 23 2HH1 ARG 23 -0.444 15.643 -13.711 156 HH21 ARG 23 1HH2 ARG 23 -1.938 18.423 -12.206 157 HH22 ARG 23 2HH2 ARG 23 -1.792 17.495 -13.660 158 H ILE 24 H ILE 24 0.331 11.553 -5.901 159 HA ILE 24 HA ILE 24 2.997 10.524 -6.304 160 HB ILE 24 HB ILE 24 0.978 10.162 -4.098 161 HG12 ILE 24 1HG1 ILE 24 3.636 11.580 -4.328 162 HG13 ILE 24 2HG1 ILE 24 2.056 12.305 -4.052 163 HG21 ILE 24 1HG2 ILE 24 3.455 9.199 -3.222 164 HG22 ILE 24 2HG2 ILE 24 1.981 8.273 -3.504 165 HG23 ILE 24 3HG2 ILE 24 3.174 8.444 -4.791 166 HD11 ILE 24 1HD1 ILE 24 2.202 10.671 -1.924 167 HD12 ILE 24 2HD1 ILE 24 3.912 11.031 -2.166 168 HD13 ILE 24 3HD1 ILE 24 2.760 12.344 -1.924 169 H LYS 25 H LYS 25 3.465 8.716 -7.348 170 HA LYS 25 HA LYS 25 1.358 6.683 -7.666 171 HB2 LYS 25 1HB LYS 25 3.598 7.569 -9.455 172 HB3 LYS 25 2HB LYS 25 2.920 5.955 -9.622 173 HG2 LYS 25 1HG LYS 25 1.175 8.391 -9.658 174 HG3 LYS 25 2HG LYS 25 1.995 7.815 -11.112 175 HD2 LYS 25 1HD LYS 25 0.847 5.739 -11.043 176 HD3 LYS 25 2HD LYS 25 0.241 6.052 -9.415 177 HE2 LYS 25 1HE LYS 25 -0.466 7.775 -11.778 178 HE3 LYS 25 2HE LYS 25 -1.408 6.359 -11.317 179 HZ1 LYS 25 1HZ LYS 25 -1.912 8.790 -10.405 180 HZ2 LYS 25 2HZ LYS 25 -0.839 8.275 -9.203 181 HZ3 LYS 25 3HZ LYS 25 -2.248 7.391 -9.514 182 H VAL 26 H VAL 26 1.770 4.574 -7.165 183 HA VAL 26 HA VAL 26 4.438 3.957 -6.075 184 HB VAL 26 HB VAL 26 3.332 2.472 -4.424 185 HG11 VAL 26 1HG1 VAL 26 3.055 4.137 -2.873 186 HG12 VAL 26 2HG1 VAL 26 3.912 5.020 -4.138 187 HG13 VAL 26 3HG1 VAL 26 2.162 5.175 -3.984 188 HG21 VAL 26 1HG2 VAL 26 0.876 2.980 -3.992 189 HG22 VAL 26 2HG2 VAL 26 0.849 3.683 -5.610 190 HG23 VAL 26 3HG2 VAL 26 1.245 1.978 -5.396 191 H PHE 27 H PHE 27 5.382 2.176 -6.850 192 HA PHE 27 HA PHE 27 3.712 0.187 -8.231 193 HB2 PHE 27 1HB PHE 27 5.806 -0.037 -9.782 194 HB3 PHE 27 2HB PHE 27 4.637 1.246 -10.076 195 HD1 PHE 27 2HD PHE 27 7.979 0.471 -8.765 196 HD2 PHE 27 1HD PHE 27 5.214 3.541 -9.787 197 HE1 PHE 27 2HE PHE 27 9.778 2.141 -8.601 198 HE2 PHE 27 1HE PHE 27 7.009 5.216 -9.626 199 HZ PHE 27 HZ PHE 27 9.294 4.517 -9.030 200 H GLY 28 H GLY 28 4.287 -1.934 -7.965 201 HA2 GLY 28 1HA GLY 28 6.407 -3.331 -7.447 202 HA3 GLY 28 2HA GLY 28 6.365 -2.423 -5.943 203 HA PRO 29 HA PRO 29 3.679 -6.351 -5.829 204 HB2 PRO 29 1HB PRO 29 5.307 -7.893 -4.298 205 HB3 PRO 29 2HB PRO 29 5.369 -7.890 -6.065 206 HG2 PRO 29 1HG PRO 29 7.122 -6.459 -4.104 207 HG3 PRO 29 2HG PRO 29 7.574 -7.333 -5.580 208 HD2 PRO 29 1HD PRO 29 7.384 -4.633 -5.485 209 HD3 PRO 29 2HD PRO 29 7.011 -5.566 -6.949 210 H GLY 30 H GLY 30 5.802 -4.926 -3.358 211 HA2 GLY 30 1HA GLY 30 4.425 -5.689 -1.074 212 HA3 GLY 30 2HA GLY 30 5.358 -4.207 -1.223 213 H ILE 31 H ILE 31 3.502 -3.395 -3.486 214 HA ILE 31 HA ILE 31 1.279 -2.498 -1.771 215 HB ILE 31 HB ILE 31 2.883 -0.719 -2.557 216 HG12 ILE 31 1HG1 ILE 31 1.029 0.822 -3.314 217 HG13 ILE 31 2HG1 ILE 31 -0.032 -0.582 -3.345 218 HG21 ILE 31 1HG2 ILE 31 3.179 -1.758 -4.828 219 HG22 ILE 31 2HG2 ILE 31 1.582 -1.132 -5.239 220 HG23 ILE 31 3HG2 ILE 31 2.886 -0.019 -4.827 221 HD11 ILE 31 1HD1 ILE 31 -0.418 -0.376 -1.181 222 HD12 ILE 31 2HD1 ILE 31 1.308 -0.454 -0.825 223 HD13 ILE 31 3HD1 ILE 31 0.549 1.098 -1.181 224 H GLU 32 H GLU 32 2.180 -4.076 -4.690 225 HA GLU 32 HA GLU 32 -0.451 -3.831 -5.892 226 HB2 GLU 32 1HB GLU 32 2.064 -5.267 -6.738 227 HB3 GLU 32 2HB GLU 32 0.557 -5.363 -7.637 228 HG2 GLU 32 1HG GLU 32 1.681 -2.685 -6.992 229 HG3 GLU 32 2HG GLU 32 2.410 -3.636 -8.286 230 H GLY 33 H GLY 33 1.617 -6.463 -4.666 231 HA2 GLY 33 1HA GLY 33 0.649 -8.131 -3.192 232 HA3 GLY 33 2HA GLY 33 -0.850 -7.979 -4.096 233 H LYS 34 H LYS 34 2.509 -8.415 -5.178 234 HA LYS 34 HA LYS 34 1.605 -10.674 -6.812 235 HB2 LYS 34 1HB LYS 34 4.315 -9.373 -6.958 236 HB3 LYS 34 2HB LYS 34 3.487 -10.316 -8.191 237 HG2 LYS 34 1HG LYS 34 2.605 -7.603 -7.227 238 HG3 LYS 34 2HG LYS 34 3.556 -7.900 -8.684 239 HD2 LYS 34 1HD LYS 34 0.992 -9.374 -8.330 240 HD3 LYS 34 2HD LYS 34 0.930 -7.669 -8.782 241 HE2 LYS 34 1HE LYS 34 2.398 -8.144 -10.697 242 HE3 LYS 34 2HE LYS 34 2.409 -9.850 -10.252 243 HZ1 LYS 34 1HZ LYS 34 -0.195 -8.585 -10.622 244 HZ2 LYS 34 2HZ LYS 34 0.308 -10.155 -11.000 245 HZ3 LYS 34 3HZ LYS 34 0.725 -8.866 -12.014 246 H ASP 35 H ASP 35 4.677 -9.916 -5.174 247 HA ASP 35 HA ASP 35 4.818 -12.729 -4.332 248 HB2 ASP 35 1HB ASP 35 7.121 -10.788 -4.309 249 HB3 ASP 35 2HB ASP 35 7.172 -12.549 -4.318 250 H VAL 36 H VAL 36 3.231 -10.761 -2.937 251 HA VAL 36 HA VAL 36 4.726 -10.133 -0.523 252 HB VAL 36 HB VAL 36 1.811 -9.648 -1.156 253 HG11 VAL 36 1HG1 VAL 36 1.815 -9.458 1.112 254 HG12 VAL 36 2HG1 VAL 36 3.532 -9.060 1.189 255 HG13 VAL 36 3HG1 VAL 36 2.362 -7.833 0.701 256 HG21 VAL 36 1HG2 VAL 36 2.586 -8.072 -2.532 257 HG22 VAL 36 2HG2 VAL 36 3.122 -7.215 -1.087 258 HG23 VAL 36 3HG2 VAL 36 4.240 -8.268 -1.953 259 H PHE 37 H PHE 37 3.721 -12.917 -1.546 260 HA PHE 37 HA PHE 37 1.842 -14.078 0.008 261 HB2 PHE 37 1HB PHE 37 4.507 -15.436 -0.292 262 HB3 PHE 37 2HB PHE 37 2.897 -16.146 -0.343 263 HD1 PHE 37 1HD PHE 37 1.396 -14.885 -2.285 264 HD2 PHE 37 2HD PHE 37 5.608 -15.499 -2.291 265 HE1 PHE 37 1HE PHE 37 1.411 -14.742 -4.741 266 HE2 PHE 37 2HE PHE 37 5.629 -15.356 -4.747 267 HZ PHE 37 HZ PHE 37 3.529 -14.976 -5.975 268 H ARG 38 H ARG 38 1.943 -15.358 1.989 269 HA ARG 38 HA ARG 38 2.789 -13.884 4.192 270 HB2 ARG 38 1HB ARG 38 1.054 -15.751 4.102 271 HB3 ARG 38 2HB ARG 38 2.403 -16.873 4.220 272 HG2 ARG 38 1HG ARG 38 3.033 -15.942 6.363 273 HG3 ARG 38 2HG ARG 38 1.752 -14.735 6.238 274 HD2 ARG 38 1HD ARG 38 0.065 -16.323 6.511 275 HD3 ARG 38 2HD ARG 38 1.133 -17.663 6.096 276 HE ARG 38 HE ARG 38 1.991 -16.334 8.461 277 HH11 ARG 38 1HH1 ARG 38 -0.335 -18.616 7.235 278 HH12 ARG 38 2HH1 ARG 38 -0.529 -19.432 8.752 279 HH21 ARG 38 1HH2 ARG 38 1.744 -17.399 10.463 280 HH22 ARG 38 2HH2 ARG 38 0.653 -18.738 10.587 281 H GLU 39 H GLU 39 4.570 -13.900 5.485 282 HA GLU 39 HA GLU 39 6.745 -14.173 6.092 283 HB2 GLU 39 1HB GLU 39 6.150 -16.935 5.038 284 HB3 GLU 39 2HB GLU 39 7.698 -16.512 5.757 285 HG2 GLU 39 1HG GLU 39 5.091 -16.126 7.193 286 HG3 GLU 39 2HG GLU 39 6.009 -17.629 7.265 287 H ALA 40 H ALA 40 6.252 -12.953 3.604 288 HA ALA 40 HA ALA 40 8.675 -13.746 2.127 289 HB1 ALA 40 1HB ALA 40 6.195 -14.060 1.116 290 HB2 ALA 40 2HB ALA 40 6.554 -12.420 0.574 291 HB3 ALA 40 3HB ALA 40 7.627 -13.749 0.134 292 H THR 41 H THR 41 10.045 -12.137 1.530 293 HA THR 41 HA THR 41 9.652 -9.554 2.760 294 HB THR 41 HB THR 41 11.954 -10.520 1.052 295 HG1 THR 41 1HG THR 41 12.878 -10.565 3.342 296 HG21 THR 41 1HG2 THR 41 11.304 -7.954 2.169 297 HG22 THR 41 2HG2 THR 41 12.682 -8.417 1.169 298 HG23 THR 41 3HG2 THR 41 12.768 -8.584 2.922 299 H THR 42 H THR 42 8.218 -8.288 1.712 300 HA THR 42 HA THR 42 8.727 -7.762 -1.143 301 HB THR 42 HB THR 42 6.560 -8.996 -0.641 302 HG1 THR 42 1HG THR 42 6.724 -6.532 -2.018 303 HG21 THR 42 1HG2 THR 42 5.705 -6.289 0.386 304 HG22 THR 42 2HG2 THR 42 6.022 -7.690 1.411 305 HG23 THR 42 3HG2 THR 42 4.706 -7.734 0.238 306 H ASP 43 H ASP 43 8.573 -5.636 -1.849 307 HA ASP 43 HA ASP 43 7.901 -3.544 0.052 308 HB2 ASP 43 1HB ASP 43 10.019 -2.385 -0.133 309 HB3 ASP 43 2HB ASP 43 10.310 -4.021 0.452 310 H PHE 44 H PHE 44 7.704 -1.441 -0.940 311 HA PHE 44 HA PHE 44 7.389 -1.577 -3.867 312 HB2 PHE 44 1HB PHE 44 5.500 0.040 -3.590 313 HB3 PHE 44 2HB PHE 44 5.193 -1.541 -2.881 314 HD1 PHE 44 2HD PHE 44 5.363 -1.827 -0.410 315 HD2 PHE 44 1HD PHE 44 5.497 1.995 -2.279 316 HE1 PHE 44 2HE PHE 44 4.839 -0.760 1.744 317 HE2 PHE 44 1HE PHE 44 4.974 3.069 -0.127 318 HZ PHE 44 HZ PHE 44 4.643 1.691 1.887 319 H THR 45 H THR 45 7.180 0.763 -4.778 320 HA THR 45 HA THR 45 9.190 2.478 -3.474 321 HB THR 45 HB THR 45 8.939 2.088 -6.461 322 HG1 THR 45 1HG THR 45 10.902 0.908 -6.225 323 HG21 THR 45 1HG2 THR 45 11.201 3.355 -4.933 324 HG22 THR 45 2HG2 THR 45 9.824 4.287 -5.520 325 HG23 THR 45 3HG2 THR 45 10.864 3.436 -6.662 326 H VAL 46 H VAL 46 8.624 4.550 -3.227 327 HA VAL 46 HA VAL 46 6.120 5.444 -4.479 328 HB VAL 46 HB VAL 46 7.569 6.451 -2.030 329 HG11 VAL 46 1HG1 VAL 46 5.103 7.522 -3.392 330 HG12 VAL 46 2HG1 VAL 46 5.612 7.966 -1.762 331 HG13 VAL 46 3HG1 VAL 46 6.635 8.359 -3.144 332 HG21 VAL 46 1HG2 VAL 46 4.794 5.698 -1.728 333 HG22 VAL 46 2HG2 VAL 46 5.761 4.365 -2.360 334 HG23 VAL 46 3HG2 VAL 46 6.214 5.141 -0.842 335 H ASP 47 H ASP 47 6.199 6.878 -6.068 336 HA ASP 47 HA ASP 47 8.694 8.351 -6.521 337 HB2 ASP 47 1HB ASP 47 7.387 6.874 -8.291 338 HB3 ASP 47 2HB ASP 47 6.459 8.356 -8.500 339 H SER 48 H SER 48 8.789 10.374 -5.832 340 HA SER 48 HA SER 48 6.356 12.025 -5.962 341 HB2 SER 48 1HB SER 48 8.391 12.179 -3.730 342 HB3 SER 48 2HB SER 48 6.851 13.032 -3.834 343 HG SER 48 HG SER 48 7.364 10.570 -2.879 344 H ARG 49 H ARG 49 6.614 13.879 -7.022 345 HA ARG 49 HA ARG 49 9.353 14.747 -7.645 346 HB2 ARG 49 1HB ARG 49 6.816 14.719 -9.155 347 HB3 ARG 49 2HB ARG 49 7.797 16.164 -9.359 348 HG2 ARG 49 1HG ARG 49 9.585 14.962 -10.267 349 HG3 ARG 49 2HG ARG 49 8.959 13.420 -9.681 350 HD2 ARG 49 1HD ARG 49 8.296 13.241 -11.843 351 HD3 ARG 49 2HD ARG 49 6.907 14.134 -11.225 352 HE ARG 49 HE ARG 49 8.958 15.113 -13.013 353 HH11 ARG 49 1HH1 ARG 49 6.368 15.920 -10.831 354 HH12 ARG 49 2HH1 ARG 49 6.100 17.487 -11.521 355 HH21 ARG 49 1HH2 ARG 49 8.616 17.174 -13.930 356 HH22 ARG 49 2HH2 ARG 49 7.379 18.198 -13.284 357 HA PRO 50 HA PRO 50 7.246 18.929 -6.633 358 HB2 PRO 50 1HB PRO 50 4.572 18.961 -6.166 359 HB3 PRO 50 2HB PRO 50 5.267 19.117 -7.784 360 HG2 PRO 50 1HG PRO 50 4.107 16.704 -6.444 361 HG3 PRO 50 2HG PRO 50 3.889 17.272 -8.110 362 HD2 PRO 50 1HD PRO 50 5.595 15.271 -7.465 363 HD3 PRO 50 2HD PRO 50 5.902 16.392 -8.807 364 H LEU 51 H LEU 51 7.449 16.276 -4.907 365 HA LEU 51 HA LEU 51 6.545 17.536 -2.402 366 HB2 LEU 51 1HB LEU 51 7.009 14.596 -2.653 367 HB3 LEU 51 2HB LEU 51 5.993 15.471 -1.510 368 HG LEU 51 HG LEU 51 5.399 14.920 -4.414 369 HD11 LEU 51 1HD1 LEU 51 3.513 13.655 -3.497 370 HD12 LEU 51 2HD1 LEU 51 4.083 13.996 -1.864 371 HD13 LEU 51 3HD1 LEU 51 5.061 13.010 -2.951 372 HD21 LEU 51 1HD2 LEU 51 4.690 17.204 -3.344 373 HD22 LEU 51 2HD2 LEU 51 3.462 16.215 -2.554 374 HD23 LEU 51 3HD2 LEU 51 3.549 16.275 -4.315 375 H THR 52 H THR 52 8.993 15.369 -3.798 376 HA THR 52 HA THR 52 10.941 16.488 -1.899 377 HB THR 52 HB THR 52 10.223 14.212 -1.155 378 HG1 THR 52 1HG THR 52 12.446 13.438 -1.012 379 HG21 THR 52 1HG2 THR 52 11.715 13.145 -3.535 380 HG22 THR 52 2HG2 THR 52 9.970 13.400 -3.578 381 HG23 THR 52 3HG2 THR 52 10.670 12.281 -2.408 382 H GLN 53 H GLN 53 13.237 15.930 -2.597 383 HA GLN 53 HA GLN 53 13.474 15.811 -5.521 384 HB2 GLN 53 1HB GLN 53 14.936 17.781 -3.754 385 HB3 GLN 53 2HB GLN 53 15.129 17.610 -5.493 386 HG2 GLN 53 1HG GLN 53 12.548 18.374 -4.152 387 HG3 GLN 53 2HG GLN 53 13.717 19.530 -4.788 388 HE21 GLN 53 1HE2 GLN 53 11.028 17.657 -5.472 389 HE22 GLN 53 2HE2 GLN 53 11.024 17.826 -7.191 390 H VAL 54 H VAL 54 15.104 15.584 -2.391 391 HA VAL 54 HA VAL 54 16.927 13.599 -3.579 392 HB VAL 54 HB VAL 54 18.731 14.353 -2.148 393 HG11 VAL 54 1HG1 VAL 54 18.417 16.971 -3.071 394 HG12 VAL 54 2HG1 VAL 54 19.239 15.641 -3.888 395 HG13 VAL 54 3HG1 VAL 54 17.535 15.962 -4.216 396 HG21 VAL 54 1HG2 VAL 54 17.537 16.858 -1.279 397 HG22 VAL 54 2HG2 VAL 54 16.736 15.447 -0.586 398 HG23 VAL 54 3HG2 VAL 54 18.471 15.673 -0.365 399 H GLY 55 H GLY 55 14.484 12.978 -2.340 400 HA2 GLY 55 1HA GLY 55 13.805 11.276 -0.918 401 HA3 GLY 55 2HA GLY 55 15.437 11.208 -0.270 402 H GLY 56 H GLY 56 13.411 10.938 1.477 403 HA2 GLY 56 1HA GLY 56 13.826 13.188 3.216 404 HA3 GLY 56 2HA GLY 56 12.177 13.090 2.616 405 H ASP 57 H ASP 57 12.515 12.958 5.272 406 HA ASP 57 HA ASP 57 12.135 10.099 5.883 407 HB2 ASP 57 1HB ASP 57 13.405 12.280 7.533 408 HB3 ASP 57 2HB ASP 57 12.830 10.777 8.250 409 H HIS 58 H HIS 58 10.044 11.700 4.966 410 HA HIS 58 HA HIS 58 8.433 12.063 7.408 411 HB2 HIS 58 1HB HIS 58 8.604 13.645 4.891 412 HB3 HIS 58 2HB HIS 58 7.023 13.497 5.653 413 HD1 HIS 58 1HD HIS 58 6.550 15.400 7.138 414 HD2 HIS 58 2HD HIS 58 10.601 14.479 7.074 415 HE1 HIS 58 1HE HIS 58 7.643 17.066 8.673 416 H ILE 59 H ILE 59 8.896 9.636 5.752 417 HA ILE 59 HA ILE 59 6.162 9.178 4.765 418 HB ILE 59 HB ILE 59 8.727 7.713 4.147 419 HG12 ILE 59 1HG1 ILE 59 8.381 9.887 2.997 420 HG13 ILE 59 2HG1 ILE 59 8.384 8.524 1.883 421 HG21 ILE 59 1HG2 ILE 59 6.090 6.704 4.156 422 HG22 ILE 59 2HG2 ILE 59 6.561 6.923 2.471 423 HG23 ILE 59 3HG2 ILE 59 7.552 5.932 3.542 424 HD11 ILE 59 1HD1 ILE 59 5.713 8.927 2.666 425 HD12 ILE 59 2HD1 ILE 59 6.389 10.511 2.284 426 HD13 ILE 59 3HD1 ILE 59 6.446 9.216 1.089 427 H LYS 60 H LYS 60 4.887 7.662 5.669 428 HA LYS 60 HA LYS 60 6.021 5.674 7.469 429 HB2 LYS 60 1HB LYS 60 5.624 7.441 9.025 430 HB3 LYS 60 2HB LYS 60 4.044 7.784 8.332 431 HG2 LYS 60 1HG LYS 60 3.745 6.646 10.414 432 HG3 LYS 60 2HG LYS 60 3.274 5.560 9.105 433 HD2 LYS 60 1HD LYS 60 4.547 4.140 10.377 434 HD3 LYS 60 2HD LYS 60 5.783 4.783 9.293 435 HE2 LYS 60 1HE LYS 60 6.211 6.544 11.074 436 HE3 LYS 60 2HE LYS 60 5.217 5.557 12.144 437 HZ1 LYS 60 1HZ LYS 60 6.909 4.190 12.493 438 HZ2 LYS 60 2HZ LYS 60 7.909 5.266 11.655 439 HZ3 LYS 60 3HZ LYS 60 7.181 3.976 10.837 440 H ALA 61 H ALA 61 4.845 3.811 7.570 441 HA ALA 61 HA ALA 61 2.230 3.789 6.218 442 HB1 ALA 61 1HB ALA 61 4.206 2.902 4.839 443 HB2 ALA 61 2HB ALA 61 4.166 1.518 5.932 444 HB3 ALA 61 3HB ALA 61 2.754 1.906 4.948 445 H HIS 62 H HIS 62 0.836 2.008 6.821 446 HA HIS 62 HA HIS 62 1.548 0.532 9.228 447 HB2 HIS 62 1HB HIS 62 0.547 2.717 9.967 448 HB3 HIS 62 2HB HIS 62 -0.942 2.243 9.155 449 HD1 HIS 62 1HD HIS 62 0.720 2.062 12.347 450 HD2 HIS 62 2HD HIS 62 -2.024 -0.280 10.288 451 HE1 HIS 62 1HE HIS 62 -0.338 0.583 14.084 452 H ILE 63 H ILE 63 1.201 -1.474 8.507 453 HA ILE 63 HA ILE 63 -0.964 -2.073 6.688 454 HB ILE 63 HB ILE 63 1.039 -3.904 8.014 455 HG12 ILE 63 1HG1 ILE 63 0.981 -3.138 5.109 456 HG13 ILE 63 2HG1 ILE 63 1.775 -2.101 6.289 457 HG21 ILE 63 1HG2 ILE 63 -1.374 -4.470 6.572 458 HG22 ILE 63 2HG2 ILE 63 0.022 -5.057 5.669 459 HG23 ILE 63 3HG2 ILE 63 -0.238 -5.586 7.331 460 HD11 ILE 63 1HD1 ILE 63 3.145 -3.873 4.993 461 HD12 ILE 63 2HD1 ILE 63 3.431 -3.639 6.718 462 HD13 ILE 63 3HD1 ILE 63 2.458 -5.000 6.162 463 H ALA 64 H ALA 64 -2.770 -3.302 7.113 464 HA ALA 64 HA ALA 64 -3.263 -4.013 9.927 465 HB1 ALA 64 1HB ALA 64 -4.506 -2.036 9.659 466 HB2 ALA 64 2HB ALA 64 -5.069 -2.509 8.056 467 HB3 ALA 64 3HB ALA 64 -5.675 -3.345 9.486 468 H ASN 65 H ASN 65 -3.141 -6.187 9.814 469 HA ASN 65 HA ASN 65 -3.942 -7.756 7.618 470 HB2 ASN 65 1HB ASN 65 -3.380 -8.378 10.508 471 HB3 ASN 65 2HB ASN 65 -3.937 -9.629 9.401 472 HD21 ASN 65 1HD2 ASN 65 -1.478 -9.689 10.721 473 HD22 ASN 65 2HD2 ASN 65 -0.220 -9.574 9.542 474 HA PRO 66 HA PRO 66 -8.294 -8.150 8.034 475 HB2 PRO 66 1HB PRO 66 -8.681 -10.721 7.252 476 HB3 PRO 66 2HB PRO 66 -8.246 -9.429 6.126 477 HG2 PRO 66 1HG PRO 66 -6.499 -11.500 7.401 478 HG3 PRO 66 2HG PRO 66 -6.507 -10.920 5.725 479 HD2 PRO 66 1HD PRO 66 -4.702 -10.065 7.554 480 HD3 PRO 66 2HD PRO 66 -5.296 -9.028 6.241 481 H SER 67 H SER 67 -6.185 -9.714 10.085 482 HA SER 67 HA SER 67 -8.326 -11.051 11.587 483 HB2 SER 67 1HB SER 67 -5.344 -11.386 11.503 484 HB3 SER 67 2HB SER 67 -6.252 -11.924 12.916 485 HG SER 67 HG SER 67 -6.744 -13.624 11.806 486 H GLY 68 H GLY 68 -6.132 -8.382 11.654 487 HA2 GLY 68 1HA GLY 68 -6.995 -6.580 13.195 488 HA3 GLY 68 2HA GLY 68 -6.916 -7.813 14.445 489 H ALA 69 H ALA 69 -4.397 -8.881 13.205 490 HA ALA 69 HA ALA 69 -2.566 -7.451 14.810 491 HB1 ALA 69 1HB ALA 69 -2.347 -9.846 14.189 492 HB2 ALA 69 2HB ALA 69 -1.914 -9.342 12.555 493 HB3 ALA 69 3HB ALA 69 -0.880 -8.907 13.916 494 H SER 70 H SER 70 -0.364 -6.770 13.734 495 HA SER 70 HA SER 70 -0.818 -5.229 11.290 496 HB2 SER 70 1HB SER 70 0.065 -3.180 12.276 497 HB3 SER 70 2HB SER 70 -1.349 -3.718 13.182 498 HG SER 70 HG SER 70 0.061 -3.364 14.760 499 H THR 71 H THR 71 0.872 -5.315 9.955 500 HA THR 71 HA THR 71 3.301 -6.633 10.873 501 HB THR 71 HB THR 71 2.599 -5.764 8.064 502 HG1 THR 71 1HG THR 71 1.183 -7.334 8.225 503 HG21 THR 71 1HG2 THR 71 4.375 -8.064 8.655 504 HG22 THR 71 2HG2 THR 71 5.026 -6.451 8.948 505 HG23 THR 71 3HG2 THR 71 4.443 -6.890 7.342 506 H GLU 72 H GLU 72 5.149 -5.612 11.295 507 HA GLU 72 HA GLU 72 5.369 -2.842 11.443 508 HB2 GLU 72 1HB GLU 72 6.803 -4.639 12.575 509 HB3 GLU 72 2HB GLU 72 7.737 -4.668 11.086 510 HG2 GLU 72 1HG GLU 72 8.968 -3.168 12.246 511 HG3 GLU 72 2HG GLU 72 7.810 -2.059 11.513 512 H CYS 73 H CYS 73 6.626 -1.341 10.231 513 HA CYS 73 HA CYS 73 6.984 -2.106 7.408 514 HB2 CYS 73 1HB CYS 73 6.404 0.222 6.817 515 HB3 CYS 73 2HB CYS 73 5.085 -0.602 7.639 516 HG CYS 73 HG CYS 73 4.749 1.209 9.415 517 H PHE 74 H PHE 74 8.805 -1.401 6.347 518 HA PHE 74 HA PHE 74 10.818 -0.031 8.006 519 HB2 PHE 74 1HB PHE 74 11.259 -2.207 5.951 520 HB3 PHE 74 2HB PHE 74 12.540 -1.335 6.788 521 HD1 PHE 74 1HD PHE 74 9.421 -3.190 7.673 522 HD2 PHE 74 2HD PHE 74 13.518 -2.429 8.540 523 HE1 PHE 74 1HE PHE 74 9.335 -4.831 9.504 524 HE2 PHE 74 2HE PHE 74 13.439 -4.069 10.372 525 HZ PHE 74 HZ PHE 74 11.345 -5.274 10.856 526 H VAL 75 H VAL 75 10.593 2.019 7.231 527 HA VAL 75 HA VAL 75 10.360 2.572 4.418 528 HB VAL 75 HB VAL 75 10.859 4.449 6.733 529 HG11 VAL 75 1HG1 VAL 75 9.726 5.314 4.117 530 HG12 VAL 75 2HG1 VAL 75 10.629 6.241 5.317 531 HG13 VAL 75 3HG1 VAL 75 11.470 5.102 4.265 532 HG21 VAL 75 1HG2 VAL 75 8.389 5.013 6.145 533 HG22 VAL 75 2HG2 VAL 75 8.383 3.404 5.422 534 HG23 VAL 75 3HG2 VAL 75 8.747 3.599 7.137 535 H THR 76 H THR 76 11.944 2.934 3.004 536 HA THR 76 HA THR 76 14.624 3.607 4.001 537 HB THR 76 HB THR 76 14.036 1.476 1.936 538 HG1 THR 76 1HG THR 76 14.682 1.447 4.652 539 HG21 THR 76 1HG2 THR 76 16.715 2.343 3.019 540 HG22 THR 76 2HG2 THR 76 16.059 2.885 1.474 541 HG23 THR 76 3HG2 THR 76 16.402 1.176 1.735 542 H ASP 77 H ASP 77 14.923 5.594 3.206 543 HA ASP 77 HA ASP 77 13.922 6.298 0.567 544 HB2 ASP 77 1HB ASP 77 13.548 8.008 2.142 545 HB3 ASP 77 2HB ASP 77 15.169 7.860 2.817 546 H ASN 78 H ASN 78 15.120 6.428 -1.227 547 HA ASN 78 HA ASN 78 17.883 5.586 -1.113 548 HB2 ASN 78 1HB ASN 78 16.050 6.253 -3.422 549 HB3 ASN 78 2HB ASN 78 17.721 5.734 -3.622 550 HD21 ASN 78 1HD2 ASN 78 14.533 4.791 -2.567 551 HD22 ASN 78 2HD2 ASN 78 14.806 3.086 -2.623 552 H ALA 79 H ALA 79 16.912 8.298 -0.146 553 HA ALA 79 HA ALA 79 17.460 10.525 -0.328 554 HB1 ALA 79 1HB ALA 79 19.708 8.900 0.132 555 HB2 ALA 79 2HB ALA 79 20.224 10.168 -0.980 556 HB3 ALA 79 3HB ALA 79 19.489 10.596 0.565 557 H ASP 80 H ASP 80 16.593 9.312 -2.849 558 HA ASP 80 HA ASP 80 18.064 11.042 -4.729 559 HB2 ASP 80 1HB ASP 80 18.249 8.565 -5.153 560 HB3 ASP 80 2HB ASP 80 16.513 8.551 -5.452 561 H GLY 81 H GLY 81 14.961 10.012 -3.513 562 HA2 GLY 81 1HA GLY 81 13.476 12.180 -3.751 563 HA3 GLY 81 2HA GLY 81 13.538 11.691 -5.438 564 H THR 82 H THR 82 13.651 8.810 -4.335 565 HA THR 82 HA THR 82 10.738 8.557 -3.972 566 HB THR 82 HB THR 82 10.957 6.277 -4.894 567 HG1 THR 82 1HG THR 82 13.005 5.629 -4.597 568 HG21 THR 82 1HG2 THR 82 11.374 8.747 -6.332 569 HG22 THR 82 2HG2 THR 82 10.408 7.340 -6.778 570 HG23 THR 82 3HG2 THR 82 12.125 7.392 -7.174 571 H TYR 83 H TYR 83 10.081 6.539 -2.773 572 HA TYR 83 HA TYR 83 11.939 6.018 -0.545 573 HB2 TYR 83 1HB TYR 83 8.929 6.116 -0.315 574 HB3 TYR 83 2HB TYR 83 10.098 5.992 0.995 575 HD1 TYR 83 2HD TYR 83 11.496 7.954 1.591 576 HD2 TYR 83 1HD TYR 83 8.358 8.227 -1.270 577 HE1 TYR 83 2HE TYR 83 11.521 10.404 1.805 578 HE2 TYR 83 1HE TYR 83 8.375 10.678 -1.064 579 HH TYR 83 HH TYR 83 9.735 12.456 -0.344 580 H GLN 84 H GLN 84 11.952 3.939 0.333 581 HA GLN 84 HA GLN 84 10.479 1.900 -1.196 582 HB2 GLN 84 1HB GLN 84 12.900 2.035 -1.831 583 HB3 GLN 84 2HB GLN 84 13.307 1.604 -0.176 584 HG2 GLN 84 1HG GLN 84 13.435 -0.425 -1.234 585 HG3 GLN 84 2HG GLN 84 11.785 -0.451 -0.613 586 HE21 GLN 84 1HE2 GLN 84 10.533 -1.429 -2.027 587 HE22 GLN 84 2HE2 GLN 84 10.538 -1.181 -3.736 588 H VAL 85 H VAL 85 9.014 1.119 0.178 589 HA VAL 85 HA VAL 85 9.773 0.693 2.983 590 HB VAL 85 HB VAL 85 7.027 0.715 1.721 591 HG11 VAL 85 1HG1 VAL 85 6.130 0.527 3.919 592 HG12 VAL 85 2HG1 VAL 85 7.312 -0.769 3.725 593 HG13 VAL 85 3HG1 VAL 85 7.728 0.674 4.650 594 HG21 VAL 85 1HG2 VAL 85 7.174 2.928 1.869 595 HG22 VAL 85 2HG2 VAL 85 7.265 2.752 3.622 596 HG23 VAL 85 3HG2 VAL 85 8.744 2.824 2.665 597 H GLU 86 H GLU 86 10.230 -1.292 3.648 598 HA GLU 86 HA GLU 86 9.207 -3.568 2.080 599 HB2 GLU 86 1HB GLU 86 11.617 -3.412 1.910 600 HB3 GLU 86 2HB GLU 86 11.770 -3.310 3.658 601 HG2 GLU 86 1HG GLU 86 10.546 -5.627 3.584 602 HG3 GLU 86 2HG GLU 86 11.179 -5.662 1.939 603 H TYR 87 H TYR 87 8.120 -5.160 3.103 604 HA TYR 87 HA TYR 87 8.196 -5.383 5.996 605 HB2 TYR 87 1HB TYR 87 5.872 -5.026 6.370 606 HB3 TYR 87 2HB TYR 87 6.437 -3.652 5.425 607 HD1 TYR 87 2HD TYR 87 4.551 -6.827 5.252 608 HD2 TYR 87 1HD TYR 87 5.547 -3.195 3.271 609 HE1 TYR 87 2HE TYR 87 2.799 -7.264 3.582 610 HE2 TYR 87 1HE TYR 87 3.797 -3.621 1.596 611 HH TYR 87 HH TYR 87 2.217 -5.010 0.896 612 H THR 88 H THR 88 7.343 -7.350 6.781 613 HA THR 88 HA THR 88 6.818 -9.363 4.691 614 HB THR 88 HB THR 88 8.142 -9.957 7.336 615 HG1 THR 88 1HG THR 88 9.440 -9.636 4.821 616 HG21 THR 88 1HG2 THR 88 6.953 -11.725 5.830 617 HG22 THR 88 2HG2 THR 88 8.545 -12.079 6.502 618 HG23 THR 88 3HG2 THR 88 8.391 -11.561 4.823 619 HA PRO 89 HA PRO 89 3.006 -9.451 7.137 620 HB2 PRO 89 1HB PRO 89 1.553 -10.699 5.213 621 HB3 PRO 89 2HB PRO 89 1.863 -8.959 5.206 622 HG2 PRO 89 1HG PRO 89 3.242 -11.135 3.680 623 HG3 PRO 89 2HG PRO 89 2.724 -9.533 3.123 624 HD2 PRO 89 1HD PRO 89 5.289 -10.083 3.792 625 HD3 PRO 89 2HD PRO 89 4.561 -8.483 4.036 626 H PHE 90 H PHE 90 2.699 -10.962 8.637 627 HA PHE 90 HA PHE 90 3.498 -13.723 8.069 628 HB2 PHE 90 1HB PHE 90 3.167 -13.937 10.618 629 HB3 PHE 90 2HB PHE 90 4.543 -13.001 10.042 630 HD1 PHE 90 1HD PHE 90 1.092 -12.710 11.351 631 HD2 PHE 90 2HD PHE 90 4.805 -10.754 10.640 632 HE1 PHE 90 1HE PHE 90 0.327 -10.783 12.676 633 HE2 PHE 90 2HE PHE 90 4.047 -8.825 11.965 634 HZ PHE 90 HZ PHE 90 1.806 -8.838 12.985 635 H GLU 91 H GLU 91 1.054 -12.685 6.979 636 HA GLU 91 HA GLU 91 -0.740 -14.726 7.931 637 HB2 GLU 91 1HB GLU 91 -1.233 -11.828 8.475 638 HB3 GLU 91 2HB GLU 91 -2.600 -12.869 8.104 639 HG2 GLU 91 1HG GLU 91 -1.722 -14.389 9.953 640 HG3 GLU 91 2HG GLU 91 -0.706 -13.027 10.420 641 H LYS 92 H LYS 92 -1.891 -15.507 6.280 642 HA LYS 92 HA LYS 92 -1.643 -14.254 3.689 643 HB2 LYS 92 1HB LYS 92 -2.905 -16.836 4.614 644 HB3 LYS 92 2HB LYS 92 -2.947 -16.296 2.940 645 HG2 LYS 92 1HG LYS 92 -0.474 -16.271 2.929 646 HG3 LYS 92 2HG LYS 92 -0.493 -16.930 4.566 647 HD2 LYS 92 1HD LYS 92 -2.053 -18.347 2.468 648 HD3 LYS 92 2HD LYS 92 -0.294 -18.489 2.432 649 HE2 LYS 92 1HE LYS 92 -1.269 -20.309 3.711 650 HE3 LYS 92 2HE LYS 92 -0.320 -19.258 4.761 651 HZ1 LYS 92 1HZ LYS 92 -2.575 -19.996 5.602 652 HZ2 LYS 92 2HZ LYS 92 -3.245 -18.938 4.464 653 HZ3 LYS 92 3HZ LYS 92 -2.242 -18.339 5.688 654 H GLY 93 H GLY 93 -2.927 -12.516 3.405 655 HA2 GLY 93 1HA GLY 93 -5.657 -12.799 2.912 656 HA3 GLY 93 2HA GLY 93 -5.490 -12.193 4.553 657 H LEU 94 H LEU 94 -6.800 -10.469 3.297 658 HA LEU 94 HA LEU 94 -5.070 -8.624 1.837 659 HB2 LEU 94 1HB LEU 94 -7.116 -8.891 0.749 660 HB3 LEU 94 2HB LEU 94 -8.028 -8.838 2.257 661 HG LEU 94 HG LEU 94 -7.578 -6.430 2.431 662 HD11 LEU 94 1HD1 LEU 94 -6.552 -5.213 0.630 663 HD12 LEU 94 2HD1 LEU 94 -6.338 -6.693 -0.303 664 HD13 LEU 94 3HD1 LEU 94 -5.435 -6.456 1.192 665 HD21 LEU 94 1HD2 LEU 94 -8.848 -5.811 0.250 666 HD22 LEU 94 2HD2 LEU 94 -9.637 -6.824 1.460 667 HD23 LEU 94 3HD2 LEU 94 -8.934 -7.557 0.017 668 H HIS 95 H HIS 95 -4.062 -7.034 2.854 669 HA HIS 95 HA HIS 95 -5.097 -6.142 5.459 670 HB2 HIS 95 1HB HIS 95 -2.361 -5.385 4.573 671 HB3 HIS 95 2HB HIS 95 -2.947 -5.809 6.179 672 HD2 HIS 95 2HD HIS 95 -0.480 -7.232 3.991 673 HE1 HIS 95 1HE HIS 95 -2.563 -10.665 5.360 674 HE2 HIS 95 2HE HIS 95 -0.442 -9.798 4.314 675 H VAL 96 H VAL 96 -4.895 -3.853 5.979 676 HA VAL 96 HA VAL 96 -5.337 -2.181 3.597 677 HB VAL 96 HB VAL 96 -6.249 -1.738 6.444 678 HG11 VAL 96 1HG1 VAL 96 -7.138 0.289 5.839 679 HG12 VAL 96 2HG1 VAL 96 -5.674 0.271 4.854 680 HG13 VAL 96 3HG1 VAL 96 -7.231 -0.137 4.130 681 HG21 VAL 96 1HG2 VAL 96 -7.697 -2.608 3.952 682 HG22 VAL 96 2HG2 VAL 96 -7.551 -3.476 5.480 683 HG23 VAL 96 3HG2 VAL 96 -8.522 -2.006 5.389 684 H VAL 97 H VAL 97 -3.497 -1.182 3.059 685 HA VAL 97 HA VAL 97 -1.680 -0.236 5.137 686 HB VAL 97 HB VAL 97 -1.381 -0.240 2.130 687 HG11 VAL 97 1HG1 VAL 97 -0.109 1.443 3.828 688 HG12 VAL 97 2HG1 VAL 97 0.993 0.064 3.836 689 HG13 VAL 97 3HG1 VAL 97 0.576 0.853 2.314 690 HG21 VAL 97 1HG2 VAL 97 -0.598 -2.316 2.293 691 HG22 VAL 97 2HG2 VAL 97 0.489 -1.865 3.606 692 HG23 VAL 97 3HG2 VAL 97 -1.173 -2.338 3.960 693 H GLU 98 H GLU 98 -1.873 1.750 5.912 694 HA GLU 98 HA GLU 98 -3.182 3.799 4.262 695 HB2 GLU 98 1HB GLU 98 -2.906 3.408 7.222 696 HB3 GLU 98 2HB GLU 98 -3.226 5.010 6.572 697 HG2 GLU 98 1HG GLU 98 -5.321 4.429 5.803 698 HG3 GLU 98 2HG GLU 98 -4.942 2.708 5.762 699 H VAL 99 H VAL 99 -1.769 4.996 3.169 700 HA VAL 99 HA VAL 99 0.833 5.616 4.367 701 HB VAL 99 HB VAL 99 -0.098 6.130 1.540 702 HG11 VAL 99 1HG1 VAL 99 2.004 7.257 2.866 703 HG12 VAL 99 2HG1 VAL 99 2.761 5.855 2.106 704 HG13 VAL 99 3HG1 VAL 99 1.907 7.041 1.118 705 HG21 VAL 99 1HG2 VAL 99 0.800 3.700 2.848 706 HG22 VAL 99 2HG2 VAL 99 0.084 3.924 1.252 707 HG23 VAL 99 3HG2 VAL 99 1.820 4.138 1.477 708 H THR 100 H THR 100 1.432 7.632 4.936 709 HA THR 100 HA THR 100 -0.302 9.883 4.202 710 HB THR 100 HB THR 100 -0.028 10.768 6.557 711 HG1 THR 100 1HG THR 100 1.264 8.344 6.779 712 HG21 THR 100 1HG2 THR 100 -2.184 10.093 6.261 713 HG22 THR 100 2HG2 THR 100 -1.699 8.885 7.451 714 HG23 THR 100 3HG2 THR 100 -1.721 8.475 5.736 715 H TYR 101 H TYR 101 0.891 11.411 3.292 716 HA TYR 101 HA TYR 101 3.746 11.571 3.962 717 HB2 TYR 101 1HB TYR 101 3.093 11.212 1.571 718 HB3 TYR 101 2HB TYR 101 2.314 12.790 1.594 719 HD1 TYR 101 1HD TYR 101 3.958 14.710 2.584 720 HD2 TYR 101 2HD TYR 101 5.189 11.136 0.630 721 HE1 TYR 101 1HE TYR 101 6.093 15.777 1.991 722 HE2 TYR 101 2HE TYR 101 7.328 12.193 0.032 723 HH TYR 101 HH TYR 101 7.965 15.034 -0.233 724 H ASP 102 H ASP 102 4.344 13.121 5.306 725 HA ASP 102 HA ASP 102 4.404 15.061 6.494 726 HB2 ASP 102 1HB ASP 102 4.773 15.944 4.170 727 HB3 ASP 102 2HB ASP 102 3.046 16.280 4.084 728 H ASP 103 H ASP 103 2.324 13.438 7.193 729 HA ASP 103 HA ASP 103 0.394 13.435 8.397 730 HB2 ASP 103 1HB ASP 103 1.369 15.362 9.556 731 HB3 ASP 103 2HB ASP 103 0.734 16.441 8.316 732 H VAL 104 H VAL 104 0.387 13.554 5.459 733 HA VAL 104 HA VAL 104 -2.429 14.279 5.132 734 HB VAL 104 HB VAL 104 -0.257 15.171 3.230 735 HG11 VAL 104 1HG1 VAL 104 -1.814 15.656 1.675 736 HG12 VAL 104 2HG1 VAL 104 -2.745 14.408 2.505 737 HG13 VAL 104 3HG1 VAL 104 -3.024 16.111 2.875 738 HG21 VAL 104 1HG2 VAL 104 -2.115 16.750 5.007 739 HG22 VAL 104 2HG2 VAL 104 -0.372 16.573 5.209 740 HG23 VAL 104 3HG2 VAL 104 -1.014 17.440 3.814 741 HA PRO 105 HA PRO 105 -2.249 10.217 3.307 742 HB2 PRO 105 1HB PRO 105 -4.896 10.060 2.727 743 HB3 PRO 105 2HB PRO 105 -4.255 9.827 4.357 744 HG2 PRO 105 1HG PRO 105 -5.512 12.259 3.147 745 HG3 PRO 105 2HG PRO 105 -5.757 11.556 4.757 746 HD2 PRO 105 1HD PRO 105 -4.156 13.698 4.330 747 HD3 PRO 105 2HD PRO 105 -3.830 12.501 5.600 748 H ILE 106 H ILE 106 -2.591 9.268 1.231 749 HA ILE 106 HA ILE 106 -2.608 11.252 -0.929 750 HB ILE 106 HB ILE 106 -1.761 9.259 -2.303 751 HG12 ILE 106 1HG1 ILE 106 -1.218 8.194 0.477 752 HG13 ILE 106 2HG1 ILE 106 -2.403 7.533 -0.644 753 HG21 ILE 106 1HG2 ILE 106 -0.368 11.147 -1.596 754 HG22 ILE 106 2HG2 ILE 106 -0.040 10.328 -0.070 755 HG23 ILE 106 3HG2 ILE 106 0.534 9.632 -1.585 756 HD11 ILE 106 1HD1 ILE 106 0.584 7.499 -0.851 757 HD12 ILE 106 2HD1 ILE 106 -0.539 6.139 -0.823 758 HD13 ILE 106 3HD1 ILE 106 -0.457 7.186 -2.239 759 HA PRO 107 HA PRO 107 -6.465 9.937 -2.562 760 HB2 PRO 107 1HB PRO 107 -6.040 10.213 -5.229 761 HB3 PRO 107 2HB PRO 107 -6.230 11.591 -4.139 762 HG2 PRO 107 1HG PRO 107 -3.724 10.374 -5.233 763 HG3 PRO 107 2HG PRO 107 -4.152 12.086 -5.058 764 HD2 PRO 107 1HD PRO 107 -2.530 10.804 -3.309 765 HD3 PRO 107 2HD PRO 107 -3.614 12.122 -2.817 766 H ASN 108 H ASN 108 -3.760 8.073 -2.772 767 HA ASN 108 HA ASN 108 -5.032 6.017 -4.443 768 HB2 ASN 108 1HB ASN 108 -2.201 5.895 -3.432 769 HB3 ASN 108 2HB ASN 108 -2.903 5.100 -4.838 770 HD21 ASN 108 1HD2 ASN 108 -3.993 6.889 -6.334 771 HD22 ASN 108 2HD2 ASN 108 -2.911 8.164 -6.769 772 H SER 109 H SER 109 -4.346 6.851 -1.223 773 HA SER 109 HA SER 109 -4.588 4.072 -0.310 774 HB2 SER 109 1HB SER 109 -3.410 6.546 0.843 775 HB3 SER 109 2HB SER 109 -4.143 5.411 1.975 776 HG SER 109 HG SER 109 -2.254 4.634 0.013 777 HA PRO 110 HA PRO 110 -4.812 3.546 2.117 778 HB2 PRO 110 1HB PRO 110 -6.490 1.536 2.835 779 HB3 PRO 110 2HB PRO 110 -6.257 2.989 3.815 780 HG2 PRO 110 1HG PRO 110 -8.461 2.330 1.900 781 HG3 PRO 110 2HG PRO 110 -8.560 3.074 3.506 782 HD2 PRO 110 1HD PRO 110 -8.691 4.519 1.221 783 HD3 PRO 110 2HD PRO 110 -7.977 5.158 2.715 784 H PHE 111 H PHE 111 -4.069 1.371 1.595 785 HA PHE 111 HA PHE 111 -4.801 0.626 -1.150 786 HB2 PHE 111 1HB PHE 111 -2.278 0.360 0.452 787 HB3 PHE 111 2HB PHE 111 -2.562 -0.696 -0.929 788 HD1 PHE 111 1HD PHE 111 -3.122 0.448 -3.167 789 HD2 PHE 111 2HD PHE 111 -1.348 2.455 0.142 790 HE1 PHE 111 1HE PHE 111 -2.292 2.202 -4.680 791 HE2 PHE 111 2HE PHE 111 -0.516 4.212 -1.365 792 HZ PHE 111 HZ PHE 111 -0.988 4.088 -3.779 793 H LYS 112 H LYS 112 -4.578 -1.741 -1.658 794 HA LYS 112 HA LYS 112 -5.417 -3.427 0.601 795 HB2 LYS 112 1HB LYS 112 -6.812 -2.946 -1.991 796 HB3 LYS 112 2HB LYS 112 -6.869 -4.567 -1.311 797 HG2 LYS 112 1HG LYS 112 -8.139 -3.924 0.480 798 HG3 LYS 112 2HG LYS 112 -7.546 -2.262 0.444 799 HD2 LYS 112 1HD LYS 112 -8.807 -1.987 -1.725 800 HD3 LYS 112 2HD LYS 112 -9.552 -3.553 -1.396 801 HE2 LYS 112 1HE LYS 112 -9.669 -1.155 0.430 802 HE3 LYS 112 2HE LYS 112 -10.950 -1.649 -0.675 803 HZ1 LYS 112 1HZ LYS 112 -11.298 -3.626 0.536 804 HZ2 LYS 112 2HZ LYS 112 -11.211 -2.391 1.688 805 HZ3 LYS 112 3HZ LYS 112 -9.889 -3.420 1.451 806 H VAL 113 H VAL 113 -3.782 -4.816 0.830 807 HA VAL 113 HA VAL 113 -2.511 -5.932 -1.571 808 HB VAL 113 HB VAL 113 -1.584 -5.948 1.304 809 HG11 VAL 113 1HG1 VAL 113 -0.186 -7.589 0.779 810 HG12 VAL 113 2HG1 VAL 113 -0.897 -7.680 -0.833 811 HG13 VAL 113 3HG1 VAL 113 0.479 -6.617 -0.533 812 HG21 VAL 113 1HG2 VAL 113 -0.469 -4.499 -1.094 813 HG22 VAL 113 2HG2 VAL 113 -1.456 -3.759 0.166 814 HG23 VAL 113 3HG2 VAL 113 0.132 -4.414 0.561 815 H ALA 114 H ALA 114 -3.809 -7.601 -2.185 816 HA ALA 114 HA ALA 114 -4.851 -9.482 -0.254 817 HB1 ALA 114 1HB ALA 114 -5.941 -8.687 -2.474 818 HB2 ALA 114 2HB ALA 114 -4.930 -9.933 -3.208 819 HB3 ALA 114 3HB ALA 114 -6.112 -10.370 -1.974 820 H VAL 115 H VAL 115 -3.051 -10.458 0.674 821 HA VAL 115 HA VAL 115 -0.954 -11.623 -0.876 822 HB VAL 115 HB VAL 115 -1.728 -12.028 2.015 823 HG11 VAL 115 1HG1 VAL 115 -0.190 -13.623 2.214 824 HG12 VAL 115 2HG1 VAL 115 -0.099 -13.664 0.452 825 HG13 VAL 115 3HG1 VAL 115 1.014 -12.649 1.371 826 HG21 VAL 115 1HG2 VAL 115 -0.945 -9.903 2.053 827 HG22 VAL 115 2HG2 VAL 115 0.614 -10.727 2.083 828 HG23 VAL 115 3HG2 VAL 115 -0.022 -10.100 0.563 829 H THR 116 H THR 116 -0.708 -13.661 -1.615 830 HA THR 116 HA THR 116 -2.910 -15.554 -1.102 831 HB THR 116 HB THR 116 -2.937 -14.804 -3.421 832 HG1 THR 116 1HG THR 116 -2.304 -17.060 -4.314 833 HG21 THR 116 1HG2 THR 116 -0.421 -14.314 -3.425 834 HG22 THR 116 2HG2 THR 116 -1.120 -14.982 -4.900 835 HG23 THR 116 3HG2 THR 116 -0.217 -16.024 -3.801 836 H GLU 117 H GLU 117 -2.324 -17.849 -1.264 837 HA GLU 117 HA GLU 117 -0.183 -18.520 0.392 838 HB2 GLU 117 1HB GLU 117 -1.960 -20.084 -1.441 839 HB3 GLU 117 2HB GLU 117 -0.578 -20.875 -0.695 840 HG2 GLU 117 1HG GLU 117 -1.452 -20.138 1.523 841 HG3 GLU 117 2HG GLU 117 -2.901 -19.568 0.696 842 H GLY 118 H GLY 118 1.897 -18.196 -0.059 843 HA2 GLY 118 1HA GLY 118 2.842 -18.859 -2.780 844 HA3 GLY 118 2HA GLY 118 3.546 -17.592 -1.786 845 H CYS 119 H CYS 119 5.081 -18.098 -0.283 846 HA CYS 119 HA CYS 119 5.864 -20.936 -0.138 847 HB2 CYS 119 1HB CYS 119 7.459 -19.544 -1.428 848 HB3 CYS 119 2HB CYS 119 7.681 -18.520 -0.014 849 HG CYS 119 HG CYS 119 9.429 -19.984 1.202 850 H GLN 120 H GLN 120 6.507 -21.763 1.837 851 HA GLN 120 HA GLN 120 6.309 -19.984 4.163 852 HB2 GLN 120 1HB GLN 120 4.926 -21.528 5.363 853 HB3 GLN 120 2HB GLN 120 4.155 -21.210 3.815 854 HG2 GLN 120 1HG GLN 120 3.923 -23.462 3.884 855 HG3 GLN 120 2HG GLN 120 5.500 -23.366 3.103 856 HE21 GLN 120 1HE2 GLN 120 4.637 -25.622 4.458 857 HE22 GLN 120 2HE2 GLN 120 5.612 -25.839 5.867 858 HA PRO 121 HA PRO 121 10.156 -22.026 5.044 859 HB2 PRO 121 1HB PRO 121 10.594 -20.810 7.431 860 HB3 PRO 121 2HB PRO 121 10.854 -20.003 5.880 861 HG2 PRO 121 1HG PRO 121 8.518 -19.819 7.743 862 HG3 PRO 121 2HG PRO 121 9.348 -18.526 6.859 863 HD2 PRO 121 1HD PRO 121 7.006 -19.593 6.020 864 HD3 PRO 121 2HD PRO 121 8.235 -18.983 4.893 865 H SER 122 H SER 122 10.803 -23.767 6.240 866 HA SER 122 HA SER 122 8.792 -24.913 8.043 867 HB2 SER 122 1HB SER 122 11.029 -26.115 6.423 868 HB3 SER 122 2HB SER 122 10.258 -27.013 7.730 869 HG SER 122 HG SER 122 8.518 -25.810 5.963 870 H SER 123 H SER 123 9.107 -24.684 10.145 871 HA SER 123 HA SER 123 11.849 -24.816 11.194 872 HB2 SER 123 1HB SER 123 9.748 -22.749 11.852 873 HB3 SER 123 2HB SER 123 11.138 -23.056 12.892 874 HG SER 123 HG SER 123 12.482 -22.522 11.125 875 H GLY 124 H GLY 124 11.742 -25.013 13.697 876 HA2 GLY 124 1HA GLY 124 9.612 -26.961 14.334 877 HA3 GLY 124 2HA GLY 124 11.266 -27.105 14.910 878 HA PRO 125 HA PRO 125 8.591 -25.009 18.134 879 HB2 PRO 125 1HB PRO 125 9.107 -26.787 20.120 880 HB3 PRO 125 2HB PRO 125 7.777 -26.987 18.973 881 HG2 PRO 125 1HG PRO 125 10.488 -28.256 18.971 882 HG3 PRO 125 2HG PRO 125 8.909 -28.990 18.635 883 HD2 PRO 125 1HD PRO 125 10.621 -28.255 16.670 884 HD3 PRO 125 2HD PRO 125 8.858 -28.194 16.473 885 H SER 126 H SER 126 9.623 -23.324 18.985 886 HA SER 126 HA SER 126 12.449 -23.387 19.506 887 HB2 SER 126 1HB SER 126 10.306 -21.293 19.680 888 HB3 SER 126 2HB SER 126 11.879 -21.005 20.425 889 HG SER 126 HG SER 126 11.833 -21.949 17.799 890 H SER 127 H SER 127 9.573 -22.789 21.527 891 HA SER 127 HA SER 127 11.158 -23.136 23.938 892 HB2 SER 127 1HB SER 127 9.367 -21.365 23.707 893 HB3 SER 127 2HB SER 127 8.177 -22.666 23.739 894 HG SER 127 HG SER 127 8.989 -21.492 25.805 895 H GLY 128 H GLY 128 11.703 -25.275 24.092 896 HA2 GLY 128 1HA GLY 128 9.904 -27.057 25.259 897 HA3 GLY 128 2HA GLY 128 9.952 -27.429 23.542 Start of MODEL 11 1 H1 GLY 1 H GLY 1 24.205 7.453 16.614 2 HA2 GLY 1 1HA GLY 1 21.949 7.601 14.861 3 HA3 GLY 1 2HA GLY 1 21.799 6.272 16.001 4 H SER 2 H SER 2 22.040 9.756 15.669 5 HA SER 2 HA SER 2 20.561 10.056 18.164 6 HB2 SER 2 1HB SER 2 22.075 11.681 19.102 7 HB3 SER 2 2HB SER 2 23.003 10.229 18.727 8 HG SER 2 HG SER 2 24.090 12.082 18.005 9 H SER 3 H SER 3 19.364 11.966 18.302 10 HA SER 3 HA SER 3 19.574 14.065 16.388 11 HB2 SER 3 1HB SER 3 18.499 12.127 15.089 12 HB3 SER 3 2HB SER 3 17.079 12.396 16.101 13 HG SER 3 HG SER 3 17.347 13.564 13.952 14 H GLY 4 H GLY 4 18.186 15.814 16.841 15 HA2 GLY 4 1HA GLY 4 15.998 15.823 18.548 16 HA3 GLY 4 2HA GLY 4 17.415 16.029 19.566 17 H SER 5 H SER 5 15.111 17.599 17.719 18 HA SER 5 HA SER 5 16.373 20.152 18.170 19 HB2 SER 5 1HB SER 5 17.423 19.724 16.074 20 HB3 SER 5 2HB SER 5 15.928 19.104 15.373 21 HG SER 5 HG SER 5 16.687 21.419 14.961 22 H SER 6 H SER 6 14.750 21.175 19.133 23 HA SER 6 HA SER 6 12.173 21.324 17.751 24 HB2 SER 6 1HB SER 6 11.936 19.566 19.466 25 HB3 SER 6 2HB SER 6 12.457 20.710 20.704 26 HG SER 6 HG SER 6 10.145 20.481 20.508 27 H GLY 7 H GLY 7 10.788 23.090 18.632 28 HA2 GLY 7 1HA GLY 7 11.043 25.053 20.291 29 HA3 GLY 7 2HA GLY 7 12.501 25.369 19.362 30 H HIS 8 H HIS 8 9.227 26.020 19.653 31 HA HIS 8 HA HIS 8 9.266 27.555 17.187 32 HB2 HIS 8 1HB HIS 8 7.090 25.529 17.748 33 HB3 HIS 8 2HB HIS 8 7.110 26.673 16.409 34 HD1 HIS 8 1HD HIS 8 9.601 26.359 14.999 35 HD2 HIS 8 2HD HIS 8 7.840 23.098 16.877 36 HE1 HIS 8 1HE HIS 8 10.576 24.330 13.877 37 H PHE 9 H PHE 9 8.177 29.437 17.362 38 HA PHE 9 HA PHE 9 7.374 30.383 19.866 39 HB2 PHE 9 1HB PHE 9 6.892 31.386 17.067 40 HB3 PHE 9 2HB PHE 9 6.276 32.244 18.476 41 HD1 PHE 9 1HD PHE 9 7.868 33.162 20.146 42 HD2 PHE 9 2HD PHE 9 9.163 31.518 16.440 43 HE1 PHE 9 1HE PHE 9 10.038 34.294 20.407 44 HE2 PHE 9 2HE PHE 9 11.335 32.646 16.695 45 HZ PHE 9 HZ PHE 9 11.775 34.035 18.680 46 HA PRO 10 HA PRO 10 3.290 28.812 20.347 47 HB2 PRO 10 1HB PRO 10 2.335 30.649 22.104 48 HB3 PRO 10 2HB PRO 10 3.492 29.393 22.561 49 HG2 PRO 10 1HG PRO 10 3.984 32.270 21.897 50 HG3 PRO 10 2HG PRO 10 4.678 31.288 23.200 51 HD2 PRO 10 1HD PRO 10 6.016 31.820 20.908 52 HD3 PRO 10 2HD PRO 10 6.226 30.303 21.805 53 H ALA 11 H ALA 11 1.423 29.023 19.261 54 HA ALA 11 HA ALA 11 0.092 31.460 18.775 55 HB1 ALA 11 1HB ALA 11 2.209 30.932 16.972 56 HB2 ALA 11 2HB ALA 11 0.693 30.705 16.099 57 HB3 ALA 11 3HB ALA 11 1.020 32.233 16.916 58 H ARG 12 H ARG 12 -1.953 31.152 17.908 59 HA ARG 12 HA ARG 12 -2.692 28.339 17.446 60 HB2 ARG 12 1HB ARG 12 -4.385 30.618 18.489 61 HB3 ARG 12 2HB ARG 12 -4.958 28.981 18.198 62 HG2 ARG 12 1HG ARG 12 -2.705 29.582 20.089 63 HG3 ARG 12 2HG ARG 12 -4.398 29.592 20.588 64 HD2 ARG 12 1HD ARG 12 -3.374 27.225 19.106 65 HD3 ARG 12 2HD ARG 12 -2.899 27.423 20.792 66 HE ARG 12 HE ARG 12 -5.504 26.723 19.793 67 HH11 ARG 12 1HH1 ARG 12 -3.721 28.092 22.452 68 HH12 ARG 12 2HH1 ARG 12 -4.940 27.728 23.627 69 HH21 ARG 12 1HH2 ARG 12 -7.117 26.238 21.332 70 HH22 ARG 12 2HH2 ARG 12 -6.871 26.672 22.990 71 H VAL 13 H VAL 13 -2.298 28.380 15.214 72 HA VAL 13 HA VAL 13 -3.952 30.216 13.625 73 HB VAL 13 HB VAL 13 -2.562 29.541 11.706 74 HG11 VAL 13 1HG1 VAL 13 -1.377 31.325 12.290 75 HG12 VAL 13 2HG1 VAL 13 -1.715 31.035 13.998 76 HG13 VAL 13 3HG1 VAL 13 -0.319 30.275 13.233 77 HG21 VAL 13 1HG2 VAL 13 -0.723 28.126 13.600 78 HG22 VAL 13 2HG2 VAL 13 -2.041 27.263 12.807 79 HG23 VAL 13 3HG2 VAL 13 -0.789 28.042 11.840 80 H LYS 14 H LYS 14 -5.015 29.339 11.699 81 HA LYS 14 HA LYS 14 -6.565 27.039 12.337 82 HB2 LYS 14 1HB LYS 14 -6.427 28.966 10.070 83 HB3 LYS 14 2HB LYS 14 -7.230 27.426 9.788 84 HG2 LYS 14 1HG LYS 14 -7.982 28.986 12.203 85 HG3 LYS 14 2HG LYS 14 -8.553 29.539 10.627 86 HD2 LYS 14 1HD LYS 14 -10.265 28.134 11.254 87 HD3 LYS 14 2HD LYS 14 -9.242 27.030 10.332 88 HE2 LYS 14 1HE LYS 14 -8.555 25.897 12.194 89 HE3 LYS 14 2HE LYS 14 -8.729 27.300 13.246 90 HZ1 LYS 14 1HZ LYS 14 -10.559 25.201 12.779 91 HZ2 LYS 14 2HZ LYS 14 -11.269 26.672 12.341 92 HZ3 LYS 14 3HZ LYS 14 -10.654 26.462 13.903 93 H VAL 15 H VAL 15 -6.214 24.967 11.874 94 HA VAL 15 HA VAL 15 -3.826 23.981 10.879 95 HB VAL 15 HB VAL 15 -5.314 22.573 12.166 96 HG11 VAL 15 1HG1 VAL 15 -7.160 22.518 9.785 97 HG12 VAL 15 2HG1 VAL 15 -7.414 21.764 11.360 98 HG13 VAL 15 3HG1 VAL 15 -7.421 23.522 11.211 99 HG21 VAL 15 1HG2 VAL 15 -4.983 21.467 9.379 100 HG22 VAL 15 2HG2 VAL 15 -3.730 21.498 10.619 101 HG23 VAL 15 3HG2 VAL 15 -5.184 20.530 10.860 102 H GLU 16 H GLU 16 -2.983 23.754 8.912 103 HA GLU 16 HA GLU 16 -4.713 23.507 6.585 104 HB2 GLU 16 1HB GLU 16 -2.896 25.832 7.103 105 HB3 GLU 16 2HB GLU 16 -3.157 25.283 5.453 106 HG2 GLU 16 1HG GLU 16 -5.560 25.616 5.718 107 HG3 GLU 16 2HG GLU 16 -5.301 26.163 7.374 108 HA PRO 17 HA PRO 17 -1.538 20.665 5.452 109 HB2 PRO 17 1HB PRO 17 -2.194 20.367 2.834 110 HB3 PRO 17 2HB PRO 17 -3.134 19.649 4.147 111 HG2 PRO 17 1HG PRO 17 -3.652 22.158 2.598 112 HG3 PRO 17 2HG PRO 17 -4.792 20.894 3.094 113 HD2 PRO 17 1HD PRO 17 -4.554 23.242 4.421 114 HD3 PRO 17 2HD PRO 17 -4.974 21.723 5.237 115 H ALA 18 H ALA 18 0.498 20.737 4.637 116 HA ALA 18 HA ALA 18 1.224 23.114 3.049 117 HB1 ALA 18 1HB ALA 18 3.035 21.616 4.934 118 HB2 ALA 18 2HB ALA 18 3.357 23.149 4.123 119 HB3 ALA 18 3HB ALA 18 2.122 23.058 5.379 120 H VAL 19 H VAL 19 0.436 20.252 2.316 121 HA VAL 19 HA VAL 19 2.657 19.835 0.447 122 HB VAL 19 HB VAL 19 3.026 18.236 2.253 123 HG11 VAL 19 1HG1 VAL 19 0.199 18.056 2.234 124 HG12 VAL 19 2HG1 VAL 19 0.844 16.452 1.880 125 HG13 VAL 19 3HG1 VAL 19 1.338 17.299 3.346 126 HG21 VAL 19 1HG2 VAL 19 3.231 16.270 0.931 127 HG22 VAL 19 2HG2 VAL 19 1.916 16.770 -0.133 128 HG23 VAL 19 3HG2 VAL 19 3.448 17.642 -0.155 129 H ASP 20 H ASP 20 2.083 18.817 -1.508 130 HA ASP 20 HA ASP 20 -0.608 19.337 -2.345 131 HB2 ASP 20 1HB ASP 20 1.905 18.417 -3.659 132 HB3 ASP 20 2HB ASP 20 0.379 18.088 -4.476 133 H THR 21 H THR 21 1.363 16.362 -2.432 134 HA THR 21 HA THR 21 0.758 14.158 -2.482 135 HB THR 21 HB THR 21 -1.214 13.703 -0.769 136 HG1 THR 21 1HG THR 21 -0.316 16.320 -0.070 137 HG21 THR 21 1HG2 THR 21 0.571 12.925 0.313 138 HG22 THR 21 2HG2 THR 21 0.868 14.550 0.931 139 HG23 THR 21 3HG2 THR 21 1.628 14.025 -0.571 140 H SER 22 H SER 22 -0.284 15.392 -4.650 141 HA SER 22 HA SER 22 -2.955 14.172 -4.886 142 HB2 SER 22 1HB SER 22 -3.280 16.555 -4.920 143 HB3 SER 22 2HB SER 22 -1.969 16.770 -6.080 144 HG SER 22 HG SER 22 -4.507 16.420 -6.612 145 H ARG 23 H ARG 23 0.226 14.324 -6.003 146 HA ARG 23 HA ARG 23 -0.509 12.810 -8.422 147 HB2 ARG 23 1HB ARG 23 1.774 14.756 -8.052 148 HB3 ARG 23 2HB ARG 23 1.592 13.700 -9.446 149 HG2 ARG 23 1HG ARG 23 -0.537 14.784 -9.983 150 HG3 ARG 23 2HG ARG 23 -0.331 15.855 -8.596 151 HD2 ARG 23 1HD ARG 23 0.352 16.986 -10.625 152 HD3 ARG 23 2HD ARG 23 1.752 16.706 -9.591 153 HE ARG 23 HE ARG 23 1.804 14.570 -11.222 154 HH11 ARG 23 1HH1 ARG 23 1.510 17.984 -11.833 155 HH12 ARG 23 2HH1 ARG 23 2.294 17.908 -13.376 156 HH21 ARG 23 1HH2 ARG 23 2.838 14.457 -13.252 157 HH22 ARG 23 2HH2 ARG 23 3.048 15.901 -14.183 158 H ILE 24 H ILE 24 0.006 11.766 -5.786 159 HA ILE 24 HA ILE 24 2.673 10.628 -5.878 160 HB ILE 24 HB ILE 24 0.392 10.329 -3.933 161 HG12 ILE 24 1HG1 ILE 24 1.907 12.404 -4.012 162 HG13 ILE 24 2HG1 ILE 24 1.710 11.604 -2.456 163 HG21 ILE 24 1HG2 ILE 24 2.691 8.588 -4.370 164 HG22 ILE 24 2HG2 ILE 24 2.567 9.186 -2.716 165 HG23 ILE 24 3HG2 ILE 24 1.219 8.310 -3.441 166 HD11 ILE 24 1HD1 ILE 24 3.934 10.443 -3.785 167 HD12 ILE 24 2HD1 ILE 24 4.095 12.199 -3.835 168 HD13 ILE 24 3HD1 ILE 24 3.897 11.375 -2.289 169 H LYS 25 H LYS 25 3.191 8.533 -6.330 170 HA LYS 25 HA LYS 25 1.057 6.632 -6.930 171 HB2 LYS 25 1HB LYS 25 2.949 7.795 -8.909 172 HB3 LYS 25 2HB LYS 25 2.610 6.074 -9.036 173 HG2 LYS 25 1HG LYS 25 0.224 6.549 -9.209 174 HG3 LYS 25 2HG LYS 25 0.555 8.277 -9.066 175 HD2 LYS 25 1HD LYS 25 2.051 7.993 -11.110 176 HD3 LYS 25 2HD LYS 25 1.294 6.410 -11.306 177 HE2 LYS 25 1HE LYS 25 -0.099 7.653 -12.614 178 HE3 LYS 25 2HE LYS 25 -0.917 7.845 -11.064 179 HZ1 LYS 25 1HZ LYS 25 0.732 9.783 -12.540 180 HZ2 LYS 25 2HZ LYS 25 0.605 9.907 -10.858 181 HZ3 LYS 25 3HZ LYS 25 -0.784 9.997 -11.820 182 H VAL 26 H VAL 26 1.622 4.504 -6.630 183 HA VAL 26 HA VAL 26 4.405 3.962 -5.837 184 HB VAL 26 HB VAL 26 3.431 2.323 -4.151 185 HG11 VAL 26 1HG1 VAL 26 3.922 3.848 -2.597 186 HG12 VAL 26 2HG1 VAL 26 4.152 4.974 -3.936 187 HG13 VAL 26 3HG1 VAL 26 2.602 4.904 -3.097 188 HG21 VAL 26 1HG2 VAL 26 1.214 2.490 -3.459 189 HG22 VAL 26 2HG2 VAL 26 0.985 4.054 -4.241 190 HG23 VAL 26 3HG2 VAL 26 1.097 2.589 -5.216 191 H PHE 27 H PHE 27 5.270 2.093 -6.572 192 HA PHE 27 HA PHE 27 3.489 0.163 -7.890 193 HB2 PHE 27 1HB PHE 27 5.474 -0.060 -9.584 194 HB3 PHE 27 2HB PHE 27 4.291 1.227 -9.786 195 HD1 PHE 27 1HD PHE 27 4.860 3.540 -9.112 196 HD2 PHE 27 2HD PHE 27 7.746 0.411 -9.120 197 HE1 PHE 27 1HE PHE 27 6.667 5.210 -9.058 198 HE2 PHE 27 2HE PHE 27 9.556 2.076 -9.066 199 HZ PHE 27 HZ PHE 27 9.018 4.479 -9.034 200 H GLY 28 H GLY 28 4.236 -1.988 -7.946 201 HA2 GLY 28 1HA GLY 28 6.351 -3.361 -7.504 202 HA3 GLY 28 2HA GLY 28 6.343 -2.529 -5.956 203 HA PRO 29 HA PRO 29 3.798 -6.530 -5.885 204 HB2 PRO 29 1HB PRO 29 5.471 -7.994 -4.326 205 HB3 PRO 29 2HB PRO 29 5.566 -7.983 -6.091 206 HG2 PRO 29 1HG PRO 29 7.209 -6.473 -4.097 207 HG3 PRO 29 2HG PRO 29 7.731 -7.319 -5.565 208 HD2 PRO 29 1HD PRO 29 7.407 -4.633 -5.470 209 HD3 PRO 29 2HD PRO 29 7.107 -5.580 -6.941 210 H GLY 30 H GLY 30 5.727 -4.858 -3.433 211 HA2 GLY 30 1HA GLY 30 4.375 -5.741 -1.149 212 HA3 GLY 30 2HA GLY 30 5.232 -4.213 -1.288 213 H ILE 31 H ILE 31 3.420 -3.447 -3.567 214 HA ILE 31 HA ILE 31 1.107 -2.679 -1.911 215 HB ILE 31 HB ILE 31 2.685 -0.851 -2.735 216 HG12 ILE 31 1HG1 ILE 31 0.631 0.544 -3.567 217 HG13 ILE 31 2HG1 ILE 31 -0.284 -0.902 -3.154 218 HG21 ILE 31 1HG2 ILE 31 2.993 -0.448 -4.916 219 HG22 ILE 31 2HG2 ILE 31 2.412 -2.097 -5.146 220 HG23 ILE 31 3HG2 ILE 31 1.298 -0.739 -5.307 221 HD11 ILE 31 1HD1 ILE 31 -0.380 -0.167 -1.074 222 HD12 ILE 31 2HD1 ILE 31 1.367 -0.384 -0.956 223 HD13 ILE 31 3HD1 ILE 31 0.703 1.173 -1.452 224 H GLU 32 H GLU 32 2.140 -4.221 -4.808 225 HA GLU 32 HA GLU 32 -0.469 -4.108 -6.069 226 HB2 GLU 32 1HB GLU 32 2.124 -5.450 -6.829 227 HB3 GLU 32 2HB GLU 32 0.645 -5.631 -7.762 228 HG2 GLU 32 1HG GLU 32 1.625 -2.892 -7.143 229 HG3 GLU 32 2HG GLU 32 2.437 -3.831 -8.395 230 H GLY 33 H GLY 33 1.639 -6.580 -4.623 231 HA2 GLY 33 1HA GLY 33 0.749 -8.300 -3.212 232 HA3 GLY 33 2HA GLY 33 -0.769 -8.183 -4.089 233 H LYS 34 H LYS 34 2.597 -8.599 -5.172 234 HA LYS 34 HA LYS 34 1.706 -10.827 -6.848 235 HB2 LYS 34 1HB LYS 34 4.432 -9.542 -6.875 236 HB3 LYS 34 2HB LYS 34 3.674 -10.504 -8.137 237 HG2 LYS 34 1HG LYS 34 2.769 -7.772 -7.250 238 HG3 LYS 34 2HG LYS 34 3.729 -8.121 -8.690 239 HD2 LYS 34 1HD LYS 34 1.147 -9.557 -8.320 240 HD3 LYS 34 2HD LYS 34 1.104 -7.863 -8.813 241 HE2 LYS 34 1HE LYS 34 2.140 -8.287 -10.830 242 HE3 LYS 34 2HE LYS 34 2.910 -9.760 -10.244 243 HZ1 LYS 34 1HZ LYS 34 1.236 -10.486 -11.671 244 HZ2 LYS 34 2HZ LYS 34 0.106 -9.370 -11.090 245 HZ3 LYS 34 3HZ LYS 34 0.563 -10.688 -10.132 246 H ASP 35 H ASP 35 4.744 -10.163 -5.108 247 HA ASP 35 HA ASP 35 4.788 -12.989 -4.294 248 HB2 ASP 35 1HB ASP 35 6.698 -11.826 -5.667 249 HB3 ASP 35 2HB ASP 35 7.175 -11.189 -4.095 250 H VAL 36 H VAL 36 3.276 -10.863 -2.947 251 HA VAL 36 HA VAL 36 4.696 -10.265 -0.510 252 HB VAL 36 HB VAL 36 1.753 -9.930 -1.103 253 HG11 VAL 36 1HG1 VAL 36 3.458 -9.333 1.201 254 HG12 VAL 36 2HG1 VAL 36 2.459 -7.980 0.666 255 HG13 VAL 36 3HG1 VAL 36 1.707 -9.515 1.101 256 HG21 VAL 36 1HG2 VAL 36 2.620 -7.460 -1.330 257 HG22 VAL 36 2HG2 VAL 36 4.133 -8.259 -1.755 258 HG23 VAL 36 3HG2 VAL 36 2.678 -8.567 -2.702 259 H PHE 37 H PHE 37 3.838 -13.101 -1.504 260 HA PHE 37 HA PHE 37 2.001 -14.308 0.097 261 HB2 PHE 37 1HB PHE 37 4.686 -15.597 -0.317 262 HB3 PHE 37 2HB PHE 37 3.095 -16.351 -0.298 263 HD1 PHE 37 1HD PHE 37 1.489 -15.038 -2.163 264 HD2 PHE 37 2HD PHE 37 5.686 -15.719 -2.367 265 HE1 PHE 37 1HE PHE 37 1.390 -14.892 -4.618 266 HE2 PHE 37 2HE PHE 37 5.594 -15.573 -4.821 267 HZ PHE 37 HZ PHE 37 3.444 -15.158 -5.950 268 H ARG 38 H ARG 38 2.013 -15.346 2.124 269 HA ARG 38 HA ARG 38 2.995 -13.932 4.261 270 HB2 ARG 38 1HB ARG 38 1.276 -15.878 4.163 271 HB3 ARG 38 2HB ARG 38 2.672 -16.911 4.442 272 HG2 ARG 38 1HG ARG 38 3.142 -15.762 6.523 273 HG3 ARG 38 2HG ARG 38 1.800 -14.654 6.234 274 HD2 ARG 38 1HD ARG 38 0.210 -16.243 6.692 275 HD3 ARG 38 2HD ARG 38 1.260 -17.580 6.223 276 HE ARG 38 HE ARG 38 2.135 -16.201 8.587 277 HH11 ARG 38 1HH1 ARG 38 0.071 -18.711 7.336 278 HH12 ARG 38 2HH1 ARG 38 0.017 -19.590 8.828 279 HH21 ARG 38 1HH2 ARG 38 2.072 -17.350 10.556 280 HH22 ARG 38 2HH2 ARG 38 1.155 -18.815 10.659 281 H GLU 39 H GLU 39 4.844 -13.860 5.422 282 HA GLU 39 HA GLU 39 7.008 -14.205 6.037 283 HB2 GLU 39 1HB GLU 39 6.728 -16.914 4.726 284 HB3 GLU 39 2HB GLU 39 7.952 -16.433 5.893 285 HG2 GLU 39 1HG GLU 39 6.493 -16.506 7.665 286 HG3 GLU 39 2HG GLU 39 5.075 -16.260 6.646 287 H ALA 40 H ALA 40 6.194 -13.186 3.354 288 HA ALA 40 HA ALA 40 8.675 -13.773 1.876 289 HB1 ALA 40 1HB ALA 40 6.388 -14.292 0.826 290 HB2 ALA 40 2HB ALA 40 6.242 -12.546 0.629 291 HB3 ALA 40 3HB ALA 40 7.570 -13.411 -0.143 292 H THR 41 H THR 41 10.096 -12.178 1.573 293 HA THR 41 HA THR 41 9.653 -9.619 2.779 294 HB THR 41 HB THR 41 11.966 -10.559 1.071 295 HG1 THR 41 1HG THR 41 11.833 -11.782 2.954 296 HG21 THR 41 1HG2 THR 41 11.302 -7.975 2.046 297 HG22 THR 41 2HG2 THR 41 12.771 -8.488 1.215 298 HG23 THR 41 3HG2 THR 41 12.679 -8.566 2.975 299 H THR 42 H THR 42 8.141 -8.415 1.732 300 HA THR 42 HA THR 42 8.661 -7.800 -1.105 301 HB THR 42 HB THR 42 6.480 -9.015 -0.557 302 HG1 THR 42 1HG THR 42 6.817 -6.674 -2.045 303 HG21 THR 42 1HG2 THR 42 6.055 -7.566 1.485 304 HG22 THR 42 2HG2 THR 42 4.686 -7.801 0.398 305 HG23 THR 42 3HG2 THR 42 5.591 -6.289 0.361 306 H ASP 43 H ASP 43 8.634 -5.675 -1.756 307 HA ASP 43 HA ASP 43 7.968 -3.594 0.165 308 HB2 ASP 43 1HB ASP 43 10.117 -2.466 -0.037 309 HB3 ASP 43 2HB ASP 43 10.351 -4.095 0.593 310 H PHE 44 H PHE 44 7.629 -1.544 -0.778 311 HA PHE 44 HA PHE 44 7.416 -1.597 -3.717 312 HB2 PHE 44 1HB PHE 44 5.478 -0.088 -3.492 313 HB3 PHE 44 2HB PHE 44 5.210 -1.623 -2.672 314 HD1 PHE 44 1HD PHE 44 6.272 1.883 -2.062 315 HD2 PHE 44 2HD PHE 44 4.560 -1.663 -0.445 316 HE1 PHE 44 1HE PHE 44 5.735 3.093 0.012 317 HE2 PHE 44 2HE PHE 44 4.020 -0.459 1.631 318 HZ PHE 44 HZ PHE 44 4.606 1.922 1.862 319 H THR 45 H THR 45 7.243 0.725 -4.615 320 HA THR 45 HA THR 45 9.211 2.435 -3.238 321 HB THR 45 HB THR 45 8.946 2.172 -6.236 322 HG1 THR 45 1HG THR 45 11.133 1.181 -4.753 323 HG21 THR 45 1HG2 THR 45 10.145 4.058 -6.212 324 HG22 THR 45 2HG2 THR 45 11.473 3.108 -5.544 325 HG23 THR 45 3HG2 THR 45 10.373 3.967 -4.466 326 H VAL 46 H VAL 46 8.624 4.488 -2.909 327 HA VAL 46 HA VAL 46 6.102 5.403 -4.102 328 HB VAL 46 HB VAL 46 7.587 6.552 -1.736 329 HG11 VAL 46 1HG1 VAL 46 5.748 7.796 -3.303 330 HG12 VAL 46 2HG1 VAL 46 4.719 7.066 -2.069 331 HG13 VAL 46 3HG1 VAL 46 6.023 8.157 -1.599 332 HG21 VAL 46 1HG2 VAL 46 6.494 5.161 -0.352 333 HG22 VAL 46 2HG2 VAL 46 5.008 5.222 -1.301 334 HG23 VAL 46 3HG2 VAL 46 6.319 4.146 -1.784 335 H ASP 47 H ASP 47 6.270 6.689 -5.806 336 HA ASP 47 HA ASP 47 8.709 8.206 -6.268 337 HB2 ASP 47 1HB ASP 47 7.252 6.833 -8.005 338 HB3 ASP 47 2HB ASP 47 6.365 8.351 -8.111 339 H SER 48 H SER 48 8.931 10.295 -5.824 340 HA SER 48 HA SER 48 6.520 11.956 -5.558 341 HB2 SER 48 1HB SER 48 7.787 13.121 -3.639 342 HB3 SER 48 2HB SER 48 7.049 11.556 -3.297 343 HG SER 48 HG SER 48 9.114 10.611 -3.648 344 H ARG 49 H ARG 49 6.620 13.790 -6.677 345 HA ARG 49 HA ARG 49 9.256 14.678 -7.646 346 HB2 ARG 49 1HB ARG 49 6.601 14.469 -8.930 347 HB3 ARG 49 2HB ARG 49 7.521 15.919 -9.312 348 HG2 ARG 49 1HG ARG 49 8.502 13.093 -9.655 349 HG3 ARG 49 2HG ARG 49 7.881 14.129 -10.941 350 HD2 ARG 49 1HD ARG 49 10.017 15.328 -9.328 351 HD3 ARG 49 2HD ARG 49 10.505 13.903 -10.246 352 HE ARG 49 HE ARG 49 9.037 15.793 -11.819 353 HH11 ARG 49 1HH1 ARG 49 12.181 14.988 -10.557 354 HH12 ARG 49 2HH1 ARG 49 13.041 15.832 -11.802 355 HH21 ARG 49 1HH2 ARG 49 10.158 16.907 -13.464 356 HH22 ARG 49 2HH2 ARG 49 11.889 16.924 -13.454 357 HA PRO 50 HA PRO 50 7.057 18.828 -6.713 358 HB2 PRO 50 1HB PRO 50 4.425 18.790 -6.049 359 HB3 PRO 50 2HB PRO 50 4.993 18.873 -7.721 360 HG2 PRO 50 1HG PRO 50 4.035 16.504 -6.161 361 HG3 PRO 50 2HG PRO 50 3.672 16.962 -7.835 362 HD2 PRO 50 1HD PRO 50 5.503 15.068 -7.206 363 HD3 PRO 50 2HD PRO 50 5.664 16.116 -8.630 364 H LEU 51 H LEU 51 7.059 16.102 -4.844 365 HA LEU 51 HA LEU 51 6.425 17.538 -2.362 366 HB2 LEU 51 1HB LEU 51 6.948 14.593 -2.611 367 HB3 LEU 51 2HB LEU 51 6.120 15.452 -1.314 368 HG LEU 51 HG LEU 51 5.096 14.719 -4.037 369 HD11 LEU 51 1HD1 LEU 51 4.831 13.138 -2.162 370 HD12 LEU 51 2HD1 LEU 51 3.291 13.733 -2.778 371 HD13 LEU 51 3HD1 LEU 51 3.945 14.376 -1.272 372 HD21 LEU 51 1HD2 LEU 51 3.262 16.176 -3.825 373 HD22 LEU 51 2HD2 LEU 51 4.681 17.166 -3.482 374 HD23 LEU 51 3HD2 LEU 51 3.671 16.583 -2.159 375 H THR 52 H THR 52 8.903 15.480 -3.846 376 HA THR 52 HA THR 52 10.950 16.865 -2.320 377 HB THR 52 HB THR 52 10.176 14.840 -0.961 378 HG1 THR 52 1HG THR 52 12.898 14.567 -1.602 379 HG21 THR 52 1HG2 THR 52 10.492 12.718 -1.698 380 HG22 THR 52 2HG2 THR 52 11.931 13.142 -2.626 381 HG23 THR 52 3HG2 THR 52 10.328 13.481 -3.279 382 H GLN 53 H GLN 53 13.009 16.733 -3.236 383 HA GLN 53 HA GLN 53 13.074 15.531 -5.924 384 HB2 GLN 53 1HB GLN 53 14.447 17.983 -4.827 385 HB3 GLN 53 2HB GLN 53 14.883 17.250 -6.364 386 HG2 GLN 53 1HG GLN 53 12.182 18.365 -5.644 387 HG3 GLN 53 2HG GLN 53 13.388 19.142 -6.668 388 HE21 GLN 53 1HE2 GLN 53 10.594 17.522 -6.762 389 HE22 GLN 53 2HE2 GLN 53 10.718 16.767 -8.311 390 H VAL 54 H VAL 54 14.932 16.102 -2.976 391 HA VAL 54 HA VAL 54 16.744 13.923 -3.791 392 HB VAL 54 HB VAL 54 18.548 14.993 -2.541 393 HG11 VAL 54 1HG1 VAL 54 17.308 16.090 -4.915 394 HG12 VAL 54 2HG1 VAL 54 18.246 17.306 -4.046 395 HG13 VAL 54 3HG1 VAL 54 19.012 15.803 -4.563 396 HG21 VAL 54 1HG2 VAL 54 17.347 17.618 -2.284 397 HG22 VAL 54 2HG2 VAL 54 16.512 16.412 -1.304 398 HG23 VAL 54 3HG2 VAL 54 18.245 16.668 -1.100 399 H GLY 55 H GLY 55 14.327 13.566 -2.348 400 HA2 GLY 55 1HA GLY 55 13.819 12.062 -0.625 401 HA3 GLY 55 2HA GLY 55 15.424 12.321 0.044 402 H GLY 56 H GLY 56 13.089 12.251 1.602 403 HA2 GLY 56 1HA GLY 56 13.203 14.956 2.724 404 HA3 GLY 56 2HA GLY 56 11.623 14.298 2.325 405 H ASP 57 H ASP 57 12.304 11.580 3.085 406 HA ASP 57 HA ASP 57 12.315 10.208 4.903 407 HB2 ASP 57 1HB ASP 57 13.422 12.467 6.560 408 HB3 ASP 57 2HB ASP 57 13.649 10.734 6.780 409 H HIS 58 H HIS 58 10.003 11.663 4.256 410 HA HIS 58 HA HIS 58 8.788 11.962 6.922 411 HB2 HIS 58 1HB HIS 58 8.623 13.746 4.541 412 HB3 HIS 58 2HB HIS 58 7.171 13.547 5.517 413 HD1 HIS 58 1HD HIS 58 7.107 15.793 6.638 414 HD2 HIS 58 2HD HIS 58 10.793 13.915 7.027 415 HE1 HIS 58 1HE HIS 58 8.411 17.201 8.263 416 H ILE 59 H ILE 59 8.968 9.658 5.085 417 HA ILE 59 HA ILE 59 6.224 9.336 4.149 418 HB ILE 59 HB ILE 59 8.721 7.699 3.812 419 HG12 ILE 59 1HG1 ILE 59 8.481 9.509 2.247 420 HG13 ILE 59 2HG1 ILE 59 8.121 8.010 1.396 421 HG21 ILE 59 1HG2 ILE 59 5.898 6.880 3.148 422 HG22 ILE 59 2HG2 ILE 59 7.342 6.074 2.536 423 HG23 ILE 59 3HG2 ILE 59 7.003 6.083 4.267 424 HD11 ILE 59 1HD1 ILE 59 5.651 8.669 2.142 425 HD12 ILE 59 2HD1 ILE 59 6.364 10.280 2.070 426 HD13 ILE 59 3HD1 ILE 59 6.389 9.240 0.646 427 H LYS 60 H LYS 60 4.806 7.784 4.910 428 HA LYS 60 HA LYS 60 5.602 6.348 7.351 429 HB2 LYS 60 1HB LYS 60 3.379 8.266 6.954 430 HB3 LYS 60 2HB LYS 60 2.997 6.813 7.868 431 HG2 LYS 60 1HG LYS 60 4.606 7.317 9.523 432 HG3 LYS 60 2HG LYS 60 5.329 8.587 8.533 433 HD2 LYS 60 1HD LYS 60 4.060 9.875 9.927 434 HD3 LYS 60 2HD LYS 60 2.873 9.572 8.656 435 HE2 LYS 60 1HE LYS 60 1.819 7.869 9.932 436 HE3 LYS 60 2HE LYS 60 3.135 7.840 11.104 437 HZ1 LYS 60 1HZ LYS 60 2.380 10.372 11.303 438 HZ2 LYS 60 2HZ LYS 60 1.718 9.138 12.252 439 HZ3 LYS 60 3HZ LYS 60 0.896 9.680 10.876 440 H ALA 61 H ALA 61 3.991 4.595 7.909 441 HA ALA 61 HA ALA 61 2.309 3.558 5.850 442 HB1 ALA 61 1HB ALA 61 5.054 2.413 6.194 443 HB2 ALA 61 2HB ALA 61 3.713 1.398 5.662 444 HB3 ALA 61 3HB ALA 61 4.185 2.805 4.710 445 H HIS 62 H HIS 62 0.932 2.002 6.616 446 HA HIS 62 HA HIS 62 1.492 0.701 9.157 447 HB2 HIS 62 1HB HIS 62 0.445 2.710 9.944 448 HB3 HIS 62 2HB HIS 62 -0.831 2.586 8.736 449 HD1 HIS 62 1HD HIS 62 -0.310 2.041 12.188 450 HD2 HIS 62 2HD HIS 62 -2.334 -0.031 9.209 451 HE1 HIS 62 1HE HIS 62 -1.943 0.557 13.393 452 H ILE 63 H ILE 63 1.138 -1.367 8.712 453 HA ILE 63 HA ILE 63 -0.880 -2.121 6.749 454 HB ILE 63 HB ILE 63 1.107 -3.856 8.220 455 HG12 ILE 63 1HG1 ILE 63 1.250 -3.070 5.321 456 HG13 ILE 63 2HG1 ILE 63 1.948 -2.043 6.569 457 HG21 ILE 63 1HG2 ILE 63 -1.166 -4.475 6.575 458 HG22 ILE 63 2HG2 ILE 63 0.318 -5.046 5.814 459 HG23 ILE 63 3HG2 ILE 63 -0.089 -5.562 7.450 460 HD11 ILE 63 1HD1 ILE 63 2.710 -4.862 5.872 461 HD12 ILE 63 2HD1 ILE 63 3.684 -3.400 5.713 462 HD13 ILE 63 3HD1 ILE 63 3.284 -4.024 7.314 463 H ALA 64 H ALA 64 -2.644 -3.411 7.175 464 HA ALA 64 HA ALA 64 -3.176 -4.067 9.992 465 HB1 ALA 64 1HB ALA 64 -5.107 -2.752 8.086 466 HB2 ALA 64 2HB ALA 64 -5.524 -3.370 9.685 467 HB3 ALA 64 3HB ALA 64 -4.388 -2.030 9.526 468 H ASN 65 H ASN 65 -3.369 -6.200 10.123 469 HA ASN 65 HA ASN 65 -3.995 -7.833 7.861 470 HB2 ASN 65 1HB ASN 65 -3.553 -8.411 10.786 471 HB3 ASN 65 2HB ASN 65 -4.023 -9.674 9.652 472 HD21 ASN 65 1HD2 ASN 65 -1.559 -9.252 11.227 473 HD22 ASN 65 2HD2 ASN 65 -0.271 -9.285 10.076 474 HA PRO 66 HA PRO 66 -8.366 -8.120 8.173 475 