NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
501316 | 2lak | 17530 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 32.986 7.256 -2.019 2 H2 MET 1 2H MET 1 31.318 7.439 -2.281 3 H3 MET 1 3H MET 1 32.292 6.708 -3.466 4 HA MET 1 HA MET 1 32.193 4.713 -2.510 5 HB2 MET 1 2HB MET 1 32.506 6.223 0.101 6 HB3 MET 1 3HB MET 1 32.437 4.465 -0.017 7 HG2 MET 1 2HG MET 1 34.412 4.488 -1.502 8 HG3 MET 1 3HG MET 1 34.484 6.246 -1.375 9 HE1 MET 1 3HE MET 1 36.866 6.505 -0.367 10 HE2 MET 1 1HE MET 1 36.944 4.814 -0.881 11 HE3 MET 1 2HE MET 1 37.548 5.286 0.705 12 H GLU 2 H GLU 2 30.510 6.755 -0.104 13 HA GLU 2 HA GLU 2 27.890 5.967 -1.107 14 HB2 GLU 2 2HB GLU 2 27.274 4.882 1.145 15 HB3 GLU 2 3HB GLU 2 28.253 3.917 0.041 16 HG2 GLU 2 2HG GLU 2 30.297 4.604 1.255 17 HG3 GLU 2 3HG GLU 2 29.311 5.553 2.368 18 H LYS 3 H LYS 3 28.343 8.435 -1.054 19 HA LYS 3 HA LYS 3 28.330 9.829 1.463 20 HB2 LYS 3 2HB LYS 3 27.546 10.686 -1.332 21 HB3 LYS 3 3HB LYS 3 27.598 11.784 0.044 22 HG2 LYS 3 2HG LYS 3 29.978 11.334 0.360 23 HG3 LYS 3 3HG LYS 3 29.946 10.133 -0.929 24 HD2 LYS 3 2HD LYS 3 30.792 12.090 -1.975 25 HD3 LYS 3 3HD LYS 3 29.098 12.028 -2.453 26 HE2 LYS 3 2HE LYS 3 28.491 13.711 -0.852 27 HE3 LYS 3 3HE LYS 3 30.064 13.618 -0.061 28 HZ1 LYS 3 3HZ LYS 3 30.032 14.241 -2.910 29 HZ2 LYS 3 1HZ LYS 3 31.056 14.816 -1.686 30 HZ3 LYS 3 2HZ LYS 3 29.491 15.454 -1.851 31 H ALA 4 H ALA 4 25.820 10.947 -0.562 32 HA ALA 4 HA ALA 4 23.867 10.672 1.568 33 HB1 ALA 4 3HB ALA 4 22.330 11.748 -0.093 34 HB2 ALA 4 1HB ALA 4 23.626 11.660 -1.285 35 HB3 ALA 4 2HB ALA 4 23.825 12.647 0.163 36 H MET 5 H MET 5 21.944 9.448 1.527 37 HA MET 5 HA MET 5 20.823 7.395 1.234 38 HB2 MET 5 2HB MET 5 21.160 7.969 -1.712 39 HB3 MET 5 3HB MET 5 19.788 7.227 -0.886 40 HG2 MET 5 2HG MET 5 19.387 9.396 0.296 41 HG3 MET 5 3HG MET 5 20.676 10.117 -0.668 42 HE1 MET 5 3HE MET 5 17.706 11.443 -0.812 43 HE2 MET 5 1HE MET 5 17.964 11.845 -2.517 44 HE3 MET 5 2HE MET 5 19.313 11.883 -1.386 45 HA PRO 6 HA PRO 6 24.793 5.104 0.333 46 HB2 PRO 6 2HB PRO 6 23.748 3.533 2.653 47 HB3 PRO 6 3HB PRO 6 25.381 4.168 2.367 48 HG2 PRO 6 2HG PRO 6 23.764 5.295 4.161 49 HG3 PRO 6 3HG PRO 6 24.838 6.278 3.148 50 HD2 PRO 6 2HD PRO 6 21.877 5.829 2.869 51 HD3 PRO 6 3HD PRO 6 22.819 7.320 2.623 52 H GLU 7 H GLU 7 24.961 3.158 -0.797 53 HA GLU 7 HA GLU 7 24.140 1.475 -2.226 54 HB2 GLU 7 2HB GLU 7 22.733 0.823 0.378 55 HB3 GLU 7 3HB GLU 7 22.866 -0.281 -0.991 56 HG2 GLU 7 2HG GLU 7 25.231 0.943 0.463 57 HG3 GLU 7 3HG GLU 7 24.616 -0.686 0.743 58 H SER 8 H SER 8 21.789 0.169 -2.471 59 HA SER 8 HA SER 8 19.763 2.317 -3.010 60 HB2 SER 8 2HB SER 8 19.152 1.130 -5.025 61 HB3 SER 8 3HB SER 8 20.896 1.375 -5.052 62 HG SER 8 HG SER 8 21.148 -0.706 -4.982 63 H PHE 9 H PHE 9 19.769 -1.231 -3.144 64 HA PHE 9 HA PHE 9 18.208 -2.768 -2.294 65 HB2 PHE 9 2HB PHE 9 18.599 -0.849 0.011 66 HB3 PHE 9 3HB PHE 9 17.591 -2.290 0.154 67 HD1 PHE 9 HD2 PHE 9 18.617 -4.553 -0.419 68 HD2 PHE 9 HD1 PHE 9 20.965 -1.007 0.177 69 HE1 PHE 9 HE2 PHE 9 20.638 -5.949 -0.083 70 HE2 PHE 9 HE1 PHE 9 22.988 -2.403 0.512 71 HZ PHE 9 HZ PHE 9 22.824 -4.874 0.379 72 H VAL 10 H VAL 10 16.378 -2.576 -3.531 73 HA VAL 10 HA VAL 10 14.282 -0.626 -2.604 74 HB VAL 10 HB VAL 10 14.984 -1.556 -5.402 75 HG11 VAL 10 1HG1 VAL 10 12.533 -0.149 -4.332 76 HG12 VAL 10 2HG1 VAL 10 12.610 -1.565 -5.379 77 HG13 VAL 10 3HG1 VAL 10 13.040 0.024 -6.012 78 HG21 VAL 10 3HG2 VAL 10 14.737 1.237 -4.257 