HB2 PRO 66 1HB PRO 66 -8.773 -10.658 7.301 476 HB3 PRO 66 2HB PRO 66 -8.298 -9.338 6.226 477 HG2 PRO 66 1HG PRO 66 -6.605 -11.473 7.466 478 HG3 PRO 66 2HG PRO 66 -6.572 -10.840 5.810 479 HD2 PRO 66 1HD PRO 66 -4.792 -10.070 7.700 480 HD3 PRO 66 2HD PRO 66 -5.346 -8.983 6.410 481 H SER 67 H SER 67 -6.324 -9.753 10.225 482 HA SER 67 HA SER 67 -8.529 -11.070 11.659 483 HB2 SER 67 1HB SER 67 -5.598 -11.612 11.460 484 HB3 SER 67 2HB SER 67 -6.434 -12.056 12.948 485 HG SER 67 HG SER 67 -7.267 -13.687 11.935 486 H GLY 68 H GLY 68 -6.257 -8.493 11.789 487 HA2 GLY 68 1HA GLY 68 -7.015 -6.737 13.430 488 HA3 GLY 68 2HA GLY 68 -6.938 -8.023 14.626 489 H ALA 69 H ALA 69 -4.495 -9.145 13.355 490 HA ALA 69 HA ALA 69 -2.580 -7.809 14.929 491 HB1 ALA 69 1HB ALA 69 -2.566 -10.025 12.982 492 HB2 ALA 69 2HB ALA 69 -1.027 -9.199 13.234 493 HB3 ALA 69 3HB ALA 69 -1.871 -9.927 14.601 494 H SER 70 H SER 70 -0.433 -7.051 13.938 495 HA SER 70 HA SER 70 -0.904 -5.430 11.532 496 HB2 SER 70 1HB SER 70 0.329 -3.547 12.640 497 HB3 SER 70 2HB SER 70 -1.231 -3.909 13.379 498 HG SER 70 HG SER 70 -0.203 -4.257 15.164 499 H THR 71 H THR 71 0.730 -5.434 10.109 500 HA THR 71 HA THR 71 3.064 -7.050 10.716 501 HB THR 71 HB THR 71 2.285 -5.706 8.120 502 HG1 THR 71 1HG THR 71 0.782 -7.305 8.714 503 HG21 THR 71 1HG2 THR 71 3.902 -8.025 7.782 504 HG22 THR 71 2HG2 THR 71 4.700 -6.958 8.938 505 HG23 THR 71 3HG2 THR 71 4.265 -6.358 7.338 506 H GLU 72 H GLU 72 5.182 -6.353 10.678 507 HA GLU 72 HA GLU 72 5.575 -3.548 11.260 508 HB2 GLU 72 1HB GLU 72 6.691 -5.540 12.452 509 HB3 GLU 72 2HB GLU 72 7.751 -5.616 11.052 510 HG2 GLU 72 1HG GLU 72 8.779 -3.623 11.546 511 HG3 GLU 72 2HG GLU 72 7.410 -3.026 12.483 512 H CYS 73 H CYS 73 6.248 -2.051 9.873 513 HA CYS 73 HA CYS 73 7.354 -2.943 7.293 514 HB2 CYS 73 1HB CYS 73 6.453 -0.830 6.356 515 HB3 CYS 73 2HB CYS 73 5.196 -1.879 7.000 516 HG CYS 73 HG CYS 73 5.128 -0.379 9.472 517 H PHE 74 H PHE 74 8.938 -1.546 6.287 518 HA PHE 74 HA PHE 74 10.363 0.220 8.150 519 HB2 PHE 74 1HB PHE 74 11.622 -1.951 6.462 520 HB3 PHE 74 2HB PHE 74 12.521 -0.723 7.346 521 HD1 PHE 74 1HD PHE 74 9.984 -3.396 7.874 522 HD2 PHE 74 2HD PHE 74 13.228 -1.169 9.495 523 HE1 PHE 74 1HE PHE 74 9.968 -4.832 9.872 524 HE2 PHE 74 2HE PHE 74 13.218 -2.602 11.495 525 HZ PHE 74 HZ PHE 74 11.587 -4.437 11.685 526 H VAL 75 H VAL 75 10.123 2.148 7.203 527 HA VAL 75 HA VAL 75 10.201 2.404 4.310 528 HB VAL 75 HB VAL 75 9.662 4.766 4.691 529 HG11 VAL 75 1HG1 VAL 75 7.590 3.998 6.379 530 HG12 VAL 75 2HG1 VAL 75 7.592 3.952 4.614 531 HG13 VAL 75 3HG1 VAL 75 8.052 2.520 5.535 532 HG21 VAL 75 1HG2 VAL 75 9.987 4.017 7.587 533 HG22 VAL 75 2HG2 VAL 75 10.832 5.276 6.687 534 HG23 VAL 75 3HG2 VAL 75 9.118 5.458 7.059 535 H THR 76 H THR 76 11.876 3.137 3.151 536 HA THR 76 HA THR 76 14.127 4.398 4.560 537 HB THR 76 HB THR 76 14.407 2.230 2.470 538 HG1 THR 76 1HG THR 76 15.404 2.018 5.087 539 HG21 THR 76 1HG2 THR 76 16.577 3.541 4.099 540 HG22 THR 76 2HG2 THR 76 16.145 4.064 2.471 541 HG23 THR 76 3HG2 THR 76 16.761 2.434 2.740 542 H ASP 77 H ASP 77 14.857 6.189 3.604 543 HA ASP 77 HA ASP 77 13.750 6.916 1.001 544 HB2 ASP 77 1HB ASP 77 13.510 8.553 2.792 545 HB3 ASP 77 2HB ASP 77 15.252 8.558 3.051 546 H ASN 78 H ASN 78 14.910 6.979 -0.818 547 HA ASN 78 HA ASN 78 17.679 6.133 -0.730 548 HB2 ASN 78 1HB ASN 78 15.778 6.665 -3.019 549 HB3 ASN 78 2HB ASN 78 17.451 6.162 -3.242 550 HD21 ASN 78 1HD2 ASN 78 14.266 5.187 -2.492 551 HD22 ASN 78 2HD2 ASN 78 14.582 3.499 -2.303 552 H ALA 79 H ALA 79 16.471 8.960 -0.079 553 HA ALA 79 HA ALA 79 17.014 11.164 -0.411 554 HB1 ALA 79 1HB ALA 79 19.775 11.043 -0.790 555 HB2 ALA 79 2HB ALA 79 18.914 11.211 0.741 556 HB3 ALA 79 3HB ALA 79 19.373 9.611 0.159 557 H ASP 80 H ASP 80 16.349 9.687 -2.852 558 HA ASP 80 HA ASP 80 17.859 11.322 -4.784 559 HB2 ASP 80 1HB ASP 80 18.188 8.760 -4.849 560 HB3 ASP 80 2HB ASP 80 16.556 8.709 -5.510 561 H GLY 81 H GLY 81 14.877 10.680 -3.382 562 HA2 GLY 81 1HA GLY 81 13.185 12.418 -4.004 563 HA3 GLY 81 2HA GLY 81 13.462 11.914 -5.665 564 H THR 82 H THR 82 13.660 9.216 -3.764 565 HA THR 82 HA THR 82 10.779 8.682 -3.804 566 HB THR 82 HB THR 82 11.308 6.364 -4.726 567 HG1 THR 82 1HG THR 82 13.606 7.636 -5.801 568 HG21 THR 82 1HG2 THR 82 11.925 7.950 -7.031 569 HG22 THR 82 2HG2 THR 82 10.768 8.814 -6.017 570 HG23 THR 82 3HG2 THR 82 10.400 7.186 -6.586 571 H TYR 83 H TYR 83 10.269 6.583 -2.677 572 HA TYR 83 HA TYR 83 12.199 6.061 -0.513 573 HB2 TYR 83 1HB TYR 83 9.190 6.258 -0.265 574 HB3 TYR 83 2HB TYR 83 10.287 5.794 1.030 575 HD1 TYR 83 1HD TYR 83 9.330 8.586 -1.208 576 HD2 TYR 83 2HD TYR 83 11.405 7.429 2.321 577 HE1 TYR 83 1HE TYR 83 9.593 10.953 -0.594 578 HE2 TYR 83 2HE TYR 83 11.673 9.792 2.946 579 HH TYR 83 HH TYR 83 10.099 12.091 2.168 580 H GLN 84 H GLN 84 11.786 3.962 0.611 581 HA GLN 84 HA GLN 84 10.518 1.948 -1.093 582 HB2 GLN 84 1HB GLN 84 12.973 2.092 -1.629 583 HB3 GLN 84 2HB GLN 84 13.300 1.595 0.026 584 HG2 GLN 84 1HG GLN 84 13.425 -0.417 -1.024 585 HG3 GLN 84 2HG GLN 84 11.713 -0.400 -0.605 586 HE21 GLN 84 1HE2 GLN 84 10.414 -0.986 -2.175 587 HE22 GLN 84 2HE2 GLN 84 10.708 -0.808 -3.868 588 H VAL 85 H VAL 85 9.033 1.074 0.190 589 HA VAL 85 HA VAL 85 9.681 0.636 3.024 590 HB VAL 85 HB VAL 85 6.977 0.656 1.677 591 HG11 VAL 85 1HG1 VAL 85 6.074 -0.107 3.568 592 HG12 VAL 85 2HG1 VAL 85 7.710 -0.573 4.040 593 HG13 VAL 85 3HG1 VAL 85 7.047 0.977 4.562 594 HG21 VAL 85 1HG2 VAL 85 7.741 2.880 1.672 595 HG22 VAL 85 2HG2 VAL 85 6.710 2.754 3.098 596 HG23 VAL 85 3HG2 VAL 85 8.464 2.723 3.273 597 H GLU 86 H GLU 86 10.052 -1.362 3.716 598 HA GLU 86 HA GLU 86 9.096 -3.612 2.070 599 HB2 GLU 86 1HB GLU 86 11.548 -3.359 2.023 600 HB3 GLU 86 2HB GLU 86 11.589 -3.486 3.776 601 HG2 GLU 86 1HG GLU 86 10.371 -5.758 3.338 602 HG3 GLU 86 2HG GLU 86 11.080 -5.589 1.733 603 H TYR 87 H TYR 87 7.991 -5.222 3.048 604 HA TYR 87 HA TYR 87 7.988 -5.468 5.941 605 HB2 TYR 87 1HB TYR 87 5.655 -5.131 6.250 606 HB3 TYR 87 2HB TYR 87 6.229 -3.750 5.321 607 HD1 TYR 87 2HD TYR 87 4.409 -6.963 5.078 608 HD2 TYR 87 1HD TYR 87 5.368 -3.286 3.164 609 HE1 TYR 87 2HE TYR 87 2.707 -7.419 3.362 610 HE2 TYR 87 1HE TYR 87 3.668 -3.731 1.443 611 HH TYR 87 HH TYR 87 2.452 -5.553 0.484 612 H THR 88 H THR 88 7.093 -7.441 6.690 613 HA THR 88 HA THR 88 6.628 -9.443 4.576 614 HB THR 88 HB THR 88 7.956 -10.073 7.209 615 HG1 THR 88 1HG THR 88 9.038 -9.073 4.818 616 HG21 THR 88 1HG2 THR 88 8.350 -12.169 6.351 617 HG22 THR 88 2HG2 THR 88 8.319 -11.609 4.679 618 HG23 THR 88 3HG2 THR 88 6.812 -11.795 5.576 619 HA PRO 89 HA PRO 89 2.826 -9.612 7.028 620 HB2 PRO 89 1HB PRO 89 1.392 -10.878 5.102 621 HB3 PRO 89 2HB PRO 89 1.672 -9.133 5.100 622 HG2 PRO 89 1HG PRO 89 3.085 -11.280 3.565 623 HG3 PRO 89 2HG PRO 89 2.540 -9.685 3.014 624 HD2 PRO 89 1HD PRO 89 5.115 -10.195 3.678 625 HD3 PRO 89 2HD PRO 89 4.360 -8.608 3.929 626 H PHE 90 H PHE 90 2.320 -11.163 8.442 627 HA PHE 90 HA PHE 90 3.242 -13.900 7.896 628 HB2 PHE 90 1HB PHE 90 2.855 -14.118 10.452 629 HB3 PHE 90 2HB PHE 90 4.260 -13.221 9.885 630 HD1 PHE 90 1HD PHE 90 0.693 -12.644 10.808 631 HD2 PHE 90 2HD PHE 90 4.685 -11.167 10.816 632 HE1 PHE 90 1HE PHE 90 -0.037 -10.688 12.110 633 HE2 PHE 90 2HE PHE 90 3.962 -9.209 12.120 634 HZ PHE 90 HZ PHE 90 1.599 -8.968 12.769 635 H GLU 91 H GLU 91 0.723 -12.680 6.933 636 HA GLU 91 HA GLU 91 -1.046 -14.806 7.823 637 HB2 GLU 91 1HB GLU 91 -1.513 -11.911 8.366 638 HB3 GLU 91 2HB GLU 91 -2.894 -12.907 7.931 639 HG2 GLU 91 1HG GLU 91 -1.033 -13.765 10.104 640 HG3 GLU 91 2HG GLU 91 -2.299 -12.581 10.419 641 H LYS 92 H LYS 92 -2.114 -15.630 6.146 642 HA LYS 92 HA LYS 92 -1.857 -14.408 3.552 643 HB2 LYS 92 1HB LYS 92 -3.455 -16.869 4.250 644 HB3 LYS 92 2HB LYS 92 -2.793 -16.427 2.682 645 HG2 LYS 92 1HG LYS 92 -0.508 -16.645 3.698 646 HG3 LYS 92 2HG LYS 92 -1.290 -17.331 5.124 647 HD2 LYS 92 1HD LYS 92 -1.959 -18.485 2.466 648 HD3 LYS 92 2HD LYS 92 -0.379 -18.857 3.159 649 HE2 LYS 92 1HE LYS 92 -2.778 -19.126 4.896 650 HE3 LYS 92 2HE LYS 92 -2.512 -20.347 3.652 651 HZ1 LYS 92 1HZ LYS 92 -0.854 -19.700 5.995 652 HZ2 LYS 92 2HZ LYS 92 -0.141 -20.408 4.635 653 HZ3 LYS 92 3HZ LYS 92 -1.389 -21.209 5.449 654 H GLY 93 H GLY 93 -3.099 -12.583 3.418 655 HA2 GLY 93 1HA GLY 93 -5.842 -12.875 2.835 656 HA3 GLY 93 2HA GLY 93 -5.671 -12.240 4.464 657 H LEU 94 H LEU 94 -6.914 -10.463 3.335 658 HA LEU 94 HA LEU 94 -5.173 -8.687 1.786 659 HB2 LEU 94 1HB LEU 94 -7.245 -8.960 0.724 660 HB3 LEU 94 2HB LEU 94 -8.136 -8.812 2.238 661 HG LEU 94 HG LEU 94 -7.568 -6.412 2.305 662 HD11 LEU 94 1HD1 LEU 94 -6.660 -6.543 -0.527 663 HD12 LEU 94 2HD1 LEU 94 -5.502 -6.885 0.758 664 HD13 LEU 94 3HD1 LEU 94 -6.332 -5.330 0.711 665 HD21 LEU 94 1HD2 LEU 94 -9.020 -7.534 -0.070 666 HD22 LEU 94 2HD2 LEU 94 -8.933 -5.797 0.229 667 HD23 LEU 94 3HD2 LEU 94 -9.685 -6.861 1.419 668 H HIS 95 H HIS 95 -4.069 -7.199 2.856 669 HA HIS 95 HA HIS 95 -5.103 -6.227 5.427 670 HB2 HIS 95 1HB HIS 95 -2.349 -5.549 4.533 671 HB3 HIS 95 2HB HIS 95 -2.945 -5.942 6.143 672 HD2 HIS 95 2HD HIS 95 -0.442 -7.437 4.134 673 HE1 HIS 95 1HE HIS 95 -2.746 -10.823 5.245 674 HE2 HIS 95 2HE HIS 95 -0.518 -10.009 4.395 675 H VAL 96 H VAL 96 -4.874 -3.947 5.931 676 HA VAL 96 HA VAL 96 -5.277 -2.279 3.542 677 HB VAL 96 HB VAL 96 -6.151 -1.805 6.396 678 HG11 VAL 96 1HG1 VAL 96 -7.028 0.242 5.778 679 HG12 VAL 96 2HG1 VAL 96 -5.512 0.207 4.876 680 HG13 VAL 96 3HG1 VAL 96 -7.034 -0.160 4.061 681 HG21 VAL 96 1HG2 VAL 96 -7.499 -2.860 3.961 682 HG22 VAL 96 2HG2 VAL 96 -7.662 -3.356 5.645 683 HG23 VAL 96 3HG2 VAL 96 -8.434 -1.873 5.084 684 H VAL 97 H VAL 97 -3.424 -1.325 2.973 685 HA VAL 97 HA VAL 97 -1.526 -0.452 5.001 686 HB VAL 97 HB VAL 97 -1.361 -0.400 1.985 687 HG11 VAL 97 1HG1 VAL 97 0.230 0.926 4.014 688 HG12 VAL 97 2HG1 VAL 97 1.198 -0.158 3.013 689 HG13 VAL 97 3HG1 VAL 97 0.244 1.121 2.261 690 HG21 VAL 97 1HG2 VAL 97 0.409 -2.053 3.707 691 HG22 VAL 97 2HG2 VAL 97 -1.251 -2.593 3.463 692 HG23 VAL 97 3HG2 VAL 97 -0.188 -2.358 2.076 693 H GLU 98 H GLU 98 -1.499 1.544 5.783 694 HA GLU 98 HA GLU 98 -2.945 3.646 4.328 695 HB2 GLU 98 1HB GLU 98 -2.336 3.187 7.224 696 HB3 GLU 98 2HB GLU 98 -2.646 4.820 6.652 697 HG2 GLU 98 1HG GLU 98 -4.842 4.341 6.080 698 HG3 GLU 98 2HG GLU 98 -4.554 2.603 6.038 699 H VAL 99 H VAL 99 -1.650 4.826 3.082 700 HA VAL 99 HA VAL 99 1.078 5.410 3.998 701 HB VAL 99 HB VAL 99 -0.030 5.941 1.246 702 HG11 VAL 99 1HG1 VAL 99 2.120 6.373 0.595 703 HG12 VAL 99 2HG1 VAL 99 2.190 6.935 2.267 704 HG13 VAL 99 3HG1 VAL 99 2.823 5.344 1.843 705 HG21 VAL 99 1HG2 VAL 99 0.622 3.407 2.494 706 HG22 VAL 99 2HG2 VAL 99 -0.152 3.735 0.944 707 HG23 VAL 99 3HG2 VAL 99 1.607 3.715 1.064 708 H THR 100 H THR 100 1.633 7.387 4.644 709 HA THR 100 HA THR 100 -0.067 9.662 3.878 710 HB THR 100 HB THR 100 0.232 10.603 6.168 711 HG1 THR 100 1HG THR 100 1.427 8.067 6.564 712 HG21 THR 100 1HG2 THR 100 -1.114 7.916 6.319 713 HG22 THR 100 2HG2 THR 100 -1.791 9.256 5.393 714 HG23 THR 100 3HG2 THR 100 -1.561 9.414 7.134 715 H TYR 101 H TYR 101 1.142 11.062 2.796 716 HA TYR 101 HA TYR 101 4.020 11.177 3.294 717 HB2 TYR 101 1HB TYR 101 3.153 10.941 0.962 718 HB3 TYR 101 2HB TYR 101 2.421 12.534 1.115 719 HD1 TYR 101 1HD TYR 101 4.086 14.453 1.823 720 HD2 TYR 101 2HD TYR 101 5.265 10.776 0.036 721 HE1 TYR 101 1HE TYR 101 6.187 15.495 1.080 722 HE2 TYR 101 2HE TYR 101 7.369 11.808 -0.711 723 HH TYR 101 HH TYR 101 8.075 15.227 -0.054 724 H ASP 102 H ASP 102 4.756 12.618 4.692 725 HA ASP 102 HA ASP 102 5.040 14.532 5.888 726 HB2 ASP 102 1HB ASP 102 4.965 15.443 3.467 727 HB3 ASP 102 2HB ASP 102 3.343 15.992 3.879 728 H ASP 103 H ASP 103 2.964 12.855 6.674 729 HA ASP 103 HA ASP 103 1.233 12.821 8.154 730 HB2 ASP 103 1HB ASP 103 1.491 15.834 8.205 731 HB3 ASP 103 2HB ASP 103 0.681 14.826 9.401 732 H VAL 104 H VAL 104 0.794 12.973 5.306 733 HA VAL 104 HA VAL 104 -2.004 13.789 5.367 734 HB VAL 104 HB VAL 104 -0.086 14.778 3.251 735 HG11 VAL 104 1HG1 VAL 104 -2.155 14.203 2.201 736 HG12 VAL 104 2HG1 VAL 104 -3.084 14.993 3.476 737 HG13 VAL 104 3HG1 VAL 104 -2.104 15.957 2.370 738 HG21 VAL 104 1HG2 VAL 104 0.147 16.149 5.165 739 HG22 VAL 104 2HG2 VAL 104 -0.919 17.024 4.065 740 HG23 VAL 104 3HG2 VAL 104 -1.593 16.170 5.453 741 HA PRO 105 HA PRO 105 -2.237 9.885 3.272 742 HB2 PRO 105 1HB PRO 105 -4.904 9.959 2.768 743 HB3 PRO 105 2HB PRO 105 -4.238 9.603 4.366 744 HG2 PRO 105 1HG PRO 105 -5.334 12.177 3.301 745 HG3 PRO 105 2HG PRO 105 -5.588 11.423 4.886 746 HD2 PRO 105 1HD PRO 105 -3.837 13.452 4.502 747 HD3 PRO 105 2HD PRO 105 -3.572 12.177 5.709 748 H ILE 106 H ILE 106 -2.338 9.141 1.176 749 HA ILE 106 HA ILE 106 -2.455 11.202 -0.890 750 HB ILE 106 HB ILE 106 -1.683 9.159 -2.332 751 HG12 ILE 106 1HG1 ILE 106 -0.794 8.264 0.415 752 HG13 ILE 106 2HG1 ILE 106 -2.140 7.540 -0.459 753 HG21 ILE 106 1HG2 ILE 106 -0.232 10.981 -2.060 754 HG22 ILE 106 2HG2 ILE 106 -0.031 10.674 -0.336 755 HG23 ILE 106 3HG2 ILE 106 0.696 9.584 -1.516 756 HD11 ILE 106 1HD1 ILE 106 -0.365 7.210 -2.337 757 HD12 ILE 106 2HD1 ILE 106 0.780 7.383 -1.006 758 HD13 ILE 106 3HD1 ILE 106 -0.433 6.104 -0.966 759 HA PRO 107 HA PRO 107 -6.304 9.972 -2.604 760 HB2 PRO 107 1HB PRO 107 -5.850 10.266 -5.265 761 HB3 PRO 107 2HB PRO 107 -6.021 11.637 -4.162 762 HG2 PRO 107 1HG PRO 107 -3.531 10.378 -5.248 763 HG3 PRO 107 2HG PRO 107 -3.926 12.097 -5.060 764 HD2 PRO 107 1HD PRO 107 -2.345 10.764 -3.311 765 HD3 PRO 107 2HD PRO 107 -3.405 12.099 -2.814 766 H ASN 108 H ASN 108 -3.656 8.042 -2.777 767 HA ASN 108 HA ASN 108 -4.974 6.024 -4.464 768 HB2 ASN 108 1HB ASN 108 -2.107 5.938 -3.530 769 HB3 ASN 108 2HB ASN 108 -2.847 5.044 -4.854 770 HD21 ASN 108 1HD2 ASN 108 -3.859 6.531 -6.557 771 HD22 ASN 108 2HD2 ASN 108 -2.880 7.863 -7.060 772 H SER 109 H SER 109 -4.334 6.857 -1.267 773 HA SER 109 HA SER 109 -4.529 4.069 -0.353 774 HB2 SER 109 1HB SER 109 -3.330 6.538 0.792 775 HB3 SER 109 2HB SER 109 -4.051 5.398 1.929 776 HG SER 109 HG SER 109 -2.238 4.557 -0.067 777 HA PRO 110 HA PRO 110 -4.725 3.541 2.076 778 HB2 PRO 110 1HB PRO 110 -6.401 1.536 2.813 779 HB3 PRO 110 2HB PRO 110 -6.151 2.987 3.791 780 HG2 PRO 110 1HG PRO 110 -8.381 2.338 1.902 781 HG3 PRO 110 2HG PRO 110 -8.458 3.080 3.511 782 HD2 PRO 110 1HD PRO 110 -8.612 4.529 1.228 783 HD3 PRO 110 2HD PRO 110 -7.877 5.164 2.714 784 H PHE 111 H PHE 111 -4.137 1.241 1.629 785 HA PHE 111 HA PHE 111 -4.898 0.515 -1.123 786 HB2 PHE 111 1HB PHE 111 -2.295 0.289 0.363 787 HB3 PHE 111 2HB PHE 111 -2.628 -0.735 -1.030 788 HD1 PHE 111 1HD PHE 111 -3.387 0.504 -3.189 789 HD2 PHE 111 2HD PHE 111 -1.335 2.358 0.046 790 HE1 PHE 111 1HE PHE 111 -2.655 2.309 -4.692 791 HE2 PHE 111 2HE PHE 111 -0.601 4.167 -1.451 792 HZ PHE 111 HZ PHE 111 -1.261 4.145 -3.824 793 H LYS 112 H LYS 112 -4.787 -1.814 -1.630 794 HA LYS 112 HA LYS 112 -5.415 -3.503 0.697 795 HB2 LYS 112 1HB LYS 112 -6.989 -3.029 -1.782 796 HB3 LYS 112 2HB LYS 112 -6.954 -4.671 -1.152 797 HG2 LYS 112 1HG LYS 112 -8.064 -4.095 0.787 798 HG3 LYS 112 2HG LYS 112 -7.603 -2.395 0.668 799 HD2 LYS 112 1HD LYS 112 -9.295 -3.513 -1.499 800 HD3 LYS 112 2HD LYS 112 -10.052 -3.253 0.074 801 HE2 LYS 112 1HE LYS 112 -9.524 -0.937 0.037 802 HE3 LYS 112 2HE LYS 112 -8.462 -1.135 -1.356 803 HZ1 LYS 112 1HZ LYS 112 -10.928 -0.266 -1.588 804 HZ2 LYS 112 2HZ LYS 112 -11.256 -1.923 -1.675 805 HZ3 LYS 112 3HZ LYS 112 -10.200 -1.211 -2.788 806 H VAL 113 H VAL 113 -3.802 -4.919 0.843 807 HA VAL 113 HA VAL 113 -2.633 -6.010 -1.622 808 HB VAL 113 HB VAL 113 -1.570 -6.073 1.206 809 HG11 VAL 113 1HG1 VAL 113 -0.119 -7.626 0.567 810 HG12 VAL 113 2HG1 VAL 113 -0.981 -7.758 -0.968 811 HG13 VAL 113 3HG1 VAL 113 0.379 -6.645 -0.811 812 HG21 VAL 113 1HG2 VAL 113 0.253 -4.683 -0.171 813 HG22 VAL 113 2HG2 VAL 113 -1.187 -4.247 -1.092 814 HG23 VAL 113 3HG2 VAL 113 -1.117 -3.923 0.640 815 H ALA 114 H ALA 114 -3.805 -7.744 -2.222 816 HA ALA 114 HA ALA 114 -4.852 -9.604 -0.268 817 HB1 ALA 114 1HB ALA 114 -5.185 -10.713 -2.803 818 HB2 ALA 114 2HB ALA 114 -6.379 -9.812 -1.869 819 HB3 ALA 114 3HB ALA 114 -5.356 -8.973 -3.035 820 H VAL 115 H VAL 115 -3.083 -10.577 0.694 821 HA VAL 115 HA VAL 115 -0.934 -11.712 -0.808 822 HB VAL 115 HB VAL 115 -1.760 -12.156 2.063 823 HG11 VAL 115 1HG1 VAL 115 -0.383 -13.991 0.986 824 HG12 VAL 115 2HG1 VAL 115 0.912 -12.801 0.843 825 HG13 VAL 115 3HG1 VAL 115 0.297 -13.250 2.434 826 HG21 VAL 115 1HG2 VAL 115 -1.050 -10.019 2.188 827 HG22 VAL 115 2HG2 VAL 115 0.550 -10.762 2.157 828 HG23 VAL 115 3HG2 VAL 115 -0.151 -10.117 0.673 829 H THR 116 H THR 116 -0.505 -13.858 -1.271 830 HA THR 116 HA THR 116 -2.714 -15.759 -0.853 831 HB THR 116 HB THR 116 -2.813 -15.015 -3.172 832 HG1 THR 116 1HG THR 116 -1.828 -17.390 -3.856 833 HG21 THR 116 1HG2 THR 116 -0.348 -14.414 -3.268 834 HG22 THR 116 2HG2 THR 116 -1.012 -15.201 -4.700 835 HG23 THR 116 3HG2 THR 116 -0.040 -16.126 -3.556 836 H GLU 117 H GLU 117 -1.953 -18.067 -1.353 837 HA GLU 117 HA GLU 117 0.276 -18.627 0.336 838 HB2 GLU 117 1HB GLU 117 -1.543 -20.334 -1.346 839 HB3 GLU 117 2HB GLU 117 -0.163 -21.022 -0.502 840 HG2 GLU 117 1HG GLU 117 -1.077 -20.156 1.622 841 HG3 GLU 117 2HG GLU 117 -2.495 -19.587 0.743 842 H GLY 118 H GLY 118 2.293 -18.246 -0.325 843 HA2 GLY 118 1HA GLY 118 2.994 -18.805 -3.128 844 HA3 GLY 118 2HA GLY 118 3.901 -17.768 -2.037 845 H CYS 119 H CYS 119 5.802 -18.604 -1.531 846 HA CYS 119 HA CYS 119 6.007 -21.295 -0.527 847 HB2 CYS 119 1HB CYS 119 6.999 -20.558 -3.239 848 HB3 CYS 119 2HB CYS 119 8.007 -21.614 -2.257 849 HG CYS 119 HG CYS 119 6.824 -23.670 -3.253 850 H GLN 120 H GLN 120 7.769 -21.578 0.786 851 HA GLN 120 HA GLN 120 9.184 -19.175 1.537 852 HB2 GLN 120 1HB GLN 120 8.951 -21.942 2.655 853 HB3 GLN 120 2HB GLN 120 10.269 -20.905 3.185 854 HG2 GLN 120 1HG GLN 120 8.653 -19.218 3.902 855 HG3 GLN 120 2HG GLN 120 7.334 -20.265 3.379 856 HE21 GLN 120 1HE2 GLN 120 10.228 -20.365 5.430 857 HE22 GLN 120 2HE2 GLN 120 9.503 -21.280 6.703 858 HA PRO 121 HA PRO 121 12.928 -19.856 -0.650 859 HB2 PRO 121 1HB PRO 121 14.737 -18.810 1.083 860 HB3 PRO 121 2HB PRO 121 13.619 -17.814 0.144 861 HG2 PRO 121 1HG PRO 121 13.422 -18.709 2.994 862 HG3 PRO 121 2HG PRO 121 13.075 -17.117 2.294 863 HD2 PRO 121 1HD PRO 121 11.127 -18.896 2.904 864 HD3 PRO 121 2HD PRO 121 10.991 -17.760 1.547 865 H SER 122 H SER 122 14.208 -21.571 -0.947 866 HA SER 122 HA SER 122 15.016 -23.143 1.412 867 HB2 SER 122 1HB SER 122 13.373 -24.473 0.338 868 HB3 SER 122 2HB SER 122 13.999 -24.092 -1.266 869 HG SER 122 HG SER 122 15.647 -25.466 -0.970 870 H SER 123 H SER 123 17.137 -23.169 1.671 871 HA SER 123 HA SER 123 18.861 -22.687 -0.657 872 HB2 SER 123 1HB SER 123 19.000 -21.175 1.380 873 HB3 SER 123 2HB SER 123 19.673 -22.553 2.250 874 HG SER 123 HG SER 123 20.775 -21.662 -0.192 875 H GLY 124 H GLY 124 18.722 -24.692 2.289 876 HA2 GLY 124 1HA GLY 124 18.961 -27.143 1.837 877 HA3 GLY 124 2HA GLY 124 20.352 -26.700 0.858 878 HA PRO 125 HA PRO 125 21.632 -27.705 5.271 879 HB2 PRO 125 1HB PRO 125 23.238 -29.803 4.648 880 HB3 PRO 125 2HB PRO 125 21.514 -29.983 4.994 881 HG2 PRO 125 1HG PRO 125 22.914 -29.866 2.351 882 HG3 PRO 125 2HG PRO 125 21.605 -30.940 2.877 883 HD2 PRO 125 1HD PRO 125 21.167 -28.756 1.337 884 HD3 PRO 125 2HD PRO 125 19.981 -29.343 2.521 885 H SER 126 H SER 126 22.812 -25.764 5.243 886 HA SER 126 HA SER 126 24.618 -24.384 5.000 887 HB2 SER 126 1HB SER 126 25.500 -25.977 6.635 888 HB3 SER 126 2HB SER 126 26.047 -27.034 5.332 889 HG SER 126 HG SER 126 26.923 -24.403 5.236 890 H SER 127 H SER 127 23.517 -25.019 2.548 891 HA SER 127 HA SER 127 25.503 -25.931 0.702 892 HB2 SER 127 1HB SER 127 22.829 -24.575 0.347 893 HB3 SER 127 2HB SER 127 23.858 -25.015 -1.015 894 HG SER 127 HG SER 127 23.242 -27.006 -0.793 895 H GLY 128 H GLY 128 27.213 -24.808 0.067 896 HA2 GLY 128 1HA GLY 128 27.060 -22.173 -0.940 897 HA3 GLY 128 2HA GLY 128 27.707 -22.133 0.693 Start of MODEL 12 1 H1 GLY 1 H GLY 1 9.176 5.779 26.426 2 HA2 GLY 1 1HA GLY 1 8.099 6.144 23.905 3 HA3 GLY 1 2HA GLY 1 6.867 5.297 24.829 4 H SER 2 H SER 2 8.442 8.294 24.253 5 HA SER 2 HA SER 2 6.383 9.747 25.587 6 HB2 SER 2 1HB SER 2 7.873 10.925 27.204 7 HB3 SER 2 2HB SER 2 7.667 9.213 27.575 8 HG SER 2 HG SER 2 9.880 10.410 26.260 9 H SER 3 H SER 3 6.127 11.660 24.613 10 HA SER 3 HA SER 3 7.632 12.371 22.361 11 HB2 SER 3 1HB SER 3 5.811 14.126 24.026 12 HB3 SER 3 2HB SER 3 6.348 14.467 22.382 13 HG SER 3 HG SER 3 4.253 13.495 22.483 14 H GLY 4 H GLY 4 7.500 13.971 25.550 15 HA2 GLY 4 1HA GLY 4 9.504 14.653 26.690 16 HA3 GLY 4 2HA GLY 4 10.286 14.824 25.125 17 H SER 5 H SER 5 7.245 16.076 26.500 18 HA SER 5 HA SER 5 8.167 18.782 25.780 19 HB2 SER 5 1HB SER 5 5.995 19.381 25.096 20 HB3 SER 5 2HB SER 5 6.215 17.759 24.439 21 HG SER 5 HG SER 5 4.436 17.342 25.476 22 H SER 6 H SER 6 6.693 20.462 27.005 23 HA SER 6 HA SER 6 7.161 19.978 29.813 24 HB2 SER 6 1HB SER 6 6.362 22.354 28.170 25 HB3 SER 6 2HB SER 6 6.121 22.387 29.916 26 HG SER 6 HG SER 6 8.518 21.512 29.675 27 H GLY 7 H GLY 7 5.243 18.228 28.882 28 HA2 GLY 7 1HA GLY 7 3.108 17.468 29.270 29 HA3 GLY 7 2HA GLY 7 3.223 18.407 30.751 30 H HIS 8 H HIS 8 2.397 18.643 27.314 31 HA HIS 8 HA HIS 8 0.476 20.761 28.024 32 HB2 HIS 8 1HB HIS 8 2.333 20.545 25.676 33 HB3 HIS 8 2HB HIS 8 0.827 21.446 25.532 34 HD1 HIS 8 1HD HIS 8 4.256 21.930 26.345 35 HD2 HIS 8 2HD HIS 8 0.674 23.492 27.754 36 HE1 HIS 8 1HE HIS 8 4.870 24.069 27.517 37 H PHE 9 H PHE 9 -1.358 20.929 26.464 38 HA PHE 9 HA PHE 9 -2.031 18.353 25.226 39 HB2 PHE 9 1HB PHE 9 -3.624 19.876 27.268 40 HB3 PHE 9 2HB PHE 9 -4.432 18.837 26.099 41 HD1 PHE 9 1HD PHE 9 -3.675 16.396 25.978 42 HD2 PHE 9 2HD PHE 9 -2.740 18.989 29.220 43 HE1 PHE 9 1HE PHE 9 -3.234 14.443 27.408 44 HE2 PHE 9 2HE PHE 9 -2.296 17.041 30.655 45 HZ PHE 9 HZ PHE 9 -2.542 14.764 29.750 46 HA PRO 10 HA PRO 10 -3.126 20.950 21.827 47 HB2 PRO 10 1HB PRO 10 -4.485 19.101 20.376 48 HB3 PRO 10 2HB PRO 10 -2.722 19.115 20.505 49 HG2 PRO 10 1HG PRO 10 -4.717 17.445 21.986 50 HG3 PRO 10 2HG PRO 10 -3.168 16.964 21.270 51 HD2 PRO 10 1HD PRO 10 -3.463 17.441 23.919 52 HD3 PRO 10 2HD PRO 10 -1.950 17.773 23.051 53 H ALA 11 H ALA 11 -4.634 22.475 22.089 54 HA ALA 11 HA ALA 11 -7.300 21.774 23.026 55 HB1 ALA 11 1HB ALA 11 -6.966 24.563 22.382 56 HB2 ALA 11 2HB ALA 11 -7.302 23.800 23.937 57 HB3 ALA 11 3HB ALA 11 -5.637 23.985 23.387 58 H ARG 12 H ARG 12 -8.202 20.726 21.245 59 HA ARG 12 HA ARG 12 -9.001 20.472 19.093 60 HB2 ARG 12 1HB ARG 12 -10.145 23.027 20.177 61 HB3 ARG 12 2HB ARG 12 -10.606 22.449 18.582 62 HG2 ARG 12 1HG ARG 12 -10.803 20.640 20.952 63 HG3 ARG 12 2HG ARG 12 -12.059 21.838 20.629 64 HD2 ARG 12 1HD ARG 12 -11.112 19.761 18.658 65 HD3 ARG 12 2HD ARG 12 -12.548 19.604 19.668 66 HE ARG 12 HE ARG 12 -13.598 21.282 18.397 67 HH11 ARG 12 1HH1 ARG 12 -10.396 20.534 17.254 68 HH12 ARG 12 2HH1 ARG 12 -10.630 21.285 15.710 69 HH21 ARG 12 1HH2 ARG 12 -13.919 22.274 16.368 70 HH22 ARG 12 2HH2 ARG 12 -12.634 22.275 15.208 71 H VAL 13 H VAL 13 -6.396 21.307 18.882 72 HA VAL 13 HA VAL 13 -6.113 23.640 17.263 73 HB VAL 13 HB VAL 13 -3.824 22.844 16.845 74 HG11 VAL 13 1HG1 VAL 13 -3.923 24.088 18.790 75 HG12 VAL 13 2HG1 VAL 13 -4.913 22.892 19.629 76 HG13 VAL 13 3HG1 VAL 13 -3.199 22.583 19.355 77 HG21 VAL 13 1HG2 VAL 13 -4.993 20.315 17.706 78 HG22 VAL 13 2HG2 VAL 13 -3.550 20.625 16.740 79 HG23 VAL 13 3HG2 VAL 13 -3.461 20.681 18.500 80 H LYS 14 H LYS 14 -6.908 23.788 15.276 81 HA LYS 14 HA LYS 14 -6.885 21.398 13.558 82 HB2 LYS 14 1HB LYS 14 -9.094 22.542 14.093 83 HB3 LYS 14 2HB LYS 14 -8.522 23.894 13.124 84 HG2 LYS 14 1HG LYS 14 -9.868 22.626 11.690 85 HG3 LYS 14 2HG LYS 14 -8.209 22.224 11.241 86 HD2 LYS 14 1HD LYS 14 -8.316 20.134 12.342 87 HD3 LYS 14 2HD LYS 14 -9.806 20.570 13.182 88 HE2 LYS 14 1HE LYS 14 -10.741 20.814 10.746 89 HE3 LYS 14 2HE LYS 14 -9.390 19.756 10.341 90 HZ1 LYS 14 1HZ LYS 14 -10.326 18.359 12.304 91 HZ2 LYS 14 2HZ LYS 14 -11.040 18.251 10.774 92 HZ3 LYS 14 3HZ LYS 14 -11.761 19.193 11.979 93 H VAL 15 H VAL 15 -5.455 21.351 11.963 94 HA VAL 15 HA VAL 15 -4.525 23.901 10.820 95 HB VAL 15 HB VAL 15 -2.737 23.085 12.217 96 HG11 VAL 15 1HG1 VAL 15 -3.542 20.502 11.109 97 HG12 VAL 15 2HG1 VAL 15 -1.794 20.743 11.167 98 HG13 VAL 15 3HG1 VAL 15 -2.755 20.885 12.640 99 HG21 VAL 15 1HG2 VAL 15 -2.530 23.430 9.401 100 HG22 VAL 15 2HG2 VAL 15 -1.342 23.808 10.649 101 HG23 VAL 15 3HG2 VAL 15 -1.358 22.211 9.902 102 H GLU 16 H GLU 16 -4.522 24.020 8.652 103 HA GLU 16 HA GLU 16 -5.538 21.740 7.167 104 HB2 GLU 16 1HB GLU 16 -5.880 23.284 5.348 105 HB3 GLU 16 2HB GLU 16 -6.476 24.016 6.831 106 HG2 GLU 16 1HG GLU 16 -4.161 25.136 6.950 107 HG3 GLU 16 2HG GLU 16 -4.032 24.693 5.249 108 HA PRO 17 HA PRO 17 -1.693 20.447 5.479 109 HB2 PRO 17 1HB PRO 17 -2.531 19.424 3.108 110 HB3 PRO 17 2HB PRO 17 -2.824 18.624 4.656 111 HG2 PRO 17 1HG PRO 17 -4.665 20.335 3.030 112 HG3 PRO 17 2HG PRO 17 -5.007 18.817 3.880 113 HD2 PRO 17 1HD PRO 17 -5.672 21.237 4.895 114 HD3 PRO 17 2HD PRO 17 -5.219 19.862 5.923 115 H ALA 18 H ALA 18 -0.102 21.563 4.549 116 HA ALA 18 HA ALA 18 -0.791 23.519 2.459 117 HB1 ALA 18 1HB ALA 18 1.105 24.803 3.132 118 HB2 ALA 18 2HB ALA 18 0.194 24.389 4.585 119 HB3 ALA 18 3HB ALA 18 1.673 23.512 4.192 120 H VAL 19 H VAL 19 -0.038 20.537 2.332 121 HA VAL 19 HA VAL 19 2.075 20.859 0.302 122 HB VAL 19 HB VAL 19 2.857 19.682 2.386 123 HG11 VAL 19 1HG1 VAL 19 0.459 18.240 1.999 124 HG12 VAL 19 2HG1 VAL 19 1.795 17.109 1.774 125 HG13 VAL 19 3HG1 VAL 19 1.663 18.034 3.270 126 HG21 VAL 19 1HG2 VAL 19 2.894 18.248 -0.261 127 HG22 VAL 19 2HG2 VAL 19 4.095 19.370 0.379 128 HG23 VAL 19 3HG2 VAL 19 3.896 17.778 1.112 129 H ASP 20 H ASP 20 1.920 19.568 -1.548 130 HA ASP 20 HA ASP 20 -0.769 18.484 -2.025 131 HB2 ASP 20 1HB ASP 20 1.155 18.936 -4.259 132 HB3 ASP 20 2HB ASP 20 -0.596 19.124 -4.229 133 H THR 21 H THR 21 -0.865 16.361 -1.702 134 HA THR 21 HA THR 21 1.323 14.693 -2.762 135 HB THR 21 HB THR 21 0.936 13.075 -0.995 136 HG1 THR 21 1HG THR 21 -1.402 14.014 -0.801 137 HG21 THR 21 1HG2 THR 21 2.579 14.583 -0.324 138 HG22 THR 21 2HG2 THR 21 1.441 14.621 1.023 139 HG23 THR 21 3HG2 THR 21 1.434 15.915 -0.175 140 H SER 22 H SER 22 -0.922 15.479 -4.277 141 HA SER 22 HA SER 22 -2.641 13.107 -4.327 142 HB2 SER 22 1HB SER 22 -3.822 14.584 -6.149 143 HB3 SER 22 2HB SER 22 -4.035 14.960 -4.439 144 HG SER 22 HG SER 22 -1.956 16.140 -5.932 145 H ARG 23 H ARG 23 0.129 14.299 -5.776 146 HA ARG 23 HA ARG 23 -0.346 12.811 -8.267 147 HB2 ARG 23 1HB ARG 23 1.823 14.820 -7.629 148 HB3 ARG 23 2HB ARG 23 1.556 14.047 -9.186 149 HG2 ARG 23 1HG ARG 23 -0.512 15.190 -9.486 150 HG3 ARG 23 2HG ARG 23 -0.475 15.802 -7.831 151 HD2 ARG 23 1HD ARG 23 1.678 16.448 -9.825 152 HD3 ARG 23 2HD ARG 23 0.205 17.409 -9.694 153 HE ARG 23 HE ARG 23 1.547 17.050 -7.185 154 HH11 ARG 23 1HH1 ARG 23 1.425 18.948 -10.101 155 HH12 ARG 23 2HH1 ARG 23 2.143 20.348 -9.376 156 HH21 ARG 23 1HH2 ARG 23 2.493 18.887 -6.218 157 HH22 ARG 23 2HH2 ARG 23 2.751 20.312 -7.167 158 H ILE 24 H ILE 24 0.509 11.880 -5.461 159 HA ILE 24 HA ILE 24 3.157 10.811 -5.918 160 HB ILE 24 HB ILE 24 1.188 10.586 -3.661 161 HG12 ILE 24 1HG1 ILE 24 4.027 11.613 -3.873 162 HG13 ILE 24 2HG1 ILE 24 2.571 12.597 -3.759 163 HG21 ILE 24 1HG2 ILE 24 1.956 8.524 -3.256 164 HG22 ILE 24 2HG2 ILE 24 3.306 8.707 -4.375 165 HG23 ILE 24 3HG2 ILE 24 3.434 9.331 -2.730 166 HD11 ILE 24 1HD1 ILE 24 2.465 10.915 -1.551 167 HD12 ILE 24 2HD1 ILE 24 4.154 11.406 -1.674 168 HD13 ILE 24 3HD1 ILE 24 2.886 12.627 -1.570 169 H LYS 25 H LYS 25 3.577 8.976 -6.938 170 HA LYS 25 HA LYS 25 1.399 7.028 -7.288 171 HB2 LYS 25 1HB LYS 25 3.668 7.899 -9.010 172 HB3 LYS 25 2HB LYS 25 3.156 6.220 -9.125 173 HG2 LYS 25 1HG LYS 25 0.903 6.917 -9.690 174 HG3 LYS 25 2HG LYS 25 1.365 8.611 -9.507 175 HD2 LYS 25 1HD LYS 25 2.693 6.744 -11.460 176 HD3 LYS 25 2HD LYS 25 1.296 7.740 -11.876 177 HE2 LYS 25 1HE LYS 25 2.557 9.751 -11.292 178 HE3 LYS 25 2HE LYS 25 3.948 8.759 -10.858 179 HZ1 LYS 25 1HZ LYS 25 4.264 9.612 -13.049 180 HZ2 LYS 25 2HZ LYS 25 2.748 9.059 -13.556 181 HZ3 LYS 25 3HZ LYS 25 3.971 7.951 -13.181 182 H VAL 26 H VAL 26 1.806 4.815 -7.008 183 HA VAL 26 HA VAL 26 4.361 4.090 -5.758 184 HB VAL 26 HB VAL 26 3.055 2.660 -4.122 185 HG11 VAL 26 1HG1 VAL 26 3.182 4.290 -2.528 186 HG12 VAL 26 2HG1 VAL 26 4.108 5.067 -3.815 187 HG13 VAL 26 3HG1 VAL 26 2.420 5.507 -3.552 188 HG21 VAL 26 1HG2 VAL 26 0.899 3.120 -5.544 189 HG22 VAL 26 2HG2 VAL 26 0.796 2.927 -3.794 190 HG23 VAL 26 3HG2 VAL 26 0.772 4.540 -4.506 191 H PHE 27 H PHE 27 5.187 2.290 -6.593 192 HA PHE 27 HA PHE 27 3.371 0.318 -7.798 193 HB2 PHE 27 1HB PHE 27 5.104 -0.006 -9.606 194 HB3 PHE 27 2HB PHE 27 4.230 1.521 -9.674 195 HD1 PHE 27 2HD PHE 27 7.430 -0.053 -8.731 196 HD2 PHE 27 1HD PHE 27 5.354 3.586 -9.479 197 HE1 PHE 27 2HE PHE 27 9.568 1.164 -8.723 198 HE2 PHE 27 1HE PHE 27 7.488 4.809 -9.473 199 HZ PHE 27 HZ PHE 27 9.599 3.599 -9.094 200 H GLY 28 H GLY 28 4.230 -1.841 -7.933 201 HA2 GLY 28 1HA GLY 28 6.366 -3.143 -7.399 202 HA3 GLY 28 2HA GLY 28 6.251 -2.334 -5.843 203 HA PRO 29 HA PRO 29 3.804 -6.411 -6.010 204 HB2 PRO 29 1HB PRO 29 5.493 -7.937 -4.530 205 HB3 PRO 29 2HB PRO 29 5.590 -7.829 -6.291 206 HG2 PRO 29 1HG PRO 29 7.212 -6.409 -4.214 207 HG3 PRO 29 2HG PRO 29 7.747 -7.168 -5.725 208 HD2 PRO 29 1HD PRO 29 7.389 -4.495 -5.485 209 HD3 PRO 29 2HD PRO 29 7.103 -5.364 -7.006 210 H GLY 30 H GLY 30 5.657 -4.766 -3.499 211 HA2 GLY 30 1HA GLY 30 4.300 -5.818 -1.264 212 HA3 GLY 30 2HA GLY 30 5.183 -4.299 -1.302 213 H ILE 31 H ILE 31 3.408 -3.368 -3.550 214 HA ILE 31 HA ILE 31 1.124 -2.608 -1.857 215 HB ILE 31 HB ILE 31 2.668 -0.781 -2.651 216 HG12 ILE 31 1HG1 ILE 31 0.739 0.678 -3.465 217 HG13 ILE 31 2HG1 ILE 31 -0.261 -0.769 -3.380 218 HG21 ILE 31 1HG2 ILE 31 1.366 -1.167 -5.331 219 HG22 ILE 31 2HG2 ILE 31 2.713 -0.113 -4.905 220 HG23 ILE 31 3HG2 ILE 31 2.939 -1.861 -4.938 221 HD11 ILE 31 1HD1 ILE 31 -0.641 -0.316 -1.253 222 HD12 ILE 31 2HD1 ILE 31 1.071 -0.581 -0.918 223 HD13 ILE 31 3HD1 ILE 31 0.488 1.038 -1.303 224 H GLU 32 H GLU 32 2.049 -4.213 -4.740 225 HA GLU 32 HA GLU 32 -0.600 -4.038 -5.932 226 HB2 GLU 32 1HB GLU 32 1.940 -5.408 -6.821 227 HB3 GLU 32 2HB GLU 32 0.428 -5.486 -7.713 228 HG2 GLU 32 1HG GLU 32 1.507 -2.812 -7.007 229 HG3 GLU 32 2HG GLU 32 2.292 -3.724 -8.296 230 H GLY 33 H GLY 33 1.560 -6.523 -4.592 231 HA2 GLY 33 1HA GLY 33 0.659 -8.238 -3.150 232 HA3 GLY 33 2HA GLY 33 -0.830 -8.171 -4.081 233 H LYS 34 H LYS 34 2.531 -8.393 -5.196 234 HA LYS 34 HA LYS 34 1.782 -10.707 -6.813 235 HB2 LYS 34 1HB LYS 34 4.476 -9.381 -6.859 236 HB3 LYS 34 2HB LYS 34 3.658 -10.261 -8.143 237 HG2 LYS 34 1HG LYS 34 2.572 -7.674 -7.095 238 HG3 LYS 34 2HG LYS 34 3.828 -7.716 -8.333 239 HD2 LYS 34 1HD LYS 34 1.980 -7.683 -9.674 240 HD3 LYS 34 2HD LYS 34 2.149 -9.427 -9.459 241 HE2 LYS 34 1HE LYS 34 0.623 -8.933 -7.348 242 HE3 LYS 34 2HE LYS 34 0.140 -7.551 -8.329 243 HZ1 LYS 34 1HZ LYS 34 -0.049 -9.466 -10.133 244 HZ2 LYS 34 2HZ LYS 34 -1.331 -9.057 -9.109 245 HZ3 LYS 34 3HZ LYS 34 -0.355 -10.391 -8.749 246 H ASP 35 H ASP 35 4.762 -9.870 -5.048 247 HA ASP 35 HA ASP 35 4.988 -12.689 -4.258 248 HB2 ASP 35 1HB ASP 35 7.125 -10.556 -4.128 249 HB3 ASP 35 2HB ASP 35 7.343 -12.294 -3.947 250 H VAL 36 H VAL 36 3.237 -10.733 -2.938 251 HA VAL 36 HA VAL 36 4.499 -10.135 -0.406 252 HB VAL 36 HB VAL 36 1.559 -9.916 -1.033 253 HG11 VAL 36 1HG1 VAL 36 2.060 -7.873 0.584 254 HG12 VAL 36 2HG1 VAL 36 1.707 -9.488 1.200 255 HG13 VAL 36 3HG1 VAL 36 3.376 -8.928 1.096 256 HG21 VAL 36 1HG2 VAL 36 2.121 -7.509 -1.583 257 HG22 VAL 36 2HG2 VAL 36 3.802 -8.028 -1.710 258 HG23 VAL 36 3HG2 VAL 36 2.584 -8.710 -2.788 259 H PHE 37 H PHE 37 4.014 -12.964 -1.430 260 HA PHE 37 HA PHE 37 2.064 -14.323 -0.068 261 HB2 PHE 37 1HB PHE 37 4.860 -15.421 -0.225 262 HB3 PHE 37 2HB PHE 37 3.331 -16.280 -0.377 263 HD1 PHE 37 1HD PHE 37 1.846 -14.924 -2.368 264 HD2 PHE 37 2HD PHE 37 6.052 -15.551 -2.175 265 HE1 PHE 37 1HE PHE 37 1.984 -14.735 -4.818 266 HE2 PHE 37 2HE PHE 37 6.196 -15.362 -4.624 267 HZ PHE 37 HZ PHE 37 4.161 -14.953 -5.948 268 H ARG 38 H ARG 38 2.269 -15.725 1.873 269 HA ARG 38 HA ARG 38 2.856 -14.182 4.154 270 HB2 ARG 38 1HB ARG 38 1.285 -16.279 3.782 271 HB3 ARG 38 2HB ARG 38 2.703 -17.157 4.340 272 HG2 ARG 38 1HG ARG 38 2.713 -15.775 6.384 273 HG3 ARG 38 2HG ARG 38 1.231 -14.993 5.828 274 HD2 ARG 38 1HD ARG 38 -0.026 -16.948 6.059 275 HD3 ARG 38 2HD ARG 38 1.408 -17.974 6.089 276 HE ARG 38 HE ARG 38 1.021 -16.102 8.296 277 HH11 ARG 38 1HH1 ARG 38 0.921 -19.369 7.098 278 HH12 ARG 38 2HH1 ARG 38 0.900 -20.085 8.675 279 HH21 ARG 38 1HH2 ARG 38 0.994 -17.033 10.378 280 HH22 ARG 38 2HH2 ARG 38 0.940 -18.756 10.540 281 H GLU 39 H GLU 39 4.575 -14.117 5.516 282 HA GLU 39 HA GLU 39 6.720 -14.324 6.245 283 HB2 GLU 39 1HB GLU 39 6.319 -17.097 5.124 284 HB3 GLU 39 2HB GLU 39 7.777 -16.611 5.979 285 HG2 GLU 39 1HG GLU 39 4.981 -16.643 7.091 286 HG3 GLU 39 2HG GLU 39 6.275 -17.781 7.463 287 H ALA 40 H ALA 40 6.174 -13.282 3.579 288 HA ALA 40 HA ALA 40 8.726 -13.937 2.257 289 HB1 ALA 40 1HB ALA 40 6.370 -14.334 1.121 290 HB2 ALA 40 2HB ALA 40 6.543 -12.622 0.733 291 HB3 ALA 40 3HB ALA 40 7.765 -13.775 0.196 292 H THR 41 H THR 41 9.962 -12.238 1.397 293 HA THR 41 HA THR 41 9.604 -9.713 2.800 294 HB THR 41 HB THR 41 11.889 -10.675 1.067 295 HG1 THR 41 1HG THR 41 12.854 -10.602 3.336 296 HG21 THR 41 1HG2 THR 41 11.229 -8.060 1.965 297 HG22 THR 41 2HG2 THR 41 12.680 -8.594 1.116 298 HG23 THR 41 3HG2 THR 41 12.632 -8.611 2.879 299 H THR 42 H THR 42 8.109 -8.474 1.795 300 HA THR 42 HA THR 42 8.537 -7.906 -1.067 301 HB THR 42 HB THR 42 6.387 -9.080 -0.583 302 HG1 THR 42 1HG THR 42 6.806 -7.234 -2.228 303 HG21 THR 42 1HG2 THR 42 5.685 -8.329 1.512 304 HG22 THR 42 2HG2 THR 42 4.596 -7.497 0.401 305 HG23 THR 42 3HG2 THR 42 5.965 -6.636 1.105 306 H ASP 43 H ASP 43 8.416 -5.776 -1.759 307 HA ASP 43 HA ASP 43 7.877 -3.671 0.168 308 HB2 ASP 43 1HB ASP 43 10.020 -2.567 -0.110 309 HB3 ASP 43 2HB ASP 43 10.280 -4.203 0.490 310 H PHE 44 H PHE 44 7.740 -1.550 -0.821 311 HA PHE 44 HA PHE 44 7.341 -1.661 -3.737 312 HB2 PHE 44 1HB PHE 44 5.443 -0.076 -3.433 313 HB3 PHE 44 2HB PHE 44 5.159 -1.647 -2.691 314 HD1 PHE 44 2HD PHE 44 5.319 -1.894 -0.231 315 HD2 PHE 44 1HD PHE 44 5.516 1.904 -2.143 316 HE1 PHE 44 2HE PHE 44 4.832 -0.792 1.914 317 HE2 PHE 44 1HE PHE 44 5.031 3.012 -0.001 318 HZ PHE 44 HZ PHE 44 4.687 1.663 2.031 319 H THR 45 H THR 45 7.095 0.707 -4.594 320 HA THR 45 HA THR 45 9.139 2.392 -3.306 321 HB THR 45 HB THR 45 8.801 2.099 -6.294 322 HG1 THR 45 1HG THR 45 10.791 0.908 -6.131 323 HG21 THR 45 1HG2 THR 45 9.730 4.253 -5.407 324 HG22 THR 45 2HG2 THR 45 10.830 3.362 -6.460 325 HG23 THR 45 3HG2 THR 45 11.058 3.324 -4.712 326 H VAL 46 H VAL 46 8.656 4.504 -3.091 327 HA VAL 46 HA VAL 46 6.084 5.409 -4.196 328 HB VAL 46 HB VAL 46 7.640 6.492 -1.842 329 HG11 VAL 46 1HG1 VAL 46 5.728 7.918 -1.433 330 HG12 VAL 46 2HG1 VAL 46 6.357 8.216 -3.055 331 HG13 VAL 46 3HG1 VAL 46 4.896 7.252 -2.838 332 HG21 VAL 46 1HG2 VAL 46 5.889 5.549 -0.469 333 HG22 VAL 46 2HG2 VAL 46 5.038 4.965 -1.899 334 HG23 VAL 46 3HG2 VAL 46 6.603 4.279 -1.463 335 H ASP 47 H ASP 47 6.272 6.619 -5.957 336 HA ASP 47 HA ASP 47 8.705 8.033 -6.575 337 HB2 ASP 47 1HB ASP 47 6.148 7.445 -7.975 338 HB3 ASP 47 2HB ASP 47 7.043 8.869 -8.500 339 H SER 48 H SER 48 9.155 10.096 -6.161 340 HA SER 48 HA SER 48 6.947 11.934 -5.540 341 HB2 SER 48 1HB SER 48 8.437 12.933 -3.753 342 HB3 SER 48 2HB SER 48 7.801 11.330 -3.388 343 HG SER 48 HG SER 48 10.112 11.064 -4.694 344 H ARG 49 H ARG 49 7.173 13.991 -6.291 345 HA ARG 49 HA ARG 49 9.724 14.729 -7.543 346 HB2 ARG 49 1HB ARG 49 7.097 14.388 -8.843 347 HB3 ARG 49 2HB ARG 49 7.948 15.871 -9.253 348 HG2 ARG 49 1HG ARG 49 9.004 13.068 -9.561 349 HG3 ARG 49 2HG ARG 49 8.447 14.130 -10.856 350 HD2 ARG 49 1HD ARG 49 10.241 15.764 -9.947 351 HD3 ARG 49 2HD ARG 49 10.912 14.331 -9.169 352 HE ARG 49 HE ARG 49 10.419 13.911 -11.947 353 HH11 ARG 49 1HH1 ARG 49 12.648 15.326 -9.678 354 HH12 ARG 49 2HH1 ARG 49 14.014 15.189 -10.735 355 HH21 ARG 49 1HH2 ARG 49 12.210 13.726 -13.348 356 HH22 ARG 49 2HH2 ARG 49 13.763 14.280 -12.822 357 HA PRO 50 HA PRO 50 7.403 18.848 -6.762 358 HB2 PRO 50 1HB PRO 50 4.779 18.752 -6.069 359 HB3 PRO 50 2HB PRO 50 5.329 18.789 -7.749 360 HG2 PRO 50 1HG PRO 50 4.461 16.453 -6.091 361 HG3 PRO 50 2HG PRO 50 4.069 16.835 -7.777 362 HD2 PRO 50 1HD PRO 50 5.965 15.025 -7.097 363 HD3 PRO 50 2HD PRO 50 6.079 16.023 -8.560 364 H LEU 51 H LEU 51 7.631 16.241 -4.798 365 HA LEU 51 HA LEU 51 7.006 17.777 -2.365 366 HB2 LEU 51 1HB LEU 51 7.421 14.814 -2.410 367 HB3 LEU 51 2HB LEU 51 6.552 15.795 -1.231 368 HG LEU 51 HG LEU 51 5.635 14.986 -3.984 369 HD11 LEU 51 1HD1 LEU 51 5.429 13.358 -2.097 370 HD12 LEU 51 2HD1 LEU 51 3.900 13.824 -2.840 371 HD13 LEU 51 3HD1 LEU 51 4.374 14.519 -1.291 372 HD21 LEU 51 1HD2 LEU 51 3.935 16.590 -2.141 373 HD22 LEU 51 2HD2 LEU 51 3.881 16.455 -3.899 374 HD23 LEU 51 3HD2 LEU 51 5.138 17.423 -3.126 375 H THR 52 H THR 52 9.322 15.444 -3.719 376 HA THR 52 HA THR 52 11.489 16.837 -2.366 377 HB THR 52 HB THR 52 10.565 14.906 -0.887 378 HG1 THR 52 1HG THR 52 13.344 14.868 -1.494 379 HG21 THR 52 1HG2 THR 52 10.671 13.342 -2.953 380 HG22 THR 52 2HG2 THR 52 11.193 12.721 -1.387 381 HG23 THR 52 3HG2 THR 52 12.390 13.232 -2.576 382 H GLN 53 H GLN 53 13.567 16.359 -3.224 383 HA GLN 53 HA GLN 53 13.497 14.940 -5.805 384 HB2 GLN 53 1HB GLN 53 15.051 17.426 -5.070 385 HB3 GLN 53 2HB GLN 53 15.238 16.542 -6.579 386 HG2 GLN 53 1HG GLN 53 12.634 17.740 -5.675 387 HG3 GLN 53 2HG GLN 53 13.800 18.588 -6.690 388 HE21 GLN 53 1HE2 GLN 53 11.122 16.622 -6.670 389 HE22 GLN 53 2HE2 GLN 53 11.174 16.073 -8.307 390 H VAL 54 H VAL 54 15.427 15.805 -2.982 391 HA VAL 54 HA VAL 54 17.233 13.562 -3.620 392 HB VAL 54 HB VAL 54 19.015 14.710 -2.426 393 HG11 VAL 54 1HG1 VAL 54 18.691 16.963 -4.012 394 HG12 VAL 54 2HG1 VAL 54 19.471 15.450 -4.478 395 HG13 VAL 54 3HG1 VAL 54 17.764 15.712 -4.838 396 HG21 VAL 54 1HG2 VAL 54 17.778 17.328 -2.265 397 HG22 VAL 54 2HG2 VAL 54 16.964 16.146 -1.239 398 HG23 VAL 54 3HG2 VAL 54 18.694 16.436 -1.050 399 H GLY 55 H GLY 55 14.815 13.216 -2.215 400 HA2 GLY 55 1HA GLY 55 14.343 11.771 -0.421 401 HA3 GLY 55 2HA GLY 55 15.888 12.197 0.300 402 H GLY 56 H GLY 56 13.352 12.073 1.639 403 HA2 GLY 56 1HA GLY 56 13.262 14.849 2.600 404 HA3 GLY 56 2HA GLY 56 11.758 14.052 2.163 405 H ASP 57 H ASP 57 12.340 11.480 3.161 406 HA ASP 57 HA ASP 57 12.290 10.234 5.068 407 HB2 ASP 57 1HB ASP 57 13.467 12.573 6.562 408 HB3 ASP 57 2HB ASP 57 13.610 10.857 6.934 409 H HIS 58 H HIS 58 9.996 11.539 4.327 410 HA HIS 58 HA HIS 58 8.776 12.102 6.941 411 HB2 HIS 58 1HB HIS 58 8.715 13.768 4.476 412 HB3 HIS 58 2HB HIS 58 7.227 13.652 5.411 413 HD1 HIS 58 1HD HIS 58 7.048 15.698 6.778 414 HD2 HIS 58 2HD HIS 58 10.943 14.257 6.667 415 HE1 HIS 58 1HE HIS 58 8.370 17.214 8.288 416 H ILE 59 H ILE 59 8.881 9.662 5.385 417 HA ILE 59 HA ILE 59 6.091 9.387 4.503 418 HB ILE 59 HB ILE 59 8.497 7.641 3.984 419 HG12 ILE 59 1HG1 ILE 59 8.194 9.812 2.695 420 HG13 ILE 59 2HG1 ILE 59 8.326 8.350 1.723 421 HG21 ILE 59 1HG2 ILE 59 7.074 6.192 2.701 422 HG22 ILE 59 2HG2 ILE 59 6.423 6.324 4.334 423 HG23 ILE 59 3HG2 ILE 59 5.676 7.220 3.012 424 HD11 ILE 59 1HD1 ILE 59 6.590 9.915 0.936 425 HD12 ILE 59 2HD1 ILE 59 5.955 8.324 1.356 426 HD13 ILE 59 3HD1 ILE 59 5.731 9.682 2.459 427 H LYS 60 H LYS 60 4.789 7.709 5.277 428 HA LYS 60 HA LYS 60 5.782 6.038 7.440 429 HB2 LYS 60 1HB LYS 60 5.105 7.961 8.696 430 HB3 LYS 60 2HB LYS 60 3.596 8.089 7.801 431 HG2 LYS 60 1HG LYS 60 3.169 7.195 9.992 432 HG3 LYS 60 2HG LYS 60 2.864 5.950 8.778 433 HD2 LYS 60 1HD LYS 60 4.076 4.744 10.304 434 HD3 LYS 60 2HD LYS 60 5.378 5.332 9.266 435 HE2 LYS 60 1HE LYS 60 5.871 7.111 10.809 436 HE3 LYS 60 2HE LYS 60 4.471 6.697 11.797 437 HZ1 LYS 60 1HZ LYS 60 5.905 4.379 11.647 438 HZ2 LYS 60 2HZ LYS 60 5.861 5.439 12.963 439 HZ3 LYS 60 3HZ LYS 60 7.095 5.570 11.813 440 H ALA 61 H ALA 61 4.705 4.126 7.622 441 HA ALA 61 HA ALA 61 2.196 3.788 6.142 442 HB1 ALA 61 1HB ALA 61 2.928 1.983 4.875 443 HB2 ALA 61 2HB ALA 61 4.287 3.105 4.797 444 HB3 ALA 61 3HB ALA 61 4.348 1.720 5.888 445 H HIS 62 H HIS 62 0.974 1.910 6.770 446 HA HIS 62 HA HIS 62 1.830 0.445 9.121 447 HB2 HIS 62 1HB HIS 62 0.726 2.643 9.866 448 HB3 HIS 62 2HB HIS 62 -0.778 1.944 9.275 449 HD1 HIS 62 1HD HIS 62 1.259 2.160 12.233 450 HD2 HIS 62 2HD HIS 62 -1.349 -0.647 10.626 451 HE1 HIS 62 1HE HIS 62 0.634 0.651 14.145 452 H ILE 63 H ILE 63 1.451 -1.576 8.502 453 HA ILE 63 HA ILE 63 -0.683 -2.223 6.670 454 HB ILE 63 HB ILE 63 1.235 -4.061 8.106 455 HG12 ILE 63 1HG1 ILE 63 1.435 -3.399 5.201 456 HG13 ILE 63 2HG1 ILE 63 2.028 -2.222 6.368 457 HG21 ILE 63 1HG2 ILE 63 0.467 -5.807 6.817 458 HG22 ILE 63 2HG2 ILE 63 -1.023 -4.917 7.121 459 HG23 ILE 63 3HG2 ILE 63 -0.192 -4.742 5.576 460 HD11 ILE 63 1HD1 ILE 63 3.474 -3.986 7.330 461 HD12 ILE 63 2HD1 ILE 63 2.949 -5.064 6.036 462 HD13 ILE 63 3HD1 ILE 63 3.846 -3.595 5.651 463 H ALA 64 H ALA 64 -2.533 -3.355 7.095 464 HA ALA 64 HA ALA 64 -3.081 -4.018 9.912 465 HB1 ALA 64 1HB ALA 64 -4.178 -1.874 9.004 466 HB2 ALA 64 2HB ALA 64 -5.222 -2.969 8.097 467 HB3 ALA 64 3HB ALA 64 -5.191 -3.038 9.859 468 H ASN 65 H ASN 65 -2.961 -6.199 9.826 469 HA ASN 65 HA ASN 65 -3.737 -7.808 7.663 470 HB2 ASN 65 1HB ASN 65 -3.329 -8.384 10.593 471 HB3 ASN 65 2HB ASN 65 -3.807 -9.644 9.459 472 HD21 ASN 65 1HD2 ASN 65 -1.446 -9.714 10.926 473 HD22 ASN 65 2HD2 ASN 65 -0.112 -9.588 9.835 474 HA PRO 66 HA PRO 66 -8.109 -8.095 7.929 475 HB2 PRO 66 1HB PRO 66 -8.522 -10.667 7.163 476 HB3 PRO 66 2HB PRO 66 -8.022 -9.398 6.039 477 HG2 PRO 66 1HG PRO 66 -6.363 -11.487 7.397 478 HG3 PRO 66 2HG PRO 66 -6.301 -10.928 5.715 479 HD2 PRO 66 1HD PRO 66 -4.543 -10.088 7.596 480 HD3 PRO 66 2HD PRO 66 -5.070 -9.054 6.252 481 H SER 67 H SER 67 -6.106 -9.672 10.071 482 HA SER 67 HA SER 67 -8.325 -10.947 11.514 483 HB2 SER 67 1HB SER 67 -5.332 -11.298 11.671 484 HB3 SER 67 2HB SER 67 -6.422 -11.951 12.894 485 HG SER 67 HG SER 67 -7.527 -12.949 11.003 486 H GLY 68 H GLY 68 -6.138 -8.292 11.595 487 HA2 GLY 68 1HA GLY 68 -7.012 -6.476 13.105 488 HA3 GLY 68 2HA GLY 68 -6.958 -7.694 14.370 489 H ALA 69 H ALA 69 -4.419 -8.776 13.165 490 HA ALA 69 HA ALA 69 -2.616 -7.296 14.778 491 HB1 ALA 69 1HB ALA 69 -0.880 -8.759 13.695 492 HB2 ALA 69 2HB ALA 69 -2.200 -9.614 14.493 493 HB3 ALA 69 3HB ALA 69 -2.182 -9.464 12.736 494 H SER 70 H SER 70 -0.365 -6.739 13.678 495 HA SER 70 HA SER 70 -0.793 -5.260 11.188 496 HB2 SER 70 1HB SER 70 0.170 -3.224 12.087 497 HB3 SER 70 2HB SER 70 -1.201 -3.697 13.089 498 HG SER 70 HG SER 70 1.498 -3.610 13.694 499 H THR 71 H THR 71 0.866 -5.445 9.821 500 HA THR 71 HA THR 71 3.210 -6.926 10.668 501 HB THR 71 HB THR 71 2.470 -5.880 7.927 502 HG1 THR 71 1HG THR 71 1.872 -8.222 9.341 503 HG21 THR 71 1HG2 THR 71 4.572 -6.404 7.382 504 HG22 THR 71 2HG2 THR 71 4.153 -8.089 7.695 505 HG23 THR 71 3HG2 THR 71 4.875 -7.108 8.970 506 H GLU 72 H GLU 72 5.184 -6.110 11.025 507 HA GLU 72 HA GLU 72 5.578 -3.336 11.313 508 HB2 GLU 72 1HB GLU 72 6.834 -5.428 12.340 509 HB3 GLU 72 2HB GLU 72 7.912 -5.166 10.976 510 HG2 GLU 72 1HG GLU 72 8.360 -2.912 11.713 511 HG3 GLU 72 2HG GLU 72 7.201 -3.085 13.030 512 H CYS 73 H CYS 73 6.317 -1.807 9.968 513 HA CYS 73 HA CYS 73 7.178 -2.659 7.284 514 HB2 CYS 73 1HB CYS 73 6.342 -0.465 6.492 515 HB3 CYS 73 2HB CYS 73 5.074 -1.452 7.207 516 HG CYS 73 HG CYS 73 5.556 0.008 9.760 517 H PHE 74 H PHE 74 8.987 -1.752 6.369 518 HA PHE 74 HA PHE 74 10.570 0.027 8.103 519 HB2 PHE 74 1HB PHE 74 11.880 -1.905 6.224 520 HB3 PHE 74 2HB PHE 74 12.523 -1.169 7.688 521 HD1 PHE 74 2HD PHE 74 10.593 -1.769 9.720 522 HD2 PHE 74 1HD PHE 74 11.907 -4.187 6.472 523 HE1 PHE 74 2HE PHE 74 10.009 -3.792 10.993 524 HE2 PHE 74 1HE PHE 74 11.324 -6.213 7.740 525 HZ PHE 74 HZ PHE 74 10.375 -6.017 10.004 526 H VAL 75 H VAL 75 10.623 1.968 7.186 527 HA VAL 75 HA VAL 75 10.393 2.291 4.321 528 HB VAL 75 HB VAL 75 10.783 4.367 6.482 529 HG11 VAL 75 1HG1 VAL 75 11.043 5.870 4.870 530 HG12 VAL 75 2HG1 VAL 75 11.030 4.574 3.673 531 HG13 VAL 75 3HG1 VAL 75 9.523 5.369 4.130 532 HG21 VAL 75 1HG2 VAL 75 8.399 4.791 6.241 533 HG22 VAL 75 2HG2 VAL 75 8.277 3.512 5.032 534 HG23 VAL 75 3HG2 VAL 75 8.684 3.113 6.701 535 H THR 76 H THR 76 11.952 3.008 2.928 536 HA THR 76 HA THR 76 14.649 3.454 4.012 537 HB THR 76 HB THR 76 14.002 1.718 1.620 538 HG1 THR 76 1HG THR 76 15.147 0.159 3.076 539 HG21 THR 76 1HG2 THR 76 16.096 3.126 1.466 540 HG22 THR 76 2HG2 THR 76 16.341 1.383 1.355 541 HG23 THR 76 3HG2 THR 76 16.701 2.231 2.858 542 H ASP 77 H ASP 77 14.914 5.566 3.581 543 HA ASP 77 HA ASP 77 13.919 6.762 1.152 544 HB2 ASP 77 1HB ASP 77 15.803 8.068 3.107 545 HB3 ASP 77 2HB ASP 77 14.617 8.832 2.052 546 H ASN 78 H ASN 78 14.945 6.240 -0.679 547 HA ASN 78 HA ASN 78 17.714 5.600 -0.816 548 HB2 ASN 78 1HB ASN 78 15.802 6.310 -3.053 549 HB3 ASN 78 2HB ASN 78 17.370 5.532 -3.243 550 HD21 ASN 78 1HD2 ASN 78 14.074 5.077 -2.767 551 HD22 ASN 78 2HD2 ASN 78 14.098 3.380 -2.443 552 H ALA 79 H ALA 79 16.208 8.507 -0.406 553 HA ALA 79 HA ALA 79 16.787 10.695 -0.699 554 HB1 ALA 79 1HB ALA 79 19.638 10.322 -0.981 555 HB2 ALA 79 2HB ALA 79 18.722 11.055 0.337 556 HB3 ALA 79 3HB ALA 79 18.979 9.311 0.305 557 H ASP 80 H ASP 80 16.396 8.997 -3.124 558 HA ASP 80 HA ASP 80 17.938 10.630 -5.033 559 HB2 ASP 80 1HB ASP 80 18.256 8.046 -4.951 560 HB3 ASP 80 2HB ASP 80 16.696 7.997 -5.767 561 H GLY 81 H GLY 81 15.144 10.785 -3.640 562 HA2 GLY 81 1HA GLY 81 13.401 12.195 -4.444 563 HA3 GLY 81 2HA GLY 81 13.768 11.667 -6.079 564 H THR 82 H THR 82 13.638 9.216 -3.687 565 HA THR 82 HA THR 82 10.823 8.655 -4.034 566 HB THR 82 HB THR 82 11.372 6.282 -4.850 567 HG1 THR 82 1HG THR 82 13.339 5.917 -5.624 568 HG21 THR 82 1HG2 THR 82 12.020 8.063 -7.094 569 HG22 THR 82 2HG2 THR 82 10.595 8.536 -6.168 570 HG23 THR 82 3HG2 THR 82 10.683 6.931 -6.894 571 H TYR 83 H TYR 83 10.328 6.423 -2.988 572 HA TYR 83 HA TYR 83 12.103 5.984 -0.685 573 HB2 TYR 83 1HB TYR 83 9.088 6.059 -0.502 574 HB3 TYR 83 2HB TYR 83 10.230 5.886 0.826 575 HD1 TYR 83 2HD TYR 83 11.561 7.816 1.576 576 HD2 TYR 83 1HD TYR 83 8.599 8.210 -1.453 577 HE1 TYR 83 2HE TYR 83 11.586 10.257 1.878 578 HE2 TYR 83 1HE TYR 83 8.617 10.652 -1.161 579 HH TYR 83 HH TYR 83 9.317 12.242 1.000 580 H GLN 84 H GLN 84 11.672 3.904 0.428 581 HA GLN 84 HA GLN 84 10.353 1.877 -1.200 582 HB2 GLN 84 1HB GLN 84 12.749 2.016 -1.939 583 HB3 GLN 84 2HB GLN 84 13.221 1.548 -0.311 584 HG2 GLN 84 1HG GLN 84 13.263 -0.488 -1.296 585 HG3 GLN 84 2HG GLN 84 11.571 -0.458 -0.801 586 HE21 GLN 84 1HE2 GLN 84 10.505 -1.509 -2.331 587 HE22 GLN 84 2HE2 GLN 84 10.604 -1.194 -4.026 588 H VAL 85 H VAL 85 8.971 1.021 0.207 589 HA VAL 85 HA VAL 85 9.854 0.577 2.977 590 HB VAL 85 HB VAL 85 7.043 0.611 1.870 591 HG11 VAL 85 1HG1 VAL 85 6.277 -0.033 3.878 592 HG12 VAL 85 2HG1 VAL 85 7.909 -0.661 4.118 593 HG13 VAL 85 3HG1 VAL 85 7.472 0.926 4.751 594 HG21 VAL 85 1HG2 VAL 85 6.968 2.715 3.372 595 HG22 VAL 85 2HG2 VAL 85 8.725 2.691 3.219 596 HG23 VAL 85 3HG2 VAL 85 7.716 2.833 1.779 597 H GLU 86 H GLU 86 10.204 -1.425 3.679 598 HA GLU 86 HA GLU 86 9.140 -3.665 2.086 599 HB2 GLU 86 1HB GLU 86 11.591 -3.439 1.914 600 HB3 GLU 86 2HB GLU 86 11.718 -3.571 3.662 601 HG2 GLU 86 1HG GLU 86 10.568 -5.830 3.406 602 HG3 GLU 86 2HG GLU 86 10.916 -5.675 1.685 603 H TYR 87 H TYR 87 8.081 -5.272 3.123 604 HA TYR 87 HA TYR 87 8.204 -5.476 6.022 605 HB2 TYR 87 1HB TYR 87 5.850 -5.215 6.382 606 HB3 TYR 87 2HB TYR 87 6.403 -3.806 5.484 607 HD1 TYR 87 2HD TYR 87 4.448 -6.910 5.305 608 HD2 TYR 87 1HD TYR 87 5.674 -3.411 3.218 609 HE1 TYR 87 2HE TYR 87 2.732 -7.336 3.596 610 HE2 TYR 87 1HE TYR 87 3.961 -3.826 1.503 611 HH TYR 87 HH TYR 87 2.305 -5.139 0.834 612 H THR 88 H THR 88 7.307 -7.440 6.842 613 HA THR 88 HA THR 88 6.926 -9.510 4.776 614 HB THR 88 HB THR 88 8.047 -10.105 7.503 615 HG1 THR 88 1HG THR 88 9.749 -9.819 5.287 616 HG21 THR 88 1HG2 THR 88 8.679 -11.548 4.961 617 HG22 THR 88 2HG2 THR 88 7.138 -11.837 5.768 618 HG23 THR 88 3HG2 THR 88 8.651 -12.153 6.616 619 HA PRO 89 HA PRO 89 2.981 -9.618 6.996 620 HB2 PRO 89 1HB PRO 89 1.674 -10.962 5.032 621 HB3 PRO 89 2HB PRO 89 1.946 -9.216 4.984 622 HG2 PRO 89 1HG PRO 89 3.460 -11.407 3.618 623 HG3 PRO 89 2HG PRO 89 2.942 -9.837 2.977 624 HD2 PRO 89 1HD PRO 89 5.474 -10.305 3.816 625 HD3 PRO 89 2HD PRO 89 4.698 -8.715 3.961 626 H PHE 90 H PHE 90 2.692 -11.076 8.550 627 HA PHE 90 HA PHE 90 3.589 -13.825 8.141 628 HB2 PHE 90 1HB PHE 90 2.966 -13.933 10.671 629 HB3 PHE 90 2HB PHE 90 4.417 -13.067 10.177 630 HD1 PHE 90 1HD PHE 90 0.924 -12.676 11.279 631 HD2 PHE 90 2HD PHE 90 4.633 -10.733 10.513 632 HE1 PHE 90 1HE PHE 90 0.094 -10.655 12.410 633 HE2 PHE 90 2HE PHE 90 3.809 -8.708 11.643 634 HZ PHE 90 HZ PHE 90 1.537 -8.668 12.594 635 H GLU 91 H GLU 91 1.060 -12.596 7.030 636 HA GLU 91 HA GLU 91 -0.674 -14.815 7.741 637 HB2 GLU 91 1HB GLU 91 -1.259 -11.967 8.396 638 HB3 GLU 91 2HB GLU 91 -2.587 -12.972 7.833 639 HG2 GLU 91 1HG GLU 91 -0.832 -13.932 10.046 640 HG3 GLU 91 2HG GLU 91 -2.103 -12.754 10.372 641 H LYS 92 H LYS 92 -1.735 -15.565 6.013 642 HA LYS 92 HA LYS 92 -1.395 -14.191 3.483 643 HB2 LYS 92 1HB LYS 92 -2.584 -16.297 2.617 644 HB3 LYS 92 2HB LYS 92 -0.978 -16.491 3.308 645 HG2 LYS 92 1HG LYS 92 -1.888 -17.339 5.351 646 HG3 LYS 92 2HG LYS 92 -3.532 -16.967 4.827 647 HD2 LYS 92 1HD LYS 92 -2.831 -18.527 2.797 648 HD3 LYS 92 2HD LYS 92 -1.722 -19.177 4.006 649 HE2 LYS 92 1HE LYS 92 -3.876 -19.215 5.502 650 HE3 LYS 92 2HE LYS 92 -4.705 -19.206 3.946 651 HZ1 LYS 92 1HZ LYS 92 -2.541 -21.112 4.160 652 HZ2 LYS 92 2HZ LYS 92 -4.093 -21.304 3.518 653 HZ3 LYS 92 3HZ LYS 92 -3.849 -21.418 5.188 654 H GLY 93 H GLY 93 -2.773 -12.432 3.529 655 HA2 GLY 93 1HA GLY 93 -5.480 -12.935 2.805 656 HA3 GLY 93 2HA GLY 93 -5.379 -12.327 4.451 657 H LEU 94 H LEU 94 -6.715 -10.596 3.407 658 HA LEU 94 HA LEU 94 -5.138 -8.692 1.842 659 HB2 LEU 94 1HB LEU 94 -7.252 -9.035 0.891 660 HB3 LEU 94 2HB LEU 94 -8.061 -8.967 2.455 661 HG LEU 94 HG LEU 94 -7.473 -6.520 2.532 662 HD11 LEU 94 1HD1 LEU 94 -6.866 -6.935 -0.390 663 HD12 LEU 94 2HD1 LEU 94 -5.653 -6.647 0.857 664 HD13 LEU 94 3HD1 LEU 94 -6.855 -5.408 0.493 665 HD21 LEU 94 1HD2 LEU 94 -9.677 -6.739 2.052 666 HD22 LEU 94 2HD2 LEU 94 -9.388 -7.820 0.688 667 HD23 LEU 94 3HD2 LEU 94 -9.151 -6.082 0.502 668 H HIS 95 H HIS 95 -4.055 -7.164 2.877 669 HA HIS 95 HA HIS 95 -5.001 -6.292 5.520 670 HB2 HIS 95 1HB HIS 95 -2.301 -5.524 4.540 671 HB3 HIS 95 2HB HIS 95 -2.826 -5.963 6.162 672 HD2 HIS 95 2HD HIS 95 -0.412 -7.360 3.930 673 HE1 HIS 95 1HE HIS 95 -2.496 -10.814 5.241 674 HE2 HIS 95 2HE HIS 95 -0.381 -9.932 4.198 675 H VAL 96 H VAL 96 -4.781 -4.010 6.060 676 HA VAL 96 HA VAL 96 -5.285 -2.306 3.713 677 HB VAL 96 HB VAL 96 -6.179 -1.933 6.575 678 HG11 VAL 96 1HG1 VAL 96 -5.653 0.069 4.820 679 HG12 VAL 96 2HG1 VAL 96 -7.349 -0.263 4.462 680 HG13 VAL 96 3HG1 VAL 96 -6.858 0.157 6.104 681 HG21 VAL 96 1HG2 VAL 96 -8.454 -2.186 5.544 682 HG22 VAL 96 2HG2 VAL 96 -7.652 -2.714 4.065 683 HG23 VAL 96 3HG2 VAL 96 -7.472 -3.651 5.548 684 H VAL 97 H VAL 97 -3.479 -1.255 3.172 685 HA VAL 97 HA VAL 97 -1.643 -0.338 5.250 686 HB VAL 97 HB VAL 97 -1.357 -0.244 2.243 687 HG11 VAL 97 1HG1 VAL 97 0.601 0.825 2.482 688 HG12 VAL 97 2HG1 VAL 97 -0.041 1.308 4.053 689 HG13 VAL 97 3HG1 VAL 97 1.034 -0.085 3.929 690 HG21 VAL 97 1HG2 VAL 97 0.146 -2.119 2.484 691 HG22 VAL 97 2HG2 VAL 97 -0.063 -2.104 4.235 692 HG23 VAL 97 3HG2 VAL 97 -1.418 -2.530 3.190 693 H GLU 98 H GLU 98 -1.790 1.648 6.039 694 HA GLU 98 HA GLU 98 -3.200 3.695 4.476 695 HB2 GLU 98 1HB GLU 98 -2.777 3.242 7.400 696 HB3 GLU 98 2HB GLU 98 -3.036 4.883 6.827 697 HG2 GLU 98 1HG GLU 98 -5.185 4.398 6.048 698 HG3 GLU 98 2HG GLU 98 -4.908 2.658 6.107 699 H VAL 99 H VAL 99 -1.928 4.999 3.348 700 HA VAL 99 HA VAL 99 0.759 5.614 4.362 701 HB VAL 99 HB VAL 99 -0.345 6.112 1.596 702 HG11 VAL 99 1HG1 VAL 99 1.702 6.894 0.986 703 HG12 VAL 99 2HG1 VAL 99 1.726 7.377 2.683 704 HG13 VAL 99 3HG1 VAL 99 2.556 5.908 2.171 705 HG21 VAL 99 1HG2 VAL 99 0.312 3.661 2.764 706 HG22 VAL 99 2HG2 VAL 99 0.083 3.998 1.048 707 HG23 VAL 99 3HG2 VAL 99 1.696 4.086 1.756 708 H THR 100 H THR 100 1.438 7.687 4.716 709 HA THR 100 HA THR 100 -0.340 9.911 4.089 710 HB THR 100 HB THR 100 -0.097 10.796 6.445 711 HG1 THR 100 1HG THR 100 1.588 9.173 6.964 712 HG21 THR 100 1HG2 THR 100 -2.102 9.882 7.069 713 HG22 THR 100 2HG2 THR 100 -1.623 8.246 6.614 714 HG23 THR 100 3HG2 THR 100 -2.082 9.409 5.370 715 H TYR 101 H TYR 101 0.858 11.463 3.226 716 HA TYR 101 HA TYR 101 3.716 11.581 3.884 717 HB2 TYR 101 1HB TYR 101 3.161 11.310 1.505 718 HB3 TYR 101 2HB TYR 101 2.210 12.790 1.554 719 HD1 TYR 101 1HD TYR 101 3.583 14.892 2.494 720 HD2 TYR 101 2HD TYR 101 5.299 11.458 0.661 721 HE1 TYR 101 1HE TYR 101 5.586 16.203 1.928 722 HE2 TYR 101 2HE TYR 101 7.307 12.758 0.090 723 HH TYR 101 HH TYR 101 8.029 15.716 1.446 724 H ASP 102 H ASP 102 4.345 13.076 5.276 725 HA ASP 102 HA ASP 102 4.421 14.963 6.546 726 HB2 ASP 102 1HB ASP 102 4.702 15.844 4.127 727 HB3 ASP 102 2HB ASP 102 3.050 16.428 4.306 728 H ASP 103 H ASP 103 2.320 13.375 7.202 729 HA ASP 103 HA ASP 103 0.372 13.368 8.376 730 HB2 ASP 103 1HB ASP 103 0.912 16.341 8.422 731 HB3 ASP 103 2HB ASP 103 -0.410 15.581 9.304 732 H VAL 104 H VAL 104 0.298 13.409 5.511 733 HA VAL 104 HA VAL 104 -2.460 14.295 5.167 734 HB VAL 104 HB VAL 104 -0.248 15.117 3.280 735 HG11 VAL 104 1HG1 VAL 104 -2.893 16.235 2.820 736 HG12 VAL 104 2HG1 VAL 104 -1.761 15.499 1.683 737 HG13 VAL 104 3HG1 VAL 104 -2.850 14.483 2.627 738 HG21 VAL 104 1HG2 VAL 104 -0.927 17.404 3.860 739 HG22 VAL 104 2HG2 VAL 104 -2.084 16.759 5.024 740 HG23 VAL 104 3HG2 VAL 104 -0.355 16.513 5.270 741 HA PRO 105 HA PRO 105 -2.447 10.241 3.321 742 HB2 PRO 105 1HB PRO 105 -5.094 10.203 2.719 743 HB3 PRO 105 2HB PRO 105 -4.477 9.935 4.354 744 HG2 PRO 105 1HG PRO 105 -5.615 12.425 3.142 745 HG3 PRO 105 2HG PRO 105 -5.904 11.729 4.747 746 HD2 PRO 105 1HD PRO 105 -4.206 13.799 4.342 747 HD3 PRO 105 2HD PRO 105 -3.945 12.584 5.609 748 H ILE 106 H ILE 106 -2.738 9.327 1.241 749 HA ILE 106 HA ILE 106 -2.704 11.318 -0.912 750 HB ILE 106 HB ILE 106 -1.898 9.263 -2.266 751 HG12 ILE 106 1HG1 ILE 106 -1.289 8.326 0.546 752 HG13 ILE 106 2HG1 ILE 106 -2.491 7.607 -0.519 753 HG21 ILE 106 1HG2 ILE 106 0.154 9.971 -0.261 754 HG22 ILE 106 2HG2 ILE 106 0.213 10.043 -2.021 755 HG23 ILE 106 3HG2 ILE 106 -0.614 11.309 -1.115 756 HD11 ILE 106 1HD1 ILE 106 -0.587 7.190 -2.137 757 HD12 ILE 106 2HD1 ILE 106 0.492 7.596 -0.802 758 HD13 ILE 106 3HD1 ILE 106 -0.608 6.225 -0.661 759 HA PRO 107 HA PRO 107 -6.537 10.056 -2.637 760 HB2 PRO 107 1HB PRO 107 -6.037 10.245 -5.299 761 HB3 PRO 107 2HB PRO 107 -6.215 11.658 -4.252 762 HG2 PRO 107 1HG PRO 107 -3.718 10.340 -5.247 763 HG3 PRO 107 2HG PRO 107 -4.101 12.067 -5.130 764 HD2 PRO 107 1HD PRO 107 -2.561 10.790 -3.306 765 HD3 PRO 107 2HD PRO 107 -3.618 12.151 -2.878 766 H ASN 108 H ASN 108 -3.897 8.104 -2.704 767 HA ASN 108 HA ASN 108 -5.202 6.033 -4.334 768 HB2 ASN 108 1HB ASN 108 -2.370 5.880 -3.334 769 HB3 ASN 108 2HB ASN 108 -3.097 5.060 -4.712 770 HD21 ASN 108 1HD2 ASN 108 -4.051 6.706 -6.350 771 HD22 ASN 108 2HD2 ASN 108 -2.982 7.990 -6.790 772 H SER 109 H SER 109 -4.381 6.933 -1.141 773 HA SER 109 HA SER 109 -4.632 4.206 -0.123 774 HB2 SER 109 1HB SER 109 -3.746 6.816 1.064 775 HB3 SER 109 2HB SER 109 -4.245 5.495 2.120 776 HG SER 109 HG SER 109 -2.617 4.233 1.291 777 HA PRO 110 HA PRO 110 -4.954 3.643 2.224 778 HB2 PRO 110 1HB PRO 110 -6.604 1.579 2.844 779 HB3 PRO 110 2HB PRO 110 -6.447 3.020 3.855 780 HG2 PRO 110 1HG PRO 110 -8.558 2.337 1.846 781 HG3 PRO 110 2HG PRO 110 -8.738 3.051 3.460 782 HD2 PRO 110 1HD PRO 110 -8.820 4.532 1.194 783 HD3 PRO 110 2HD PRO 110 -8.180 5.163 2.725 784 H PHE 111 H PHE 111 -4.335 1.319 1.799 785 HA PHE 111 HA PHE 111 -4.860 0.670 -1.024 786 HB2 PHE 111 1HB PHE 111 -2.415 0.403 0.691 787 HB3 PHE 111 2HB PHE 111 -2.628 -0.654 -0.701 788 HD1 PHE 111 1HD PHE 111 -3.063 0.473 -2.965 789 HD2 PHE 111 2HD PHE 111 -1.506 2.517 0.428 790 HE1 PHE 111 1HE PHE 111 -2.170 2.231 -4.438 791 HE2 PHE 111 2HE PHE 111 -0.612 4.278 -1.038 792 HZ PHE 111 HZ PHE 111 -0.944 4.138 -3.474 793 H LYS 112 H LYS 112 -4.578 -1.699 -1.541 794 HA LYS 112 HA LYS 112 -5.503 -3.421 0.653 795 HB2 LYS 112 1HB LYS 112 -6.838 -2.883 -1.958 796 HB3 LYS 112 2HB LYS 112 -6.908 -4.520 -1.317 797 HG2 LYS 112 1HG LYS 112 -8.207 -3.913 0.471 798 HG3 LYS 112 2HG LYS 112 -7.634 -2.244 0.461 799 HD2 LYS 112 1HD LYS 112 -9.809 -2.061 -0.343 800 HD3 LYS 112 2HD LYS 112 -8.840 -2.084 -1.818 801 HE2 LYS 112 1HE LYS 112 -9.486 -4.236 -2.362 802 HE3 LYS 112 2HE LYS 112 -9.898 -4.644 -0.697 803 HZ1 LYS 112 1HZ LYS 112 -11.966 -3.863 -0.937 804 HZ2 LYS 112 2HZ LYS 112 -11.685 -4.013 -2.598 805 HZ3 LYS 112 3HZ LYS 112 -11.482 -2.515 -1.838 806 H VAL 113 H VAL 113 -3.907 -4.846 0.894 807 HA VAL 113 HA VAL 113 -2.609 -5.938 -1.512 808 HB VAL 113 HB VAL 113 -1.643 -5.899 1.350 809 HG11 VAL 113 1HG1 VAL 113 0.350 -6.587 -0.607 810 HG12 VAL 113 2HG1 VAL 113 -0.146 -7.462 0.843 811 HG13 VAL 113 3HG1 VAL 113 -1.003 -7.716 -0.678 812 HG21 VAL 113 1HG2 VAL 113 -0.670 -4.438 -1.104 813 HG22 VAL 113 2HG2 VAL 113 -1.514 -3.723 0.270 814 HG23 VAL 113 3HG2 VAL 113 0.099 -4.401 0.483 815 H ALA 114 H ALA 114 -3.881 -7.638 -2.086 816 HA ALA 114 HA ALA 114 -4.814 -9.524 -0.086 817 HB1 ALA 114 1HB ALA 114 -5.785 -10.684 -2.123 818 HB2 ALA 114 2HB ALA 114 -6.402 -9.071 -1.763 819 HB3 ALA 114 3HB ALA 114 -5.222 -9.296 -3.054 820 H VAL 115 H VAL 115 -3.171 -10.738 0.698 821 HA VAL 115 HA VAL 115 -1.025 -11.713 -0.914 822 HB VAL 115 HB VAL 115 -1.889 -12.615 1.838 823 HG11 VAL 115 1HG1 VAL 115 0.322 -13.367 0.054 824 HG12 VAL 115 2HG1 VAL 115 0.787 -13.007 1.718 825 HG13 VAL 115 3HG1 VAL 115 -0.416 -14.255 1.387 826 HG21 VAL 115 1HG2 VAL 115 -1.421 -10.311 2.003 827 HG22 VAL 115 2HG2 VAL 115 0.049 -11.127 2.537 828 HG23 VAL 115 3HG2 VAL 115 -0.035 -10.434 0.918 829 H THR 116 H THR 116 -0.589 -13.847 -1.540 830 HA THR 116 HA THR 116 -2.879 -15.695 -1.484 831 HB THR 116 HB THR 116 -2.806 -14.679 -3.704 832 HG1 THR 116 1HG THR 116 -3.422 -16.824 -3.712 833 HG21 THR 116 1HG2 THR 116 0.061 -15.581 -3.635 834 HG22 THR 116 2HG2 THR 116 -0.583 -13.980 -3.999 835 HG23 THR 116 3HG2 THR 116 -0.786 -15.296 -5.155 836 H GLU 117 H GLU 117 -2.403 -17.851 -1.255 837 HA GLU 117 HA GLU 117 -0.090 -18.595 0.081 838 HB2 GLU 117 1HB GLU 117 -2.077 -20.241 -1.480 839 HB3 GLU 117 2HB GLU 117 -0.769 -20.960 -0.551 840 HG2 GLU 117 1HG GLU 117 -1.656 -19.816 1.468 841 HG3 GLU 117 2HG GLU 117 -3.030 -19.281 0.503 842 H GLY 118 H GLY 118 1.919 -18.457 -0.683 843 HA2 GLY 118 1HA GLY 118 2.407 -19.176 -3.498 844 HA3 GLY 118 2HA GLY 118 3.449 -18.155 -2.518 845 H CYS 119 H CYS 119 5.080 -19.059 -1.373 846 HA CYS 119 HA CYS 119 5.132 -21.918 -0.893 847 HB2 CYS 119 1HB CYS 119 7.166 -20.558 -2.671 848 HB3 CYS 119 2HB CYS 119 7.364 -22.170 -1.994 849 HG CYS 119 HG CYS 119 6.228 -23.369 -3.946 850 H GLN 120 H GLN 120 6.113 -22.356 0.981 851 HA GLN 120 HA GLN 120 7.066 -20.279 2.639 852 HB2 GLN 120 1HB GLN 120 6.024 -22.405 3.439 853 HB3 GLN 120 2HB GLN 120 7.498 -23.249 2.986 854 HG2 GLN 120 1HG GLN 120 8.768 -21.928 4.581 855 HG3 GLN 120 2HG GLN 120 7.312 -21.034 5.014 856 HE21 GLN 120 1HE2 GLN 120 8.766 -22.308 6.933 857 HE22 GLN 120 2HE2 GLN 120 7.883 -23.664 7.539 858 HA PRO 121 HA PRO 121 11.254 -19.978 1.274 859 HB2 PRO 121 1HB PRO 121 12.238 -18.619 3.409 860 HB3 PRO 121 2HB PRO 121 11.225 -17.863 2.173 861 HG2 PRO 121 1HG PRO 121 10.463 -18.884 4.883 862 HG3 PRO 121 2HG PRO 121 9.971 -17.385 4.073 863 HD2 PRO 121 1HD PRO 121 8.384 -19.576 4.172 864 HD3 PRO 121 2HD PRO 121 8.372 -18.450 2.800 865 H SER 122 H SER 122 13.352 -20.753 1.789 866 HA SER 122 HA SER 122 13.462 -22.642 4.045 867 HB2 SER 122 1HB SER 122 13.175 -23.972 2.055 868 HB3 SER 122 2HB SER 122 14.440 -23.076 1.215 869 HG SER 122 HG SER 122 15.522 -24.790 1.922 870 H SER 123 H SER 123 14.949 -21.979 5.434 871 HA SER 123 HA SER 123 16.832 -20.003 5.048 872 HB2 SER 123 1HB SER 123 17.011 -22.348 6.955 873 HB3 SER 123 2HB SER 123 17.938 -20.854 7.081 874 HG SER 123 HG SER 123 15.499 -21.356 8.001 875 H GLY 124 H GLY 124 18.854 -19.879 4.243 876 HA2 GLY 124 1HA GLY 124 19.981 -22.365 3.117 877 HA3 GLY 124 2HA GLY 124 20.217 -20.765 2.429 878 HA PRO 125 HA PRO 125 23.684 -22.043 5.434 879 HB2 PRO 125 1HB PRO 125 25.601 -22.625 3.601 880 HB3 PRO 125 2HB PRO 125 24.487 -23.837 4.244 881 HG2 PRO 125 1HG PRO 125 24.369 -22.340 1.654 882 HG3 PRO 125 2HG PRO 125 24.057 -24.057 1.969 883 HD2 PRO 125 1HD PRO 125 22.066 -22.246 1.673 884 HD3 PRO 125 2HD PRO 125 21.922 -23.658 2.740 885 H SER 126 H SER 126 25.188 -20.568 6.067 886 HA SER 126 HA SER 126 25.798 -18.366 4.208 887 HB2 SER 126 1HB SER 126 25.722 -16.809 6.119 888 HB3 SER 126 2HB SER 126 24.168 -17.604 5.874 889 HG SER 126 HG SER 126 24.540 -18.878 7.628 890 H SER 127 H SER 127 27.862 -18.757 3.670 891 HA SER 127 HA SER 127 29.760 -19.600 5.725 892 HB2 SER 127 1HB SER 127 29.815 -19.543 2.722 893 HB3 SER 127 2HB SER 127 31.317 -19.677 3.637 894 HG SER 127 HG SER 127 29.235 -21.501 3.342 895 H GLY 128 H GLY 128 30.113 -17.744 6.916 896 HA2 GLY 128 1HA GLY 128 32.111 -16.111 6.701 897 HA3 GLY 128 2HA GLY 128 31.094 -15.380 5.467 Start of MODEL 13 1 H1 GLY 1 H GLY 1 20.479 20.943 39.782 2 HA2 GLY 1 1HA GLY 1 21.838 22.146 38.190 3 HA3 GLY 1 2HA GLY 1 22.815 20.697 38.001 4 H SER 2 H SER 2 20.330 22.533 36.702 5 HA SER 2 HA SER 2 20.009 20.812 34.473 6 HB2 SER 2 1HB SER 2 18.580 19.487 35.863 7 HB3 SER 2 2HB SER 2 17.749 20.917 36.477 8 HG SER 2 HG SER 2 17.538 19.668 33.971 9 H SER 3 H SER 3 19.330 21.953 32.747 10 HA SER 3 HA SER 3 17.817 24.419 33.146 11 HB2 SER 3 1HB SER 3 20.382 24.828 33.124 12 HB3 SER 3 2HB SER 3 20.262 24.497 31.396 13 HG SER 3 HG SER 3 18.480 26.156 31.526 14 H GLY 4 H GLY 4 16.479 24.933 31.468 15 HA2 GLY 4 1HA GLY 4 15.662 24.863 29.264 16 HA3 GLY 4 2HA GLY 4 16.792 23.564 28.910 17 H SER 5 H SER 5 15.163 22.330 27.921 18 HA SER 5 HA SER 5 13.334 20.953 27.791 19 HB2 SER 5 1HB SER 5 13.329 19.195 29.561 20 HB3 SER 5 2HB SER 5 14.929 19.484 28.877 21 HG SER 5 HG SER 5 14.951 19.367 31.175 22 H SER 6 H SER 6 12.561 23.475 28.639 23 HA SER 6 HA SER 6 10.237 22.792 30.277 24 HB2 SER 6 1HB SER 6 12.027 25.174 30.818 25 HB3 SER 6 2HB SER 6 10.488 24.852 31.618 26 HG SER 6 HG SER 6 11.387 23.294 32.763 27 H GLY 7 H GLY 7 8.615 23.166 28.906 28 HA2 GLY 7 1HA GLY 7 7.233 25.108 28.140 29 HA3 GLY 7 2HA GLY 7 8.691 25.666 27.331 30 H HIS 8 H HIS 8 6.024 23.453 27.241 31 HA HIS 8 HA HIS 8 6.527 22.991 24.412 32 HB2 HIS 8 1HB HIS 8 6.093 20.689 26.326 33 HB3 HIS 8 2HB HIS 8 6.276 20.573 24.578 34 HD1 HIS 8 1HD HIS 8 8.258 21.375 27.685 35 HD2 HIS 8 2HD HIS 8 8.873 20.487 23.673 36 HE1 HIS 8 1HE HIS 8 10.738 21.029 27.446 37 H PHE 9 H PHE 9 4.668 22.300 23.248 38 HA PHE 9 HA PHE 9 2.149 21.996 24.612 39 HB2 PHE 9 1HB PHE 9 1.168 23.949 23.215 40 HB3 PHE 9 2HB PHE 9 2.036 24.326 24.699 41 HD1 PHE 9 1HD PHE 9 4.428 25.085 24.543 42 HD2 PHE 9 2HD PHE 9 1.877 24.791 21.148 43 HE1 PHE 9 1HE PHE 9 5.934 26.570 23.287 44 HE2 PHE 9 2HE PHE 9 3.380 26.275 19.887 45 HZ PHE 9 HZ PHE 9 5.412 27.166 20.955 46 HA PRO 10 HA PRO 10 1.769 19.512 20.943 47 HB2 PRO 10 1HB PRO 10 -0.694 18.524 21.518 48 HB3 PRO 10 2HB PRO 10 0.781 17.943 22.300 49 HG2 PRO 10 1HG PRO 10 -1.251 19.899 23.304 50 HG3 PRO 10 2HG PRO 10 -0.447 18.577 24.170 51 HD2 PRO 10 1HD PRO 10 0.330 21.160 24.409 52 HD3 PRO 10 2HD PRO 10 1.472 19.805 24.520 53 H ALA 11 H ALA 11 1.320 20.386 19.027 54 HA ALA 11 HA ALA 11 -0.645 22.453 18.708 55 HB1 ALA 11 1HB ALA 11 0.797 21.019 16.493 56 HB2 ALA 11 2HB ALA 11 0.130 22.652 16.487 57 HB3 ALA 11 3HB ALA 11 1.552 22.284 17.463 58 H ARG 12 H ARG 12 -2.605 21.429 19.275 59 HA ARG 12 HA ARG 12 -3.570 19.448 17.319 60 HB2 ARG 12 1HB ARG 12 -3.431 18.992 19.928 61 HB3 ARG 12 2HB ARG 12 -4.959 19.862 19.925 62 HG2 ARG 12 1HG ARG 12 -5.800 18.246 18.229 63 HG3 ARG 12 2HG ARG 12 -4.306 17.330 18.439 64 HD2 ARG 12 1HD ARG 12 -5.724 16.239 19.890 65 HD3 ARG 12 2HD ARG 12 -4.946 17.401 20.964 66 HE ARG 12 HE ARG 12 -7.431 18.284 19.774 67 HH11 ARG 12 1HH1 ARG 12 -5.879 16.752 22.487 68 HH12 ARG 12 2HH1 ARG 12 -7.178 17.084 23.585 69 HH21 ARG 12 1HH2 ARG 12 -9.148 18.727 21.209 70 HH22 ARG 12 2HH2 ARG 12 -9.037 18.207 22.856 71 H VAL 13 H VAL 13 -3.562 22.296 16.891 72 HA VAL 13 HA VAL 13 -6.402 23.001 17.115 73 HB VAL 13 HB VAL 13 -5.730 25.275 16.515 74 HG11 VAL 13 1HG1 VAL 13 -5.060 25.813 18.612 75 HG12 VAL 13 2HG1 VAL 13 -5.426 24.112 18.904 76 HG13 VAL 13 3HG1 VAL 13 -3.761 24.622 18.622 77 HG21 VAL 13 1HG2 VAL 13 -3.607 24.181 15.275 78 HG22 VAL 13 2HG2 VAL 13 -3.688 25.876 15.754 79 HG23 VAL 13 3HG2 VAL 13 -2.846 24.711 16.775 80 H LYS 14 H LYS 14 -7.450 24.005 15.252 81 HA LYS 14 HA LYS 14 -7.642 22.496 13.034 82 HB2 LYS 14 1HB LYS 14 -9.159 24.334 13.436 83 HB3 LYS 14 2HB LYS 14 -7.872 25.506 13.183 84 HG2 LYS 14 1HG LYS 14 -7.696 24.698 10.832 85 HG3 LYS 14 2HG LYS 14 -9.121 23.700 11.126 86 HD2 LYS 14 1HD LYS 14 -10.155 25.542 10.278 87 HD3 LYS 14 2HD LYS 14 -10.090 26.029 11.973 88 HE2 LYS 14 1HE LYS 14 -7.765 26.695 10.250 89 HE3 LYS 14 2HE LYS 14 -9.254 27.608 10.004 90 HZ1 LYS 14 1HZ LYS 14 -7.857 27.305 12.608 91 HZ2 LYS 14 2HZ LYS 14 -9.235 28.241 12.316 92 HZ3 LYS 14 3HZ LYS 14 -7.759 28.666 11.607 93 H VAL 15 H VAL 15 -6.257 21.824 11.547 94 HA VAL 15 HA VAL 15 -4.116 23.656 10.680 95 HB VAL 15 HB VAL 15 -3.201 21.843 12.084 96 HG11 VAL 15 1HG1 VAL 15 -5.073 20.254 10.884 97 HG12 VAL 15 2HG1 VAL 15 -3.586 19.753 10.076 98 HG13 VAL 15 3HG1 VAL 15 -3.705 19.675 11.834 99 HG21 VAL 15 1HG2 VAL 15 -2.394 22.566 9.443 100 HG22 VAL 15 2HG2 VAL 15 -1.392 22.141 10.830 101 HG23 VAL 15 3HG2 VAL 15 -1.963 20.881 9.736 102 H GLU 16 H GLU 16 -3.673 23.746 8.513 103 HA GLU 16 HA GLU 16 -5.509 22.244 6.767 104 HB2 GLU 16 1HB GLU 16 -4.195 24.933 6.342 105 HB3 GLU 16 2HB GLU 16 -5.165 24.097 5.137 106 HG2 GLU 16 1HG GLU 16 -6.238 24.810 7.846 107 HG3 GLU 16 2HG GLU 16 -6.303 25.919 6.477 108 HA PRO 17 HA PRO 17 -2.114 20.233 4.838 109 HB2 PRO 17 1HB PRO 17 -3.118 19.864 2.343 110 HB3 PRO 17 2HB PRO 17 -3.671 18.944 3.747 111 HG2 PRO 17 1HG PRO 17 -4.918 21.328 2.434 112 HG3 PRO 17 2HG PRO 17 -5.691 19.849 3.034 113 HD2 PRO 17 1HD PRO 17 -5.703 22.169 4.430 114 HD3 PRO 17 2HD PRO 17 -5.678 20.579 5.220 115 H ALA 18 H ALA 18 -0.249 21.041 4.129 116 HA ALA 18 HA ALA 18 -0.308 23.391 2.359 117 HB1 ALA 18 1HB ALA 18 0.778 23.637 4.596 118 HB2 ALA 18 2HB ALA 18 1.990 22.468 4.072 119 HB3 ALA 18 3HB ALA 18 1.828 24.007 3.228 120 H VAL 19 H VAL 19 -0.395 20.400 1.727 121 HA VAL 19 HA VAL 19 1.683 20.504 -0.339 122 HB VAL 19 HB VAL 19 2.471 19.090 1.588 123 HG11 VAL 19 1HG1 VAL 19 0.353 17.159 0.661 124 HG12 VAL 19 2HG1 VAL 19 1.476 16.964 2.008 125 HG13 VAL 19 3HG1 VAL 19 0.194 18.172 2.095 126 HG21 VAL 19 1HG2 VAL 19 3.135 18.847 -0.868 127 HG22 VAL 19 2HG2 VAL 19 3.465 17.482 0.198 128 HG23 VAL 19 3HG2 VAL 19 2.077 17.436 -0.888 129 H ASP 20 H ASP 20 1.286 19.018 -2.130 130 HA ASP 20 HA ASP 20 -1.551 18.872 -2.725 131 HB2 ASP 20 1HB ASP 20 0.230 19.716 -4.344 132 HB3 ASP 20 2HB ASP 20 0.715 18.033 -4.531 133 H THR 21 H THR 21 1.202 16.610 -2.928 134 HA THR 21 HA THR 21 1.187 14.307 -3.108 135 HB THR 21 HB THR 21 0.242 13.244 -1.039 136 HG1 THR 21 1HG THR 21 -1.468 14.860 -0.800 137 HG21 THR 21 1HG2 THR 21 2.351 15.173 -1.272 138 HG22 THR 21 2HG2 THR 21 2.273 13.728 -0.263 139 HG23 THR 21 3HG2 THR 21 1.644 15.261 0.341 140 H SER 22 H SER 22 -0.746 15.280 -4.826 141 HA SER 22 HA SER 22 -3.016 13.449 -4.419 142 HB2 SER 22 1HB SER 22 -2.783 16.149 -5.640 143 HB3 SER 22 2HB SER 22 -3.907 15.024 -6.403 144 HG SER 22 HG SER 22 -4.842 16.319 -4.707 145 H ARG 23 H ARG 23 -0.277 14.132 -6.345 146 HA ARG 23 HA ARG 23 -1.204 12.262 -8.423 147 HB2 ARG 23 1HB ARG 23 0.677 13.260 -9.791 148 HB3 ARG 23 2HB ARG 23 -0.670 14.336 -9.444 149 HG2 ARG 23 1HG ARG 23 0.616 15.383 -7.656 150 HG3 ARG 23 2HG ARG 23 1.964 14.294 -7.986 151 HD2 ARG 23 1HD ARG 23 2.509 16.290 -9.095 152 HD3 ARG 23 2HD ARG 23 1.917 15.211 -10.358 153 HE ARG 23 HE ARG 23 -0.049 16.995 -9.192 154 HH11 ARG 23 1HH1 ARG 23 2.228 16.414 -11.761 155 HH12 ARG 23 2HH1 ARG 23 1.486 17.540 -12.849 156 HH21 ARG 23 1HH2 ARG 23 -1.035 18.480 -10.616 157 HH22 ARG 23 2HH2 ARG 23 -0.369 18.715 -12.196 158 H ILE 24 H ILE 24 0.057 11.741 -5.727 159 HA ILE 24 HA ILE 24 2.691 10.758 -6.226 160 HB ILE 24 HB ILE 24 0.757 10.306 -3.960 161 HG12 ILE 24 1HG1 ILE 24 3.344 11.855 -4.211 162 HG13 ILE 24 2HG1 ILE 24 1.727 12.535 -4.064 163 HG21 ILE 24 1HG2 ILE 24 3.020 8.715 -4.692 164 HG22 ILE 24 2HG2 ILE 24 3.344 9.542 -3.169 165 HG23 ILE 24 3HG2 ILE 24 1.916 8.521 -3.331 166 HD11 ILE 24 1HD1 ILE 24 1.991 12.582 -1.874 167 HD12 ILE 24 2HD1 ILE 24 2.089 10.821 -1.864 168 HD13 ILE 24 3HD1 ILE 24 3.557 11.785 -2.017 169 H LYS 25 H LYS 25 3.273 8.920 -7.163 170 HA LYS 25 HA LYS 25 1.239 6.827 -7.531 171 HB2 LYS 25 1HB LYS 25 3.507 7.803 -9.193 172 HB3 LYS 25 2HB LYS 25 3.121 6.089 -9.276 173 HG2 LYS 25 1HG LYS 25 0.939 8.095 -9.592 174 HG3 LYS 25 2HG LYS 25 2.033 7.774 -10.939 175 HD2 LYS 25 1HD LYS 25 1.470 5.261 -10.316 176 HD3 LYS 25 2HD LYS 25 0.009 6.007 -9.664 177 HE2 LYS 25 1HE LYS 25 -0.161 7.187 -11.936 178 HE3 LYS 25 2HE LYS 25 1.017 5.999 -12.491 179 HZ1 LYS 25 1HZ LYS 25 -0.854 4.855 -12.957 180 HZ2 LYS 25 2HZ LYS 25 -1.784 5.645 -11.786 181 HZ3 LYS 25 3HZ LYS 25 -0.736 4.397 -11.333 182 H VAL 26 H VAL 26 1.913 4.600 -7.382 183 HA VAL 26 HA VAL 26 4.394 4.110 -5.908 184 HB VAL 26 HB VAL 26 3.127 2.558 -4.367 185 HG11 VAL 26 1HG1 VAL 26 3.697 5.257 -4.166 186 HG12 VAL 26 2HG1 VAL 26 2.025 5.135 -3.616 187 HG13 VAL 26 3HG1 VAL 26 3.283 4.173 -2.838 188 HG21 VAL 26 1HG2 VAL 26 0.780 2.828 -4.074 189 HG22 VAL 26 2HG2 VAL 26 0.730 4.179 -5.207 190 HG23 VAL 26 3HG2 VAL 26 1.059 2.548 -5.793 191 H PHE 27 H PHE 27 5.442 2.411 -6.702 192 HA PHE 27 HA PHE 27 3.900 0.328 -8.097 193 HB2 PHE 27 1HB PHE 27 5.949 0.138 -9.624 194 HB3 PHE 27 2HB PHE 27 4.892 1.523 -9.871 195 HD1 PHE 27 1HD PHE 27 5.582 3.759 -9.071 196 HD2 PHE 27 2HD PHE 27 8.202 0.407 -8.947 197 HE1 PHE 27 1HE PHE 27 7.502 5.274 -8.803 198 HE2 PHE 27 2HE PHE 27 10.126 1.916 -8.678 199 HZ PHE 27 HZ PHE 27 9.778 4.353 -8.604 200 H GLY 28 H GLY 28 4.542 -1.769 -7.783 201 HA2 GLY 28 1HA GLY 28 6.752 -3.017 -7.124 202 HA3 GLY 28 2HA GLY 28 6.466 -2.171 -5.610 203 HA PRO 29 HA PRO 29 4.042 -6.275 -6.012 204 HB2 PRO 29 1HB PRO 29 5.688 -7.899 -4.590 205 HB3 PRO 29 2HB PRO 29 5.806 -7.709 -6.343 206 HG2 PRO 29 1HG PRO 29 7.431 -6.419 -4.185 207 HG3 PRO 29 2HG PRO 29 7.968 -7.115 -5.725 208 HD2 PRO 29 1HD PRO 29 7.654 -4.450 -5.361 209 HD3 PRO 29 2HD PRO 29 7.369 -5.241 -6.925 210 H GLY 30 H GLY 30 5.946 -4.872 -3.379 211 HA2 GLY 30 1HA GLY 30 4.519 -5.976 -1.226 212 HA3 GLY 30 2HA GLY 30 5.446 -4.484 -1.174 213 H ILE 31 H ILE 31 3.677 -3.452 -3.424 214 HA ILE 31 HA ILE 31 1.427 -2.671 -1.692 215 HB ILE 31 HB ILE 31 3.002 -0.855 -2.421 216 HG12 ILE 31 1HG1 ILE 31 1.149 0.688 -3.164 217 HG13 ILE 31 2HG1 ILE 31 0.101 -0.723 -3.262 218 HG21 ILE 31 1HG2 ILE 31 2.080 -0.262 -4.965 219 HG22 ILE 31 2HG2 ILE 31 3.671 -0.892 -4.543 220 HG23 ILE 31 3HG2 ILE 31 2.379 -1.999 -5.007 221 HD11 ILE 31 1HD1 ILE 31 -0.049 -0.937 -1.004 222 HD12 ILE 31 2HD1 ILE 31 1.541 -0.228 -0.717 223 HD13 ILE 31 3HD1 ILE 31 0.174 0.808 -1.126 224 H GLU 32 H GLU 32 2.313 -4.138 -4.679 225 HA GLU 32 HA GLU 32 -0.330 -3.875 -5.845 226 HB2 GLU 32 1HB GLU 32 2.182 -5.279 -6.755 227 HB3 GLU 32 2HB GLU 32 0.667 -5.347 -7.646 228 HG2 GLU 32 1HG GLU 32 1.766 -2.683 -6.925 229 HG3 GLU 32 2HG GLU 32 2.530 -3.590 -8.230 230 H GLY 33 H GLY 33 1.744 -6.501 -4.632 231 HA2 GLY 33 1HA GLY 33 0.751 -8.201 -3.207 232 HA3 GLY 33 2HA GLY 33 -0.712 -8.071 -4.171 233 H LYS 34 H LYS 34 2.635 -8.311 -5.295 234 HA LYS 34 HA LYS 34 1.868 -10.598 -6.935 235 HB2 LYS 34 1HB LYS 34 4.526 -9.170 -6.912 236 HB3 LYS 34 2HB LYS 34 3.877 -10.211 -8.172 237 HG2 LYS 34 1HG LYS 34 2.747 -7.534 -7.380 238 HG3 LYS 34 2HG LYS 34 3.792 -7.834 -8.771 239 HD2 LYS 34 1HD LYS 34 1.325 -9.472 -8.496 240 HD3 LYS 34 2HD LYS 34 1.150 -7.785 -8.987 241 HE2 LYS 34 1HE LYS 34 3.194 -9.455 -10.360 242 HE3 LYS 34 2HE LYS 34 1.497 -9.721 -10.755 243 HZ1 LYS 34 1HZ LYS 34 3.126 -7.801 -11.817 244 HZ2 LYS 34 2HZ LYS 34 2.165 -6.947 -10.719 245 HZ3 LYS 34 3HZ LYS 34 1.440 -7.861 -11.943 246 H ASP 35 H ASP 35 4.872 -9.843 -5.175 247 HA ASP 35 HA ASP 35 5.010 -12.669 -4.377 248 HB2 ASP 35 1HB ASP 35 7.456 -11.999 -3.854 249 HB3 ASP 35 2HB ASP 35 6.977 -12.177 -5.540 250 H VAL 36 H VAL 36 3.342 -10.756 -3.005 251 HA VAL 36 HA VAL 36 4.727 -10.131 -0.530 252 HB VAL 36 HB VAL 36 1.787 -9.792 -1.115 253 HG11 VAL 36 1HG1 VAL 36 2.016 -9.489 1.154 254 HG12 VAL 36 2HG1 VAL 36 3.653 -8.846 1.013 255 HG13 VAL 36 3HG1 VAL 36 2.270 -7.847 0.563 256 HG21 VAL 36 1HG2 VAL 36 4.137 -8.110 -1.872 257 HG22 VAL 36 2HG2 VAL 36 2.698 -8.512 -2.808 258 HG23 VAL 36 3HG2 VAL 36 2.596 -7.342 -1.492 259 H PHE 37 H PHE 37 4.086 -12.948 -1.520 260 HA PHE 37 HA PHE 37 2.138 -14.230 -0.102 261 HB2 PHE 37 1HB PHE 37 4.883 -15.438 -0.244 262 HB3 PHE 37 2HB PHE 37 3.318 -16.221 -0.434 263 HD1 PHE 37 1HD PHE 37 1.964 -14.693 -2.439 264 HD2 PHE 37 2HD PHE 37 6.089 -15.707 -2.178 265 HE1 PHE 37 1HE PHE 37 2.163 -14.498 -4.884 266 HE2 PHE 37 2HE PHE 37 6.295 -15.513 -4.622 267 HZ PHE 37 HZ PHE 37 4.331 -14.907 -5.978 268 H ARG 38 H ARG 38 2.148 -15.438 1.893 269 HA ARG 38 HA ARG 38 2.892 -13.927 4.118 270 HB2 ARG 38 1HB ARG 38 1.111 -15.694 4.043 271 HB3 ARG 38 2HB ARG 38 2.386 -16.904 4.086 272 HG2 ARG 38 1HG ARG 38 3.086 -16.173 6.262 273 HG3 ARG 38 2HG ARG 38 1.959 -14.816 6.210 274 HD2 ARG 38 1HD ARG 38 0.085 -16.235 6.369 275 HD3 ARG 38 2HD ARG 38 1.041 -17.667 5.990 276 HE ARG 38 HE ARG 38 0.610 -16.562 8.556 277 HH11 ARG 38 1HH1 ARG 38 3.067 -18.071 6.606 278 HH12 ARG 38 2HH1 ARG 38 3.924 -18.727 7.961 279 HH21 ARG 38 1HH2 ARG 38 1.729 -17.420 10.349 280 HH22 ARG 38 2HH2 ARG 38 3.162 -18.357 10.090 281 H GLU 39 H GLU 39 4.607 -13.951 5.496 282 HA GLU 39 HA GLU 39 6.731 -14.281 6.240 283 HB2 GLU 39 1HB GLU 39 6.111 -17.013 5.141 284 HB3 GLU 39 2HB GLU 39 7.675 -16.644 5.855 285 HG2 GLU 39 1HG GLU 39 6.658 -16.133 7.964 286 HG3 GLU 39 2HG GLU 39 5.045 -16.294 7.272 287 H ALA 40 H ALA 40 6.345 -13.063 3.698 288 HA ALA 40 HA ALA 40 8.873 -13.818 2.385 289 HB1 ALA 40 1HB ALA 40 6.399 -14.091 1.242 290 HB2 ALA 40 2HB ALA 40 6.929 -12.520 0.638 291 HB3 ALA 40 3HB ALA 40 7.924 -13.950 0.365 292 H THR 41 H THR 41 10.119 -12.128 1.528 293 HA THR 41 HA THR 41 9.700 -9.576 2.857 294 HB THR 41 HB THR 41 12.029 -10.450 1.139 295 HG1 THR 41 1HG THR 41 12.149 -10.285 3.941 296 HG21 THR 41 1HG2 THR 41 11.311 -7.928 2.196 297 HG22 THR 41 2HG2 THR 41 12.817 -8.384 1.399 298 HG23 THR 41 3HG2 THR 41 12.669 -8.524 3.151 299 H THR 42 H THR 42 8.237 -8.344 1.809 300 HA THR 42 HA THR 42 8.718 -7.825 -1.054 301 HB THR 42 HB THR 42 6.582 -9.052 -0.609 302 HG1 THR 42 1HG THR 42 6.871 -6.650 -1.935 303 HG21 THR 42 1HG2 THR 42 4.745 -7.366 0.245 304 HG22 THR 42 2HG2 THR 42 6.117 -6.641 1.084 305 HG23 THR 42 3HG2 THR 42 5.691 -8.326 1.382 306 H ASP 43 H ASP 43 8.502 -5.702 -1.784 307 HA ASP 43 HA ASP 43 7.888 -3.597 0.120 308 HB2 ASP 43 1HB ASP 43 10.011 -2.410 -0.256 309 HB3 ASP 43 2HB ASP 43 10.272 -3.972 0.514 310 H PHE 44 H PHE 44 7.713 -1.482 -0.896 311 HA PHE 44 HA PHE 44 7.283 -1.653 -3.805 312 HB2 PHE 44 1HB PHE 44 5.394 -0.051 -3.495 313 HB3 PHE 44 2HB PHE 44 5.119 -1.616 -2.737 314 HD1 PHE 44 2HD PHE 44 5.294 -1.844 -0.282 315 HD2 PHE 44 1HD PHE 44 5.507 1.940 -2.218 316 HE1 PHE 44 2HE PHE 44 4.838 -0.725 1.862 317 HE2 PHE 44 1HE PHE 44 5.053 3.065 -0.078 318 HZ PHE 44 HZ PHE 44 4.716 1.732 1.966 319 H THR 45 H THR 45 7.018 0.696 -4.710 320 HA THR 45 HA THR 45 9.076 2.416 -3.493 321 HB THR 45 HB THR 45 8.712 1.991 -6.464 322 HG1 THR 45 1HG THR 45 9.654 0.158 -5.477 323 HG21 THR 45 1HG2 THR 45 10.546 3.682 -4.799 324 HG22 THR 45 2HG2 THR 45 9.598 4.132 -6.217 325 HG23 THR 45 3HG2 THR 45 11.037 3.129 -6.400 326 H VAL 46 H VAL 46 8.530 4.497 -3.249 327 HA VAL 46 HA VAL 46 5.982 5.384 -4.421 328 HB VAL 46 HB VAL 46 7.474 6.460 -2.024 329 HG11 VAL 46 1HG1 VAL 46 5.843 8.077 -1.754 330 HG12 VAL 46 2HG1 VAL 46 6.057 8.055 -3.506 331 HG13 VAL 46 3HG1 VAL 46 4.683 7.225 -2.774 332 HG21 VAL 46 1HG2 VAL 46 6.452 4.835 -0.904 333 HG22 VAL 46 2HG2 VAL 46 4.911 5.589 -1.313 334 HG23 VAL 46 3HG2 VAL 46 5.574 4.323 -2.345 335 H ASP 47 H ASP 47 6.016 6.853 -5.982 336 HA ASP 47 HA ASP 47 8.511 8.276 -6.535 337 HB2 ASP 47 1HB ASP 47 7.732 7.233 -8.487 338 HB3 ASP 47 2HB ASP 47 6.056 7.668 -8.160 339 H SER 48 H SER 48 8.761 10.281 -5.834 340 HA SER 48 HA SER 48 6.406 12.036 -5.684 341 HB2 SER 48 1HB SER 48 8.608 12.044 -3.616 342 HB3 SER 48 2HB SER 48 7.071 12.907 -3.559 343 HG SER 48 HG SER 48 7.410 10.087 -3.499 344 H ARG 49 H ARG 49 6.672 13.920 -6.688 345 HA ARG 49 HA ARG 49 9.406 14.713 -7.438 346 HB2 ARG 49 1HB ARG 49 6.818 14.755 -8.855 347 HB3 ARG 49 2HB ARG 49 7.815 16.187 -9.072 348 HG2 ARG 49 1HG ARG 49 9.569 14.952 -10.032 349 HG3 ARG 49 2HG ARG 49 8.885 13.417 -9.495 350 HD2 ARG 49 1HD ARG 49 6.978 13.754 -11.003 351 HD3 ARG 49 2HD ARG 49 7.687 15.272 -11.549 352 HE ARG 49 HE ARG 49 9.365 12.937 -11.866 353 HH11 ARG 49 1HH1 ARG 49 7.011 15.054 -13.312 354 HH12 ARG 49 2HH1 ARG 49 7.438 14.634 -14.938 355 HH21 ARG 49 1HH2 ARG 49 9.938 12.375 -14.002 356 HH22 ARG 49 2HH2 ARG 49 9.103 13.109 -15.329 357 HA PRO 50 HA PRO 50 7.426 18.922 -6.290 358 HB2 PRO 50 1HB PRO 50 4.773 19.001 -5.721 359 HB3 PRO 50 2HB PRO 50 5.408 19.166 -7.362 360 HG2 PRO 50 1HG PRO 50 4.251 16.758 -6.011 361 HG3 PRO 50 2HG PRO 50 3.981 17.354 -7.659 362 HD2 PRO 50 1HD PRO 50 5.670 15.310 -7.108 363 HD3 PRO 50 2HD PRO 50 5.948 16.444 -8.446 364 H LEU 51 H LEU 51 7.633 16.237 -4.610 365 HA LEU 51 HA LEU 51 6.877 17.493 -2.053 366 HB2 LEU 51 1HB LEU 51 7.162 14.535 -2.451 367 HB3 LEU 51 2HB LEU 51 6.351 15.397 -1.145 368 HG LEU 51 HG LEU 51 5.382 15.064 -3.981 369 HD11 LEU 51 1HD1 LEU 51 5.165 13.144 -2.361 370 HD12 LEU 51 2HD1 LEU 51 3.659 13.733 -3.063 371 HD13 LEU 51 3HD1 LEU 51 4.094 14.177 -1.412 372 HD21 LEU 51 1HD2 LEU 51 4.964 17.328 -2.792 373 HD22 LEU 51 2HD2 LEU 51 3.831 16.406 -1.802 374 HD23 LEU 51 3HD2 LEU 51 3.610 16.490 -3.551 375 H THR 52 H THR 52 9.173 15.270 -3.603 376 HA THR 52 HA THR 52 11.227 16.223 -1.723 377 HB THR 52 HB THR 52 10.428 13.896 -1.158 378 HG1 THR 52 1HG THR 52 13.122 13.750 -1.965 379 HG21 THR 52 1HG2 THR 52 11.941 13.064 -3.625 380 HG22 THR 52 2HG2 THR 52 10.186 13.245 -3.604 381 HG23 THR 52 3HG2 THR 52 10.964 12.063 -2.552 382 H GLN 53 H GLN 53 13.469 15.786 -2.529 383 HA GLN 53 HA GLN 53 13.617 15.786 -5.464 384 HB2 GLN 53 1HB GLN 53 15.136 17.674 -3.657 385 HB3 GLN 53 2HB GLN 53 15.252 17.596 -5.410 386 HG2 GLN 53 1HG GLN 53 12.718 18.258 -3.934 387 HG3 GLN 53 2HG GLN 53 13.861 19.465 -4.520 388 HE21 GLN 53 1HE2 GLN 53 11.159 17.637 -5.254 389 HE22 GLN 53 2HE2 GLN 53 11.107 17.919 -6.958 390 H VAL 54 H VAL 54 15.351 15.428 -2.402 391 HA VAL 54 HA VAL 54 17.103 13.464 -3.718 392 HB VAL 54 HB VAL 54 19.005 14.205 -2.404 393 HG11 VAL 54 1HG1 VAL 54 17.668 15.866 -4.374 394 HG12 VAL 54 2HG1 VAL 54 18.752 16.794 -3.334 395 HG13 VAL 54 3HG1 VAL 54 19.367 15.412 -4.243 396 HG21 VAL 54 1HG2 VAL 54 18.049 16.744 -1.483 397 HG22 VAL 54 2HG2 VAL 54 17.048 15.454 -0.816 398 HG23 VAL 54 3HG2 VAL 54 18.793 15.435 -0.565 399 H GLY 55 H GLY 55 14.754 12.848 -2.323 400 HA2 GLY 55 1HA GLY 55 14.255 11.063 -0.894 401 HA3 GLY 55 2HA GLY 55 15.874 11.179 -0.220 402 H GLY 56 H GLY 56 13.528 10.852 1.319 403 HA2 GLY 56 1HA GLY 56 13.831 13.134 3.078 404 HA3 GLY 56 2HA GLY 56 12.227 12.957 2.383 405 H ASP 57 H ASP 57 12.362 12.894 5.043 406 HA ASP 57 HA ASP 57 11.971 10.045 5.674 407 HB2 ASP 57 1HB ASP 57 14.062 11.221 6.685 408 HB3 ASP 57 2HB ASP 57 12.899 11.999 7.756 409 H HIS 58 H HIS 58 9.948 11.739 4.762 410 HA HIS 58 HA HIS 58 8.364 12.198 7.204 411 HB2 HIS 58 1HB HIS 58 8.560 13.688 4.636 412 HB3 HIS 58 2HB HIS 58 6.979 13.609 5.408 413 HD1 HIS 58 1HD HIS 58 6.622 15.730 6.614 414 HD2 HIS 58 2HD HIS 58 10.533 14.382 7.000 415 HE1 HIS 58 1HE HIS 58 7.752 17.375 8.143 416 H ILE 59 H ILE 59 8.694 9.668 5.796 417 HA ILE 59 HA ILE 59 5.954 9.268 4.791 418 HB ILE 59 HB ILE 59 8.383 7.550 4.273 419 HG12 ILE 59 1HG1 ILE 59 8.477 9.771 3.163 420 HG13 ILE 59 2HG1 ILE 59 8.346 8.442 2.016 421 HG21 ILE 59 1HG2 ILE 59 5.824 6.724 4.254 422 HG22 ILE 59 2HG2 ILE 59 5.963 7.330 2.604 423 HG23 ILE 59 3HG2 ILE 59 7.065 6.079 3.179 424 HD11 ILE 59 1HD1 ILE 59 6.136 8.957 1.496 425 HD12 ILE 59 2HD1 ILE 59 5.932 9.950 2.939 426 HD13 ILE 59 3HD1 ILE 59 6.935 10.525 1.608 427 H LYS 60 H LYS 60 4.657 7.764 5.716 428 HA LYS 60 HA LYS 60 5.767 5.920 7.687 429 HB2 LYS 60 1HB LYS 60 5.167 7.910 8.983 430 HB3 LYS 60 2HB LYS 60 3.542 7.870 8.313 431 HG2 LYS 60 1HG LYS 60 3.142 6.850 10.297 432 HG3 LYS 60 2HG LYS 60 3.574 5.431 9.341 433 HD2 LYS 60 1HD LYS 60 6.002 6.018 10.154 434 HD3 LYS 60 2HD LYS 60 5.138 6.859 11.443 435 HE2 LYS 60 1HE LYS 60 3.871 4.722 11.839 436 HE3 LYS 60 2HE LYS 60 4.988 3.938 10.722 437 HZ1 LYS 60 1HZ LYS 60 5.533 5.076 13.385 438 HZ2 LYS 60 2HZ LYS 60 6.783 4.914 12.257 439 HZ3 LYS 60 3HZ LYS 60 5.932 3.548 12.778 440 H ALA 61 H ALA 61 4.783 3.984 7.664 441 HA ALA 61 HA ALA 61 2.168 3.771 6.327 442 HB1 ALA 61 1HB ALA 61 4.166 1.579 6.028 443 HB2 ALA 61 2HB ALA 61 2.833 2.043 4.969 444 HB3 ALA 61 3HB ALA 61 4.304 3.015 5.013 445 H HIS 62 H HIS 62 0.802 2.111 7.052 446 HA HIS 62 HA HIS 62 1.663 0.563 9.376 447 HB2 HIS 62 1HB HIS 62 0.661 2.644 10.263 448 HB3 HIS 62 2HB HIS 62 -0.822 2.290 9.382 449 HD1 HIS 62 1HD HIS 62 -0.112 2.401 12.628 450 HD2 HIS 62 2HD HIS 62 -1.175 -0.849 10.268 451 HE1 HIS 62 1HE HIS 62 -1.058 0.698 14.217 452 H ILE 63 H ILE 63 1.374 -1.431 8.584 453 HA ILE 63 HA ILE 63 -0.825 -2.073 6.835 454 HB ILE 63 HB ILE 63 1.248 -3.865 8.105 455 HG12 ILE 63 1HG1 ILE 63 1.165 -3.207 5.195 456 HG13 ILE 63 2HG1 ILE 63 1.794 -1.993 6.304 457 HG21 ILE 63 1HG2 ILE 63 -1.186 -4.507 6.782 458 HG22 ILE 63 2HG2 ILE 63 0.157 -4.975 5.741 459 HG23 ILE 63 3HG2 ILE 63 0.061 -5.596 7.388 460 HD11 ILE 63 1HD1 ILE 63 3.243 -3.986 7.177 461 HD12 ILE 63 2HD1 ILE 63 2.895 -4.656 5.583 462 HD13 ILE 63 3HD1 ILE 63 3.706 -3.097 5.725 463 H ALA 64 H ALA 64 -2.622 -3.277 7.292 464 HA ALA 64 HA ALA 64 -3.019 -4.107 10.088 465 HB1 ALA 64 1HB ALA 64 -5.394 -3.355 9.876 466 HB2 ALA 64 2HB ALA 64 -4.209 -2.049 9.883 467 HB3 ALA 64 3HB ALA 64 -4.948 -2.562 8.366 468 H ASN 65 H ASN 65 -2.942 -6.274 9.862 469 HA ASN 65 HA ASN 65 -3.810 -7.736 7.634 470 HB2 ASN 65 1HB ASN 65 -3.265 -8.468 10.499 471 HB3 ASN 65 2HB ASN 65 -3.883 -9.666 9.366 472 HD21 ASN 65 1HD2 ASN 65 -1.403 -9.819 10.676 473 HD22 ASN 65 2HD2 ASN 65 -0.158 -9.743 9.480 474 HA PRO 66 HA PRO 66 -8.175 -7.996 8.015 475 HB2 PRO 66 1HB PRO 66 -8.641 -10.512 7.107 476 HB3 PRO 66 2HB PRO 66 -8.159 -9.182 6.047 477 HG2 PRO 66 1HG PRO 66 -6.486 -11.367 7.225 478 HG3 PRO 66 2HG PRO 66 -6.467 -10.707 5.579 479 HD2 PRO 66 1HD PRO 66 -4.644 -10.000 7.454 480 HD3 PRO 66 2HD PRO 66 -5.198 -8.882 6.191 481 H SER 67 H SER 67 -6.135 -9.666 10.024 482 HA SER 67 HA SER 67 -8.329 -11.008 11.451 483 HB2 SER 67 1HB SER 67 -5.368 -11.484 11.335 484 HB3 SER 67 2HB SER 67 -6.297 -12.046 12.724 485 HG SER 67 HG SER 67 -7.478 -12.671 10.348 486 H GLY 68 H GLY 68 -5.937 -8.502 11.667 487 HA2 GLY 68 1HA GLY 68 -6.762 -6.734 13.309 488 HA3 GLY 68 2HA GLY 68 -6.670 -8.035 14.487 489 H ALA 69 H ALA 69 -4.223 -9.108 13.151 490 HA ALA 69 HA ALA 69 -2.310 -7.772 14.743 491 HB1 ALA 69 1HB ALA 69 -0.974 -9.499 14.240 492 HB2 ALA 69 2HB ALA 69 -2.419 -10.192 13.501 493 HB3 ALA 69 3HB ALA 69 -1.245 -9.332 12.505 494 H SER 70 H SER 70 -0.182 -6.979 13.760 495 HA SER 70 HA SER 70 -0.654 -5.388 11.336 496 HB2 SER 70 1HB SER 70 0.197 -3.393 12.330 497 HB3 SER 70 2HB SER 70 -1.003 -4.030 13.455 498 HG SER 70 HG SER 70 0.617 -4.756 14.769 499 H THR 71 H THR 71 0.995 -5.392 9.936 500 HA THR 71 HA THR 71 3.384 -6.899 10.642 501 HB THR 71 HB THR 71 2.609 -5.754 7.953 502 HG1 THR 71 1HG THR 71 1.241 -7.491 9.085 503 HG21 THR 71 1HG2 THR 71 4.206 -8.114 7.827 504 HG22 THR 71 2HG2 THR 71 4.998 -6.955 8.894 505 HG23 THR 71 3HG2 THR 71 4.585 -6.494 7.243 506 H GLU 72 H GLU 72 5.254 -5.983 11.167 507 HA GLU 72 HA GLU 72 5.612 -3.240 11.480 508 HB2 GLU 72 1HB GLU 72 6.948 -5.218 12.475 509 HB3 GLU 72 2HB GLU 72 7.916 -5.112 11.011 510 HG2 GLU 72 1HG GLU 72 8.688 -2.964 11.544 511 HG3 GLU 72 2HG GLU 72 7.454 -2.738 12.781 512 H CYS 73 H CYS 73 6.253 -1.627 10.185 513 HA CYS 73 HA CYS 73 6.857 -2.294 7.393 514 HB2 CYS 73 1HB CYS 73 6.256 0.050 6.908 515 HB3 CYS 73 2HB CYS 73 4.950 -0.811 7.713 516 HG CYS 73 HG CYS 73 5.402 0.350 10.207 517 H PHE 74 H PHE 74 8.694 -1.609 6.381 518 HA PHE 74 HA PHE 74 10.678 -0.209 8.051 519 HB2 PHE 74 1HB PHE 74 11.116 -2.490 6.116 520 HB3 PHE 74 2HB PHE 74 12.419 -1.537 6.818 521 HD1 PHE 74 1HD PHE 74 9.502 -3.638 7.776 522 HD2 PHE 74 2HD PHE 74 13.365 -2.188 8.824 523 HE1 PHE 74 1HE PHE 74 9.526 -5.126 9.735 524 HE2 PHE 74 2HE PHE 74 13.395 -3.675 10.784 525 HZ PHE 74 HZ PHE 74 11.474 -5.147 11.241 526 H VAL 75 H VAL 75 10.513 1.815 7.222 527 HA VAL 75 HA VAL 75 10.282 2.309 4.401 528 HB VAL 75 HB VAL 75 10.849 4.225 6.667 529 HG11 VAL 75 1HG1 VAL 75 11.532 5.459 4.870 530 HG12 VAL 75 2HG1 VAL 75 10.488 4.594 3.739 531 HG13 VAL 75 3HG1 VAL 75 9.803 5.803 4.826 532 HG21 VAL 75 1HG2 VAL 75 8.662 2.978 6.724 533 HG22 VAL 75 2HG2 VAL 75 8.529 4.735 6.665 534 HG23 VAL 75 3HG2 VAL 75 8.253 3.781 5.208 535 H THR 76 H THR 76 11.851 2.700 2.963 536 HA THR 76 HA THR 76 14.568 3.249 3.937 537 HB THR 76 HB THR 76 13.894 1.204 1.812 538 HG1 THR 76 1HG THR 76 13.580 0.248 3.774 539 HG21 THR 76 1HG2 THR 76 15.934 2.226 1.179 540 HG22 THR 76 2HG2 THR 76 16.383 0.733 2.005 541 HG23 THR 76 3HG2 THR 76 16.510 2.279 2.844 542 H ASP 77 H ASP 77 14.952 5.231 3.175 543 HA ASP 77 HA ASP 77 13.902 6.073 0.604 544 HB2 ASP 77 1HB ASP 77 13.759 7.747 2.266 545 HB3 ASP 77 2HB ASP 77 15.414 7.473 2.801 546 H ASN 78 H ASN 78 14.993 6.079 -1.252 547 HA ASN 78 HA ASN 78 17.696 5.063 -1.305 548 HB2 ASN 78 1HB ASN 78 15.821 5.903 -3.526 549 HB3 ASN 78 2HB ASN 78 17.410 5.188 -3.783 550 HD21 ASN 78 1HD2 ASN 78 14.125 4.621 -3.086 551 HD22 ASN 78 2HD2 ASN 78 14.212 2.901 -2.943 552 H ALA 79 H ALA 79 16.894 7.864 -0.328 553 HA ALA 79 HA ALA 79 17.583 10.047 -0.550 554 HB1 ALA 79 1HB ALA 79 19.724 8.296 -0.095 555 HB2 ALA 79 2HB ALA 79 20.303 9.482 -1.266 556 HB3 ALA 79 3HB ALA 79 19.642 10.019 0.278 557 H ASP 80 H ASP 80 16.511 8.970 -2.999 558 HA ASP 80 HA ASP 80 18.059 10.553 -4.944 559 HB2 ASP 80 1HB ASP 80 17.570 9.015 -6.668 560 HB3 ASP 80 2HB ASP 80 18.041 8.019 -5.294 561 H GLY 81 H GLY 81 14.923 9.655 -3.686 562 HA2 GLY 81 1HA GLY 81 13.535 11.890 -3.871 563 HA3 GLY 81 2HA GLY 81 13.563 11.433 -5.568 564 H THR 82 H THR 82 13.593 8.548 -4.229 565 HA THR 82 HA THR 82 10.659 8.409 -3.963 566 HB THR 82 HB THR 82 10.789 6.111 -4.873 567 HG1 THR 82 1HG THR 82 13.369 6.599 -5.846 568 HG21 THR 82 1HG2 THR 82 11.897 7.112 -7.195 569 HG22 THR 82 2HG2 THR 82 11.350 8.560 -6.347 570 HG23 THR 82 3HG2 THR 82 10.210 7.263 -6.704 571 H TYR 83 H TYR 83 9.900 6.480 -2.722 572 HA TYR 83 HA TYR 83 11.740 5.903 -0.492 573 HB2 TYR 83 1HB TYR 83 8.726 6.041 -0.321 574 HB3 TYR 83 2HB TYR 83 9.863 5.885 1.014 575 HD1 TYR 83 2HD TYR 83 11.189 7.809 1.750 576 HD2 TYR 83 1HD TYR 83 8.314 8.177 -1.365 577 HE1 TYR 83 2HE TYR 83 11.256 10.256 1.985 578 HE2 TYR 83 1HE TYR 83 8.374 10.625 -1.139 579 HH TYR 83 HH TYR 83 10.055 12.188 1.476 580 H GLN 84 H GLN 84 11.905 3.824 0.232 581 HA GLN 84 HA GLN 84 10.336 1.790 -1.211 582 HB2 GLN 84 1HB GLN 84 12.694 1.907 -1.990 583 HB3 GLN 84 2HB GLN 84 13.224 1.551 -0.351 584 HG2 GLN 84 1HG GLN 84 13.311 -0.537 -1.221 585 HG3 GLN 84 2HG GLN 84 11.635 -0.534 -0.676 586 HE21 GLN 84 1HE2 GLN 84 10.275 -1.329 -2.093 587 HE22 GLN 84 2HE2 GLN 84 10.426 -1.257 -3.813 588 H VAL 85 H VAL 85 8.924 1.046 0.245 589 HA VAL 85 HA VAL 85 9.827 0.576 2.999 590 HB VAL 85 HB VAL 85 7.023 0.618 1.872 591 HG11 VAL 85 1HG1 VAL 85 7.778 -0.775 4.039 592 HG12 VAL 85 2HG1 VAL 85 7.507 0.804 4.779 593 HG13 VAL 85 3HG1 VAL 85 6.206 0.010 3.891 594 HG21 VAL 85 1HG2 VAL 85 7.482 2.838 1.897 595 HG22 VAL 85 2HG2 VAL 85 7.083 2.656 3.605 596 HG23 VAL 85 3HG2 VAL 85 8.770 2.672 3.091 597 H GLU 86 H GLU 86 10.143 -1.420 3.747 598 HA GLU 86 HA GLU 86 9.143 -3.678 2.138 599 HB2 GLU 86 1HB GLU 86 11.589 -3.465 2.045 600 HB3 GLU 86 2HB GLU 86 11.665 -3.536 3.800 601 HG2 GLU 86 1HG GLU 86 10.488 -5.811 3.540 602 HG3 GLU 86 2HG GLU 86 11.000 -5.707 1.856 603 H TYR 87 H TYR 87 8.046 -5.277 3.146 604 HA TYR 87 HA TYR 87 8.079 -5.500 6.039 605 HB2 TYR 87 1HB TYR 87 5.756 -5.129 6.384 606 HB3 TYR 87 2HB TYR 87 6.334 -3.761 5.439 607 HD1 TYR 87 2HD TYR 87 4.396 -6.897 5.299 608 HD2 TYR 87 1HD TYR 87 5.513 -3.347 3.237 609 HE1 TYR 87 2HE TYR 87 2.660 -7.337 3.613 610 HE2 TYR 87 1HE TYR 87 3.779 -3.776 1.546 611 HH TYR 87 HH TYR 87 2.107 -5.092 0.916 612 H THR 88 H THR 88 7.314 -7.483 6.802 613 HA THR 88 HA THR 88 6.796 -9.490 4.706 614 HB THR 88 HB THR 88 8.030 -10.073 7.397 615 HG1 THR 88 1HG THR 88 9.280 -9.485 4.905 616 HG21 THR 88 1HG2 THR 88 8.397 -12.208 6.625 617 HG22 THR 88 2HG2 THR 88 8.410 -11.710 4.933 618 HG23 THR 88 3HG2 THR 88 6.882 -11.830 5.805 619 HA PRO 89 HA PRO 89 2.905 -9.554 7.031 620 HB2 PRO 89 1HB PRO 89 1.500 -10.766 5.050 621 HB3 PRO 89 2HB PRO 89 1.825 -9.029 5.072 622 HG2 PRO 89 1HG PRO 89 3.230 -11.200 3.564 623 HG3 PRO 89 2HG PRO 89 2.744 -9.587 3.010 624 HD2 PRO 89 1HD PRO 89 5.282 -10.170 3.750 625 HD3 PRO 89 2HD PRO 89 4.562 -8.565 3.990 626 H PHE 90 H PHE 90 2.658 -11.069 8.539 627 HA PHE 90 HA PHE 90 3.378 -13.840 7.929 628 HB2 PHE 90 1HB PHE 90 3.060 -14.074 10.479 629 HB3 PHE 90 2HB PHE 90 4.453 -13.167 9.900 630 HD1 PHE 90 1HD PHE 90 1.015 -12.794 11.224 631 HD2 PHE 90 2HD PHE 90 4.785 -10.943 10.534 632 HE1 PHE 90 1HE PHE 90 0.308 -10.861 12.573 633 HE2 PHE 90 2HE PHE 90 4.085 -9.008 11.883 634 HZ PHE 90 HZ PHE 90 1.845 -8.965 12.905 635 H GLU 91 H GLU 91 0.975 -12.824 6.822 636 HA GLU 91 HA GLU 91 -0.848 -14.832 7.712 637 HB2 GLU 91 1HB GLU 91 -1.275 -11.987 8.515 638 HB3 GLU 91 2HB GLU 91 -2.674 -12.954 8.071 639 HG2 GLU 91 1HG GLU 91 -1.670 -14.669 9.757 640 HG3 GLU 91 2HG GLU 91 -0.820 -13.256 10.382 641 H LYS 92 H LYS 92 -1.927 -15.510 5.984 642 HA LYS 92 HA LYS 92 -1.761 -14.060 3.511 643 HB2 LYS 92 1HB LYS 92 -3.367 -16.556 4.064 644 HB3 LYS 92 2HB LYS 92 -2.786 -15.981 2.506 645 HG2 LYS 92 1HG LYS 92 -0.505 -16.431 3.141 646 HG3 LYS 92 2HG LYS 92 -1.015 -16.884 4.769 647 HD2 LYS 92 1HD LYS 92 -2.247 -18.317 2.474 648 HD3 LYS 92 2HD LYS 92 -0.570 -18.693 2.879 649 HE2 LYS 92 1HE LYS 92 -2.715 -18.659 4.976 650 HE3 LYS 92 2HE LYS 92 -2.437 -20.083 3.975 651 HZ1 LYS 92 1HZ LYS 92 -1.164 -19.561 6.283 652 HZ2 LYS 92 2HZ LYS 92 -0.050 -18.972 5.155 653 HZ3 LYS 92 3HZ LYS 92 -0.568 -20.580 5.070 654 H GLY 93 H GLY 93 -3.071 -12.419 3.055 655 HA2 GLY 93 1HA GLY 93 -5.791 -12.565 2.727 656 HA3 GLY 93 2HA GLY 93 -5.578 -12.038 4.390 657 H LEU 94 H LEU 94 -6.912 -10.310 2.986 658 HA LEU 94 HA LEU 94 -5.141 -8.411 1.682 659 HB2 LEU 94 1HB LEU 94 -7.183 -8.622 0.575 660 HB3 LEU 94 2HB LEU 94 -8.103 -8.604 2.078 661 HG LEU 94 HG LEU 94 -7.516 -6.188 2.322 662 HD11 LEU 94 1HD1 LEU 94 -6.686 -6.296 -0.559 663 HD12 LEU 94 2HD1 LEU 94 -5.514 -6.419 0.753 664 HD13 LEU 94 3HD1 LEU 94 -6.512 -4.974 0.595 665 HD21 LEU 94 1HD2 LEU 94 -9.647 -7.087 1.302 666 HD22 LEU 94 2HD2 LEU 94 -8.927 -6.757 -0.274 667 HD23 LEU 94 3HD2 LEU 94 -9.213 -5.436 0.860 668 H HIS 95 H HIS 95 -4.070 -6.942 2.811 669 HA HIS 95 HA HIS 95 -5.118 -6.110 5.425 670 HB2 HIS 95 1HB HIS 95 -2.384 -5.327 4.553 671 HB3 HIS 95 2HB HIS 95 -2.963 -5.808 6.145 672 HD2 HIS 95 2HD HIS 95 -0.455 -7.152 4.017 673 HE1 HIS 95 1HE HIS 95 -2.643 -10.635 5.055 674 HE2 HIS 95 2HE HIS 95 -0.459 -9.733 4.182 675 H VAL 96 H VAL 96 -4.911 -3.845 6.034 676 HA VAL 96 HA VAL 96 -5.334 -2.075 3.720 677 HB VAL 96 HB VAL 96 -6.310 -1.775 6.563 678 HG11 VAL 96 1HG1 VAL 96 -7.235 0.272 6.021 679 HG12 VAL 96 2HG1 VAL 96 -5.692 0.329 5.166 680 HG13 VAL 96 3HG1 VAL 96 -7.176 -0.042 4.287 681 HG21 VAL 96 1HG2 VAL 96 -8.420 -2.392 5.835 682 HG22 VAL 96 2HG2 VAL 96 -8.051 -2.050 4.145 683 HG23 VAL 96 3HG2 VAL 96 -7.376 -3.483 4.922 684 H VAL 97 H VAL 97 -3.416 -1.148 3.273 685 HA VAL 97 HA VAL 97 -1.703 -0.218 5.443 686 HB VAL 97 HB VAL 97 -1.262 -0.256 2.455 687 HG11 VAL 97 1HG1 VAL 97 -0.108 1.615 3.645 688 HG12 VAL 97 2HG1 VAL 97 0.743 0.404 4.605 689 HG13 VAL 97 3HG1 VAL 97 0.977 0.470 2.857 690 HG21 VAL 97 1HG2 VAL 97 0.610 -1.882 3.413 691 HG22 VAL 97 2HG2 VAL 97 -0.594 -2.098 4.684 692 HG23 VAL 97 3HG2 VAL 97 -1.010 -2.452 3.007 693 H GLU 98 H GLU 98 -1.767 1.800 6.163 694 HA GLU 98 HA GLU 98 -3.086 3.842 4.514 695 HB2 GLU 98 1HB GLU 98 -2.709 3.529 7.478 696 HB3 GLU 98 2HB GLU 98 -3.084 5.099 6.781 697 HG2 GLU 98 1HG GLU 98 -5.197 4.463 6.135 698 HG3 GLU 98 2HG GLU 98 -4.786 2.749 6.100 699 H VAL 99 H VAL 99 -1.791 5.182 3.462 700 HA VAL 99 HA VAL 99 0.889 5.720 4.546 701 HB VAL 99 HB VAL 99 -0.140 6.137 1.736 702 HG11 VAL 99 1HG1 VAL 99 1.559 7.713 2.033 703 HG12 VAL 99 2HG1 VAL 99 2.522 6.623 3.033 704 HG13 VAL 99 3HG1 VAL 99 2.379 6.335 1.298 705 HG21 VAL 99 1HG2 VAL 99 0.041 3.855 1.840 706 HG22 VAL 99 2HG2 VAL 99 1.693 4.278 1.394 707 HG23 VAL 99 3HG2 VAL 99 1.303 3.900 3.071 708 H THR 100 H THR 100 1.581 7.773 4.944 709 HA THR 100 HA THR 100 -0.181 10.012 4.274 710 HB THR 100 HB THR 100 0.190 10.936 6.609 711 HG1 THR 100 1HG THR 100 0.525 8.294 7.485 712 HG21 THR 100 1HG2 THR 100 -1.673 8.917 5.693 713 HG22 THR 100 2HG2 THR 100 -1.962 10.346 6.686 714 HG23 THR 100 3HG2 THR 100 -1.442 8.839 7.439 715 H TYR 101 H TYR 101 1.017 11.462 3.249 716 HA TYR 101 HA TYR 101 3.886 11.622 3.842 717 HB2 TYR 101 1HB TYR 101 3.144 11.227 1.482 718 HB3 TYR 101 2HB TYR 101 2.391 12.818 1.501 719 HD1 TYR 101 1HD TYR 101 4.083 14.739 2.370 720 HD2 TYR 101 2HD TYR 101 5.222 11.089 0.503 721 HE1 TYR 101 1HE TYR 101 6.213 15.761 1.685 722 HE2 TYR 101 2HE TYR 101 7.355 12.101 -0.186 723 HH TYR 101 HH TYR 101 8.273 14.357 -0.600 724 H ASP 102 H ASP 102 4.398 13.105 5.305 725 HA ASP 102 HA ASP 102 4.559 15.089 6.407 726 HB2 ASP 102 1HB ASP 102 4.821 15.897 3.998 727 HB3 ASP 102 2HB ASP 102 3.128 16.375 4.085 728 H ASP 103 H ASP 103 2.430 13.466 7.088 729 HA ASP 103 HA ASP 103 0.539 13.506 8.356 730 HB2 ASP 103 1HB ASP 103 0.744 16.520 8.230 731 HB3 ASP 103 2HB ASP 103 -0.143 15.565 9.416 732 H VAL 104 H VAL 104 0.519 13.664 5.391 733 HA VAL 104 HA VAL 104 -2.305 14.399 5.107 734 HB VAL 104 HB VAL 104 -0.133 15.230 3.177 735 HG11 VAL 104 1HG1 VAL 104 -1.867 14.757 1.747 736 HG12 VAL 104 2HG1 VAL 104 -3.105 15.128 2.949 737 HG13 VAL 104 3HG1 VAL 104 -2.224 16.435 2.156 738 HG21 VAL 104 1HG2 VAL 104 -2.047 16.956 4.738 739 HG22 VAL 104 2HG2 VAL 104 -0.399 16.603 5.256 740 HG23 VAL 104 3HG2 VAL 104 -0.682 17.481 3.753 741 HA PRO 105 HA PRO 105 -2.191 10.291 3.364 742 HB2 PRO 105 1HB PRO 105 -4.862 10.125 2.908 743 HB3 PRO 105 2HB PRO 105 -4.147 9.915 4.511 744 HG2 PRO 105 1HG PRO 105 -5.460 12.329 3.325 745 HG3 PRO 105 2HG PRO 105 -5.630 11.650 4.954 746 HD2 PRO 105 1HD PRO 105 -4.053 13.786 4.423 747 HD3 PRO 105 2HD PRO 105 -3.668 12.607 5.694 748 H ILE 106 H ILE 106 -2.473 9.349 1.317 749 HA ILE 106 HA ILE 106 -2.618 11.287 -0.866 750 HB ILE 106 HB ILE 106 -1.905 9.193 -2.224 751 HG12 ILE 106 1HG1 ILE 106 -1.071 8.327 0.552 752 HG13 ILE 106 2HG1 ILE 106 -2.404 7.613 -0.350 753 HG21 ILE 106 1HG2 ILE 106 -0.280 10.844 -0.355 754 HG22 ILE 106 2HG2 ILE 106 0.506 9.528 -1.226 755 HG23 ILE 106 3HG2 ILE 106 -0.297 10.820 -2.118 756 HD11 ILE 106 1HD1 ILE 106 -0.617 7.183 -2.168 757 HD12 ILE 106 2HD1 ILE 106 0.530 7.427 -0.850 758 HD13 ILE 106 3HD1 ILE 106 -0.676 6.145 -0.744 759 HA PRO 107 HA PRO 107 -6.547 10.027 -2.361 760 HB2 PRO 107 1HB PRO 107 -6.191 10.176 -5.049 761 HB3 PRO 107 2HB PRO 107 -6.304 11.605 -4.014 762 HG2 PRO 107 1HG PRO 107 -3.872 10.257 -5.124 763 HG3 PRO 107 2HG PRO 107 -4.239 11.989 -5.011 764 HD2 PRO 107 1HD PRO 107 -2.609 10.727 -3.255 765 HD3 PRO 107 2HD PRO 107 -3.634 12.100 -2.789 766 H ASN 108 H ASN 108 -3.927 8.057 -2.540 767 HA ASN 108 HA ASN 108 -5.288 5.986 -4.117 768 HB2 ASN 108 1HB ASN 108 -2.447 5.885 -3.106 769 HB3 ASN 108 2HB ASN 108 -3.177 4.919 -4.385 770 HD21 ASN 108 1HD2 ASN 108 -4.254 6.468 -6.108 771 HD22 ASN 108 2HD2 ASN 108 -3.185 7.684 -6.712 772 H SER 109 H SER 109 -4.221 6.819 -0.926 773 HA SER 109 HA SER 109 -4.605 4.135 0.110 774 HB2 SER 109 1HB SER 109 -3.722 6.749 1.302 775 HB3 SER 109 2HB SER 109 -4.189 5.405 2.343 776 HG SER 109 HG SER 109 -2.457 4.313 1.744 777 HA PRO 110 HA PRO 110 -4.936 3.575 2.449 778 HB2 PRO 110 1HB PRO 110 -6.610 1.529 3.068 779 HB3 PRO 110 2HB PRO 110 -6.436 2.968 4.080 780 HG2 PRO 110 1HG PRO 110 -8.555 2.310 2.071 781 HG3 PRO 110 2HG PRO 110 -8.727 3.025 3.684 782 HD2 PRO 110 1HD PRO 110 -8.792 4.508 1.420 783 HD3 PRO 110 2HD PRO 110 -8.145 5.131 2.951 784 H PHE 111 H PHE 111 -4.003 1.570 1.822 785 HA PHE 111 HA PHE 111 -4.623 0.842 -0.938 786 HB2 PHE 111 1HB PHE 111 -2.233 0.405 0.838 787 HB3 PHE 111 2HB PHE 111 -2.425 -0.479 -0.673 788 HD1 PHE 111 1HD PHE 111 -2.969 1.046 -2.761 789 HD2 PHE 111 2HD PHE 111 -1.062 2.376 0.804 790 HE1 PHE 111 1HE PHE 111 -1.991 2.938 -3.994 791 HE2 PHE 111 2HE PHE 111 -0.082 4.271 -0.422 792 HZ PHE 111 HZ PHE 111 -0.547 4.554 -2.824 793 H LYS 112 H LYS 112 -4.350 -1.521 -1.500 794 HA LYS 112 HA LYS 112 -5.331 -3.290 0.627 795 HB2 LYS 112 1HB LYS 112 -6.649 -2.664 -1.979 796 HB3 LYS 112 2HB LYS 112 -6.771 -4.301 -1.349 797 HG2 LYS 112 1HG LYS 112 -8.007 -3.643 0.491 798 HG3 LYS 112 2HG LYS 112 -7.452 -1.971 0.392 799 HD2 LYS 112 1HD LYS 112 -8.737 -1.729 -1.721 800 HD3 LYS 112 2HD LYS 112 -9.369 -3.359 -1.480 801 HE2 LYS 112 1HE LYS 112 -9.656 -1.236 0.621 802 HE3 LYS 112 2HE LYS 112 -10.804 -1.371 -0.710 803 HZ1 LYS 112 1HZ LYS 112 -10.469 -3.053 1.616 804 HZ2 LYS 112 2HZ LYS 112 -10.676 -3.902 0.168 805 HZ3 LYS 112 3HZ LYS 112 -11.841 -2.781 0.664 806 H VAL 113 H VAL 113 -3.746 -4.738 0.816 807 HA VAL 113 HA VAL 113 -2.475 -5.773 -1.627 808 HB VAL 113 HB VAL 113 -1.510 -5.868 1.234 809 HG11 VAL 113 1HG1 VAL 113 -0.853 -7.530 -0.968 810 HG12 VAL 113 2HG1 VAL 113 0.530 -6.484 -0.644 811 HG13 VAL 113 3HG1 VAL 113 -0.129 -7.500 0.639 812 HG21 VAL 113 1HG2 VAL 113 -0.644 -4.250 -1.154 813 HG22 VAL 113 2HG2 VAL 113 -1.285 -3.653 0.376 814 HG23 VAL 113 3HG2 VAL 113 0.310 -4.403 0.321 815 H ALA 114 H ALA 114 -3.759 -7.434 -2.268 816 HA ALA 114 HA ALA 114 -4.787 -9.352 -0.358 817 HB1 ALA 114 1HB ALA 114 -5.674 -10.467 -2.449 818 HB2 ALA 114 2HB ALA 114 -6.268 -8.839 -2.122 819 HB3 ALA 114 3HB ALA 114 -5.023 -9.094 -3.345 820 H VAL 115 H VAL 115 -3.035 -10.429 0.503 821 HA VAL 115 HA VAL 115 -0.933 -11.514 -1.094 822 HB VAL 115 HB VAL 115 -1.746 -12.131 1.750 823 HG11 VAL 115 1HG1 VAL 115 0.290 -13.293 2.027 824 HG12 VAL 115 2HG1 VAL 115 -0.426 -13.926 0.543 825 HG13 VAL 115 3HG1 VAL 115 0.896 -12.761 0.459 826 HG21 VAL 115 1HG2 VAL 115 0.277 -10.257 0.547 827 HG22 VAL 115 2HG2 VAL 115 -1.073 -9.865 1.612 828 HG23 VAL 115 3HG2 VAL 115 0.316 -10.752 2.240 829 H THR 116 H THR 116 -0.577 -13.610 -1.753 830 HA THR 116 HA THR 116 -2.777 -15.525 -1.373 831 HB THR 116 HB THR 116 -3.044 -14.573 -3.602 832 HG1 THR 116 1HG THR 116 -3.317 -16.509 -4.524 833 HG21 THR 116 1HG2 THR 116 -0.725 -13.859 -3.970 834 HG22 THR 116 2HG2 THR 116 -1.316 -14.841 -5.311 835 HG23 THR 116 3HG2 THR 116 -0.230 -15.545 -4.113 836 H GLU 117 H GLU 117 -2.196 -17.722 -1.411 837 HA GLU 117 HA GLU 117 0.170 -18.428 -0.190 838 HB2 GLU 117 1HB GLU 117 -1.907 -19.915 -1.712 839 HB3 GLU 117 2HB GLU 117 -0.388 -20.745 -1.402 840 HG2 GLU 117 1HG GLU 117 -1.731 -19.392 0.872 841 HG3 GLU 117 2HG GLU 117 -2.425 -20.893 0.262 842 H GLY 118 H GLY 118 2.176 -18.131 -0.899 843 HA2 GLY 118 1HA GLY 118 2.757 -18.802 -3.718 844 HA3 GLY 118 2HA GLY 118 3.481 -17.414 -2.920 845 H CYS 119 H CYS 119 5.447 -17.692 -2.109 846 HA CYS 119 HA CYS 119 6.339 -20.446 -1.559 847 HB2 CYS 119 1HB CYS 119 8.622 -19.664 -2.091 848 HB3 CYS 119 2HB CYS 119 7.525 -19.482 -3.453 849 HG CYS 119 HG CYS 119 9.141 -17.131 -1.676 850 H GLN 120 H GLN 120 8.130 -20.579 0.067 851 HA GLN 120 HA GLN 120 8.120 -18.460 2.067 852 HB2 GLN 120 1HB GLN 120 7.340 -21.306 2.726 853 HB3 GLN 120 2HB GLN 120 7.579 -20.011 3.892 854 HG2 GLN 120 1HG GLN 120 5.656 -18.881 3.213 855 HG3 GLN 120 2HG GLN 120 5.561 -19.772 1.694 856 HE21 GLN 120 1HE2 GLN 120 4.405 -21.602 1.611 857 HE22 GLN 120 2HE2 GLN 120 3.616 -22.332 2.963 858 HA PRO 121 HA PRO 121 12.367 -19.623 2.272 859 HB2 PRO 121 1HB PRO 121 13.012 -18.346 4.579 860 HB3 PRO 121 2HB PRO 121 12.748 -17.496 3.052 861 HG2 PRO 121 1HG PRO 121 10.879 -17.868 5.361 862 HG3 PRO 121 2HG PRO 121 11.187 -16.414 4.394 863 HD2 PRO 121 1HD PRO 121 9.026 -17.995 3.999 864 HD3 PRO 121 2HD PRO 121 9.817 -17.112 2.677 865 H SER 122 H SER 122 13.641 -21.158 3.229 866 HA SER 122 HA SER 122 12.333 -22.928 5.114 867 HB2 SER 122 1HB SER 122 14.163 -24.458 4.667 868 HB3 SER 122 2HB SER 122 13.575 -23.806 3.138 869 HG SER 122 HG SER 122 15.766 -22.684 4.534 870 H SER 123 H SER 123 13.353 -23.678 7.065 871 HA SER 123 HA SER 123 15.190 -21.701 8.250 872 HB2 SER 123 1HB SER 123 12.711 -21.780 9.065 873 HB3 SER 123 2HB SER 123 13.218 -23.242 9.911 874 HG SER 123 HG SER 123 15.059 -21.440 10.397 875 H GLY 124 H GLY 124 16.667 -22.487 9.836 876 HA2 GLY 124 1HA GLY 124 16.888 -25.282 10.410 877 HA3 GLY 124 2HA GLY 124 18.049 -24.772 9.194 878 HA PRO 125 HA PRO 125 19.333 -23.733 13.707 879 HB2 PRO 125 1HB PRO 125 20.765 -25.952 14.336 880 HB3 PRO 125 2HB PRO 125 19.046 -25.781 14.707 881 HG2 PRO 125 1HG PRO 125 20.360 -27.222 12.435 882 HG3 PRO 125 2HG PRO 125 18.997 -27.735 13.447 883 HD2 PRO 125 1HD PRO 125 18.662 -26.705 10.965 884 HD3 PRO 125 2HD PRO 125 17.479 -26.464 12.267 885 H SER 126 H SER 126 21.040 -22.427 13.620 886 HA SER 126 HA SER 126 23.236 -23.075 11.785 887 HB2 SER 126 1HB SER 126 22.541 -20.448 13.122 888 HB3 SER 126 2HB SER 126 23.835 -20.695 11.949 889 HG SER 126 HG SER 126 21.215 -21.435 11.276 890 H SER 127 H SER 127 25.439 -22.649 12.466 891 HA SER 127 HA SER 127 26.099 -23.893 14.881 892 HB2 SER 127 1HB SER 127 28.411 -23.001 14.442 893 HB3 SER 127 2HB SER 127 27.695 -23.865 13.082 894 HG SER 127 HG SER 127 27.864 -21.053 13.426 895 H GLY 128 H GLY 128 25.855 -20.469 14.037 896 HA2 GLY 128 1HA GLY 128 25.775 -19.850 16.907 897 HA3 GLY 128 2HA GLY 128 26.924 -18.988 15.894 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -4.902 -2.692 24.304 2 HA2 GLY 1 1HA GLY 1 -5.968 -1.046 26.404 3 HA3 GLY 1 2HA GLY 1 -5.268 -2.541 27.007 4 H SER 2 H SER 2 -4.205 -0.503 24.307 5 HA SER 2 HA SER 2 -1.927 0.456 25.821 6 HB2 SER 2 1HB SER 2 -0.237 -0.489 24.388 7 HB3 SER 2 2HB SER 2 -1.256 -1.810 24.961 8 HG SER 2 HG SER 2 -1.437 -0.519 22.438 9 H SER 3 H SER 3 -1.453 2.465 25.216 10 HA SER 3 HA SER 3 -2.153 3.328 22.493 11 HB2 SER 3 1HB SER 3 -3.851 4.065 24.229 12 HB3 SER 3 2HB SER 3 -2.575 5.053 24.938 13 HG SER 3 HG SER 3 -2.420 6.163 22.965 14 H GLY 4 H GLY 4 0.389 2.523 23.272 15 HA2 GLY 4 1HA GLY 4 2.583 3.208 23.335 16 HA3 GLY 4 2HA GLY 4 2.014 4.558 22.363 17 H SER 5 H SER 5 3.356 6.082 23.280 18 HA SER 5 HA SER 5 2.420 7.346 25.633 19 HB2 SER 5 1HB SER 5 3.549 5.607 26.847 20 HB3 SER 5 2HB SER 5 4.998 5.782 25.858 21 HG SER 5 HG SER 5 5.307 7.831 26.766 22 H SER 6 H SER 6 2.961 9.445 25.570 23 HA SER 6 HA SER 6 5.383 10.286 24.178 24 HB2 SER 6 1HB SER 6 3.573 10.248 22.468 25 HB3 SER 6 2HB SER 6 2.658 11.388 23.454 26 HG SER 6 HG SER 6 3.931 12.957 22.830 27 H GLY 7 H GLY 7 5.899 12.567 24.542 28 HA2 GLY 7 1HA GLY 7 4.553 13.697 26.909 29 HA3 GLY 7 2HA GLY 7 6.303 13.541 26.873 30 H HIS 8 H HIS 8 3.666 14.878 24.880 31 HA HIS 8 HA HIS 8 4.937 17.458 24.830 32 HB2 HIS 8 1HB HIS 8 6.019 15.946 22.995 33 HB3 HIS 8 2HB HIS 8 4.512 16.226 22.128 34 HD1 HIS 8 1HD HIS 8 5.786 17.563 20.304 35 HD2 HIS 8 2HD HIS 8 6.015 19.209 24.112 36 HE1 HIS 8 1HE HIS 8 6.677 19.892 19.977 37 H PHE 9 H PHE 9 3.413 18.979 24.765 38 HA PHE 9 HA PHE 9 0.745 18.218 23.774 39 HB2 PHE 9 1HB PHE 9 -0.183 19.833 25.376 40 HB3 PHE 9 2HB PHE 9 0.774 18.603 26.194 41 HD1 PHE 9 1HD PHE 9 3.086 19.171 26.963 42 HD2 PHE 9 2HD PHE 9 0.355 22.113 25.549 43 HE1 PHE 9 1HE PHE 9 4.425 20.929 28.045 44 HE2 PHE 9 2HE PHE 9 1.689 23.876 26.628 45 HZ PHE 9 HZ PHE 9 3.728 23.285 27.877 46 HA PRO 10 HA PRO 10 2.233 21.543 20.955 47 HB2 PRO 10 1HB PRO 10 1.045 20.496 18.750 48 HB3 PRO 10 2HB PRO 10 2.640 19.986 19.314 49 HG2 PRO 10 1HG PRO 10 -0.020 18.673 19.717 50 HG3 PRO 10 2HG PRO 10 1.540 17.938 19.305 51 HD2 PRO 10 1HD PRO 10 0.537 17.913 21.820 52 HD3 PRO 10 2HD PRO 10 2.279 17.981 21.488 53 H ALA 11 H ALA 11 0.841 22.800 19.305 54 HA ALA 11 HA ALA 11 -1.437 23.805 20.683 55 HB1 ALA 11 1HB ALA 11 -0.154 24.405 18.046 56 HB2 ALA 11 2HB ALA 11 -1.710 25.118 18.475 57 HB3 ALA 11 3HB ALA 11 -0.293 25.425 19.479 58 H ARG 12 H ARG 12 -3.511 23.240 20.529 59 HA ARG 12 HA ARG 12 -4.262 21.080 18.762 60 HB2 ARG 12 1HB ARG 12 -5.537 22.504 21.057 61 HB3 ARG 12 2HB ARG 12 -6.566 21.612 19.944 62 HG2 ARG 12 1HG ARG 12 -4.921 19.661 20.360 63 HG3 ARG 12 2HG ARG 12 -4.446 20.591 21.783 64 HD2 ARG 12 1HD ARG 12 -6.587 20.450 22.727 65 HD3 ARG 12 2HD ARG 12 -7.323 19.971 21.198 66 HE ARG 12 HE ARG 12 -5.488 18.001 21.881 67 HH11 ARG 12 1HH1 ARG 12 -8.445 19.346 23.132 68 HH12 ARG 12 2HH1 ARG 12 -8.945 17.873 23.894 69 HH21 ARG 12 1HH2 ARG 12 -6.136 16.056 22.880 70 HH22 ARG 12 2HH2 ARG 12 -7.631 16.002 23.751 71 H VAL 13 H VAL 13 -3.573 23.237 17.238 72 HA VAL 13 HA VAL 13 -6.167 24.255 16.273 73 HB VAL 13 HB VAL 13 -3.439 25.524 15.991 74 HG11 VAL 13 1HG1 VAL 13 -4.958 25.836 14.033 75 HG12 VAL 13 2HG1 VAL 13 -6.107 26.621 15.119 76 HG13 VAL 13 3HG1 VAL 13 -4.515 27.332 14.855 77 HG21 VAL 13 1HG2 VAL 13 -5.701 26.877 17.347 78 HG22 VAL 13 2HG2 VAL 13 -4.909 25.561 18.213 79 HG23 VAL 13 3HG2 VAL 13 -3.971 26.955 17.678 80 H LYS 14 H LYS 14 -6.727 23.903 14.196 81 HA LYS 14 HA LYS 14 -4.992 22.166 12.624 82 HB2 LYS 14 1HB LYS 14 -6.935 21.715 11.269 83 HB3 LYS 14 2HB LYS 14 -7.385 21.581 12.964 84 HG2 LYS 14 1HG LYS 14 -8.157 24.029 12.722 85 HG3 LYS 14 2HG LYS 14 -8.100 23.708 10.987 86 HD2 LYS 14 1HD LYS 14 -9.579 21.729 11.392 87 HD3 LYS 14 2HD LYS 14 -9.746 22.269 13.065 88 HE2 LYS 14 1HE LYS 14 -10.433 23.970 10.674 89 HE3 LYS 14 2HE LYS 14 -11.603 22.968 11.531 90 HZ1 LYS 14 1HZ LYS 14 -10.236 25.407 12.432 91 HZ2 LYS 14 2HZ LYS 14 -10.723 24.267 13.583 92 HZ3 LYS 14 3HZ LYS 14 -11.868 24.981 12.562 93 H VAL 15 H VAL 15 -4.036 22.727 10.743 94 HA VAL 15 HA VAL 15 -4.637 25.383 9.625 95 HB VAL 15 HB VAL 15 -1.878 24.211 10.003 96 HG11 VAL 15 1HG1 VAL 15 -2.516 25.676 7.905 97 HG12 VAL 15 2HG1 VAL 15 -2.350 26.995 9.067 98 HG13 VAL 15 3HG1 VAL 15 -0.991 25.913 8.759 99 HG21 VAL 15 1HG2 VAL 15 -3.348 25.437 11.898 100 HG22 VAL 15 2HG2 VAL 15 -1.590 25.544 11.804 101 HG23 VAL 15 3HG2 VAL 15 -2.589 26.837 11.140 102 H GLU 16 H GLU 16 -5.024 25.373 7.507 103 HA GLU 16 HA GLU 16 -5.471 23.251 5.930 104 HB2 GLU 16 1HB GLU 16 -4.214 25.849 5.032 105 HB3 GLU 16 2HB GLU 16 -4.967 24.679 3.959 106 HG2 GLU 16 1HG GLU 16 -7.100 25.119 4.769 107 HG3 GLU 16 2HG GLU 16 -6.488 25.869 6.243 108 HA PRO 17 HA PRO 17 -1.747 21.118 5.012 109 HB2 PRO 17 1HB PRO 17 -2.283 20.197 2.515 110 HB3 PRO 17 2HB PRO 17 -3.053 19.544 3.965 111 HG2 PRO 17 1HG PRO 17 -4.106 21.537 1.996 112 HG3 PRO 17 2HG PRO 17 -4.936 20.164 2.750 113 HD2 PRO 17 1HD PRO 17 -5.254 22.711 3.613 114 HD3 PRO 17 2HD PRO 17 -5.330 21.316 4.708 115 H ALA 18 H ALA 18 0.215 21.346 3.974 116 HA ALA 18 HA ALA 18 0.430 23.638 2.134 117 HB1 ALA 18 1HB ALA 18 2.582 22.570 3.953 118 HB2 ALA 18 2HB ALA 18 2.636 24.043 2.985 119 HB3 ALA 18 3HB ALA 18 1.524 23.924 4.348 120 H VAL 19 H VAL 19 0.160 20.520 1.860 121 HA VAL 19 HA VAL 19 2.239 20.300 -0.215 122 HB VAL 19 HB VAL 19 2.757 18.899 1.804 123 HG11 VAL 19 1HG1 VAL 19 1.076 17.789 2.749 124 HG12 VAL 19 2HG1 VAL 19 0.030 18.063 1.355 125 HG13 VAL 19 3HG1 VAL 19 1.128 16.683 1.377 126 HG21 VAL 19 1HG2 VAL 19 3.226 16.841 0.485 127 HG22 VAL 19 2HG2 VAL 19 2.254 17.511 -0.825 128 HG23 VAL 19 3HG2 VAL 19 3.730 18.329 -0.316 129 H ASP 20 H ASP 20 1.705 18.947 -2.014 130 HA ASP 20 HA ASP 20 -1.077 19.129 -2.738 131 HB2 ASP 20 1HB ASP 20 1.056 19.448 -4.233 132 HB3 ASP 20 2HB ASP 20 0.959 17.697 -4.406 133 H THR 21 H THR 21 1.256 16.429 -2.645 134 HA THR 21 HA THR 21 0.922 14.166 -2.538 135 HB THR 21 HB THR 21 -0.896 13.641 -0.659 136 HG1 THR 21 1HG THR 21 -0.205 16.376 -0.234 137 HG21 THR 21 1HG2 THR 21 1.034 13.092 0.312 138 HG22 THR 21 2HG2 THR 21 1.206 14.770 0.827 139 HG23 THR 21 3HG2 THR 21 1.914 14.239 -0.698 140 H SER 22 H SER 22 -0.371 15.035 -4.720 141 HA SER 22 HA SER 22 -2.811 13.401 -4.717 142 HB2 SER 22 1HB SER 22 -3.102 16.035 -4.709 143 HB3 SER 22 2HB SER 22 -2.745 15.852 -6.426 144 HG SER 22 HG SER 22 -4.661 15.045 -6.711 145 H ARG 23 H ARG 23 0.193 13.762 -5.875 146 HA ARG 23 HA ARG 23 -0.481 12.409 -8.397 147 HB2 ARG 23 1HB ARG 23 1.701 14.476 -8.061 148 HB3 ARG 23 2HB ARG 23 1.334 13.587 -9.533 149 HG2 ARG 23 1HG ARG 23 -0.659 14.746 -9.880 150 HG3 ARG 23 2HG ARG 23 -0.720 15.321 -8.213 151 HD2 ARG 23 1HD ARG 23 1.066 16.841 -8.583 152 HD3 ARG 23 2HD ARG 23 1.444 16.117 -10.146 153 HE ARG 23 HE ARG 23 -0.214 17.381 -11.096 154 HH11 ARG 23 1HH1 ARG 23 -0.585 17.414 -7.634 155 HH12 ARG 23 2HH1 ARG 23 -1.820 18.629 -7.648 156 HH21 ARG 23 1HH2 ARG 23 -1.838 18.981 -11.126 157 HH22 ARG 23 2HH2 ARG 23 -2.532 19.520 -9.635 158 H ILE 24 H ILE 24 0.331 11.409 -5.759 159 HA ILE 24 HA ILE 24 3.072 10.548 -6.037 160 HB ILE 24 HB ILE 24 0.931 9.836 -4.034 161 HG12 ILE 24 1HG1 ILE 24 3.366 11.614 -3.989 162 HG13 ILE 24 2HG1 ILE 24 1.691 12.056 -3.675 163 HG21 ILE 24 1HG2 ILE 24 3.238 8.352 -4.699 164 HG22 ILE 24 2HG2 ILE 24 3.548 9.131 -3.148 165 HG23 ILE 24 3HG2 ILE 24 2.131 8.101 -3.350 166 HD11 ILE 24 1HD1 ILE 24 3.698 11.268 -1.837 167 HD12 ILE 24 2HD1 ILE 24 2.034 11.758 -1.516 168 HD13 ILE 24 3HD1 ILE 24 2.413 10.061 -1.808 169 H LYS 25 H LYS 25 3.674 8.913 -7.277 170 HA LYS 25 HA LYS 25 1.709 6.842 -7.964 171 HB2 LYS 25 1HB LYS 25 4.068 8.011 -9.346 172 HB3 LYS 25 2HB LYS 25 3.726 6.311 -9.641 173 HG2 LYS 25 1HG LYS 25 1.550 8.339 -9.904 174 HG3 LYS 25 2HG LYS 25 2.724 8.118 -11.203 175 HD2 LYS 25 1HD LYS 25 1.312 5.756 -10.025 176 HD3 LYS 25 2HD LYS 25 0.510 6.759 -11.236 177 HE2 LYS 25 1HE LYS 25 3.244 5.570 -11.645 178 HE3 LYS 25 2HE LYS 25 1.761 4.734 -12.101 179 HZ1 LYS 25 1HZ LYS 25 1.259 6.351 -13.691 180 HZ2 LYS 25 2HZ LYS 25 2.918 6.086 -13.883 181 HZ3 LYS 25 3HZ LYS 25 2.372 7.462 -13.066 182 H VAL 26 H VAL 26 1.928 4.816 -7.253 183 HA VAL 26 HA VAL 26 4.485 4.059 -5.993 184 HB VAL 26 HB VAL 26 3.300 2.720 -4.390 185 HG11 VAL 26 1HG1 VAL 26 1.584 5.082 -4.154 186 HG12 VAL 26 2HG1 VAL 26 2.797 4.443 -3.043 187 HG13 VAL 26 3HG1 VAL 26 3.291 5.444 -4.409 188 HG21 VAL 26 1HG2 VAL 26 0.628 3.259 -4.557 189 HG22 VAL 26 2HG2 VAL 26 1.076 3.096 -6.255 190 HG23 VAL 26 3HG2 VAL 26 1.402 1.780 -5.128 191 H PHE 27 H PHE 27 5.461 2.303 -6.769 192 HA PHE 27 HA PHE 27 3.873 0.340 -8.269 193 HB2 PHE 27 1HB PHE 27 5.881 0.160 -9.841 194 HB3 PHE 27 2HB PHE 27 4.865 1.587 -10.013 195 HD1 PHE 27 1HD PHE 27 5.658 3.774 -9.281 196 HD2 PHE 27 2HD PHE 27 8.138 0.322 -9.055 197 HE1 PHE 27 1HE PHE 27 7.631 5.215 -8.992 198 HE2 PHE 27 2HE PHE 27 10.115 1.758 -8.765 199 HZ PHE 27 HZ PHE 27 9.863 4.207 -8.732 200 H GLY 28 H GLY 28 4.359 -1.749 -7.865 201 HA2 GLY 28 1HA GLY 28 6.537 -3.129 -7.360 202 HA3 GLY 28 2HA GLY 28 6.417 -2.250 -5.843 203 HA PRO 29 HA PRO 29 3.776 -6.218 -5.940 204 HB2 PRO 29 1HB PRO 29 5.388 -7.816 -4.451 205 HB3 PRO 29 2HB PRO 29 5.477 -7.738 -6.214 206 HG2 PRO 29 1HG PRO 29 7.193 -6.384 -4.170 207 HG3 PRO 29 2HG PRO 29 7.672 -7.193 -5.673 208 HD2 PRO 29 1HD PRO 29 7.467 -4.500 -5.469 209 HD3 PRO 29 2HD PRO 29 7.120 -5.373 -6.976 210 H GLY 30 H GLY 30 5.817 -4.799 -3.410 211 HA2 GLY 30 1HA GLY 30 4.437 -5.691 -1.163 212 HA3 GLY 30 2HA GLY 30 5.344 -4.188 -1.249 213 H ILE 31 H ILE 31 3.469 -3.384 -3.528 214 HA ILE 31 HA ILE 31 1.236 -2.544 -1.798 215 HB ILE 31 HB ILE 31 2.772 -0.714 -2.555 216 HG12 ILE 31 1HG1 ILE 31 0.941 0.798 -3.271 217 HG13 ILE 31 2HG1 ILE 31 -0.088 -0.604 -3.539 218 HG21 ILE 31 1HG2 ILE 31 2.368 0.024 -4.967 219 HG22 ILE 31 2HG2 ILE 31 3.439 -1.352 -4.706 220 HG23 ILE 31 3HG2 ILE 31 1.779 -1.616 -5.239 221 HD11 ILE 31 1HD1 ILE 31 0.992 -0.688 -0.892 222 HD12 ILE 31 2HD1 ILE 31 0.224 0.872 -1.187 223 HD13 ILE 31 3HD1 ILE 31 -0.690 -0.618 -1.415 224 H GLU 32 H GLU 32 2.146 -4.130 -4.698 225 HA GLU 32 HA GLU 32 -0.485 -3.912 -5.908 226 HB2 GLU 32 1HB GLU 32 2.030 -5.358 -6.746 227 HB3 GLU 32 2HB GLU 32 0.526 -5.423 -7.654 228 HG2 GLU 32 1HG GLU 32 1.687 -2.767 -6.981 229 HG3 GLU 32 2HG GLU 32 2.412 -3.719 -8.276 230 H GLY 33 H GLY 33 1.605 -6.513 -4.655 231 HA2 GLY 33 1HA GLY 33 0.668 -8.189 -3.180 232 HA3 GLY 33 2HA GLY 33 -0.846 -8.041 -4.059 233 H LYS 34 H LYS 34 2.420 -8.354 -5.382 234 HA LYS 34 HA LYS 34 1.517 -10.641 -6.947 235 HB2 LYS 34 1HB LYS 34 4.225 -9.329 -7.093 236 HB3 LYS 34 2HB LYS 34 3.418 -10.293 -8.323 237 HG2 LYS 34 1HG LYS 34 2.644 -7.532 -7.407 238 HG3 LYS 34 2HG LYS 34 3.376 -7.973 -8.952 239 HD2 LYS 34 1HD LYS 34 1.272 -9.539 -9.132 240 HD3 LYS 34 2HD LYS 34 0.589 -8.395 -7.975 241 HE2 LYS 34 1HE LYS 34 0.951 -6.565 -9.480 242 HE3 LYS 34 2HE LYS 34 1.853 -7.594 -10.591 243 HZ1 LYS 34 1HZ LYS 34 -0.084 -7.860 -11.625 244 HZ2 LYS 34 2HZ LYS 34 -0.979 -7.233 -10.335 245 HZ3 LYS 34 3HZ LYS 34 -0.533 -8.865 -10.340 246 H ASP 35 H ASP 35 4.627 -9.943 -5.358 247 HA ASP 35 HA ASP 35 4.760 -12.768 -4.564 248 HB2 ASP 35 1HB ASP 35 6.641 -12.068 -5.906 249 HB3 ASP 35 2HB ASP 35 6.925 -10.679 -4.861 250 H VAL 36 H VAL 36 3.168 -10.828 -3.123 251 HA VAL 36 HA VAL 36 4.646 -10.237 -0.697 252 HB VAL 36 HB VAL 36 1.679 -9.896 -1.062 253 HG11 VAL 36 1HG1 VAL 36 3.657 -9.159 0.928 254 HG12 VAL 36 2HG1 VAL 36 2.732 -7.768 0.357 255 HG13 VAL 36 3HG1 VAL 36 1.897 -9.167 1.033 256 HG21 VAL 36 1HG2 VAL 36 2.259 -7.547 -1.790 257 HG22 VAL 36 2HG2 VAL 36 3.902 -8.127 -2.059 258 HG23 VAL 36 3HG2 VAL 36 2.563 -8.816 -2.976 259 H PHE 37 H PHE 37 3.729 -13.029 -1.776 260 HA PHE 37 HA PHE 37 1.898 -14.295 -0.259 261 HB2 PHE 37 1HB PHE 37 4.612 -15.553 -0.519 262 HB3 PHE 37 2HB PHE 37 3.026 -16.306 -0.654 263 HD1 PHE 37 1HD PHE 37 1.691 -14.518 -2.568 264 HD2 PHE 37 2HD PHE 37 5.667 -16.039 -2.523 265 HE1 PHE 37 1HE PHE 37 1.797 -14.303 -5.016 266 HE2 PHE 37 2HE PHE 37 5.779 -15.825 -4.972 267 HZ PHE 37 HZ PHE 37 3.844 -14.955 -6.222 268 H ARG 38 H ARG 38 1.890 -15.443 1.738 269 HA ARG 38 HA ARG 38 2.760 -13.999 3.940 270 HB2 ARG 38 1HB ARG 38 1.037 -15.992 3.670 271 HB3 ARG 38 2HB ARG 38 2.412 -16.951 4.200 272 HG2 ARG 38 1HG ARG 38 2.588 -15.417 6.180 273 HG3 ARG 38 2HG ARG 38 1.046 -14.721 5.679 274 HD2 ARG 38 1HD ARG 38 -0.137 -16.608 6.214 275 HD3 ARG 38 2HD ARG 38 1.241 -17.676 5.947 276 HE ARG 38 HE ARG 38 1.491 -15.908 8.218 277 HH11 ARG 38 1HH1 ARG 38 0.454 -19.024 7.063 278 HH12 ARG 38 2HH1 ARG 38 0.551 -19.779 8.620 279 HH21 ARG 38 1HH2 ARG 38 1.621 -16.890 10.273 280 HH22 ARG 38 2HH2 ARG 38 1.214 -18.564 10.445 281 H GLU 39 H GLU 39 4.562 -13.968 5.169 282 HA GLU 39 HA GLU 39 6.694 -14.355 5.864 283 HB2 GLU 39 1HB GLU 39 6.354 -17.088 4.619 284 HB3 GLU 39 2HB GLU 39 7.571 -16.620 5.798 285 HG2 GLU 39 1HG GLU 39 5.967 -16.403 7.514 286 HG3 GLU 39 2HG GLU 39 4.628 -16.489 6.371 287 H ALA 40 H ALA 40 6.230 -13.111 3.356 288 HA ALA 40 HA ALA 40 8.690 -13.890 1.933 289 HB1 ALA 40 1HB ALA 40 6.280 -14.256 0.846 290 HB2 ALA 40 2HB ALA 40 6.543 -12.576 0.378 291 HB3 ALA 40 3HB ALA 40 7.699 -13.817 -0.104 292 H THR 41 H THR 41 10.093 -12.288 1.445 293 HA THR 41 HA THR 41 9.693 -9.724 2.677 294 HB THR 41 HB THR 41 11.972 -10.579 0.885 295 HG1 THR 41 1HG THR 41 11.612 -11.939 2.788 296 HG21 THR 41 1HG2 THR 41 12.790 -8.818 2.930 297 HG22 THR 41 2HG2 THR 41 11.328 -8.129 2.225 298 HG23 THR 41 3HG2 THR 41 12.711 -8.501 1.197 299 H THR 42 H THR 42 8.213 -8.467 1.671 300 HA THR 42 HA THR 42 8.681 -7.872 -1.179 301 HB THR 42 HB THR 42 6.536 -9.100 -0.735 302 HG1 THR 42 1HG THR 42 6.994 -7.235 -2.378 303 HG21 THR 42 1HG2 THR 42 6.040 -6.643 0.909 304 HG22 THR 42 2HG2 THR 42 5.735 -8.333 1.310 305 HG23 THR 42 3HG2 THR 42 4.697 -7.500 0.154 306 H ASP 43 H ASP 43 8.524 -5.733 -1.842 307 HA ASP 43 HA ASP 43 7.894 -3.670 0.101 308 HB2 ASP 43 1HB ASP 43 10.023 -2.518 -0.105 309 HB3 ASP 43 2HB ASP 43 10.293 -4.153 0.491 310 H PHE 44 H PHE 44 7.691 -1.554 -0.851 311 HA PHE 44 HA PHE 44 7.383 -1.626 -3.781 312 HB2 PHE 44 1HB PHE 44 5.473 -0.029 -3.467 313 HB3 PHE 44 2HB PHE 44 5.178 -1.642 -2.826 314 HD1 PHE 44 2HD PHE 44 5.397 -2.019 -0.351 315 HD2 PHE 44 1HD PHE 44 5.362 1.864 -2.093 316 HE1 PHE 44 2HE PHE 44 4.838 -1.046 1.838 317 HE2 PHE 44 1HE PHE 44 4.804 2.844 0.094 318 HZ PHE 44 HZ PHE 44 4.540 1.388 2.063 319 H THR 45 H THR 45 7.118 0.754 -4.611 320 HA THR 45 HA THR 45 9.122 2.445 -3.267 321 HB THR 45 HB THR 45 8.840 2.172 -6.263 322 HG1 THR 45 1HG THR 45 9.723 0.279 -5.130 323 HG21 THR 45 1HG2 THR 45 9.703 4.340 -5.415 324 HG22 THR 45 2HG2 THR 45 10.893 3.445 -6.359 325 HG23 THR 45 3HG2 THR 45 11.000 3.469 -4.599 326 H VAL 46 H VAL 46 8.713 4.612 -3.194 327 HA VAL 46 HA VAL 46 6.174 5.514 -4.392 328 HB VAL 46 HB VAL 46 7.413 6.421 -1.789 329 HG11 VAL 46 1HG1 VAL 46 4.692 7.192 -2.772 330 HG12 VAL 46 2HG1 VAL 46 5.700 7.971 -1.551 331 HG13 VAL 46 3HG1 VAL 46 6.117 8.109 -3.259 332 HG21 VAL 46 1HG2 VAL 46 6.447 4.457 -1.163 333 HG22 VAL 46 2HG2 VAL 46 5.028 5.500 -1.065 334 HG23 VAL 46 3HG2 VAL 46 5.277 4.481 -2.482 335 H ASP 47 H ASP 47 6.440 6.984 -5.924 336 HA ASP 47 HA ASP 47 8.853 8.666 -5.870 337 HB2 ASP 47 1HB ASP 47 8.151 7.072 -7.872 338 HB3 ASP 47 2HB ASP 47 7.142 8.450 -8.307 339 H SER 48 H SER 48 8.613 10.732 -5.364 340 HA SER 48 HA SER 48 6.065 12.063 -5.980 341 HB2 SER 48 1HB SER 48 7.595 12.506 -3.410 342 HB3 SER 48 2HB SER 48 6.006 13.140 -3.835 343 HG SER 48 HG SER 48 6.409 11.010 -2.495 344 H ARG 49 H ARG 49 6.293 13.943 -7.006 345 HA ARG 49 HA ARG 49 8.976 14.980 -7.434 346 HB2 ARG 49 1HB ARG 49 6.358 15.212 -8.790 347 HB3 ARG 49 2HB ARG 49 7.388 16.635 -8.868 348 HG2 ARG 49 1HG ARG 49 8.961 15.601 -10.156 349 HG3 ARG 49 2HG ARG 49 8.585 13.997 -9.523 350 HD2 ARG 49 1HD ARG 49 6.846 13.681 -10.974 351 HD3 ARG 49 2HD ARG 49 6.499 15.405 -11.103 352 HE ARG 49 HE ARG 49 8.890 15.201 -12.319 353 HH11 ARG 49 1HH1 ARG 49 5.912 13.432 -12.671 354 HH12 ARG 49 2HH1 ARG 49 6.165 13.085 -14.350 355 HH21 ARG 49 1HH2 ARG 49 9.234 14.750 -14.529 356 HH22 ARG 49 2HH2 ARG 49 8.055 13.835 -15.405 357 HA PRO 50 HA PRO 50 6.967 18.998 -5.742 358 HB2 PRO 50 1HB PRO 50 4.348 18.933 -5.031 359 HB3 PRO 50 2HB PRO 50 4.888 19.304 -6.673 360 HG2 PRO 50 1HG PRO 50 3.863 16.723 -5.554 361 HG3 PRO 50 2HG PRO 50 3.490 17.497 -7.105 362 HD2 PRO 50 1HD PRO 50 5.253 15.454 -6.883 363 HD3 PRO 50 2HD PRO 50 5.431 16.741 -8.092 364 H LEU 51 H LEU 51 7.234 16.097 -4.404 365 HA LEU 51 HA LEU 51 6.648 17.058 -1.680 366 HB2 LEU 51 1HB LEU 51 6.874 14.167 -2.452 367 HB3 LEU 51 2HB LEU 51 6.175 14.860 -0.991 368 HG LEU 51 HG LEU 51 4.994 14.901 -3.765 369 HD11 LEU 51 1HD1 LEU 51 3.430 13.378 -3.001 370 HD12 LEU 51 2HD1 LEU 51 3.747 13.744 -1.306 371 HD13 LEU 51 3HD1 LEU 51 4.917 12.812 -2.240 372 HD21 LEU 51 1HD2 LEU 51 3.465 15.872 -1.426 373 HD22 LEU 51 2HD2 LEU 51 3.412 16.386 -3.112 374 HD23 LEU 51 3HD2 LEU 51 4.716 16.941 -2.061 375 H THR 52 H THR 52 8.813 14.948 -3.556 376 HA THR 52 HA THR 52 11.047 15.860 -1.903 377 HB THR 52 HB THR 52 10.123 13.637 -1.028 378 HG1 THR 52 1HG THR 52 12.836 13.608 -1.894 379 HG21 THR 52 1HG2 THR 52 11.640 12.415 -3.306 380 HG22 THR 52 2HG2 THR 52 9.921 12.775 -3.467 381 HG23 THR 52 3HG2 THR 52 10.476 11.667 -2.213 382 H GLN 53 H GLN 53 12.978 15.993 -2.972 383 HA GLN 53 HA GLN 53 12.947 15.215 -5.814 384 HB2 GLN 53 1HB GLN 53 14.392 17.539 -4.529 385 HB3 GLN 53 2HB GLN 53 14.457 17.111 -6.233 386 HG2 GLN 53 1HG GLN 53 12.890 18.753 -6.303 387 HG3 GLN 53 2HG GLN 53 11.846 17.355 -6.052 388 HE21 GLN 53 1HE2 GLN 53 10.383 17.567 -4.529 389 HE22 GLN 53 2HE2 GLN 53 10.474 18.624 -3.165 390 H VAL 54 H VAL 54 14.777 15.317 -2.836 391 HA VAL 54 HA VAL 54 16.747 13.499 -4.053 392 HB VAL 54 HB VAL 54 18.523 14.480 -2.711 393 HG11 VAL 54 1HG1 VAL 54 18.808 15.641 -4.595 394 HG12 VAL 54 2HG1 VAL 54 17.075 15.920 -4.780 395 HG13 VAL 54 3HG1 VAL 54 18.037 16.987 -3.756 396 HG21 VAL 54 1HG2 VAL 54 17.206 16.927 -1.936 397 HG22 VAL 54 2HG2 VAL 54 16.432 15.528 -1.192 398 HG23 VAL 54 3HG2 VAL 54 18.158 15.807 -0.961 399 H GLY 55 H GLY 55 14.389 12.790 -2.604 400 HA2 GLY 55 1HA GLY 55 13.935 11.080 -1.099 401 HA3 GLY 55 2HA GLY 55 15.614 11.131 -0.580 402 H GLY 56 H GLY 56 13.653 10.805 1.287 403 HA2 GLY 56 1HA GLY 56 14.154 13.009 3.027 404 HA3 GLY 56 2HA GLY 56 12.497 13.028 2.443 405 H ASP 57 H ASP 57 12.558 12.849 5.009 406 HA ASP 57 HA ASP 57 12.108 10.001 5.601 407 HB2 ASP 57 1HB ASP 57 13.127 11.959 7.654 408 HB3 ASP 57 2HB ASP 57 13.081 10.201 7.752 409 H HIS 58 H HIS 58 10.135 11.761 4.696 410 HA HIS 58 HA HIS 58 8.543 12.231 7.130 411 HB2 HIS 58 1HB HIS 58 8.765 13.716 4.556 412 HB3 HIS 58 2HB HIS 58 7.191 13.677 5.347 413 HD1 HIS 58 1HD HIS 58 6.834 15.297 7.213 414 HD2 HIS 58 2HD HIS 58 10.849 14.878 6.232 415 HE1 HIS 58 1HE HIS 58 8.040 17.046 8.558 416 H ILE 59 H ILE 59 8.830 9.698 5.724 417 HA ILE 59 HA ILE 59 6.075 9.349 4.735 418 HB ILE 59 HB ILE 59 8.584 7.821 4.055 419 HG12 ILE 59 1HG1 ILE 59 8.242 9.880 2.788 420 HG13 ILE 59 2HG1 ILE 59 7.996 8.480 1.749 421 HG21 ILE 59 1HG2 ILE 59 5.724 7.054 3.802 422 HG22 ILE 59 2HG2 ILE 59 6.824 6.624 2.494 423 HG23 ILE 59 3HG2 ILE 59 7.138 6.054 4.132 424 HD11 ILE 59 1HD1 ILE 59 6.116 10.562 2.593 425 HD12 ILE 59 2HD1 ILE 59 6.156 9.587 1.124 426 HD13 ILE 59 3HD1 ILE 59 5.474 8.920 2.607 427 H LYS 60 H LYS 60 4.808 7.751 5.584 428 HA LYS 60 HA LYS 60 5.926 5.860 7.487 429 HB2 LYS 60 1HB LYS 60 5.458 7.759 8.917 430 HB3 LYS 60 2HB LYS 60 3.833 7.900 8.258 431 HG2 LYS 60 1HG LYS 60 3.415 6.829 10.235 432 HG3 LYS 60 2HG LYS 60 3.580 5.454 9.140 433 HD2 LYS 60 1HD LYS 60 6.014 6.474 10.519 434 HD3 LYS 60 2HD LYS 60 4.850 5.531 11.453 435 HE2 LYS 60 1HE LYS 60 4.990 3.843 9.514 436 HE3 LYS 60 2HE LYS 60 6.457 4.709 9.057 437 HZ1 LYS 60 1HZ LYS 60 6.795 4.284 11.708 438 HZ2 LYS 60 2HZ LYS 60 7.465 3.338 10.475 439 HZ3 LYS 60 3HZ LYS 60 6.020 2.863 11.215 440 H ALA 61 H ALA 61 4.861 3.960 7.480 441 HA ALA 61 HA ALA 61 2.204 3.868 6.215 442 HB1 ALA 61 1HB ALA 61 3.519 3.048 4.492 443 HB2 ALA 61 2HB ALA 61 4.625 2.224 5.591 444 HB3 ALA 61 3HB ALA 61 3.007 1.578 5.320 445 H HIS 62 H HIS 62 0.873 2.078 6.845 446 HA HIS 62 HA HIS 62 1.738 0.575 9.198 447 HB2 HIS 62 1HB HIS 62 0.612 2.626 10.029 448 HB3 HIS 62 2HB HIS 62 -0.833 2.170 9.131 449 HD1 HIS 62 1HD HIS 62 0.984 1.536 12.278 450 HD2 HIS 62 2HD HIS 62 -2.188 -0.128 10.173 451 HE1 HIS 62 1HE HIS 62 -0.183 0.019 13.909 452 H ILE 63 H ILE 63 1.327 -1.492 8.828 453 HA ILE 63 HA ILE 63 -0.694 -2.236 6.862 454 HB ILE 63 HB ILE 63 1.352 -3.940 8.288 455 HG12 ILE 63 1HG1 ILE 63 1.384 -3.279 5.365 456 HG13 ILE 63 2HG1 ILE 63 2.028 -2.122 6.525 457 HG21 ILE 63 1HG2 ILE 63 0.431 -5.144 5.905 458 HG22 ILE 63 2HG2 ILE 63 0.225 -5.707 7.563 459 HG23 ILE 63 3HG2 ILE 63 -0.989 -4.658 6.830 460 HD11 ILE 63 1HD1 ILE 63 3.211 -4.478 7.284 461 HD12 ILE 63 2HD1 ILE 63 3.169 -4.594 5.524 462 HD13 ILE 63 3HD1 ILE 63 3.947 -3.214 6.299 463 H ALA 64 H ALA 64 -2.446 -3.544 7.283 464 HA ALA 64 HA ALA 64 -2.949 -4.257 10.090 465 HB1 ALA 64 1HB ALA 64 -4.606 -2.795 10.256 466 HB2 ALA 64 2HB ALA 64 -4.320 -2.256 8.601 467 HB3 ALA 64 3HB ALA 64 -5.433 -3.588 8.915 468 H ASN 65 H ASN 65 -3.024 -6.409 10.096 469 HA ASN 65 HA ASN 65 -3.671 -7.993 7.843 470 HB2 ASN 65 1HB ASN 65 -3.422 -8.649 10.781 471 HB3 ASN 65 2HB ASN 65 -3.751 -9.869 9.554 472 HD21 ASN 65 1HD2 ASN 65 -1.560 -10.150 11.077 473 HD22 ASN 65 2HD2 ASN 65 -0.131 -9.829 10.160 474 HA PRO 66 HA PRO 66 -8.056 -8.204 7.969 475 HB2 PRO 66 1HB PRO 66 -8.464 -10.708 7.002 476 HB3 PRO 66 2HB PRO 66 -7.928 -9.362 5.989 477 HG2 PRO 66 1HG PRO 66 -6.316 -11.560 7.228 478 HG3 PRO 66 2HG PRO 66 -6.208 -10.877 5.595 479 HD2 PRO 66 1HD PRO 66 -4.494 -10.193 7.577 480 HD3 PRO 66 2HD PRO 66 -4.981 -9.058 6.301 481 H SER 67 H SER 67 -6.127 -9.898 10.065 482 HA SER 67 HA SER 67 -8.401 -11.245 11.358 483 HB2 SER 67 1HB SER 67 -5.431 -11.741 11.455 484 HB3 SER 67 2HB SER 67 -6.514 -12.399 12.681 485 HG SER 67 HG SER 67 -6.791 -12.813 9.886 486 H GLY 68 H GLY 68 -6.058 -8.730 11.691 487 HA2 GLY 68 1HA GLY 68 -6.940 -7.014 13.354 488 HA3 GLY 68 2HA GLY 68 -6.847 -8.337 14.507 489 H ALA 69 H ALA 69 -4.369 -9.385 13.315 490 HA ALA 69 HA ALA 69 -2.503 -8.109 14.947 491 HB1 ALA 69 1HB ALA 69 -1.655 -10.124 14.441 492 HB2 ALA 69 2HB ALA 69 -2.434 -10.168 12.859 493 HB3 ALA 69 3HB ALA 69 -0.924 -9.282 13.074 494 H SER 70 H SER 70 -0.361 -7.215 14.028 495 HA SER 70 HA SER 70 -0.870 -5.383 11.790 496 HB2 SER 70 1HB SER 70 0.089 -3.514 13.006 497 HB3 SER 70 2HB SER 70 -1.246 -4.184 13.944 498 HG SER 70 HG SER 70 0.807 -5.500 14.772 499 H THR 71 H THR 71 0.706 -5.417 10.334 500 HA THR 71 HA THR 71 3.216 -6.757 11.012 501 HB THR 71 HB THR 71 2.254 -5.903 8.278 502 HG1 THR 71 1HG THR 71 0.894 -7.493 9.424 503 HG21 THR 71 1HG2 THR 71 4.075 -6.928 7.414 504 HG22 THR 71 2HG2 THR 71 4.069 -8.198 8.638 505 HG23 THR 71 3HG2 THR 71 4.757 -6.617 9.010 506 H GLU 72 H GLU 72 4.799 -5.481 11.714 507 HA GLU 72 HA GLU 72 4.974 -2.742 11.552 508 HB2 GLU 72 1HB GLU 72 6.412 -4.438 12.879 509 HB3 GLU 72 2HB GLU 72 7.445 -4.449 11.456 510 HG2 GLU 72 1HG GLU 72 8.486 -2.828 12.642 511 HG3 GLU 72 2HG GLU 72 7.313 -1.830 11.785 512 H CYS 73 H CYS 73 6.267 -1.313 10.282 513 HA CYS 73 HA CYS 73 6.811 -2.311 7.563 514 HB2 CYS 73 1HB CYS 73 5.850 0.466 8.276 515 HB3 CYS 73 2HB CYS 73 6.073 -0.194 6.660 516 HG CYS 73 HG CYS 73 3.606 -0.887 8.900 517 H PHE 74 H PHE 74 8.632 -1.543 6.512 518 HA PHE 74 HA PHE 74 10.473 0.072 8.150 519 HB2 PHE 74 1HB PHE 74 11.525 -1.953 6.218 520 HB3 PHE 74 2HB PHE 74 12.263 -1.322 7.686 521 HD1 PHE 74 2HD PHE 74 10.078 -1.768 9.629 522 HD2 PHE 74 1HD PHE 74 11.582 -4.255 6.519 523 HE1 PHE 74 2HE PHE 74 9.325 -3.760 10.862 524 HE2 PHE 74 1HE PHE 74 10.831 -6.251 7.747 525 HZ PHE 74 HZ PHE 74 9.702 -6.005 9.922 526 H VAL 75 H VAL 75 10.306 2.017 7.169 527 HA VAL 75 HA VAL 75 10.243 2.235 4.281 528 HB VAL 75 HB VAL 75 9.988 4.607 4.606 529 HG11 VAL 75 1HG1 VAL 75 7.918 4.654 5.766 530 HG12 VAL 75 2HG1 VAL 75 8.052 3.054 5.034 531 HG13 VAL 75 3HG1 VAL 75 8.365 3.266 6.757 532 HG21 VAL 75 1HG2 VAL 75 10.585 4.075 7.515 533 HG22 VAL 75 2HG2 VAL 75 11.616 4.942 6.377 534 HG23 VAL 75 3HG2 VAL 75 10.058 5.620 6.848 535 H THR 76 H THR 76 11.887 2.822 2.975 536 HA THR 76 HA THR 76 14.422 3.664 4.201 537 HB THR 76 HB THR 76 14.158 1.528 2.075 538 HG1 THR 76 1HG THR 76 15.427 1.142 4.550 539 HG21 THR 76 1HG2 THR 76 16.415 3.189 2.986 540 HG22 THR 76 2HG2 THR 76 16.176 2.338 1.460 541 HG23 THR 76 3HG2 THR 76 16.743 1.460 2.881 542 H ASP 77 H ASP 77 15.015 5.539 3.355 543 HA ASP 77 HA ASP 77 13.962 6.377 0.776 544 HB2 ASP 77 1HB ASP 77 14.665 8.574 1.352 545 HB3 ASP 77 2HB ASP 77 14.005 7.872 2.827 546 H ASN 78 H ASN 78 15.061 6.258 -1.064 547 HA ASN 78 HA ASN 78 17.785 5.301 -1.053 548 HB2 ASN 78 1HB ASN 78 15.973 6.036 -3.364 549 HB3 ASN 78 2HB ASN 78 17.526 5.217 -3.502 550 HD21 ASN 78 1HD2 ASN 78 14.203 4.929 -2.559 551 HD22 ASN 78 2HD2 ASN 78 14.178 3.207 -2.419 552 H ALA 79 H ALA 79 16.774 8.184 -0.344 553 HA ALA 79 HA ALA 79 17.447 10.353 -0.658 554 HB1 ALA 79 1HB ALA 79 19.467 10.431 0.254 555 HB2 ALA 79 2HB ALA 79 19.632 8.698 -0.033 556 HB3 ALA 79 3HB ALA 79 20.204 9.850 -1.240 557 H ASP 80 H ASP 80 16.420 9.208 -3.031 558 HA ASP 80 HA ASP 80 18.019 10.652 -5.040 559 HB2 ASP 80 1HB ASP 80 18.070 8.107 -5.236 560 HB3 ASP 80 2HB ASP 80 16.366 8.209 -5.669 561 H GLY 81 H GLY 81 14.890 9.843 -3.747 562 HA2 GLY 81 1HA GLY 81 13.469 12.016 -4.150 563 HA3 GLY 81 2HA GLY 81 13.530 11.424 -5.803 564 H THR 82 H THR 82 13.583 8.677 -4.151 565 HA THR 82 HA THR 82 10.665 8.536 -3.790 566 HB THR 82 HB THR 82 10.535 6.411 -4.880 567 HG1 THR 82 1HG THR 82 12.344 5.296 -4.578 568 HG21 THR 82 1HG2 THR 82 12.308 7.879 -6.783 569 HG22 THR 82 2HG2 THR 82 10.808 8.637 -6.247 570 HG23 THR 82 3HG2 THR 82 10.763 7.080 -7.073 571 H TYR 83 H TYR 83 9.988 6.602 -2.523 572 HA TYR 83 HA TYR 83 11.988 6.000 -0.447 573 HB2 TYR 83 1HB TYR 83 8.993 5.907 -0.094 574 HB3 TYR 83 2HB TYR 83 10.228 5.880 1.159 575 HD1 TYR 83 1HD TYR 83 8.558 8.013 -1.352 576 HD2 TYR 83 2HD TYR 83 11.155 7.897 2.015 577 HE1 TYR 83 1HE TYR 83 8.395 10.459 -1.151 578 HE2 TYR 83 2HE TYR 83 10.999 10.343 2.227 579 HH TYR 83 HH TYR 83 10.256 12.228 1.293 580 H GLN 84 H GLN 84 11.787 3.896 0.610 581 HA GLN 84 HA GLN 84 10.518 1.837 -1.052 582 HB2 GLN 84 1HB GLN 84 12.924 2.006 -1.649 583 HB3 GLN 84 2HB GLN 84 13.336 1.655 0.024 584 HG2 GLN 84 1HG GLN 84 13.534 -0.426 -0.844 585 HG3 GLN 84 2HG GLN 84 11.823 -0.462 -0.422 586 HE21 GLN 84 1HE2 GLN 84 10.654 -1.383 -1.930 587 HE22 GLN 84 2HE2 GLN 84 10.901 -1.262 -3.636 588 H VAL 85 H VAL 85 9.008 1.074 0.296 589 HA VAL 85 HA VAL 85 9.704 0.614 3.109 590 HB VAL 85 HB VAL 85 6.980 0.482 1.809 591 HG11 VAL 85 1HG1 VAL 85 6.182 -0.205 3.770 592 HG12 VAL 85 2HG1 VAL 85 7.853 -0.494 4.260 593 HG13 VAL 85 3HG1 VAL 85 7.072 1.040 4.645 594 HG21 VAL 85 1HG2 VAL 85 6.880 2.674 3.368 595 HG22 VAL 85 2HG2 VAL 85 8.567 2.739 2.855 596 HG23 VAL 85 3HG2 VAL 85 7.279 2.717 1.651 597 H GLU 86 H GLU 86 10.185 -1.363 3.781 598 HA GLU 86 HA GLU 86 9.285 -3.654 2.161 599 HB2 GLU 86 1HB GLU 86 11.678 -3.479 2.059 600 HB3 GLU 86 2HB GLU 86 11.791 -3.295 3.804 601 HG2 GLU 86 1HG GLU 86 10.667 -5.642 3.847 602 HG3 GLU 86 2HG GLU 86 11.260 -5.742 2.189 603 H TYR 87 H TYR 87 8.175 -5.258 3.127 604 HA TYR 87 HA TYR 87 8.170 -5.537 6.014 605 HB2 TYR 87 1HB TYR 87 5.848 -5.179 6.345 606 HB3 TYR 87 2HB TYR 87 6.417 -3.798 5.414 607 HD1 TYR 87 2HD TYR 87 4.558 -6.987 5.199 608 HD2 TYR 87 1HD TYR 87 5.555 -3.339 3.250 609 HE1 TYR 87 2HE TYR 87 2.835 -7.430 3.501 610 HE2 TYR 87 1HE TYR 87 3.834 -3.771 1.547 611 HH TYR 87 HH TYR 87 2.276 -5.169 0.817 612 H THR 88 H THR 88 7.110 -7.487 6.734 613 HA THR 88 HA THR 88 6.741 -9.474 4.588 614 HB THR 88 HB THR 88 7.901 -10.122 7.296 615 HG1 THR 88 1HG THR 88 9.357 -9.785 4.873 616 HG21 THR 88 1HG2 THR 88 8.418 -11.724 4.852 617 HG22 THR 88 2HG2 THR 88 6.797 -11.807 5.543 618 HG23 THR 88 3HG2 THR 88 8.197 -12.245 6.522 619 HA PRO 89 HA PRO 89 2.790 -9.572 6.790 620 HB2 PRO 89 1HB PRO 89 1.460 -10.819 4.779 621 HB3 PRO 89 2HB PRO 89 1.771 -9.080 4.790 622 HG2 PRO 89 1HG PRO 89 3.241 -11.258 3.356 623 HG3 PRO 89 2HG PRO 89 2.762 -9.656 2.767 624 HD2 PRO 89 1HD PRO 89 5.278 -10.210 3.597 625 HD3 PRO 89 2HD PRO 89 4.539 -8.608 3.794 626 H PHE 90 H PHE 90 2.480 -11.073 8.300 627 HA PHE 90 HA PHE 90 3.218 -13.853 7.730 628 HB2 PHE 90 1HB PHE 90 2.898 -14.059 10.282 629 HB3 PHE 90 2HB PHE 90 4.297 -13.166 9.696 630 HD1 PHE 90 1HD PHE 90 0.954 -12.856 11.201 631 HD2 PHE 90 2HD PHE 90 4.545 -10.842 10.121 632 HE1 PHE 90 1HE PHE 90 0.258 -10.907 12.532 633 HE2 PHE 90 2HE PHE 90 3.856 -8.891 11.451 634 HZ PHE 90 HZ PHE 90 1.710 -8.922 12.660 635 H GLU 91 H GLU 91 0.820 -12.820 6.616 636 HA GLU 91 HA GLU 91 -1.029 -14.787 7.591 637 HB2 GLU 91 1HB GLU 91 -1.410 -11.895 8.199 638 HB3 GLU 91 2HB GLU 91 -2.826 -12.834 7.748 639 HG2 GLU 91 1HG GLU 91 -2.078 -14.481 9.557 640 HG3 GLU 91 2HG GLU 91 -1.025 -13.181 10.114 641 H LYS 92 H LYS 92 -2.094 -15.577 5.902 642 HA LYS 92 HA LYS 92 -1.859 -14.320 3.328 643 HB2 LYS 92 1HB LYS 92 -3.400 -16.793 4.136 644 HB3 LYS 92 2HB LYS 92 -3.031 -16.300 2.489 645 HG2 LYS 92 1HG LYS 92 -0.895 -17.022 2.604 646 HG3 LYS 92 2HG LYS 92 -0.729 -16.604 4.311 647 HD2 LYS 92 1HD LYS 92 -0.662 -19.046 3.887 648 HD3 LYS 92 2HD LYS 92 -1.975 -18.561 4.962 649 HE2 LYS 92 1HE LYS 92 -3.286 -18.430 2.651 650 HE3 LYS 92 2HE LYS 92 -2.069 -19.620 2.190 651 HZ1 LYS 92 1HZ LYS 92 -3.924 -19.834 4.500 652 HZ2 LYS 92 2HZ LYS 92 -2.738 -20.969 4.091 653 HZ3 LYS 92 3HZ LYS 92 -4.042 -20.695 3.049 654 H GLY 93 H GLY 93 -3.106 -12.614 2.879 655 HA2 GLY 93 1HA GLY 93 -5.793 -12.726 2.372 656 HA3 GLY 93 2HA GLY 93 -5.695 -12.240 4.058 657 H LEU 94 H LEU 94 -6.912 -10.433 2.737 658 HA LEU 94 HA LEU 94 -5.084 -8.538 1.508 659 HB2 LEU 94 1HB LEU 94 -7.140 -8.685 0.394 660 HB3 LEU 94 2HB LEU 94 -8.056 -8.639 1.899 661 HG LEU 94 HG LEU 94 -7.219 -6.234 2.129 662 HD11 LEU 94 1HD1 LEU 94 -6.315 -5.125 0.324 663 HD12 LEU 94 2HD1 LEU 94 -6.888 -6.323 -0.837 664 HD13 LEU 94 3HD1 LEU 94 -5.520 -6.696 0.212 665 HD21 LEU 94 1HD2 LEU 94 -8.889 -5.679 0.052 666 HD22 LEU 94 2HD2 LEU 94 -9.413 -6.124 1.676 667 HD23 LEU 94 3HD2 LEU 94 -9.315 -7.352 0.413 668 H HIS 95 H HIS 95 -3.986 -7.130 2.687 669 HA HIS 95 HA HIS 95 -5.012 -6.375 5.331 670 HB2 HIS 95 1HB HIS 95 -2.276 -5.596 4.455 671 HB3 HIS 95 2HB HIS 95 -2.846 -6.106 6.042 672 HD2 HIS 95 2HD HIS 95 -0.347 -7.436 3.933 673 HE1 HIS 95 1HE HIS 95 -2.629 -10.910 4.782 674 HE2 HIS 95 2HE HIS 95 -0.406 -10.021 4.000 675 H VAL 96 H VAL 96 -4.764 -4.134 6.023 676 HA VAL 96 HA VAL 96 -5.240 -2.282 3.788 677 HB VAL 96 HB VAL 96 -6.098 -2.124 6.678 678 HG11 VAL 96 1HG1 VAL 96 -7.101 -0.012 6.214 679 HG12 VAL 96 2HG1 VAL 96 -5.414 0.083 5.705 680 HG13 VAL 96 3HG1 VAL 96 -6.688 -0.125 4.504 681 HG21 VAL 96 1HG2 VAL 96 -7.540 -3.587 5.543 682 HG22 VAL 96 2HG2 VAL 96 -8.379 -2.036 5.534 683 HG23 VAL 96 3HG2 VAL 96 -7.542 -2.594 4.086 684 H VAL 97 H VAL 97 -3.316 -1.399 3.270 685 HA VAL 97 HA VAL 97 -1.494 -0.539 5.382 686 HB VAL 97 HB VAL 97 -1.166 -0.565 2.380 687 HG11 VAL 97 1HG1 VAL 97 0.066 1.261 3.660 688 HG12 VAL 97 2HG1 VAL 97 1.004 -0.043 4.390 689 HG13 VAL 97 3HG1 VAL 97 1.038 0.199 2.642 690 HG21 VAL 97 1HG2 VAL 97 -0.482 -2.665 2.609 691 HG22 VAL 97 2HG2 VAL 97 0.711 -2.175 3.812 692 HG23 VAL 97 3HG2 VAL 97 -0.924 -2.604 4.315 693 H GLU 98 H GLU 98 -1.463 1.477 6.112 694 HA GLU 98 HA GLU 98 -2.929 3.539 4.651 695 HB2 GLU 98 1HB GLU 98 -2.117 3.125 7.478 696 HB3 GLU 98 2HB GLU 98 -2.222 4.787 6.916 697 HG2 GLU 98 1HG GLU 98 -4.450 2.787 6.646 698 HG3 GLU 98 2HG GLU 98 -4.287 3.905 7.998 699 H VAL 99 H VAL 99 -2.034 5.575 4.173 700 HA VAL 99 HA VAL 99 0.867 5.860 4.428 701 HB VAL 99 HB VAL 99 -0.578 6.168 1.792 702 HG11 VAL 99 1HG1 VAL 99 1.121 7.756 1.750 703 HG12 VAL 99 2HG1 VAL 99 2.226 6.741 2.680 704 HG13 VAL 99 3HG1 VAL 99 1.869 6.347 0.998 705 HG21 VAL 99 1HG2 VAL 99 1.302 4.053 2.817 706 HG22 VAL 99 2HG2 VAL 99 -0.342 3.845 2.215 707 HG23 VAL 99 3HG2 VAL 99 0.954 4.287 1.104 708 H THR 100 H THR 100 1.389 7.842 5.071 709 HA THR 100 HA THR 100 -0.332 10.098 4.331 710 HB THR 100 HB THR 100 -0.018 10.999 6.690 711 HG1 THR 100 1HG THR 100 0.204 9.150 8.231 712 HG21 THR 100 1HG2 THR 100 -1.655 8.543 6.935 713 HG22 THR 100 2HG2 THR 100 -2.050 9.629 5.603 714 HG23 THR 100 3HG2 THR 100 -2.076 10.223 7.263 715 H TYR 101 H TYR 101 0.854 11.659 3.466 716 HA TYR 101 HA TYR 101 3.719 11.779 4.119 717 HB2 TYR 101 1HB TYR 101 2.932 11.426 1.709 718 HB3 TYR 101 2HB TYR 101 2.389 13.100 1.757 719 HD1 TYR 101 1HD TYR 101 4.378 14.657 2.928 720 HD2 TYR 101 2HD TYR 101 4.912 11.152 0.577 721 HE1 TYR 101 1HE TYR 101 6.641 15.411 2.328 722 HE2 TYR 101 2HE TYR 101 7.177 11.895 -0.028 723 HH TYR 101 HH TYR 101 8.283 15.038 0.505 724 H ASP 102 H ASP 102 3.952 13.152 5.786 725 HA ASP 102 HA ASP 102 4.034 15.108 6.946 726 HB2 ASP 102 1HB ASP 102 4.716 15.940 4.624 727 HB3 ASP 102 2HB ASP 102 3.058 16.512 4.464 728 H ASP 103 H ASP 103 1.876 13.699 7.526 729 HA ASP 103 HA ASP 103 -0.195 13.814 8.458 730 HB2 ASP 103 1HB ASP 103 0.172 16.806 8.197 731 HB3 ASP 103 2HB ASP 103 -1.005 15.990 9.222 732 H VAL 104 H VAL 104 0.212 13.821 5.504 733 HA VAL 104 HA VAL 104 -2.537 14.554 4.791 734 HB VAL 104 HB VAL 104 -0.137 15.213 3.077 735 HG11 VAL 104 1HG1 VAL 104 -3.096 15.428 2.638 736 HG12 VAL 104 2HG1 VAL 104 -1.958 16.458 1.767 737 HG13 VAL 104 3HG1 VAL 104 -1.870 14.704 1.597 738 HG21 VAL 104 1HG2 VAL 104 -0.313 16.733 4.962 739 HG22 VAL 104 2HG2 VAL 104 -0.768 17.558 3.471 740 HG23 VAL 104 3HG2 VAL 104 -2.014 17.021 4.597 741 HA PRO 105 HA PRO 105 -2.074 10.305 3.390 742 HB2 PRO 105 1HB PRO 105 -4.728 9.917 2.970 743 HB3 PRO 105 2HB PRO 105 -3.988 9.838 4.573 744 HG2 PRO 105 1HG PRO 105 -5.488 12.087 3.288 745 HG3 PRO 105 2HG PRO 105 -5.595 11.475 4.949 746 HD2 PRO 105 1HD PRO 105 -4.188 13.696 4.303 747 HD3 PRO 105 2HD PRO 105 -3.707 12.611 5.623 748 H ILE 106 H ILE 106 -2.068 9.350 1.384 749 HA ILE 106 HA ILE 106 -2.352 11.122 -0.880 750 HB ILE 106 HB ILE 106 -1.671 8.966 -2.145 751 HG12 ILE 106 1HG1 ILE 106 -0.802 8.173 0.638 752 HG13 ILE 106 2HG1 ILE 106 -2.229 7.509 -0.150 753 HG21 ILE 106 1HG2 ILE 106 0.741 9.282 -1.143 754 HG22 ILE 106 2HG2 ILE 106 -0.027 10.557 -2.088 755 HG23 ILE 106 3HG2 ILE 106 -0.021 10.647 -0.327 756 HD11 ILE 106 1HD1 ILE 106 0.241 6.415 -0.249 757 HD12 ILE 106 2HD1 ILE 106 -1.023 6.146 -1.448 758 HD13 ILE 106 3HD1 ILE 106 0.225 7.357 -1.739 759 HA PRO 107 HA PRO 107 -6.290 9.857 -2.346 760 HB2 PRO 107 1HB PRO 107 -5.909 9.811 -5.034 761 HB3 PRO 107 2HB PRO 107 -5.991 11.310 -4.101 762 HG2 PRO 107 1HG PRO 107 -3.588 9.824 -5.092 763 HG3 PRO 107 2HG PRO 107 -3.907 11.568 -5.102 764 HD2 PRO 107 1HD PRO 107 -2.327 10.387 -3.247 765 HD3 PRO 107 2HD PRO 107 -3.317 11.816 -2.887 766 H ASN 108 H ASN 108 -3.757 7.799 -2.303 767 HA ASN 108 HA ASN 108 -5.233 5.645 -3.668 768 HB2 ASN 108 1HB ASN 108 -2.276 5.999 -3.164 769 HB3 ASN 108 2HB ASN 108 -2.980 4.474 -3.693 770 HD21 ASN 108 1HD2 ASN 108 -2.510 7.844 -4.548 771 HD22 ASN 108 2HD2 ASN 108 -2.655 7.624 -6.256 772 H SER 109 H SER 109 -4.743 6.875 -0.699 773 HA SER 109 HA SER 109 -4.584 4.252 0.623 774 HB2 SER 109 1HB SER 109 -2.899 5.678 1.498 775 HB3 SER 109 2HB SER 109 -4.004 7.048 1.602 776 HG SER 109 HG SER 109 -5.175 5.756 3.188 777 HA PRO 110 HA PRO 110 -4.944 3.565 2.768 778 HB2 PRO 110 1HB PRO 110 -6.545 1.431 3.274 779 HB3 PRO 110 2HB PRO 110 -6.418 2.817 4.364 780 HG2 PRO 110 1HG PRO 110 -8.518 2.199 2.321 781 HG3 PRO 110 2HG PRO 110 -8.711 2.817 3.972 782 HD2 PRO 110 1HD PRO 110 -8.832 4.419 1.793 783 HD3 PRO 110 2HD PRO 110 -8.204 4.979 3.356 784 H PHE 111 H PHE 111 -4.100 1.446 2.133 785 HA PHE 111 HA PHE 111 -4.622 0.925 -0.704 786 HB2 PHE 111 1HB PHE 111 -2.254 0.471 1.084 787 HB3 PHE 111 2HB PHE 111 -2.419 -0.435 -0.416 788 HD1 PHE 111 1HD PHE 111 -2.396 0.739 -2.579 789 HD2 PHE 111 2HD PHE 111 -1.660 2.772 1.087 790 HE1 PHE 111 1HE PHE 111 -1.422 2.624 -3.824 791 HE2 PHE 111 2HE PHE 111 -0.685 4.661 -0.152 792 HZ PHE 111 HZ PHE 111 -0.566 4.589 -2.611 793 H LYS 112 H LYS 112 -4.331 -1.403 -1.389 794 HA LYS 112 HA LYS 112 -5.331 -3.290 0.624 795 HB2 LYS 112 1HB LYS 112 -6.614 -2.542 -1.971 796 HB3 LYS 112 2HB LYS 112 -6.754 -4.200 -1.402 797 HG2 LYS 112 1HG LYS 112 -8.024 -3.607 0.428 798 HG3 LYS 112 2HG LYS 112 -7.439 -1.942 0.426 799 HD2 LYS 112 1HD LYS 112 -8.661 -1.634 -1.756 800 HD3 LYS 112 2HD LYS 112 -9.395 -3.216 -1.480 801 HE2 LYS 112 1HE LYS 112 -10.976 -1.737 -0.632 802 HE3 LYS 112 2HE LYS 112 -10.091 -2.250 0.804 803 HZ1 LYS 112 1HZ LYS 112 -9.913 0.324 -0.638 804 HZ2 LYS 112 2HZ LYS 112 -8.689 -0.184 0.414 805 HZ3 LYS 112 3HZ LYS 112 -10.260 0.052 0.996 806 H VAL 113 H VAL 113 -3.754 -4.752 0.750 807 HA VAL 113 HA VAL 113 -2.499 -5.684 -1.746 808 HB VAL 113 HB VAL 113 -1.431 -5.784 1.078 809 HG11 VAL 113 1HG1 VAL 113 -0.830 -7.736 -0.397 810 HG12 VAL 113 2HG1 VAL 113 0.003 -6.585 -1.444 811 HG13 VAL 113 3HG1 VAL 113 0.532 -6.804 0.225 812 HG21 VAL 113 1HG2 VAL 113 0.387 -4.365 -0.213 813 HG22 VAL 113 2HG2 VAL 113 -0.991 -3.979 -1.244 814 HG23 VAL 113 3HG2 VAL 113 -1.049 -3.611 0.480 815 H ALA 114 H ALA 114 -3.459 -7.492 -2.421 816 HA ALA 114 HA ALA 114 -4.603 -9.377 -0.540 817 HB1 ALA 114 1HB ALA 114 -5.595 -8.677 -2.809 818 HB2 ALA 114 2HB ALA 114 -4.433 -9.811 -3.500 819 HB3 ALA 114 3HB ALA 114 -5.651 -10.381 -2.358 820 H VAL 115 H VAL 115 -3.030 -10.473 0.529 821 HA VAL 115 HA VAL 115 -0.730 -11.535 -0.870 822 HB VAL 115 HB VAL 115 -1.615 -11.781 2.005 823 HG11 VAL 115 1HG1 VAL 115 0.599 -12.755 2.434 824 HG12 VAL 115 2HG1 VAL 115 -0.376 -13.773 1.371 825 HG13 VAL 115 3HG1 VAL 115 0.916 -12.776 0.700 826 HG21 VAL 115 1HG2 VAL 115 -0.823 -9.666 1.963 827 HG22 VAL 115 2HG2 VAL 115 0.739 -10.478 2.059 828 HG23 VAL 115 3HG2 VAL 115 0.123 -9.934 0.499 829 H THR 116 H THR 116 -0.240 -13.716 -1.146 830 HA THR 116 HA THR 116 -2.297 -15.690 -0.515 831 HB THR 116 HB THR 116 -2.945 -15.006 -2.738 832 HG1 THR 116 1HG THR 116 -1.481 -17.430 -3.016 833 HG21 THR 116 1HG2 THR 116 -0.213 -15.762 -3.747 834 HG22 THR 116 2HG2 THR 116 -0.625 -14.106 -3.301 835 HG23 THR 116 3HG2 THR 116 -1.501 -14.914 -4.600 836 H GLU 117 H GLU 117 -1.548 -17.836 -0.466 837 HA GLU 117 HA GLU 117 1.218 -18.102 0.204 838 HB2 GLU 117 1HB GLU 117 0.574 -20.580 0.358 839 HB3 GLU 117 2HB GLU 117 -0.216 -19.464 1.463 840 HG2 GLU 117 1HG GLU 117 -2.219 -19.487 0.187 841 HG3 GLU 117 2HG GLU 117 -1.439 -20.360 -1.131 842 H GLY 118 H GLY 118 2.707 -18.040 -1.361 843 HA2 GLY 118 1HA GLY 118 2.165 -19.512 -3.859 844 HA3 GLY 118 2HA GLY 118 3.285 -18.166 -3.710 845 H CYS 119 H CYS 119 5.374 -18.636 -3.522 846 HA CYS 119 HA CYS 119 6.123 -21.298 -2.515 847 HB2 CYS 119 1HB CYS 119 6.271 -21.175 -5.009 848 HB3 CYS 119 2HB CYS 119 7.454 -19.885 -4.833 849 HG CYS 119 HG CYS 119 9.337 -21.498 -3.524 850 H GLN 120 H GLN 120 6.849 -20.670 -0.537 851 HA GLN 120 HA GLN 120 8.999 -18.656 -0.484 852 HB2 GLN 120 1HB GLN 120 8.403 -18.260 1.868 853 HB3 GLN 120 2HB GLN 120 7.051 -17.939 0.790 854 HG2 GLN 120 1HG GLN 120 5.989 -19.099 2.432 855 HG3 GLN 120 2HG GLN 120 6.427 -20.424 1.355 856 HE21 GLN 120 1HE2 GLN 120 7.756 -18.581 4.079 857 HE22 GLN 120 2HE2 GLN 120 8.461 -19.942 4.877 858 HA PRO 121 HA PRO 121 11.782 -21.820 0.782 859 HB2 PRO 121 1HB PRO 121 13.642 -20.287 2.031 860 HB3 PRO 121 2HB PRO 121 13.462 -20.338 0.273 861 HG2 PRO 121 1HG PRO 121 12.442 -18.309 2.225 862 HG3 PRO 121 2HG PRO 121 13.202 -18.057 0.642 863 HD2 PRO 121 1HD PRO 121 10.522 -17.926 1.010 864 HD3 PRO 121 2HD PRO 121 11.252 -18.498 -0.505 865 H SER 122 H SER 122 12.224 -23.090 2.539 866 HA SER 122 HA SER 122 10.862 -22.368 5.020 867 HB2 SER 122 1HB SER 122 10.517 -24.607 3.849 868 HB3 SER 122 2HB SER 122 12.149 -25.022 4.374 869 HG SER 122 HG SER 122 11.185 -24.270 6.545 870 H SER 123 H SER 123 12.018 -21.351 6.510 871 HA SER 123 HA SER 123 14.905 -21.670 6.615 872 HB2 SER 123 1HB SER 123 14.858 -19.828 8.215 873 HB3 SER 123 2HB SER 123 13.890 -19.416 6.800 874 HG SER 123 HG SER 123 12.723 -18.886 8.625 875 H GLY 124 H GLY 124 15.791 -21.638 9.006 876 HA2 GLY 124 1HA GLY 124 14.343 -23.705 10.540 877 HA3 GLY 124 2HA GLY 124 16.071 -23.827 10.243 878 HA PRO 125 HA PRO 125 15.152 -21.553 14.273 879 HB2 PRO 125 1HB PRO 125 16.276 -23.381 15.936 880 HB3 PRO 125 2HB PRO 125 14.574 -23.433 15.461 881 HG2 PRO 125 1HG PRO 125 16.890 -24.989 14.378 882 HG3 PRO 125 2HG PRO 125 15.252 -25.546 14.767 883 HD2 PRO 125 1HD PRO 125 16.041 -24.997 12.236 884 HD3 PRO 125 2HD PRO 125 14.375 -24.743 12.793 885 H SER 126 H SER 126 16.609 -19.989 14.519 886 HA SER 126 HA SER 126 19.455 -20.720 14.662 887 HB2 SER 126 1HB SER 126 18.238 -18.412 13.133 888 HB3 SER 126 2HB SER 126 19.960 -18.547 13.488 889 HG SER 126 HG SER 126 18.950 -20.828 12.403 890 H SER 127 H SER 127 20.347 -20.093 16.504 891 HA SER 127 HA SER 127 19.148 -18.897 18.613 892 HB2 SER 127 1HB SER 127 21.392 -19.917 18.710 893 HB3 SER 127 2HB SER 127 22.056 -18.529 17.848 894 HG SER 127 HG SER 127 21.302 -18.780 20.490 895 H GLY 128 H GLY 128 18.950 -16.824 19.475 896 HA2 GLY 128 1HA GLY 128 19.387 -14.450 19.389 897 HA3 GLY 128 2HA GLY 128 19.575 -14.596 17.648 Start of MODEL 15 1 H1 GLY 1 H GLY 1 24.577 3.091 8.346 2 HA2 GLY 1 1HA GLY 1 21.715 3.725 8.051 3 HA3 GLY 1 2HA GLY 1 22.528 3.394 9.573 4 H SER 2 H SER 2 24.228 4.999 10.214 5 HA SER 2 HA SER 2 24.792 7.123 10.801 6 HB2 SER 2 1HB SER 2 25.161 7.119 8.207 7 HB3 SER 2 2HB SER 2 23.737 8.159 8.191 8 HG SER 2 HG SER 2 26.252 8.811 8.762 9 H SER 3 H SER 3 22.315 6.236 11.676 10 HA SER 3 HA SER 3 20.411 8.396 11.251 11 HB2 SER 3 1HB SER 3 19.623 6.047 11.342 12 HB3 SER 3 2HB SER 3 20.184 5.942 13.011 13 HG SER 3 HG SER 3 18.736 7.781 13.399 14 H GLY 4 H GLY 4 19.997 10.009 12.650 15 HA2 GLY 4 1HA GLY 4 21.684 10.148 15.049 16 HA3 GLY 4 2HA GLY 4 20.910 11.512 14.257 17 H SER 5 H SER 5 19.671 12.381 15.809 18 HA SER 5 HA SER 5 18.198 10.730 17.662 19 HB2 SER 5 1HB SER 5 19.270 12.994 18.194 20 HB3 SER 5 2HB SER 5 17.912 13.715 17.331 21 HG SER 5 HG SER 5 17.403 13.596 19.507 22 H SER 6 H SER 6 16.104 10.177 17.567 23 HA SER 6 HA SER 6 14.522 11.239 15.319 24 HB2 SER 6 1HB SER 6 14.272 8.550 16.689 25 HB3 SER 6 2HB SER 6 13.301 9.109 15.328 26 HG SER 6 HG SER 6 14.979 7.840 14.556 27 H GLY 7 H GLY 7 12.115 11.143 15.702 28 HA2 GLY 7 1HA GLY 7 10.317 11.131 17.333 29 HA3 GLY 7 2HA GLY 7 11.470 11.714 18.524 30 H HIS 8 H HIS 8 8.980 12.598 16.523 31 HA HIS 8 HA HIS 8 9.774 15.430 16.670 32 HB2 HIS 8 1HB HIS 8 8.399 13.956 14.431 33 HB3 HIS 8 2HB HIS 8 8.289 15.706 14.595 34 HD1 HIS 8 1HD HIS 8 10.439 13.044 13.306 35 HD2 HIS 8 2HD HIS 8 10.856 17.042 14.357 36 HE1 HIS 8 1HE HIS 8 12.600 13.793 12.259 37 H PHE 9 H PHE 9 8.096 16.939 17.042 38 HA PHE 9 HA PHE 9 6.226 16.247 18.952 39 HB2 PHE 9 1HB PHE 9 6.193 18.567 17.013 40 HB3 PHE 9 2HB PHE 9 5.131 18.433 18.411 41 HD1 PHE 9 1HD PHE 9 6.320 18.098 20.704 42 HD2 PHE 9 2HD PHE 9 8.212 19.655 17.224 43 HE1 PHE 9 1HE PHE 9 8.042 19.146 22.114 44 HE2 PHE 9 2HE PHE 9 9.938 20.705 18.628 45 HZ PHE 9 HZ PHE 9 9.855 20.451 21.077 46 HA PRO 10 HA PRO 10 3.243 14.072 16.449 47 HB2 PRO 10 1HB PRO 10 1.538 13.518 18.488 48 HB3 PRO 10 2HB PRO 10 3.040 12.624 18.222 49 HG2 PRO 10 1HG PRO 10 2.475 14.849 20.143 50 HG3 PRO 10 2HG PRO 10 3.379 13.347 20.406 51 HD2 PRO 10 1HD PRO 10 4.599 15.721 19.948 52 HD3 PRO 10 2HD PRO 10 5.288 14.175 19.413 53 H ALA 11 H ALA 11 2.426 15.764 15.200 54 HA ALA 11 HA ALA 11 0.517 17.611 16.393 55 HB1 ALA 11 1HB ALA 11 2.104 18.548 14.841 56 HB2 ALA 11 2HB ALA 11 1.606 17.411 13.589 57 HB3 ALA 11 3HB ALA 11 0.485 18.651 14.149 58 H ARG 12 H ARG 12 -1.484 16.869 16.684 59 HA ARG 12 HA ARG 12 -2.746 15.387 14.474 60 HB2 ARG 12 1HB ARG 12 -2.141 14.148 16.742 61 HB3 ARG 12 2HB ARG 12 -3.636 14.902 17.278 62 HG2 ARG 12 1HG ARG 12 -4.673 13.874 15.166 63 HG3 ARG 12 2HG ARG 12 -3.225 12.866 15.124 64 HD2 ARG 12 1HD ARG 12 -4.787 11.591 16.311 65 HD3 ARG 12 2HD ARG 12 -3.765 12.305 17.558 66 HE ARG 12 HE ARG 12 -5.753 14.080 17.426 67 HH11 ARG 12 1HH1 ARG 12 -5.796 10.603 17.584 68 HH12 ARG 12 2HH1 ARG 12 -7.310 10.529 18.422 69 HH21 ARG 12 1HH2 ARG 12 -7.748 13.997 18.529 70 HH22 ARG 12 2HH2 ARG 12 -8.420 12.460 18.958 71 H VAL 13 H VAL 13 -2.782 18.222 14.967 72 HA VAL 13 HA VAL 13 -5.564 18.656 15.819 73 HB VAL 13 HB VAL 13 -3.324 20.661 15.518 74 HG11 VAL 13 1HG1 VAL 13 -5.218 21.915 16.975 75 HG12 VAL 13 2HG1 VAL 13 -5.063 22.067 15.223 76 HG13 VAL 13 3HG1 VAL 13 -6.230 20.937 15.911 77 HG21 VAL 13 1HG2 VAL 13 -3.268 18.982 17.452 78 HG22 VAL 13 2HG2 VAL 13 -3.140 20.695 17.851 79 HG23 VAL 13 3HG2 VAL 13 -4.671 19.849 18.075 80 H LYS 14 H LYS 14 -7.003 19.773 14.516 81 HA LYS 14 HA LYS 14 -6.877 19.360 11.772 82 HB2 LYS 14 1HB LYS 14 -8.759 21.013 11.645 83 HB3 LYS 14 2HB LYS 14 -8.999 19.723 12.815 84 HG2 LYS 14 1HG LYS 14 -7.979 21.458 14.487 85 HG3 LYS 14 2HG LYS 14 -8.494 22.622 13.264 86 HD2 LYS 14 1HD LYS 14 -10.764 21.926 13.443 87 HD3 LYS 14 2HD LYS 14 -10.323 20.529 14.427 88 HE2 LYS 14 1HE LYS 14 -9.844 23.376 15.284 89 HE3 LYS 14 2HE LYS 14 -11.314 22.485 15.674 90 HZ1 LYS 14 1HZ LYS 14 -8.709 21.296 16.324 91 HZ2 LYS 14 2HZ LYS 14 -10.203 21.090 17.088 92 HZ3 LYS 14 3HZ LYS 14 -9.323 22.515 17.323 93 H VAL 15 H VAL 15 -5.213 20.126 10.599 94 HA VAL 15 HA VAL 15 -4.926 23.038 10.429 95 HB VAL 15 HB VAL 15 -2.604 21.127 10.713 96 HG11 VAL 15 1HG1 VAL 15 -1.476 23.556 10.808 97 HG12 VAL 15 2HG1 VAL 15 -1.645 22.629 9.316 98 HG13 VAL 15 3HG1 VAL 15 -2.809 23.897 9.705 99 HG21 VAL 15 1HG2 VAL 15 -3.255 23.464 12.481 100 HG22 VAL 15 2HG2 VAL 15 -3.908 21.855 12.788 101 HG23 VAL 15 3HG2 VAL 15 -2.164 22.114 12.794 102 H GLU 16 H GLU 16 -5.374 23.537 8.392 103 HA GLU 16 HA GLU 16 -5.737 22.026 6.224 104 HB2 GLU 16 1HB GLU 16 -5.290 23.912 4.829 105 HB3 GLU 16 2HB GLU 16 -5.948 24.524 6.340 106 HG2 GLU 16 1HG GLU 16 -3.686 25.073 7.096 107 HG3 GLU 16 2HG GLU 16 -3.039 24.480 5.567 108 HA PRO 17 HA PRO 17 -2.002 19.991 5.105 109 HB2 PRO 17 1HB PRO 17 -2.492 19.574 2.468 110 HB3 PRO 17 2HB PRO 17 -3.302 18.667 3.750 111 HG2 PRO 17 1HG PRO 17 -4.288 21.016 2.179 112 HG3 PRO 17 2HG PRO 17 -5.150 19.536 2.639 113 HD2 PRO 17 1HD PRO 17 -5.459 21.876 3.967 114 HD3 PRO 17 2HD PRO 17 -5.575 20.298 4.773 115 H ALA 18 H ALA 18 -0.008 20.423 4.239 116 HA ALA 18 HA ALA 18 0.252 22.928 2.705 117 HB1 ALA 18 1HB ALA 18 2.308 23.404 3.837 118 HB2 ALA 18 2HB ALA 18 1.067 23.091 5.051 119 HB3 ALA 18 3HB ALA 18 2.263 21.852 4.673 120 H VAL 19 H VAL 19 0.144 19.923 2.030 121 HA VAL 19 HA VAL 19 2.438 19.997 0.203 122 HB VAL 19 HB VAL 19 3.200 18.547 1.952 123 HG11 VAL 19 1HG1 VAL 19 1.670 17.588 3.257 124 HG12 VAL 19 2HG1 VAL 19 0.418 17.739 2.024 125 HG13 VAL 19 3HG1 VAL 19 1.509 16.353 2.009 126 HG21 VAL 19 1HG2 VAL 19 3.528 16.467 0.738 127 HG22 VAL 19 2HG2 VAL 19 2.193 16.867 -0.344 128 HG23 VAL 19 3HG2 VAL 19 3.661 17.844 -0.357 129 H ASP 20 H ASP 20 2.017 19.277 -1.821 130 HA ASP 20 HA ASP 20 -0.601 19.105 -2.749 131 HB2 ASP 20 1HB ASP 20 1.163 19.662 -4.276 132 HB3 ASP 20 2HB ASP 20 1.984 18.133 -3.972 133 H THR 21 H THR 21 1.682 16.384 -2.956 134 HA THR 21 HA THR 21 1.319 14.127 -2.947 135 HB THR 21 HB THR 21 -0.028 13.299 -0.983 136 HG1 THR 21 1HG THR 21 -0.122 15.975 -0.099 137 HG21 THR 21 1HG2 THR 21 2.019 13.383 -0.093 138 HG22 THR 21 2HG2 THR 21 1.587 14.961 0.567 139 HG23 THR 21 3HG2 THR 21 2.413 14.851 -0.987 140 H SER 22 H SER 22 -0.186 15.290 -4.900 141 HA SER 22 HA SER 22 -2.732 13.812 -4.747 142 HB2 SER 22 1HB SER 22 -3.195 16.189 -4.803 143 HB3 SER 22 2HB SER 22 -2.129 16.403 -6.191 144 HG SER 22 HG SER 22 -3.648 15.684 -7.472 145 H ARG 23 H ARG 23 0.258 13.903 -6.156 146 HA ARG 23 HA ARG 23 -0.697 12.355 -8.469 147 HB2 ARG 23 1HB ARG 23 1.601 14.321 -8.457 148 HB3 ARG 23 2HB ARG 23 1.151 13.288 -9.807 149 HG2 ARG 23 1HG ARG 23 -0.799 14.482 -10.232 150 HG3 ARG 23 2HG ARG 23 -0.808 15.219 -8.629 151 HD2 ARG 23 1HD ARG 23 1.099 16.580 -9.195 152 HD3 ARG 23 2HD ARG 23 1.266 15.763 -10.748 153 HE ARG 23 HE ARG 23 -0.443 17.054 -11.584 154 HH11 ARG 23 1HH1 ARG 23 -0.301 17.394 -8.123 155 HH12 ARG 23 2HH1 ARG 23 -1.420 18.715 -8.076 156 HH21 ARG 23 1HH2 ARG 23 -1.918 18.793 -11.536 157 HH22 ARG 23 2HH2 ARG 23 -2.340 19.509 -10.018 158 H ILE 24 H ILE 24 0.297 11.587 -5.783 159 HA ILE 24 HA ILE 24 2.933 10.512 -6.152 160 HB ILE 24 HB ILE 24 0.856 10.049 -4.015 161 HG12 ILE 24 1HG1 ILE 24 3.429 11.631 -4.123 162 HG13 ILE 24 2HG1 ILE 24 1.797 12.261 -3.923 163 HG21 ILE 24 1HG2 ILE 24 3.072 8.416 -4.680 164 HG22 ILE 24 2HG2 ILE 24 3.451 9.253 -3.176 165 HG23 ILE 24 3HG2 ILE 24 1.985 8.281 -3.298 166 HD11 ILE 24 1HD1 ILE 24 2.355 10.369 -1.855 167 HD12 ILE 24 2HD1 ILE 24 3.637 11.578 -1.929 168 HD13 ILE 24 3HD1 ILE 24 1.959 12.082 -1.729 169 H LYS 25 H LYS 25 3.462 8.674 -7.119 170 HA LYS 25 HA LYS 25 1.348 6.674 -7.582 171 HB2 LYS 25 1HB LYS 25 3.769 7.409 -9.226 172 HB3 LYS 25 2HB LYS 25 2.843 5.940 -9.503 173 HG2 LYS 25 1HG LYS 25 1.025 7.073 -10.320 174 HG3 LYS 25 2HG LYS 25 1.418 8.554 -9.444 175 HD2 LYS 25 1HD LYS 25 3.083 9.155 -10.979 176 HD3 LYS 25 2HD LYS 25 3.174 7.525 -11.651 177 HE2 LYS 25 1HE LYS 25 2.031 8.855 -13.246 178 HE3 LYS 25 2HE LYS 25 0.813 7.850 -12.462 179 HZ1 LYS 25 1HZ LYS 25 1.204 10.373 -11.153 180 HZ2 LYS 25 2HZ LYS 25 -0.229 9.631 -11.661 181 HZ3 LYS 25 3HZ LYS 25 0.686 10.542 -12.755 182 H VAL 26 H VAL 26 1.728 4.545 -7.112 183 HA VAL 26 HA VAL 26 4.327 3.896 -5.883 184 HB VAL 26 HB VAL 26 3.168 2.455 -4.266 185 HG11 VAL 26 1HG1 VAL 26 3.714 4.879 -3.812 186 HG12 VAL 26 2HG1 VAL 26 2.013 5.229 -4.122 187 HG13 VAL 26 3HG1 VAL 26 2.467 4.166 -2.790 188 HG21 VAL 26 1HG2 VAL 26 1.164 1.803 -5.219 189 HG22 VAL 26 2HG2 VAL 26 0.635 2.988 -4.024 190 HG23 VAL 26 3HG2 VAL 26 0.751 3.442 -5.724 191 H PHE 27 H PHE 27 5.319 2.264 -6.852 192 HA PHE 27 HA PHE 27 3.685 0.219 -8.202 193 HB2 PHE 27 1HB PHE 27 5.686 0.048 -9.812 194 HB3 PHE 27 2HB PHE 27 4.603 1.423 -9.998 195 HD1 PHE 27 2HD PHE 27 7.913 0.341 -8.830 196 HD2 PHE 27 1HD PHE 27 5.346 3.652 -9.584 197 HE1 PHE 27 2HE PHE 27 9.828 1.871 -8.616 198 HE2 PHE 27 1HE PHE 27 7.257 5.187 -9.372 199 HZ PHE 27 HZ PHE 27 9.501 4.297 -8.886 200 H GLY 28 H GLY 28 4.215 -1.870 -7.829 201 HA2 GLY 28 1HA GLY 28 6.431 -3.212 -7.368 202 HA3 GLY 28 2HA GLY 28 6.308 -2.350 -5.841 203 HA PRO 29 HA PRO 29 3.761 -6.375 -5.937 204 HB2 PRO 29 1HB PRO 29 5.411 -7.926 -4.439 205 HB3 PRO 29 2HB PRO 29 5.503 -7.849 -6.203 206 HG2 PRO 29 1HG PRO 29 7.176 -6.445 -4.155 207 HG3 PRO 29 2HG PRO 29 7.681 -7.244 -5.655 208 HD2 PRO 29 1HD PRO 29 7.403 -4.558 -5.457 209 HD3 PRO 29 2HD PRO 29 7.085 -5.442 -6.963 210 H GLY 30 H GLY 30 5.718 -4.824 -3.429 211 HA2 GLY 30 1HA GLY 30 4.361 -5.773 -1.175 212 HA3 GLY 30 2HA GLY 30 5.237 -4.252 -1.261 213 H ILE 31 H ILE 31 3.423 -3.389 -3.509 214 HA ILE 31 HA ILE 31 1.161 -2.595 -1.802 215 HB ILE 31 HB ILE 31 2.645 -0.761 -2.620 216 HG12 ILE 31 1HG1 ILE 31 0.673 0.573 -3.660 217 HG13 ILE 31 2HG1 ILE 31 -0.266 -0.885 -3.357 218 HG21 ILE 31 1HG2 ILE 31 2.270 -2.120 -5.101 219 HG22 ILE 31 2HG2 ILE 31 1.671 -0.469 -5.249 220 HG23 ILE 31 3HG2 ILE 31 3.331 -0.761 -4.730 221 HD11 ILE 31 1HD1 ILE 31 1.240 -0.116 -1.025 222 HD12 ILE 31 2HD1 ILE 31 0.210 1.198 -1.593 223 HD13 ILE 31 3HD1 ILE 31 -0.494 -0.375 -1.217 224 H GLU 32 H GLU 32 2.071 -4.122 -4.771 225 HA GLU 32 HA GLU 32 -0.599 -4.032 -5.889 226 HB2 GLU 32 1HB GLU 32 1.941 -5.399 -6.783 227 HB3 GLU 32 2HB GLU 32 0.418 -5.516 -7.654 228 HG2 GLU 32 1HG GLU 32 1.494 -2.818 -7.020 229 HG3 GLU 32 2HG GLU 32 2.238 -3.751 -8.317 230 H GLY 33 H GLY 33 1.602 -6.542 -4.645 231 HA2 GLY 33 1HA GLY 33 0.764 -8.247 -3.154 232 HA3 GLY 33 2HA GLY 33 -0.780 -8.150 -3.988 233 H LYS 34 H LYS 34 2.468 -8.386 -5.379 234 HA LYS 34 HA LYS 34 1.585 -10.686 -6.936 235 HB2 LYS 34 1HB LYS 34 4.278 -9.354 -7.121 236 HB3 LYS 34 2HB LYS 34 3.439 -10.293 -8.348 237 HG2 LYS 34 1HG LYS 34 2.619 -7.574 -7.346 238 HG3 LYS 34 2HG LYS 34 3.429 -7.917 -8.876 239 HD2 LYS 34 1HD LYS 34 0.885 -9.339 -8.271 240 HD3 LYS 34 2HD LYS 34 0.805 -7.637 -8.733 241 HE2 LYS 34 1HE LYS 34 1.584 -8.036 -10.853 242 HE3 LYS 34 2HE LYS 34 2.472 -9.481 -10.371 243 HZ1 LYS 34 1HZ LYS 34 0.701 -10.785 -10.721 244 HZ2 LYS 34 2HZ LYS 34 0.148 -9.515 -11.692 245 HZ3 LYS 34 3HZ LYS 34 -0.403 -9.664 -10.099 246 H ASP 35 H ASP 35 4.698 -9.935 -5.374 247 HA ASP 35 HA ASP 35 4.868 -12.757 -4.564 248 HB2 ASP 35 1HB ASP 35 7.188 -10.845 -4.550 249 HB3 ASP 35 2HB ASP 35 7.205 -12.602 -4.674 250 H VAL 36 H VAL 36 3.278 -10.973 -3.061 251 HA VAL 36 HA VAL 36 4.861 -10.303 -0.701 252 HB VAL 36 HB VAL 36 1.901 -9.877 -1.090 253 HG11 VAL 36 1HG1 VAL 36 3.284 -7.935 0.517 254 HG12 VAL 36 2HG1 VAL 36 1.929 -8.982 0.944 255 HG13 VAL 36 3HG1 VAL 36 3.585 -9.563 1.124 256 HG21 VAL 36 1HG2 VAL 36 2.309 -7.739 -1.979 257 HG22 VAL 36 2HG2 VAL 36 4.023 -7.803 -1.569 258 HG23 VAL 36 3HG2 VAL 36 3.388 -8.815 -2.866 259 H PHE 37 H PHE 37 4.065 -13.098 -1.647 260 HA PHE 37 HA PHE 37 2.187 -14.374 -0.190 261 HB2 PHE 37 1HB PHE 37 4.938 -15.563 -0.216 262 HB3 PHE 37 2HB PHE 37 3.385 -16.349 -0.475 263 HD1 PHE 37 1HD PHE 37 2.145 -15.870 -2.630 264 HD2 PHE 37 2HD PHE 37 6.225 -14.826 -2.015 265 HE1 PHE 37 1HE PHE 37 2.466 -15.704 -5.064 266 HE2 PHE 37 2HE PHE 37 6.552 -14.657 -4.448 267 HZ PHE 37 HZ PHE 37 4.671 -15.096 -5.976 268 H ARG 38 H ARG 38 2.232 -15.584 1.829 269 HA ARG 38 HA ARG 38 2.866 -13.987 4.034 270 HB2 ARG 38 1HB ARG 38 1.201 -15.956 3.832 271 HB3 ARG 38 2HB ARG 38 2.582 -16.973 4.222 272 HG2 ARG 38 1HG ARG 38 2.893 -15.631 6.300 273 HG3 ARG 38 2HG ARG 38 1.381 -14.803 5.922 274 HD2 ARG 38 1HD ARG 38 0.100 -16.661 6.344 275 HD3 ARG 38 2HD ARG 38 1.411 -17.780 5.973 276 HE ARG 38 HE ARG 38 2.336 -16.669 8.194 277 HH11 ARG 38 1HH1 ARG 38 -0.858 -17.827 7.434 278 HH12 ARG 38 2HH1 ARG 38 -1.234 -18.254 9.071 279 HH21 ARG 38 1HH2 ARG 38 1.853 -17.227 10.352 280 HH22 ARG 38 2HH2 ARG 38 0.308 -17.912 10.730 281 H GLU 39 H GLU 39 4.567 -13.890 5.417 282 HA GLU 39 HA GLU 39 6.687 -14.123 6.208 283 HB2 GLU 39 1HB GLU 39 6.348 -16.914 5.101 284 HB3 GLU 39 2HB GLU 39 7.716 -16.402 6.080 285 HG2 GLU 39 1HG GLU 39 6.469 -16.258 7.999 286 HG3 GLU 39 2HG GLU 39 4.958 -16.008 7.127 287 H ALA 40 H ALA 40 6.296 -12.996 3.624 288 HA ALA 40 HA ALA 40 8.840 -13.741 2.333 289 HB1 ALA 40 1HB ALA 40 7.870 -13.088 0.186 290 HB2 ALA 40 2HB ALA 40 6.949 -14.391 0.938 291 HB3 ALA 40 3HB ALA 40 6.336 -12.738 0.983 292 H THR 41 H THR 41 10.177 -12.094 1.644 293 HA THR 41 HA THR 41 9.736 -9.527 2.921 294 HB THR 41 HB THR 41 12.118 -10.398 1.278 295 HG1 THR 41 1HG THR 41 12.583 -11.622 2.931 296 HG21 THR 41 1HG2 THR 41 12.910 -8.352 1.661 297 HG22 THR 41 2HG2 THR 41 12.719 -8.586 3.398 298 HG23 THR 41 3HG2 THR 41 11.392 -7.922 2.446 299 H THR 42 H THR 42 8.268 -8.352 1.783 300 HA THR 42 HA THR 42 8.897 -7.817 -1.047 301 HB THR 42 HB THR 42 6.761 -8.988 -0.833 302 HG1 THR 42 1HG THR 42 6.867 -6.316 -1.685 303 HG21 THR 42 1HG2 THR 42 5.288 -8.573 0.792 304 HG22 THR 42 2HG2 THR 42 5.228 -6.860 0.376 305 HG23 THR 42 3HG2 THR 42 6.463 -7.455 1.484 306 H ASP 43 H ASP 43 8.663 -5.686 -1.805 307 HA ASP 43 HA ASP 43 8.055 -3.575 0.093 308 HB2 ASP 43 1HB ASP 43 10.205 -2.395 -0.357 309 HB3 ASP 43 2HB ASP 43 10.407 -3.895 0.543 310 H PHE 44 H PHE 44 7.651 -1.554 -0.889 311 HA PHE 44 HA PHE 44 7.323 -1.694 -3.814 312 HB2 PHE 44 1HB PHE 44 5.416 -0.121 -3.516 313 HB3 PHE 44 2HB PHE 44 5.159 -1.677 -2.734 314 HD1 PHE 44 2HD PHE 44 5.180 -1.872 -0.310 315 HD2 PHE 44 1HD PHE 44 5.671 1.893 -2.234 316 HE1 PHE 44 2HE PHE 44 4.716 -0.728 1.818 317 HE2 PHE 44 1HE PHE 44 5.208 3.043 -0.109 318 HZ PHE 44 HZ PHE 44 4.729 1.733 1.921 319 H THR 45 H THR 45 7.044 0.646 -4.728 320 HA THR 45 HA THR 45 9.099 2.378 -3.517 321 HB THR 45 HB THR 45 8.687 2.020 -6.489 322 HG1 THR 45 1HG THR 45 10.760 0.979 -4.828 323 HG21 THR 45 1HG2 THR 45 9.647 4.116 -6.209 324 HG22 THR 45 2HG2 THR 45 11.061 3.078 -6.398 325 HG23 THR 45 3HG2 THR 45 10.570 3.616 -4.792 326 H VAL 46 H VAL 46 8.513 4.431 -3.202 327 HA VAL 46 HA VAL 46 5.981 5.339 -4.398 328 HB VAL 46 HB VAL 46 7.373 6.248 -1.878 329 HG11 VAL 46 1HG1 VAL 46 6.288 8.176 -2.059 330 HG12 VAL 46 2HG1 VAL 46 5.538 7.649 -3.567 331 HG13 VAL 46 3HG1 VAL 46 4.763 7.292 -2.024 332 HG21 VAL 46 1HG2 VAL 46 4.851 5.490 -1.191 333 HG22 VAL 46 2HG2 VAL 46 5.225 4.345 -2.479 334 HG23 VAL 46 3HG2 VAL 46 6.278 4.461 -1.070 335 H ASP 47 H ASP 47 6.284 6.599 -6.110 336 HA ASP 47 HA ASP 47 8.694 8.203 -6.365 337 HB2 ASP 47 1HB ASP 47 7.395 6.819 -8.220 338 HB3 ASP 47 2HB ASP 47 6.487 8.320 -8.372 339 H SER 48 H SER 48 8.818 10.267 -5.804 340 HA SER 48 HA SER 48 6.356 11.874 -5.736 341 HB2 SER 48 1HB SER 48 8.523 11.948 -3.623 342 HB3 SER 48 2HB SER 48 7.044 12.908 -3.641 343 HG SER 48 HG SER 48 7.108 10.072 -3.568 344 H ARG 49 H ARG 49 6.519 13.768 -6.751 345 HA ARG 49 HA ARG 49 9.206 14.685 -7.528 346 HB2 ARG 49 1HB ARG 49 6.606 14.588 -8.920 347 HB3 ARG 49 2HB ARG 49 7.527 16.068 -9.157 348 HG2 ARG 49 1HG ARG 49 9.292 14.953 -10.183 349 HG3 ARG 49 2HG ARG 49 8.798 13.386 -9.540 350 HD2 ARG 49 1HD ARG 49 6.799 13.450 -10.967 351 HD3 ARG 49 2HD ARG 49 7.329 14.998 -11.624 352 HE ARG 49 HE ARG 49 9.216 12.822 -11.900 353 HH11 ARG 49 1HH1 ARG 49 6.607 14.622 -13.339 354 HH12 ARG 49 2HH1 ARG 49 7.006 14.158 -14.960 355 HH21 ARG 49 1HH2 ARG 49 9.752 12.204 -14.029 356 HH22 ARG 49 2HH2 ARG 49 8.795 12.781 -15.351 357 HA PRO 50 HA PRO 50 7.040 18.807 -6.398 358 HB2 PRO 50 1HB PRO 50 4.394 18.764 -5.790 359 HB3 PRO 50 2HB PRO 50 4.997 18.942 -7.442 360 HG2 PRO 50 1HG PRO 50 3.978 16.495 -6.051 361 HG3 PRO 50 2HG PRO 50 3.657 17.060 -7.701 362 HD2 PRO 50 1HD PRO 50 5.450 15.106 -7.154 363 HD3 PRO 50 2HD PRO 50 5.654 16.238 -8.507 364 H LEU 51 H LEU 51 7.451 16.183 -4.693 365 HA LEU 51 HA LEU 51 6.665 17.424 -2.138 366 HB2 LEU 51 1HB LEU 51 7.069 14.476 -2.465 367 HB3 LEU 51 2HB LEU 51 6.195 15.342 -1.203 368 HG LEU 51 HG LEU 51 5.294 14.885 -4.045 369 HD11 LEU 51 1HD1 LEU 51 3.558 13.547 -3.057 370 HD12 LEU 51 2HD1 LEU 51 4.125 13.938 -1.434 371 HD13 LEU 51 3HD1 LEU 51 5.125 12.956 -2.504 372 HD21 LEU 51 1HD2 LEU 51 3.601 16.154 -1.939 373 HD22 LEU 51 2HD2 LEU 51 3.469 16.244 -3.696 374 HD23 LEU 51 3HD2 LEU 51 4.736 17.143 -2.859 375 H THR 52 H THR 52 9.032 15.335 -3.752 376 HA THR 52 HA THR 52 11.109 16.449 -2.015 377 HB THR 52 HB THR 52 10.322 14.190 -1.133 378 HG1 THR 52 1HG THR 52 13.053 14.270 -1.928 379 HG21 THR 52 1HG2 THR 52 11.047 12.205 -2.263 380 HG22 THR 52 2HG2 THR 52 11.863 13.149 -3.508 381 HG23 THR 52 3HG2 THR 52 10.103 13.160 -3.405 382 H GLN 53 H GLN 53 13.246 16.297 -2.882 383 HA GLN 53 HA GLN 53 13.325 15.713 -5.768 384 HB2 GLN 53 1HB GLN 53 14.738 17.961 -4.321 385 HB3 GLN 53 2HB GLN 53 14.901 17.585 -6.032 386 HG2 GLN 53 1HG GLN 53 13.368 19.244 -6.171 387 HG3 GLN 53 2HG GLN 53 12.277 17.873 -5.976 388 HE21 GLN 53 1HE2 GLN 53 10.700 18.250 -4.612 389 HE22 GLN 53 2HE2 GLN 53 10.780 19.243 -3.201 390 H VAL 54 H VAL 54 15.098 15.831 -2.726 391 HA VAL 54 HA VAL 54 17.077 13.981 -3.890 392 HB VAL 54 HB VAL 54 18.764 14.870 -2.386 393 HG11 VAL 54 1HG1 VAL 54 17.461 16.431 -4.454 394 HG12 VAL 54 2HG1 VAL 54 18.326 17.446 -3.298 395 HG13 VAL 54 3HG1 VAL 54 19.178 16.161 -4.156 396 HG21 VAL 54 1HG2 VAL 54 16.582 15.832 -0.939 397 HG22 VAL 54 2HG2 VAL 54 18.291 16.078 -0.577 398 HG23 VAL 54 3HG2 VAL 54 17.412 17.271 -1.533 399 H GLY 55 H GLY 55 14.682 13.100 -2.726 400 HA2 GLY 55 1HA GLY 55 14.010 11.444 -1.278 401 HA3 GLY 55 2HA GLY 55 15.692 11.268 -0.800 402 H GLY 56 H GLY 56 13.299 11.187 0.866 403 HA2 GLY 56 1HA GLY 56 14.141 13.225 2.797 404 HA3 GLY 56 2HA GLY 56 12.445 13.181 2.337 405 H ASP 57 H ASP 57 12.629 12.907 4.861 406 HA ASP 57 HA ASP 57 12.341 10.027 5.367 407 HB2 ASP 57 1HB ASP 57 13.426 10.240 7.528 408 HB3 ASP 57 2HB ASP 57 14.519 10.800 6.265 409 H HIS 58 H HIS 58 10.250 11.738 4.748 410 HA HIS 58 HA HIS 58 8.905 12.068 7.350 411 HB2 HIS 58 1HB HIS 58 8.885 13.722 4.876 412 HB3 HIS 58 2HB HIS 58 7.378 13.598 5.779 413 HD1 HIS 58 1HD HIS 58 7.105 15.326 7.518 414 HD2 HIS 58 2HD HIS 58 11.111 14.565 6.722 415 HE1 HIS 58 1HE HIS 58 8.394 16.942 8.950 416 H ILE 59 H ILE 59 9.098 9.660 5.652 417 HA ILE 59 HA ILE 59 6.299 9.342 4.820 418 HB ILE 59 HB ILE 59 8.733 7.672 4.188 419 HG12 ILE 59 1HG1 ILE 59 8.542 9.824 2.975 420 HG13 ILE 59 2HG1 ILE 59 8.387 8.436 1.904 421 HG21 ILE 59 1HG2 ILE 59 7.176 6.021 4.134 422 HG22 ILE 59 2HG2 ILE 59 5.838 7.139 3.875 423 HG23 ILE 59 3HG2 ILE 59 6.888 6.695 2.530 424 HD11 ILE 59 1HD1 ILE 59 5.791 8.929 2.569 425 HD12 ILE 59 2HD1 ILE 59 6.482 10.552 2.524 426 HD13 ILE 59 3HD1 ILE 59 6.601 9.503 1.112 427 H LYS 60 H LYS 60 5.049 7.619 5.559 428 HA LYS 60 HA LYS 60 6.094 5.767 7.506 429 HB2 LYS 60 1HB LYS 60 5.681 7.785 8.874 430 HB3 LYS 60 2HB LYS 60 4.003 7.784 8.346 431 HG2 LYS 60 1HG LYS 60 3.844 6.767 10.395 432 HG3 LYS 60 2HG LYS 60 3.982 5.371 9.324 433 HD2 LYS 60 1HD LYS 60 6.380 5.247 9.797 434 HD3 LYS 60 2HD LYS 60 6.245 6.649 10.861 435 HE2 LYS 60 1HE LYS 60 4.646 4.139 11.286 436 HE3 LYS 60 2HE LYS 60 6.258 4.356 11.965 437 HZ1 LYS 60 1HZ LYS 60 4.225 6.426 12.423 438 HZ2 LYS 60 2HZ LYS 60 5.540 5.981 13.389 439 HZ3 LYS 60 3HZ LYS 60 4.162 5.001 13.334 440 H ALA 61 H ALA 61 4.947 3.912 7.527 441 HA ALA 61 HA ALA 61 2.280 3.926 6.277 442 HB1 ALA 61 1HB ALA 61 3.190 2.831 4.557 443 HB2 ALA 61 2HB ALA 61 4.681 2.500 5.441 444 HB3 ALA 61 3HB ALA 61 3.280 1.449 5.649 445 H HIS 62 H HIS 62 0.996 1.965 6.803 446 HA HIS 62 HA HIS 62 1.757 0.519 9.196 447 HB2 HIS 62 1HB HIS 62 0.812 2.455 10.240 448 HB3 HIS 62 2HB HIS 62 -0.569 2.445 9.147 449 HD1 HIS 62 1HD HIS 62 0.351 1.492 12.462 450 HD2 HIS 62 2HD HIS 62 -2.170 -0.071 9.553 451 HE1 HIS 62 1HE HIS 62 -1.219 -0.043 13.688 452 H ILE 63 H ILE 63 1.379 -1.499 8.560 453 HA ILE 63 HA ILE 63 -0.776 -2.113 6.725 454 HB ILE 63 HB ILE 63 1.246 -3.929 8.042 455 HG12 ILE 63 1HG1 ILE 63 1.193 -3.206 5.133 456 HG13 ILE 63 2HG1 ILE 63 1.925 -2.100 6.291 457 HG21 ILE 63 1HG2 ILE 63 0.348 -5.207 5.795 458 HG22 ILE 63 2HG2 ILE 63 -0.177 -5.546 7.444 459 HG23 ILE 63 3HG2 ILE 63 -1.122 -4.463 6.422 460 HD11 ILE 63 1HD1 ILE 63 3.704 -3.372 5.519 461 HD12 ILE 63 2HD1 ILE 63 3.288 -4.133 7.056 462 HD13 ILE 63 3HD1 ILE 63 2.770 -4.868 5.539 463 H ALA 64 H ALA 64 -2.543 -3.420 7.153 464 HA ALA 64 HA ALA 64 -3.013 -4.147 9.963 465 HB1 ALA 64 1HB ALA 64 -4.308 -2.247 9.904 466 HB2 ALA 64 2HB ALA 64 -4.720 -2.449 8.201 467 HB3 ALA 64 3HB ALA 64 -5.478 -3.475 9.419 468 H ASN 65 H ASN 65 -3.114 -6.299 9.938 469 HA ASN 65 HA ASN 65 -3.833 -7.849 7.688 470 HB2 ASN 65 1HB ASN 65 -3.511 -8.503 10.613 471 HB3 ASN 65 2HB ASN 65 -3.973 -9.724 9.430 472 HD21 ASN 65 1HD2 ASN 65 -1.655 -9.854 10.973 473 HD22 ASN 65 2HD2 ASN 65 -0.288 -9.726 9.924 474 HA PRO 66 HA PRO 66 -8.214 -8.048 7.861 475 HB2 PRO 66 1HB PRO 66 -8.668 -10.601 7.056 476 HB3 PRO 66 2HB PRO 66 -8.116 -9.331 5.957 477 HG2 PRO 66 1HG PRO 66 -6.534 -11.473 7.325 478 HG3 PRO 66 2HG PRO 66 -6.424 -10.897 5.652 479 HD2 PRO 66 1HD PRO 66 -4.688 -10.118 7.579 480 HD3 PRO 66 2HD PRO 66 -5.162 -9.058 6.236 481 H SER 67 H SER 67 -6.298 -9.656 10.044 482 HA SER 67 HA SER 67 -8.593 -10.861 11.437 483 HB2 SER 67 1HB SER 67 -5.688 -11.522 11.325 484 HB3 SER 67 2HB SER 67 -6.548 -11.851 12.829 485 HG SER 67 HG SER 67 -6.879 -12.988 10.295 486 H GLY 68 H GLY 68 -6.095 -8.458 11.636 487 HA2 GLY 68 1HA GLY 68 -6.933 -6.601 13.196 488 HA3 GLY 68 2HA GLY 68 -6.858 -7.861 14.419 489 H ALA 69 H ALA 69 -4.425 -9.023 13.171 490 HA ALA 69 HA ALA 69 -2.497 -7.697 14.718 491 HB1 ALA 69 1HB ALA 69 -2.623 -10.029 13.091 492 HB2 ALA 69 2HB ALA 69 -1.172 -9.121 12.664 493 HB3 ALA 69 3HB ALA 69 -1.446 -9.611 14.336 494 H SER 70 H SER 70 -0.320 -7.008 13.640 495 HA SER 70 HA SER 70 -0.803 -5.352 11.272 496 HB2 SER 70 1HB SER 70 0.408 -3.454 12.400 497 HB3 SER 70 2HB SER 70 -1.178 -3.813 13.082 498 HG SER 70 HG SER 70 -0.026 -5.082 14.682 499 H THR 71 H THR 71 0.854 -5.333 9.874 500 HA THR 71 HA THR 71 3.252 -6.834 10.600 501 HB THR 71 HB THR 71 2.381 -5.833 7.882 502 HG1 THR 71 1HG THR 71 2.064 -8.343 9.188 503 HG21 THR 71 1HG2 THR 71 4.471 -6.354 7.286 504 HG22 THR 71 2HG2 THR 71 4.050 -8.037 7.600 505 HG23 THR 71 3HG2 THR 71 4.814 -7.069 8.860 506 H GLU 72 H GLU 72 4.887 -5.697 11.411 507 HA GLU 72 HA GLU 72 5.225 -2.951 11.320 508 HB2 GLU 72 1HB GLU 72 6.441 -4.799 12.717 509 HB3 GLU 72 2HB GLU 72 7.611 -4.760 11.405 510 HG2 GLU 72 1HG GLU 72 8.140 -2.492 11.821 511 HG3 GLU 72 2HG GLU 72 6.772 -2.305 12.918 512 H CYS 73 H CYS 73 5.900 -1.551 9.830 513 HA CYS 73 HA CYS 73 7.032 -2.627 7.339 514 HB2 CYS 73 1HB CYS 73 6.220 -0.591 6.259 515 HB3 CYS 73 2HB CYS 73 4.907 -1.409 7.097 516 HG CYS 73 HG CYS 73 5.749 0.495 9.386 517 H PHE 74 H PHE 74 8.833 -1.661 6.384 518 HA PHE 74 HA PHE 74 10.356 0.157 8.132 519 HB2 PHE 74 1HB PHE 74 11.665 -1.856 6.319 520 HB3 PHE 74 2HB PHE 74 12.360 -0.997 7.689 521 HD1 PHE 74 2HD PHE 74 10.385 -1.443 9.786 522 HD2 PHE 74 1HD PHE 74 11.858 -4.103 6.808 523 HE1 PHE 74 2HE PHE 74 9.871 -3.356 11.246 524 HE2 PHE 74 1HE PHE 74 11.346 -6.020 8.262 525 HZ PHE 74 HZ PHE 74 10.352 -5.648 10.485 526 H VAL 75 H VAL 75 10.306 2.088 7.174 527 HA VAL 75 HA VAL 75 10.222 2.345 4.294 528 HB VAL 75 HB VAL 75 10.139 4.774 4.722 529 HG11 VAL 75 1HG1 VAL 75 8.066 4.359 6.503 530 HG12 VAL 75 2HG1 VAL 75 7.965 4.279 4.743 531 HG13 VAL 75 3HG1 VAL 75 8.231 2.808 5.679 532 HG21 VAL 75 1HG2 VAL 75 9.941 5.565 7.059 533 HG22 VAL 75 2HG2 VAL 75 10.386 3.951 7.614 534 HG23 VAL 75 3HG2 VAL 75 11.536 4.913 6.685 535 H THR 76 H THR 76 11.862 2.878 2.973 536 HA THR 76 HA THR 76 14.416 3.716 4.161 537 HB THR 76 HB THR 76 14.135 1.573 2.044 538 HG1 THR 76 1HG THR 76 15.327 0.459 3.931 539 HG21 THR 76 1HG2 THR 76 16.157 3.230 2.055 540 HG22 THR 76 2HG2 THR 76 16.441 1.498 1.877 541 HG23 THR 76 3HG2 THR 76 16.684 2.276 3.440 542 H ASP 77 H ASP 77 14.802 5.666 3.346 543 HA ASP 77 HA ASP 77 13.806 6.432 0.740 544 HB2 ASP 77 1HB ASP 77 14.810 8.644 1.294 545 HB3 ASP 77 2HB ASP 77 13.677 8.069 2.514 546 H ASN 78 H ASN 78 14.926 6.498 -1.108 547 HA ASN 78 HA ASN 78 17.625 5.463 -1.130 548 HB2 ASN 78 1HB ASN 78 15.810 6.328 -3.392 549 HB3 ASN 78 2HB ASN 78 17.375 5.547 -3.597 550 HD21 ASN 78 1HD2 ASN 78 14.055 5.115 -3.033 551 HD22 ASN 78 2HD2 ASN 78 14.068 3.397 -2.847 552 H ALA 79 H ALA 79 16.808 8.267 -0.167 553 HA ALA 79 HA ALA 79 17.507 10.446 -0.372 554 HB1 ALA 79 1HB ALA 79 19.642 8.694 0.095 555 HB2 ALA 79 2HB ALA 79 20.232 9.875 -1.075 556 HB3 ALA 79 3HB ALA 79 19.562 10.418 0.464 557 H ASP 80 H ASP 80 16.557 9.212 -2.881 558 HA ASP 80 HA ASP 80 18.052 10.896 -4.784 559 HB2 ASP 80 1HB ASP 80 16.870 8.161 -5.092 560 HB3 ASP 80 2HB ASP 80 16.977 9.220 -6.496 561 H GLY 81 H GLY 81 14.919 9.799 -3.655 562 HA2 GLY 81 1HA GLY 81 13.429 11.979 -3.871 563 HA3 GLY 81 2HA GLY 81 13.526 11.513 -5.563 564 H THR 82 H THR 82 13.664 8.634 -4.272 565 HA THR 82 HA THR 82 10.738 8.350 -4.045 566 HB THR 82 HB THR 82 10.940 6.115 -5.010 567 HG1 THR 82 1HG THR 82 13.580 6.547 -5.812 568 HG21 THR 82 1HG2 THR 82 11.800 8.537 -6.461 569 HG22 THR 82 2HG2 THR 82 10.477 7.421 -6.800 570 HG23 THR 82 3HG2 THR 82 12.126 7.005 -7.270 571 H TYR 83 H TYR 83 10.016 6.464 -2.778 572 HA TYR 83 HA TYR 83 11.868 5.898 -0.556 573 HB2 TYR 83 1HB TYR 83 8.853 6.034 -0.392 574 HB3 TYR 83 2HB TYR 83 9.978 5.841 0.948 575 HD1 TYR 83 1HD TYR 83 8.572 8.200 -1.484 576 HD2 TYR 83 2HD TYR 83 11.212 7.732 1.819 577 HE1 TYR 83 1HE TYR 83 8.652 10.642 -1.210 578 HE2 TYR 83 2HE TYR 83 11.298 10.173 2.103 579 HH TYR 83 HH TYR 83 10.195 12.335 -0.231 580 H GLN 84 H GLN 84 11.922 3.822 0.289 581 HA GLN 84 HA GLN 84 10.429 1.775 -1.210 582 HB2 GLN 84 1HB GLN 84 12.906 2.007 -1.815 583 HB3 GLN 84 2HB GLN 84 13.241 1.369 -0.211 584 HG2 GLN 84 1HG GLN 84 13.299 -0.562 -1.393 585 HG3 GLN 84 2HG GLN 84 11.580 -0.522 -1.006 586 HE21 GLN 84 1HE2 GLN 84 10.737 -1.536 -2.726 587 HE22 GLN 84 2HE2 GLN 84 10.901 -1.003 -4.361 588 H VAL 85 H VAL 85 8.974 1.068 0.227 589 HA VAL 85 HA VAL 85 9.815 0.609 3.001 590 HB VAL 85 HB VAL 85 7.032 0.626 1.823 591 HG11 VAL 85 1HG1 VAL 85 6.872 1.016 4.560 592 HG12 VAL 85 2HG1 VAL 85 6.477 -0.465 3.686 593 HG13 VAL 85 3HG1 VAL 85 8.085 -0.251 4.379 594 HG21 VAL 85 1HG2 VAL 85 7.482 2.848 1.782 595 HG22 VAL 85 2HG2 VAL 85 7.061 2.719 3.490 596 HG23 VAL 85 3HG2 VAL 85 8.754 2.727 2.997 597 H GLU 86 H GLU 86 10.122 -1.381 3.764 598 HA GLU 86 HA GLU 86 9.173 -3.649 2.140 599 HB2 GLU 86 1HB GLU 86 11.634 -3.408 2.193 600 HB3 GLU 86 2HB GLU 86 11.595 -3.537 3.946 601 HG2 GLU 86 1HG GLU 86 10.345 -5.793 3.407 602 HG3 GLU 86 2HG GLU 86 11.204 -5.629 1.877 603 H TYR 87 H TYR 87 8.047 -5.258 3.109 604 HA TYR 87 HA TYR 87 7.917 -5.436 6.003 605 HB2 TYR 87 1HB TYR 87 5.596 -5.053 6.228 606 HB3 TYR 87 2HB TYR 87 6.183 -3.729 5.228 607 HD1 TYR 87 2HD TYR 87 4.342 -6.932 5.173 608 HD2 TYR 87 1HD TYR 87 5.401 -3.429 3.003 609 HE1 TYR 87 2HE TYR 87 2.677 -7.501 3.455 610 HE2 TYR 87 1HE TYR 87 3.738 -3.987 1.279 611 HH TYR 87 HH TYR 87 2.147 -5.395 0.642 612 H THR 88 H THR 88 7.062 -7.404 6.756 613 HA THR 88 HA THR 88 6.675 -9.449 4.668 614 HB THR 88 HB THR 88 7.864 -9.984 7.389 615 HG1 THR 88 1HG THR 88 9.099 -8.553 5.806 616 HG21 THR 88 1HG2 THR 88 8.282 -11.646 4.943 617 HG22 THR 88 2HG2 THR 88 6.764 -11.784 5.829 618 HG23 THR 88 3HG2 THR 88 8.293 -12.123 6.640 619 HA PRO 89 HA PRO 89 2.737 -9.548 6.906 620 HB2 PRO 89 1HB PRO 89 1.399 -10.823 4.918 621 HB3 PRO 89 2HB PRO 89 1.694 -9.080 4.913 622 HG2 PRO 89 1HG PRO 89 3.171 -11.254 3.480 623 HG3 PRO 89 2HG PRO 89 2.670 -9.661 2.884 624 HD2 PRO 89 1HD PRO 89 5.200 -10.184 3.693 625 HD3 PRO 89 2HD PRO 89 4.447 -8.588 3.886 626 H PHE 90 H PHE 90 2.514 -11.035 8.446 627 HA PHE 90 HA PHE 90 3.298 -13.801 7.913 628 HB2 PHE 90 1HB PHE 90 2.875 -13.982 10.461 629 HB3 PHE 90 2HB PHE 90 4.285 -13.084 9.908 630 HD1 PHE 90 1HD PHE 90 0.856 -12.755 11.225 631 HD2 PHE 90 2HD PHE 90 4.525 -10.778 10.359 632 HE1 PHE 90 1HE PHE 90 0.092 -10.789 12.493 633 HE2 PHE 90 2HE PHE 90 3.768 -8.810 11.626 634 HZ PHE 90 HZ PHE 90 1.549 -8.814 12.696 635 H GLU 91 H GLU 91 0.908 -12.858 6.706 636 HA GLU 91 HA GLU 91 -0.897 -14.895 7.581 637 HB2 GLU 91 1HB GLU 91 -1.401 -12.047 8.304 638 HB3 GLU 91 2HB GLU 91 -2.771 -13.024 7.794 639 HG2 GLU 91 1HG GLU 91 -1.939 -14.714 9.547 640 HG3 GLU 91 2HG GLU 91 -1.007 -13.360 10.184 641 H LYS 92 H LYS 92 -1.945 -15.634 5.854 642 HA LYS 92 HA LYS 92 -1.699 -14.261 3.337 643 HB2 LYS 92 1HB LYS 92 -3.252 -16.784 3.926 644 HB3 LYS 92 2HB LYS 92 -2.669 -16.235 2.360 645 HG2 LYS 92 1HG LYS 92 -0.496 -16.838 2.803 646 HG3 LYS 92 2HG LYS 92 -0.712 -16.739 4.552 647 HD2 LYS 92 1HD LYS 92 -2.102 -18.810 2.871 648 HD3 LYS 92 2HD LYS 92 -0.493 -19.068 3.549 649 HE2 LYS 92 1HE LYS 92 -1.820 -19.991 5.184 650 HE3 LYS 92 2HE LYS 92 -1.639 -18.343 5.782 651 HZ1 LYS 92 1HZ LYS 92 -3.994 -19.640 5.368 652 HZ2 LYS 92 2HZ LYS 92 -3.871 -18.635 4.013 653 HZ3 LYS 92 3HZ LYS 92 -3.808 -17.970 5.567 654 H GLY 93 H GLY 93 -2.948 -12.428 3.348 655 HA2 GLY 93 1HA GLY 93 -5.691 -12.706 2.727 656 HA3 GLY 93 2HA GLY 93 -5.525 -12.166 4.390 657 H LEU 94 H LEU 94 -6.847 -10.463 2.950 658 HA LEU 94 HA LEU 94 -5.092 -8.559 1.644 659 HB2 LEU 94 1HB LEU 94 -7.148 -8.782 0.561 660 HB3 LEU 94 2HB LEU 94 -8.051 -8.753 2.074 661 HG LEU 94 HG LEU 94 -7.432 -6.329 2.287 662 HD11 LEU 94 1HD1 LEU 94 -6.483 -5.144 0.517 663 HD12 LEU 94 2HD1 LEU 94 -6.730 -6.465 -0.625 664 HD13 LEU 94 3HD1 LEU 94 -5.498 -6.603 0.630 665 HD21 LEU 94 1HD2 LEU 94 -9.372 -7.593 0.618 666 HD22 LEU 94 2HD2 LEU 94 -8.869 -6.077 -0.130 667 HD23 LEU 94 3HD2 LEU 94 -9.498 -6.082 1.519 668 H HIS 95 H HIS 95 -4.019 -7.073 2.747 669 HA HIS 95 HA HIS 95 -5.059 -6.212 5.358 670 HB2 HIS 95 1HB HIS 95 -2.303 -5.498 4.495 671 HB3 HIS 95 2HB HIS 95 -2.904 -5.935 6.092 672 HD2 HIS 95 2HD HIS 95 -0.431 -7.376 3.962 673 HE1 HIS 95 1HE HIS 95 -2.665 -10.787 5.133 674 HE2 HIS 95 2HE HIS 95 -0.479 -9.951 4.201 675 H VAL 96 H VAL 96 -4.812 -3.944 5.943 676 HA VAL 96 HA VAL 96 -5.197 -2.195 3.607 677 HB VAL 96 HB VAL 96 -6.140 -1.814 6.452 678 HG11 VAL 96 1HG1 VAL 96 -5.516 0.223 4.919 679 HG12 VAL 96 2HG1 VAL 96 -7.070 -0.142 4.167 680 HG13 VAL 96 3HG1 VAL 96 -6.989 0.241 5.887 681 HG21 VAL 96 1HG2 VAL 96 -7.475 -3.492 5.466 682 HG22 VAL 96 2HG2 VAL 96 -8.407 -2.001 5.329 683 HG23 VAL 96 3HG2 VAL 96 -7.549 -2.637 3.926 684 H VAL 97 H VAL 97 -3.375 -1.153 3.122 685 HA VAL 97 HA VAL 97 -1.536 -0.347 5.241 686 HB VAL 97 HB VAL 97 -1.259 -0.207 2.236 687 HG11 VAL 97 1HG1 VAL 97 0.148 1.201 4.259 688 HG12 VAL 97 2HG1 VAL 97 1.234 -0.013 3.581 689 HG13 VAL 97 3HG1 VAL 97 0.459 1.167 2.523 690 HG21 VAL 97 1HG2 VAL 97 0.683 -1.883 3.166 691 HG22 VAL 97 2HG2 VAL 97 -0.659 -2.248 4.250 692 HG23 VAL 97 3HG2 VAL 97 -0.869 -2.401 2.506 693 H GLU 98 H GLU 98 -1.642 1.609 6.107 694 HA GLU 98 HA GLU 98 -3.029 3.739 4.642 695 HB2 GLU 98 1HB GLU 98 -2.522 3.201 7.542 696 HB3 GLU 98 2HB GLU 98 -2.812 4.852 7.011 697 HG2 GLU 98 1HG GLU 98 -4.987 4.405 6.370 698 HG3 GLU 98 2HG GLU 98 -4.697 2.672 6.230 699 H VAL 99 H VAL 99 -1.757 5.051 3.522 700 HA VAL 99 HA VAL 99 0.956 5.602 4.512 701 HB VAL 99 HB VAL 99 -0.180 6.107 1.758 702 HG11 VAL 99 1HG1 VAL 99 2.625 5.954 1.723 703 HG12 VAL 99 2HG1 VAL 99 1.616 7.375 1.447 704 HG13 VAL 99 3HG1 VAL 99 2.202 7.010 3.070 705 HG21 VAL 99 1HG2 VAL 99 0.988 3.732 3.004 706 HG22 VAL 99 2HG2 VAL 99 0.017 3.883 1.539 707 HG23 VAL 99 3HG2 VAL 99 1.752 4.194 1.483 708 H THR 100 H THR 100 1.630 7.638 4.970 709 HA THR 100 HA THR 100 -0.132 9.895 4.373 710 HB THR 100 HB THR 100 0.192 10.752 6.726 711 HG1 THR 100 1HG THR 100 0.479 8.748 8.181 712 HG21 THR 100 1HG2 THR 100 -1.332 8.338 7.240 713 HG22 THR 100 2HG2 THR 100 -1.730 9.045 5.674 714 HG23 THR 100 3HG2 THR 100 -1.875 10.013 7.142 715 H TYR 101 H TYR 101 1.035 11.471 3.509 716 HA TYR 101 HA TYR 101 3.914 11.579 4.097 717 HB2 TYR 101 1HB TYR 101 3.145 11.264 1.709 718 HB3 TYR 101 2HB TYR 101 2.479 12.891 1.785 719 HD1 TYR 101 1HD TYR 101 4.311 14.639 2.836 720 HD2 TYR 101 2HD TYR 101 5.174 11.095 0.643 721 HE1 TYR 101 1HE TYR 101 6.500 15.568 2.206 722 HE2 TYR 101 2HE TYR 101 7.365 12.015 0.009 723 HH TYR 101 HH TYR 101 8.427 14.244 -0.228 724 H ASP 102 H ASP 102 4.520 13.086 5.488 725 HA ASP 102 HA ASP 102 4.613 15.007 6.703 726 HB2 ASP 102 1HB ASP 102 3.538 16.022 4.079 727 HB3 ASP 102 2HB ASP 102 3.851 17.109 5.429 728 H ASP 103 H ASP 103 2.521 13.423 7.403 729 HA ASP 103 HA ASP 103 0.584 13.434 8.597 730 HB2 ASP 103 1HB ASP 103 1.014 16.429 8.559 731 HB3 ASP 103 2HB ASP 103 -0.173 15.596 9.559 732 H VAL 104 H VAL 104 0.537 13.506 5.693 733 HA VAL 104 HA VAL 104 -2.250 14.314 5.367 734 HB VAL 104 HB VAL 104 -0.064 15.188 3.473 735 HG11 VAL 104 1HG1 VAL 104 -2.965 14.885 3.155 736 HG12 VAL 104 2HG1 VAL 104 -2.325 16.451 2.653 737 HG13 VAL 104 3HG1 VAL 104 -1.691 14.969 1.939 738 HG21 VAL 104 1HG2 VAL 104 -0.652 17.438 4.091 739 HG22 VAL 104 2HG2 VAL 104 -1.960 16.857 5.122 740 HG23 VAL 104 3HG2 VAL 104 -0.283 16.526 5.555 741 HA PRO 105 HA PRO 105 -2.110 10.250 3.528 742 HB2 PRO 105 1HB PRO 105 -4.774 10.094 3.030 743 HB3 PRO 105 2HB PRO 105 -4.081 9.847 4.637 744 HG2 PRO 105 1HG PRO 105 -5.380 12.288 3.490 745 HG3 PRO 105 2HG PRO 105 -5.572 11.570 5.100 746 HD2 PRO 105 1HD PRO 105 -3.989 13.718 4.642 747 HD3 PRO 105 2HD PRO 105 -3.622 12.510 5.890 748 H ILE 106 H ILE 106 -2.374 9.353 1.455 749 HA ILE 106 HA ILE 106 -2.447 11.337 -0.685 750 HB ILE 106 HB ILE 106 -1.740 9.339 -2.108 751 HG12 ILE 106 1HG1 ILE 106 -1.180 8.139 0.611 752 HG13 ILE 106 2HG1 ILE 106 -2.500 7.635 -0.438 753 HG21 ILE 106 1HG2 ILE 106 0.333 10.120 -1.866 754 HG22 ILE 106 2HG2 ILE 106 -0.311 11.134 -0.576 755 HG23 ILE 106 3HG2 ILE 106 0.427 9.579 -0.191 756 HD11 ILE 106 1HD1 ILE 106 -0.611 7.249 -2.176 757 HD12 ILE 106 2HD1 ILE 106 0.431 7.222 -0.753 758 HD13 ILE 106 3HD1 ILE 106 -0.893 6.066 -0.899 759 HA PRO 107 HA PRO 107 -6.424 10.268 -2.207 760 HB2 PRO 107 1HB PRO 107 -6.068 10.575 -4.881 761 HB3 PRO 107 2HB PRO 107 -6.148 11.939 -3.760 762 HG2 PRO 107 1HG PRO 107 -3.748 10.611 -4.957 763 HG3 PRO 107 2HG PRO 107 -4.076 12.339 -4.736 764 HD2 PRO 107 1HD PRO 107 -2.473 10.937 -3.065 765 HD3 PRO 107 2HD PRO 107 -3.467 12.300 -2.514 766 H ASN 108 H ASN 108 -3.843 8.260 -2.522 767 HA ASN 108 HA ASN 108 -5.253 6.319 -4.216 768 HB2 ASN 108 1HB ASN 108 -2.438 5.974 -3.220 769 HB3 ASN 108 2HB ASN 108 -3.193 5.292 -4.658 770 HD21 ASN 108 1HD2 ASN 108 -4.134 7.200 -6.091 771 HD22 ASN 108 2HD2 ASN 108 -2.968 8.418 -6.465 772 H SER 109 H SER 109 -4.271 6.971 -0.978 773 HA SER 109 HA SER 109 -4.695 4.221 -0.113 774 HB2 SER 109 1HB SER 109 -3.520 6.669 1.087 775 HB3 SER 109 2HB SER 109 -4.301 5.544 2.198 776 HG SER 109 HG SER 109 -2.494 4.575 0.280 777 HA PRO 110 HA PRO 110 -4.962 3.689 2.321 778 HB2 PRO 110 1HB PRO 110 -6.651 1.676 3.004 779 HB3 PRO 110 2HB PRO 110 -6.439 3.128 3.990 780 HG2 PRO 110 1HG PRO 110 -8.604 2.468 2.031 781 HG3 PRO 110 2HG PRO 110 -8.736 3.210 3.636 782 HD2 PRO 110 1HD PRO 110 -8.824 4.658 1.350 783 HD3 PRO 110 2HD PRO 110 -8.140 5.296 2.859 784 H PHE 111 H PHE 111 -4.104 1.620 1.739 785 HA PHE 111 HA PHE 111 -4.803 0.853 -1.000 786 HB2 PHE 111 1HB PHE 111 -2.339 0.421 0.683 787 HB3 PHE 111 2HB PHE 111 -2.590 -0.415 -0.846 788 HD1 PHE 111 1HD PHE 111 -3.350 1.272 -2.809 789 HD2 PHE 111 2HD PHE 111 -1.039 2.298 0.615 790 HE1 PHE 111 1HE PHE 111 -2.424 3.205 -4.017 791 HE2 PHE 111 2HE PHE 111 -0.109 4.232 -0.588 792 HZ PHE 111 HZ PHE 111 -0.802 4.689 -2.907 793 H LYS 112 H LYS 112 -4.583 -1.507 -1.527 794 HA LYS 112 HA LYS 112 -5.435 -3.235 0.689 795 HB2 LYS 112 1HB LYS 112 -6.896 -2.638 -1.838 796 HB3 LYS 112 2HB LYS 112 -6.948 -4.289 -1.233 797 HG2 LYS 112 1HG LYS 112 -8.060 -3.671 0.716 798 HG3 LYS 112 2HG LYS 112 -7.609 -1.973 0.546 799 HD2 LYS 112 1HD LYS 112 -9.021 -1.955 -1.561 800 HD3 LYS 112 2HD LYS 112 -9.632 -3.530 -1.050 801 HE2 LYS 112 1HE LYS 112 -10.116 -2.298 1.196 802 HE3 LYS 112 2HE LYS 112 -10.015 -0.843 0.206 803 HZ1 LYS 112 1HZ LYS 112 -12.287 -1.940 0.519 804 HZ2 LYS 112 2HZ LYS 112 -11.745 -3.100 -0.586 805 HZ3 LYS 112 3HZ LYS 112 -11.845 -1.476 -1.047 806 H VAL 113 H VAL 113 -3.741 -4.582 0.823 807 HA VAL 113 HA VAL 113 -2.626 -5.704 -1.653 808 HB VAL 113 HB VAL 113 -1.497 -5.712 1.149 809 HG11 VAL 113 1HG1 VAL 113 0.501 -6.321 -0.707 810 HG12 VAL 113 2HG1 VAL 113 -0.228 -7.409 0.476 811 HG13 VAL 113 3HG1 VAL 113 -0.882 -7.317 -1.160 812 HG21 VAL 113 1HG2 VAL 113 -1.320 -3.517 0.305 813 HG22 VAL 113 2HG2 VAL 113 0.259 -4.255 0.033 814 HG23 VAL 113 3HG2 VAL 113 -0.878 -4.087 -1.305 815 H ALA 114 H ALA 114 -3.779 -7.462 -2.205 816 HA ALA 114 HA ALA 114 -4.791 -9.291 -0.205 817 HB1 ALA 114 1HB ALA 114 -4.914 -9.360 -3.217 818 HB2 ALA 114 2HB ALA 114 -5.700 -10.524 -2.150 819 HB3 ALA 114 3HB ALA 114 -6.184 -8.829 -2.115 820 H VAL 115 H VAL 115 -2.957 -10.180 0.751 821 HA VAL 115 HA VAL 115 -0.818 -11.327 -0.729 822 HB VAL 115 HB VAL 115 -1.666 -11.744 2.139 823 HG11 VAL 115 1HG1 VAL 115 -0.371 -13.655 1.268 824 HG12 VAL 115 2HG1 VAL 115 0.923 -12.545 0.814 825 HG13 VAL 115 3HG1 VAL 115 0.497 -12.757 2.513 826 HG21 VAL 115 1HG2 VAL 115 0.583 -10.378 2.352 827 HG22 VAL 115 2HG2 VAL 115 0.130 -9.829 0.738 828 HG23 VAL 115 3HG2 VAL 115 -0.963 -9.567 2.098 829 H THR 116 H THR 116 -0.334 -13.490 -1.125 830 HA THR 116 HA THR 116 -2.460 -15.453 -0.648 831 HB THR 116 HB THR 116 -2.828 -14.641 -2.923 832 HG1 THR 116 1HG THR 116 -3.069 -16.923 -2.418 833 HG21 THR 116 1HG2 THR 116 -0.993 -15.284 -4.623 834 HG22 THR 116 2HG2 THR 116 0.088 -15.285 -3.229 835 HG23 THR 116 3HG2 THR 116 -0.777 -13.814 -3.674 836 H GLU 117 H GLU 117 -1.767 -17.633 -0.634 837 HA GLU 117 HA GLU 117 0.990 -17.945 0.180 838 HB2 GLU 117 1HB GLU 117 0.148 -20.411 0.425 839 HB3 GLU 117 2HB GLU 117 -0.375 -19.183 1.568 840 HG2 GLU 117 1HG GLU 117 -2.493 -18.985 0.523 841 HG3 GLU 117 2HG GLU 117 -1.974 -19.956 -0.854 842 H GLY 118 H GLY 118 2.573 -18.414 -1.186 843 HA2 GLY 118 1HA GLY 118 2.011 -20.215 -3.440 844 HA3 GLY 118 2HA GLY 118 2.772 -18.664 -3.760 845 H CYS 119 H CYS 119 4.429 -18.596 -1.441 846 HA CYS 119 HA CYS 119 6.650 -19.065 -1.081 847 HB2 CYS 119 1HB CYS 119 5.181 -20.780 0.220 848 HB3 CYS 119 2HB CYS 119 5.799 -21.941 -0.949 849 HG CYS 119 HG CYS 119 7.608 -20.151 1.332 850 H GLN 120 H GLN 120 6.188 -18.859 -3.810 851 HA GLN 120 HA GLN 120 7.019 -21.029 -5.361 852 HB2 GLN 120 1HB GLN 120 7.229 -18.055 -5.805 853 HB3 GLN 120 2HB GLN 120 7.722 -19.230 -7.017 854 HG2 GLN 120 1HG GLN 120 5.424 -20.164 -6.966 855 HG3 GLN 120 2HG GLN 120 4.965 -18.857 -5.875 856 HE21 GLN 120 1HE2 GLN 120 5.819 -16.638 -6.786 857 HE22 GLN 120 2HE2 GLN 120 5.375 -16.335 -8.428 858 HA PRO 121 HA PRO 121 11.305 -21.432 -4.444 859 HB2 PRO 121 1HB PRO 121 12.115 -22.660 -6.725 860 HB3 PRO 121 2HB PRO 121 11.177 -23.482 -5.473 861 HG2 PRO 121 1HG PRO 121 10.249 -22.277 -8.051 862 HG3 PRO 121 2HG PRO 121 9.788 -23.819 -7.307 863 HD2 PRO 121 1HD PRO 121 8.235 -21.606 -7.153 864 HD3 PRO 121 2HD PRO 121 8.298 -22.820 -5.859 865 H SER 122 H SER 122 12.315 -19.482 -4.393 866 HA SER 122 HA SER 122 12.565 -17.753 -6.630 867 HB2 SER 122 1HB SER 122 12.718 -17.193 -4.103 868 HB3 SER 122 2HB SER 122 14.408 -17.671 -4.253 869 HG SER 122 HG SER 122 14.502 -16.108 -6.021 870 H SER 123 H SER 123 13.965 -17.787 -8.258 871 HA SER 123 HA SER 123 16.298 -19.571 -8.048 872 HB2 SER 123 1HB SER 123 14.486 -18.842 -10.314 873 HB3 SER 123 2HB SER 123 16.159 -19.271 -10.671 874 HG SER 123 HG SER 123 15.829 -21.276 -9.856 875 H GLY 124 H GLY 124 18.308 -18.783 -8.324 876 HA2 GLY 124 1HA GLY 124 19.501 -16.975 -9.752 877 HA3 GLY 124 2HA GLY 124 18.545 -15.886 -8.758 878 HA PRO 125 HA PRO 125 21.605 -15.875 -5.628 879 HB2 PRO 125 1HB PRO 125 20.150 -15.944 -3.337 880 HB3 PRO 125 2HB PRO 125 20.221 -14.524 -4.387 881 HG2 PRO 125 1HG PRO 125 18.109 -16.638 -4.200 882 HG3 PRO 125 2HG PRO 125 17.923 -14.880 -4.341 883 HD2 PRO 125 1HD PRO 125 17.647 -16.548 -6.455 884 HD3 PRO 125 2HD PRO 125 18.282 -14.898 -6.617 885 H SER 126 H SER 126 19.870 -18.603 -6.270 886 HA SER 126 HA SER 126 19.945 -20.402 -4.309 887 HB2 SER 126 1HB SER 126 19.667 -20.711 -6.908 888 HB3 SER 126 2HB SER 126 21.355 -21.214 -6.825 889 HG SER 126 HG SER 126 19.072 -22.451 -5.823 890 H SER 127 H SER 127 22.860 -19.854 -6.295 891 HA SER 127 HA SER 127 24.588 -21.268 -4.578 892 HB2 SER 127 1HB SER 127 25.244 -19.105 -6.592 893 HB3 SER 127 2HB SER 127 26.411 -20.209 -5.863 894 HG SER 127 HG SER 127 24.755 -20.609 -7.961 895 H GLY 128 H GLY 128 24.476 -20.625 -2.462 896 HA2 GLY 128 1HA GLY 128 25.992 -18.306 -1.740 897 HA3 GLY 128 2HA GLY 128 24.279 -18.093 -1.415 Start of MODEL 16 1 H1 GLY 1 H GLY 1 4.778 -7.916 18.602 2 HA2 GLY 1 1HA GLY 1 2.532 -7.463 18.937 3 HA3 GLY 1 2HA GLY 1 2.762 -7.771 20.652 4 H SER 2 H SER 2 4.215 -6.006 21.724 5 HA SER 2 HA SER 2 2.797 -3.550 21.463 6 HB2 SER 2 1HB SER 2 5.266 -4.258 23.065 7 HB3 SER 2 2HB SER 2 4.389 -2.735 23.206 8 HG SER 2 HG SER 2 3.746 -4.293 24.778 9 H SER 3 H SER 3 3.638 -1.488 20.915 10 HA SER 3 HA SER 3 5.545 -1.601 18.730 11 HB2 SER 3 1HB SER 3 3.915 0.717 19.800 12 HB3 SER 3 2HB SER 3 4.883 0.740 18.325 13 HG SER 3 HG SER 3 2.380 -0.065 18.616 14 H GLY 4 H GLY 4 7.549 -0.700 18.700 15 HA2 GLY 4 1HA GLY 4 8.582 0.212 21.298 16 HA3 GLY 4 2HA GLY 4 9.551 -0.437 19.983 17 H SER 5 H SER 5 7.071 2.086 19.845 18 HA SER 5 HA SER 5 9.162 4.063 19.268 19 HB2 SER 5 1HB SER 5 8.046 4.869 17.315 20 HB3 SER 5 2HB SER 5 8.167 3.119 17.136 21 HG SER 5 HG SER 5 6.070 3.949 16.632 22 H SER 6 H SER 6 8.468 6.280 19.518 23 HA SER 6 HA SER 6 5.921 6.790 20.791 24 HB2 SER 6 1HB SER 6 8.525 7.110 22.297 25 HB3 SER 6 2HB SER 6 6.999 7.831 22.807 26 HG SER 6 HG SER 6 6.324 5.419 22.475 27 H GLY 7 H GLY 7 5.209 8.762 20.265 28 HA2 GLY 7 1HA GLY 7 6.289 11.184 20.266 29 HA3 GLY 7 2HA GLY 7 7.022 10.526 18.811 30 H HIS 8 H HIS 8 3.748 9.972 20.030 31 HA HIS 8 HA HIS 8 2.698 11.462 17.721 32 HB2 HIS 8 1HB HIS 8 1.859 8.721 18.675 33 HB3 HIS 8 2HB HIS 8 0.903 9.693 17.560 34 HD1 HIS 8 1HD HIS 8 1.229 8.913 15.249 35 HD2 HIS 8 2HD HIS 8 4.719 8.590 17.479 36 HE1 HIS 8 1HE HIS 8 2.954 7.991 13.668 37 H PHE 9 H PHE 9 1.970 13.217 18.829 38 HA PHE 9 HA PHE 9 0.453 12.904 21.274 39 HB2 PHE 9 1HB PHE 9 2.095 14.822 20.683 40 HB3 PHE 9 2HB PHE 9 0.751 15.482 19.757 41 HD1 PHE 9 1HD PHE 9 -1.223 16.337 20.864 42 HD2 PHE 9 2HD PHE 9 2.038 14.755 23.094 43 HE1 PHE 9 1HE PHE 9 -2.129 17.363 22.909 44 HE2 PHE 9 2HE PHE 9 1.137 15.777 25.143 45 HZ PHE 9 HZ PHE 9 -0.949 17.082 25.052 46 HA PRO 10 HA PRO 10 -3.455 12.578 19.221 47 HB2 PRO 10 1HB PRO 10 -5.016 12.939 21.412 48 HB3 PRO 10 2HB PRO 10 -4.153 11.432 21.086 49 HG2 PRO 10 1HG PRO 10 -3.407 13.684 22.911 50 HG3 PRO 10 2HG PRO 10 -3.305 11.936 23.191 51 HD2 PRO 10 1HD PRO 10 -1.154 13.429 22.504 52 HD3 PRO 10 2HD PRO 10 -1.337 11.734 22.009 53 H ALA 11 H ALA 11 -5.559 13.846 19.174 54 HA ALA 11 HA ALA 11 -6.620 15.782 18.611 55 HB1 ALA 11 1HB ALA 11 -6.745 17.427 20.270 56 HB2 ALA 11 2HB ALA 11 -6.389 15.942 21.152 57 HB3 ALA 11 3HB ALA 11 -5.105 17.109 20.836 58 H ARG 12 H ARG 12 -4.586 15.357 16.930 59 HA ARG 12 HA ARG 12 -2.517 17.151 16.708 60 HB2 ARG 12 1HB ARG 12 -4.192 15.711 14.690 61 HB3 ARG 12 2HB ARG 12 -3.020 16.901 14.139 62 HG2 ARG 12 1HG ARG 12 -1.715 15.052 14.058 63 HG3 ARG 12 2HG ARG 12 -1.424 15.515 15.736 64 HD2 ARG 12 1HD ARG 12 -3.431 14.000 16.278 65 HD3 ARG 12 2HD ARG 12 -3.193 13.347 14.658 66 HE ARG 12 HE ARG 12 -0.839 13.385 16.343 67 HH11 ARG 12 1HH1 ARG 12 -3.585 11.574 15.203 68 HH12 ARG 12 2HH1 ARG 12 -2.890 10.033 15.580 69 HH21 ARG 12 1HH2 ARG 12 0.087 11.362 16.844 70 HH22 ARG 12 2HH2 ARG 12 -0.802 9.913 16.514 71 H VAL 13 H VAL 13 -2.362 19.279 16.461 72 HA VAL 13 HA VAL 13 -4.614 20.967 16.406 73 HB VAL 13 HB VAL 13 -3.020 22.809 16.055 74 HG11 VAL 13 1HG1 VAL 13 -2.496 22.741 18.221 75 HG12 VAL 13 2HG1 VAL 13 -3.212 21.128 18.242 76 HG13 VAL 13 3HG1 VAL 13 -1.474 21.320 18.007 77 HG21 VAL 13 1HG2 VAL 13 -1.202 20.547 15.381 78 HG22 VAL 13 2HG2 VAL 13 -1.375 22.122 14.607 79 HG23 VAL 13 3HG2 VAL 13 -0.527 21.985 16.147 80 H LYS 14 H LYS 14 -5.855 21.604 14.778 81 HA LYS 14 HA LYS 14 -5.541 20.732 12.143 82 HB2 LYS 14 1HB LYS 14 -7.162 23.035 13.240 83 HB3 LYS 14 2HB LYS 14 -7.310 22.413 11.602 84 HG2 LYS 14 1HG LYS 14 -7.640 20.567 13.923 85 HG3 LYS 14 2HG LYS 14 -8.963 21.633 13.445 86 HD2 LYS 14 1HD LYS 14 -8.968 20.695 11.218 87 HD3 LYS 14 2HD LYS 14 -7.552 19.710 11.596 88 HE2 LYS 14 1HE LYS 14 -9.481 18.309 11.736 89 HE3 LYS 14 2HE LYS 14 -8.900 18.594 13.376 90 HZ1 LYS 14 1HZ LYS 14 -10.867 20.495 12.454 91 HZ2 LYS 14 2HZ LYS 14 -10.762 19.676 13.930 92 HZ3 LYS 14 3HZ LYS 14 -11.445 18.910 12.585 93 H VAL 15 H VAL 15 -4.303 21.410 10.525 94 HA VAL 15 HA VAL 15 -3.503 24.211 10.366 95 HB VAL 15 HB VAL 15 -1.514 21.938 10.406 96 HG11 VAL 15 1HG1 VAL 15 0.172 23.757 10.071 97 HG12 VAL 15 2HG1 VAL 15 -0.852 23.438 8.670 98 HG13 VAL 15 3HG1 VAL 15 -1.163 24.843 9.690 99 HG21 VAL 15 1HG2 VAL 15 -1.664 22.413 12.612 100 HG22 VAL 15 2HG2 VAL 15 -0.590 23.742 12.172 101 HG23 VAL 15 3HG2 VAL 15 -2.323 24.025 12.332 102 H GLU 16 H GLU 16 -4.035 24.838 8.388 103 HA GLU 16 HA GLU 16 -4.939 23.476 6.282 104 HB2 GLU 16 1HB GLU 16 -3.146 25.887 6.321 105 HB3 GLU 16 2HB GLU 16 -3.743 25.230 4.804 106 HG2 GLU 16 1HG GLU 16 -5.156 27.036 5.510 107 HG3 GLU 16 2HG GLU 16 -6.048 25.519 5.612 108 HA PRO 17 HA PRO 17 -1.842 20.733 4.783 109 HB2 PRO 17 1HB PRO 17 -2.745 20.408 2.243 110 HB3 PRO 17 2HB PRO 17 -3.539 19.681 3.645 111 HG2 PRO 17 1HG PRO 17 -4.254 22.170 2.144 112 HG3 PRO 17 2HG PRO 17 -5.315 20.888 2.755 113 HD2 PRO 17 1HD PRO 17 -4.992 23.249 4.041 114 HD3 PRO 17 2HD PRO 17 -5.302 21.727 4.902 115 H ALA 18 H ALA 18 0.180 21.230 4.244 116 HA ALA 18 HA ALA 18 0.654 23.433 2.358 117 HB1 ALA 18 1HB ALA 18 2.815 23.686 3.338 118 HB2 ALA 18 2HB ALA 18 1.641 23.571 4.650 119 HB3 ALA 18 3HB ALA 18 2.644 22.179 4.240 120 H VAL 19 H VAL 19 0.058 20.473 1.832 121 HA VAL 19 HA VAL 19 2.168 20.139 -0.164 122 HB VAL 19 HB VAL 19 2.806 18.777 1.829 123 HG11 VAL 19 1HG1 VAL 19 1.327 16.559 1.844 124 HG12 VAL 19 2HG1 VAL 19 0.971 17.944 2.879 125 HG13 VAL 19 3HG1 VAL 19 0.079 17.713 1.375 126 HG21 VAL 19 1HG2 VAL 19 2.183 17.472 -0.800 127 HG22 VAL 19 2HG2 VAL 19 3.734 18.050 -0.191 128 HG23 VAL 19 3HG2 VAL 19 3.004 16.597 0.492 129 H ASP 20 H ASP 20 1.564 18.891 -1.969 130 HA ASP 20 HA ASP 20 -1.288 18.886 -2.468 131 HB2 ASP 20 1HB ASP 20 1.168 18.525 -4.138 132 HB3 ASP 20 2HB ASP 20 -0.377 17.946 -4.756 133 H THR 21 H THR 21 1.305 16.462 -2.848 134 HA THR 21 HA THR 21 1.184 14.172 -2.986 135 HB THR 21 HB THR 21 0.093 13.137 -0.967 136 HG1 THR 21 1HG THR 21 -0.390 15.851 -0.240 137 HG21 THR 21 1HG2 THR 21 2.203 13.463 -0.285 138 HG22 THR 21 2HG2 THR 21 1.583 14.875 0.571 139 HG23 THR 21 3HG2 THR 21 2.286 15.056 -1.036 140 H SER 22 H SER 22 -0.709 15.376 -4.685 141 HA SER 22 HA SER 22 -3.021 13.568 -4.435 142 HB2 SER 22 1HB SER 22 -3.870 15.318 -6.285 143 HB3 SER 22 2HB SER 22 -4.067 15.599 -4.555 144 HG SER 22 HG SER 22 -2.476 16.896 -6.380 145 H ARG 23 H ARG 23 -0.166 14.019 -6.081 146 HA ARG 23 HA ARG 23 -1.135 12.412 -8.352 147 HB2 ARG 23 1HB ARG 23 0.671 13.502 -9.711 148 HB3 ARG 23 2HB ARG 23 -0.636 14.577 -9.232 149 HG2 ARG 23 1HG ARG 23 0.831 15.311 -7.316 150 HG3 ARG 23 2HG ARG 23 2.141 14.428 -8.101 151 HD2 ARG 23 1HD ARG 23 2.461 16.530 -8.965 152 HD3 ARG 23 2HD ARG 23 1.415 15.822 -10.195 153 HE ARG 23 HE ARG 23 0.707 17.892 -8.277 154 HH11 ARG 23 1HH1 ARG 23 -0.323 15.664 -10.746 155 HH12 ARG 23 2HH1 ARG 23 -1.808 16.499 -11.062 156 HH21 ARG 23 1HH2 ARG 23 -1.245 18.999 -8.684 157 HH22 ARG 23 2HH2 ARG 23 -2.331 18.396 -9.889 158 H ILE 24 H ILE 24 -0.005 11.567 -5.790 159 HA ILE 24 HA ILE 24 2.695 10.705 -6.336 160 HB ILE 24 HB ILE 24 0.795 10.217 -4.057 161 HG12 ILE 24 1HG1 ILE 24 3.450 11.632 -4.343 162 HG13 ILE 24 2HG1 ILE 24 1.883 12.367 -4.025 163 HG21 ILE 24 1HG2 ILE 24 3.036 8.577 -4.886 164 HG22 ILE 24 2HG2 ILE 24 3.252 9.224 -3.261 165 HG23 ILE 24 3HG2 ILE 24 1.815 8.279 -3.649 166 HD11 ILE 24 1HD1 ILE 24 3.819 11.379 -2.182 167 HD12 ILE 24 2HD1 ILE 24 2.315 12.243 -1.864 168 HD13 ILE 24 3HD1 ILE 24 2.313 10.484 -1.986 169 H LYS 25 H LYS 25 3.270 8.902 -7.346 170 HA LYS 25 HA LYS 25 1.231 6.818 -7.757 171 HB2 LYS 25 1HB LYS 25 3.449 7.863 -9.461 172 HB3 LYS 25 2HB LYS 25 2.982 6.176 -9.636 173 HG2 LYS 25 1HG LYS 25 0.710 6.829 -10.165 174 HG3 LYS 25 2HG LYS 25 1.120 8.528 -9.912 175 HD2 LYS 25 1HD LYS 25 2.520 6.800 -11.940 176 HD3 LYS 25 2HD LYS 25 1.064 7.725 -12.317 177 HE2 LYS 25 1HE LYS 25 2.137 9.751 -12.110 178 HE3 LYS 25 2HE LYS 25 3.370 9.108 -11.027 179 HZ1 LYS 25 1HZ LYS 25 3.918 9.667 -13.506 180 HZ2 LYS 25 2HZ LYS 25 3.283 8.125 -13.787 181 HZ3 LYS 25 3HZ LYS 25 4.609 8.318 -12.754 182 H VAL 26 H VAL 26 1.600 4.787 -7.077 183 HA VAL 26 HA VAL 26 4.282 4.161 -6.023 184 HB VAL 26 HB VAL 26 3.047 2.642 -4.389 185 HG11 VAL 26 1HG1 VAL 26 2.247 5.331 -3.584 186 HG12 VAL 26 2HG1 VAL 26 3.403 4.222 -2.845 187 HG13 VAL 26 3HG1 VAL 26 3.898 5.241 -4.197 188 HG21 VAL 26 1HG2 VAL 26 0.730 4.459 -5.030 189 HG22 VAL 26 2HG2 VAL 26 0.868 2.800 -5.612 190 HG23 VAL 26 3HG2 VAL 26 0.761 3.121 -3.881 191 H PHE 27 H PHE 27 5.199 2.357 -6.771 192 HA PHE 27 HA PHE 27 3.495 0.312 -8.015 193 HB2 PHE 27 1HB PHE 27 5.435 0.059 -9.710 194 HB3 PHE 27 2HB PHE 27 4.301 1.387 -9.929 195 HD1 PHE 27 2HD PHE 27 7.692 0.485 -8.832 196 HD2 PHE 27 1HD PHE 27 4.994 3.654 -9.726 197 HE1 PHE 27 2HE PHE 27 9.565 2.080 -8.812 198 HE2 PHE 27 1HE PHE 27 6.863 5.254 -9.708 199 HZ PHE 27 HZ PHE 27 9.152 4.468 -9.250 200 H GLY 28 H GLY 28 4.196 -1.803 -7.812 201 HA2 GLY 28 1HA GLY 28 6.442 -3.045 -7.314 202 HA3 GLY 28 2HA GLY 28 6.276 -2.197 -5.784 203 HA PRO 29 HA PRO 29 3.868 -6.316 -5.948 204 HB2 PRO 29 1HB PRO 29 5.605 -7.873 -4.559 205 HB3 PRO 29 2HB PRO 29 5.638 -7.733 -6.321 206 HG2 PRO 29 1HG PRO 29 7.340 -6.356 -4.279 207 HG3 PRO 29 2HG PRO 29 7.816 -7.089 -5.822 208 HD2 PRO 29 1HD PRO 29 7.477 -4.420 -5.520 209 HD3 PRO 29 2HD PRO 29 7.132 -5.260 -7.046 210 H GLY 30 H GLY 30 5.847 -4.767 -3.462 211 HA2 GLY 30 1HA GLY 30 4.509 -5.842 -1.218 212 HA3 GLY 30 2HA GLY 30 5.468 -4.369 -1.233 213 H ILE 31 H ILE 31 3.641 -3.332 -3.426 214 HA ILE 31 HA ILE 31 1.485 -2.460 -1.622 215 HB ILE 31 HB ILE 31 3.033 -0.689 -2.453 216 HG12 ILE 31 1HG1 ILE 31 1.205 0.853 -3.217 217 HG13 ILE 31 2HG1 ILE 31 0.135 -0.542 -3.304 218 HG21 ILE 31 1HG2 ILE 31 2.455 -1.959 -4.963 219 HG22 ILE 31 2HG2 ILE 31 2.036 -0.248 -5.032 220 HG23 ILE 31 3HG2 ILE 31 3.669 -0.737 -4.581 221 HD11 ILE 31 1HD1 ILE 31 0.199 1.015 -1.193 222 HD12 ILE 31 2HD1 ILE 31 -0.030 -0.727 -1.041 223 HD13 ILE 31 3HD1 ILE 31 1.559 -0.018 -0.754 224 H GLU 32 H GLU 32 2.184 -4.096 -4.555 225 HA GLU 32 HA GLU 32 -0.525 -3.809 -5.586 226 HB2 GLU 32 1HB GLU 32 1.914 -5.237 -6.650 227 HB3 GLU 32 2HB GLU 32 0.347 -5.266 -7.445 228 HG2 GLU 32 1HG GLU 32 1.546 -2.631 -6.781 229 HG3 GLU 32 2HG GLU 32 2.210 -3.547 -8.133 230 H GLY 33 H GLY 33 1.634 -6.384 -4.425 231 HA2 GLY 33 1HA GLY 33 0.742 -8.077 -2.937 232 HA3 GLY 33 2HA GLY 33 -0.775 -7.976 -3.820 233 H LYS 34 H LYS 34 2.496 -8.190 -5.149 234 HA LYS 34 HA LYS 34 1.668 -10.478 -6.740 235 HB2 LYS 34 1HB LYS 34 4.402 -9.231 -6.791 236 HB3 LYS 34 2HB LYS 34 3.557 -10.080 -8.078 237 HG2 LYS 34 1HG LYS 34 2.593 -7.454 -6.989 238 HG3 LYS 34 2HG LYS 34 3.770 -7.565 -8.301 239 HD2 LYS 34 1HD LYS 34 1.853 -7.467 -9.535 240 HD3 LYS 34 2HD LYS 34 1.943 -9.214 -9.294 241 HE2 LYS 34 1HE LYS 34 0.575 -8.592 -7.105 242 HE3 LYS 34 2HE LYS 34 0.102 -7.214 -8.097 243 HZ1 LYS 34 1HZ LYS 34 -1.500 -8.813 -8.544 244 HZ2 LYS 34 2HZ LYS 34 -0.386 -10.085 -8.581 245 HZ3 LYS 34 3HZ LYS 34 -0.438 -8.970 -9.852 246 H ASP 35 H ASP 35 4.702 -9.790 -5.001 247 HA ASP 35 HA ASP 35 4.821 -12.631 -4.260 248 HB2 ASP 35 1HB ASP 35 7.084 -10.643 -4.094 249 HB3 ASP 35 2HB ASP 35 7.183 -12.401 -4.081 250 H VAL 36 H VAL 36 3.153 -10.739 -2.851 251 HA VAL 36 HA VAL 36 4.521 -10.167 -0.358 252 HB VAL 36 HB VAL 36 1.574 -9.859 -0.921 253 HG11 VAL 36 1HG1 VAL 36 2.243 -7.860 0.753 254 HG12 VAL 36 2HG1 VAL 36 1.684 -9.444 1.296 255 HG13 VAL 36 3HG1 VAL 36 3.410 -9.084 1.252 256 HG21 VAL 36 1HG2 VAL 36 2.169 -7.465 -1.422 257 HG22 VAL 36 2HG2 VAL 36 3.851 -7.984 -1.530 258 HG23 VAL 36 3HG2 VAL 36 2.653 -8.635 -2.649 259 H PHE 37 H PHE 37 3.536 -12.938 -1.586 260 HA PHE 37 HA PHE 37 1.722 -14.232 -0.084 261 HB2 PHE 37 1HB PHE 37 4.403 -15.537 -0.416 262 HB3 PHE 37 2HB PHE 37 2.798 -16.240 -0.587 263 HD1 PHE 37 1HD PHE 37 1.443 -14.536 -2.449 264 HD2 PHE 37 2HD PHE 37 5.521 -15.755 -2.408 265 HE1 PHE 37 1HE PHE 37 1.561 -14.212 -4.885 266 HE2 PHE 37 2HE PHE 37 5.646 -15.431 -4.844 267 HZ PHE 37 HZ PHE 37 3.664 -14.658 -6.086 268 H ARG 38 H ARG 38 1.703 -15.429 1.875 269 HA ARG 38 HA ARG 38 2.591 -14.102 4.122 270 HB2 ARG 38 1HB ARG 38 0.877 -16.040 3.861 271 HB3 ARG 38 2HB ARG 38 2.263 -17.086 4.139 272 HG2 ARG 38 1HG ARG 38 2.654 -16.051 6.292 273 HG3 ARG 38 2HG ARG 38 1.330 -14.919 6.009 274 HD2 ARG 38 1HD ARG 38 -0.292 -16.575 6.213 275 HD3 ARG 38 2HD ARG 38 0.861 -17.874 5.911 276 HE ARG 38 HE ARG 38 0.284 -16.616 8.434 277 HH11 ARG 38 1HH1 ARG 38 2.610 -18.442 6.597 278 HH12 ARG 38 2HH1 ARG 38 3.396 -19.096 7.996 279 HH21 ARG 38 1HH2 ARG 38 1.310 -17.470 10.283 280 HH22 ARG 38 2HH2 ARG 38 2.655 -18.543 10.092 281 H GLU 39 H GLU 39 4.383 -14.130 5.383 282 HA GLU 39 HA GLU 39 6.552 -14.438 5.992 283 HB2 GLU 39 1HB GLU 39 6.031 -17.176 4.826 284 HB3 GLU 39 2HB GLU 39 7.493 -16.746 5.702 285 HG2 GLU 39 1HG GLU 39 6.435 -16.670 7.721 286 HG3 GLU 39 2HG GLU 39 4.875 -16.256 7.013 287 H ALA 40 H ALA 40 6.065 -13.161 3.531 288 HA ALA 40 HA ALA 40 8.489 -13.928 2.042 289 HB1 ALA 40 1HB ALA 40 6.117 -14.336 0.971 290 HB2 ALA 40 2HB ALA 40 6.243 -12.617 0.598 291 HB3 ALA 40 3HB ALA 40 7.467 -13.740 0.006 292 H THR 41 H THR 41 9.850 -12.303 1.452 293 HA THR 41 HA THR 41 9.452 -9.742 2.734 294 HB THR 41 HB THR 41 11.770 -10.594 0.993 295 HG1 THR 41 1HG THR 41 11.532 -10.766 3.830 296 HG21 THR 41 1HG2 THR 41 11.098 -8.143 2.250 297 HG22 THR 41 2HG2 THR 41 12.583 -8.561 1.396 298 HG23 THR 41 3HG2 THR 41 12.456 -8.838 3.133 299 H THR 42 H THR 42 8.088 -8.397 1.716 300 HA THR 42 HA THR 42 8.567 -7.883 -1.147 301 HB THR 42 HB THR 42 6.376 -9.036 -0.666 302 HG1 THR 42 1HG THR 42 6.929 -7.067 -2.290 303 HG21 THR 42 1HG2 THR 42 4.576 -7.750 0.319 304 HG22 THR 42 2HG2 THR 42 5.651 -6.372 0.559 305 HG23 THR 42 3HG2 THR 42 5.911 -7.863 1.466 306 H ASP 43 H ASP 43 8.449 -5.747 -1.851 307 HA ASP 43 HA ASP 43 7.909 -3.640 0.073 308 HB2 ASP 43 1HB ASP 43 10.059 -2.555 -0.171 309 HB3 ASP 43 2HB ASP 43 10.310 -4.201 0.403 310 H PHE 44 H PHE 44 7.679 -1.554 -0.896 311 HA PHE 44 HA PHE 44 7.334 -1.650 -3.821 312 HB2 PHE 44 1HB PHE 44 5.443 -0.065 -3.531 313 HB3 PHE 44 2HB PHE 44 5.154 -1.622 -2.761 314 HD1 PHE 44 2HD PHE 44 5.285 -1.828 -0.305 315 HD2 PHE 44 1HD PHE 44 5.565 1.938 -2.268 316 HE1 PHE 44 2HE PHE 44 4.811 -0.687 1.823 317 HE2 PHE 44 1HE PHE 44 5.091 3.085 -0.143 318 HZ PHE 44 HZ PHE 44 4.712 1.772 1.906 319 H THR 45 H THR 45 7.141 0.692 -4.711 320 HA THR 45 HA THR 45 9.173 2.382 -3.407 321 HB THR 45 HB THR 45 8.873 2.025 -6.394 322 HG1 THR 45 1HG THR 45 10.852 0.992 -4.617 323 HG21 THR 45 1HG2 THR 45 9.914 4.032 -6.320 324 HG22 THR 45 2HG2 THR 45 11.341 3.051 -5.985 325 HG23 THR 45 3HG2 THR 45 10.458 3.806 -4.658 326 H VAL 46 H VAL 46 8.623 4.453 -3.119 327 HA VAL 46 HA VAL 46 6.124 5.390 -4.354 328 HB VAL 46 HB VAL 46 7.539 6.375 -1.873 329 HG11 VAL 46 1HG1 VAL 46 5.661 7.858 -1.549 330 HG12 VAL 46 2HG1 VAL 46 6.391 8.175 -3.124 331 HG13 VAL 46 3HG1 VAL 46 4.890 7.255 -3.015 332 HG21 VAL 46 1HG2 VAL 46 4.924 5.536 -1.307 333 HG22 VAL 46 2HG2 VAL 46 5.625 4.283 -2.332 334 HG23 VAL 46 3HG2 VAL 46 6.431 4.751 -0.835 335 H ASP 47 H ASP 47 6.383 6.681 -6.044 336 HA ASP 47 HA ASP 47 8.841 8.217 -6.352 337 HB2 ASP 47 1HB ASP 47 7.527 6.811 -8.179 338 HB3 ASP 47 2HB ASP 47 6.639 8.321 -8.363 339 H SER 48 H SER 48 8.992 10.300 -5.864 340 HA SER 48 HA SER 48 6.552 11.937 -5.832 341 HB2 SER 48 1HB SER 48 7.745 13.096 -3.789 342 HB3 SER 48 2HB SER 48 6.765 11.650 -3.544 343 HG SER 48 HG SER 48 8.596 10.435 -3.388 344 H ARG 49 H ARG 49 6.765 13.944 -6.667 345 HA ARG 49 HA ARG 49 9.470 14.763 -7.500 346 HB2 ARG 49 1HB ARG 49 6.886 14.702 -8.926 347 HB3 ARG 49 2HB ARG 49 7.839 16.160 -9.162 348 HG2 ARG 49 1HG ARG 49 8.495 14.772 -10.904 349 HG3 ARG 49 2HG ARG 49 9.777 14.577 -9.707 350 HD2 ARG 49 1HD ARG 49 9.376 12.386 -10.228 351 HD3 ARG 49 2HD ARG 49 8.251 12.596 -8.887 352 HE ARG 49 HE ARG 49 7.579 12.324 -11.710 353 HH11 ARG 49 1HH1 ARG 49 6.524 12.922 -8.447 354 HH12 ARG 49 2HH1 ARG 49 4.859 12.578 -8.783 355 HH21 ARG 49 1HH2 ARG 49 5.391 11.868 -12.165 356 HH22 ARG 49 2HH2 ARG 49 4.216 11.978 -10.898 357 HA PRO 50 HA PRO 50 7.360 18.927 -6.429 358 HB2 PRO 50 1HB PRO 50 4.700 18.940 -5.885 359 HB3 PRO 50 2HB PRO 50 5.347 19.098 -7.523 360 HG2 PRO 50 1HG PRO 50 4.245 16.678 -6.147 361 HG3 PRO 50 2HG PRO 50 3.975 17.242 -7.807 362 HD2 PRO 50 1HD PRO 50 5.715 15.256 -7.208 363 HD3 PRO 50 2HD PRO 50 5.974 16.377 -8.560 364 H LEU 51 H LEU 51 7.277 16.125 -4.721 365 HA LEU 51 HA LEU 51 6.568 17.442 -2.188 366 HB2 LEU 51 1HB LEU 51 6.925 14.490 -2.611 367 HB3 LEU 51 2HB LEU 51 6.134 15.309 -1.267 368 HG LEU 51 HG LEU 51 5.102 15.015 -4.084 369 HD11 LEU 51 1HD1 LEU 51 4.745 13.017 -2.880 370 HD12 LEU 51 2HD1 LEU 51 3.217 13.896 -2.829 371 HD13 LEU 51 3HD1 LEU 51 4.278 13.890 -1.420 372 HD21 LEU 51 1HD2 LEU 51 3.310 16.402 -3.580 373 HD22 LEU 51 2HD2 LEU 51 4.683 17.260 -2.879 374 HD23 LEU 51 3HD2 LEU 51 3.606 16.322 -1.843 375 H THR 52 H THR 52 9.024 15.467 -3.781 376 HA THR 52 HA THR 52 11.037 16.558 -1.987 377 HB THR 52 HB THR 52 10.191 14.399 -0.956 378 HG1 THR 52 1HG THR 52 12.931 14.509 -1.744 379 HG21 THR 52 1HG2 THR 52 10.001 13.246 -3.210 380 HG22 THR 52 2HG2 THR 52 10.769 12.316 -1.924 381 HG23 THR 52 3HG2 THR 52 11.756 13.084 -3.167 382 H GLN 53 H GLN 53 13.146 16.470 -2.816 383 HA GLN 53 HA GLN 53 13.336 15.590 -5.622 384 HB2 GLN 53 1HB GLN 53 14.686 17.977 -4.349 385 HB3 GLN 53 2HB GLN 53 14.881 17.457 -6.018 386 HG2 GLN 53 1HG GLN 53 13.342 19.112 -6.284 387 HG3 GLN 53 2HG GLN 53 12.275 17.725 -6.075 388 HE21 GLN 53 1HE2 GLN 53 10.607 18.194 -4.854 389 HE22 GLN 53 2HE2 GLN 53 10.607 19.225 -3.469 390 H VAL 54 H VAL 54 14.950 15.927 -2.524 391 HA VAL 54 HA VAL 54 17.032 14.071 -3.479 392 HB VAL 54 HB VAL 54 18.628 15.086 -1.969 393 HG11 VAL 54 1HG1 VAL 54 17.331 16.565 -4.118 394 HG12 VAL 54 2HG1 VAL 54 18.200 17.603 -2.985 395 HG13 VAL 54 3HG1 VAL 54 19.044 16.289 -3.805 396 HG21 VAL 54 1HG2 VAL 54 18.037 16.317 -0.215 397 HG22 VAL 54 2HG2 VAL 54 17.211 17.481 -1.250 398 HG23 VAL 54 3HG2 VAL 54 16.350 16.060 -0.659 399 H GLY 55 H GLY 55 14.601 13.197 -2.393 400 HA2 GLY 55 1HA GLY 55 13.924 11.572 -0.906 401 HA3 GLY 55 2HA GLY 55 15.563 11.541 -0.274 402 H GLY 56 H GLY 56 13.363 11.276 1.389 403 HA2 GLY 56 1HA GLY 56 13.814 13.511 3.170 404 HA3 GLY 56 2HA GLY 56 12.169 13.393 2.563 405 H ASP 57 H ASP 57 12.048 13.249 5.072 406 HA ASP 57 HA ASP 57 11.859 10.390 5.727 407 HB2 ASP 57 1HB ASP 57 13.105 12.578 7.375 408 HB3 ASP 57 2HB ASP 57 12.450 11.128 8.132 409 H HIS 58 H HIS 58 9.805 12.071 4.757 410 HA HIS 58 HA HIS 58 8.127 12.452 7.146 411 HB2 HIS 58 1HB HIS 58 8.294 13.867 4.532 412 HB3 HIS 58 2HB HIS 58 6.706 13.729 5.282 413 HD1 HIS 58 1HD HIS 58 6.329 16.041 6.137 414 HD2 HIS 58 2HD HIS 58 10.072 14.568 7.176 415 HE1 HIS 58 1HE HIS 58 7.316 17.750 7.696 416 H ILE 59 H ILE 59 8.682 9.943 5.618 417 HA ILE 59 HA ILE 59 5.974 9.348 4.640 418 HB ILE 59 HB ILE 59 8.550 7.834 4.200 419 HG12 ILE 59 1HG1 ILE 59 8.192 10.053 2.989 420 HG13 ILE 59 2HG1 ILE 59 8.519 8.650 1.978 421 HG21 ILE 59 1HG2 ILE 59 5.711 7.195 3.621 422 HG22 ILE 59 2HG2 ILE 59 6.919 6.750 2.417 423 HG23 ILE 59 3HG2 ILE 59 7.045 6.129 4.063 424 HD11 ILE 59 1HD1 ILE 59 6.277 8.502 1.289 425 HD12 ILE 59 2HD1 ILE 59 5.737 9.617 2.545 426 HD13 ILE 59 3HD1 ILE 59 6.703 10.211 1.195 427 H LYS 60 H LYS 60 4.822 7.597 5.422 428 HA LYS 60 HA LYS 60 5.923 5.834 7.408 429 HB2 LYS 60 1HB LYS 60 5.440 7.884 8.730 430 HB3 LYS 60 2HB LYS 60 3.753 7.767 8.245 431 HG2 LYS 60 1HG LYS 60 3.680 6.778 10.303 432 HG3 LYS 60 2HG LYS 60 3.938 5.367 9.274 433 HD2 LYS 60 1HD LYS 60 6.461 5.862 9.699 434 HD3 LYS 60 2HD LYS 60 5.858 6.772 11.087 435 HE2 LYS 60 1HE LYS 60 6.398 4.531 11.784 436 HE3 LYS 60 2HE LYS 60 4.649 4.747 11.836 437 HZ1 LYS 60 1HZ LYS 60 4.340 3.399 10.013 438 HZ2 LYS 60 2HZ LYS 60 5.630 2.624 10.784 439 HZ3 LYS 60 3HZ LYS 60 5.917 3.605 9.437 440 H ALA 61 H ALA 61 4.844 3.942 7.446 441 HA ALA 61 HA ALA 61 2.156 3.856 6.250 442 HB1 ALA 61 1HB ALA 61 2.684 2.237 4.754 443 HB2 ALA 61 2HB ALA 61 4.268 3.007 4.862 444 HB3 ALA 61 3HB ALA 61 3.937 1.539 5.781 445 H HIS 62 H HIS 62 0.914 1.925 6.837 446 HA HIS 62 HA HIS 62 1.813 0.408 9.136 447 HB2 HIS 62 1HB HIS 62 0.893 2.489 10.126 448 HB3 HIS 62 2HB HIS 62 -0.646 2.161 9.335 449 HD1 HIS 62 1HD HIS 62 1.272 1.427 12.359 450 HD2 HIS 62 2HD HIS 62 -1.965 -0.223 10.344 451 HE1 HIS 62 1HE HIS 62 0.165 -0.112 14.012 452 H ILE 63 H ILE 63 1.423 -1.566 8.354 453 HA ILE 63 HA ILE 63 -0.840 -2.122 6.663 454 HB ILE 63 HB ILE 63 1.250 -3.945 7.853 455 HG12 ILE 63 1HG1 ILE 63 0.903 -3.260 4.949 456 HG13 ILE 63 2HG1 ILE 63 1.793 -2.182 6.019 457 HG21 ILE 63 1HG2 ILE 63 0.399 -5.708 6.483 458 HG22 ILE 63 2HG2 ILE 63 -0.938 -5.069 7.437 459 HG23 ILE 63 3HG2 ILE 63 -0.780 -4.630 5.737 460 HD11 ILE 63 1HD1 ILE 63 2.606 -4.984 6.190 461 HD12 ILE 63 2HD1 ILE 63 2.877 -4.233 4.617 462 HD13 ILE 63 3HD1 ILE 63 3.579 -3.519 6.069 463 H ALA 64 H ALA 64 -2.574 -3.497 7.124 464 HA ALA 64 HA ALA 64 -2.984 -4.168 9.958 465 HB1 ALA 64 1HB ALA 64 -5.519 -3.585 9.089 466 HB2 ALA 64 2HB ALA 64 -4.497 -2.527 10.062 467 HB3 ALA 64 3HB ALA 64 -4.545 -2.339 8.309 468 H ASN 65 H ASN 65 -3.029 -6.322 9.997 469 HA ASN 65 HA ASN 65 -3.813 -7.924 7.779 470 HB2 ASN 65 1HB ASN 65 -3.134 -8.510 10.650 471 HB3 ASN 65 2HB ASN 65 -3.740 -9.778 9.589 472 HD21 ASN 65 1HD2 ASN 65 -1.138 -9.466 10.888 473 HD22 ASN 65 2HD2 ASN 65 0.032 -9.508 9.617 474 HA PRO 66 HA PRO 66 -8.152 -8.281 8.350 475 HB2 PRO 66 1HB PRO 66 -8.577 -10.815 7.474 476 HB3 PRO 66 2HB PRO 66 -8.185 -9.476 6.388 477 HG2 PRO 66 1HG PRO 66 -6.392 -11.600 7.499 478 HG3 PRO 66 2HG PRO 66 -6.467 -10.948 5.851 479 HD2 PRO 66 1HD PRO 66 -4.587 -10.174 7.640 480 HD3 PRO 66 2HD PRO 66 -5.233 -9.081 6.399 481 H SER 67 H SER 67 -5.956 -10.006 10.203 482 HA SER 67 HA SER 67 -8.017 -11.429 11.722 483 HB2 SER 67 1HB SER 67 -5.038 -11.644 11.523 484 HB3 SER 67 2HB SER 67 -5.839 -12.211 12.988 485 HG SER 67 HG SER 67 -6.522 -13.027 10.356 486 H GLY 68 H GLY 68 -6.014 -8.633 11.837 487 HA2 GLY 68 1HA GLY 68 -6.898 -6.943 13.462 488 HA3 GLY 68 2HA GLY 68 -6.765 -8.217 14.665 489 H ALA 69 H ALA 69 -4.199 -9.000 13.099 490 HA ALA 69 HA ALA 69 -2.433 -7.451 14.785 491 HB1 ALA 69 1HB ALA 69 -1.549 -9.477 12.756 492 HB2 ALA 69 2HB ALA 69 -0.772 -9.012 14.270 493 HB3 ALA 69 3HB ALA 69 -2.259 -9.960 14.297 494 H SER 70 H SER 70 -0.289 -6.731 13.747 495 HA SER 70 HA SER 70 -0.737 -5.526 11.109 496 HB2 SER 70 1HB SER 70 0.377 -4.005 13.477 497 HB3 SER 70 2HB SER 70 0.087 -3.370 11.858 498 HG SER 70 HG SER 70 -2.125 -4.530 12.968 499 H THR 71 H THR 71 0.981 -5.619 9.791 500 HA THR 71 HA THR 71 3.351 -6.987 10.718 501 HB THR 71 HB THR 71 2.722 -5.904 7.965 502 HG1 THR 71 1HG THR 71 1.364 -7.672 8.982 503 HG21 THR 71 1HG2 THR 71 4.644 -8.119 8.569 504 HG22 THR 71 2HG2 THR 71 5.163 -6.438 8.688 505 HG23 THR 71 3HG2 THR 71 4.559 -7.068 7.156 506 H GLU 72 H GLU 72 5.363 -6.155 10.981 507 HA GLU 72 HA GLU 72 5.621 -3.352 11.396 508 HB2 GLU 72 1HB GLU 72 6.867 -5.261 12.583 509 HB3 GLU 72 2HB GLU 72 7.923 -5.279 11.177 510 HG2 GLU 72 1HG GLU 72 8.823 -3.215 11.655 511 HG3 GLU 72 2HG GLU 72 7.433 -2.715 12.617 512 H CYS 73 H CYS 73 6.174 -1.806 10.012 513 HA CYS 73 HA CYS 73 7.218 -2.602 7.382 514 HB2 CYS 73 1HB CYS 73 6.325 -0.483 6.549 515 HB3 CYS 73 2HB CYS 73 5.064 -1.417 7.345 516 HG CYS 73 HG CYS 73 5.089 0.101 9.686 517 H PHE 74 H PHE 74 8.982 -1.551 6.477 518 HA PHE 74 HA PHE 74 10.474 0.260 8.251 519 HB2 PHE 74 1HB PHE 74 11.641 -2.035 6.661 520 HB3 PHE 74 2HB PHE 74 12.569 -0.861 7.588 521 HD1 PHE 74 1HD PHE 74 10.014 -3.525 7.895 522 HD2 PHE 74 2HD PHE 74 12.966 -1.176 9.867 523 HE1 PHE 74 1HE PHE 74 9.806 -4.946 9.893 524 HE2 PHE 74 2HE PHE 74 12.763 -2.594 11.868 525 HZ PHE 74 HZ PHE 74 11.182 -4.482 11.882 526 H VAL 75 H VAL 75 10.156 2.125 7.147 527 HA VAL 75 HA VAL 75 10.285 2.261 4.281 528 HB VAL 75 HB VAL 75 10.032 4.681 4.569 529 HG11 VAL 75 1HG1 VAL 75 7.844 4.368 4.816 530 HG12 VAL 75 2HG1 VAL 75 8.197 2.702 5.278 531 HG13 VAL 75 3HG1 VAL 75 8.039 3.948 6.517 532 HG21 VAL 75 1HG2 VAL 75 10.494 4.016 7.460 533 HG22 VAL 75 2HG2 VAL 75 11.316 5.213 6.457 534 HG23 VAL 75 3HG2 VAL 75 9.649 5.484 6.967 535 H THR 76 H THR 76 11.960 2.819 3.012 536 HA THR 76 HA THR 76 14.429 3.774 4.297 537 HB THR 76 HB THR 76 14.289 1.650 2.148 538 HG1 THR 76 1HG THR 76 14.975 1.544 4.912 539 HG21 THR 76 1HG2 THR 76 16.277 3.451 2.433 540 HG22 THR 76 2HG2 THR 76 16.534 1.794 1.887 541 HG23 THR 76 3HG2 THR 76 16.809 2.219 3.576 542 H ASP 77 H ASP 77 15.023 5.652 3.459 543 HA ASP 77 HA ASP 77 14.024 6.450 0.839 544 HB2 ASP 77 1HB ASP 77 15.061 8.681 1.499 545 HB3 ASP 77 2HB ASP 77 13.711 8.126 2.484 546 H ASN 78 H ASN 78 15.225 6.470 -0.947 547 HA ASN 78 HA ASN 78 17.969 5.582 -0.818 548 HB2 ASN 78 1HB ASN 78 16.251 6.336 -3.193 549 HB3 ASN 78 2HB ASN 78 17.842 5.587 -3.285 550 HD21 ASN 78 1HD2 ASN 78 14.490 5.120 -2.625 551 HD22 ASN 78 2HD2 ASN 78 14.535 3.398 -2.504 552 H ALA 79 H ALA 79 16.806 8.426 -0.112 553 HA ALA 79 HA ALA 79 17.474 10.605 -0.257 554 HB1 ALA 79 1HB ALA 79 19.652 9.011 0.373 555 HB2 ALA 79 2HB ALA 79 20.253 10.092 -0.884 556 HB3 ALA 79 3HB ALA 79 19.530 10.758 0.580 557 H ASP 80 H ASP 80 16.535 9.465 -2.719 558 HA ASP 80 HA ASP 80 18.060 11.107 -4.632 559 HB2 ASP 80 1HB ASP 80 18.446 8.811 -5.222 560 HB3 ASP 80 2HB ASP 80 16.730 8.433 -5.090 561 H GLY 81 H GLY 81 14.941 10.001 -3.494 562 HA2 GLY 81 1HA GLY 81 13.411 12.133 -3.751 563 HA3 GLY 81 2HA GLY 81 13.543 11.675 -5.443 564 H THR 82 H THR 82 13.716 8.807 -4.063 565 HA THR 82 HA THR 82 10.791 8.468 -3.904 566 HB THR 82 HB THR 82 11.012 6.265 -4.904 567 HG1 THR 82 1HG THR 82 13.248 5.889 -5.863 568 HG21 THR 82 1HG2 THR 82 11.837 8.709 -6.281 569 HG22 THR 82 2HG2 THR 82 10.655 7.487 -6.753 570 HG23 THR 82 3HG2 THR 82 12.368 7.233 -7.086 571 H TYR 83 H TYR 83 10.157 6.426 -2.735 572 HA TYR 83 HA TYR 83 11.981 5.928 -0.475 573 HB2 TYR 83 1HB TYR 83 8.964 5.953 -0.314 574 HB3 TYR 83 2HB TYR 83 10.103 5.833 1.023 575 HD1 TYR 83 2HD TYR 83 11.358 7.803 1.768 576 HD2 TYR 83 1HD TYR 83 8.461 8.077 -1.336 577 HE1 TYR 83 2HE TYR 83 11.327 10.250 2.021 578 HE2 TYR 83 1HE TYR 83 8.423 10.524 -1.092 579 HH TYR 83 HH TYR 83 9.986 12.133 1.541 580 H GLN 84 H GLN 84 11.951 3.842 0.441 581 HA GLN 84 HA GLN 84 10.593 1.781 -1.161 582 HB2 GLN 84 1HB GLN 84 13.052 2.005 -1.698 583 HB3 GLN 84 2HB GLN 84 13.384 1.493 -0.049 584 HG2 GLN 84 1HG GLN 84 13.565 -0.492 -1.158 585 HG3 GLN 84 2HG GLN 84 11.866 -0.535 -0.690 586 HE21 GLN 84 1HE2 GLN 84 10.563 -1.175 -2.233 587 HE22 GLN 84 2HE2 GLN 84 10.792 -0.947 -3.930 588 H VAL 85 H VAL 85 9.062 1.101 0.220 589 HA VAL 85 HA VAL 85 9.779 0.616 3.021 590 HB VAL 85 HB VAL 85 7.066 0.646 1.690 591 HG11 VAL 85 1HG1 VAL 85 7.977 -0.172 4.371 592 HG12 VAL 85 2HG1 VAL 85 6.558 0.877 4.326 593 HG13 VAL 85 3HG1 VAL 85 6.549 -0.658 3.458 594 HG21 VAL 85 1HG2 VAL 85 8.660 2.678 3.177 595 HG22 VAL 85 2HG2 VAL 85 7.636 2.870 1.754 596 HG23 VAL 85 3HG2 VAL 85 6.905 2.678 3.347 597 H GLU 86 H GLU 86 10.202 -1.370 3.708 598 HA GLU 86 HA GLU 86 9.260 -3.644 2.087 599 HB2 GLU 86 1HB GLU 86 11.711 -3.376 2.094 600 HB3 GLU 86 2HB GLU 86 11.712 -3.482 3.848 601 HG2 GLU 86 1HG GLU 86 10.915 -5.756 3.753 602 HG3 GLU 86 2HG GLU 86 10.775 -5.662 1.998 603 H TYR 87 H TYR 87 8.106 -5.221 3.046 604 HA TYR 87 HA TYR 87 8.065 -5.486 5.935 605 HB2 TYR 87 1HB TYR 87 5.735 -5.101 6.226 606 HB3 TYR 87 2HB TYR 87 6.352 -3.722 5.322 607 HD1 TYR 87 2HD TYR 87 4.453 -6.883 5.021 608 HD2 TYR 87 1HD TYR 87 5.530 -3.212 3.159 609 HE1 TYR 87 2HE TYR 87 2.759 -7.274 3.281 610 HE2 TYR 87 1HE TYR 87 3.839 -3.593 1.415 611 HH TYR 87 HH TYR 87 1.930 -4.829 0.939 612 H THR 88 H THR 88 7.274 -7.473 6.650 613 HA THR 88 HA THR 88 6.686 -9.427 4.521 614 HB THR 88 HB THR 88 8.120 -10.083 7.095 615 HG1 THR 88 1HG THR 88 9.553 -8.811 6.000 616 HG21 THR 88 1HG2 THR 88 8.374 -12.203 6.275 617 HG22 THR 88 2HG2 THR 88 8.351 -11.673 4.593 618 HG23 THR 88 3HG2 THR 88 6.845 -11.784 5.503 619 HA PRO 89 HA PRO 89 2.961 -9.624 7.074 620 HB2 PRO 89 1HB PRO 89 1.483 -10.908 5.193 621 HB3 PRO 89 2HB PRO 89 1.756 -9.162 5.173 622 HG2 PRO 89 1HG PRO 89 3.138 -11.313 3.616 623 HG3 PRO 89 2HG PRO 89 2.572 -9.724 3.069 624 HD2 PRO 89 1HD PRO 89 5.165 -10.219 3.670 625 HD3 PRO 89 2HD PRO 89 4.411 -8.633 3.930 626 H PHE 90 H PHE 90 2.684 -11.140 8.574 627 HA PHE 90 HA PHE 90 3.538 -13.885 7.997 628 HB2 PHE 90 1HB PHE 90 3.267 -14.092 10.558 629 HB3 PHE 90 2HB PHE 90 4.620 -13.152 9.940 630 HD1 PHE 90 1HD PHE 90 1.203 -12.875 11.336 631 HD2 PHE 90 2HD PHE 90 4.882 -10.898 10.513 632 HE1 PHE 90 1HE PHE 90 0.459 -10.943 12.666 633 HE2 PHE 90 2HE PHE 90 4.144 -8.964 11.843 634 HZ PHE 90 HZ PHE 90 1.930 -8.985 12.922 635 H GLU 91 H GLU 91 0.960 -12.657 7.148 636 HA GLU 91 HA GLU 91 -0.746 -14.817 8.068 637 HB2 GLU 91 1HB GLU 91 -1.215 -11.942 8.719 638 HB3 GLU 91 2HB GLU 91 -2.605 -12.948 8.336 639 HG2 GLU 91 1HG GLU 91 -0.594 -13.750 10.409 640 HG3 GLU 91 2HG GLU 91 -1.961 -12.703 10.784 641 H LYS 92 H LYS 92 -1.899 -15.597 6.427 642 HA LYS 92 HA LYS 92 -1.777 -14.305 3.858 643 HB2 LYS 92 1HB LYS 92 -2.662 -16.939 4.902 644 HB3 LYS 92 2HB LYS 92 -3.410 -16.390 3.407 645 HG2 LYS 92 1HG LYS 92 -0.832 -15.913 2.829 646 HG3 LYS 92 2HG LYS 92 -0.651 -17.277 3.935 647 HD2 LYS 92 1HD LYS 92 -0.828 -18.187 1.749 648 HD3 LYS 92 2HD LYS 92 -2.374 -18.484 2.547 649 HE2 LYS 92 1HE LYS 92 -2.081 -15.980 0.978 650 HE3 LYS 92 2HE LYS 92 -2.212 -17.495 0.086 651 HZ1 LYS 92 1HZ LYS 92 -4.204 -17.816 1.774 652 HZ2 LYS 92 2HZ LYS 92 -4.398 -17.016 0.297 653 HZ3 LYS 92 3HZ LYS 92 -4.200 -16.125 1.721 654 H GLY 93 H GLY 93 -3.132 -12.740 3.291 655 HA2 GLY 93 1HA GLY 93 -5.849 -12.938 3.035 656 HA3 GLY 93 2HA GLY 93 -5.619 -12.308 4.659 657 H LEU 94 H LEU 94 -6.954 -10.581 3.463 658 HA LEU 94 HA LEU 94 -5.283 -8.779 1.884 659 HB2 LEU 94 1HB LEU 94 -7.365 -8.986 0.891 660 HB3 LEU 94 2HB LEU 94 -8.211 -8.997 2.437 661 HG LEU 94 HG LEU 94 -7.671 -6.565 2.660 662 HD11 LEU 94 1HD1 LEU 94 -6.768 -6.902 -0.196 663 HD12 LEU 94 2HD1 LEU 94 -5.760 -6.451 1.179 664 HD13 LEU 94 3HD1 LEU 94 -7.026 -5.359 0.618 665 HD21 LEU 94 1HD2 LEU 94 -9.797 -6.532 1.989 666 HD22 LEU 94 2HD2 LEU 94 -9.537 -7.838 0.833 667 HD23 LEU 94 3HD2 LEU 94 -9.175 -6.172 0.379 668 H HIS 95 H HIS 95 -4.166 -7.235 2.857 669 HA HIS 95 HA HIS 95 -5.062 -6.277 5.488 670 HB2 HIS 95 1HB HIS 95 -2.362 -5.581 4.455 671 HB3 HIS 95 2HB HIS 95 -2.873 -5.979 6.093 672 HD2 HIS 95 2HD HIS 95 -0.499 -7.459 3.886 673 HE1 HIS 95 1HE HIS 95 -2.651 -10.854 5.242 674 HE2 HIS 95 2HE HIS 95 -0.518 -10.027 4.189 675 H VAL 96 H VAL 96 -4.790 -3.987 5.968 676 HA VAL 96 HA VAL 96 -5.251 -2.324 3.579 677 HB VAL 96 HB VAL 96 -6.220 -1.893 6.409 678 HG11 VAL 96 1HG1 VAL 96 -5.602 0.123 4.835 679 HG12 VAL 96 2HG1 VAL 96 -7.157 -0.267 4.097 680 HG13 VAL 96 3HG1 VAL 96 -7.071 0.147 5.809 681 HG21 VAL 96 1HG2 VAL 96 -8.473 -2.079 5.180 682 HG22 VAL 96 2HG2 VAL 96 -7.545 -2.850 3.894 683 HG23 VAL 96 3HG2 VAL 96 -7.577 -3.563 5.506 684 H VAL 97 H VAL 97 -3.412 -1.310 3.074 685 HA VAL 97 HA VAL 97 -1.598 -0.408 5.166 686 HB VAL 97 HB VAL 97 -1.341 -0.295 2.158 687 HG11 VAL 97 1HG1 VAL 97 -0.021 1.267 4.026 688 HG12 VAL 97 2HG1 VAL 97 1.109 -0.045 3.685 689 HG13 VAL 97 3HG1 VAL 97 0.492 0.954 2.368 690 HG21 VAL 97 1HG2 VAL 97 -0.791 -2.443 2.346 691 HG22 VAL 97 2HG2 VAL 97 0.632 -1.933 3.254 692 HG23 VAL 97 3HG2 VAL 97 -0.850 -2.366 4.107 693 H GLU 98 H GLU 98 -1.666 1.574 5.978 694 HA GLU 98 HA GLU 98 -3.104 3.658 4.486 695 HB2 GLU 98 1HB GLU 98 -2.641 3.157 7.401 696 HB3 GLU 98 2HB GLU 98 -2.946 4.798 6.847 697 HG2 GLU 98 1HG GLU 98 -5.097 4.279 6.110 698 HG3 GLU 98 2HG GLU 98 -4.778 2.545 6.116 699 H VAL 99 H VAL 99 -1.814 4.951 3.360 700 HA VAL 99 HA VAL 99 0.872 5.546 4.387 701 HB VAL 99 HB VAL 99 -0.237 6.065 1.625 702 HG11 VAL 99 1HG1 VAL 99 2.242 6.781 2.982 703 HG12 VAL 99 2HG1 VAL 99 2.501 5.935 1.455 704 HG13 VAL 99 3HG1 VAL 99 1.541 7.414 1.493 705 HG21 VAL 99 1HG2 VAL 99 1.037 3.695 2.850 706 HG22 VAL 99 2HG2 VAL 99 -0.118 3.803 1.522 707 HG23 VAL 99 3HG2 VAL 99 1.588 4.145 1.237 708 H THR 100 H THR 100 1.540 7.599 4.815 709 HA THR 100 HA THR 100 -0.266 9.828 4.239 710 HB THR 100 HB THR 100 0.153 10.692 6.600 711 HG1 THR 100 1HG THR 100 0.722 7.938 7.071 712 HG21 THR 100 1HG2 THR 100 -1.522 8.704 7.451 713 HG22 THR 100 2HG2 THR 100 -1.705 8.612 5.700 714 HG23 THR 100 3HG2 THR 100 -2.023 10.129 6.542 715 H TYR 101 H TYR 101 0.837 11.473 3.412 716 HA TYR 101 HA TYR 101 3.733 11.611 3.917 717 HB2 TYR 101 1HB TYR 101 2.963 11.268 1.547 718 HB3 TYR 101 2HB TYR 101 2.212 12.859 1.622 719 HD1 TYR 101 1HD TYR 101 3.904 14.757 2.518 720 HD2 TYR 101 2HD TYR 101 5.041 11.151 0.566 721 HE1 TYR 101 1HE TYR 101 6.031 15.797 1.849 722 HE2 TYR 101 2HE TYR 101 7.171 12.181 -0.107 723 HH TYR 101 HH TYR 101 8.648 14.156 0.861 724 H ASP 102 H ASP 102 4.404 13.182 5.202 725 HA ASP 102 HA ASP 102 4.448 15.087 6.451 726 HB2 ASP 102 1HB ASP 102 4.820 15.973 4.123 727 HB3 ASP 102 2HB ASP 102 3.100 16.350 4.060 728 H ASP 103 H ASP 103 2.307 13.459 7.068 729 HA ASP 103 HA ASP 103 0.392 13.483 8.299 730 HB2 ASP 103 1HB ASP 103 1.492 15.510 9.332 731 HB3 ASP 103 2HB ASP 103 0.551 16.498 8.217 732 H VAL 104 H VAL 104 0.353 13.517 5.396 733 HA VAL 104 HA VAL 104 -2.437 14.311 5.050 734 HB VAL 104 HB VAL 104 -0.257 15.139 3.129 735 HG11 VAL 104 1HG1 VAL 104 -2.944 16.208 2.732 736 HG12 VAL 104 2HG1 VAL 104 -1.805 15.536 1.563 737 HG13 VAL 104 3HG1 VAL 104 -2.839 14.462 2.507 738 HG21 VAL 104 1HG2 VAL 104 -0.374 16.533 5.146 739 HG22 VAL 104 2HG2 VAL 104 -0.878 17.419 3.706 740 HG23 VAL 104 3HG2 VAL 104 -2.088 16.819 4.840 741 HA PRO 105 HA PRO 105 -2.265 10.205 3.297 742 HB2 PRO 105 1HB PRO 105 -4.935 10.006 2.844 743 HB3 PRO 105 2HB PRO 105 -4.213 9.796 4.444 744 HG2 PRO 105 1HG PRO 105 -5.561 12.199 3.275 745 HG3 PRO 105 2HG PRO 105 -5.720 11.508 4.900 746 HD2 PRO 105 1HD PRO 105 -4.172 13.668 4.380 747 HD3 PRO 105 2HD PRO 105 -3.770 12.487 5.643 748 H ILE 106 H ILE 106 -2.368 9.331 1.243 749 HA ILE 106 HA ILE 106 -2.607 11.262 -0.923 750 HB ILE 106 HB ILE 106 -1.814 9.242 -2.309 751 HG12 ILE 106 1HG1 ILE 106 -0.930 8.233 0.392 752 HG13 ILE 106 2HG1 ILE 106 -2.393 7.646 -0.392 753 HG21 ILE 106 1HG2 ILE 106 0.540 9.548 -0.971 754 HG22 ILE 106 2HG2 ILE 106 -0.093 10.671 -2.173 755 HG23 ILE 106 3HG2 ILE 106 -0.356 10.977 -0.456 756 HD11 ILE 106 1HD1 ILE 106 0.295 6.819 -0.776 757 HD12 ILE 106 2HD1 ILE 106 -1.178 6.180 -1.507 758 HD13 ILE 106 3HD1 ILE 106 -0.307 7.500 -2.287 759 HA PRO 107 HA PRO 107 -6.510 9.933 -2.429 760 HB2 PRO 107 1HB PRO 107 -6.166 10.184 -5.110 761 HB3 PRO 107 2HB PRO 107 -6.322 11.572 -4.028 762 HG2 PRO 107 1HG PRO 107 -3.851 10.342 -5.187 763 HG3 PRO 107 2HG PRO 107 -4.273 12.056 -5.015 764 HD2 PRO 107 1HD PRO 107 -2.599 10.789 -3.305 765 HD3 PRO 107 2HD PRO 107 -3.666 12.113 -2.793 766 H ASN 108 H ASN 108 -3.817 8.063 -2.699 767 HA ASN 108 HA ASN 108 -5.097 6.010 -4.357 768 HB2 ASN 108 1HB ASN 108 -2.265 6.096 -3.296 769 HB3 ASN 108 2HB ASN 108 -2.911 4.946 -4.462 770 HD21 ASN 108 1HD2 ASN 108 -2.512 8.430 -3.967 771 HD22 ASN 108 2HD2 ASN 108 -2.159 8.798 -5.617 772 H SER 109 H SER 109 -4.362 6.814 -1.111 773 HA SER 109 HA SER 109 -4.709 4.054 -0.200 774 HB2 SER 109 1HB SER 109 -3.550 6.525 0.976 775 HB3 SER 109 2HB SER 109 -4.325 5.400 2.092 776 HG SER 109 HG SER 109 -2.288 4.734 0.228 777 HA PRO 110 HA PRO 110 -5.007 3.539 2.222 778 HB2 PRO 110 1HB PRO 110 -6.715 1.541 2.899 779 HB3 PRO 110 2HB PRO 110 -6.503 2.997 3.879 780 HG2 PRO 110 1HG PRO 110 -8.654 2.341 1.903 781 HG3 PRO 110 2HG PRO 110 -8.796 3.092 3.503 782 HD2 PRO 110 1HD PRO 110 -8.853 4.529 1.208 783 HD3 PRO 110 2HD PRO 110 -8.179 5.170 2.720 784 H PHE 111 H PHE 111 -4.148 1.472 1.651 785 HA PHE 111 HA PHE 111 -4.846 0.681 -1.083 786 HB2 PHE 111 1HB PHE 111 -2.367 0.405 0.589 787 HB3 PHE 111 2HB PHE 111 -2.609 -0.623 -0.820 788 HD1 PHE 111 1HD PHE 111 -3.122 0.575 -3.047 789 HD2 PHE 111 2HD PHE 111 -1.418 2.498 0.346 790 HE1 PHE 111 1HE PHE 111 -2.253 2.360 -4.500 791 HE2 PHE 111 2HE PHE 111 -0.547 4.287 -1.101 792 HZ PHE 111 HZ PHE 111 -0.965 4.220 -3.527 793 H LYS 112 H LYS 112 -4.626 -1.676 -1.593 794 HA LYS 112 HA LYS 112 -5.445 -3.394 0.644 795 HB2 LYS 112 1HB LYS 112 -6.906 -2.887 -1.917 796 HB3 LYS 112 2HB LYS 112 -6.995 -4.484 -1.185 797 HG2 LYS 112 1HG LYS 112 -8.225 -3.760 0.587 798 HG3 LYS 112 2HG LYS 112 -7.535 -2.136 0.546 799 HD2 LYS 112 1HD LYS 112 -9.627 -1.681 -0.252 800 HD3 LYS 112 2HD LYS 112 -8.808 -2.046 -1.772 801 HE2 LYS 112 1HE LYS 112 -10.112 -4.254 -0.246 802 HE3 LYS 112 2HE LYS 112 -11.114 -3.151 -1.189 803 HZ1 LYS 112 1HZ LYS 112 -9.213 -5.164 -2.091 804 HZ2 LYS 112 2HZ LYS 112 -9.261 -3.727 -2.982 805 HZ3 LYS 112 3HZ LYS 112 -10.665 -4.653 -2.794 806 H VAL 113 H VAL 113 -3.877 -4.859 0.789 807 HA VAL 113 HA VAL 113 -2.666 -5.901 -1.678 808 HB VAL 113 HB VAL 113 -1.669 -6.095 1.168 809 HG11 VAL 113 1HG1 VAL 113 -0.916 -8.000 -0.064 810 HG12 VAL 113 2HG1 VAL 113 -0.466 -6.997 -1.444 811 HG13 VAL 113 3HG1 VAL 113 0.434 -6.874 0.068 812 HG21 VAL 113 1HG2 VAL 113 -0.009 -4.471 0.544 813 HG22 VAL 113 2HG2 VAL 113 -0.601 -4.442 -1.117 814 HG23 VAL 113 3HG2 VAL 113 -1.606 -3.813 0.188 815 H ALA 114 H ALA 114 -3.547 -7.725 -2.386 816 HA ALA 114 HA ALA 114 -4.803 -9.572 -0.509 817 HB1 ALA 114 1HB ALA 114 -6.126 -9.068 -2.424 818 HB2 ALA 114 2HB ALA 114 -4.792 -9.439 -3.518 819 HB3 ALA 114 3HB ALA 114 -5.563 -10.731 -2.597 820 H VAL 115 H VAL 115 -3.118 -10.615 0.505 821 HA VAL 115 HA VAL 115 -0.864 -11.676 -0.872 822 HB VAL 115 HB VAL 115 -1.957 -12.337 1.866 823 HG11 VAL 115 1HG1 VAL 115 0.882 -12.809 1.144 824 HG12 VAL 115 2HG1 VAL 115 -0.156 -13.667 2.284 825 HG13 VAL 115 3HG1 VAL 115 -0.316 -13.959 0.552 826 HG21 VAL 115 1HG2 VAL 115 -1.314 -10.148 2.074 827 HG22 VAL 115 2HG2 VAL 115 0.217 -10.954 2.415 828 HG23 VAL 115 3HG2 VAL 115 -0.084 -10.273 0.817 829 H THR 116 H THR 116 -0.474 -13.685 -1.660 830 HA THR 116 HA THR 116 -2.661 -15.653 -1.489 831 HB THR 116 HB THR 116 -2.686 -14.708 -3.722 832 HG1 THR 116 1HG THR 116 -1.402 -17.110 -4.274 833 HG21 THR 116 1HG2 THR 116 0.217 -15.532 -3.870 834 HG22 THR 116 2HG2 THR 116 -0.394 -13.878 -3.823 835 HG23 THR 116 3HG2 THR 116 -0.740 -14.908 -5.212 836 H GLU 117 H GLU 117 -1.868 -17.898 -2.156 837 HA GLU 117 HA GLU 117 0.327 -18.587 -0.458 838 HB2 GLU 117 1HB GLU 117 -1.527 -20.135 -2.239 839 HB3 GLU 117 2HB GLU 117 -0.117 -20.914 -1.534 840 HG2 GLU 117 1HG GLU 117 -0.902 -20.477 0.682 841 HG3 GLU 117 2HG GLU 117 -2.227 -19.490 0.067 842 H GLY 118 H GLY 118 2.383 -18.346 -1.020 843 HA2 GLY 118 1HA GLY 118 3.119 -18.835 -3.841 844 HA3 GLY 118 2HA GLY 118 3.908 -17.633 -2.830 845 H CYS 119 H CYS 119 4.766 -18.669 -0.681 846 HA CYS 119 HA CYS 119 6.506 -20.852 -1.520 847 HB2 CYS 119 1HB CYS 119 7.856 -20.294 0.417 848 HB3 CYS 119 2HB CYS 119 7.487 -18.826 -0.480 849 HG CYS 119 HG CYS 119 7.243 -19.163 2.635 850 H GLN 120 H GLN 120 6.326 -22.884 -0.816 851 HA GLN 120 HA GLN 120 4.060 -23.789 0.549 852 HB2 GLN 120 1HB GLN 120 5.864 -25.028 -0.941 853 HB3 GLN 120 2HB GLN 120 6.572 -25.399 0.626 854 HG2 GLN 120 1HG GLN 120 5.185 -27.220 0.024 855 HG3 GLN 120 2HG GLN 120 4.364 -26.339 1.312 856 HE21 GLN 120 1HE2 GLN 120 4.147 -27.561 -1.829 857 HE22 GLN 120 2HE2 GLN 120 2.619 -26.875 -2.256 858 HA PRO 121 HA PRO 121 5.089 -22.864 4.749 859 HB2 PRO 121 1HB PRO 121 3.154 -24.368 5.917 860 HB3 PRO 121 2HB PRO 121 2.823 -22.823 5.124 861 HG2 PRO 121 1HG PRO 121 2.467 -25.605 4.077 862 HG3 PRO 121 2HG PRO 121 1.385 -24.208 3.931 863 HD2 PRO 121 1HD PRO 121 3.023 -24.997 1.925 864 HD3 PRO 121 2HD PRO 121 2.591 -23.296 2.192 865 H SER 122 H SER 122 7.106 -23.884 4.941 866 HA SER 122 HA SER 122 6.985 -26.602 6.066 867 HB2 SER 122 1HB SER 122 9.128 -25.523 4.219 868 HB3 SER 122 2HB SER 122 9.151 -27.105 4.998 869 HG SER 122 HG SER 122 7.391 -26.149 3.002 870 H SER 123 H SER 123 9.247 -27.074 7.145 871 HA SER 123 HA SER 123 10.108 -24.690 8.636 872 HB2 SER 123 1HB SER 123 10.223 -26.130 10.691 873 HB3 SER 123 2HB SER 123 8.585 -25.841 10.106 874 HG SER 123 HG SER 123 9.962 -28.181 10.336 875 H GLY 124 H GLY 124 12.261 -24.581 9.142 876 HA2 GLY 124 1HA GLY 124 13.956 -26.591 7.839 877 HA3 GLY 124 2HA GLY 124 14.447 -24.965 8.291 878 HA PRO 125 HA PRO 125 15.652 -28.270 11.512 879 HB2 PRO 125 1HB PRO 125 18.284 -28.509 10.889 880 HB3 PRO 125 2HB PRO 125 17.033 -29.539 10.184 881 HG2 PRO 125 1HG PRO 125 18.366 -27.120 9.031 882 HG3 PRO 125 2HG PRO 125 17.974 -28.662 8.247 883 HD2 PRO 125 1HD PRO 125 16.457 -26.441 7.933 884 HD3 PRO 125 2HD PRO 125 15.769 -28.078 7.917 885 H SER 126 H SER 126 16.630 -27.719 13.432 886 HA SER 126 HA SER 126 18.111 -25.180 13.517 887 HB2 SER 126 1HB SER 126 16.915 -24.614 15.628 888 HB3 SER 126 2HB SER 126 15.845 -24.674 14.228 889 HG SER 126 HG SER 126 15.710 -26.083 16.495 890 H SER 127 H SER 127 19.925 -25.234 14.692 891 HA SER 127 HA SER 127 20.607 -27.722 16.042 892 HB2 SER 127 1HB SER 127 22.885 -26.898 16.044 893 HB3 SER 127 2HB SER 127 22.197 -26.650 14.440 894 HG SER 127 HG SER 127 22.614 -24.732 16.480 895 H GLY 128 H GLY 128 20.428 -24.249 16.769 896 HA2 GLY 128 1HA GLY 128 19.358 -24.419 19.280 897 HA3 GLY 128 2HA GLY 128 21.086 -24.613 19.539 Start of MODEL 17 1 H1 GLY 1 H GLY 1 25.582 11.396 29.129 2 HA2 GLY 1 1HA GLY 1 24.754 12.906 30.684 3 HA3 GLY 1 2HA GLY 1 26.391 13.489 30.943 4 H SER 2 H SER 2 24.295 15.254 30.839 5 HA SER 2 HA SER 2 25.083 16.894 28.591 6 HB2 SER 2 1HB SER 2 23.305 15.728 27.502 7 HB3 SER 2 2HB SER 2 22.252 15.885 28.908 8 HG SER 2 HG SER 2 22.388 17.502 26.863 9 H SER 3 H SER 3 24.862 19.056 28.990 10 HA SER 3 HA SER 3 23.462 19.846 31.451 11 HB2 SER 3 1HB SER 3 26.211 20.809 30.623 12 HB3 SER 3 2HB SER 3 25.310 21.344 32.042 13 HG SER 3 HG SER 3 26.436 18.803 31.523 14 H GLY 4 H GLY 4 22.646 21.968 31.486 15 HA2 GLY 4 1HA GLY 4 22.045 24.038 30.601 16 HA3 GLY 4 2HA GLY 4 22.991 23.671 29.167 17 H SER 5 H SER 5 20.202 24.710 29.576 18 HA SER 5 HA SER 5 18.929 22.898 27.666 19 HB2 SER 5 1HB SER 5 18.193 22.556 30.174 20 HB3 SER 5 2HB SER 5 17.232 24.003 29.872 21 HG SER 5 HG SER 5 17.114 21.987 27.959 22 H SER 6 H SER 6 17.806 23.923 26.102 23 HA SER 6 HA SER 6 16.938 26.672 26.468 24 HB2 SER 6 1HB SER 6 19.074 25.853 24.503 25 HB3 SER 6 2HB SER 6 18.090 27.297 24.262 26 HG SER 6 HG SER 6 19.257 26.989 26.763 27 H GLY 7 H GLY 7 15.463 27.394 24.844 28 HA2 GLY 7 1HA GLY 7 14.656 26.241 22.535 29 HA3 GLY 7 2HA GLY 7 13.898 25.223 23.751 30 H HIS 8 H HIS 8 12.149 26.320 22.181 31 HA HIS 8 HA HIS 8 11.166 28.722 23.575 32 HB2 HIS 8 1HB HIS 8 10.949 27.845 20.712 33 HB3 HIS 8 2HB HIS 8 9.754 28.942 21.397 34 HD1 HIS 8 1HD HIS 8 10.322 31.172 20.482 35 HD2 HIS 8 2HD HIS 8 13.695 29.117 21.772 36 HE1 HIS 8 1HE HIS 8 12.233 32.787 20.224 37 H PHE 9 H PHE 9 8.637 28.879 23.163 38 HA PHE 9 HA PHE 9 7.422 26.251 23.652 39 HB2 PHE 9 1HB PHE 9 7.272 28.695 25.387 40 HB3 PHE 9 2HB PHE 9 5.936 27.548 25.358 41 HD1 PHE 9 2HD PHE 9 9.661 27.467 25.615 42 HD2 PHE 9 1HD PHE 9 5.931 25.958 27.001 43 HE1 PHE 9 2HE PHE 9 10.842 26.059 27.250 44 HE2 PHE 9 1HE PHE 9 7.106 24.548 28.639 45 HZ PHE 9 HZ PHE 9 9.565 24.596 28.764 46 HA PRO 10 HA PRO 10 5.023 28.400 20.406 47 HB2 PRO 10 1HB PRO 10 4.279 26.109 19.155 48 HB3 PRO 10 2HB PRO 10 5.832 26.900 18.865 49 HG2 PRO 10 1HG PRO 10 5.198 24.558 20.617 50 HG3 PRO 10 2HG PRO 10 6.567 24.792 19.514 51 HD2 PRO 10 1HD PRO 10 6.774 25.152 22.190 52 HD3 PRO 10 2HD PRO 10 7.722 26.096 21.023 53 H ALA 11 H ALA 11 2.724 28.049 19.715 54 HA ALA 11 HA ALA 11 1.134 27.037 21.981 55 HB1 ALA 11 1HB ALA 11 1.191 29.583 21.179 56 HB2 ALA 11 2HB ALA 11 -0.075 28.982 20.107 57 HB3 ALA 11 3HB ALA 11 -0.252 28.826 21.855 58 H ARG 12 H ARG 12 -1.195 26.511 21.275 59 HA ARG 12 HA ARG 12 -0.999 24.613 19.077 60 HB2 ARG 12 1HB ARG 12 -1.925 23.833 21.200 61 HB3 ARG 12 2HB ARG 12 -3.179 25.063 21.122 62 HG2 ARG 12 1HG ARG 12 -3.844 23.950 18.903 63 HG3 ARG 12 2HG ARG 12 -2.864 22.594 19.464 64 HD2 ARG 12 1HD ARG 12 -5.056 23.821 21.119 65 HD3 ARG 12 2HD ARG 12 -5.339 22.493 19.994 66 HE ARG 12 HE ARG 12 -4.056 22.349 22.564 67 HH11 ARG 12 1HH1 ARG 12 -4.393 20.853 19.438 68 HH12 ARG 12 2HH1 ARG 12 -3.923 19.281 19.995 69 HH21 ARG 12 1HH2 ARG 12 -3.436 20.284 23.309 70 HH22 ARG 12 2HH2 ARG 12 -3.379 18.958 22.197 71 H VAL 13 H VAL 13 -1.665 25.106 17.103 72 HA VAL 13 HA VAL 13 -4.016 26.804 16.747 73 HB VAL 13 HB VAL 13 -1.430 27.334 15.279 74 HG11 VAL 13 1HG1 VAL 13 -2.565 28.669 13.891 75 HG12 VAL 13 2HG1 VAL 13 -4.003 27.816 14.455 76 HG13 VAL 13 3HG1 VAL 13 -3.537 29.347 15.197 77 HG21 VAL 13 1HG2 VAL 13 -1.872 29.620 16.560 78 HG22 VAL 13 2HG2 VAL 13 -2.633 28.526 17.716 79 HG23 VAL 13 3HG2 VAL 13 -0.938 28.307 17.279 80 H LYS 14 H LYS 14 -5.220 26.320 14.958 81 HA LYS 14 HA LYS 14 -5.333 23.851 13.892 82 HB2 LYS 14 1HB LYS 14 -6.974 25.689 13.492 83 HB3 LYS 14 2HB LYS 14 -5.877 26.357 12.290 84 HG2 LYS 14 1HG LYS 14 -7.380 25.167 11.007 85 HG3 LYS 14 2HG LYS 14 -6.040 24.031 11.182 86 HD2 LYS 14 1HD LYS 14 -7.199 22.705 12.700 87 HD3 LYS 14 2HD LYS 14 -8.321 24.000 13.123 88 HE2 LYS 14 1HE LYS 14 -8.227 22.733 10.395 89 HE3 LYS 14 2HE LYS 14 -9.256 22.134 11.695 90 HZ1 LYS 14 1HZ LYS 14 -10.749 23.621 11.059 91 HZ2 LYS 14 2HZ LYS 14 -9.682 24.326 9.953 92 HZ3 LYS 14 3HZ LYS 14 -9.704 24.854 11.560 93 H VAL 15 H VAL 15 -4.565 22.755 12.078 94 HA VAL 15 HA VAL 15 -2.244 23.964 10.728 95 HB VAL 15 HB VAL 15 -2.441 21.112 11.706 96 HG11 VAL 15 1HG1 VAL 15 -0.479 20.617 10.619 97 HG12 VAL 15 2HG1 VAL 15 -1.228 21.718 9.461 98 HG13 VAL 15 3HG1 VAL 15 0.034 22.302 10.546 99 HG21 VAL 15 1HG2 VAL 15 -0.223 22.066 12.853 100 HG22 VAL 15 2HG2 VAL 15 -1.157 23.559 12.765 101 HG23 VAL 15 3HG2 VAL 15 -1.810 22.160 13.617 102 H GLU 16 H GLU 16 -2.624 24.113 8.625 103 HA GLU 16 HA GLU 16 -4.415 22.148 7.367 104 HB2 GLU 16 1HB GLU 16 -4.927 23.784 5.707 105 HB3 GLU 16 2HB GLU 16 -5.051 24.576 7.272 106 HG2 GLU 16 1HG GLU 16 -2.679 25.385 6.885 107 HG3 GLU 16 2HG GLU 16 -2.882 24.847 5.219 108 HA PRO 17 HA PRO 17 -1.126 20.474 4.985 109 HB2 PRO 17 1HB PRO 17 -2.475 19.709 2.756 110 HB3 PRO 17 2HB PRO 17 -2.618 18.865 4.302 111 HG2 PRO 17 1HG PRO 17 -4.446 20.893 3.076 112 HG3 PRO 17 2HG PRO 17 -4.851 19.386 3.917 113 HD2 PRO 17 1HD PRO 17 -4.999 21.808 5.117 114 HD3 PRO 17 2HD PRO 17 -4.578 20.328 6.003 115 H ALA 18 H ALA 18 0.428 21.542 3.951 116 HA ALA 18 HA ALA 18 -0.339 23.518 1.902 117 HB1 ALA 18 1HB ALA 18 0.744 24.435 3.959 118 HB2 ALA 18 2HB ALA 18 2.197 23.530 3.528 119 HB3 ALA 18 3HB ALA 18 1.598 24.798 2.459 120 H VAL 19 H VAL 19 0.438 20.512 1.884 121 HA VAL 19 HA VAL 19 2.459 20.756 -0.249 122 HB VAL 19 HB VAL 19 3.319 19.613 1.798 123 HG11 VAL 19 1HG1 VAL 19 2.412 17.702 2.664 124 HG12 VAL 19 2HG1 VAL 19 0.944 18.494 2.086 125 HG13 VAL 19 3HG1 VAL 19 1.693 17.215 1.130 126 HG21 VAL 19 1HG2 VAL 19 4.031 17.488 0.495 127 HG22 VAL 19 2HG2 VAL 19 3.151 18.220 -0.847 128 HG23 VAL 19 3HG2 VAL 19 4.512 19.071 -0.116 129 H ASP 20 H ASP 20 2.244 19.383 -2.049 130 HA ASP 20 HA ASP 20 -0.509 18.556 -2.551 131 HB2 ASP 20 1HB ASP 20 0.669 18.134 -4.915 132 HB3 ASP 20 2HB ASP 20 0.114 19.728 -4.410 133 H THR 21 H THR 21 -1.019 16.543 -2.011 134 HA THR 21 HA THR 21 0.891 14.397 -2.667 135 HB THR 21 HB THR 21 0.215 13.151 -0.706 136 HG1 THR 21 1HG THR 21 -1.954 14.036 -0.610 137 HG21 THR 21 1HG2 THR 21 1.202 15.944 -0.344 138 HG22 THR 21 2HG2 THR 21 2.039 14.413 -0.092 139 HG23 THR 21 3HG2 THR 21 0.851 14.972 1.085 140 H SER 22 H SER 22 -1.004 15.179 -4.481 141 HA SER 22 HA SER 22 -3.047 13.062 -4.291 142 HB2 SER 22 1HB SER 22 -3.953 15.386 -4.326 143 HB3 SER 22 2HB SER 22 -3.204 15.619 -5.905 144 HG SER 22 HG SER 22 -5.457 14.969 -5.948 145 H ARG 23 H ARG 23 -0.269 14.069 -5.884 146 HA ARG 23 HA ARG 23 -0.924 12.515 -8.294 147 HB2 ARG 23 1HB ARG 23 1.283 14.527 -7.819 148 HB3 ARG 23 2HB ARG 23 1.035 13.636 -9.315 149 HG2 ARG 23 1HG ARG 23 -1.033 14.740 -9.723 150 HG3 ARG 23 2HG ARG 23 -1.022 15.473 -8.118 151 HD2 ARG 23 1HD ARG 23 0.691 16.952 -8.672 152 HD3 ARG 23 2HD ARG 23 1.202 15.987 -10.056 153 HE ARG 23 HE ARG 23 -1.424 16.907 -10.473 154 HH11 ARG 23 1HH1 ARG 23 1.855 18.069 -10.339 155 HH12 ARG 23 2HH1 ARG 23 1.570 19.388 -11.427 156 HH21 ARG 23 1HH2 ARG 23 -1.812 18.640 -11.906 157 HH22 ARG 23 2HH2 ARG 23 -0.516 19.712 -12.316 158 H ILE 24 H ILE 24 0.204 11.838 -5.427 159 HA ILE 24 HA ILE 24 2.753 10.669 -5.915 160 HB ILE 24 HB ILE 24 0.742 10.321 -3.703 161 HG12 ILE 24 1HG1 ILE 24 3.474 11.604 -3.888 162 HG13 ILE 24 2HG1 ILE 24 1.932 12.426 -3.677 163 HG21 ILE 24 1HG2 ILE 24 1.664 8.362 -3.197 164 HG22 ILE 24 2HG2 ILE 24 2.907 8.556 -4.433 165 HG23 ILE 24 3HG2 ILE 24 3.148 9.240 -2.825 166 HD11 ILE 24 1HD1 ILE 24 2.179 12.304 -1.488 167 HD12 ILE 24 2HD1 ILE 24 2.208 10.543 -1.581 168 HD13 ILE 24 3HD1 ILE 24 3.711 11.457 -1.702 169 H LYS 25 H LYS 25 3.207 8.858 -6.962 170 HA LYS 25 HA LYS 25 1.083 6.838 -7.269 171 HB2 LYS 25 1HB LYS 25 3.108 7.918 -9.161 172 HB3 LYS 25 2HB LYS 25 2.718 6.208 -9.289 173 HG2 LYS 25 1HG LYS 25 0.524 6.618 -9.897 174 HG3 LYS 25 2HG LYS 25 0.535 8.248 -9.220 175 HD2 LYS 25 1HD LYS 25 2.409 8.605 -11.055 176 HD3 LYS 25 2HD LYS 25 1.568 7.260 -11.830 177 HE2 LYS 25 1HE LYS 25 0.496 9.128 -12.702 178 HE3 LYS 25 2HE LYS 25 -0.569 8.634 -11.387 179 HZ1 LYS 25 1HZ LYS 25 0.242 11.118 -11.694 180 HZ2 LYS 25 2HZ LYS 25 1.526 10.559 -10.746 181 HZ3 LYS 25 3HZ LYS 25 -0.060 10.454 -10.168 182 H VAL 26 H VAL 26 1.541 4.718 -6.850 183 HA VAL 26 HA VAL 26 4.260 4.112 -5.885 184 HB VAL 26 HB VAL 26 3.208 2.521 -4.272 185 HG11 VAL 26 1HG1 VAL 26 3.817 5.081 -3.920 186 HG12 VAL 26 2HG1 VAL 26 2.086 5.182 -3.591 187 HG13 VAL 26 3HG1 VAL 26 3.104 4.102 -2.638 188 HG21 VAL 26 1HG2 VAL 26 0.683 3.908 -5.159 189 HG22 VAL 26 2HG2 VAL 26 1.063 2.191 -5.299 190 HG23 VAL 26 3HG2 VAL 26 0.814 2.912 -3.709 191 H PHE 27 H PHE 27 5.175 2.253 -6.580 192 HA PHE 27 HA PHE 27 3.510 0.311 -8.012 193 HB2 PHE 27 1HB PHE 27 5.546 0.189 -9.662 194 HB3 PHE 27 2HB PHE 27 4.307 1.420 -9.881 195 HD1 PHE 27 2HD PHE 27 7.713 0.799 -8.609 196 HD2 PHE 27 1HD PHE 27 4.817 3.717 -9.711 197 HE1 PHE 27 2HE PHE 27 9.439 2.549 -8.500 198 HE2 PHE 27 1HE PHE 27 6.539 5.471 -9.605 199 HZ PHE 27 HZ PHE 27 8.853 4.888 -8.997 200 H GLY 28 H GLY 28 4.183 -1.802 -7.865 201 HA2 GLY 28 1HA GLY 28 6.390 -3.115 -7.465 202 HA3 GLY 28 2HA GLY 28 6.332 -2.282 -5.919 203 HA PRO 29 HA PRO 29 3.872 -6.348 -5.919 204 HB2 PRO 29 1HB PRO 29 5.584 -7.824 -4.416 205 HB3 PRO 29 2HB PRO 29 5.657 -7.770 -6.181 206 HG2 PRO 29 1HG PRO 29 7.305 -6.284 -4.172 207 HG3 PRO 29 2HG PRO 29 7.820 -7.089 -5.666 208 HD2 PRO 29 1HD PRO 29 7.460 -4.410 -5.504 209 HD3 PRO 29 2HD PRO 29 7.154 -5.326 -6.994 210 H GLY 30 H GLY 30 5.810 -4.708 -3.452 211 HA2 GLY 30 1HA GLY 30 4.449 -5.665 -1.187 212 HA3 GLY 30 2HA GLY 30 5.357 -4.163 -1.270 213 H ILE 31 H ILE 31 3.340 -3.621 -3.638 214 HA ILE 31 HA ILE 31 1.154 -2.679 -1.899 215 HB ILE 31 HB ILE 31 2.667 -0.843 -2.685 216 HG12 ILE 31 1HG1 ILE 31 0.780 0.599 -3.537 217 HG13 ILE 31 2HG1 ILE 31 -0.217 -0.850 -3.589 218 HG21 ILE 31 1HG2 ILE 31 2.162 -0.178 -5.144 219 HG22 ILE 31 2HG2 ILE 31 3.380 -1.408 -4.809 220 HG23 ILE 31 3HG2 ILE 31 1.766 -1.886 -5.336 221 HD11 ILE 31 1HD1 ILE 31 1.004 -0.634 -1.019 222 HD12 ILE 31 2HD1 ILE 31 0.204 0.884 -1.428 223 HD13 ILE 31 3HD1 ILE 31 -0.706 -0.627 -1.448 224 H GLU 32 H GLU 32 2.076 -4.375 -4.711 225 HA GLU 32 HA GLU 32 -0.586 -4.220 -5.900 226 HB2 GLU 32 1HB GLU 32 2.006 -5.451 -6.827 227 HB3 GLU 32 2HB GLU 32 0.486 -5.687 -7.678 228 HG2 GLU 32 1HG GLU 32 1.334 -2.908 -7.078 229 HG3 GLU 32 2HG GLU 32 2.180 -3.786 -8.351 230 H GLY 33 H GLY 33 1.682 -6.697 -4.715 231 HA2 GLY 33 1HA GLY 33 0.846 -8.431 -3.232 232 HA3 GLY 33 2HA GLY 33 -0.660 -8.398 -4.137 233 H LYS 34 H LYS 34 2.709 -8.547 -5.256 234 HA LYS 34 HA LYS 34 1.991 -10.865 -6.890 235 HB2 LYS 34 1HB LYS 34 4.611 -9.389 -6.988 236 HB3 LYS 34 2HB LYS 34 3.862 -10.369 -8.241 237 HG2 LYS 34 1HG LYS 34 1.982 -8.494 -8.008 238 HG3 LYS 34 2HG LYS 34 3.382 -7.552 -7.489 239 HD2 LYS 34 1HD LYS 34 3.397 -9.189 -10.012 240 HD3 LYS 34 2HD LYS 34 2.815 -7.523 -9.976 241 HE2 LYS 34 1HE LYS 34 5.002 -6.827 -9.046 242 HE3 LYS 34 2HE LYS 34 5.568 -8.489 -9.210 243 HZ1 LYS 34 1HZ LYS 34 6.198 -7.927 -11.248 244 HZ2 LYS 34 2HZ LYS 34 5.389 -6.443 -11.184 245 HZ3 LYS 34 3HZ LYS 34 4.563 -7.836 -11.675 246 H ASP 35 H ASP 35 4.985 -9.922 -5.205 247 HA ASP 35 HA ASP 35 5.316 -12.729 -4.404 248 HB2 ASP 35 1HB ASP 35 7.695 -12.165 -4.078 249 HB3 ASP 35 2HB ASP 35 7.160 -11.819 -5.720 250 H VAL 36 H VAL 36 3.536 -10.934 -3.012 251 HA VAL 36 HA VAL 36 4.916 -10.283 -0.530 252 HB VAL 36 HB VAL 36 1.987 -9.937 -1.177 253 HG11 VAL 36 1HG1 VAL 36 2.823 -7.996 0.626 254 HG12 VAL 36 2HG1 VAL 36 1.853 -9.426 0.987 255 HG13 VAL 36 3HG1 VAL 36 3.606 -9.478 1.176 256 HG21 VAL 36 1HG2 VAL 36 4.011 -7.732 -1.266 257 HG22 VAL 36 2HG2 VAL 36 3.718 -8.742 -2.682 258 HG23 VAL 36 3HG2 VAL 36 2.401 -7.798 -1.984 259 H PHE 37 H PHE 37 4.041 -13.072 -1.690 260 HA PHE 37 HA PHE 37 2.170 -14.361 -0.239 261 HB2 PHE 37 1HB PHE 37 4.896 -15.605 -0.465 262 HB3 PHE 37 2HB PHE 37 3.318 -16.369 -0.623 263 HD1 PHE 37 1HD PHE 37 1.863 -15.155 -2.598 264 HD2 PHE 37 2HD PHE 37 6.102 -15.488 -2.400 265 HE1 PHE 37 1HE PHE 37 1.993 -14.919 -5.044 266 HE2 PHE 37 2HE PHE 37 6.238 -15.251 -4.845 267 HZ PHE 37 HZ PHE 37 4.182 -14.966 -6.170 268 H ARG 38 H ARG 38 2.110 -15.537 1.739 269 HA ARG 38 HA ARG 38 2.897 -14.138 3.989 270 HB2 ARG 38 1HB ARG 38 1.154 -15.964 3.840 271 HB3 ARG 38 2HB ARG 38 2.473 -17.125 3.913 272 HG2 ARG 38 1HG ARG 38 3.063 -16.452 6.106 273 HG3 ARG 38 2HG ARG 38 2.007 -15.041 6.026 274 HD2 ARG 38 1HD ARG 38 0.084 -16.304 6.264 275 HD3 ARG 38 2HD ARG 38 0.860 -17.778 5.687 276 HE ARG 38 HE ARG 38 0.799 -16.792 8.385 277 HH11 ARG 38 1HH1 ARG 38 2.516 -18.784 6.104 278 HH12 ARG 38 2HH1 ARG 38 3.249 -19.774 7.322 279 HH21 ARG 38 1HH2 ARG 38 1.758 -18.089 9.998 280 HH22 ARG 38 2HH2 ARG 38 2.817 -19.378 9.537 281 H GLU 39 H GLU 39 4.619 -14.180 5.361 282 HA GLU 39 HA GLU 39 6.757 -14.489 6.076 283 HB2 GLU 39 1HB GLU 39 6.320 -17.204 4.826 284 HB3 GLU 39 2HB GLU 39 7.736 -16.780 5.778 285 HG2 GLU 39 1HG GLU 39 6.097 -16.177 7.634 286 HG3 GLU 39 2HG GLU 39 4.890 -17.034 6.677 287 H ALA 40 H ALA 40 6.241 -13.315 3.467 288 HA ALA 40 HA ALA 40 8.783 -13.978 2.126 289 HB1 ALA 40 1HB ALA 40 6.690 -14.529 0.844 290 HB2 ALA 40 2HB ALA 40 6.369 -12.795 0.773 291 HB3 ALA 40 3HB ALA 40 7.822 -13.455 0.021 292 H THR 41 H THR 41 10.114 -12.311 1.494 293 HA THR 41 HA THR 41 9.659 -9.775 2.836 294 HB THR 41 HB THR 41 12.060 -10.754 1.277 295 HG1 THR 41 1HG THR 41 12.793 -10.607 3.682 296 HG21 THR 41 1HG2 THR 41 12.318 -8.461 1.203 297 HG22 THR 41 2HG2 THR 41 13.111 -8.843 2.732 298 HG23 THR 41 3HG2 THR 41 11.465 -8.210 2.726 299 H THR 42 H THR 42 8.332 -8.440 1.755 300 HA THR 42 HA THR 42 8.980 -7.874 -1.064 301 HB THR 42 HB THR 42 6.810 -9.104 -0.791 302 HG1 THR 42 1HG THR 42 7.107 -6.589 -1.979 303 HG21 THR 42 1HG2 THR 42 5.044 -8.286 0.406 304 HG22 THR 42 2HG2 THR 42 5.542 -6.607 0.201 305 HG23 THR 42 3HG2 THR 42 6.361 -7.632 1.378 306 H ASP 43 H ASP 43 8.780 -5.724 -1.750 307 HA ASP 43 HA ASP 43 8.070 -3.681 0.187 308 HB2 ASP 43 1HB ASP 43 10.195 -2.491 0.005 309 HB3 ASP 43 2HB ASP 43 10.452 -4.108 0.654 310 H PHE 44 H PHE 44 7.427 -1.771 -0.741 311 HA PHE 44 HA PHE 44 7.266 -1.792 -3.675 312 HB2 PHE 44 1HB PHE 44 5.384 -0.199 -3.381 313 HB3 PHE 44 2HB PHE 44 5.099 -1.743 -2.585 314 HD1 PHE 44 2HD PHE 44 5.145 -1.916 -0.152 315 HD2 PHE 44 1HD PHE 44 5.645 1.822 -2.125 316 HE1 PHE 44 2HE PHE 44 4.701 -0.743 1.965 317 HE2 PHE 44 1HE PHE 44 5.203 3.001 -0.011 318 HZ PHE 44 HZ PHE 44 4.729 1.718 2.037 319 H THR 45 H THR 45 7.042 0.566 -4.561 320 HA THR 45 HA THR 45 9.087 2.265 -3.296 321 HB THR 45 HB THR 45 8.816 1.858 -6.279 322 HG1 THR 45 1HG THR 45 9.860 0.063 -5.805 323 HG21 THR 45 1HG2 THR 45 10.555 3.328 -6.551 324 HG22 THR 45 2HG2 THR 45 11.221 3.007 -4.949 325 HG23 THR 45 3HG2 THR 45 9.793 4.028 -5.123 326 H VAL 46 H VAL 46 8.613 4.386 -3.163 327 HA VAL 46 HA VAL 46 6.106 5.284 -4.424 328 HB VAL 46 HB VAL 46 7.452 6.368 -1.945 329 HG11 VAL 46 1HG1 VAL 46 5.991 7.865 -3.538 330 HG12 VAL 46 2HG1 VAL 46 4.659 7.029 -2.738 331 HG13 VAL 46 3HG1 VAL 46 5.814 7.962 -1.786 332 HG21 VAL 46 1HG2 VAL 46 5.313 4.358 -2.390 333 HG22 VAL 46 2HG2 VAL 46 6.552 4.434 -1.137 334 HG23 VAL 46 3HG2 VAL 46 5.129 5.470 -1.033 335 H ASP 47 H ASP 47 6.250 6.771 -5.961 336 HA ASP 47 HA ASP 47 8.788 8.168 -6.352 337 HB2 ASP 47 1HB ASP 47 7.346 6.889 -8.171 338 HB3 ASP 47 2HB ASP 47 6.506 8.434 -8.259 339 H SER 48 H SER 48 9.055 10.224 -5.803 340 HA SER 48 HA SER 48 6.679 11.942 -5.548 341 HB2 SER 48 1HB SER 48 7.557 12.926 -3.520 342 HB3 SER 48 2HB SER 48 7.488 11.177 -3.308 343 HG SER 48 HG SER 48 9.851 11.725 -4.327 344 H ARG 49 H ARG 49 6.825 13.794 -6.630 345 HA ARG 49 HA ARG 49 9.483 14.643 -7.573 346 HB2 ARG 49 1HB ARG 49 6.819 14.543 -8.853 347 HB3 ARG 49 2HB ARG 49 7.777 15.977 -9.197 348 HG2 ARG 49 1HG ARG 49 8.686 13.137 -9.620 349 HG3 ARG 49 2HG ARG 49 8.083 14.220 -10.876 350 HD2 ARG 49 1HD ARG 49 10.260 15.316 -9.239 351 HD3 ARG 49 2HD ARG 49 10.702 13.915 -10.214 352 HE ARG 49 HE ARG 49 10.072 16.558 -11.158 353 HH11 ARG 49 1HH1 ARG 49 10.215 13.177 -11.977 354 HH12 ARG 49 2HH1 ARG 49 10.374 13.462 -13.679 355 HH21 ARG 49 1HH2 ARG 49 10.280 16.946 -13.396 356 HH22 ARG 49 2HH2 ARG 49 10.411 15.607 -14.485 357 HA PRO 50 HA PRO 50 7.393 18.822 -6.513 358 HB2 PRO 50 1HB PRO 50 4.768 18.827 -5.819 359 HB3 PRO 50 2HB PRO 50 5.319 18.940 -7.495 360 HG2 PRO 50 1HG PRO 50 4.323 16.554 -5.986 361 HG3 PRO 50 2HG PRO 50 3.953 17.064 -7.643 362 HD2 PRO 50 1HD PRO 50 5.745 15.113 -7.086 363 HD3 PRO 50 2HD PRO 50 5.914 16.194 -8.484 364 H LEU 51 H LEU 51 7.593 16.132 -4.724 365 HA LEU 51 HA LEU 51 6.933 17.482 -2.193 366 HB2 LEU 51 1HB LEU 51 7.466 14.549 -2.416 367 HB3 LEU 51 2HB LEU 51 6.526 15.422 -1.207 368 HG LEU 51 HG LEU 51 5.715 14.713 -4.019 369 HD11 LEU 51 1HD1 LEU 51 3.836 14.099 -1.949 370 HD12 LEU 51 2HD1 LEU 51 5.414 13.428 -1.539 371 HD13 LEU 51 3HD1 LEU 51 4.652 13.014 -3.074 372 HD21 LEU 51 1HD2 LEU 51 3.863 16.147 -2.198 373 HD22 LEU 51 2HD2 LEU 51 3.950 16.148 -3.959 374 HD23 LEU 51 3HD2 LEU 51 5.104 17.095 -3.018 375 H THR 52 H THR 52 9.384 15.562 -3.863 376 HA THR 52 HA THR 52 11.538 16.921 -2.662 377 HB THR 52 HB THR 52 10.731 15.516 -0.705 378 HG1 THR 52 1HG THR 52 13.066 16.243 -1.353 379 HG21 THR 52 1HG2 THR 52 12.051 13.240 -2.164 380 HG22 THR 52 2HG2 THR 52 10.307 13.496 -2.208 381 HG23 THR 52 3HG2 THR 52 11.115 13.191 -0.671 382 H GLN 53 H GLN 53 13.541 16.321 -3.532 383 HA GLN 53 HA GLN 53 13.385 14.324 -5.693 384 HB2 GLN 53 1HB GLN 53 15.146 16.777 -5.599 385 HB3 GLN 53 2HB GLN 53 14.986 15.651 -6.941 386 HG2 GLN 53 1HG GLN 53 13.649 17.363 -7.644 387 HG3 GLN 53 2HG GLN 53 12.471 16.330 -6.836 388 HE21 GLN 53 1HE2 GLN 53 11.112 17.377 -5.592 389 HE22 GLN 53 2HE2 GLN 53 11.426 18.845 -4.737 390 H VAL 54 H VAL 54 15.363 15.692 -3.127 391 HA VAL 54 HA VAL 54 17.291 13.495 -3.466 392 HB VAL 54 HB VAL 54 18.858 14.798 -2.152 393 HG11 VAL 54 1HG1 VAL 54 17.688 15.749 -4.642 394 HG12 VAL 54 2HG1 VAL 54 18.523 17.019 -3.744 395 HG13 VAL 54 3HG1 VAL 54 19.380 15.544 -4.191 396 HG21 VAL 54 1HG2 VAL 54 17.445 17.310 -2.078 397 HG22 VAL 54 2HG2 VAL 54 16.571 16.070 -1.178 398 HG23 VAL 54 3HG2 VAL 54 18.248 16.436 -0.774 399 H GLY 55 H GLY 55 14.751 13.031 -2.258 400 HA2 GLY 55 1HA GLY 55 14.118 11.644 -0.496 401 HA3 GLY 55 2HA GLY 55 15.670 11.950 0.270 402 H GLY 56 H GLY 56 13.100 11.931 1.551 403 HA2 GLY 56 1HA GLY 56 13.134 14.685 2.587 404 HA3 GLY 56 2HA GLY 56 11.603 13.949 2.138 405 H ASP 57 H ASP 57 12.140 11.331 3.086 406 HA ASP 57 HA ASP 57 12.049 10.054 4.971 407 HB2 ASP 57 1HB ASP 57 14.218 11.439 5.436 408 HB3 ASP 57 2HB ASP 57 13.210 12.281 6.611 409 H HIS 58 H HIS 58 9.939 11.948 4.203 410 HA HIS 58 HA HIS 58 8.673 12.330 6.838 411 HB2 HIS 58 1HB HIS 58 8.683 14.000 4.375 412 HB3 HIS 58 2HB HIS 58 7.192 13.947 5.311 413 HD1 HIS 58 1HD HIS 58 7.192 16.169 6.440 414 HD2 HIS 58 2HD HIS 58 10.842 14.218 6.804 415 HE1 HIS 58 1HE HIS 58 8.556 17.582 8.011 416 H ILE 59 H ILE 59 8.680 9.895 5.256 417 HA ILE 59 HA ILE 59 5.872 9.738 4.401 418 HB ILE 59 HB ILE 59 8.219 7.938 3.807 419 HG12 ILE 59 1HG1 ILE 59 8.139 9.975 2.469 420 HG13 ILE 59 2HG1 ILE 59 7.737 8.583 1.469 421 HG21 ILE 59 1HG2 ILE 59 6.676 6.300 3.779 422 HG22 ILE 59 2HG2 ILE 59 5.327 7.430 3.677 423 HG23 ILE 59 3HG2 ILE 59 6.233 7.006 2.225 424 HD11 ILE 59 1HD1 ILE 59 6.136 10.917 2.178 425 HD12 ILE 59 2HD1 ILE 59 6.025 9.837 0.788 426 HD13 ILE 59 3HD1 ILE 59 5.280 9.381 2.319 427 H LYS 60 H LYS 60 4.486 8.204 5.240 428 HA LYS 60 HA LYS 60 5.478 6.558 7.460 429 HB2 LYS 60 1HB LYS 60 4.521 8.449 8.562 430 HB3 LYS 60 2HB LYS 60 3.110 8.427 7.512 431 HG2 LYS 60 1HG LYS 60 2.486 7.575 9.655 432 HG3 LYS 60 2HG LYS 60 2.473 6.243 8.497 433 HD2 LYS 60 1HD LYS 60 3.567 5.292 10.294 434 HD3 LYS 60 2HD LYS 60 4.920 5.872 9.319 435 HE2 LYS 60 1HE LYS 60 4.548 8.049 10.788 436 HE3 LYS 60 2HE LYS 60 3.867 6.873 11.911 437 HZ1 LYS 60 1HZ LYS 60 6.601 7.360 11.228 438 HZ2 LYS 60 2HZ LYS 60 6.193 5.726 11.077 439 HZ3 LYS 60 3HZ LYS 60 5.954 6.525 12.549 440 H ALA 61 H ALA 61 4.544 4.569 7.656 441 HA ALA 61 HA ALA 61 2.247 3.938 5.944 442 HB1 ALA 61 1HB ALA 61 3.550 2.853 4.504 443 HB2 ALA 61 2HB ALA 61 4.960 3.015 5.551 444 HB3 ALA 61 3HB ALA 61 3.841 1.672 5.781 445 H HIS 62 H HIS 62 1.010 2.146 6.620 446 HA HIS 62 HA HIS 62 1.737 0.786 9.079 447 HB2 HIS 62 1HB HIS 62 0.663 2.791 9.941 448 HB3 HIS 62 2HB HIS 62 -0.725 2.534 8.887 449 HD1 HIS 62 1HD HIS 62 -2.046 2.610 11.240 450 HD2 HIS 62 2HD HIS 62 0.359 -0.711 10.572 451 HE1 HIS 62 1HE HIS 62 -2.816 0.879 12.894 452 H ILE 63 H ILE 63 1.396 -1.275 8.602 453 HA ILE 63 HA ILE 63 -0.652 -2.021 6.675 454 HB ILE 63 HB ILE 63 1.398 -3.724 8.097 455 HG12 ILE 63 1HG1 ILE 63 1.431 -3.090 5.171 456 HG13 ILE 63 2HG1 ILE 63 2.046 -1.900 6.313 457 HG21 ILE 63 1HG2 ILE 63 0.021 -5.389 7.497 458 HG22 ILE 63 2HG2 ILE 63 -0.879 -4.372 6.374 459 HG23 ILE 63 3HG2 ILE 63 0.646 -5.103 5.873 460 HD11 ILE 63 1HD1 ILE 63 3.014 -4.741 6.113 461 HD12 ILE 63 2HD1 ILE 63 3.798 -3.347 5.369 462 HD13 ILE 63 3HD1 ILE 63 3.683 -3.461 7.125 463 H ALA 64 H ALA 64 -2.357 -3.424 7.095 464 HA ALA 64 HA ALA 64 -2.861 -4.131 9.897 465 HB1 ALA 64 1HB ALA 64 -5.111 -3.305 9.837 466 HB2 ALA 64 2HB ALA 64 -4.023 -1.994 9.378 467 HB3 ALA 64 3HB ALA 64 -4.947 -2.847 8.141 468 H ASN 65 H ASN 65 -3.082 -6.265 9.932 469 HA ASN 65 HA ASN 65 -3.722 -7.810 7.634 470 HB2 ASN 65 1HB ASN 65 -3.435 -8.476 10.560 471 HB3 ASN 65 2HB ASN 65 -3.890 -9.692 9.371 472 HD21 ASN 65 1HD2 ASN 65 -1.529 -9.581 11.028 473 HD22 ASN 65 2HD2 ASN 65 -0.175 -9.554 9.955 474 HA PRO 66 HA PRO 66 -8.105 -8.007 7.748 475 HB2 PRO 66 1HB PRO 66 -8.550 -10.556 6.926 476 HB3 PRO 66 2HB PRO 66 -7.982 -9.282 5.840 477 HG2 PRO 66 1HG PRO 66 -6.420 -11.431 7.219 478 HG3 PRO 66 2HG PRO 66 -6.287 -10.847 5.550 479 HD2 PRO 66 1HD PRO 66 -4.577 -10.079 7.504 480 HD3 PRO 66 2HD PRO 66 -5.032 -9.012 6.160 481 H SER 67 H SER 67 -6.226 -9.589 9.965 482 HA SER 67 HA SER 67 -8.540 -10.806 11.320 483 HB2 SER 67 1HB SER 67 -5.587 -11.397 11.458 484 HB3 SER 67 2HB SER 67 -6.706 -11.963 12.699 485 HG SER 67 HG SER 67 -6.323 -13.471 10.953 486 H GLY 68 H GLY 68 -6.076 -8.384 11.531 487 HA2 GLY 68 1HA GLY 68 -6.886 -6.535 13.085 488 HA3 GLY 68 2HA GLY 68 -6.871 -7.795 14.310 489 H ALA 69 H ALA 69 -4.420 -8.984 13.065 490 HA ALA 69 HA ALA 69 -2.506 -7.733 14.694 491 HB1 ALA 69 1HB ALA 69 -1.001 -9.078 12.851 492 HB2 ALA 69 2HB ALA 69 -1.713 -9.788 14.300 493 HB3 ALA 69 3HB ALA 69 -2.549 -9.918 12.753 494 H SER 70 H SER 70 -0.315 -7.007 13.723 495 HA SER 70 HA SER 70 -0.737 -5.263 11.398 496 HB2 SER 70 1HB SER 70 0.424 -3.418 12.553 497 HB3 SER 70 2HB SER 70 -1.056 -3.876 13.395 498 HG SER 70 HG SER 70 1.518 -3.947 14.259 499 H THR 71 H THR 71 0.892 -5.287 9.979 500 HA THR 71 HA THR 71 3.232 -6.905 10.601 501 HB THR 71 HB THR 71 2.489 -5.634 7.961 502 HG1 THR 71 1HG THR 71 0.869 -7.078 8.467 503 HG21 THR 71 1HG2 THR 71 4.131 -6.940 6.979 504 HG22 THR 71 2HG2 THR 71 4.159 -8.091 8.316 505 HG23 THR 71 3HG2 THR 71 4.890 -6.498 8.508 506 H GLU 72 H GLU 72 5.160 -6.088 11.088 507 HA GLU 72 HA GLU 72 5.597 -3.342 11.460 508 HB2 GLU 72 1HB GLU 72 6.820 -5.344 12.516 509 HB3 GLU 72 2HB GLU 72 7.813 -5.339 11.066 510 HG2 GLU 72 1HG GLU 72 8.837 -3.364 11.600 511 HG3 GLU 72 2HG GLU 72 7.484 -2.802 12.580 512 H CYS 73 H CYS 73 6.160 -1.770 10.108 513 HA CYS 73 HA CYS 73 7.121 -2.521 7.428 514 HB2 CYS 73 1HB CYS 73 6.181 -0.371 6.658 515 HB3 CYS 73 2HB CYS 73 4.954 -1.412 7.370 516 HG CYS 73 HG CYS 73 4.077 0.336 9.020 517 H PHE 74 H PHE 74 8.981 -1.674 6.655 518 HA PHE 74 HA PHE 74 10.398 0.254 8.375 519 HB2 PHE 74 1HB PHE 74 11.554 -2.050 6.792 520 HB3 PHE 74 2HB PHE 74 12.511 -0.833 7.631 521 HD1 PHE 74 1HD PHE 74 10.091 -3.581 8.109 522 HD2 PHE 74 2HD PHE 74 12.921 -0.985 9.945 523 HE1 PHE 74 1HE PHE 74 9.987 -4.927 10.166 524 HE2 PHE 74 2HE PHE 74 12.822 -2.328 12.004 525 HZ PHE 74 HZ PHE 74 11.354 -4.302 12.116 526 H VAL 75 H VAL 75 10.223 2.146 7.336 527 HA VAL 75 HA VAL 75 10.214 2.333 4.466 528 HB VAL 75 HB VAL 75 10.393 4.549 6.512 529 HG11 VAL 75 1HG1 VAL 75 10.342 4.490 3.588 530 HG12 VAL 75 2HG1 VAL 75 9.136 5.559 4.307 531 HG13 VAL 75 3HG1 VAL 75 10.844 5.772 4.690 532 HG21 VAL 75 1HG2 VAL 75 7.997 3.328 5.147 533 HG22 VAL 75 2HG2 VAL 75 8.386 3.247 6.865 534 HG23 VAL 75 3HG2 VAL 75 7.964 4.793 6.128 535 H THR 76 H THR 76 11.834 2.944 3.129 536 HA THR 76 HA THR 76 14.415 3.684 4.332 537 HB THR 76 HB THR 76 14.080 1.747 2.033 538 HG1 THR 76 1HG THR 76 14.496 0.172 3.482 539 HG21 THR 76 1HG2 THR 76 16.621 2.271 3.532 540 HG22 THR 76 2HG2 THR 76 16.144 3.314 2.192 541 HG23 THR 76 3HG2 THR 76 16.396 1.590 1.922 542 H ASP 77 H ASP 77 14.765 5.708 3.686 543 HA ASP 77 HA ASP 77 13.746 6.707 1.182 544 HB2 ASP 77 1HB ASP 77 13.859 8.077 3.280 545 HB3 ASP 77 2HB ASP 77 15.614 8.077 3.126 546 H ASN 78 H ASN 78 14.735 6.386 -0.689 547 HA ASN 78 HA ASN 78 17.447 5.498 -0.854 548 HB2 ASN 78 1HB ASN 78 15.527 6.363 -3.028 549 HB3 ASN 78 2HB ASN 78 17.075 5.568 -3.301 550 HD21 ASN 78 1HD2 ASN 78 13.786 5.151 -2.708 551 HD22 ASN 78 2HD2 ASN 78 13.791 3.440 -2.467 552 H ALA 79 H ALA 79 16.150 8.500 -0.385 553 HA ALA 79 HA ALA 79 16.921 10.635 -0.567 554 HB1 ALA 79 1HB ALA 79 18.876 9.344 0.542 555 HB2 ALA 79 2HB ALA 79 19.681 9.571 -1.011 556 HB3 ALA 79 3HB ALA 79 19.157 10.972 -0.076 557 H ASP 80 H ASP 80 16.128 9.214 -3.009 558 HA ASP 80 HA ASP 80 17.616 10.857 -4.947 559 HB2 ASP 80 1HB ASP 80 18.118 8.384 -5.110 560 HB3 ASP 80 2HB ASP 80 16.433 8.148 -5.564 561 H GLY 81 H GLY 81 14.810 10.612 -3.397 562 HA2 GLY 81 1HA GLY 81 13.015 12.106 -4.011 563 HA3 GLY 81 2HA GLY 81 13.305 11.686 -5.693 564 H THR 82 H THR 82 13.507 8.965 -3.742 565 HA THR 82 HA THR 82 10.651 8.349 -3.976 566 HB THR 82 HB THR 82 11.169 6.100 -4.885 567 HG1 THR 82 1HG THR 82 13.580 6.573 -4.213 568 HG21 THR 82 1HG2 THR 82 11.497 8.631 -6.316 569 HG22 THR 82 2HG2 THR 82 10.514 7.222 -6.717 570 HG23 THR 82 3HG2 THR 82 12.226 7.252 -7.138 571 H TYR 83 H TYR 83 10.028 6.412 -2.746 572 HA TYR 83 HA TYR 83 11.842 5.930 -0.473 573 HB2 TYR 83 1HB TYR 83 8.824 6.136 -0.436 574 HB3 TYR 83 2HB TYR 83 9.822 5.691 0.943 575 HD1 TYR 83 1HD TYR 83 9.001 8.441 -1.389 576 HD2 TYR 83 2HD TYR 83 10.910 7.344 2.252 577 HE1 TYR 83 1HE TYR 83 9.240 10.819 -0.805 578 HE2 TYR 83 2HE TYR 83 11.154 9.719 2.846 579 HH TYR 83 HH TYR 83 9.479 12.146 1.446 580 H GLN 84 H GLN 84 11.685 3.855 0.543 581 HA GLN 84 HA GLN 84 10.350 1.775 -1.036 582 HB2 GLN 84 1HB GLN 84 12.782 1.995 -1.683 583 HB3 GLN 84 2HB GLN 84 13.187 1.500 -0.045 584 HG2 GLN 84 1HG GLN 84 13.304 -0.513 -1.073 585 HG3 GLN 84 2HG GLN 84 11.594 -0.518 -0.642 586 HE21 GLN 84 1HE2 GLN 84 10.515 -1.454 -2.220 587 HE22 GLN 84 2HE2 GLN 84 10.707 -1.142 -3.908 588 H VAL 85 H VAL 85 8.952 0.897 0.339 589 HA VAL 85 HA VAL 85 9.768 0.507 3.139 590 HB VAL 85 HB VAL 85 6.984 0.466 1.965 591 HG11 VAL 85 1HG1 VAL 85 6.539 0.798 4.547 592 HG12 VAL 85 2HG1 VAL 85 6.735 -0.810 3.846 593 HG13 VAL 85 3HG1 VAL 85 8.085 -0.040 4.681 594 HG21 VAL 85 1HG2 VAL 85 7.596 2.699 1.845 595 HG22 VAL 85 2HG2 VAL 85 6.837 2.597 3.434 596 HG23 VAL 85 3HG2 VAL 85 8.595 2.609 3.296 597 H GLU 86 H GLU 86 10.102 -1.482 3.894 598 HA GLU 86 HA GLU 86 9.201 -3.757 2.252 599 HB2 GLU 86 1HB GLU 86 11.634 -3.544 2.290 600 HB3 GLU 86 2HB GLU 86 11.624 -3.546 4.048 601 HG2 GLU 86 1HG GLU 86 10.454 -5.849 3.774 602 HG3 GLU 86 2HG GLU 86 11.141 -5.796 2.151 603 H TYR 87 H TYR 87 8.075 -5.377 3.196 604 HA TYR 87 HA TYR 87 7.914 -5.568 6.090 605 HB2 TYR 87 1HB TYR 87 5.523 -5.331 6.217 606 HB3 TYR 87 2HB TYR 87 6.172 -3.900 5.422 607 HD1 TYR 87 2HD TYR 87 4.224 -6.975 4.960 608 HD2 TYR 87 1HD TYR 87 5.703 -3.448 3.094 609 HE1 TYR 87 2HE TYR 87 2.697 -7.343 3.067 610 HE2 TYR 87 1HE TYR 87 4.180 -3.806 1.197 611 HH TYR 87 HH TYR 87 2.875 -5.422 0.162 612 H THR 88 H THR 88 7.191 -7.568 6.825 613 HA THR 88 HA THR 88 6.826 -9.611 4.730 614 HB THR 88 HB THR 88 8.002 -10.162 7.451 615 HG1 THR 88 1HG THR 88 9.623 -9.982 5.165 616 HG21 THR 88 1HG2 THR 88 8.515 -11.708 4.941 617 HG22 THR 88 2HG2 THR 88 7.015 -11.958 5.835 618 HG23 THR 88 3HG2 THR 88 8.568 -12.247 6.619 619 HA PRO 89 HA PRO 89 2.897 -9.785 7.000 620 HB2 PRO 89 1HB PRO 89 1.545 -10.987 4.976 621 HB3 PRO 89 2HB PRO 89 1.829 -9.244 5.039 622 HG2 PRO 89 1HG PRO 89 3.302 -11.349 3.503 623 HG3 PRO 89 2HG PRO 89 2.785 -9.736 2.977 624 HD2 PRO 89 1HD PRO 89 5.328 -10.275 3.737 625 HD3 PRO 89 2HD PRO 89 4.567 -8.693 4.002 626 H PHE 90 H PHE 90 2.368 -11.370 8.363 627 HA PHE 90 HA PHE 90 3.282 -14.097 7.759 628 HB2 PHE 90 1HB PHE 90 2.796 -14.371 10.305 629 HB3 PHE 90 2HB PHE 90 4.249 -13.518 9.793 630 HD1 PHE 90 1HD PHE 90 0.793 -13.045 11.017 631 HD2 PHE 90 2HD PHE 90 4.613 -11.277 10.388 632 HE1 PHE 90 1HE PHE 90 0.100 -11.087 12.337 633 HE2 PHE 90 2HE PHE 90 3.927 -9.317 11.708 634 HZ PHE 90 HZ PHE 90 1.669 -9.221 12.685 635 H GLU 91 H GLU 91 0.799 -12.833 6.762 636 HA GLU 91 HA GLU 91 -1.007 -14.971 7.536 637 HB2 GLU 91 1HB GLU 91 -1.444 -12.106 8.205 638 HB3 GLU 91 2HB GLU 91 -2.832 -13.021 7.636 639 HG2 GLU 91 1HG GLU 91 -1.166 -14.204 9.787 640 HG3 GLU 91 2HG GLU 91 -2.224 -12.854 10.194 641 H LYS 92 H LYS 92 -2.187 -15.671 5.856 642 HA LYS 92 HA LYS 92 -1.809 -14.380 3.291 643 HB2 LYS 92 1HB LYS 92 -3.428 -16.859 3.873 644 HB3 LYS 92 2HB LYS 92 -2.746 -16.360 2.331 645 HG2 LYS 92 1HG LYS 92 -0.659 -17.090 2.856 646 HG3 LYS 92 2HG LYS 92 -0.868 -16.795 4.583 647 HD2 LYS 92 1HD LYS 92 -2.486 -18.925 3.256 648 HD3 LYS 92 2HD LYS 92 -0.794 -19.243 3.647 649 HE2 LYS 92 1HE LYS 92 -2.097 -20.005 5.485 650 HE3 LYS 92 2HE LYS 92 -1.300 -18.517 5.993 651 HZ1 LYS 92 1HZ LYS 92 -4.021 -18.419 4.874 652 HZ2 LYS 92 2HZ LYS 92 -3.264 -17.342 5.937 653 HZ3 LYS 92 3HZ LYS 92 -3.793 -18.849 6.494 654 H GLY 93 H GLY 93 -3.049 -12.584 3.087 655 HA2 GLY 93 1HA GLY 93 -5.768 -12.818 2.468 656 HA3 GLY 93 2HA GLY 93 -5.648 -12.268 4.132 657 H LEU 94 H LEU 94 -6.856 -10.435 3.046 658 HA LEU 94 HA LEU 94 -5.089 -8.596 1.616 659 HB2 LEU 94 1HB LEU 94 -7.137 -8.723 0.530 660 HB3 LEU 94 2HB LEU 94 -8.045 -8.763 2.040 661 HG LEU 94 HG LEU 94 -7.368 -6.345 2.360 662 HD11 LEU 94 1HD1 LEU 94 -5.520 -6.571 0.599 663 HD12 LEU 94 2HD1 LEU 94 -6.493 -5.101 0.593 664 HD13 LEU 94 3HD1 LEU 94 -6.811 -6.373 -0.586 665 HD21 LEU 94 1HD2 LEU 94 -8.916 -6.013 0.014 666 HD22 LEU 94 2HD2 LEU 94 -9.458 -6.028 1.692 667 HD23 LEU 94 3HD2 LEU 94 -9.408 -7.530 0.768 668 H HIS 95 H HIS 95 -3.978 -7.147 2.731 669 HA HIS 95 HA HIS 95 -4.953 -6.329 5.377 670 HB2 HIS 95 1HB HIS 95 -2.231 -5.576 4.439 671 HB3 HIS 95 2HB HIS 95 -2.776 -6.049 6.046 672 HD2 HIS 95 2HD HIS 95 -0.322 -7.428 3.900 673 HE1 HIS 95 1HE HIS 95 -2.571 -10.880 4.911 674 HE2 HIS 95 2HE HIS 95 -0.374 -10.010 4.041 675 H VAL 96 H VAL 96 -4.704 -4.073 6.005 676 HA VAL 96 HA VAL 96 -5.227 -2.282 3.733 677 HB VAL 96 HB VAL 96 -6.000 -2.062 6.641 678 HG11 VAL 96 1HG1 VAL 96 -6.554 -0.061 4.456 679 HG12 VAL 96 2HG1 VAL 96 -7.002 0.063 6.159 680 HG13 VAL 96 3HG1 VAL 96 -5.304 0.128 5.685 681 HG21 VAL 96 1HG2 VAL 96 -7.568 -2.412 4.093 682 HG22 VAL 96 2HG2 VAL 96 -7.449 -3.535 5.448 683 HG23 VAL 96 3HG2 VAL 96 -8.301 -2.003 5.644 684 H VAL 97 H VAL 97 -3.347 -1.382 3.120 685 HA VAL 97 HA VAL 97 -1.431 -0.495 5.137 686 HB VAL 97 HB VAL 97 -1.221 -0.528 2.123 687 HG11 VAL 97 1HG1 VAL 97 1.017 0.162 2.324 688 HG12 VAL 97 2HG1 VAL 97 0.107 1.245 3.379 689 HG13 VAL 97 3HG1 VAL 97 1.026 -0.093 4.069 690 HG21 VAL 97 1HG2 VAL 97 -1.011 -2.612 3.985 691 HG22 VAL 97 2HG2 VAL 97 -0.539 -2.639 2.286 692 HG23 VAL 97 3HG2 VAL 97 0.643 -2.209 3.522 693 H GLU 98 H GLU 98 -1.347 1.536 5.822 694 HA GLU 98 HA GLU 98 -2.844 3.581 4.354 695 HB2 GLU 98 1HB GLU 98 -2.080 3.175 7.192 696 HB3 GLU 98 2HB GLU 98 -2.154 4.838 6.625 697 HG2 GLU 98 1HG GLU 98 -4.394 2.842 6.399 698 HG3 GLU 98 2HG GLU 98 -4.250 4.066 7.659 699 H VAL 99 H VAL 99 -1.939 5.582 3.818 700 HA VAL 99 HA VAL 99 0.956 5.884 4.135 701 HB VAL 99 HB VAL 99 -0.443 6.137 1.469 702 HG11 VAL 99 1HG1 VAL 99 2.406 6.617 2.316 703 HG12 VAL 99 2HG1 VAL 99 1.911 6.421 0.633 704 HG13 VAL 99 3HG1 VAL 99 1.284 7.766 1.587 705 HG21 VAL 99 1HG2 VAL 99 1.488 4.074 2.519 706 HG22 VAL 99 2HG2 VAL 99 -0.182 3.816 2.012 707 HG23 VAL 99 3HG2 VAL 99 1.045 4.244 0.820 708 H THR 100 H THR 100 1.393 7.848 4.867 709 HA THR 100 HA THR 100 -0.329 10.089 4.051 710 HB THR 100 HB THR 100 0.005 11.042 6.372 711 HG1 THR 100 1HG THR 100 1.615 9.766 7.205 712 HG21 THR 100 1HG2 THR 100 -2.012 10.223 6.994 713 HG22 THR 100 2HG2 THR 100 -1.509 8.544 6.792 714 HG23 THR 100 3HG2 THR 100 -1.981 9.499 5.387 715 H TYR 101 H TYR 101 0.687 12.046 3.745 716 HA TYR 101 HA TYR 101 3.618 12.054 4.052 717 HB2 TYR 101 1HB TYR 101 2.844 11.814 1.675 718 HB3 TYR 101 2HB TYR 101 2.081 13.394 1.820 719 HD1 TYR 101 1HD TYR 101 3.716 15.303 2.698 720 HD2 TYR 101 2HD TYR 101 4.965 11.720 0.773 721 HE1 TYR 101 1HE TYR 101 5.831 16.388 2.065 722 HE2 TYR 101 2HE TYR 101 7.084 12.794 0.136 723 HH TYR 101 HH TYR 101 8.159 15.679 1.477 724 H ASP 102 H ASP 102 4.065 13.409 5.661 725 HA ASP 102 HA ASP 102 4.159 15.287 6.941 726 HB2 ASP 102 1HB ASP 102 4.663 16.316 4.713 727 HB3 ASP 102 2HB ASP 102 2.949 16.687 4.549 728 H ASP 103 H ASP 103 1.933 13.644 7.297 729 HA ASP 103 HA ASP 103 -0.002 13.650 8.507 730 HB2 ASP 103 1HB ASP 103 1.091 15.738 9.545 731 HB3 ASP 103 2HB ASP 103 0.019 16.661 8.495 732 H VAL 104 H VAL 104 0.039 13.656 5.640 733 HA VAL 104 HA VAL 104 -2.712 14.527 5.174 734 HB VAL 104 HB VAL 104 -0.428 15.246 3.331 735 HG11 VAL 104 1HG1 VAL 104 -1.985 16.070 1.792 736 HG12 VAL 104 2HG1 VAL 104 -2.655 14.515 2.293 737 HG13 VAL 104 3HG1 VAL 104 -3.305 16.013 2.960 738 HG21 VAL 104 1HG2 VAL 104 -1.058 17.558 3.807 739 HG22 VAL 104 2HG2 VAL 104 -2.298 16.996 4.928 740 HG23 VAL 104 3HG2 VAL 104 -0.594 16.709 5.282 741 HA PRO 105 HA PRO 105 -2.518 10.346 3.562 742 HB2 PRO 105 1HB PRO 105 -5.201 10.098 3.225 743 HB3 PRO 105 2HB PRO 105 -4.410 9.927 4.797 744 HG2 PRO 105 1HG PRO 105 -5.844 12.289 3.645 745 HG3 PRO 105 2HG PRO 105 -5.923 11.624 5.287 746 HD2 PRO 105 1HD PRO 105 -4.433 13.797 4.666 747 HD3 PRO 105 2HD PRO 105 -3.959 12.645 5.930 748 H ILE 106 H ILE 106 -2.456 9.552 1.520 749 HA ILE 106 HA ILE 106 -2.916 11.405 -0.655 750 HB ILE 106 HB ILE 106 -2.059 9.454 -2.058 751 HG12 ILE 106 1HG1 ILE 106 -1.184 8.368 0.618 752 HG13 ILE 106 2HG1 ILE 106 -2.615 7.776 -0.217 753 HG21 ILE 106 1HG2 ILE 106 0.171 9.891 -0.296 754 HG22 ILE 106 2HG2 ILE 106 -0.117 10.523 -1.917 755 HG23 ILE 106 3HG2 ILE 106 -0.750 11.380 -0.511 756 HD11 ILE 106 1HD1 ILE 106 0.194 7.212 -0.692 757 HD12 ILE 106 2HD1 ILE 106 -1.244 6.302 -1.156 758 HD13 ILE 106 3HD1 ILE 106 -0.686 7.642 -2.158 759 HA PRO 107 HA PRO 107 -6.813 9.910 -2.017 760 HB2 PRO 107 1HB PRO 107 -6.572 10.172 -4.708 761 HB3 PRO 107 2HB PRO 107 -6.750 11.554 -3.621 762 HG2 PRO 107 1HG PRO 107 -4.270 10.430 -4.863 763 HG3 PRO 107 2HG PRO 107 -4.759 12.125 -4.677 764 HD2 PRO 107 1HD PRO 107 -2.974 10.934 -3.025 765 HD3 PRO 107 2HD PRO 107 -4.079 12.210 -2.476 766 H ASN 108 H ASN 108 -4.061 8.151 -2.360 767 HA ASN 108 HA ASN 108 -5.303 6.045 -3.982 768 HB2 ASN 108 1HB ASN 108 -2.448 6.171 -2.995 769 HB3 ASN 108 2HB ASN 108 -3.104 5.102 -4.231 770 HD21 ASN 108 1HD2 ASN 108 -4.438 6.596 -5.906 771 HD22 ASN 108 2HD2 ASN 108 -3.463 7.845 -6.593 772 H SER 109 H SER 109 -4.689 6.917 -0.771 773 HA SER 109 HA SER 109 -4.806 4.137 0.163 774 HB2 SER 109 1HB SER 109 -3.795 6.684 1.326 775 HB3 SER 109 2HB SER 109 -4.461 5.494 2.444 776 HG SER 109 HG SER 109 -2.440 4.963 0.522 777 HA PRO 110 HA PRO 110 -5.075 3.537 2.528 778 HB2 PRO 110 1HB PRO 110 -6.691 1.446 3.149 779 HB3 PRO 110 2HB PRO 110 -6.533 2.876 4.176 780 HG2 PRO 110 1HG PRO 110 -8.670 2.194 2.194 781 HG3 PRO 110 2HG PRO 110 -8.831 2.885 3.819 782 HD2 PRO 110 1HD PRO 110 -8.968 4.393 1.575 783 HD3 PRO 110 2HD PRO 110 -8.310 5.013 3.103 784 H PHE 111 H PHE 111 -4.140 1.521 1.888 785 HA PHE 111 HA PHE 111 -4.807 0.806 -0.873 786 HB2 PHE 111 1HB PHE 111 -2.331 0.485 0.806 787 HB3 PHE 111 2HB PHE 111 -2.542 -0.420 -0.689 788 HD1 PHE 111 1HD PHE 111 -3.081 0.966 -2.804 789 HD2 PHE 111 2HD PHE 111 -1.411 2.602 0.753 790 HE1 PHE 111 1HE PHE 111 -2.241 2.890 -4.087 791 HE2 PHE 111 2HE PHE 111 -0.569 4.529 -0.524 792 HZ PHE 111 HZ PHE 111 -0.984 4.675 -2.947 793 H LYS 112 H LYS 112 -4.687 -1.473 -1.506 794 HA LYS 112 HA LYS 112 -5.433 -3.309 0.671 795 HB2 LYS 112 1HB LYS 112 -6.857 -2.722 -1.888 796 HB3 LYS 112 2HB LYS 112 -6.903 -4.364 -1.260 797 HG2 LYS 112 1HG LYS 112 -8.163 -3.785 0.557 798 HG3 LYS 112 2HG LYS 112 -7.570 -2.122 0.576 799 HD2 LYS 112 1HD LYS 112 -9.730 -1.841 -0.187 800 HD3 LYS 112 2HD LYS 112 -8.828 -1.942 -1.701 801 HE2 LYS 112 1HE LYS 112 -9.400 -4.315 -1.879 802 HE3 LYS 112 2HE LYS 112 -10.294 -4.215 -0.363 803 HZ1 LYS 112 1HZ LYS 112 -12.052 -3.698 -1.590 804 HZ2 LYS 112 2HZ LYS 112 -11.126 -3.509 -2.992 805 HZ3 LYS 112 3HZ LYS 112 -11.320 -2.210 -1.925 806 H VAL 113 H VAL 113 -3.798 -4.706 0.803 807 HA VAL 113 HA VAL 113 -2.537 -5.662 -1.673 808 HB VAL 113 HB VAL 113 -1.568 -5.827 1.183 809 HG11 VAL 113 1HG1 VAL 113 -0.718 -7.185 -1.273 810 HG12 VAL 113 2HG1 VAL 113 0.583 -6.397 -0.379 811 HG13 VAL 113 3HG1 VAL 113 -0.429 -7.604 0.415 812 HG21 VAL 113 1HG2 VAL 113 -1.466 -3.575 0.235 813 HG22 VAL 113 2HG2 VAL 113 0.149 -4.248 0.460 814 HG23 VAL 113 3HG2 VAL 113 -0.568 -4.196 -1.150 815 H ALA 114 H ALA 114 -3.630 -7.390 -2.403 816 HA ALA 114 HA ALA 114 -4.791 -9.327 -0.606 817 HB1 ALA 114 1HB ALA 114 -4.658 -9.104 -3.600 818 HB2 ALA 114 2HB ALA 114 -5.349 -10.508 -2.784 819 HB3 ALA 114 3HB ALA 114 -6.059 -8.911 -2.544 820 H VAL 115 H VAL 115 -3.098 -10.292 0.495 821 HA VAL 115 HA VAL 115 -0.839 -11.410 -0.886 822 HB VAL 115 HB VAL 115 -1.768 -11.745 1.969 823 HG11 VAL 115 1HG1 VAL 115 -0.459 -13.655 1.452 824 HG12 VAL 115 2HG1 VAL 115 0.729 -12.687 0.577 825 HG13 VAL 115 3HG1 VAL 115 0.593 -12.544 2.330 826 HG21 VAL 115 1HG2 VAL 115 0.506 -10.344 2.136 827 HG22 VAL 115 2HG2 VAL 115 -0.054 -9.790 0.557 828 HG23 VAL 115 3HG2 VAL 115 -1.079 -9.585 1.978 829 H THR 116 H THR 116 -0.308 -13.632 -1.037 830 HA THR 116 HA THR 116 -2.448 -15.565 -0.573 831 HB THR 116 HB THR 116 -2.813 -14.822 -2.881 832 HG1 THR 116 1HG THR 116 -1.803 -17.433 -2.439 833 HG21 THR 116 1HG2 THR 116 0.052 -15.681 -3.280 834 HG22 THR 116 2HG2 THR 116 -0.621 -14.066 -3.503 835 HG23 THR 116 3HG2 THR 116 -1.079 -15.372 -4.596 836 H GLU 117 H GLU 117 -1.736 -17.760 -0.566 837 HA GLU 117 HA GLU 117 1.017 -18.023 0.294 838 HB2 GLU 117 1HB GLU 117 0.227 -20.475 0.625 839 HB3 GLU 117 2HB GLU 117 -0.395 -19.223 1.691 840 HG2 GLU 117 1HG GLU 117 -2.479 -19.185 0.609 841 HG3 GLU 117 2HG GLU 117 -1.867 -20.094 -0.772 842 H GLY 118 H GLY 118 2.455 -18.082 -1.336 843 HA2 GLY 118 1HA GLY 118 1.855 -19.755 -3.680 844 HA3 GLY 118 2HA GLY 118 3.081 -18.497 -3.608 845 H CYS 119 H CYS 119 4.947 -18.922 -2.155 846 HA CYS 119 HA CYS 119 5.528 -21.529 -1.234 847 HB2 CYS 119 1HB CYS 119 5.620 -21.673 -3.844 848 HB3 CYS 119 2HB CYS 119 7.166 -20.855 -3.654 849 HG CYS 119 HG CYS 119 8.497 -22.844 -2.491 850 H GLN 120 H GLN 120 7.023 -21.318 0.299 851 HA GLN 120 HA GLN 120 9.120 -19.301 0.008 852 HB2 GLN 120 1HB GLN 120 7.096 -19.436 2.222 853 HB3 GLN 120 2HB GLN 120 8.697 -18.770 2.514 854 HG2 GLN 120 1HG GLN 120 6.621 -17.767 0.587 855 HG3 GLN 120 2HG GLN 120 7.220 -16.969 2.040 856 HE21 GLN 120 1HE2 GLN 120 9.589 -16.503 2.038 857 HE22 GLN 120 2HE2 GLN 120 10.289 -15.957 0.556 858 HA PRO 121 HA PRO 121 11.711 -22.442 1.653 859 HB2 PRO 121 1HB PRO 121 13.670 -20.927 2.764 860 HB3 PRO 121 2HB PRO 121 13.484 -21.126 1.018 861 HG2 PRO 121 1HG PRO 121 12.602 -18.865 2.771 862 HG3 PRO 121 2HG PRO 121 13.374 -18.808 1.176 863 HD2 PRO 121 1HD PRO 121 10.709 -18.470 1.519 864 HD3 PRO 121 2HD PRO 121 11.397 -19.224 0.066 865 H SER 122 H SER 122 12.781 -23.158 3.696 866 HA SER 122 HA SER 122 11.382 -22.155 6.084 867 HB2 SER 122 1HB SER 122 10.391 -24.301 5.265 868 HB3 SER 122 2HB SER 122 11.960 -25.070 5.505 869 HG SER 122 HG SER 122 11.792 -24.489 7.727 870 H SER 123 H SER 123 13.919 -21.317 5.319 871 HA SER 123 HA SER 123 16.087 -22.742 6.293 872 HB2 SER 123 1HB SER 123 15.594 -19.762 6.176 873 HB3 SER 123 2HB SER 123 17.147 -20.464 6.629 874 HG SER 123 HG SER 123 15.773 -20.789 4.167 875 H GLY 124 H GLY 124 14.196 -20.254 8.021 876 HA2 GLY 124 1HA GLY 124 13.464 -20.747 10.302 877 HA3 GLY 124 2HA GLY 124 14.999 -21.570 10.541 878 HA PRO 125 HA PRO 125 15.194 -17.136 12.096 879 HB2 PRO 125 1HB PRO 125 15.726 -17.750 14.686 880 HB3 PRO 125 2HB PRO 125 14.083 -17.572 14.059 881 HG2 PRO 125 1HG PRO 125 15.662 -20.067 14.552 882 HG3 PRO 125 2HG PRO 125 13.959 -19.732 14.913 883 HD2 PRO 125 1HD PRO 125 14.735 -21.157 12.745 884 HD3 PRO 125 2HD PRO 125 13.291 -20.124 12.742 885 H SER 126 H SER 126 17.123 -16.878 10.950 886 HA SER 126 HA SER 126 19.502 -16.932 12.488 887 HB2 SER 126 1HB SER 126 19.301 -19.362 11.839 888 HB3 SER 126 2HB SER 126 19.485 -18.861 10.159 889 HG SER 126 HG SER 126 21.391 -17.865 11.885 890 H SER 127 H SER 127 21.177 -15.762 11.531 891 HA SER 127 HA SER 127 20.362 -13.898 9.538 892 HB2 SER 127 1HB SER 127 21.999 -13.497 11.467 893 HB3 SER 127 2HB SER 127 23.200 -14.318 10.471 894 HG SER 127 HG SER 127 23.245 -12.053 10.168 895 H GLY 128 H GLY 128 21.131 -13.616 7.437 896 HA2 GLY 128 1HA GLY 128 22.628 -15.892 6.304 897 HA3 GLY 128 2HA GLY 128 21.165 -15.302 5.530 Start of MODEL 18 1 H1 GLY 1 H GLY 1 24.923 14.107 14.615 2 HA2 GLY 1 1HA GLY 1 27.706 13.571 15.324 3 HA3 GLY 1 2HA GLY 1 27.395 14.109 13.680 4 H SER 2 H SER 2 26.598 15.017 17.033 5 HA SER 2 HA SER 2 26.367 17.051 18.035 6 HB2 SER 2 1HB SER 2 28.848 16.970 17.440 7 HB3 SER 2 2HB SER 2 28.454 18.023 16.081 8 HG SER 2 HG SER 2 28.488 18.566 18.811 9 H SER 3 H SER 3 24.474 16.584 16.061 10 HA SER 3 HA SER 3 23.663 19.273 15.464 11 HB2 SER 3 1HB SER 3 25.090 18.933 13.536 12 HB3 SER 3 2HB SER 3 24.324 17.381 13.195 13 HG SER 3 HG SER 3 22.621 18.378 12.384 14 H GLY 4 H GLY 4 21.556 19.336 15.856 15 HA2 GLY 4 1HA GLY 4 19.358 18.479 15.037 16 HA3 GLY 4 2HA GLY 4 19.984 16.876 15.394 17 H SER 5 H SER 5 19.038 19.952 16.849 18 HA SER 5 HA SER 5 18.246 18.472 19.258 19 HB2 SER 5 1HB SER 5 19.941 20.960 19.128 20 HB3 SER 5 2HB SER 5 18.999 20.562 20.565 21 HG SER 5 HG SER 5 20.129 18.419 20.334 22 H SER 6 H SER 6 16.390 19.181 20.250 23 HA SER 6 HA SER 6 15.079 21.576 19.190 24 HB2 SER 6 1HB SER 6 13.964 18.777 19.142 25 HB3 SER 6 2HB SER 6 12.906 20.188 19.149 26 HG SER 6 HG SER 6 13.275 19.674 17.031 27 H GLY 7 H GLY 7 12.905 21.880 20.470 28 HA2 GLY 7 1HA GLY 7 12.714 20.858 23.101 29 HA3 GLY 7 2HA GLY 7 13.556 22.400 23.130 30 H HIS 8 H HIS 8 10.770 21.172 21.277 31 HA HIS 8 HA HIS 8 8.984 23.006 22.615 32 HB2 HIS 8 1HB HIS 8 10.246 24.217 20.662 33 HB3 HIS 8 2HB HIS 8 9.130 23.318 19.638 34 HD1 HIS 8 1HD HIS 8 6.825 24.258 19.374 35 HD2 HIS 8 2HD HIS 8 8.912 26.025 22.502 36 HE1 HIS 8 1HE HIS 8 5.389 26.174 20.143 37 H PHE 9 H PHE 9 6.731 22.772 21.829 38 HA PHE 9 HA PHE 9 5.977 20.690 20.076 39 HB2 PHE 9 1HB PHE 9 6.289 20.015 22.962 40 HB3 PHE 9 2HB PHE 9 4.895 19.357 22.112 41 HD1 PHE 9 1HD PHE 9 5.803 18.634 19.530 42 HD2 PHE 9 2HD PHE 9 7.898 18.409 23.228 43 HE1 PHE 9 1HE PHE 9 7.209 16.832 18.619 44 HE2 PHE 9 2HE PHE 9 9.308 16.607 22.323 45 HZ PHE 9 HZ PHE 9 8.965 15.817 20.016 46 HA PRO 10 HA PRO 10 2.495 23.449 20.554 47 HB2 PRO 10 1HB PRO 10 1.092 22.456 18.453 48 HB3 PRO 10 2HB PRO 10 2.458 23.561 18.259 49 HG2 PRO 10 1HG PRO 10 2.378 20.581 17.985 50 HG3 PRO 10 2HG PRO 10 3.191 21.777 16.959 51 HD2 PRO 10 1HD PRO 10 4.508 20.324 18.827 52 HD3 PRO 10 2HD PRO 10 4.980 21.981 18.399 53 H ALA 11 H ALA 11 0.125 23.173 20.783 54 HA ALA 11 HA ALA 11 -0.761 20.491 21.514 55 HB1 ALA 11 1HB ALA 11 -1.737 22.124 23.578 56 HB2 ALA 11 2HB ALA 11 -0.560 20.815 23.700 57 HB3 ALA 11 3HB ALA 11 -0.013 22.472 23.446 58 H ARG 12 H ARG 12 -2.773 20.139 20.829 59 HA ARG 12 HA ARG 12 -4.733 20.534 19.713 60 HB2 ARG 12 1HB ARG 12 -4.934 22.593 21.918 61 HB3 ARG 12 2HB ARG 12 -6.283 22.018 20.948 62 HG2 ARG 12 1HG ARG 12 -4.615 20.076 22.485 63 HG3 ARG 12 2HG ARG 12 -5.867 21.017 23.299 64 HD2 ARG 12 1HD ARG 12 -6.372 19.374 20.828 65 HD3 ARG 12 2HD ARG 12 -6.573 18.747 22.463 66 HE ARG 12 HE ARG 12 -8.438 20.126 22.745 67 HH11 ARG 12 1HH1 ARG 12 -6.952 20.581 19.630 68 HH12 ARG 12 2HH1 ARG 12 -8.311 21.419 18.959 69 HH21 ARG 12 1HH2 ARG 12 -10.234 21.228 21.873 70 HH22 ARG 12 2HH2 ARG 12 -10.177 21.788 20.236 71 H VAL 13 H VAL 13 -2.876 21.615 18.195 72 HA VAL 13 HA VAL 13 -3.661 24.388 17.637 73 HB VAL 13 HB VAL 13 -1.668 24.288 16.038 74 HG11 VAL 13 1HG1 VAL 13 -0.035 24.556 17.937 75 HG12 VAL 13 2HG1 VAL 13 -1.491 25.548 18.042 76 HG13 VAL 13 3HG1 VAL 13 -1.343 24.090 19.024 77 HG21 VAL 13 1HG2 VAL 13 -0.946 21.888 17.711 78 HG22 VAL 13 2HG2 VAL 13 -1.551 21.790 16.058 79 HG23 VAL 13 3HG2 VAL 13 -0.017 22.594 16.389 80 H LYS 14 H LYS 14 -4.652 24.970 15.780 81 HA LYS 14 HA LYS 14 -5.413 22.801 13.948 82 HB2 LYS 14 1HB LYS 14 -6.707 25.495 14.406 83 HB3 LYS 14 2HB LYS 14 -7.279 24.272 13.278 84 HG2 LYS 14 1HG LYS 14 -7.797 22.772 15.069 85 HG3 LYS 14 2HG LYS 14 -7.046 23.848 16.249 86 HD2 LYS 14 1HD LYS 14 -8.732 25.565 15.720 87 HD3 LYS 14 2HD LYS 14 -9.499 24.443 14.593 88 HE2 LYS 14 1HE LYS 14 -10.772 24.176 16.508 89 HE3 LYS 14 2HE LYS 14 -9.610 22.857 16.639 90 HZ1 LYS 14 1HZ LYS 14 -9.917 24.108 18.724 91 HZ2 LYS 14 2HZ LYS 14 -9.304 25.492 17.970 92 HZ3 LYS 14 3HZ LYS 14 -8.317 24.134 18.175 93 H VAL 15 H VAL 15 -4.225 22.709 12.165 94 HA VAL 15 HA VAL 15 -3.595 25.218 10.769 95 HB VAL 15 HB VAL 15 -1.666 22.930 11.188 96 HG11 VAL 15 1HG1 VAL 15 -0.716 23.566 9.282 97 HG12 VAL 15 2HG1 VAL 15 -1.833 24.921 9.115 98 HG13 VAL 15 3HG1 VAL 15 -0.347 25.112 10.046 99 HG21 VAL 15 1HG2 VAL 15 -2.181 24.881 12.950 100 HG22 VAL 15 2HG2 VAL 15 -0.575 24.186 12.728 101 HG23 VAL 15 3HG2 VAL 15 -0.993 25.709 11.943 102 H GLU 16 H GLU 16 -3.689 25.136 8.554 103 HA GLU 16 HA GLU 16 -5.028 22.810 7.438 104 HB2 GLU 16 1HB GLU 16 -5.611 24.178 5.605 105 HB3 GLU 16 2HB GLU 16 -5.749 25.213 7.020 106 HG2 GLU 16 1HG GLU 16 -3.256 25.808 6.385 107 HG3 GLU 16 2HG GLU 16 -3.799 25.295 4.788 108 HA PRO 17 HA PRO 17 -1.528 21.074 5.433 109 HB2 PRO 17 1HB PRO 17 -2.699 19.985 3.239 110 HB3 PRO 17 2HB PRO 17 -2.891 19.314 4.863 111 HG2 PRO 17 1HG PRO 17 -4.745 21.081 3.313 112 HG3 PRO 17 2HG PRO 17 -5.121 19.657 4.301 113 HD2 PRO 17 1HD PRO 17 -5.466 22.188 5.201 114 HD3 PRO 17 2HD PRO 17 -5.023 20.845 6.274 115 H ALA 18 H ALA 18 0.029 21.706 4.040 116 HA ALA 18 HA ALA 18 -0.689 23.749 2.042 117 HB1 ALA 18 1HB ALA 18 0.778 24.499 3.911 118 HB2 ALA 18 2HB ALA 18 2.002 23.364 3.341 119 HB3 ALA 18 3HB ALA 18 1.490 24.700 2.310 120 H VAL 19 H VAL 19 -0.510 20.701 1.897 121 HA VAL 19 HA VAL 19 1.153 20.635 -0.526 122 HB VAL 19 HB VAL 19 2.295 19.531 1.455 123 HG11 VAL 19 1HG1 VAL 19 -0.009 17.631 1.082 124 HG12 VAL 19 2HG1 VAL 19 1.492 17.178 1.892 125 HG13 VAL 19 3HG1 VAL 19 0.486 18.467 2.554 126 HG21 VAL 19 1HG2 VAL 19 1.685 17.923 -1.021 127 HG22 VAL 19 2HG2 VAL 19 3.011 19.063 -0.792 128 HG23 VAL 19 3HG2 VAL 19 2.982 17.550 0.115 129 H ASP 20 H ASP 20 0.538 19.013 -2.073 130 HA ASP 20 HA ASP 20 -2.334 18.474 -1.989 131 HB2 ASP 20 1HB ASP 20 -0.403 18.166 -4.297 132 HB3 ASP 20 2HB ASP 20 -2.160 18.082 -4.382 133 H THR 21 H THR 21 0.760 16.817 -2.311 134 HA THR 21 HA THR 21 1.291 14.584 -2.422 135 HB THR 21 HB THR 21 0.621 13.337 -0.498 136 HG1 THR 21 1HG THR 21 -1.613 15.064 -0.546 137 HG21 THR 21 1HG2 THR 21 0.418 15.674 1.073 138 HG22 THR 21 2HG2 THR 21 1.436 16.074 -0.310 139 HG23 THR 21 3HG2 THR 21 1.860 14.717 0.734 140 H SER 22 H SER 22 -0.804 15.353 -4.270 141 HA SER 22 HA SER 22 -2.472 12.932 -4.317 142 HB2 SER 22 1HB SER 22 -3.784 14.958 -4.404 143 HB3 SER 22 2HB SER 22 -2.798 15.593 -5.721 144 HG SER 22 HG SER 22 -4.744 14.695 -6.496 145 H ARG 23 H ARG 23 0.331 14.149 -5.595 146 HA ARG 23 HA ARG 23 0.002 12.823 -8.188 147 HB2 ARG 23 1HB ARG 23 2.423 14.384 -7.323 148 HB3 ARG 23 2HB ARG 23 1.863 14.044 -8.955 149 HG2 ARG 23 1HG ARG 23 0.071 15.628 -7.210 150 HG3 ARG 23 2HG ARG 23 1.542 16.408 -7.794 151 HD2 ARG 23 1HD ARG 23 -0.142 16.898 -9.380 152 HD3 ARG 23 2HD ARG 23 0.876 15.656 -10.108 153 HE ARG 23 HE ARG 23 -1.085 14.210 -8.963 154 HH11 ARG 23 1HH1 ARG 23 -1.123 16.979 -11.071 155 HH12 ARG 23 2HH1 ARG 23 -2.629 16.556 -11.816 156 HH21 ARG 23 1HH2 ARG 23 -3.068 13.641 -9.935 157 HH22 ARG 23 2HH2 ARG 23 -3.735 14.657 -11.168 158 H ILE 24 H ILE 24 0.940 12.029 -5.151 159 HA ILE 24 HA ILE 24 3.354 10.612 -5.583 160 HB ILE 24 HB ILE 24 1.235 10.285 -3.459 161 HG12 ILE 24 1HG1 ILE 24 3.957 11.608 -3.422 162 HG13 ILE 24 2HG1 ILE 24 2.407 12.442 -3.439 163 HG21 ILE 24 1HG2 ILE 24 2.269 8.480 -2.680 164 HG22 ILE 24 2HG2 ILE 24 3.241 8.464 -4.151 165 HG23 ILE 24 3HG2 ILE 24 3.830 9.299 -2.714 166 HD11 ILE 24 1HD1 ILE 24 2.170 12.240 -1.240 167 HD12 ILE 24 2HD1 ILE 24 2.630 10.537 -1.261 168 HD13 ILE 24 3HD1 ILE 24 3.874 11.786 -1.217 169 H LYS 25 H LYS 25 3.700 8.748 -6.584 170 HA LYS 25 HA LYS 25 1.407 6.950 -7.032 171 HB2 LYS 25 1HB LYS 25 3.611 7.851 -8.815 172 HB3 LYS 25 2HB LYS 25 3.070 6.186 -8.982 173 HG2 LYS 25 1HG LYS 25 1.010 8.322 -8.938 174 HG3 LYS 25 2HG LYS 25 2.005 8.148 -10.386 175 HD2 LYS 25 1HD LYS 25 0.306 6.714 -10.914 176 HD3 LYS 25 2HD LYS 25 1.380 5.596 -10.070 177 HE2 LYS 25 1HE LYS 25 0.090 5.691 -8.098 178 HE3 LYS 25 2HE LYS 25 -0.801 7.106 -8.656 179 HZ1 LYS 25 1HZ LYS 25 -0.956 4.453 -9.974 180 HZ2 LYS 25 2HZ LYS 25 -1.940 5.800 -10.256 181 HZ3 LYS 25 3HZ LYS 25 -2.044 4.970 -8.786 182 H VAL 26 H VAL 26 1.800 4.691 -6.980 183 HA VAL 26 HA VAL 26 4.334 3.881 -5.725 184 HB VAL 26 HB VAL 26 3.135 2.352 -4.233 185 HG11 VAL 26 1HG1 VAL 26 1.809 4.946 -3.680 186 HG12 VAL 26 2HG1 VAL 26 2.773 3.915 -2.621 187 HG13 VAL 26 3HG1 VAL 26 3.568 4.943 -3.814 188 HG21 VAL 26 1HG2 VAL 26 1.140 1.835 -5.339 189 HG22 VAL 26 2HG2 VAL 26 0.626 2.810 -3.962 190 HG23 VAL 26 3HG2 VAL 26 0.720 3.532 -5.569 191 H PHE 27 H PHE 27 5.209 2.044 -6.500 192 HA PHE 27 HA PHE 27 3.560 0.206 -8.059 193 HB2 PHE 27 1HB PHE 27 5.359 0.161 -9.842 194 HB3 PHE 27 2HB PHE 27 4.374 1.620 -9.793 195 HD1 PHE 27 2HD PHE 27 7.669 0.199 -8.968 196 HD2 PHE 27 1HD PHE 27 5.329 3.736 -9.320 197 HE1 PHE 27 2HE PHE 27 9.709 1.562 -8.787 198 HE2 PHE 27 1HE PHE 27 7.366 5.105 -9.141 199 HZ PHE 27 HZ PHE 27 9.559 4.019 -8.873 200 H GLY 28 H GLY 28 4.104 -1.881 -7.768 201 HA2 GLY 28 1HA GLY 28 6.360 -3.228 -7.559 202 HA3 GLY 28 2HA GLY 28 6.362 -2.430 -5.993 203 HA PRO 29 HA PRO 29 3.911 -6.487 -5.956 204 HB2 PRO 29 1HB PRO 29 5.635 -7.930 -4.434 205 HB3 PRO 29 2HB PRO 29 5.713 -7.891 -6.199 206 HG2 PRO 29 1HG PRO 29 7.337 -6.369 -4.198 207 HG3 PRO 29 2HG PRO 29 7.866 -7.181 -5.683 208 HD2 PRO 29 1HD PRO 29 7.475 -4.505 -5.545 209 HD3 PRO 29 2HD PRO 29 7.185 -5.437 -7.028 210 H GLY 30 H GLY 30 5.889 -4.930 -3.447 211 HA2 GLY 30 1HA GLY 30 4.487 -5.843 -1.206 212 HA3 GLY 30 2HA GLY 30 5.411 -4.350 -1.280 213 H ILE 31 H ILE 31 3.562 -3.546 -3.591 214 HA ILE 31 HA ILE 31 1.320 -2.674 -1.887 215 HB ILE 31 HB ILE 31 2.968 -0.904 -2.719 216 HG12 ILE 31 1HG1 ILE 31 1.045 0.653 -3.356 217 HG13 ILE 31 2HG1 ILE 31 -0.005 -0.753 -3.210 218 HG21 ILE 31 1HG2 ILE 31 1.475 -1.317 -5.303 219 HG22 ILE 31 2HG2 ILE 31 2.729 -0.122 -4.977 220 HG23 ILE 31 3HG2 ILE 31 3.135 -1.838 -5.013 221 HD11 ILE 31 1HD1 ILE 31 1.788 -0.069 -0.941 222 HD12 ILE 31 2HD1 ILE 31 0.337 0.897 -1.210 223 HD13 ILE 31 3HD1 ILE 31 0.203 -0.840 -0.939 224 H GLU 32 H GLU 32 2.249 -4.289 -4.759 225 HA GLU 32 HA GLU 32 -0.379 -4.052 -5.987 226 HB2 GLU 32 1HB GLU 32 2.146 -5.465 -6.853 227 HB3 GLU 32 2HB GLU 32 0.644 -5.509 -7.764 228 HG2 GLU 32 1HG GLU 32 1.817 -2.874 -7.026 229 HG3 GLU 32 2HG GLU 32 2.518 -3.794 -8.357 230 H GLY 33 H GLY 33 1.727 -6.610 -4.688 231 HA2 GLY 33 1HA GLY 33 0.777 -8.312 -3.254 232 HA3 GLY 33 2HA GLY 33 -0.703 -8.206 -4.194 233 H LYS 34 H LYS 34 2.652 -8.470 -5.312 234 HA LYS 34 HA LYS 34 1.869 -10.759 -6.946 235 HB2 LYS 34 1HB LYS 34 4.561 -9.410 -6.951 236 HB3 LYS 34 2HB LYS 34 3.818 -10.365 -8.228 237 HG2 LYS 34 1HG LYS 34 2.859 -7.665 -7.299 238 HG3 LYS 34 2HG LYS 34 3.844 -7.964 -8.733 239 HD2 LYS 34 1HD LYS 34 1.265 -9.430 -8.400 240 HD3 LYS 34 2HD LYS 34 1.238 -7.745 -8.924 241 HE2 LYS 34 1HE LYS 34 2.920 -8.432 -10.700 242 HE3 LYS 34 2HE LYS 34 2.537 -10.099 -10.273 243 HZ1 LYS 34 1HZ LYS 34 0.098 -9.159 -10.627 244 HZ2 LYS 34 2HZ LYS 34 1.014 -9.802 -11.895 245 HZ3 LYS 34 3HZ LYS 34 0.923 -8.126 -11.684 246 H ASP 35 H ASP 35 4.835 -9.980 -5.128 247 HA ASP 35 HA ASP 35 5.031 -12.816 -4.391 248 HB2 ASP 35 1HB ASP 35 7.195 -10.730 -4.115 249 HB3 ASP 35 2HB ASP 35 7.372 -12.482 -4.090 250 H VAL 36 H VAL 36 3.254 -10.911 -3.059 251 HA VAL 36 HA VAL 36 4.484 -10.392 -0.484 252 HB VAL 36 HB VAL 36 1.570 -10.052 -1.165 253 HG11 VAL 36 1HG1 VAL 36 2.951 -8.154 0.595 254 HG12 VAL 36 2HG1 VAL 36 1.384 -8.944 0.781 255 HG13 VAL 36 3HG1 VAL 36 2.863 -9.804 1.211 256 HG21 VAL 36 1HG2 VAL 36 2.148 -7.701 -1.736 257 HG22 VAL 36 2HG2 VAL 36 3.853 -8.152 -1.691 258 HG23 VAL 36 3HG2 VAL 36 2.779 -8.884 -2.883 259 H PHE 37 H PHE 37 4.102 -13.170 -1.478 260 HA PHE 37 HA PHE 37 2.000 -14.467 -0.174 261 HB2 PHE 37 1HB PHE 37 4.721 -15.707 -0.536 262 HB3 PHE 37 2HB PHE 37 3.144 -16.487 -0.603 263 HD1 PHE 37 1HD PHE 37 1.551 -15.341 -2.478 264 HD2 PHE 37 2HD PHE 37 5.805 -15.484 -2.533 265 HE1 PHE 37 1HE PHE 37 1.524 -15.079 -4.924 266 HE2 PHE 37 2HE PHE 37 5.785 -15.222 -4.979 267 HZ PHE 37 HZ PHE 37 3.643 -15.018 -6.178 268 H ARG 38 H ARG 38 1.865 -15.570 1.797 269 HA ARG 38 HA ARG 38 2.718 -14.308 4.062 270 HB2 ARG 38 1HB ARG 38 1.047 -16.278 3.736 271 HB3 ARG 38 2HB ARG 38 2.445 -17.296 4.058 272 HG2 ARG 38 1HG ARG 38 2.742 -16.263 6.224 273 HG3 ARG 38 2HG ARG 38 1.413 -15.149 5.899 274 HD2 ARG 38 1HD ARG 38 -0.186 -16.753 6.196 275 HD3 ARG 38 2HD ARG 38 0.873 -18.059 5.668 276 HE ARG 38 HE ARG 38 0.563 -17.046 8.349 277 HH11 ARG 38 1HH1 ARG 38 2.597 -18.818 6.148 278 HH12 ARG 38 2HH1 ARG 38 3.436 -19.668 7.403 279 HH21 ARG 38 1HH2 ARG 38 1.660 -18.159 10.010 280 HH22 ARG 38 2HH2 ARG 38 2.902 -19.294 9.599 281 H GLU 39 H GLU 39 4.487 -14.300 5.350 282 HA GLU 39 HA GLU 39 6.641 -14.589 6.019 283 HB2 GLU 39 1HB GLU 39 6.107 -17.316 4.851 284 HB3 GLU 39 2HB GLU 39 7.633 -16.902 5.619 285 HG2 GLU 39 1HG GLU 39 5.017 -16.549 7.034 286 HG3 GLU 39 2HG GLU 39 5.869 -18.092 7.024 287 H ALA 40 H ALA 40 6.107 -13.376 3.473 288 HA ALA 40 HA ALA 40 8.579 -14.084 2.030 289 HB1 ALA 40 1HB ALA 40 7.571 -13.538 -0.028 290 HB2 ALA 40 2HB ALA 40 6.388 -14.525 0.833 291 HB3 ALA 40 3HB ALA 40 6.191 -12.774 0.761 292 H THR 41 H THR 41 9.914 -12.430 1.338 293 HA THR 41 HA THR 41 9.600 -9.920 2.772 294 HB THR 41 HB THR 41 11.896 -10.869 1.045 295 HG1 THR 41 1HG THR 41 11.150 -11.733 3.399 296 HG21 THR 41 1HG2 THR 41 12.516 -8.717 1.175 297 HG22 THR 41 2HG2 THR 41 12.868 -9.055 2.870 298 HG23 THR 41 3HG2 THR 41 11.315 -8.356 2.414 299 H THR 42 H THR 42 8.159 -8.623 1.754 300 HA THR 42 HA THR 42 8.684 -7.998 -1.080 301 HB THR 42 HB THR 42 6.481 -9.114 -0.656 302 HG1 THR 42 1HG THR 42 6.887 -6.669 -1.891 303 HG21 THR 42 1HG2 THR 42 4.747 -7.365 0.260 304 HG22 THR 42 2HG2 THR 42 6.159 -6.718 1.096 305 HG23 THR 42 3HG2 THR 42 5.659 -8.387 1.370 306 H ASP 43 H ASP 43 8.590 -5.841 -1.732 307 HA ASP 43 HA ASP 43 8.103 -3.773 0.245 308 HB2 ASP 43 1HB ASP 43 10.313 -2.694 -0.169 309 HB3 ASP 43 2HB ASP 43 10.435 -4.235 0.675 310 H PHE 44 H PHE 44 7.603 -1.787 -0.647 311 HA PHE 44 HA PHE 44 7.373 -1.757 -3.583 312 HB2 PHE 44 1HB PHE 44 5.496 -0.133 -3.206 313 HB3 PHE 44 2HB PHE 44 5.188 -1.753 -2.589 314 HD1 PHE 44 2HD PHE 44 5.667 -2.152 -0.090 315 HD2 PHE 44 1HD PHE 44 5.221 1.706 -1.832 316 HE1 PHE 44 2HE PHE 44 5.165 -1.213 2.128 317 HE2 PHE 44 1HE PHE 44 4.719 2.652 0.384 318 HZ PHE 44 HZ PHE 44 4.689 1.192 2.367 319 H THR 45 H THR 45 7.130 0.635 -4.379 320 HA THR 45 HA THR 45 9.142 2.307 -3.030 321 HB THR 45 HB THR 45 8.937 2.030 -6.030 322 HG1 THR 45 1HG THR 45 11.130 1.036 -4.594 323 HG21 THR 45 1HG2 THR 45 9.866 4.154 -4.979 324 HG22 THR 45 2HG2 THR 45 10.914 3.322 -6.127 325 HG23 THR 45 3HG2 THR 45 11.198 3.158 -4.395 326 H VAL 46 H VAL 46 8.571 4.375 -2.752 327 HA VAL 46 HA VAL 46 6.085 5.288 -4.027 328 HB VAL 46 HB VAL 46 7.468 6.300 -1.539 329 HG11 VAL 46 1HG1 VAL 46 6.415 8.169 -2.537 330 HG12 VAL 46 2HG1 VAL 46 4.982 7.229 -2.958 331 HG13 VAL 46 3HG1 VAL 46 5.324 7.610 -1.270 332 HG21 VAL 46 1HG2 VAL 46 5.941 5.143 -0.283 333 HG22 VAL 46 2HG2 VAL 46 4.731 5.126 -1.566 334 HG23 VAL 46 3HG2 VAL 46 6.118 4.040 -1.648 335 H ASP 47 H ASP 47 6.409 6.500 -5.769 336 HA ASP 47 HA ASP 47 8.847 8.026 -6.103 337 HB2 ASP 47 1HB ASP 47 7.411 6.705 -7.900 338 HB3 ASP 47 2HB ASP 47 6.564 8.245 -8.014 339 H SER 48 H SER 48 9.092 10.151 -5.795 340 HA SER 48 HA SER 48 6.688 11.805 -5.424 341 HB2 SER 48 1HB SER 48 7.997 13.016 -3.602 342 HB3 SER 48 2HB SER 48 7.413 11.403 -3.195 343 HG SER 48 HG SER 48 9.419 10.644 -3.233 344 H ARG 49 H ARG 49 6.698 13.607 -6.596 345 HA ARG 49 HA ARG 49 9.273 14.546 -7.680 346 HB2 ARG 49 1HB ARG 49 6.643 14.090 -8.946 347 HB3 ARG 49 2HB ARG 49 7.456 15.579 -9.408 348 HG2 ARG 49 1HG ARG 49 9.207 14.474 -10.412 349 HG3 ARG 49 2HG ARG 49 8.959 13.005 -9.467 350 HD2 ARG 49 1HD ARG 49 8.059 12.267 -11.406 351 HD3 ARG 49 2HD ARG 49 6.626 13.081 -10.778 352 HE ARG 49 HE ARG 49 6.865 14.710 -12.394 353 HH11 ARG 49 1HH1 ARG 49 9.666 12.643 -12.350 354 HH12 ARG 49 2HH1 ARG 49 10.308 13.263 -13.835 355 HH21 ARG 49 1HH2 ARG 49 7.700 15.535 -14.350 356 HH22 ARG 49 2HH2 ARG 49 9.190 14.909 -14.971 357 HA PRO 50 HA PRO 50 6.815 18.600 -6.986 358 HB2 PRO 50 1HB PRO 50 4.198 18.433 -6.284 359 HB3 PRO 50 2HB PRO 50 4.743 18.448 -7.966 360 HG2 PRO 50 1HG PRO 50 3.958 16.124 -6.250 361 HG3 PRO 50 2HG PRO 50 3.550 16.452 -7.944 362 HD2 PRO 50 1HD PRO 50 5.506 14.724 -7.225 363 HD3 PRO 50 2HD PRO 50 5.585 15.689 -8.712 364 H LEU 51 H LEU 51 7.156 16.061 -4.962 365 HA LEU 51 HA LEU 51 6.488 17.637 -2.565 366 HB2 LEU 51 1HB LEU 51 6.911 14.663 -2.647 367 HB3 LEU 51 2HB LEU 51 6.191 15.624 -1.357 368 HG LEU 51 HG LEU 51 4.979 14.905 -4.019 369 HD11 LEU 51 1HD1 LEU 51 4.737 13.153 -2.438 370 HD12 LEU 51 2HD1 LEU 51 3.194 14.004 -2.499 371 HD13 LEU 51 3HD1 LEU 51 4.301 14.281 -1.154 372 HD21 LEU 51 1HD2 LEU 51 3.213 16.364 -3.655 373 HD22 LEU 51 2HD2 LEU 51 4.618 17.327 -3.197 374 HD23 LEU 51 3HD2 LEU 51 3.613 16.585 -1.951 375 H THR 52 H THR 52 8.930 15.689 -4.166 376 HA THR 52 HA THR 52 11.043 17.057 -2.822 377 HB THR 52 HB THR 52 10.389 15.437 -1.051 378 HG1 THR 52 1HG THR 52 12.485 15.905 -0.845 379 HG21 THR 52 1HG2 THR 52 9.787 13.664 -2.863 380 HG22 THR 52 2HG2 THR 52 10.471 13.136 -1.326 381 HG23 THR 52 3HG2 THR 52 11.495 13.240 -2.757 382 H GLN 53 H GLN 53 13.121 16.548 -3.675 383 HA GLN 53 HA GLN 53 13.032 14.926 -6.133 384 HB2 GLN 53 1HB GLN 53 14.506 17.512 -5.622 385 HB3 GLN 53 2HB GLN 53 14.760 16.500 -7.038 386 HG2 GLN 53 1HG GLN 53 13.268 17.965 -7.903 387 HG3 GLN 53 2HG GLN 53 12.142 16.774 -7.256 388 HE21 GLN 53 1HE2 GLN 53 10.505 17.631 -6.218 389 HE22 GLN 53 2HE2 GLN 53 10.520 19.102 -5.313 390 H VAL 54 H VAL 54 14.802 15.838 -3.275 391 HA VAL 54 HA VAL 54 16.908 13.895 -3.957 392 HB VAL 54 HB VAL 54 18.325 14.999 -2.318 393 HG11 VAL 54 1HG1 VAL 54 18.896 16.136 -4.155 394 HG12 VAL 54 2HG1 VAL 54 17.216 16.350 -4.650 395 HG13 VAL 54 3HG1 VAL 54 17.941 17.457 -3.484 396 HG21 VAL 54 1HG2 VAL 54 17.528 16.284 -0.689 397 HG22 VAL 54 2HG2 VAL 54 16.784 17.379 -1.854 398 HG23 VAL 54 3HG2 VAL 54 15.902 15.960 -1.289 399 H GLY 55 H GLY 55 14.327 13.107 -2.964 400 HA2 GLY 55 1HA GLY 55 13.427 11.677 -1.410 401 HA3 GLY 55 2HA GLY 55 15.085 11.270 -0.991 402 H GLY 56 H GLY 56 12.759 11.534 0.755 403 HA2 GLY 56 1HA GLY 56 13.906 13.524 2.593 404 HA3 GLY 56 2HA GLY 56 12.179 13.545 2.269 405 H ASP 57 H ASP 57 12.305 13.314 4.716 406 HA ASP 57 HA ASP 57 12.116 10.453 5.351 407 HB2 ASP 57 1HB ASP 57 13.323 12.472 7.246 408 HB3 ASP 57 2HB ASP 57 13.263 10.722 7.435 409 H HIS 58 H HIS 58 9.947 11.967 4.679 410 HA HIS 58 HA HIS 58 8.608 12.362 7.274 411 HB2 HIS 58 1HB HIS 58 8.560 14.013 4.794 412 HB3 HIS 58 2HB HIS 58 7.070 13.883 5.722 413 HD1 HIS 58 1HD HIS 58 6.860 15.953 7.049 414 HD2 HIS 58 2HD HIS 58 10.765 14.536 7.012 415 HE1 HIS 58 1HE HIS 58 8.150 17.497 8.558 416 H ILE 59 H ILE 59 8.826 9.938 5.659 417 HA ILE 59 HA ILE 59 6.051 9.594 4.755 418 HB ILE 59 HB ILE 59 8.479 7.876 4.233 419 HG12 ILE 59 1HG1 ILE 59 8.480 10.003 3.000 420 HG13 ILE 59 2HG1 ILE 59 8.233 8.639 1.914 421 HG21 ILE 59 1HG2 ILE 59 5.600 7.415 3.856 422 HG22 ILE 59 2HG2 ILE 59 6.616 7.037 2.465 423 HG23 ILE 59 3HG2 ILE 59 6.924 6.263 4.019 424 HD11 ILE 59 1HD1 ILE 59 5.690 9.556 2.761 425 HD12 ILE 59 2HD1 ILE 59 6.640 10.949 2.241 426 HD13 ILE 59 3HD1 ILE 59 6.397 9.588 1.146 427 H LYS 60 H LYS 60 4.781 7.903 5.514 428 HA LYS 60 HA LYS 60 5.821 6.186 7.619 429 HB2 LYS 60 1HB LYS 60 5.110 8.069 8.923 430 HB3 LYS 60 2HB LYS 60 3.589 8.173 8.047 431 HG2 LYS 60 1HG LYS 60 2.782 6.173 9.045 432 HG3 LYS 60 2HG LYS 60 4.365 5.810 9.737 433 HD2 LYS 60 1HD LYS 60 4.139 8.002 11.008 434 HD3 LYS 60 2HD LYS 60 2.446 7.995 10.509 435 HE2 LYS 60 1HE LYS 60 2.235 5.732 11.545 436 HE3 LYS 60 2HE LYS 60 3.871 5.923 12.171 437 HZ1 LYS 60 1HZ LYS 60 1.476 7.531 12.847 438 HZ2 LYS 60 2HZ LYS 60 3.046 8.002 13.268 439 HZ3 LYS 60 3HZ LYS 60 2.401 6.563 13.882 440 H ALA 61 H ALA 61 4.851 4.228 7.666 441 HA ALA 61 HA ALA 61 2.335 3.886 6.184 442 HB1 ALA 61 1HB ALA 61 3.250 2.585 4.636 443 HB2 ALA 61 2HB ALA 61 4.836 3.023 5.273 444 HB3 ALA 61 3HB ALA 61 4.018 1.577 5.864 445 H HIS 62 H HIS 62 1.054 2.103 6.833 446 HA HIS 62 HA HIS 62 1.892 0.614 9.194 447 HB2 HIS 62 1HB HIS 62 0.780 2.682 10.029 448 HB3 HIS 62 2HB HIS 62 -0.676 2.213 9.156 449 HD1 HIS 62 1HD HIS 62 0.325 2.310 12.427 450 HD2 HIS 62 2HD HIS 62 -1.128 -0.795 10.079 451 HE1 HIS 62 1HE HIS 62 -0.586 0.614 14.044 452 H ILE 63 H ILE 63 1.545 -1.435 8.676 453 HA ILE 63 HA ILE 63 -0.500 -2.149 6.745 454 HB ILE 63 HB ILE 63 1.455 -3.930 8.203 455 HG12 ILE 63 1HG1 ILE 63 1.684 -3.128 5.323 456 HG13 ILE 63 2HG1 ILE 63 2.295 -2.057 6.579 457 HG21 ILE 63 1HG2 ILE 63 0.620 -4.965 5.693 458 HG22 ILE 63 2HG2 ILE 63 0.372 -5.642 7.302 459 HG23 ILE 63 3HG2 ILE 63 -0.816 -4.531 6.619 460 HD11 ILE 63 1HD1 ILE 63 3.198 -4.832 5.898 461 HD12 ILE 63 2HD1 ILE 63 4.129 -3.334 5.883 462 HD13 ILE 63 3HD1 ILE 63 3.624 -4.044 7.416 463 H ALA 64 H ALA 64 -2.279 -3.427 7.135 464 HA ALA 64 HA ALA 64 -2.819 -4.195 9.918 465 HB1 ALA 64 1HB ALA 64 -5.225 -3.298 8.591 466 HB2 ALA 64 2HB ALA 64 -4.558 -2.830 10.155 467 HB3 ALA 64 3HB ALA 64 -4.020 -2.014 8.687 468 H ASN 65 H ASN 65 -3.079 -6.326 9.900 469 HA ASN 65 HA ASN 65 -3.750 -7.809 7.573 470 HB2 ASN 65 1HB ASN 65 -3.451 -8.513 10.484 471 HB3 ASN 65 2HB ASN 65 -4.013 -9.704 9.314 472 HD21 ASN 65 1HD2 ASN 65 -1.588 -9.694 10.901 473 HD22 ASN 65 2HD2 ASN 65 -0.274 -9.758 9.782 474 HA PRO 66 HA PRO 66 -8.136 -7.921 7.657 475 HB2 PRO 66 1HB PRO 66 -8.639 -10.463 6.847 476 HB3 PRO 66 2HB PRO 66 -8.030 -9.211 5.758 477 HG2 PRO 66 1HG PRO 66 -6.534 -11.390 7.164 478 HG3 PRO 66 2HG PRO 66 -6.373 -10.820 5.493 479 HD2 PRO 66 1HD PRO 66 -4.659 -10.082 7.455 480 HD3 PRO 66 2HD PRO 66 -5.077 -9.013 6.100 481 H SER 67 H SER 67 -6.311 -9.569 9.885 482 HA SER 67 HA SER 67 -8.666 -10.709 11.231 483 HB2 SER 67 1HB SER 67 -5.721 -11.338 11.492 484 HB3 SER 67 2HB SER 67 -6.940 -11.955 12.607 485 HG SER 67 HG SER 67 -6.238 -13.135 10.482 486 H GLY 68 H GLY 68 -6.147 -8.344 11.454 487 HA2 GLY 68 1HA GLY 68 -6.951 -6.473 12.999 488 HA3 GLY 68 2HA GLY 68 -6.939 -7.729 14.228 489 H ALA 69 H ALA 69 -4.523 -8.991 13.134 490 HA ALA 69 HA ALA 69 -2.595 -7.700 14.688 491 HB1 ALA 69 1HB ALA 69 -1.870 -9.799 14.369 492 HB2 ALA 69 2HB ALA 69 -2.640 -9.934 12.788 493 HB3 ALA 69 3HB ALA 69 -1.080 -9.127 12.942 494 H SER 70 H SER 70 -0.492 -6.834 13.887 495 HA SER 70 HA SER 70 -0.836 -5.238 11.437 496 HB2 SER 70 1HB SER 70 0.471 -3.424 12.639 497 HB3 SER 70 2HB SER 70 -1.170 -3.693 13.227 498 HG SER 70 HG SER 70 -0.255 -3.960 15.093 499 H THR 71 H THR 71 0.815 -5.298 10.043 500 HA THR 71 HA THR 71 3.136 -6.912 10.733 501 HB THR 71 HB THR 71 2.454 -5.674 8.061 502 HG1 THR 71 1HG THR 71 0.888 -7.246 9.006 503 HG21 THR 71 1HG2 THR 71 4.042 -8.168 8.373 504 HG22 THR 71 2HG2 THR 71 4.831 -6.639 8.758 505 HG23 THR 71 3HG2 THR 71 4.153 -6.902 7.151 506 H GLU 72 H GLU 72 5.195 -6.184 10.899 507 HA GLU 72 HA GLU 72 5.602 -3.386 11.321 508 HB2 GLU 72 1HB GLU 72 6.760 -5.375 12.494 509 HB3 GLU 72 2HB GLU 72 7.806 -5.416 11.083 510 HG2 GLU 72 1HG GLU 72 8.543 -3.161 11.509 511 HG3 GLU 72 2HG GLU 72 7.416 -3.017 12.857 512 H CYS 73 H CYS 73 6.450 -1.886 10.000 513 HA CYS 73 HA CYS 73 7.435 -2.785 7.372 514 HB2 CYS 73 1HB CYS 73 6.510 -0.725 6.412 515 HB3 CYS 73 2HB CYS 73 5.252 -1.688 7.178 516 HG CYS 73 HG CYS 73 4.897 -0.085 9.348 517 H PHE 74 H PHE 74 9.199 -1.721 6.484 518 HA PHE 74 HA PHE 74 10.612 0.124 8.294 519 HB2 PHE 74 1HB PHE 74 11.825 -2.001 6.516 520 HB3 PHE 74 2HB PHE 74 12.732 -0.853 7.495 521 HD1 PHE 74 1HD PHE 74 10.001 -3.364 7.905 522 HD2 PHE 74 2HD PHE 74 13.515 -1.585 9.519 523 HE1 PHE 74 1HE PHE 74 9.916 -4.926 9.804 524 HE2 PHE 74 2HE PHE 74 13.436 -3.145 11.420 525 HZ PHE 74 HZ PHE 74 11.635 -4.818 11.564 526 H VAL 75 H VAL 75 10.504 2.083 7.409 527 HA VAL 75 HA VAL 75 10.381 2.441 4.542 528 HB VAL 75 HB VAL 75 10.466 4.487 6.763 529 HG11 VAL 75 1HG1 VAL 75 9.824 4.840 3.837 530 HG12 VAL 75 2HG1 VAL 75 9.749 6.092 5.078 531 HG13 VAL 75 3HG1 VAL 75 11.300 5.377 4.637 532 HG21 VAL 75 1HG2 VAL 75 8.397 3.645 7.100 533 HG22 VAL 75 2HG2 VAL 75 7.992 4.665 5.720 534 HG23 VAL 75 3HG2 VAL 75 8.300 2.945 5.484 535 H THR 76 H THR 76 11.990 3.069 3.225 536 HA THR 76 HA THR 76 14.520 3.969 4.416 537 HB THR 76 HB THR 76 14.298 1.865 2.254 538 HG1 THR 76 1HG THR 76 15.389 0.608 3.956 539 HG21 THR 76 1HG2 THR 76 16.253 2.975 1.711 540 HG22 THR 76 2HG2 THR 76 16.844 1.753 2.838 541 HG23 THR 76 3HG2 THR 76 16.594 3.410 3.385 542 H ASP 77 H ASP 77 15.010 5.884 3.592 543 HA ASP 77 HA ASP 77 13.879 6.734 1.059 544 HB2 ASP 77 1HB ASP 77 13.822 8.327 2.875 545 HB3 ASP 77 2HB ASP 77 15.562 8.182 3.111 546 H ASN 78 H ASN 78 14.888 6.509 -0.815 547 HA ASN 78 HA ASN 78 17.615 5.619 -0.937 548 HB2 ASN 78 1HB ASN 78 15.562 6.280 -3.048 549 HB3 ASN 78 2HB ASN 78 17.205 5.787 -3.447 550 HD21 ASN 78 1HD2 ASN 78 14.152 4.797 -2.125 551 HD22 ASN 78 2HD2 ASN 78 14.456 3.097 -2.162 552 H ALA 79 H ALA 79 16.294 8.601 -0.512 553 HA ALA 79 HA ALA 79 17.073 10.733 -0.679 554 HB1 ALA 79 1HB ALA 79 19.673 10.807 -1.165 555 HB2 ALA 79 2HB ALA 79 19.035 10.312 0.403 556 HB3 ALA 79 3HB ALA 79 19.547 9.094 -0.764 557 H ASP 80 H ASP 80 16.139 9.261 -3.085 558 HA ASP 80 HA ASP 80 17.361 11.028 -5.098 559 HB2 ASP 80 1HB ASP 80 17.917 8.467 -5.203 560 HB3 ASP 80 2HB ASP 80 16.295 8.339 -5.877 561 H GLY 81 H GLY 81 14.901 11.193 -3.406 562 HA2 GLY 81 1HA GLY 81 12.869 12.247 -3.814 563 HA3 GLY 81 2HA GLY 81 13.113 11.991 -5.536 564 H THR 82 H THR 82 13.508 9.231 -3.553 565 HA THR 82 HA THR 82 10.733 8.385 -3.923 566 HB THR 82 HB THR 82 11.478 6.181 -4.821 567 HG1 THR 82 1HG THR 82 13.589 5.945 -4.482 568 HG21 THR 82 1HG2 THR 82 10.665 7.341 -6.590 569 HG22 THR 82 2HG2 THR 82 12.358 7.345 -7.086 570 HG23 THR 82 3HG2 THR 82 11.675 8.749 -6.265 571 H TYR 83 H TYR 83 10.147 6.527 -2.649 572 HA TYR 83 HA TYR 83 11.976 6.061 -0.384 573 HB2 TYR 83 1HB TYR 83 8.958 6.013 -0.250 574 HB3 TYR 83 2HB TYR 83 10.089 5.936 1.097 575 HD1 TYR 83 1HD TYR 83 8.525 8.125 -1.398 576 HD2 TYR 83 2HD TYR 83 11.169 7.933 1.930 577 HE1 TYR 83 1HE TYR 83 8.421 10.573 -1.181 578 HE2 TYR 83 2HE TYR 83 11.071 10.380 2.157 579 HH TYR 83 HH TYR 83 10.566 12.360 0.523 580 H GLN 84 H GLN 84 11.741 3.982 0.692 581 HA GLN 84 HA GLN 84 10.507 1.881 -0.932 582 HB2 GLN 84 1HB GLN 84 12.956 2.139 -1.513 583 HB3 GLN 84 2HB GLN 84 13.320 1.637 0.132 584 HG2 GLN 84 1HG GLN 84 13.484 -0.369 -0.901 585 HG3 GLN 84 2HG GLN 84 11.761 -0.392 -0.528 586 HE21 GLN 84 1HE2 GLN 84 10.567 -1.079 -2.138 587 HE22 GLN 84 2HE2 GLN 84 10.883 -0.849 -3.820 588 H VAL 85 H VAL 85 9.189 0.783 0.348 589 HA VAL 85 HA VAL 85 9.939 0.433 3.178 590 HB VAL 85 HB VAL 85 7.152 0.476 2.012 591 HG11 VAL 85 1HG1 VAL 85 6.749 0.791 4.615 592 HG12 VAL 85 2HG1 VAL 85 6.857 -0.806 3.873 593 HG13 VAL 85 3HG1 VAL 85 8.255 -0.122 4.702 594 HG21 VAL 85 1HG2 VAL 85 7.704 2.698 1.937 595 HG22 VAL 85 2HG2 VAL 85 7.121 2.580 3.597 596 HG23 VAL 85 3HG2 VAL 85 8.853 2.572 3.269 597 H GLU 86 H GLU 86 10.212 -1.581 3.896 598 HA GLU 86 HA GLU 86 9.218 -3.795 2.224 599 HB2 GLU 86 1HB GLU 86 11.682 -3.570 2.193 600 HB3 GLU 86 2HB GLU 86 11.706 -3.755 3.941 601 HG2 GLU 86 1HG GLU 86 10.519 -5.992 3.513 602 HG3 GLU 86 2HG GLU 86 11.054 -5.788 1.846 603 H TYR 87 H TYR 87 8.102 -5.411 3.188 604 HA TYR 87 HA TYR 87 8.062 -5.628 6.091 605 HB2 TYR 87 1HB TYR 87 5.694 -5.379 6.314 606 HB3 TYR 87 2HB TYR 87 6.281 -3.971 5.437 607 HD1 TYR 87 2HD TYR 87 4.388 -7.109 5.162 608 HD2 TYR 87 1HD TYR 87 5.659 -3.587 3.143 609 HE1 TYR 87 2HE TYR 87 2.775 -7.566 3.363 610 HE2 TYR 87 1HE TYR 87 4.048 -4.033 1.338 611 HH TYR 87 HH TYR 87 2.372 -5.323 0.644 612 H THR 88 H THR 88 7.139 -7.601 6.854 613 HA THR 88 HA THR 88 6.774 -9.652 4.771 614 HB THR 88 HB THR 88 8.089 -10.248 7.414 615 HG1 THR 88 1HG THR 88 9.452 -8.776 6.398 616 HG21 THR 88 1HG2 THR 88 8.582 -12.308 6.528 617 HG22 THR 88 2HG2 THR 88 8.589 -11.714 4.868 618 HG23 THR 88 3HG2 THR 88 7.059 -11.975 5.704 619 HA PRO 89 HA PRO 89 2.978 -9.872 7.233 620 HB2 PRO 89 1HB PRO 89 1.563 -11.176 5.317 621 HB3 PRO 89 2HB PRO 89 1.810 -9.425 5.306 622 HG2 PRO 89 1HG PRO 89 3.260 -11.552 3.778 623 HG3 PRO 89 2HG PRO 89 2.682 -9.971 3.220 624 HD2 PRO 89 1HD PRO 89 5.268 -10.427 3.880 625 HD3 PRO 89 2HD PRO 89 4.484 -8.853 4.124 626 H PHE 90 H PHE 90 2.193 -11.493 8.490 627 HA PHE 90 HA PHE 90 3.336 -14.173 8.064 628 HB2 PHE 90 1HB PHE 90 2.649 -14.356 10.605 629 HB3 PHE 90 2HB PHE 90 4.155 -13.575 10.134 630 HD1 PHE 90 1HD PHE 90 0.664 -12.950 11.161 631 HD2 PHE 90 2HD PHE 90 4.546 -11.300 10.592 632 HE1 PHE 90 1HE PHE 90 -0.039 -10.903 12.331 633 HE2 PHE 90 2HE PHE 90 3.850 -9.250 11.762 634 HZ PHE 90 HZ PHE 90 1.555 -9.050 12.634 635 H GLU 91 H GLU 91 0.810 -12.959 6.976 636 HA GLU 91 HA GLU 91 -0.896 -15.222 7.574 637 HB2 GLU 91 1HB GLU 91 -1.608 -12.400 8.311 638 HB3 GLU 91 2HB GLU 91 -2.865 -13.550 7.877 639 HG2 GLU 91 1HG GLU 91 -1.699 -15.056 9.661 640 HG3 GLU 91 2HG GLU 91 -1.059 -13.521 10.244 641 H LYS 92 H LYS 92 -2.275 -15.733 5.918 642 HA LYS 92 HA LYS 92 -1.817 -14.321 3.416 643 HB2 LYS 92 1HB LYS 92 -3.279 -16.899 4.017 644 HB3 LYS 92 2HB LYS 92 -3.032 -16.241 2.404 645 HG2 LYS 92 1HG LYS 92 -0.693 -16.568 2.526 646 HG3 LYS 92 2HG LYS 92 -0.763 -16.907 4.257 647 HD2 LYS 92 1HD LYS 92 -2.348 -18.636 2.430 648 HD3 LYS 92 2HD LYS 92 -0.595 -18.845 2.456 649 HE2 LYS 92 1HE LYS 92 -0.847 -18.950 5.007 650 HE3 LYS 92 2HE LYS 92 -2.566 -19.186 4.695 651 HZ1 LYS 92 1HZ LYS 92 -1.598 -21.012 3.079 652 HZ2 LYS 92 2HZ LYS 92 -1.890 -21.335 4.714 653 HZ3 LYS 92 3HZ LYS 92 -0.321 -20.983 4.188 654 H GLY 93 H GLY 93 -3.057 -12.565 3.141 655 HA2 GLY 93 1HA GLY 93 -5.788 -12.746 2.608 656 HA3 GLY 93 2HA GLY 93 -5.624 -12.209 4.273 657 H LEU 94 H LEU 94 -6.876 -10.416 3.016 658 HA LEU 94 HA LEU 94 -5.089 -8.571 1.643 659 HB2 LEU 94 1HB LEU 94 -7.168 -8.730 0.588 660 HB3 LEU 94 2HB LEU 94 -8.047 -8.673 2.115 661 HG LEU 94 HG LEU 94 -7.338 -6.273 2.322 662 HD11 LEU 94 1HD1 LEU 94 -5.427 -6.494 0.722 663 HD12 LEU 94 2HD1 LEU 94 -6.482 -5.112 0.429 664 HD13 LEU 94 3HD1 LEU 94 -6.609 -6.549 -0.586 665 HD21 LEU 94 1HD2 LEU 94 -9.506 -6.301 1.691 666 HD22 LEU 94 2HD2 LEU 94 -9.215 -7.399 0.342 667 HD23 LEU 94 3HD2 LEU 94 -8.845 -5.682 0.177 668 H HIS 95 H HIS 95 -3.954 -7.136 2.751 669 HA HIS 95 HA HIS 95 -4.914 -6.292 5.395 670 HB2 HIS 95 1HB HIS 95 -2.184 -5.574 4.458 671 HB3 HIS 95 2HB HIS 95 -2.735 -6.050 6.062 672 HD2 HIS 95 2HD HIS 95 -0.292 -7.445 3.920 673 HE1 HIS 95 1HE HIS 95 -2.585 -10.877 4.898 674 HE2 HIS 95 2HE HIS 95 -0.374 -10.027 4.043 675 H VAL 96 H VAL 96 -4.636 -4.037 6.010 676 HA VAL 96 HA VAL 96 -5.102 -2.247 3.722 677 HB VAL 96 HB VAL 96 -5.943 -1.987 6.610 678 HG11 VAL 96 1HG1 VAL 96 -6.362 -0.053 4.333 679 HG12 VAL 96 2HG1 VAL 96 -7.046 0.093 5.953 680 HG13 VAL 96 3HG1 VAL 96 -5.300 0.194 5.719 681 HG21 VAL 96 1HG2 VAL 96 -8.229 -1.950 5.525 682 HG22 VAL 96 2HG2 VAL 96 -7.435 -2.485 4.044 683 HG23 VAL 96 3HG2 VAL 96 -7.380 -3.495 5.489 684 H VAL 97 H VAL 97 -3.213 -1.337 3.166 685 HA VAL 97 HA VAL 97 -1.361 -0.454 5.250 686 HB VAL 97 HB VAL 97 -1.014 -0.525 2.249 687 HG11 VAL 97 1HG1 VAL 97 1.117 -0.098 4.330 688 HG12 VAL 97 2HG1 VAL 97 1.250 0.079 2.579 689 HG13 VAL 97 3HG1 VAL 97 0.294 1.230 3.513 690 HG21 VAL 97 1HG2 VAL 97 -0.058 -2.359 4.439 691 HG22 VAL 97 2HG2 VAL 97 -1.115 -2.757 3.085 692 HG23 VAL 97 3HG2 VAL 97 0.583 -2.379 2.796 693 H GLU 98 H GLU 98 -1.363 1.577 5.932 694 HA GLU 98 HA GLU 98 -2.715 3.615 4.318 695 HB2 GLU 98 1HB GLU 98 -2.232 3.221 7.216 696 HB3 GLU 98 2HB GLU 98 -2.222 4.882 6.640 697 HG2 GLU 98 1HG GLU 98 -4.465 2.961 6.090 698 HG3 GLU 98 2HG GLU 98 -4.423 4.035 7.488 699 H VAL 99 H VAL 99 -1.752 5.599 3.838 700 HA VAL 99 HA VAL 99 1.102 5.895 4.427 701 HB VAL 99 HB VAL 99 -0.026 6.168 1.637 702 HG11 VAL 99 1HG1 VAL 99 2.217 7.348 2.805 703 HG12 VAL 99 2HG1 VAL 99 2.843 6.001 1.852 704 HG13 VAL 99 3HG1 VAL 99 1.844 7.236 1.086 705 HG21 VAL 99 1HG2 VAL 99 1.702 4.023 2.863 706 HG22 VAL 99 2HG2 VAL 99 0.078 3.837 2.203 707 HG23 VAL 99 3HG2 VAL 99 1.428 4.209 1.131 708 H THR 100 H THR 100 1.517 7.877 5.129 709 HA THR 100 HA THR 100 -0.186 10.095 4.205 710 HB THR 100 HB THR 100 0.055 11.108 6.486 711 HG1 THR 100 1HG THR 100 0.431 9.045 7.995 712 HG21 THR 100 1HG2 THR 100 -2.058 10.240 6.187 713 HG22 THR 100 2HG2 THR 100 -1.509 9.299 7.574 714 HG23 THR 100 3HG2 THR 100 -1.467 8.595 5.958 715 H TYR 101 H TYR 101 0.904 11.770 3.406 716 HA TYR 101 HA TYR 101 3.790 11.942 3.972 717 HB2 TYR 101 1HB TYR 101 3.204 11.432 1.612 718 HB3 TYR 101 2HB TYR 101 2.310 12.947 1.531 719 HD1 TYR 101 1HD TYR 101 3.781 15.054 2.353 720 HD2 TYR 101 2HD TYR 101 5.329 11.439 0.730 721 HE1 TYR 101 1HE TYR 101 5.836 16.236 1.696 722 HE2 TYR 101 2HE TYR 101 7.388 12.610 0.070 723 HH TYR 101 HH TYR 101 7.931 15.206 -0.483 724 H ASP 102 H ASP 102 4.305 13.551 5.283 725 HA ASP 102 HA ASP 102 4.368 15.584 6.301 726 HB2 ASP 102 1HB ASP 102 3.058 16.377 3.701 727 HB3 ASP 102 2HB ASP 102 3.482 17.548 4.947 728 H ASP 103 H ASP 103 2.287 13.829 7.002 729 HA ASP 103 HA ASP 103 0.432 13.817 8.324 730 HB2 ASP 103 1HB ASP 103 0.475 16.834 8.159 731 HB3 ASP 103 2HB ASP 103 -0.297 15.841 9.393 732 H VAL 104 H VAL 104 0.315 13.838 5.396 733 HA VAL 104 HA VAL 104 -2.527 14.486 5.142 734 HB VAL 104 HB VAL 104 -0.480 15.319 3.082 735 HG11 VAL 104 1HG1 VAL 104 -2.783 16.590 2.434 736 HG12 VAL 104 2HG1 VAL 104 -2.258 15.062 1.726 737 HG13 VAL 104 3HG1 VAL 104 -3.408 15.066 3.064 738 HG21 VAL 104 1HG2 VAL 104 -1.033 17.603 3.679 739 HG22 VAL 104 2HG2 VAL 104 -2.171 17.034 4.900 740 HG23 VAL 104 3HG2 VAL 104 -0.444 16.735 5.098 741 HA PRO 105 HA PRO 105 -2.317 10.368 3.454 742 HB2 PRO 105 1HB PRO 105 -4.976 10.138 2.958 743 HB3 PRO 105 2HB PRO 105 -4.283 9.976 4.576 744 HG2 PRO 105 1HG PRO 105 -5.625 12.337 3.317 745 HG3 PRO 105 2HG PRO 105 -5.809 11.689 4.957 746 HD2 PRO 105 1HD PRO 105 -4.265 13.845 4.408 747 HD3 PRO 105 2HD PRO 105 -3.879 12.701 5.709 748 H ILE 106 H ILE 106 -2.267 9.486 1.424 749 HA ILE 106 HA ILE 106 -2.525 11.342 -0.795 750 HB ILE 106 HB ILE 106 -1.605 9.406 -2.136 751 HG12 ILE 106 1HG1 ILE 106 -1.101 8.218 0.599 752 HG13 ILE 106 2HG1 ILE 106 -2.362 7.660 -0.496 753 HG21 ILE 106 1HG2 ILE 106 0.684 9.573 -0.949 754 HG22 ILE 106 2HG2 ILE 106 -0.049 11.039 -1.596 755 HG23 ILE 106 3HG2 ILE 106 -0.139 10.697 0.131 756 HD11 ILE 106 1HD1 ILE 106 -0.705 6.171 -0.967 757 HD12 ILE 106 2HD1 ILE 106 -0.346 7.419 -2.161 758 HD13 ILE 106 3HD1 ILE 106 0.583 7.336 -0.665 759 HA PRO 107 HA PRO 107 -6.376 9.907 -2.339 760 HB2 PRO 107 1HB PRO 107 -5.994 10.148 -5.016 761 HB3 PRO 107 2HB PRO 107 -6.204 11.539 -3.947 762 HG2 PRO 107 1HG PRO 107 -3.683 10.366 -5.055 763 HG3 PRO 107 2HG PRO 107 -4.152 12.070 -4.903 764 HD2 PRO 107 1HD PRO 107 -2.474 10.859 -3.156 765 HD3 PRO 107 2HD PRO 107 -3.584 12.157 -2.671 766 H ASN 108 H ASN 108 -3.658 8.089 -2.499 767 HA ASN 108 HA ASN 108 -4.856 5.993 -4.171 768 HB2 ASN 108 1HB ASN 108 -2.035 6.135 -3.088 769 HB3 ASN 108 2HB ASN 108 -2.651 5.000 -4.286 770 HD21 ASN 108 1HD2 ASN 108 -3.902 6.359 -6.103 771 HD22 ASN 108 2HD2 ASN 108 -2.920 7.590 -6.814 772 H SER 109 H SER 109 -4.231 6.868 -0.936 773 HA SER 109 HA SER 109 -4.500 4.102 0.003 774 HB2 SER 109 1HB SER 109 -3.374 6.599 1.157 775 HB3 SER 109 2HB SER 109 -4.133 5.474 2.283 776 HG SER 109 HG SER 109 -1.783 5.216 1.742 777 HA PRO 110 HA PRO 110 -4.790 3.607 2.431 778 HB2 PRO 110 1HB PRO 110 -6.472 1.593 3.128 779 HB3 PRO 110 2HB PRO 110 -6.279 3.061 4.093 780 HG2 PRO 110 1HG PRO 110 -8.421 2.357 2.124 781 HG3 PRO 110 2HG PRO 110 -8.573 3.122 3.717 782 HD2 PRO 110 1HD PRO 110 -8.649 4.535 1.408 783 HD3 PRO 110 2HD PRO 110 -7.984 5.201 2.914 784 H PHE 111 H PHE 111 -3.747 1.750 1.729 785 HA PHE 111 HA PHE 111 -4.448 0.886 -0.955 786 HB2 PHE 111 1HB PHE 111 -2.038 0.413 0.798 787 HB3 PHE 111 2HB PHE 111 -2.245 -0.371 -0.765 788 HD1 PHE 111 1HD PHE 111 -2.626 1.175 -2.792 789 HD2 PHE 111 2HD PHE 111 -1.034 2.492 0.929 790 HE1 PHE 111 1HE PHE 111 -1.652 3.140 -3.908 791 HE2 PHE 111 2HE PHE 111 -0.058 4.459 -0.180 792 HZ PHE 111 HZ PHE 111 -0.367 4.785 -2.602 793 H LYS 112 H LYS 112 -4.428 -1.402 -1.534 794 HA LYS 112 HA LYS 112 -5.283 -3.159 0.668 795 HB2 LYS 112 1HB LYS 112 -6.664 -2.513 -1.886 796 HB3 LYS 112 2HB LYS 112 -6.738 -4.180 -1.329 797 HG2 LYS 112 1HG LYS 112 -7.928 -3.626 0.580 798 HG3 LYS 112 2HG LYS 112 -7.430 -1.933 0.519 799 HD2 LYS 112 1HD LYS 112 -8.803 -1.614 -1.491 800 HD3 LYS 112 2HD LYS 112 -9.312 -3.303 -1.405 801 HE2 LYS 112 1HE LYS 112 -9.739 -1.359 0.850 802 HE3 LYS 112 2HE LYS 112 -10.911 -1.577 -0.449 803 HZ1 LYS 112 1HZ LYS 112 -11.721 -3.275 0.692 804 HZ2 LYS 112 2HZ LYS 112 -10.488 -3.173 1.846 805 HZ3 LYS 112 3HZ LYS 112 -10.268 -4.110 0.455 806 H VAL 113 H VAL 113 -3.698 -4.609 0.856 807 HA VAL 113 HA VAL 113 -2.478 -5.699 -1.589 808 HB VAL 113 HB VAL 113 -1.476 -5.715 1.260 809 HG11 VAL 113 1HG1 VAL 113 -0.894 -7.509 -0.858 810 HG12 VAL 113 2HG1 VAL 113 0.522 -6.487 -0.606 811 HG13 VAL 113 3HG1 VAL 113 -0.148 -7.414 0.737 812 HG21 VAL 113 1HG2 VAL 113 -0.779 -4.150 -1.194 813 HG22 VAL 113 2HG2 VAL 113 -1.068 -3.579 0.450 814 HG23 VAL 113 3HG2 VAL 113 0.428 -4.430 0.062 815 H ALA 114 H ALA 114 -3.707 -7.395 -2.203 816 HA ALA 114 HA ALA 114 -4.736 -9.269 -0.236 817 HB1 ALA 114 1HB ALA 114 -5.550 -10.410 -2.437 818 HB2 ALA 114 2HB ALA 114 -6.324 -8.931 -1.867 819 HB3 ALA 114 3HB ALA 114 -5.132 -8.858 -3.165 820 H VAL 115 H VAL 115 -3.205 -10.583 0.577 821 HA VAL 115 HA VAL 115 -1.074 -11.630 -1.069 822 HB VAL 115 HB VAL 115 -1.812 -12.018 1.825 823 HG11 VAL 115 1HG1 VAL 115 0.244 -13.351 2.056 824 HG12 VAL 115 2HG1 VAL 115 -0.953 -14.141 1.029 825 HG13 VAL 115 3HG1 VAL 115 0.437 -13.332 0.304 826 HG21 VAL 115 1HG2 VAL 115 0.458 -10.661 0.386 827 HG22 VAL 115 2HG2 VAL 115 -0.767 -9.921 1.417 828 HG23 VAL 115 3HG2 VAL 115 0.459 -10.974 2.122 829 H THR 116 H THR 116 -0.689 -13.843 -1.482 830 HA THR 116 HA THR 116 -2.995 -15.633 -1.147 831 HB THR 116 HB THR 116 -3.137 -14.808 -3.427 832 HG1 THR 116 1HG THR 116 -3.599 -17.033 -3.086 833 HG21 THR 116 1HG2 THR 116 -0.293 -15.790 -3.698 834 HG22 THR 116 2HG2 THR 116 -0.841 -14.116 -3.779 835 HG23 THR 116 3HG2 THR 116 -1.310 -15.259 -5.037 836 H GLU 117 H GLU 117 -2.423 -17.939 -1.533 837 HA GLU 117 HA GLU 117 -0.209 -18.691 0.022 838 HB2 GLU 117 1HB GLU 117 -2.164 -20.139 -1.706 839 HB3 GLU 117 2HB GLU 117 -0.724 -20.996 -1.176 840 HG2 GLU 117 1HG GLU 117 -1.402 -20.162 1.182 841 HG3 GLU 117 2HG GLU 117 -2.985 -19.922 0.446 842 H GLY 118 H GLY 118 1.865 -18.561 -0.505 843 HA2 GLY 118 1HA GLY 118 2.630 -19.165 -3.294 844 HA3 GLY 118 2HA GLY 118 3.367 -17.849 -2.392 845 H CYS 119 H CYS 119 4.804 -18.328 -0.684 846 HA CYS 119 HA CYS 119 5.707 -21.123 -0.557 847 HB2 CYS 119 1HB CYS 119 7.375 -18.653 -1.000 848 HB3 CYS 119 2HB CYS 119 8.069 -20.138 -0.360 849 HG CYS 119 HG CYS 119 7.164 -21.630 -2.664 850 H GLN 120 H GLN 120 6.852 -21.690 1.387 851 HA GLN 120 HA GLN 120 6.535 -19.813 3.617 852 HB2 GLN 120 1HB GLN 120 5.470 -22.625 3.469 853 HB3 GLN 120 2HB GLN 120 5.781 -21.830 5.006 854 HG2 GLN 120 1HG GLN 120 4.096 -20.274 4.691 855 HG3 GLN 120 2HG GLN 120 4.059 -20.520 2.946 856 HE21 GLN 120 1HE2 GLN 120 1.865 -20.902 2.888 857 HE22 GLN 120 2HE2 GLN 120 1.151 -22.344 3.514 858 HA PRO 121 HA PRO 121 10.544 -21.117 4.834 859 HB2 PRO 121 1HB PRO 121 10.389 -20.863 7.532 860 HB3 PRO 121 2HB PRO 121 10.461 -19.475 6.439 861 HG2 PRO 121 1HG PRO 121 8.084 -20.715 7.771 862 HG3 PRO 121 2HG PRO 121 8.485 -18.999 7.568 863 HD2 PRO 121 1HD PRO 121 6.700 -20.277 5.982 864 HD3 PRO 121 2HD PRO 121 7.722 -18.950 5.393 865 H SER 122 H SER 122 11.570 -22.508 6.767 866 HA SER 122 HA SER 122 10.147 -25.086 6.716 867 HB2 SER 122 1HB SER 122 13.115 -24.643 7.103 868 HB3 SER 122 2HB SER 122 12.294 -26.180 6.831 869 HG SER 122 HG SER 122 12.549 -24.019 5.011 870 H SER 123 H SER 123 10.930 -26.554 8.601 871 HA SER 123 HA SER 123 10.694 -24.978 11.078 872 HB2 SER 123 1HB SER 123 8.776 -26.421 10.737 873 HB3 SER 123 2HB SER 123 9.824 -27.815 10.480 874 HG SER 123 HG SER 123 9.646 -26.312 12.883 875 H GLY 124 H GLY 124 12.503 -24.842 12.218 876 HA2 GLY 124 1HA GLY 124 13.982 -27.081 13.070 877 HA3 GLY 124 2HA GLY 124 14.828 -26.326 11.727 878 HA PRO 125 HA PRO 125 16.695 -24.043 15.090 879 HB2 PRO 125 1HB PRO 125 18.560 -22.814 13.546 880 HB3 PRO 125 2HB PRO 125 18.715 -24.489 14.090 881 HG2 PRO 125 1HG PRO 125 17.788 -23.434 11.446 882 HG3 PRO 125 2HG PRO 125 18.873 -24.793 11.790 883 HD2 PRO 125 1HD PRO 125 16.262 -25.138 11.164 884 HD3 PRO 125 2HD PRO 125 17.132 -26.229 12.261 885 H SER 126 H SER 126 14.687 -23.029 12.684 886 HA SER 126 HA SER 126 15.176 -20.206 12.757 887 HB2 SER 126 1HB SER 126 12.944 -21.914 11.669 888 HB3 SER 126 2HB SER 126 12.842 -20.153 11.665 889 HG SER 126 HG SER 126 15.169 -20.613 10.683 890 H SER 127 H SER 127 15.162 -20.730 15.313 891 HA SER 127 HA SER 127 14.120 -20.501 17.347 892 HB2 SER 127 1HB SER 127 14.249 -18.153 16.145 893 HB3 SER 127 2HB SER 127 12.492 -18.297 16.143 894 HG SER 127 HG SER 127 12.456 -18.095 18.262 895 H GLY 128 H GLY 128 12.895 -22.535 15.993 896 HA2 GLY 128 1HA GLY 128 10.193 -22.350 17.065 897 HA3 GLY 128 2HA GLY 128 10.317 -22.643 15.337 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -17.566 -8.229 14.209 2 HA2 GLY 1 1HA GLY 1 -16.141 -6.613 15.124 3 HA3 GLY 1 2HA GLY 1 -15.174 -7.186 13.774 4 H SER 2 H SER 2 -14.193 -5.065 13.806 5 HA SER 2 HA SER 2 -15.795 -3.127 12.282 6 HB2 SER 2 1HB SER 2 -14.945 -1.281 13.566 7 HB3 SER 2 2HB SER 2 -15.605 -2.456 14.703 8 HG SER 2 HG SER 2 -13.668 -2.012 15.547 9 H SER 3 H SER 3 -14.187 -1.300 11.495 10 HA SER 3 HA SER 3 -11.604 -2.415 10.724 11 HB2 SER 3 1HB SER 3 -11.930 -2.137 8.380 12 HB3 SER 3 2HB SER 3 -13.338 -3.023 8.965 13 HG SER 3 HG SER 3 -14.210 -0.712 9.175 14 H GLY 4 H GLY 4 -10.036 -0.890 10.336 15 HA2 GLY 4 1HA GLY 4 -9.295 1.321 9.802 16 HA3 GLY 4 2HA GLY 4 -10.853 1.934 10.336 17 H SER 5 H SER 5 -8.056 2.643 11.094 18 HA SER 5 HA SER 5 -8.381 2.305 14.001 19 HB2 SER 5 1HB SER 5 -5.935 1.946 12.308 20 HB3 SER 5 2HB SER 5 -5.762 2.523 13.965 21 HG SER 5 HG SER 5 -7.440 0.370 13.718 22 H SER 6 H SER 6 -7.639 4.041 15.303 23 HA SER 6 HA SER 6 -6.884 6.513 13.954 24 HB2 SER 6 1HB SER 6 -9.318 6.306 15.743 25 HB3 SER 6 2HB SER 6 -8.650 7.805 15.098 26 HG SER 6 HG SER 6 -10.120 7.331 13.613 27 H GLY 7 H GLY 7 -6.199 8.204 15.480 28 HA2 GLY 7 1HA GLY 7 -5.917 8.273 18.116 29 HA3 GLY 7 2HA GLY 7 -4.786 6.986 17.724 30 H HIS 8 H HIS 8 -5.229 10.326 18.004 31 HA HIS 8 HA HIS 8 -2.649 10.827 16.670 32 HB2 HIS 8 1HB HIS 8 -3.379 12.895 15.936 33 HB3 HIS 8 2HB HIS 8 -4.866 11.957 15.832 34 HD1 HIS 8 1HD HIS 8 -3.892 15.148 16.783 35 HD2 HIS 8 2HD HIS 8 -6.219 12.247 18.636 36 HE1 HIS 8 1HE HIS 8 -5.299 16.385 18.460 37 H PHE 9 H PHE 9 -1.080 11.944 17.759 38 HA PHE 9 HA PHE 9 -0.941 11.766 20.519 39 HB2 PHE 9 1HB PHE 9 0.534 13.628 18.648 40 HB3 PHE 9 2HB PHE 9 0.964 13.380 20.337 41 HD1 PHE 9 1HD PHE 9 1.524 10.989 21.066 42 HD2 PHE 9 2HD PHE 9 1.398 12.245 17.001 43 HE1 PHE 9 1HE PHE 9 2.913 9.060 20.431 44 HE2 PHE 9 2HE PHE 9 2.787 10.318 16.359 45 HZ PHE 9 HZ PHE 9 3.546 8.722 18.075 46 HA PRO 10 HA PRO 10 -3.301 15.106 22.122 47 HB2 PRO 10 1HB PRO 10 -1.944 15.596 24.422 48 HB3 PRO 10 2HB PRO 10 -2.965 14.171 24.194 49 HG2 PRO 10 1HG PRO 10 0.009 14.425 23.971 50 HG3 PRO 10 2HG PRO 10 -0.950 13.144 24.734 51 HD2 PRO 10 1HD PRO 10 0.137 12.879 22.268 52 HD3 PRO 10 2HD PRO 10 -1.396 12.109 22.723 53 H ALA 11 H ALA 11 -3.235 17.031 21.135 54 HA ALA 11 HA ALA 11 -1.333 19.005 21.927 55 HB1 ALA 11 1HB ALA 11 -1.234 18.379 18.997 56 HB2 ALA 11 2HB ALA 11 -0.123 19.348 19.965 57 HB3 ALA 11 3HB ALA 11 -0.142 17.594 20.139 58 H ARG 12 H ARG 12 -2.286 20.942 21.851 59 HA ARG 12 HA ARG 12 -4.822 21.166 20.407 60 HB2 ARG 12 1HB ARG 12 -3.608 22.879 22.582 61 HB3 ARG 12 2HB ARG 12 -5.157 23.197 21.814 62 HG2 ARG 12 1HG ARG 12 -4.635 20.564 23.129 63 HG3 ARG 12 2HG ARG 12 -5.096 21.974 24.085 64 HD2 ARG 12 1HD ARG 12 -6.701 21.298 21.671 65 HD3 ARG 12 2HD ARG 12 -6.903 20.313 23.119 66 HE ARG 12 HE ARG 12 -7.129 22.840 24.054 67 HH11 ARG 12 1HH1 ARG 12 -8.669 21.101 21.461 68 HH12 ARG 12 2HH1 ARG 12 -10.153 21.988 21.573 69 HH21 ARG 12 1HH2 ARG 12 -9.078 24.015 24.211 70 HH22 ARG 12 2HH2 ARG 12 -10.384 23.646 23.137 71 H VAL 13 H VAL 13 -2.408 21.273 18.907 72 HA VAL 13 HA VAL 13 -2.162 24.110 18.196 73 HB VAL 13 HB VAL 13 -0.464 21.765 17.330 74 HG11 VAL 13 1HG1 VAL 13 0.454 24.566 17.047 75 HG12 VAL 13 2HG1 VAL 13 0.770 23.158 16.031 76 HG13 VAL 13 3HG1 VAL 13 -0.774 24.004 15.913 77 HG21 VAL 13 1HG2 VAL 13 0.474 23.981 19.100 78 HG22 VAL 13 2HG2 VAL 13 -0.432 22.634 19.791 79 HG23 VAL 13 3HG2 VAL 13 1.086 22.334 18.943 80 H LYS 14 H LYS 14 -2.836 24.896 16.280 81 HA LYS 14 HA LYS 14 -4.476 23.179 14.620 82 HB2 LYS 14 1HB LYS 14 -3.925 26.145 14.620 83 HB3 LYS 14 2HB LYS 14 -4.896 25.364 13.379 84 HG2 LYS 14 1HG LYS 14 -6.532 26.044 14.811 85 HG3 LYS 14 2HG LYS 14 -6.213 24.431 15.452 86 HD2 LYS 14 1HD LYS 14 -6.206 25.729 17.368 87 HD3 LYS 14 2HD LYS 14 -4.489 25.657 16.963 88 HE2 LYS 14 1HE LYS 14 -4.555 27.839 15.996 89 HE3 LYS 14 2HE LYS 14 -6.313 27.897 16.107 90 HZ1 LYS 14 1HZ LYS 14 -4.858 27.486 18.596 91 HZ2 LYS 14 2HZ LYS 14 -6.251 28.396 18.295 92 HZ3 LYS 14 3HZ LYS 14 -4.731 29.021 17.894 93 H VAL 15 H VAL 15 -3.743 22.145 12.894 94 HA VAL 15 HA VAL 15 -1.376 23.225 11.505 95 HB VAL 15 HB VAL 15 -2.169 20.341 11.916 96 HG11 VAL 15 1HG1 VAL 15 -1.364 20.498 9.684 97 HG12 VAL 15 2HG1 VAL 15 -0.032 21.549 10.171 98 HG13 VAL 15 3HG1 VAL 15 -0.047 19.856 10.664 99 HG21 VAL 15 1HG2 VAL 15 0.536 21.222 12.594 100 HG22 VAL 15 2HG2 VAL 15 -0.729 21.990 13.554 101 HG23 VAL 15 3HG2 VAL 15 -0.599 20.232 13.512 102 H GLU 16 H GLU 16 -1.467 23.462 9.333 103 HA GLU 16 HA GLU 16 -3.942 22.585 7.993 104 HB2 GLU 16 1HB GLU 16 -4.152 24.594 6.918 105 HB3 GLU 16 2HB GLU 16 -3.374 25.144 8.396 106 HG2 GLU 16 1HG GLU 16 -2.069 26.214 6.891 107 HG3 GLU 16 2HG GLU 16 -1.187 24.690 6.980 108 HA PRO 17 HA PRO 17 -1.492 20.364 5.103 109 HB2 PRO 17 1HB PRO 17 -3.071 20.510 2.900 110 HB3 PRO 17 2HB PRO 17 -3.462 19.500 4.297 111 HG2 PRO 17 1HG PRO 17 -4.504 22.210 3.567 112 HG3 PRO 17 2HG PRO 17 -5.386 20.802 4.186 113 HD2 PRO 17 1HD PRO 17 -4.661 22.877 5.767 114 HD3 PRO 17 2HD PRO 17 -4.758 21.208 6.366 115 H ALA 18 H ALA 18 0.332 21.070 4.205 116 HA ALA 18 HA ALA 18 0.226 23.469 2.494 117 HB1 ALA 18 1HB ALA 18 2.595 22.468 4.068 118 HB2 ALA 18 2HB ALA 18 2.494 23.964 3.137 119 HB3 ALA 18 3HB ALA 18 1.512 23.760 4.589 120 H VAL 19 H VAL 19 0.045 20.407 2.021 121 HA VAL 19 HA VAL 19 1.896 20.413 -0.260 122 HB VAL 19 HB VAL 19 2.785 19.020 1.665 123 HG11 VAL 19 1HG1 VAL 19 0.875 16.884 0.884 124 HG12 VAL 19 2HG1 VAL 19 1.725 17.142 2.409 125 HG13 VAL 19 3HG1 VAL 19 0.316 18.125 2.005 126 HG21 VAL 19 1HG2 VAL 19 3.518 17.221 0.214 127 HG22 VAL 19 2HG2 VAL 19 2.211 17.568 -0.917 128 HG23 VAL 19 3HG2 VAL 19 3.502 18.743 -0.675 129 H ASP 20 H ASP 20 1.291 18.905 -1.966 130 HA ASP 20 HA ASP 20 -1.604 18.783 -2.250 131 HB2 ASP 20 1HB ASP 20 -0.930 17.987 -4.615 132 HB3 ASP 20 2HB ASP 20 -0.614 19.664 -4.179 133 H THR 21 H THR 21 1.062 16.531 -3.000 134 HA THR 21 HA THR 21 1.136 14.249 -3.043 135 HB THR 21 HB THR 21 0.165 13.128 -1.001 136 HG1 THR 21 1HG THR 21 -0.558 14.666 0.636 137 HG21 THR 21 1HG2 THR 21 2.216 13.569 -0.247 138 HG22 THR 21 2HG2 THR 21 1.595 15.074 0.432 139 HG23 THR 21 3HG2 THR 21 2.289 15.057 -1.190 140 H SER 22 H SER 22 -0.904 15.341 -4.665 141 HA SER 22 HA SER 22 -3.087 13.392 -4.356 142 HB2 SER 22 1HB SER 22 -2.957 16.163 -5.424 143 HB3 SER 22 2HB SER 22 -4.055 15.047 -6.235 144 HG SER 22 HG SER 22 -5.296 15.770 -4.645 145 H ARG 23 H ARG 23 -0.265 13.836 -5.992 146 HA ARG 23 HA ARG 23 -1.211 12.226 -8.271 147 HB2 ARG 23 1HB ARG 23 0.992 14.298 -8.299 148 HB3 ARG 23 2HB ARG 23 0.518 13.287 -9.657 149 HG2 ARG 23 1HG ARG 23 -1.401 14.467 -10.048 150 HG3 ARG 23 2HG ARG 23 -1.546 14.996 -8.371 151 HD2 ARG 23 1HD ARG 23 0.259 16.565 -8.661 152 HD3 ARG 23 2HD ARG 23 0.569 15.963 -10.289 153 HE ARG 23 HE ARG 23 -2.000 16.770 -10.429 154 HH11 ARG 23 1HH1 ARG 23 0.910 18.310 -9.300 155 HH12 ARG 23 2HH1 ARG 23 0.384 19.906 -9.718 156 HH21 ARG 23 1HH2 ARG 23 -2.705 18.867 -10.985 157 HH22 ARG 23 2HH2 ARG 23 -1.673 20.222 -10.676 158 H ILE 24 H ILE 24 -0.063 11.483 -5.626 159 HA ILE 24 HA ILE 24 2.602 10.545 -6.124 160 HB ILE 24 HB ILE 24 0.637 10.116 -3.894 161 HG12 ILE 24 1HG1 ILE 24 3.393 11.355 -4.057 162 HG13 ILE 24 2HG1 ILE 24 1.867 12.221 -3.911 163 HG21 ILE 24 1HG2 ILE 24 1.546 8.106 -3.531 164 HG22 ILE 24 2HG2 ILE 24 2.881 8.409 -4.643 165 HG23 ILE 24 3HG2 ILE 24 2.965 8.999 -2.983 166 HD11 ILE 24 1HD1 ILE 24 1.927 10.431 -1.767 167 HD12 ILE 24 2HD1 ILE 24 3.544 11.130 -1.864 168 HD13 ILE 24 3HD1 ILE 24 2.136 12.182 -1.720 169 H LYS 25 H LYS 25 3.255 8.625 -6.888 170 HA LYS 25 HA LYS 25 1.180 6.615 -7.473 171 HB2 LYS 25 1HB LYS 25 3.510 7.610 -9.035 172 HB3 LYS 25 2HB LYS 25 3.106 5.905 -9.182 173 HG2 LYS 25 1HG LYS 25 1.065 8.070 -9.576 174 HG3 LYS 25 2HG LYS 25 2.095 7.487 -10.886 175 HD2 LYS 25 1HD LYS 25 1.162 5.338 -10.813 176 HD3 LYS 25 2HD LYS 25 0.466 5.600 -9.212 177 HE2 LYS 25 1HE LYS 25 -1.277 5.660 -10.891 178 HE3 LYS 25 2HE LYS 25 -1.073 7.260 -10.179 179 HZ1 LYS 25 1HZ LYS 25 -0.049 6.350 -12.812 180 HZ2 LYS 25 2HZ LYS 25 0.307 7.850 -12.118 181 HZ3 LYS 25 3HZ LYS 25 -1.287 7.470 -12.539 182 H VAL 26 H VAL 26 1.942 4.356 -7.516 183 HA VAL 26 HA VAL 26 4.334 3.792 -5.951 184 HB VAL 26 HB VAL 26 3.044 2.235 -4.457 185 HG11 VAL 26 1HG1 VAL 26 2.425 3.947 -2.885 186 HG12 VAL 26 2HG1 VAL 26 3.875 4.464 -3.747 187 HG13 VAL 26 3HG1 VAL 26 2.304 5.144 -4.174 188 HG21 VAL 26 1HG2 VAL 26 0.885 1.881 -4.834 189 HG22 VAL 26 2HG2 VAL 26 0.550 3.578 -4.492 190 HG23 VAL 26 3HG2 VAL 26 0.904 3.064 -6.142 191 H PHE 27 H PHE 27 5.378 2.154 -6.857 192 HA PHE 27 HA PHE 27 3.821 0.098 -8.278 193 HB2 PHE 27 1HB PHE 27 5.768 -0.041 -9.887 194 HB3 PHE 27 2HB PHE 27 4.800 1.425 -10.000 195 HD1 PHE 27 2HD PHE 27 7.976 0.033 -8.736 196 HD2 PHE 27 1HD PHE 27 5.748 3.549 -9.625 197 HE1 PHE 27 2HE PHE 27 10.007 1.390 -8.441 198 HE2 PHE 27 1HE PHE 27 7.776 4.912 -9.333 199 HZ PHE 27 HZ PHE 27 9.909 3.833 -8.739 200 H GLY 28 H GLY 28 4.445 -1.997 -7.989 201 HA2 GLY 28 1HA GLY 28 6.588 -3.345 -7.461 202 HA3 GLY 28 2HA GLY 28 6.533 -2.430 -5.962 203 HA PRO 29 HA PRO 29 3.956 -6.419 -5.789 204 HB2 PRO 29 1HB PRO 29 5.606 -7.864 -4.188 205 HB3 PRO 29 2HB PRO 29 5.702 -7.904 -5.952 206 HG2 PRO 29 1HG PRO 29 7.367 -6.364 -3.999 207 HG3 PRO 29 2HG PRO 29 7.877 -7.259 -5.442 208 HD2 PRO 29 1HD PRO 29 7.594 -4.567 -5.423 209 HD3 PRO 29 2HD PRO 29 7.280 -5.550 -6.868 210 H GLY 30 H GLY 30 5.984 -4.864 -3.316 211 HA2 GLY 30 1HA GLY 30 4.623 -5.609 -1.030 212 HA3 GLY 30 2HA GLY 30 5.458 -4.074 -1.223 213 H ILE 31 H ILE 31 3.504 -3.598 -3.567 214 HA ILE 31 HA ILE 31 1.186 -2.832 -1.916 215 HB ILE 31 HB ILE 31 2.739 -0.919 -2.585 216 HG12 ILE 31 1HG1 ILE 31 0.763 0.529 -3.278 217 HG13 ILE 31 2HG1 ILE 31 -0.196 -0.947 -3.290 218 HG21 ILE 31 1HG2 ILE 31 2.822 -1.977 -4.996 219 HG22 ILE 31 2HG2 ILE 31 1.404 -0.959 -5.242 220 HG23 ILE 31 3HG2 ILE 31 2.936 -0.234 -4.758 221 HD11 ILE 31 1HD1 ILE 31 1.294 -0.629 -0.828 222 HD12 ILE 31 2HD1 ILE 31 0.209 0.725 -1.145 223 HD13 ILE 31 3HD1 ILE 31 -0.426 -0.919 -1.085 224 H GLU 32 H GLU 32 2.345 -4.375 -4.709 225 HA GLU 32 HA GLU 32 -0.194 -4.210 -6.128 226 HB2 GLU 32 1HB GLU 32 2.453 -5.487 -6.812 227 HB3 GLU 32 2HB GLU 32 1.020 -5.653 -7.817 228 HG2 GLU 32 1HG GLU 32 1.892 -2.918 -7.066 229 HG3 GLU 32 2HG GLU 32 2.832 -3.797 -8.270 230 H GLY 33 H GLY 33 1.889 -6.674 -4.638 231 HA2 GLY 33 1HA GLY 33 0.953 -8.446 -3.319 232 HA3 GLY 33 2HA GLY 33 -0.506 -8.349 -4.294 233 H LYS 34 H LYS 34 2.924 -8.620 -5.199 234 HA LYS 34 HA LYS 34 2.208 -10.880 -6.922 235 HB2 LYS 34 1HB LYS 34 4.882 -9.507 -6.893 236 HB3 LYS 34 2HB LYS 34 4.122 -10.406 -8.200 237 HG2 LYS 34 1HG LYS 34 3.181 -7.740 -7.163 238 HG3 LYS 34 2HG LYS 34 4.168 -7.983 -8.606 239 HD2 LYS 34 1HD LYS 34 1.593 -9.465 -8.351 240 HD3 LYS 34 2HD LYS 34 1.554 -7.753 -8.778 241 HE2 LYS 34 1HE LYS 34 2.765 -8.105 -10.754 242 HE3 LYS 34 2HE LYS 34 3.314 -9.698 -10.237 243 HZ1 LYS 34 1HZ LYS 34 1.611 -10.542 -11.345 244 HZ2 LYS 34 2HZ LYS 34 0.988 -9.008 -11.688 245 HZ3 LYS 34 3HZ LYS 34 0.551 -9.797 -10.257 246 H ASP 35 H ASP 35 5.140 -10.034 -5.080 247 HA ASP 35 HA ASP 35 5.340 -12.857 -4.280 248 HB2 ASP 35 1HB ASP 35 7.601 -10.910 -4.005 249 HB3 ASP 35 2HB ASP 35 7.656 -12.654 -4.246 250 H VAL 36 H VAL 36 3.697 -10.742 -2.990 251 HA VAL 36 HA VAL 36 5.010 -10.170 -0.484 252 HB VAL 36 HB VAL 36 2.114 -9.787 -1.253 253 HG11 VAL 36 1HG1 VAL 36 2.503 -7.956 0.621 254 HG12 VAL 36 2HG1 VAL 36 2.022 -9.607 1.019 255 HG13 VAL 36 3HG1 VAL 36 3.712 -9.121 1.160 256 HG21 VAL 36 1HG2 VAL 36 3.469 -7.328 -1.085 257 HG22 VAL 36 2HG2 VAL 36 4.480 -8.391 -2.064 258 HG23 VAL 36 3HG2 VAL 36 2.803 -8.099 -2.524 259 H PHE 37 H PHE 37 4.212 -12.988 -1.535 260 HA PHE 37 HA PHE 37 2.284 -14.236 -0.111 261 HB2 PHE 37 1HB PHE 37 5.050 -15.422 -0.257 262 HB3 PHE 37 2HB PHE 37 3.501 -16.256 -0.317 263 HD1 PHE 37 1HD PHE 37 2.009 -14.805 -2.316 264 HD2 PHE 37 2HD PHE 37 6.139 -15.833 -2.242 265 HE1 PHE 37 1HE PHE 37 2.066 -14.737 -4.775 266 HE2 PHE 37 2HE PHE 37 6.203 -15.766 -4.701 267 HZ PHE 37 HZ PHE 37 4.166 -15.217 -5.971 268 H ARG 38 H ARG 38 2.252 -15.444 1.891 269 HA ARG 38 HA ARG 38 2.938 -13.921 4.123 270 HB2 ARG 38 1HB ARG 38 1.191 -15.752 3.971 271 HB3 ARG 38 2HB ARG 38 2.506 -16.906 4.149 272 HG2 ARG 38 1HG ARG 38 3.051 -16.006 6.324 273 HG3 ARG 38 2HG ARG 38 1.818 -14.757 6.141 274 HD2 ARG 38 1HD ARG 38 0.065 -16.325 6.260 275 HD3 ARG 38 2HD ARG 38 1.159 -17.684 6.008 276 HE ARG 38 HE ARG 38 1.725 -16.198 8.396 277 HH11 ARG 38 1HH1 ARG 38 -0.214 -18.734 7.008 278 HH12 ARG 38 2HH1 ARG 38 -0.491 -19.529 8.522 279 HH21 ARG 38 1HH2 ARG 38 1.369 -17.236 10.395 280 HH22 ARG 38 2HH2 ARG 38 0.410 -18.676 10.448 281 H GLU 39 H GLU 39 4.628 -13.909 5.529 282 HA GLU 39 HA GLU 39 6.739 -14.211 6.321 283 HB2 GLU 39 1HB GLU 39 6.054 -16.944 5.314 284 HB3 GLU 39 2HB GLU 39 7.700 -16.611 5.835 285 HG2 GLU 39 1HG GLU 39 5.471 -15.851 7.643 286 HG3 GLU 39 2HG GLU 39 5.888 -17.557 7.490 287 H ALA 40 H ALA 40 6.306 -13.126 3.659 288 HA ALA 40 HA ALA 40 8.899 -13.821 2.440 289 HB1 ALA 40 1HB ALA 40 6.746 -14.435 1.166 290 HB2 ALA 40 2HB ALA 40 6.620 -12.704 0.849 291 HB3 ALA 40 3HB ALA 40 8.033 -13.603 0.294 292 H THR 41 H THR 41 10.284 -12.190 2.013 293 HA THR 41 HA THR 41 9.734 -9.609 3.140 294 HB THR 41 HB THR 41 12.135 -10.526 1.545 295 HG1 THR 41 1HG THR 41 11.444 -11.457 3.785 296 HG21 THR 41 1HG2 THR 41 12.828 -8.412 1.651 297 HG22 THR 41 2HG2 THR 41 12.776 -8.502 3.411 298 HG23 THR 41 3HG2 THR 41 11.362 -7.950 2.514 299 H THR 42 H THR 42 8.284 -8.418 2.021 300 HA THR 42 HA THR 42 8.875 -7.905 -0.822 301 HB THR 42 HB THR 42 6.762 -9.107 -0.601 302 HG1 THR 42 1HG THR 42 7.112 -7.072 -2.010 303 HG21 THR 42 1HG2 THR 42 6.324 -7.134 1.536 304 HG22 THR 42 2HG2 THR 42 5.686 -8.768 1.353 305 HG23 THR 42 3HG2 THR 42 4.931 -7.425 0.496 306 H ASP 43 H ASP 43 8.727 -5.792 -1.568 307 HA ASP 43 HA ASP 43 8.012 -3.669 0.280 308 HB2 ASP 43 1HB ASP 43 10.144 -2.496 0.061 309 HB3 ASP 43 2HB ASP 43 10.388 -4.085 0.781 310 H PHE 44 H PHE 44 7.522 -1.718 -0.730 311 HA PHE 44 HA PHE 44 7.388 -1.860 -3.669 312 HB2 PHE 44 1HB PHE 44 5.449 -0.307 -3.474 313 HB3 PHE 44 2HB PHE 44 5.174 -1.864 -2.699 314 HD1 PHE 44 2HD PHE 44 5.394 -2.026 -0.200 315 HD2 PHE 44 1HD PHE 44 5.297 1.693 -2.268 316 HE1 PHE 44 2HE PHE 44 4.811 -0.879 1.897 317 HE2 PHE 44 1HE PHE 44 4.715 2.846 -0.173 318 HZ PHE 44 HZ PHE 44 4.470 1.560 1.912 319 H THR 45 H THR 45 7.113 0.477 -4.606 320 HA THR 45 HA THR 45 9.068 2.254 -3.304 321 HB THR 45 HB THR 45 8.868 1.850 -6.291 322 HG1 THR 45 1HG THR 45 10.442 0.391 -6.126 323 HG21 THR 45 1HG2 THR 45 10.131 3.814 -4.642 324 HG22 THR 45 2HG2 THR 45 10.128 3.683 -6.401 325 HG23 THR 45 3HG2 THR 45 11.372 2.864 -5.457 326 H VAL 46 H VAL 46 8.428 4.303 -3.069 327 HA VAL 46 HA VAL 46 5.925 5.120 -4.369 328 HB VAL 46 HB VAL 46 7.322 6.294 -1.961 329 HG11 VAL 46 1HG1 VAL 46 4.536 6.954 -2.834 330 HG12 VAL 46 2HG1 VAL 46 5.613 7.853 -1.764 331 HG13 VAL 46 3HG1 VAL 46 5.917 7.823 -3.501 332 HG21 VAL 46 1HG2 VAL 46 6.305 4.693 -0.805 333 HG22 VAL 46 2HG2 VAL 46 4.753 5.353 -1.319 334 HG23 VAL 46 3HG2 VAL 46 5.526 4.080 -2.264 335 H ASP 47 H ASP 47 6.102 6.371 -6.096 336 HA ASP 47 HA ASP 47 8.537 7.887 -6.572 337 HB2 ASP 47 1HB ASP 47 7.096 6.476 -8.287 338 HB3 ASP 47 2HB ASP 47 6.198 7.985 -8.427 339 H SER 48 H SER 48 8.757 9.991 -6.197 340 HA SER 48 HA SER 48 6.348 11.660 -5.984 341 HB2 SER 48 1HB SER 48 7.533 12.854 -4.060 342 HB3 SER 48 2HB SER 48 6.873 11.258 -3.705 343 HG SER 48 HG SER 48 8.845 10.459 -3.533 344 H ARG 49 H ARG 49 6.543 13.730 -6.741 345 HA ARG 49 HA ARG 49 9.168 14.487 -7.846 346 HB2 ARG 49 1HB ARG 49 6.515 14.335 -9.130 347 HB3 ARG 49 2HB ARG 49 7.434 15.794 -9.475 348 HG2 ARG 49 1HG ARG 49 9.147 14.619 -10.518 349 HG3 ARG 49 2HG ARG 49 8.680 13.090 -9.770 350 HD2 ARG 49 1HD ARG 49 6.868 12.802 -11.205 351 HD3 ARG 49 2HD ARG 49 6.826 14.509 -11.646 352 HE ARG 49 HE ARG 49 8.265 12.479 -12.966 353 HH11 ARG 49 1HH1 ARG 49 8.589 15.782 -11.915 354 HH12 ARG 49 2HH1 ARG 49 9.716 16.205 -13.161 355 HH21 ARG 49 1HH2 ARG 49 9.748 13.024 -14.611 356 HH22 ARG 49 2HH2 ARG 49 10.374 14.636 -14.695 357 HA PRO 50 HA PRO 50 7.058 18.666 -6.836 358 HB2 PRO 50 1HB PRO 50 4.430 18.670 -6.155 359 HB3 PRO 50 2HB PRO 50 4.989 18.768 -7.829 360 HG2 PRO 50 1HG PRO 50 3.994 16.394 -6.300 361 HG3 PRO 50 2HG PRO 50 3.630 16.885 -7.965 362 HD2 PRO 50 1HD PRO 50 5.426 14.946 -7.378 363 HD3 PRO 50 2HD PRO 50 5.599 16.013 -8.786 364 H LEU 51 H LEU 51 7.040 15.917 -5.011 365 HA LEU 51 HA LEU 51 6.421 17.310 -2.501 366 HB2 LEU 51 1HB LEU 51 6.927 14.368 -2.865 367 HB3 LEU 51 2HB LEU 51 6.192 15.176 -1.481 368 HG LEU 51 HG LEU 51 4.986 14.682 -4.195 369 HD11 LEU 51 1HD1 LEU 51 3.983 13.963 -1.450 370 HD12 LEU 51 2HD1 LEU 51 4.951 12.882 -2.452 371 HD13 LEU 51 3HD1 LEU 51 3.364 13.414 -3.007 372 HD21 LEU 51 1HD2 LEU 51 3.701 16.241 -1.967 373 HD22 LEU 51 2HD2 LEU 51 3.130 16.023 -3.622 374 HD23 LEU 51 3HD2 LEU 51 4.556 17.013 -3.303 375 H THR 52 H THR 52 8.916 15.358 -4.081 376 HA THR 52 HA THR 52 10.954 16.699 -2.511 377 HB THR 52 HB THR 52 10.239 14.651 -1.188 378 HG1 THR 52 1HG THR 52 12.204 14.859 -0.453 379 HG21 THR 52 1HG2 THR 52 10.152 13.304 -3.446 380 HG22 THR 52 2HG2 THR 52 10.637 12.513 -1.945 381 HG23 THR 52 3HG2 THR 52 11.861 13.035 -3.102 382 H GLN 53 H GLN 53 13.170 16.080 -3.248 383 HA GLN 53 HA GLN 53 13.200 15.084 -6.011 384 HB2 GLN 53 1HB GLN 53 14.585 17.578 -5.012 385 HB3 GLN 53 2HB GLN 53 14.829 16.862 -6.599 386 HG2 GLN 53 1HG GLN 53 13.300 18.446 -7.135 387 HG3 GLN 53 2HG GLN 53 12.210 17.121 -6.735 388 HE21 GLN 53 1HE2 GLN 53 10.586 17.661 -5.482 389 HE22 GLN 53 2HE2 GLN 53 10.571 18.936 -4.318 390 H VAL 54 H VAL 54 14.917 15.675 -3.012 391 HA VAL 54 HA VAL 54 16.989 13.764 -3.879 392 HB VAL 54 HB VAL 54 18.538 14.816 -2.332 393 HG11 VAL 54 1HG1 VAL 54 17.328 16.192 -4.584 394 HG12 VAL 54 2HG1 VAL 54 18.091 17.306 -3.447 395 HG13 VAL 54 3HG1 VAL 54 19.029 15.993 -4.162 396 HG21 VAL 54 1HG2 VAL 54 16.245 15.776 -1.088 397 HG22 VAL 54 2HG2 VAL 54 17.914 16.148 -0.658 398 HG23 VAL 54 3HG2 VAL 54 17.026 17.212 -1.749 399 H GLY 55 H GLY 55 14.455 13.034 -2.734 400 HA2 GLY 55 1HA GLY 55 13.746 11.425 -1.240 401 HA3 GLY 55 2HA GLY 55 15.400 11.308 -0.656 402 H GLY 56 H GLY 56 13.075 11.220 0.977 403 HA2 GLY 56 1HA GLY 56 13.713 13.461 2.742 404 HA3 GLY 56 2HA GLY 56 12.039 13.300 2.233 405 H ASP 57 H ASP 57 12.352 13.245 4.834 406 HA ASP 57 HA ASP 57 12.118 10.395 5.538 407 HB2 ASP 57 1HB ASP 57 14.221 11.404 6.424 408 HB3 ASP 57 2HB ASP 57 13.245 12.561 7.325 409 H HIS 58 H HIS 58 9.991 12.065 4.724 410 HA HIS 58 HA HIS 58 8.513 12.396 7.252 411 HB2 HIS 58 1HB HIS 58 8.553 14.010 4.746 412 HB3 HIS 58 2HB HIS 58 7.028 13.880 5.616 413 HD1 HIS 58 1HD HIS 58 6.702 15.480 7.486 414 HD2 HIS 58 2HD HIS 58 10.706 15.079 6.455 415 HE1 HIS 58 1HE HIS 58 7.927 17.184 8.873 416 H ILE 59 H ILE 59 8.841 9.966 5.629 417 HA ILE 59 HA ILE 59 6.095 9.573 4.656 418 HB ILE 59 HB ILE 59 8.634 8.040 4.123 419 HG12 ILE 59 1HG1 ILE 59 8.336 10.042 2.772 420 HG13 ILE 59 2HG1 ILE 59 8.104 8.613 1.771 421 HG21 ILE 59 1HG2 ILE 59 6.778 6.470 4.479 422 HG22 ILE 59 2HG2 ILE 59 5.842 7.316 3.247 423 HG23 ILE 59 3HG2 ILE 59 7.329 6.478 2.803 424 HD11 ILE 59 1HD1 ILE 59 5.567 9.222 2.701 425 HD12 ILE 59 2HD1 ILE 59 6.297 10.785 2.331 426 HD13 ILE 59 3HD1 ILE 59 6.212 9.535 1.091 427 H LYS 60 H LYS 60 4.774 8.030 5.507 428 HA LYS 60 HA LYS 60 5.820 6.245 7.572 429 HB2 LYS 60 1HB LYS 60 4.983 8.344 8.670 430 HB3 LYS 60 2HB LYS 60 3.385 7.974 8.035 431 HG2 LYS 60 1HG LYS 60 3.371 7.209 10.248 432 HG3 LYS 60 2HG LYS 60 3.571 5.761 9.260 433 HD2 LYS 60 1HD LYS 60 6.079 6.067 9.629 434 HD3 LYS 60 2HD LYS 60 5.634 7.214 10.894 435 HE2 LYS 60 1HE LYS 60 5.996 5.067 11.900 436 HE3 LYS 60 2HE LYS 60 4.271 5.428 11.954 437 HZ1 LYS 60 1HZ LYS 60 4.560 4.107 9.605 438 HZ2 LYS 60 2HZ LYS 60 4.023 3.420 11.054 439 HZ3 LYS 60 3HZ LYS 60 5.651 3.297 10.613 440 H ALA 61 H ALA 61 4.766 4.309 7.716 441 HA ALA 61 HA ALA 61 2.340 3.953 6.093 442 HB1 ALA 61 1HB ALA 61 3.973 3.108 4.647 443 HB2 ALA 61 2HB ALA 61 4.872 2.347 5.961 444 HB3 ALA 61 3HB ALA 61 3.320 1.680 5.451 445 H HIS 62 H HIS 62 1.092 2.038 6.656 446 HA HIS 62 HA HIS 62 1.701 0.716 9.159 447 HB2 HIS 62 1HB HIS 62 0.635 2.619 10.096 448 HB3 HIS 62 2HB HIS 62 -0.618 2.620 8.858 449 HD1 HIS 62 1HD HIS 62 -2.671 2.272 10.240 450 HD2 HIS 62 2HD HIS 62 0.317 -0.476 11.123 451 HE1 HIS 62 1HE HIS 62 -3.727 0.611 11.805 452 H ILE 63 H ILE 63 1.357 -1.345 8.684 453 HA ILE 63 HA ILE 63 -0.608 -2.092 6.680 454 HB ILE 63 HB ILE 63 1.243 -3.877 8.262 455 HG12 ILE 63 1HG1 ILE 63 1.717 -3.165 5.402 456 HG13 ILE 63 2HG1 ILE 63 2.163 -1.992 6.637 457 HG21 ILE 63 1HG2 ILE 63 0.666 -5.009 5.784 458 HG22 ILE 63 2HG2 ILE 63 0.051 -5.519 7.355 459 HG23 ILE 63 3HG2 ILE 63 -0.875 -4.385 6.371 460 HD11 ILE 63 1HD1 ILE 63 4.035 -3.423 5.973 461 HD12 ILE 63 2HD1 ILE 63 3.627 -3.606 7.680 462 HD13 ILE 63 3HD1 ILE 63 3.133 -4.837 6.518 463 H ALA 64 H ALA 64 -2.375 -3.427 7.030 464 HA ALA 64 HA ALA 64 -3.044 -4.084 9.810 465 HB1 ALA 64 1HB ALA 64 -4.116 -1.923 9.194 466 HB2 ALA 64 2HB ALA 64 -5.002 -2.776 7.930 467 HB3 ALA 64 3HB ALA 64 -5.259 -3.195 9.624 468 H ASN 65 H ASN 65 -3.289 -6.216 9.843 469 HA ASN 65 HA ASN 65 -3.941 -7.735 7.510 470 HB2 ASN 65 1HB ASN 65 -3.522 -8.426 10.410 471 HB3 ASN 65 2HB ASN 65 -4.078 -9.635 9.256 472 HD21 ASN 65 1HD2 ASN 65 -1.578 -9.414 10.797 473 HD22 ASN 65 2HD2 ASN 65 -0.308 -9.481 9.627 474 HA PRO 66 HA PRO 66 -8.322 -7.905 7.757 475 HB2 PRO 66 1HB PRO 66 -8.797 -10.407 6.818 476 HB3 PRO 66 2HB PRO 66 -8.265 -9.077 5.782 477 HG2 PRO 66 1HG PRO 66 -6.659 -11.295 6.994 478 HG3 PRO 66 2HG PRO 66 -6.582 -10.624 5.354 479 HD2 PRO 66 1HD PRO 66 -4.806 -9.958 7.286 480 HD3 PRO 66 2HD PRO 66 -5.306 -8.823 6.016 481 H SER 67 H SER 67 -6.352 -9.745 9.747 482 HA SER 67 HA SER 67 -8.583 -11.087 11.089 483 HB2 SER 67 1HB SER 67 -5.589 -11.382 11.264 484 HB3 SER 67 2HB SER 67 -6.659 -12.092 12.472 485 HG SER 67 HG SER 67 -7.037 -12.549 9.712 486 H GLY 68 H GLY 68 -6.534 -8.353 11.360 487 HA2 GLY 68 1HA GLY 68 -7.443 -6.653 12.944 488 HA3 GLY 68 2HA GLY 68 -7.454 -7.941 14.140 489 H ALA 69 H ALA 69 -4.821 -8.863 12.837 490 HA ALA 69 HA ALA 69 -3.116 -7.491 14.681 491 HB1 ALA 69 1HB ALA 69 -2.558 -9.555 12.560 492 HB2 ALA 69 2HB ALA 69 -1.326 -8.906 13.643 493 HB3 ALA 69 3HB ALA 69 -2.694 -9.803 14.301 494 H SER 70 H SER 70 -0.929 -6.667 13.899 495 HA SER 70 HA SER 70 -1.206 -5.150 11.395 496 HB2 SER 70 1HB SER 70 -0.287 -3.160 12.462 497 HB3 SER 70 2HB SER 70 -1.735 -3.680 13.324 498 HG SER 70 HG SER 70 0.832 -4.522 14.138 499 H THR 71 H THR 71 0.524 -5.229 10.108 500 HA THR 71 HA THR 71 2.876 -6.670 11.045 501 HB THR 71 HB THR 71 2.328 -5.677 8.246 502 HG1 THR 71 1HG THR 71 0.809 -7.151 8.262 503 HG21 THR 71 1HG2 THR 71 4.669 -6.349 8.864 504 HG22 THR 71 2HG2 THR 71 3.951 -7.294 7.559 505 HG23 THR 71 3HG2 THR 71 4.050 -7.968 9.186 506 H GLU 72 H GLU 72 4.931 -5.847 11.121 507 HA GLU 72 HA GLU 72 5.154 -2.988 11.362 508 HB2 GLU 72 1HB GLU 72 6.345 -4.895 12.727 509 HB3 GLU 72 2HB GLU 72 7.523 -4.814 11.425 510 HG2 GLU 72 1HG GLU 72 7.999 -2.526 11.899 511 HG3 GLU 72 2HG GLU 72 6.669 -2.435 13.053 512 H CYS 73 H CYS 73 6.051 -1.577 9.970 513 HA CYS 73 HA CYS 73 7.141 -2.670 7.460 514 HB2 CYS 73 1HB CYS 73 6.321 -0.638 6.350 515 HB3 CYS 73 2HB CYS 73 5.007 -1.516 7.125 516 HG CYS 73 HG CYS 73 4.955 0.219 9.369 517 H PHE 74 H PHE 74 8.929 -1.650 6.520 518 HA PHE 74 HA PHE 74 10.375 0.212 8.287 519 HB2 PHE 74 1HB PHE 74 11.793 -1.754 6.512 520 HB3 PHE 74 2HB PHE 74 12.405 -0.904 7.927 521 HD1 PHE 74 2HD PHE 74 10.208 -1.460 9.849 522 HD2 PHE 74 1HD PHE 74 12.171 -3.989 7.044 523 HE1 PHE 74 2HE PHE 74 9.683 -3.415 11.248 524 HE2 PHE 74 1HE PHE 74 11.648 -5.947 8.438 525 HZ PHE 74 HZ PHE 74 10.403 -5.662 10.544 526 H VAL 75 H VAL 75 10.374 2.135 7.328 527 HA VAL 75 HA VAL 75 10.169 2.449 4.485 528 HB VAL 75 HB VAL 75 10.717 4.507 6.628 529 HG11 VAL 75 1HG1 VAL 75 10.159 6.175 4.989 530 HG12 VAL 75 2HG1 VAL 75 11.461 5.169 4.351 531 HG13 VAL 75 3HG1 VAL 75 9.807 4.935 3.786 532 HG21 VAL 75 1HG2 VAL 75 8.399 3.054 6.112 533 HG22 VAL 75 2HG2 VAL 75 8.535 4.530 7.068 534 HG23 VAL 75 3HG2 VAL 75 8.128 4.623 5.354 535 H THR 76 H THR 76 11.720 2.951 3.025 536 HA THR 76 HA THR 76 14.454 3.415 3.998 537 HB THR 76 HB THR 76 13.715 1.463 1.808 538 HG1 THR 76 1HG THR 76 13.416 0.680 3.971 539 HG21 THR 76 1HG2 THR 76 15.806 2.715 1.368 540 HG22 THR 76 2HG2 THR 76 16.088 0.996 1.649 541 HG23 THR 76 3HG2 THR 76 16.433 2.167 2.922 542 H ASP 77 H ASP 77 14.888 5.411 3.305 543 HA ASP 77 HA ASP 77 13.847 6.356 0.760 544 HB2 ASP 77 1HB ASP 77 14.711 8.532 1.427 545 HB3 ASP 77 2HB ASP 77 13.784 7.826 2.748 546 H ASN 78 H ASN 78 14.948 6.289 -1.079 547 HA ASN 78 HA ASN 78 17.673 5.350 -1.104 548 HB2 ASN 78 1HB ASN 78 15.737 6.096 -3.300 549 HB3 ASN 78 2HB ASN 78 17.385 5.558 -3.613 550 HD21 ASN 78 1HD2 ASN 78 14.224 4.643 -2.533 551 HD22 ASN 78 2HD2 ASN 78 14.481 2.935 -2.567 552 H ALA 79 H ALA 79 16.536 8.247 -0.389 553 HA ALA 79 HA ALA 79 17.239 10.413 -0.573 554 HB1 ALA 79 1HB ALA 79 19.110 9.463 0.643 555 HB2 ALA 79 2HB ALA 79 19.889 9.006 -0.872 556 HB3 ALA 79 3HB ALA 79 19.675 10.710 -0.469 557 H ASP 80 H ASP 80 16.323 9.246 -3.028 558 HA ASP 80 HA ASP 80 17.911 10.827 -4.941 559 HB2 ASP 80 1HB ASP 80 18.026 8.264 -5.178 560 HB3 ASP 80 2HB ASP 80 16.360 8.373 -5.738 561 H GLY 81 H GLY 81 14.800 9.931 -3.707 562 HA2 GLY 81 1HA GLY 81 13.307 12.037 -4.115 563 HA3 GLY 81 2HA GLY 81 13.429 11.489 -5.780 564 H THR 82 H THR 82 13.538 8.714 -4.159 565 HA THR 82 HA THR 82 10.613 8.456 -3.930 566 HB THR 82 HB THR 82 10.758 6.194 -4.899 567 HG1 THR 82 1HG THR 82 13.403 6.855 -5.696 568 HG21 THR 82 1HG2 THR 82 12.017 7.605 -7.096 569 HG22 THR 82 2HG2 THR 82 10.846 8.621 -6.254 570 HG23 THR 82 3HG2 THR 82 10.348 7.064 -6.916 571 H TYR 83 H TYR 83 9.935 6.545 -2.659 572 HA TYR 83 HA TYR 83 11.906 5.895 -0.566 573 HB2 TYR 83 1HB TYR 83 8.941 6.028 -0.068 574 HB3 TYR 83 2HB TYR 83 10.254 6.062 1.105 575 HD1 TYR 83 1HD TYR 83 8.539 8.036 -1.515 576 HD2 TYR 83 2HD TYR 83 11.250 8.108 1.763 577 HE1 TYR 83 1HE TYR 83 8.466 10.494 -1.516 578 HE2 TYR 83 2HE TYR 83 11.184 10.566 1.772 579 HH TYR 83 HH TYR 83 9.599 12.368 1.018 580 H GLN 84 H GLN 84 11.537 3.846 0.549 581 HA GLN 84 HA GLN 84 9.956 1.890 -0.947 582 HB2 GLN 84 1HB GLN 84 12.189 1.735 -1.901 583 HB3 GLN 84 2HB GLN 84 12.891 1.579 -0.296 584 HG2 GLN 84 1HG GLN 84 12.272 -0.594 -0.079 585 HG3 GLN 84 2HG GLN 84 10.838 -0.402 -1.086 586 HE21 GLN 84 1HE2 GLN 84 10.925 -1.058 -3.131 587 HE22 GLN 84 2HE2 GLN 84 12.357 -1.546 -3.965 588 H VAL 85 H VAL 85 8.690 0.875 0.446 589 HA VAL 85 HA VAL 85 9.601 0.575 3.230 590 HB VAL 85 HB VAL 85 6.778 0.509 2.155 591 HG11 VAL 85 1HG1 VAL 85 7.969 -0.008 4.825 592 HG12 VAL 85 2HG1 VAL 85 6.434 0.860 4.759 593 HG13 VAL 85 3HG1 VAL 85 6.571 -0.748 4.046 594 HG21 VAL 85 1HG2 VAL 85 7.456 2.743 2.001 595 HG22 VAL 85 2HG2 VAL 85 6.632 2.649 3.557 596 HG23 VAL 85 3HG2 VAL 85 8.394 2.656 3.492 597 H GLU 86 H GLU 86 10.191 -1.391 3.841 598 HA GLU 86 HA GLU 86 9.182 -3.702 2.329 599 HB2 GLU 86 1HB GLU 86 11.629 -3.398 2.321 600 HB3 GLU 86 2HB GLU 86 11.639 -3.484 4.077 601 HG2 GLU 86 1HG GLU 86 10.472 -5.791 3.662 602 HG3 GLU 86 2HG GLU 86 11.223 -5.643 2.075 603 H TYR 87 H TYR 87 8.035 -5.265 3.311 604 HA TYR 87 HA TYR 87 8.002 -5.465 6.213 605 HB2 TYR 87 1HB TYR 87 5.634 -5.197 6.446 606 HB3 TYR 87 2HB TYR 87 6.235 -3.793 5.572 607 HD1 TYR 87 2HD TYR 87 4.335 -6.931 5.271 608 HD2 TYR 87 1HD TYR 87 5.581 -3.371 3.302 609 HE1 TYR 87 2HE TYR 87 2.712 -7.363 3.474 610 HE2 TYR 87 1HE TYR 87 3.961 -3.793 1.501 611 HH TYR 87 HH TYR 87 2.302 -5.087 0.782 612 H THR 88 H THR 88 7.086 -7.430 6.988 613 HA THR 88 HA THR 88 6.771 -9.497 4.909 614 HB THR 88 HB THR 88 7.877 -10.032 7.662 615 HG1 THR 88 1HG THR 88 9.384 -9.649 5.273 616 HG21 THR 88 1HG2 THR 88 8.555 -11.661 5.281 617 HG22 THR 88 2HG2 THR 88 6.902 -11.783 5.885 618 HG23 THR 88 3HG2 THR 88 8.259 -12.157 6.946 619 HA PRO 89 HA PRO 89 2.789 -9.574 7.090 620 HB2 PRO 89 1HB PRO 89 1.462 -10.779 5.050 621 HB3 PRO 89 2HB PRO 89 1.776 -9.040 5.098 622 HG2 PRO 89 1HG PRO 89 3.246 -11.190 3.623 623 HG3 PRO 89 2HG PRO 89 2.770 -9.576 3.065 624 HD2 PRO 89 1HD PRO 89 5.285 -10.149 3.890 625 HD3 PRO 89 2HD PRO 89 4.546 -8.550 4.117 626 H PHE 90 H PHE 90 2.262 -11.124 8.488 627 HA PHE 90 HA PHE 90 3.142 -13.870 7.948 628 HB2 PHE 90 1HB PHE 90 2.521 -14.093 10.476 629 HB3 PHE 90 2HB PHE 90 4.014 -13.281 10.017 630 HD1 PHE 90 1HD PHE 90 0.529 -12.732 11.105 631 HD2 PHE 90 2HD PHE 90 4.382 -11.015 10.541 632 HE1 PHE 90 1HE PHE 90 -0.184 -10.733 12.350 633 HE2 PHE 90 2HE PHE 90 3.676 -9.013 11.786 634 HZ PHE 90 HZ PHE 90 1.391 -8.871 12.693 635 H GLU 91 H GLU 91 0.742 -12.671 6.768 636 HA GLU 91 HA GLU 91 -1.113 -14.773 7.490 637 HB2 GLU 91 1HB GLU 91 -1.624 -11.884 8.057 638 HB3 GLU 91 2HB GLU 91 -2.966 -12.897 7.545 639 HG2 GLU 91 1HG GLU 91 -2.285 -14.472 9.421 640 HG3 GLU 91 2HG GLU 91 -1.272 -13.153 10.004 641 H LYS 92 H LYS 92 -2.116 -15.518 5.732 642 HA LYS 92 HA LYS 92 -1.660 -14.208 3.198 643 HB2 LYS 92 1HB LYS 92 -3.179 -16.752 3.801 644 HB3 LYS 92 2HB LYS 92 -2.653 -16.207 2.214 645 HG2 LYS 92 1HG LYS 92 -0.350 -16.496 2.811 646 HG3 LYS 92 2HG LYS 92 -0.786 -16.857 4.484 647 HD2 LYS 92 1HD LYS 92 -2.076 -18.830 3.617 648 HD3 LYS 92 2HD LYS 92 -1.366 -18.512 2.032 649 HE2 LYS 92 1HE LYS 92 0.402 -18.787 4.425 650 HE3 LYS 92 2HE LYS 92 -0.254 -20.231 3.655 651 HZ1 LYS 92 1HZ LYS 92 0.715 -18.658 1.609 652 HZ2 LYS 92 2HZ LYS 92 1.400 -20.082 2.210 653 HZ3 LYS 92 3HZ LYS 92 1.895 -18.584 2.819 654 H GLY 93 H GLY 93 -2.914 -12.371 3.123 655 HA2 GLY 93 1HA GLY 93 -5.594 -12.658 2.291 656 HA3 GLY 93 2HA GLY 93 -5.569 -12.135 3.969 657 H LEU 94 H LEU 94 -6.778 -10.362 2.650 658 HA LEU 94 HA LEU 94 -4.973 -8.460 1.392 659 HB2 LEU 94 1HB LEU 94 -6.988 -8.599 0.246 660 HB3 LEU 94 2HB LEU 94 -7.938 -8.661 1.730 661 HG LEU 94 HG LEU 94 -7.290 -6.238 2.088 662 HD11 LEU 94 1HD1 LEU 94 -5.385 -6.338 0.453 663 HD12 LEU 94 2HD1 LEU 94 -6.475 -4.965 0.260 664 HD13 LEU 94 3HD1 LEU 94 -6.588 -6.342 -0.836 665 HD21 LEU 94 1HD2 LEU 94 -9.138 -5.490 0.914 666 HD22 LEU 94 2HD2 LEU 94 -9.462 -7.218 1.061 667 HD23 LEU 94 3HD2 LEU 94 -8.835 -6.563 -0.453 668 H HIS 95 H HIS 95 -3.875 -7.068 2.592 669 HA HIS 95 HA HIS 95 -4.966 -6.247 5.190 670 HB2 HIS 95 1HB HIS 95 -2.191 -5.532 4.378 671 HB3 HIS 95 2HB HIS 95 -2.817 -5.990 5.959 672 HD2 HIS 95 2HD HIS 95 -0.329 -7.419 3.840 673 HE1 HIS 95 1HE HIS 95 -2.613 -10.827 4.918 674 HE2 HIS 95 2HE HIS 95 -0.406 -9.997 4.034 675 H VAL 96 H VAL 96 -4.717 -3.998 5.843 676 HA VAL 96 HA VAL 96 -5.082 -2.184 3.556 677 HB VAL 96 HB VAL 96 -6.102 -2.056 6.387 678 HG11 VAL 96 1HG1 VAL 96 -5.396 0.135 4.658 679 HG12 VAL 96 2HG1 VAL 96 -7.131 0.126 4.980 680 HG13 VAL 96 3HG1 VAL 96 -5.984 0.163 6.320 681 HG21 VAL 96 1HG2 VAL 96 -7.306 -2.390 3.676 682 HG22 VAL 96 2HG2 VAL 96 -7.625 -3.281 5.165 683 HG23 VAL 96 3HG2 VAL 96 -8.255 -1.645 4.964 684 H VAL 97 H VAL 97 -3.099 -1.381 3.103 685 HA VAL 97 HA VAL 97 -1.336 -0.519 5.252 686 HB VAL 97 HB VAL 97 -0.964 -0.543 2.255 687 HG11 VAL 97 1HG1 VAL 97 1.139 0.058 4.322 688 HG12 VAL 97 2HG1 VAL 97 1.267 0.193 2.567 689 HG13 VAL 97 3HG1 VAL 97 0.243 1.312 3.466 690 HG21 VAL 97 1HG2 VAL 97 0.815 -2.121 3.959 691 HG22 VAL 97 2HG2 VAL 97 -0.873 -2.631 4.018 692 HG23 VAL 97 3HG2 VAL 97 -0.024 -2.568 2.473 693 H GLU 98 H GLU 98 -1.394 1.471 6.040 694 HA GLU 98 HA GLU 98 -2.764 3.571 4.548 695 HB2 GLU 98 1HB GLU 98 -2.072 3.103 7.398 696 HB3 GLU 98 2HB GLU 98 -2.143 4.776 6.861 697 HG2 GLU 98 1HG GLU 98 -4.375 2.814 6.424 698 HG3 GLU 98 2HG GLU 98 -4.256 3.847 7.847 699 H VAL 99 H VAL 99 -1.838 5.624 4.171 700 HA VAL 99 HA VAL 99 1.043 5.900 4.559 701 HB VAL 99 HB VAL 99 -0.174 6.352 1.838 702 HG11 VAL 99 1HG1 VAL 99 2.187 7.245 2.964 703 HG12 VAL 99 2HG1 VAL 99 2.677 5.840 2.016 704 HG13 VAL 99 3HG1 VAL 99 1.814 7.169 1.243 705 HG21 VAL 99 1HG2 VAL 99 -0.337 4.002 2.225 706 HG22 VAL 99 2HG2 VAL 99 1.057 4.272 1.179 707 HG23 VAL 99 3HG2 VAL 99 1.293 3.942 2.895 708 H THR 100 H THR 100 1.625 7.932 5.038 709 HA THR 100 HA THR 100 -0.178 10.137 4.334 710 HB THR 100 HB THR 100 0.269 11.108 6.648 711 HG1 THR 100 1HG THR 100 0.528 9.141 8.158 712 HG21 THR 100 1HG2 THR 100 -1.740 9.437 5.704 713 HG22 THR 100 2HG2 THR 100 -1.811 10.457 7.141 714 HG23 THR 100 3HG2 THR 100 -1.323 8.768 7.281 715 H TYR 101 H TYR 101 0.857 11.893 3.609 716 HA TYR 101 HA TYR 101 3.781 11.995 3.954 717 HB2 TYR 101 1HB TYR 101 2.856 11.673 1.612 718 HB3 TYR 101 2HB TYR 101 2.207 13.304 1.735 719 HD1 TYR 101 1HD TYR 101 3.945 15.163 2.366 720 HD2 TYR 101 2HD TYR 101 4.982 11.370 0.740 721 HE1 TYR 101 1HE TYR 101 6.097 16.082 1.609 722 HE2 TYR 101 2HE TYR 101 7.137 12.278 -0.020 723 HH TYR 101 HH TYR 101 8.450 14.060 -0.126 724 H ASP 102 H ASP 102 4.119 13.328 5.638 725 HA ASP 102 HA ASP 102 4.277 15.265 6.822 726 HB2 ASP 102 1HB ASP 102 4.730 16.175 4.483 727 HB3 ASP 102 2HB ASP 102 3.045 16.686 4.463 728 H ASP 103 H ASP 103 2.098 13.697 7.349 729 HA ASP 103 HA ASP 103 0.149 13.758 8.527 730 HB2 ASP 103 1HB ASP 103 0.167 16.764 8.371 731 HB3 ASP 103 2HB ASP 103 -0.502 15.732 9.633 732 H VAL 104 H VAL 104 0.302 13.870 5.563 733 HA VAL 104 HA VAL 104 -2.486 14.672 5.095 734 HB VAL 104 HB VAL 104 -0.219 15.189 3.166 735 HG11 VAL 104 1HG1 VAL 104 -3.076 16.097 2.933 736 HG12 VAL 104 2HG1 VAL 104 -1.811 16.135 1.703 737 HG13 VAL 104 3HG1 VAL 104 -2.494 14.593 2.221 738 HG21 VAL 104 1HG2 VAL 104 -0.808 17.589 3.570 739 HG22 VAL 104 2HG2 VAL 104 -1.811 17.054 4.918 740 HG23 VAL 104 3HG2 VAL 104 -0.071 16.771 4.948 741 HA PRO 105 HA PRO 105 -2.406 10.406 3.712 742 HB2 PRO 105 1HB PRO 105 -5.095 10.211 3.393 743 HB3 PRO 105 2HB PRO 105 -4.305 10.103 4.970 744 HG2 PRO 105 1HG PRO 105 -5.679 12.437 3.695 745 HG3 PRO 105 2HG PRO 105 -5.771 11.863 5.370 746 HD2 PRO 105 1HD PRO 105 -4.227 13.961 4.631 747 HD3 PRO 105 2HD PRO 105 -3.780 12.866 5.955 748 H ILE 106 H ILE 106 -2.342 9.518 1.714 749 HA ILE 106 HA ILE 106 -2.732 11.254 -0.558 750 HB ILE 106 HB ILE 106 -1.928 9.292 -1.880 751 HG12 ILE 106 1HG1 ILE 106 -1.526 8.032 0.841 752 HG13 ILE 106 2HG1 ILE 106 -2.774 7.556 -0.305 753 HG21 ILE 106 1HG2 ILE 106 0.375 9.396 -1.048 754 HG22 ILE 106 2HG2 ILE 106 -0.382 10.988 -1.078 755 HG23 ILE 106 3HG2 ILE 106 -0.204 10.126 0.450 756 HD11 ILE 106 1HD1 ILE 106 -0.087 6.671 -0.128 757 HD12 ILE 106 2HD1 ILE 106 -1.354 6.151 -1.240 758 HD13 ILE 106 3HD1 ILE 106 -0.301 7.500 -1.669 759 HA PRO 107 HA PRO 107 -6.723 9.930 -1.823 760 HB2 PRO 107 1HB PRO 107 -6.487 10.063 -4.525 761 HB3 PRO 107 2HB PRO 107 -6.580 11.498 -3.497 762 HG2 PRO 107 1HG PRO 107 -4.175 10.184 -4.702 763 HG3 PRO 107 2HG PRO 107 -4.567 11.910 -4.586 764 HD2 PRO 107 1HD PRO 107 -2.840 10.691 -2.894 765 HD3 PRO 107 2HD PRO 107 -3.868 12.050 -2.394 766 H ASN 108 H ASN 108 -4.088 7.999 -2.081 767 HA ASN 108 HA ASN 108 -5.514 5.880 -3.541 768 HB2 ASN 108 1HB ASN 108 -2.577 5.940 -2.833 769 HB3 ASN 108 2HB ASN 108 -3.386 4.848 -3.954 770 HD21 ASN 108 1HD2 ASN 108 -2.594 8.238 -3.399 771 HD22 ASN 108 2HD2 ASN 108 -2.503 8.676 -5.068 772 H SER 109 H SER 109 -4.562 6.894 -0.456 773 HA SER 109 HA SER 109 -4.579 4.188 0.654 774 HB2 SER 109 1HB SER 109 -3.101 6.424 1.301 775 HB3 SER 109 2HB SER 109 -4.342 6.408 2.553 776 HG SER 109 HG SER 109 -2.398 4.459 1.952 777 HA PRO 110 HA PRO 110 -4.815 3.457 2.855 778 HB2 PRO 110 1HB PRO 110 -6.404 1.323 3.396 779 HB3 PRO 110 2HB PRO 110 -6.214 2.685 4.506 780 HG2 PRO 110 1HG PRO 110 -8.417 2.121 2.559 781 HG3 PRO 110 2HG PRO 110 -8.523 2.707 4.230 782 HD2 PRO 110 1HD PRO 110 -8.741 4.354 2.092 783 HD3 PRO 110 2HD PRO 110 -8.032 4.878 3.633 784 H PHE 111 H PHE 111 -3.867 1.532 2.031 785 HA PHE 111 HA PHE 111 -4.586 1.014 -0.750 786 HB2 PHE 111 1HB PHE 111 -2.136 0.474 0.908 787 HB3 PHE 111 2HB PHE 111 -2.372 -0.324 -0.643 788 HD1 PHE 111 1HD PHE 111 -2.561 1.056 -2.711 789 HD2 PHE 111 2HD PHE 111 -1.420 2.712 1.040 790 HE1 PHE 111 1HE PHE 111 -1.639 3.025 -3.864 791 HE2 PHE 111 2HE PHE 111 -0.497 4.684 -0.107 792 HZ PHE 111 HZ PHE 111 -0.607 4.842 -2.562 793 H LYS 112 H LYS 112 -4.334 -1.289 -1.518 794 HA LYS 112 HA LYS 112 -5.342 -3.197 0.483 795 HB2 LYS 112 1HB LYS 112 -6.482 -2.466 -2.176 796 HB3 LYS 112 2HB LYS 112 -6.612 -4.138 -1.644 797 HG2 LYS 112 1HG LYS 112 -8.021 -3.620 0.095 798 HG3 LYS 112 2HG LYS 112 -7.454 -1.951 0.198 799 HD2 LYS 112 1HD LYS 112 -9.502 -1.628 -0.778 800 HD3 LYS 112 2HD LYS 112 -8.494 -1.802 -2.217 801 HE2 LYS 112 1HE LYS 112 -10.251 -3.218 -2.696 802 HE3 LYS 112 2HE LYS 112 -9.078 -4.327 -1.989 803 HZ1 LYS 112 1HZ LYS 112 -10.250 -4.033 0.157 804 HZ2 LYS 112 2HZ LYS 112 -11.203 -4.761 -1.035 805 HZ3 LYS 112 3HZ LYS 112 -11.438 -3.132 -0.643 806 H VAL 113 H VAL 113 -3.691 -4.572 0.730 807 HA VAL 113 HA VAL 113 -2.277 -5.522 -1.669 808 HB VAL 113 HB VAL 113 -1.431 -5.675 1.228 809 HG11 VAL 113 1HG1 VAL 113 -0.698 -7.422 -0.671 810 HG12 VAL 113 2HG1 VAL 113 0.493 -6.152 -0.962 811 HG13 VAL 113 3HG1 VAL 113 0.373 -6.902 0.631 812 HG21 VAL 113 1HG2 VAL 113 -0.621 -3.869 -1.037 813 HG22 VAL 113 2HG2 VAL 113 -1.254 -3.418 0.546 814 HG23 VAL 113 3HG2 VAL 113 0.369 -4.092 0.405 815 H ALA 114 H ALA 114 -3.442 -7.226 -2.401 816 HA ALA 114 HA ALA 114 -4.516 -9.199 -0.574 817 HB1 ALA 114 1HB ALA 114 -5.621 -10.128 -2.417 818 HB2 ALA 114 2HB ALA 114 -5.629 -8.391 -2.726 819 HB3 ALA 114 3HB ALA 114 -4.478 -9.431 -3.566 820 H VAL 115 H VAL 115 -3.014 -10.475 0.345 821 HA VAL 115 HA VAL 115 -0.696 -11.389 -1.112 822 HB VAL 115 HB VAL 115 -1.695 -12.023 1.666 823 HG11 VAL 115 1HG1 VAL 115 0.693 -13.023 0.154 824 HG12 VAL 115 2HG1 VAL 115 0.703 -12.916 1.915 825 HG13 VAL 115 3HG1 VAL 115 -0.484 -13.934 1.098 826 HG21 VAL 115 1HG2 VAL 115 -0.867 -9.954 1.986 827 HG22 VAL 115 2HG2 VAL 115 0.692 -10.778 1.953 828 HG23 VAL 115 3HG2 VAL 115 0.081 -9.990 0.499 829 H THR 116 H THR 116 -0.158 -13.611 -1.454 830 HA THR 116 HA THR 116 -2.402 -15.497 -1.416 831 HB THR 116 HB THR 116 -2.414 -14.584 -3.671 832 HG1 THR 116 1HG THR 116 -2.849 -16.577 -4.205 833 HG21 THR 116 1HG2 THR 116 0.458 -15.507 -3.842 834 HG22 THR 116 2HG2 THR 116 -0.075 -13.828 -3.754 835 HG23 THR 116 3HG2 THR 116 -0.492 -14.814 -5.155 836 H GLU 117 H GLU 117 -1.602 -17.755 -2.048 837 HA GLU 117 HA GLU 117 0.533 -18.446 -0.302 838 HB2 GLU 117 1HB GLU 117 -1.244 -19.951 -2.180 839 HB3 GLU 117 2HB GLU 117 0.186 -20.745 -1.533 840 HG2 GLU 117 1HG GLU 117 -1.404 -21.368 -0.012 841 HG3 GLU 117 2HG GLU 117 -0.735 -19.931 0.760 842 H GLY 118 H GLY 118 2.644 -18.605 -0.693 843 HA2 GLY 118 1HA GLY 118 3.530 -18.481 -3.506 844 HA3 GLY 118 2HA GLY 118 4.439 -17.842 -2.144 845 H CYS 119 H CYS 119 6.125 -19.021 -1.563 846 HA CYS 119 HA CYS 119 5.960 -21.878 -1.324 847 HB2 CYS 119 1HB CYS 119 7.788 -22.387 -2.887 848 HB3 CYS 119 2HB CYS 119 6.403 -21.696 -3.723 849 HG CYS 119 HG CYS 119 7.618 -19.087 -3.764 850 H GLN 120 H GLN 120 7.614 -22.748 -0.070 851 HA GLN 120 HA GLN 120 9.329 -20.745 1.230 852 HB2 GLN 120 1HB GLN 120 7.561 -22.222 2.495 853 HB3 GLN 120 2HB GLN 120 8.816 -23.450 2.400 854 HG2 GLN 120 1HG GLN 120 8.852 -22.206 4.516 855 HG3 GLN 120 2HG GLN 120 10.352 -22.049 3.603 856 HE21 GLN 120 1HE2 GLN 120 10.858 -20.156 4.743 857 HE22 GLN 120 2HE2 GLN 120 10.080 -18.655 4.391 858 HA PRO 121 HA PRO 121 12.841 -22.694 -0.606 859 HB2 PRO 121 1HB PRO 121 14.744 -21.575 0.974 860 HB3 PRO 121 2HB PRO 121 13.911 -20.683 -0.304 861 HG2 PRO 121 1HG PRO 121 13.389 -20.699 2.643 862 HG3 PRO 121 2HG PRO 121 13.423 -19.327 1.520 863 HD2 PRO 121 1HD PRO 121 11.114 -20.461 2.365 864 HD3 PRO 121 2HD PRO 121 11.290 -19.741 0.752 865 H SER 122 H SER 122 14.888 -23.850 0.201 866 HA SER 122 HA SER 122 14.048 -25.790 2.215 867 HB2 SER 122 1HB SER 122 14.962 -26.419 -0.107 868 HB3 SER 122 2HB SER 122 16.543 -25.969 0.533 869 HG SER 122 HG SER 122 16.394 -28.078 1.003 870 H SER 123 H SER 123 14.590 -25.350 4.244 871 HA SER 123 HA SER 123 17.172 -24.039 4.767 872 HB2 SER 123 1HB SER 123 15.247 -22.786 5.604 873 HB3 SER 123 2HB SER 123 14.694 -24.200 6.501 874 HG SER 123 HG SER 123 15.815 -22.921 7.921 875 H GLY 124 H GLY 124 18.678 -25.547 5.137 876 HA2 GLY 124 1HA GLY 124 18.152 -28.128 6.177 877 HA3 GLY 124 2HA GLY 124 19.737 -27.388 6.014 878 HA PRO 125 HA PRO 125 17.844 -27.129 10.487 879 HB2 PRO 125 1HB PRO 125 17.800 -29.689 11.390 880 HB3 PRO 125 2HB PRO 125 16.403 -28.913 10.635 881 HG2 PRO 125 1HG PRO 125 18.402 -30.794 9.439 882 HG3 PRO 125 2HG PRO 125 16.639 -30.764 9.246 883 HD2 PRO 125 1HD PRO 125 18.327 -29.760 7.381 884 HD3 PRO 125 2HD PRO 125 16.714 -29.078 7.676 885 H SER 126 H SER 126 19.550 -26.404 11.583 886 HA SER 126 HA SER 126 22.166 -27.486 11.300 887 HB2 SER 126 1HB SER 126 21.146 -25.557 13.399 888 HB3 SER 126 2HB SER 126 22.831 -25.825 12.953 889 HG SER 126 HG SER 126 22.094 -25.166 10.764 890 H SER 127 H SER 127 23.098 -29.103 12.358 891 HA SER 127 HA SER 127 21.956 -29.943 14.940 892 HB2 SER 127 1HB SER 127 22.649 -31.593 12.533 893 HB3 SER 127 2HB SER 127 22.775 -32.304 14.142 894 HG SER 127 HG SER 127 20.540 -31.523 14.421 895 H GLY 128 H GLY 128 23.553 -28.869 16.112 896 HA2 GLY 128 1HA GLY 128 25.564 -29.762 17.325 897 HA3 GLY 128 2HA GLY 128 26.295 -29.902 15.733 Start of MODEL 20 1 H1 GLY 1 H GLY 1 20.690 2.449 30.611 2 HA2 GLY 1 1HA GLY 1 19.770 4.105 32.025 3 HA3 GLY 1 2HA GLY 1 21.343 4.298 32.783 4 H SER 2 H SER 2 20.598 6.613 32.442 5 HA SER 2 HA SER 2 20.879 8.624 31.415 6 HB2 SER 2 1HB SER 2 22.942 6.970 29.965 7 HB3 SER 2 2HB SER 2 22.711 8.684 29.619 8 HG SER 2 HG SER 2 24.104 8.854 31.209 9 H SER 3 H SER 3 18.699 7.135 30.566 10 HA SER 3 HA SER 3 18.334 8.229 27.893 11 HB2 SER 3 1HB SER 3 19.125 5.843 27.635 12 HB3 SER 3 2HB SER 3 17.646 5.338 28.454 13 HG SER 3 HG SER 3 17.936 6.616 25.953 14 H GLY 4 H GLY 4 16.589 9.460 28.095 15 HA2 GLY 4 1HA GLY 4 14.134 8.314 29.136 16 HA3 GLY 4 2HA GLY 4 14.777 9.659 30.067 17 H SER 5 H SER 5 14.797 9.191 26.555 18 HA SER 5 HA SER 5 13.753 11.849 26.171 19 HB2 SER 5 1HB SER 5 15.503 10.543 24.724 20 HB3 SER 5 2HB SER 5 14.075 9.866 23.942 21 HG SER 5 HG SER 5 14.582 11.686 22.815 22 H SER 6 H SER 6 11.654 11.889 26.904 23 HA SER 6 HA SER 6 9.693 10.687 25.138 24 HB2 SER 6 1HB SER 6 9.971 9.936 28.033 25 HB3 SER 6 2HB SER 6 8.386 9.922 27.260 26 HG SER 6 HG SER 6 10.607 8.596 26.124 27 H GLY 7 H GLY 7 7.386 11.327 26.067 28 HA2 GLY 7 1HA GLY 7 6.266 13.072 27.416 29 HA3 GLY 7 2HA GLY 7 7.581 14.141 26.950 30 H HIS 8 H HIS 8 5.117 12.066 25.421 31 HA HIS 8 HA HIS 8 4.649 14.242 23.489 32 HB2 HIS 8 1HB HIS 8 4.782 11.267 23.029 33 HB3 HIS 8 2HB HIS 8 3.958 12.344 21.905 34 HD1 HIS 8 1HD HIS 8 7.030 10.718 22.197 35 HD2 HIS 8 2HD HIS 8 5.967 14.627 21.274 36 HE1 HIS 8 1HE HIS 8 9.010 11.685 20.985 37 H PHE 9 H PHE 9 2.599 14.906 23.252 38 HA PHE 9 HA PHE 9 0.521 13.416 24.707 39 HB2 PHE 9 1HB PHE 9 0.509 15.487 25.717 40 HB3 PHE 9 2HB PHE 9 1.011 16.323 24.251 41 HD1 PHE 9 2HD PHE 9 -1.871 14.590 25.818 42 HD2 PHE 9 1HD PHE 9 -0.552 17.404 22.910 43 HE1 PHE 9 2HE PHE 9 -4.205 15.246 25.399 44 HE2 PHE 9 1HE PHE 9 -2.884 18.066 22.487 45 HZ PHE 9 HZ PHE 9 -4.714 16.986 23.732 46 HA PRO 10 HA PRO 10 -0.882 12.607 20.496 47 HB2 PRO 10 1HB PRO 10 -2.629 10.660 21.222 48 HB3 PRO 10 2HB PRO 10 -0.893 10.376 21.045 49 HG2 PRO 10 1HG PRO 10 -2.490 10.861 23.530 50 HG3 PRO 10 2HG PRO 10 -1.196 9.683 23.244 51 HD2 PRO 10 1HD PRO 10 -0.778 12.018 24.551 52 HD3 PRO 10 2HD PRO 10 0.468 11.250 23.547 53 H ALA 11 H ALA 11 -2.717 13.184 19.375 54 HA ALA 11 HA ALA 11 -5.144 13.880 20.809 55 HB1 ALA 11 1HB ALA 11 -3.358 15.869 20.571 56 HB2 ALA 11 2HB ALA 11 -4.209 16.046 19.036 57 HB3 ALA 11 3HB ALA 11 -5.104 16.124 20.554 58 H ARG 12 H ARG 12 -6.964 14.196 19.427 59 HA ARG 12 HA ARG 12 -6.614 12.913 16.812 60 HB2 ARG 12 1HB ARG 12 -9.063 13.292 18.542 61 HB3 ARG 12 2HB ARG 12 -9.097 12.586 16.932 62 HG2 ARG 12 1HG ARG 12 -7.855 10.704 17.621 63 HG3 ARG 12 2HG ARG 12 -7.412 11.467 19.150 64 HD2 ARG 12 1HD ARG 12 -9.113 9.898 19.651 65 HD3 ARG 12 2HD ARG 12 -9.867 11.491 19.715 66 HE ARG 12 HE ARG 12 -10.318 10.662 17.168 67 HH11 ARG 12 1HH1 ARG 12 -10.922 9.289 20.310 68 HH12 ARG 12 2HH1 ARG 12 -12.328 8.415 19.801 69 HH21 ARG 12 1HH2 ARG 12 -12.168 9.515 16.486 70 HH22 ARG 12 2HH2 ARG 12 -13.036 8.543 17.626 71 H VAL 13 H VAL 13 -5.856 15.602 17.023 72 HA VAL 13 HA VAL 13 -8.046 17.075 15.735 73 HB VAL 13 HB VAL 13 -6.976 18.181 17.654 74 HG11 VAL 13 1HG1 VAL 13 -4.483 18.253 15.960 75 HG12 VAL 13 2HG1 VAL 13 -4.687 18.919 17.581 76 HG13 VAL 13 3HG1 VAL 13 -4.731 17.173 17.331 77 HG21 VAL 13 1HG2 VAL 13 -7.102 20.250 16.726 78 HG22 VAL 13 2HG2 VAL 13 -6.061 19.827 15.366 79 HG23 VAL 13 3HG2 VAL 13 -7.751 19.325 15.372 80 H LYS 14 H LYS 14 -7.979 17.615 13.640 81 HA LYS 14 HA LYS 14 -5.708 16.695 12.061 82 HB2 LYS 14 1HB LYS 14 -7.170 17.058 10.126 83 HB3 LYS 14 2HB LYS 14 -7.946 16.042 11.333 84 HG2 LYS 14 1HG LYS 14 -9.665 17.442 10.793 85 HG3 LYS 14 2HG LYS 14 -8.955 18.319 12.151 86 HD2 LYS 14 1HD LYS 14 -7.771 19.783 10.648 87 HD3 LYS 14 2HD LYS 14 -8.300 18.842 9.252 88 HE2 LYS 14 1HE LYS 14 -9.738 20.682 9.276 89 HE3 LYS 14 2HE LYS 14 -10.680 19.394 10.025 90 HZ1 LYS 14 1HZ LYS 14 -9.114 21.325 11.629 91 HZ2 LYS 14 2HZ LYS 14 -10.362 20.305 12.142 92 HZ3 LYS 14 3HZ LYS 14 -10.710 21.637 11.159 93 H VAL 15 H VAL 15 -4.674 18.020 10.492 94 HA VAL 15 HA VAL 15 -4.927 20.915 10.986 95 HB VAL 15 HB VAL 15 -2.884 20.078 12.046 96 HG11 VAL 15 1HG1 VAL 15 -1.210 18.899 10.951 97 HG12 VAL 15 2HG1 VAL 15 -2.685 18.180 10.301 98 HG13 VAL 15 3HG1 VAL 15 -1.789 19.367 9.353 99 HG21 VAL 15 1HG2 VAL 15 -1.399 21.422 10.083 100 HG22 VAL 15 2HG2 VAL 15 -3.021 22.113 10.025 101 HG23 VAL 15 3HG2 VAL 15 -2.120 22.104 11.541 102 H GLU 16 H GLU 16 -5.309 22.089 9.227 103 HA GLU 16 HA GLU 16 -5.910 21.164 6.752 104 HB2 GLU 16 1HB GLU 16 -4.611 23.809 7.421 105 HB3 GLU 16 2HB GLU 16 -5.383 23.442 5.885 106 HG2 GLU 16 1HG GLU 16 -7.508 23.076 7.056 107 HG3 GLU 16 2HG GLU 16 -6.725 23.497 8.578 108 HA PRO 17 HA PRO 17 -2.129 19.673 5.014 109 HB2 PRO 17 1HB PRO 17 -2.990 19.433 2.451 110 HB3 PRO 17 2HB PRO 17 -3.451 18.303 3.729 111 HG2 PRO 17 1HG PRO 17 -4.982 20.616 2.603 112 HG3 PRO 17 2HG PRO 17 -5.556 18.990 3.016 113 HD2 PRO 17 1HD PRO 17 -5.942 21.126 4.634 114 HD3 PRO 17 2HD PRO 17 -5.717 19.481 5.263 115 H ALA 18 H ALA 18 -0.354 20.634 4.216 116 HA ALA 18 HA ALA 18 -0.697 23.136 2.695 117 HB1 ALA 18 1HB ALA 18 1.586 22.545 4.569 118 HB2 ALA 18 2HB ALA 18 1.204 24.076 3.780 119 HB3 ALA 18 3HB ALA 18 0.141 23.442 5.036 120 H VAL 19 H VAL 19 -0.093 20.137 2.091 121 HA VAL 19 HA VAL 19 2.061 20.722 0.178 122 HB VAL 19 HB VAL 19 2.986 19.423 2.084 123 HG11 VAL 19 1HG1 VAL 19 0.588 17.939 1.751 124 HG12 VAL 19 2HG1 VAL 19 1.951 16.855 1.462 125 HG13 VAL 19 3HG1 VAL 19 1.839 17.748 2.979 126 HG21 VAL 19 1HG2 VAL 19 3.922 17.554 0.646 127 HG22 VAL 19 2HG2 VAL 19 2.877 18.154 -0.641 128 HG23 VAL 19 3HG2 VAL 19 4.131 19.194 0.033 129 H ASP 20 H ASP 20 2.003 19.505 -1.758 130 HA ASP 20 HA ASP 20 -0.680 18.570 -2.435 131 HB2 ASP 20 1HB ASP 20 0.592 18.484 -4.791 132 HB3 ASP 20 2HB ASP 20 -0.102 19.968 -4.144 133 H THR 21 H THR 21 -1.053 16.481 -2.106 134 HA THR 21 HA THR 21 0.954 14.545 -3.038 135 HB THR 21 HB THR 21 0.696 13.141 -1.153 136 HG1 THR 21 1HG THR 21 -1.415 13.188 -0.614 137 HG21 THR 21 1HG2 THR 21 1.470 14.484 0.674 138 HG22 THR 21 2HG2 THR 21 0.726 15.931 -0.006 139 HG23 THR 21 3HG2 THR 21 2.104 15.186 -0.814 140 H SER 22 H SER 22 -1.121 15.330 -4.620 141 HA SER 22 HA SER 22 -3.061 13.123 -4.416 142 HB2 SER 22 1HB SER 22 -3.301 15.947 -5.311 143 HB3 SER 22 2HB SER 22 -4.240 14.748 -6.200 144 HG SER 22 HG SER 22 -5.592 14.923 -4.607 145 H ARG 23 H ARG 23 -0.273 13.752 -5.860 146 HA ARG 23 HA ARG 23 -1.055 12.396 -8.355 147 HB2 ARG 23 1HB ARG 23 0.761 13.591 -9.504 148 HB3 ARG 23 2HB ARG 23 -0.436 14.700 -8.850 149 HG2 ARG 23 1HG ARG 23 1.245 14.714 -6.801 150 HG3 ARG 23 2HG ARG 23 2.390 14.279 -8.071 151 HD2 ARG 23 1HD ARG 23 0.499 16.586 -8.390 152 HD3 ARG 23 2HD ARG 23 2.036 16.770 -7.546 153 HE ARG 23 HE ARG 23 2.740 15.617 -9.895 154 HH11 ARG 23 1HH1 ARG 23 0.874 18.435 -9.059 155 HH12 ARG 23 2HH1 ARG 23 1.303 19.306 -10.494 156 HH21 ARG 23 1HH2 ARG 23 3.312 16.753 -11.789 157 HH22 ARG 23 2HH2 ARG 23 2.689 18.348 -12.047 158 H ILE 24 H ILE 24 0.221 11.743 -5.558 159 HA ILE 24 HA ILE 24 2.797 10.695 -6.136 160 HB ILE 24 HB ILE 24 0.857 10.280 -3.885 161 HG12 ILE 24 1HG1 ILE 24 3.635 11.457 -4.101 162 HG13 ILE 24 2HG1 ILE 24 2.133 12.342 -3.860 163 HG21 ILE 24 1HG2 ILE 24 3.155 9.077 -3.017 164 HG22 ILE 24 2HG2 ILE 24 1.707 8.236 -3.568 165 HG23 ILE 24 3HG2 ILE 24 3.043 8.517 -4.685 166 HD11 ILE 24 1HD1 ILE 24 2.491 12.223 -1.684 167 HD12 ILE 24 2HD1 ILE 24 2.265 10.477 -1.780 168 HD13 ILE 24 3HD1 ILE 24 3.881 11.166 -1.927 169 H LYS 25 H LYS 25 3.412 8.783 -6.946 170 HA LYS 25 HA LYS 25 1.309 6.793 -7.500 171 HB2 LYS 25 1HB LYS 25 3.568 7.822 -9.137 172 HB3 LYS 25 2HB LYS 25 3.174 6.114 -9.292 173 HG2 LYS 25 1HG LYS 25 0.830 6.763 -9.802 174 HG3 LYS 25 2HG LYS 25 1.345 8.451 -9.797 175 HD2 LYS 25 1HD LYS 25 1.516 7.981 -12.033 176 HD3 LYS 25 2HD LYS 25 3.145 7.556 -11.501 177 HE2 LYS 25 1HE LYS 25 2.565 5.720 -12.774 178 HE3 LYS 25 2HE LYS 25 2.123 5.190 -11.151 179 HZ1 LYS 25 1HZ LYS 25 -0.151 6.312 -11.914 180 HZ2 LYS 25 2HZ LYS 25 0.204 4.682 -12.189 181 HZ3 LYS 25 3HZ LYS 25 0.422 5.814 -13.426 182 H VAL 26 H VAL 26 1.663 4.684 -6.973 183 HA VAL 26 HA VAL 26 4.274 3.990 -5.805 184 HB VAL 26 HB VAL 26 3.219 2.765 -4.010 185 HG11 VAL 26 1HG1 VAL 26 2.237 4.630 -2.742 186 HG12 VAL 26 2HG1 VAL 26 3.708 5.107 -3.592 187 HG13 VAL 26 3HG1 VAL 26 2.129 5.570 -4.229 188 HG21 VAL 26 1HG2 VAL 26 0.641 3.631 -5.303 189 HG22 VAL 26 2HG2 VAL 26 1.210 1.987 -5.015 190 HG23 VAL 26 3HG2 VAL 26 0.738 3.007 -3.657 191 H PHE 27 H PHE 27 5.124 2.227 -6.681 192 HA PHE 27 HA PHE 27 3.321 0.204 -7.828 193 HB2 PHE 27 1HB PHE 27 5.250 -0.122 -9.544 194 HB3 PHE 27 2HB PHE 27 4.117 1.205 -9.774 195 HD1 PHE 27 2HD PHE 27 7.535 0.292 -8.848 196 HD2 PHE 27 1HD PHE 27 4.805 3.495 -9.484 197 HE1 PHE 27 2HE PHE 27 9.413 1.880 -8.886 198 HE2 PHE 27 1HE PHE 27 6.679 5.089 -9.524 199 HZ PHE 27 HZ PHE 27 8.986 4.283 -9.223 200 H GLY 28 H GLY 28 4.421 -1.927 -8.156 201 HA2 GLY 28 1HA GLY 28 6.456 -3.230 -7.530 202 HA3 GLY 28 2HA GLY 28 6.380 -2.385 -5.991 203 HA PRO 29 HA PRO 29 3.954 -6.469 -5.972 204 HB2 PRO 29 1HB PRO 29 5.661 -7.911 -4.430 205 HB3 PRO 29 2HB PRO 29 5.755 -7.878 -6.195 206 HG2 PRO 29 1HG PRO 29 7.364 -6.352 -4.183 207 HG3 PRO 29 2HG PRO 29 7.905 -7.170 -5.661 208 HD2 PRO 29 1HD PRO 29 7.518 -4.493 -5.535 209 HD3 PRO 29 2HD PRO 29 7.240 -5.429 -7.018 210 H GLY 30 H GLY 30 5.801 -4.710 -3.531 211 HA2 GLY 30 1HA GLY 30 4.459 -5.674 -1.251 212 HA3 GLY 30 2HA GLY 30 5.318 -4.145 -1.360 213 H ILE 31 H ILE 31 3.486 -3.409 -3.669 214 HA ILE 31 HA ILE 31 1.175 -2.641 -2.009 215 HB ILE 31 HB ILE 31 2.729 -0.787 -2.772 216 HG12 ILE 31 1HG1 ILE 31 0.810 0.686 -3.483 217 HG13 ILE 31 2HG1 ILE 31 -0.194 -0.758 -3.547 218 HG21 ILE 31 1HG2 ILE 31 3.161 -0.413 -4.930 219 HG22 ILE 31 2HG2 ILE 31 2.522 -2.032 -5.213 220 HG23 ILE 31 3HG2 ILE 31 1.473 -0.626 -5.393 221 HD11 ILE 31 1HD1 ILE 31 1.272 -0.289 -1.032 222 HD12 ILE 31 2HD1 ILE 31 -0.040 0.828 -1.411 223 HD13 ILE 31 3HD1 ILE 31 -0.358 -0.904 -1.304 224 H GLU 32 H GLU 32 2.196 -4.316 -4.781 225 HA GLU 32 HA GLU 32 -0.396 -4.143 -6.104 226 HB2 GLU 32 1HB GLU 32 2.179 -5.523 -6.871 227 HB3 GLU 32 2HB GLU 32 0.704 -5.605 -7.824 228 HG2 GLU 32 1HG GLU 32 1.799 -2.936 -7.099 229 HG3 GLU 32 2HG GLU 32 2.578 -3.866 -8.378 230 H GLY 33 H GLY 33 1.687 -6.547 -4.540 231 HA2 GLY 33 1HA GLY 33 0.772 -8.270 -3.156 232 HA3 GLY 33 2HA GLY 33 -0.704 -8.203 -4.107 233 H LYS 34 H LYS 34 2.663 -8.453 -5.193 234 HA LYS 34 HA LYS 34 1.918 -10.791 -6.776 235 HB2 LYS 34 1HB LYS 34 4.573 -9.365 -6.812 236 HB3 LYS 34 2HB LYS 34 3.885 -10.405 -8.052 237 HG2 LYS 34 1HG LYS 34 2.813 -7.705 -7.259 238 HG3 LYS 34 2HG LYS 34 3.821 -8.035 -8.671 239 HD2 LYS 34 1HD LYS 34 1.300 -9.586 -8.291 240 HD3 LYS 34 2HD LYS 34 1.205 -7.925 -8.882 241 HE2 LYS 34 1HE LYS 34 1.285 -9.385 -10.774 242 HE3 LYS 34 2HE LYS 34 2.830 -8.543 -10.668 243 HZ1 LYS 34 1HZ LYS 34 2.642 -11.154 -11.006 244 HZ2 LYS 34 2HZ LYS 34 2.647 -11.116 -9.316 245 HZ3 LYS 34 3HZ LYS 34 3.933 -10.436 -10.180 246 H ASP 35 H ASP 35 4.897 -9.927 -5.022 247 HA ASP 35 HA ASP 35 5.109 -12.731 -4.172 248 HB2 ASP 35 1HB ASP 35 7.302 -10.674 -3.987 249 HB3 ASP 35 2HB ASP 35 7.446 -12.429 -4.000 250 H VAL 36 H VAL 36 3.387 -10.717 -2.892 251 HA VAL 36 HA VAL 36 4.672 -10.078 -0.381 252 HB VAL 36 HB VAL 36 1.756 -9.799 -1.114 253 HG11 VAL 36 1HG1 VAL 36 2.240 -7.846 0.660 254 HG12 VAL 36 2HG1 VAL 36 1.684 -9.456 1.122 255 HG13 VAL 36 3HG1 VAL 36 3.398 -9.051 1.225 256 HG21 VAL 36 1HG2 VAL 36 4.050 -7.872 -1.442 257 HG22 VAL 36 2HG2 VAL 36 3.021 -8.541 -2.708 258 HG23 VAL 36 3HG2 VAL 36 2.351 -7.407 -1.535 259 H PHE 37 H PHE 37 4.097 -12.923 -1.360 260 HA PHE 37 HA PHE 37 2.145 -14.212 0.057 261 HB2 PHE 37 1HB PHE 37 4.923 -15.357 -0.126 262 HB3 PHE 37 2HB PHE 37 3.382 -16.203 -0.203 263 HD1 PHE 37 1HD PHE 37 1.989 -14.405 -2.166 264 HD2 PHE 37 2HD PHE 37 5.913 -16.055 -2.132 265 HE1 PHE 37 1HE PHE 37 2.052 -14.297 -4.623 266 HE2 PHE 37 2HE PHE 37 5.983 -15.948 -4.589 267 HZ PHE 37 HZ PHE 37 4.051 -15.068 -5.838 268 H ARG 38 H ARG 38 2.309 -15.551 2.031 269 HA ARG 38 HA ARG 38 2.985 -13.976 4.266 270 HB2 ARG 38 1HB ARG 38 1.301 -15.973 3.993 271 HB3 ARG 38 2HB ARG 38 2.681 -16.946 4.482 272 HG2 ARG 38 1HG ARG 38 2.835 -15.816 6.573 273 HG3 ARG 38 2HG ARG 38 1.645 -14.613 6.071 274 HD2 ARG 38 1HD ARG 38 -0.123 -16.095 6.259 275 HD3 ARG 38 2HD ARG 38 0.916 -17.510 6.098 276 HE ARG 38 HE ARG 38 0.289 -16.080 8.518 277 HH11 ARG 38 1HH1 ARG 38 2.532 -18.223 6.938 278 HH12 ARG 38 2HH1 ARG 38 3.143 -18.886 8.417 279 HH21 ARG 38 1HH2 ARG 38 1.084 -16.946 10.472 280 HH22 ARG 38 2HH2 ARG 38 2.317 -18.160 10.427 281 H GLU 39 H GLU 39 4.733 -13.922 5.579 282 HA GLU 39 HA GLU 39 6.855 -14.246 6.334 283 HB2 GLU 39 1HB GLU 39 6.649 -16.981 5.066 284 HB3 GLU 39 2HB GLU 39 7.790 -16.482 6.306 285 HG2 GLU 39 1HG GLU 39 5.687 -15.975 7.712 286 HG3 GLU 39 2HG GLU 39 4.858 -17.003 6.544 287 H ALA 40 H ALA 40 6.327 -13.146 3.684 288 HA ALA 40 HA ALA 40 8.885 -13.812 2.377 289 HB1 ALA 40 1HB ALA 40 6.707 -12.556 0.800 290 HB2 ALA 40 2HB ALA 40 7.947 -13.710 0.305 291 HB3 ALA 40 3HB ALA 40 6.544 -14.261 1.221 292 H THR 41 H THR 41 10.219 -12.157 1.771 293 HA THR 41 HA THR 41 9.700 -9.583 3.001 294 HB THR 41 HB THR 41 12.139 -10.485 1.457 295 HG1 THR 41 1HG THR 41 12.478 -11.645 3.192 296 HG21 THR 41 1HG2 THR 41 11.355 -7.946 2.451 297 HG22 THR 41 2HG2 THR 41 12.893 -8.407 1.721 298 HG23 THR 41 3HG2 THR 41 12.671 -8.536 3.465 299 H THR 42 H THR 42 8.287 -8.393 1.830 300 HA THR 42 HA THR 42 8.993 -7.868 -0.984 301 HB THR 42 HB THR 42 6.843 -9.150 -0.674 302 HG1 THR 42 1HG THR 42 7.072 -6.671 -1.980 303 HG21 THR 42 1HG2 THR 42 4.981 -8.217 0.338 304 HG22 THR 42 2HG2 THR 42 5.605 -6.573 0.206 305 HG23 THR 42 3HG2 THR 42 6.277 -7.677 1.404 306 H ASP 43 H ASP 43 8.746 -5.747 -1.744 307 HA ASP 43 HA ASP 43 7.955 -3.664 0.120 308 HB2 ASP 43 1HB ASP 43 10.025 -2.448 0.029 309 HB3 ASP 43 2HB ASP 43 10.388 -4.090 0.553 310 H PHE 44 H PHE 44 7.830 -1.536 -0.913 311 HA PHE 44 HA PHE 44 7.548 -1.726 -3.839 312 HB2 PHE 44 1HB PHE 44 5.606 -0.187 -3.654 313 HB3 PHE 44 2HB PHE 44 5.331 -1.733 -2.859 314 HD1 PHE 44 1HD PHE 44 5.934 1.846 -2.348 315 HD2 PHE 44 2HD PHE 44 5.071 -1.881 -0.482 316 HE1 PHE 44 1HE PHE 44 5.353 3.026 -0.269 317 HE2 PHE 44 2HE PHE 44 4.487 -0.707 1.600 318 HZ PHE 44 HZ PHE 44 4.627 1.750 1.708 319 H THR 45 H THR 45 7.319 0.593 -4.788 320 HA THR 45 HA THR 45 9.331 2.318 -3.497 321 HB THR 45 HB THR 45 8.911 1.889 -6.461 322 HG1 THR 45 1HG THR 45 11.323 1.385 -5.111 323 HG21 THR 45 1HG2 THR 45 10.384 3.927 -4.904 324 HG22 THR 45 2HG2 THR 45 9.677 4.025 -6.516 325 HG23 THR 45 3HG2 THR 45 11.233 3.230 -6.283 326 H VAL 46 H VAL 46 8.910 4.470 -3.354 327 HA VAL 46 HA VAL 46 6.270 5.353 -4.317 328 HB VAL 46 HB VAL 46 7.909 6.493 -2.048 329 HG11 VAL 46 1HG1 VAL 46 5.079 7.130 -2.120 330 HG12 VAL 46 2HG1 VAL 46 6.474 8.197 -1.945 331 HG13 VAL 46 3HG1 VAL 46 5.931 7.709 -3.551 332 HG21 VAL 46 1HG2 VAL 46 7.041 4.247 -1.559 333 HG22 VAL 46 2HG2 VAL 46 6.264 5.484 -0.570 334 HG23 VAL 46 3HG2 VAL 46 5.414 4.799 -1.955 335 H ASP 47 H ASP 47 6.252 6.757 -5.933 336 HA ASP 47 HA ASP 47 8.703 8.191 -6.616 337 HB2 ASP 47 1HB ASP 47 6.244 7.385 -8.083 338 HB3 ASP 47 2HB ASP 47 7.058 8.852 -8.619 339 H SER 48 H SER 48 8.995 10.187 -5.904 340 HA SER 48 HA SER 48 6.654 11.948 -5.629 341 HB2 SER 48 1HB SER 48 8.107 12.972 -3.678 342 HB3 SER 48 2HB SER 48 7.070 11.576 -3.385 343 HG SER 48 HG SER 48 8.785 10.310 -3.218 344 H ARG 49 H ARG 49 6.841 13.828 -6.659 345 HA ARG 49 HA ARG 49 9.517 14.633 -7.589 346 HB2 ARG 49 1HB ARG 49 6.860 14.600 -8.873 347 HB3 ARG 49 2HB ARG 49 7.819 16.044 -9.171 348 HG2 ARG 49 1HG ARG 49 9.563 14.795 -10.164 349 HG3 ARG 49 2HG ARG 49 8.880 13.267 -9.603 350 HD2 ARG 49 1HD ARG 49 7.048 13.438 -11.106 351 HD3 ARG 49 2HD ARG 49 7.446 15.109 -11.502 352 HE ARG 49 HE ARG 49 8.502 12.787 -12.729 353 HH11 ARG 49 1HH1 ARG 49 9.395 15.983 -11.676 354 HH12 ARG 49 2HH1 ARG 49 10.665 16.154 -12.842 355 HH21 ARG 49 1HH2 ARG 49 10.171 13.001 -14.269 356 HH22 ARG 49 2HH2 ARG 49 11.104 14.458 -14.318 357 HA PRO 50 HA PRO 50 7.528 18.836 -6.437 358 HB2 PRO 50 1HB PRO 50 4.903 18.891 -5.747 359 HB3 PRO 50 2HB PRO 50 5.460 19.028 -7.419 360 HG2 PRO 50 1HG PRO 50 4.403 16.634 -5.965 361 HG3 PRO 50 2HG PRO 50 4.048 17.190 -7.611 362 HD2 PRO 50 1HD PRO 50 5.791 15.183 -7.094 363 HD3 PRO 50 2HD PRO 50 5.990 16.290 -8.468 364 H LEU 51 H LEU 51 7.504 16.049 -4.705 365 HA LEU 51 HA LEU 51 6.973 17.404 -2.147 366 HB2 LEU 51 1HB LEU 51 7.263 14.442 -2.438 367 HB3 LEU 51 2HB LEU 51 6.406 15.360 -1.201 368 HG LEU 51 HG LEU 51 5.523 14.773 -4.018 369 HD11 LEU 51 1HD1 LEU 51 3.741 13.605 -3.015 370 HD12 LEU 51 2HD1 LEU 51 4.090 14.279 -1.423 371 HD13 LEU 51 3HD1 LEU 51 5.189 13.103 -2.143 372 HD21 LEU 51 1HD2 LEU 51 3.896 16.362 -3.938 373 HD22 LEU 51 2HD2 LEU 51 5.138 17.192 -3.000 374 HD23 LEU 51 3HD2 LEU 51 3.820 16.358 -2.176 375 H THR 52 H THR 52 9.249 15.277 -3.826 376 HA THR 52 HA THR 52 11.380 16.278 -2.088 377 HB THR 52 HB THR 52 10.598 14.078 -1.173 378 HG1 THR 52 1HG THR 52 12.839 13.175 -1.271 379 HG21 THR 52 1HG2 THR 52 11.874 12.837 -3.595 380 HG22 THR 52 2HG2 THR 52 10.141 13.155 -3.521 381 HG23 THR 52 3HG2 THR 52 10.889 12.068 -2.352 382 H GLN 53 H GLN 53 13.561 15.734 -2.950 383 HA GLN 53 HA GLN 53 13.555 15.345 -5.864 384 HB2 GLN 53 1HB GLN 53 15.122 17.453 -4.367 385 HB3 GLN 53 2HB GLN 53 15.263 17.109 -6.086 386 HG2 GLN 53 1HG GLN 53 12.696 17.974 -4.785 387 HG3 GLN 53 2HG GLN 53 13.864 19.100 -5.475 388 HE21 GLN 53 1HE2 GLN 53 11.194 17.169 -6.075 389 HE22 GLN 53 2HE2 GLN 53 11.203 17.241 -7.801 390 H VAL 54 H VAL 54 15.335 15.225 -2.832 391 HA VAL 54 HA VAL 54 17.121 13.222 -4.044 392 HB VAL 54 HB VAL 54 18.977 14.010 -2.709 393 HG11 VAL 54 1HG1 VAL 54 18.665 16.604 -3.644 394 HG12 VAL 54 2HG1 VAL 54 19.375 15.246 -4.519 395 HG13 VAL 54 3HG1 VAL 54 17.664 15.628 -4.718 396 HG21 VAL 54 1HG2 VAL 54 18.768 15.314 -0.915 397 HG22 VAL 54 2HG2 VAL 54 17.859 16.527 -1.816 398 HG23 VAL 54 3HG2 VAL 54 17.022 15.149 -1.102 399 H GLY 55 H GLY 55 14.716 12.652 -2.686 400 HA2 GLY 55 1HA GLY 55 14.055 11.021 -1.184 401 HA3 GLY 55 2HA GLY 55 15.727 10.874 -0.665 402 H GLY 56 H GLY 56 13.741 10.731 1.196 403 HA2 GLY 56 1HA GLY 56 14.469 12.863 2.960 404 HA3 GLY 56 2HA GLY 56 12.809 13.017 2.404 405 H ASP 57 H ASP 57 12.648 12.821 4.875 406 HA ASP 57 HA ASP 57 12.158 9.989 5.500 407 HB2 ASP 57 1HB ASP 57 14.229 11.086 6.629 408 HB3 ASP 57 2HB ASP 57 13.039 11.915 7.629 409 H HIS 58 H HIS 58 10.290 11.854 4.481 410 HA HIS 58 HA HIS 58 8.594 12.402 6.823 411 HB2 HIS 58 1HB HIS 58 8.900 13.722 4.166 412 HB3 HIS 58 2HB HIS 58 7.313 13.756 4.929 413 HD1 HIS 58 1HD HIS 58 7.338 16.247 5.446 414 HD2 HIS 58 2HD HIS 58 10.583 14.203 7.044 415 HE1 HIS 58 1HE HIS 58 8.449 17.869 7.014 416 H ILE 59 H ILE 59 8.940 9.800 5.476 417 HA ILE 59 HA ILE 59 6.192 9.405 4.487 418 HB ILE 59 HB ILE 59 8.688 7.811 3.904 419 HG12 ILE 59 1HG1 ILE 59 8.467 9.895 2.623 420 HG13 ILE 59 2HG1 ILE 59 8.266 8.490 1.583 421 HG21 ILE 59 1HG2 ILE 59 7.098 6.143 3.994 422 HG22 ILE 59 2HG2 ILE 59 5.801 7.205 3.447 423 HG23 ILE 59 3HG2 ILE 59 7.011 6.629 2.301 424 HD11 ILE 59 1HD1 ILE 59 5.713 8.913 2.162 425 HD12 ILE 59 2HD1 ILE 59 6.313 10.558 2.381 426 HD13 ILE 59 3HD1 ILE 59 6.536 9.737 0.837 427 H LYS 60 H LYS 60 4.962 7.723 5.296 428 HA LYS 60 HA LYS 60 6.050 5.907 7.260 429 HB2 LYS 60 1HB LYS 60 5.575 7.995 8.552 430 HB3 LYS 60 2HB LYS 60 3.884 7.845 8.092 431 HG2 LYS 60 1HG LYS 60 3.803 6.853 10.130 432 HG3 LYS 60 2HG LYS 60 4.184 5.439 9.145 433 HD2 LYS 60 1HD LYS 60 6.606 5.865 9.632 434 HD3 LYS 60 2HD LYS 60 6.094 7.109 10.775 435 HE2 LYS 60 1HE LYS 60 5.093 4.281 10.936 436 HE3 LYS 60 2HE LYS 60 6.595 4.786 11.708 437 HZ1 LYS 60 1HZ LYS 60 4.164 6.345 12.216 438 HZ2 LYS 60 2HZ LYS 60 5.495 6.068 13.222 439 HZ3 LYS 60 3HZ LYS 60 4.340 4.853 12.995 440 H ALA 61 H ALA 61 4.918 4.039 7.349 441 HA ALA 61 HA ALA 61 2.235 3.985 6.147 442 HB1 ALA 61 1HB ALA 61 4.018 1.669 5.640 443 HB2 ALA 61 2HB ALA 61 2.726 2.346 4.647 444 HB3 ALA 61 3HB ALA 61 4.299 3.141 4.709 445 H HIS 62 H HIS 62 0.997 2.031 6.712 446 HA HIS 62 HA HIS 62 1.903 0.514 9.009 447 HB2 HIS 62 1HB HIS 62 0.991 2.521 10.068 448 HB3 HIS 62 2HB HIS 62 -0.518 2.322 9.182 449 HD1 HIS 62 1HD HIS 62 0.465 2.015 12.430 450 HD2 HIS 62 2HD HIS 62 -1.301 -0.705 9.833 451 HE1 HIS 62 1HE HIS 62 -0.634 0.297 13.901 452 H ILE 63 H ILE 63 1.509 -1.475 8.283 453 HA ILE 63 HA ILE 63 -0.721 -2.050 6.549 454 HB ILE 63 HB ILE 63 1.369 -3.841 7.785 455 HG12 ILE 63 1HG1 ILE 63 1.005 -3.205 4.869 456 HG13 ILE 63 2HG1 ILE 63 1.916 -2.126 5.920 457 HG21 ILE 63 1HG2 ILE 63 -1.125 -4.476 6.387 458 HG22 ILE 63 2HG2 ILE 63 0.305 -5.271 5.730 459 HG23 ILE 63 3HG2 ILE 63 -0.119 -5.481 7.429 460 HD11 ILE 63 1HD1 ILE 63 2.781 -4.849 6.252 461 HD12 ILE 63 2HD1 ILE 63 2.865 -4.354 4.561 462 HD13 ILE 63 3HD1 ILE 63 3.706 -3.418 5.797 463 H ALA 64 H ALA 64 -2.502 -3.326 7.005 464 HA ALA 64 HA ALA 64 -2.936 -4.032 9.828 465 HB1 ALA 64 1HB ALA 64 -5.406 -3.378 9.295 466 HB2 ALA 64 2HB ALA 64 -4.237 -2.135 9.742 467 HB3 ALA 64 3HB ALA 64 -4.665 -2.375 8.048 468 H ASN 65 H ASN 65 -3.051 -6.182 9.856 469 HA ASN 65 HA ASN 65 -3.783 -7.772 7.633 470 HB2 ASN 65 1HB ASN 65 -3.416 -8.381 10.564 471 HB3 ASN 65 2HB ASN 65 -3.885 -9.621 9.404 472 HD21 ASN 65 1HD2 ASN 65 -1.502 -9.520 10.988 473 HD22 ASN 65 2HD2 ASN 65 -0.167 -9.473 9.892 474 HA PRO 66 HA PRO 66 -8.166 -7.916 7.878 475 HB2 PRO 66 1HB PRO 66 -8.640 -10.428 6.965 476 HB3 PRO 66 2HB PRO 66 -8.109 -9.109 5.916 477 HG2 PRO 66 1HG PRO 66 -6.501 -11.313 7.149 478 HG3 PRO 66 2HG PRO 66 -6.425 -10.658 5.502 479 HD2 PRO 66 1HD PRO 66 -4.649 -9.971 7.427 480 HD3 PRO 66 2HD PRO 66 -5.150 -8.849 6.146 481 H SER 67 H SER 67 -6.203 -9.655 9.927 482 HA SER 67 HA SER 67 -8.450 -10.966 11.291 483 HB2 SER 67 1HB SER 67 -5.511 -11.468 11.187 484 HB3 SER 67 2HB SER 67 -6.372 -11.904 12.663 485 HG SER 67 HG SER 67 -6.289 -13.209 10.336 486 H GLY 68 H GLY 68 -6.278 -8.324 11.501 487 HA2 GLY 68 1HA GLY 68 -7.146 -6.612 13.136 488 HA3 GLY 68 2HA GLY 68 -7.033 -7.900 14.326 489 H ALA 69 H ALA 69 -4.516 -8.880 13.031 490 HA ALA 69 HA ALA 69 -2.703 -7.368 14.630 491 HB1 ALA 69 1HB ALA 69 -0.980 -8.851 13.463 492 HB2 ALA 69 2HB ALA 69 -2.202 -9.648 14.453 493 HB3 ALA 69 3HB ALA 69 -2.360 -9.638 12.697 494 H SER 70 H SER 70 -0.575 -6.593 13.671 495 HA SER 70 HA SER 70 -0.945 -5.332 11.048 496 HB2 SER 70 1HB SER 70 0.146 -3.820 13.426 497 HB3 SER 70 2HB SER 70 -0.269 -3.177 11.837 498 HG SER 70 HG SER 70 -2.343 -3.201 12.347 499 H THR 71 H THR 71 0.824 -5.357 9.792 500 HA THR 71 HA THR 71 3.223 -6.619 10.866 501 HB THR 71 HB THR 71 2.727 -5.851 7.990 502 HG1 THR 71 1HG THR 71 1.066 -7.274 8.934 503 HG21 THR 71 1HG2 THR 71 4.987 -6.417 8.270 504 HG22 THR 71 2HG2 THR 71 4.238 -7.906 7.696 505 HG23 THR 71 3HG2 THR 71 4.614 -7.711 9.407 506 H GLU 72 H GLU 72 4.947 -5.490 11.458 507 HA GLU 72 HA GLU 72 5.120 -2.712 11.372 508 HB2 GLU 72 1HB GLU 72 6.433 -4.421 12.803 509 HB3 GLU 72 2HB GLU 72 7.560 -4.464 11.455 510 HG2 GLU 72 1HG GLU 72 7.879 -2.037 11.669 511 HG3 GLU 72 2HG GLU 72 6.796 -2.036 13.060 512 H CYS 73 H CYS 73 5.817 -1.274 9.910 513 HA CYS 73 HA CYS 73 6.828 -2.321 7.359 514 HB2 CYS 73 1HB CYS 73 5.615 0.388 7.944 515 HB3 CYS 73 2HB CYS 73 6.042 -0.243 6.358 516 HG CYS 73 HG CYS 73 3.457 -1.187 8.368 517 H PHE 74 H PHE 74 8.682 -1.524 6.422 518 HA PHE 74 HA PHE 74 10.310 0.265 8.105 519 HB2 PHE 74 1HB PHE 74 11.329 -1.989 6.365 520 HB3 PHE 74 2HB PHE 74 12.295 -0.958 7.415 521 HD1 PHE 74 1HD PHE 74 9.288 -3.159 7.665 522 HD2 PHE 74 2HD PHE 74 12.941 -1.854 9.418 523 HE1 PHE 74 1HE PHE 74 8.965 -4.749 9.515 524 HE2 PHE 74 2HE PHE 74 12.625 -3.443 11.269 525 HZ PHE 74 HZ PHE 74 10.635 -4.894 11.319 526 H VAL 75 H VAL 75 10.270 2.183 7.108 527 HA VAL 75 HA VAL 75 10.233 2.369 4.214 528 HB VAL 75 HB VAL 75 9.993 4.752 4.516 529 HG11 VAL 75 1HG1 VAL 75 8.108 4.436 6.514 530 HG12 VAL 75 2HG1 VAL 75 7.852 4.187 4.785 531 HG13 VAL 75 3HG1 VAL 75 8.264 2.821 5.823 532 HG21 VAL 75 1HG2 VAL 75 11.500 5.245 6.270 533 HG22 VAL 75 2HG2 VAL 75 9.898 5.669 6.875 534 HG23 VAL 75 3HG2 VAL 75 10.666 4.168 7.390 535 H THR 76 H THR 76 11.914 2.851 2.932 536 HA THR 76 HA THR 76 14.419 3.762 4.171 537 HB THR 76 HB THR 76 14.230 1.559 2.107 538 HG1 THR 76 1HG THR 76 14.226 0.263 3.771 539 HG21 THR 76 1HG2 THR 76 16.220 3.078 1.932 540 HG22 THR 76 2HG2 THR 76 16.612 1.391 2.265 541 HG23 THR 76 3HG2 THR 76 16.665 2.582 3.564 542 H ASP 77 H ASP 77 14.959 5.631 3.276 543 HA ASP 77 HA ASP 77 13.981 6.342 0.636 544 HB2 ASP 77 1HB ASP 77 14.751 8.569 1.127 545 HB3 ASP 77 2HB ASP 77 13.919 7.951 2.551 546 H ASN 78 H ASN 78 15.141 6.313 -1.184 547 HA ASN 78 HA ASN 78 17.846 5.290 -1.097 548 HB2 ASN 78 1HB ASN 78 16.041 6.004 -3.418 549 HB3 ASN 78 2HB ASN 78 17.640 5.283 -3.585 550 HD21 ASN 78 1HD2 ASN 78 14.334 4.744 -2.928 551 HD22 ASN 78 2HD2 ASN 78 14.421 3.032 -2.709 552 H ALA 79 H ALA 79 16.966 8.143 -0.317 553 HA ALA 79 HA ALA 79 17.668 10.309 -0.606 554 HB1 ALA 79 1HB ALA 79 19.697 8.751 0.219 555 HB2 ALA 79 2HB ALA 79 20.402 9.413 -1.257 556 HB3 ALA 79 3HB ALA 79 19.831 10.498 0.012 557 H ASP 80 H ASP 80 16.610 9.181 -3.005 558 HA ASP 80 HA ASP 80 18.185 10.679 -4.994 559 HB2 ASP 80 1HB ASP 80 18.343 8.218 -5.346 560 HB3 ASP 80 2HB ASP 80 16.592 8.163 -5.531 561 H GLY 81 H GLY 81 15.035 9.731 -3.790 562 HA2 GLY 81 1HA GLY 81 13.605 11.937 -4.091 563 HA3 GLY 81 2HA GLY 81 13.675 11.401 -5.763 564 H THR 82 H THR 82 13.745 8.583 -4.294 565 HA THR 82 HA THR 82 10.818 8.400 -3.997 566 HB THR 82 HB THR 82 10.910 6.138 -4.948 567 HG1 THR 82 1HG THR 82 13.190 5.812 -4.387 568 HG21 THR 82 1HG2 THR 82 12.163 7.252 -7.217 569 HG22 THR 82 2HG2 THR 82 11.371 8.581 -6.369 570 HG23 THR 82 3HG2 THR 82 10.438 7.169 -6.864 571 H TYR 83 H TYR 83 10.120 6.455 -2.743 572 HA TYR 83 HA TYR 83 12.042 5.871 -0.585 573 HB2 TYR 83 1HB TYR 83 9.038 6.033 -0.290 574 HB3 TYR 83 2HB TYR 83 10.226 5.856 0.997 575 HD1 TYR 83 1HD TYR 83 8.814 8.190 -1.483 576 HD2 TYR 83 2HD TYR 83 11.392 7.751 1.873 577 HE1 TYR 83 1HE TYR 83 8.908 10.636 -1.243 578 HE2 TYR 83 2HE TYR 83 11.492 10.196 2.123 579 HH TYR 83 HH TYR 83 10.709 12.153 1.411 580 H GLN 84 H GLN 84 11.933 3.798 0.382 581 HA GLN 84 HA GLN 84 10.450 1.779 -1.161 582 HB2 GLN 84 1HB GLN 84 12.968 1.956 -1.668 583 HB3 GLN 84 2HB GLN 84 13.205 1.268 -0.067 584 HG2 GLN 84 1HG GLN 84 13.236 -0.639 -1.285 585 HG3 GLN 84 2HG GLN 84 11.502 -0.532 -0.984 586 HE21 GLN 84 1HE2 GLN 84 10.572 -1.325 -2.743 587 HE22 GLN 84 2HE2 GLN 84 10.893 -0.822 -4.364 588 H VAL 85 H VAL 85 8.962 1.034 0.208 589 HA VAL 85 HA VAL 85 9.667 0.657 3.030 590 HB VAL 85 HB VAL 85 6.949 0.567 1.713 591 HG11 VAL 85 1HG1 VAL 85 6.122 -0.200 3.628 592 HG12 VAL 85 2HG1 VAL 85 7.779 -0.470 4.171 593 HG13 VAL 85 3HG1 VAL 85 6.961 1.046 4.552 594 HG21 VAL 85 1HG2 VAL 85 7.974 2.802 1.667 595 HG22 VAL 85 2HG2 VAL 85 6.569 2.739 2.732 596 HG23 VAL 85 3HG2 VAL 85 8.195 2.724 3.415 597 H GLU 86 H GLU 86 10.216 -1.300 3.702 598 HA GLU 86 HA GLU 86 9.273 -3.632 2.171 599 HB2 GLU 86 1HB GLU 86 11.692 -3.401 2.126 600 HB3 GLU 86 2HB GLU 86 11.743 -3.306 3.881 601 HG2 GLU 86 1HG GLU 86 10.637 -5.638 3.805 602 HG3 GLU 86 2HG GLU 86 11.203 -5.669 2.136 603 H TYR 87 H TYR 87 8.146 -5.205 3.170 604 HA TYR 87 HA TYR 87 8.103 -5.392 6.066 605 HB2 TYR 87 1HB TYR 87 5.751 -5.066 6.326 606 HB3 TYR 87 2HB TYR 87 6.363 -3.681 5.430 607 HD1 TYR 87 2HD TYR 87 4.489 -6.852 5.123 608 HD2 TYR 87 1HD TYR 87 5.596 -3.204 3.232 609 HE1 TYR 87 2HE TYR 87 2.831 -7.272 3.355 610 HE2 TYR 87 1HE TYR 87 3.940 -3.614 1.460 611 HH TYR 87 HH TYR 87 2.671 -5.325 0.485 612 H THR 88 H THR 88 7.229 -7.354 6.839 613 HA THR 88 HA THR 88 6.788 -9.394 4.755 614 HB THR 88 HB THR 88 8.018 -9.986 7.443 615 HG1 THR 88 1HG THR 88 9.228 -9.106 5.043 616 HG21 THR 88 1HG2 THR 88 6.945 -11.733 5.805 617 HG22 THR 88 2HG2 THR 88 8.477 -12.085 6.605 618 HG23 THR 88 3HG2 THR 88 8.462 -11.536 4.929 619 HA PRO 89 HA PRO 89 2.908 -9.499 7.083 620 HB2 PRO 89 1HB PRO 89 1.536 -10.812 5.143 621 HB3 PRO 89 2HB PRO 89 1.821 -9.068 5.105 622 HG2 PRO 89 1HG PRO 89 3.279 -11.256 3.674 623 HG3 PRO 89 2HG PRO 89 2.756 -9.675 3.065 624 HD2 PRO 89 1HD PRO 89 5.306 -10.172 3.828 625 HD3 PRO 89 2HD PRO 89 4.548 -8.577 4.011 626 H PHE 90 H PHE 90 2.392 -11.005 8.537 627 HA PHE 90 HA PHE 90 3.338 -13.750 8.107 628 HB2 PHE 90 1HB PHE 90 2.704 -13.843 10.666 629 HB3 PHE 90 2HB PHE 90 4.219 -13.116 10.141 630 HD1 PHE 90 1HD PHE 90 0.751 -12.346 11.170 631 HD2 PHE 90 2HD PHE 90 4.697 -10.864 10.582 632 HE1 PHE 90 1HE PHE 90 0.128 -10.249 12.297 633 HE2 PHE 90 2HE PHE 90 4.081 -8.766 11.709 634 HZ PHE 90 HZ PHE 90 1.794 -8.456 12.569 635 H GLU 91 H GLU 91 0.898 -12.660 6.907 636 HA GLU 91 HA GLU 91 -0.867 -14.810 7.599 637 HB2 GLU 91 1HB GLU 91 -1.492 -12.001 8.437 638 HB3 GLU 91 2HB GLU 91 -2.796 -13.087 7.978 639 HG2 GLU 91 1HG GLU 91 -1.694 -14.707 9.680 640 HG3 GLU 91 2HG GLU 91 -0.935 -13.243 10.303 641 H LYS 92 H LYS 92 -1.913 -15.433 5.823 642 HA LYS 92 HA LYS 92 -1.669 -13.870 3.413 643 HB2 LYS 92 1HB LYS 92 -3.046 -16.520 3.891 644 HB3 LYS 92 2HB LYS 92 -2.720 -15.805 2.317 645 HG2 LYS 92 1HG LYS 92 -0.303 -15.928 2.800 646 HG3 LYS 92 2HG LYS 92 -0.677 -16.737 4.323 647 HD2 LYS 92 1HD LYS 92 -1.730 -18.567 3.116 648 HD3 LYS 92 2HD LYS 92 -1.436 -17.746 1.581 649 HE2 LYS 92 1HE LYS 92 0.249 -19.415 1.853 650 HE3 LYS 92 2HE LYS 92 1.007 -17.841 2.090 651 HZ1 LYS 92 1HZ LYS 92 0.004 -19.351 4.409 652 HZ2 LYS 92 2HZ LYS 92 1.232 -18.190 4.341 653 HZ3 LYS 92 3HZ LYS 92 1.505 -19.745 3.735 654 H GLY 93 H GLY 93 -3.020 -12.221 3.088 655 HA2 GLY 93 1HA GLY 93 -5.738 -12.525 2.621 656 HA3 GLY 93 2HA GLY 93 -5.583 -12.009 4.294 657 H LEU 94 H LEU 94 -6.964 -10.323 2.891 658 HA LEU 94 HA LEU 94 -5.311 -8.356 1.567 659 HB2 LEU 94 1HB LEU 94 -7.461 -8.663 0.638 660 HB3 LEU 94 2HB LEU 94 -8.241 -8.524 2.212 661 HG LEU 94 HG LEU 94 -7.613 -6.121 2.253 662 HD11 LEU 94 1HD1 LEU 94 -6.735 -5.030 0.350 663 HD12 LEU 94 2HD1 LEU 94 -6.894 -6.477 -0.645 664 HD13 LEU 94 3HD1 LEU 94 -5.693 -6.422 0.645 665 HD21 LEU 94 1HD2 LEU 94 -9.406 -5.430 0.930 666 HD22 LEU 94 2HD2 LEU 94 -9.801 -7.100 1.338 667 HD23 LEU 94 3HD2 LEU 94 -9.149 -6.711 -0.255 668 H HIS 95 H HIS 95 -4.151 -6.940 2.678 669 HA HIS 95 HA HIS 95 -5.063 -6.120 5.345 670 HB2 HIS 95 1HB HIS 95 -2.367 -5.367 4.331 671 HB3 HIS 95 2HB HIS 95 -2.870 -5.823 5.956 672 HD2 HIS 95 2HD HIS 95 -0.525 -7.227 3.656 673 HE1 HIS 95 1HE HIS 95 -2.653 -10.663 4.947 674 HE2 HIS 95 2HE HIS 95 -0.540 -9.804 3.880 675 H VAL 96 H VAL 96 -4.805 -3.863 5.965 676 HA VAL 96 HA VAL 96 -5.297 -2.062 3.686 677 HB VAL 96 HB VAL 96 -6.224 -1.822 6.552 678 HG11 VAL 96 1HG1 VAL 96 -5.643 0.265 4.902 679 HG12 VAL 96 2HG1 VAL 96 -7.348 -0.010 4.542 680 HG13 VAL 96 3HG1 VAL 96 -6.836 0.307 6.200 681 HG21 VAL 96 1HG2 VAL 96 -8.456 -1.775 5.037 682 HG22 VAL 96 2HG2 VAL 96 -7.439 -2.842 4.068 683 HG23 VAL 96 3HG2 VAL 96 -7.785 -3.242 5.750 684 H VAL 97 H VAL 97 -3.405 -1.106 3.213 685 HA VAL 97 HA VAL 97 -1.620 -0.245 5.351 686 HB VAL 97 HB VAL 97 -1.309 -0.213 2.348 687 HG11 VAL 97 1HG1 VAL 97 1.171 0.243 3.180 688 HG12 VAL 97 2HG1 VAL 97 0.039 1.555 2.844 689 HG13 VAL 97 3HG1 VAL 97 0.310 1.026 4.505 690 HG21 VAL 97 1HG2 VAL 97 -0.660 -2.318 2.648 691 HG22 VAL 97 2HG2 VAL 97 0.709 -1.709 3.579 692 HG23 VAL 97 3HG2 VAL 97 -0.785 -2.162 4.400 693 H GLU 98 H GLU 98 -1.523 1.774 6.089 694 HA GLU 98 HA GLU 98 -2.984 3.860 4.617 695 HB2 GLU 98 1HB GLU 98 -2.404 3.449 7.535 696 HB3 GLU 98 2HB GLU 98 -2.810 5.045 6.920 697 HG2 GLU 98 1HG GLU 98 -4.967 4.432 6.370 698 HG3 GLU 98 2HG GLU 98 -4.572 2.715 6.308 699 H VAL 99 H VAL 99 -1.738 5.182 3.485 700 HA VAL 99 HA VAL 99 0.993 5.729 4.432 701 HB VAL 99 HB VAL 99 -0.174 6.123 1.672 702 HG11 VAL 99 1HG1 VAL 99 2.660 6.418 2.664 703 HG12 VAL 99 2HG1 VAL 99 2.135 6.552 0.984 704 HG13 VAL 99 3HG1 VAL 99 1.589 7.731 2.177 705 HG21 VAL 99 1HG2 VAL 99 1.942 4.266 1.661 706 HG22 VAL 99 2HG2 VAL 99 0.869 3.800 2.980 707 HG23 VAL 99 3HG2 VAL 99 0.234 3.964 1.343 708 H THR 100 H THR 100 1.594 7.731 5.005 709 HA THR 100 HA THR 100 -0.166 9.985 4.331 710 HB THR 100 HB THR 100 0.323 10.885 6.673 711 HG1 THR 100 1HG THR 100 1.759 8.706 6.826 712 HG21 THR 100 1HG2 THR 100 -1.460 9.310 7.691 713 HG22 THR 100 2HG2 THR 100 -1.499 8.575 6.088 714 HG23 THR 100 3HG2 THR 100 -1.895 10.281 6.285 715 H TYR 101 H TYR 101 0.917 11.650 3.508 716 HA TYR 101 HA TYR 101 3.824 11.785 3.969 717 HB2 TYR 101 1HB TYR 101 3.040 11.335 1.612 718 HB3 TYR 101 2HB TYR 101 2.319 12.941 1.617 719 HD1 TYR 101 1HD TYR 101 4.041 14.847 2.427 720 HD2 TYR 101 2HD TYR 101 5.122 11.134 0.651 721 HE1 TYR 101 1HE TYR 101 6.187 15.817 1.718 722 HE2 TYR 101 2HE TYR 101 7.271 12.094 -0.061 723 HH TYR 101 HH TYR 101 8.777 13.975 0.660 724 H ASP 102 H ASP 102 4.190 13.250 5.510 725 HA ASP 102 HA ASP 102 4.283 15.244 6.602 726 HB2 ASP 102 1HB ASP 102 4.794 16.075 4.288 727 HB3 ASP 102 2HB ASP 102 3.081 16.436 4.097 728 H ASP 103 H ASP 103 2.212 13.737 7.355 729 HA ASP 103 HA ASP 103 0.213 13.786 8.438 730 HB2 ASP 103 1HB ASP 103 0.409 16.794 8.204 731 HB3 ASP 103 2HB ASP 103 -0.533 15.878 9.377 732 H VAL 104 H VAL 104 0.335 13.756 5.500 733 HA VAL 104 HA VAL 104 -2.463 14.445 5.016 734 HB VAL 104 HB VAL 104 -0.238 15.294 3.155 735 HG11 VAL 104 1HG1 VAL 104 -3.231 15.599 2.938 736 HG12 VAL 104 2HG1 VAL 104 -2.053 16.349 1.859 737 HG13 VAL 104 3HG1 VAL 104 -2.199 14.592 1.923 738 HG21 VAL 104 1HG2 VAL 104 -0.337 16.760 5.065 739 HG22 VAL 104 2HG2 VAL 104 -1.030 17.588 3.670 740 HG23 VAL 104 3HG2 VAL 104 -2.088 16.909 4.907 741 HA PRO 105 HA PRO 105 -1.908 10.277 3.414 742 HB2 PRO 105 1HB PRO 105 -4.565 9.758 3.214 743 HB3 PRO 105 2HB PRO 105 -3.680 9.662 4.741 744 HG2 PRO 105 1HG PRO 105 -5.405 11.871 3.687 745 HG3 PRO 105 2HG PRO 105 -5.330 11.194 5.324 746 HD2 PRO 105 1HD PRO 105 -4.102 13.511 4.647 747 HD3 PRO 105 2HD PRO 105 -3.449 12.407 5.875 748 H ILE 106 H ILE 106 -2.094 9.361 1.384 749 HA ILE 106 HA ILE 106 -2.586 11.197 -0.784 750 HB ILE 106 HB ILE 106 -2.004 9.166 -2.208 751 HG12 ILE 106 1HG1 ILE 106 -1.075 8.023 0.426 752 HG13 ILE 106 2HG1 ILE 106 -2.593 7.553 -0.329 753 HG21 ILE 106 1HG2 ILE 106 -0.320 10.771 -0.457 754 HG22 ILE 106 2HG2 ILE 106 0.439 9.259 -0.950 755 HG23 ILE 106 3HG2 ILE 106 -0.139 10.393 -2.170 756 HD11 ILE 106 1HD1 ILE 106 -0.806 7.228 -2.368 757 HD12 ILE 106 2HD1 ILE 106 0.136 6.759 -0.952 758 HD13 ILE 106 3HD1 ILE 106 -1.393 5.952 -1.301 759 HA PRO 107 HA PRO 107 -6.667 10.030 -1.902 760 HB2 PRO 107 1HB PRO 107 -6.548 10.100 -4.613 761 HB3 PRO 107 2HB PRO 107 -6.522 11.557 -3.613 762 HG2 PRO 107 1HG PRO 107 -4.244 10.099 -4.896 763 HG3 PRO 107 2HG PRO 107 -4.543 11.844 -4.800 764 HD2 PRO 107 1HD PRO 107 -2.804 10.571 -3.160 765 HD3 PRO 107 2HD PRO 107 -3.738 11.990 -2.645 766 H ASN 108 H ASN 108 -4.185 7.945 -2.152 767 HA ASN 108 HA ASN 108 -5.766 5.880 -3.531 768 HB2 ASN 108 1HB ASN 108 -2.785 5.999 -3.018 769 HB3 ASN 108 2HB ASN 108 -3.623 4.673 -3.819 770 HD21 ASN 108 1HD2 ASN 108 -3.096 8.163 -4.025 771 HD22 ASN 108 2HD2 ASN 108 -3.116 8.240 -5.751 772 H SER 109 H SER 109 -4.599 6.904 -0.515 773 HA SER 109 HA SER 109 -4.672 4.240 0.668 774 HB2 SER 109 1HB SER 109 -2.885 5.532 1.518 775 HB3 SER 109 2HB SER 109 -3.899 6.961 1.711 776 HG SER 109 HG SER 109 -5.059 5.719 3.330 777 HA PRO 110 HA PRO 110 -4.901 3.501 2.834 778 HB2 PRO 110 1HB PRO 110 -6.527 1.399 3.388 779 HB3 PRO 110 2HB PRO 110 -6.288 2.749 4.504 780 HG2 PRO 110 1HG PRO 110 -8.536 2.248 2.592 781 HG3 PRO 110 2HG PRO 110 -8.600 2.824 4.268 782 HD2 PRO 110 1HD PRO 110 -8.818 4.491 2.146 783 HD3 PRO 110 2HD PRO 110 -8.071 4.988 3.678 784 H PHE 111 H PHE 111 -4.131 1.414 2.067 785 HA PHE 111 HA PHE 111 -4.897 0.960 -0.728 786 HB2 PHE 111 1HB PHE 111 -2.383 0.460 0.837 787 HB3 PHE 111 2HB PHE 111 -2.681 -0.404 -0.668 788 HD1 PHE 111 1HD PHE 111 -3.333 1.105 -2.708 789 HD2 PHE 111 2HD PHE 111 -1.292 2.482 0.765 790 HE1 PHE 111 1HE PHE 111 -2.465 3.022 -3.982 791 HE2 PHE 111 2HE PHE 111 -0.422 4.402 -0.504 792 HZ PHE 111 HZ PHE 111 -1.009 4.675 -2.880 793 H LYS 112 H LYS 112 -4.658 -1.357 -1.483 794 HA LYS 112 HA LYS 112 -5.593 -3.247 0.569 795 HB2 LYS 112 1HB LYS 112 -6.864 -2.508 -2.025 796 HB3 LYS 112 2HB LYS 112 -6.955 -4.188 -1.511 797 HG2 LYS 112 1HG LYS 112 -8.210 -3.669 0.381 798 HG3 LYS 112 2HG LYS 112 -7.760 -1.964 0.325 799 HD2 LYS 112 1HD LYS 112 -9.007 -1.867 -1.890 800 HD3 LYS 112 2HD LYS 112 -9.661 -3.452 -1.470 801 HE2 LYS 112 1HE LYS 112 -10.845 -2.617 0.349 802 HE3 LYS 112 2HE LYS 112 -9.848 -1.167 0.456 803 HZ1 LYS 112 1HZ LYS 112 -12.070 -1.762 -1.371 804 HZ2 LYS 112 2HZ LYS 112 -10.854 -0.702 -1.878 805 HZ3 LYS 112 3HZ LYS 112 -11.754 -0.354 -0.488 806 H VAL 113 H VAL 113 -3.915 -4.604 0.745 807 HA VAL 113 HA VAL 113 -2.621 -5.572 -1.712 808 HB VAL 113 HB VAL 113 -1.666 -5.652 1.152 809 HG11 VAL 113 1HG1 VAL 113 0.384 -6.276 -0.718 810 HG12 VAL 113 2HG1 VAL 113 -0.254 -7.270 0.593 811 HG13 VAL 113 3HG1 VAL 113 -0.985 -7.349 -1.011 812 HG21 VAL 113 1HG2 VAL 113 -0.667 -4.122 -1.248 813 HG22 VAL 113 2HG2 VAL 113 -1.529 -3.443 0.133 814 HG23 VAL 113 3HG2 VAL 113 0.081 -4.130 0.350 815 H ALA 114 H ALA 114 -3.765 -7.294 -2.407 816 HA ALA 114 HA ALA 114 -4.791 -9.257 -0.535 817 HB1 ALA 114 1HB ALA 114 -5.186 -8.625 -3.381 818 HB2 ALA 114 2HB ALA 114 -5.291 -10.335 -2.960 819 HB3 ALA 114 3HB ALA 114 -6.342 -9.164 -2.163 820 H VAL 115 H VAL 115 -3.242 -10.519 0.330 821 HA VAL 115 HA VAL 115 -0.993 -11.446 -1.223 822 HB VAL 115 HB VAL 115 -1.857 -12.110 1.594 823 HG11 VAL 115 1HG1 VAL 115 0.625 -12.854 1.697 824 HG12 VAL 115 2HG1 VAL 115 -0.576 -13.949 1.010 825 HG13 VAL 115 3HG1 VAL 115 0.473 -13.009 -0.053 826 HG21 VAL 115 1HG2 VAL 115 -1.172 -9.937 1.768 827 HG22 VAL 115 2HG2 VAL 115 0.384 -10.749 1.940 828 HG23 VAL 115 3HG2 VAL 115 -0.081 -10.053 0.388 829 H THR 116 H THR 116 -0.493 -13.636 -1.656 830 HA THR 116 HA THR 116 -2.683 -15.565 -1.416 831 HB THR 116 HB THR 116 -2.918 -14.560 -3.652 832 HG1 THR 116 1HG THR 116 -3.567 -16.584 -3.872 833 HG21 THR 116 1HG2 THR 116 -0.758 -13.847 -4.242 834 HG22 THR 116 2HG2 THR 116 -1.088 -15.196 -5.329 835 HG23 THR 116 3HG2 THR 116 -0.053 -15.430 -3.920 836 H GLU 117 H GLU 117 -2.041 -17.734 -1.418 837 HA GLU 117 HA GLU 117 0.299 -18.408 -0.177 838 HB2 GLU 117 1HB GLU 117 -1.302 -20.091 -2.111 839 HB3 GLU 117 2HB GLU 117 -0.071 -20.720 -1.025 840 HG2 GLU 117 1HG GLU 117 -1.984 -21.152 0.154 841 HG3 GLU 117 2HG GLU 117 -1.508 -19.593 0.824 842 H GLY 118 H GLY 118 2.344 -18.136 -0.760 843 HA2 GLY 118 1HA GLY 118 3.240 -19.029 -3.372 844 HA3 GLY 118 2HA GLY 118 3.415 -17.305 -3.078 845 H CYS 119 H CYS 119 5.024 -20.148 -3.005 846 HA CYS 119 HA CYS 119 6.671 -19.492 -0.678 847 HB2 CYS 119 1HB CYS 119 7.693 -21.697 -1.020 848 HB3 CYS 119 2HB CYS 119 5.941 -21.820 -0.907 849 HG CYS 119 HG CYS 119 5.649 -21.969 -3.749 850 H GLN 120 H GLN 120 9.074 -19.766 -0.965 851 HA GLN 120 HA GLN 120 10.142 -19.231 -3.589 852 HB2 GLN 120 1HB GLN 120 11.003 -17.058 -3.186 853 HB3 GLN 120 2HB GLN 120 9.306 -17.002 -2.730 854 HG2 GLN 120 1HG GLN 120 10.305 -15.874 -0.999 855 HG3 GLN 120 2HG GLN 120 10.188 -17.508 -0.348 856 HE21 GLN 120 1HE2 GLN 120 12.377 -15.310 -2.037 857 HE22 GLN 120 2HE2 GLN 120 13.829 -15.942 -1.348 858 HA PRO 121 HA PRO 121 13.654 -21.219 -1.861 859 HB2 PRO 121 1HB PRO 121 15.626 -20.211 -3.431 860 HB3 PRO 121 2HB PRO 121 14.450 -21.397 -4.009 861 HG2 PRO 121 1HG PRO 121 14.485 -18.427 -4.382 862 HG3 PRO 121 2HG PRO 121 14.108 -19.698 -5.559 863 HD2 PRO 121 1HD PRO 121 12.188 -18.266 -4.296 864 HD3 PRO 121 2HD PRO 121 11.956 -19.959 -4.777 865 H SER 122 H SER 122 14.627 -20.797 0.010 866 HA SER 122 HA SER 122 15.634 -18.071 0.495 867 HB2 SER 122 1HB SER 122 15.278 -18.462 2.868 868 HB3 SER 122 2HB SER 122 13.786 -18.805 1.993 869 HG SER 122 HG SER 122 14.883 -21.077 2.002 870 H SER 123 H SER 123 17.654 -17.794 1.458 871 HA SER 123 HA SER 123 19.531 -19.930 0.914 872 HB2 SER 123 1HB SER 123 19.860 -17.057 1.784 873 HB3 SER 123 2HB SER 123 21.223 -18.169 1.646 874 HG SER 123 HG SER 123 19.635 -17.033 -0.345 875 H GLY 124 H GLY 124 20.125 -21.385 2.370 876 HA2 GLY 124 1HA GLY 124 19.804 -20.711 5.226 877 HA3 GLY 124 2HA GLY 124 19.669 -22.335 4.567 878 HA PRO 125 HA PRO 125 24.127 -21.092 5.892 879 HB2 PRO 125 1HB PRO 125 24.129 -21.873 8.492 880 HB3 PRO 125 2HB PRO 125 23.739 -20.225 7.984 881 HG2 PRO 125 1HG PRO 125 21.896 -22.468 8.715 882 HG3 PRO 125 2HG PRO 125 21.805 -20.755 9.163 883 HD2 PRO 125 1HD PRO 125 20.305 -21.824 7.179 884 HD3 PRO 125 2HD PRO 125 20.883 -20.146 7.140 885 H SER 126 H SER 126 25.677 -22.613 5.663 886 HA SER 126 HA SER 126 24.877 -25.428 6.018 887 HB2 SER 126 1HB SER 126 25.188 -24.950 3.668 888 HB3 SER 126 2HB SER 126 26.755 -24.205 3.984 889 HG SER 126 HG SER 126 26.391 -26.828 4.845 890 H SER 127 H SER 127 26.355 -26.866 6.911 891 HA SER 127 HA SER 127 28.833 -25.718 7.993 892 HB2 SER 127 1HB SER 127 28.397 -26.974 10.127 893 HB3 SER 127 2HB SER 127 27.286 -25.635 9.836 894 HG SER 127 HG SER 127 25.994 -27.303 10.381 895 H GLY 128 H GLY 128 30.410 -26.847 7.062 896 HA2 GLY 128 1HA GLY 128 31.766 -28.726 6.786 897 HA3 GLY 128 2HA GLY 128 30.448 -29.733 7.366
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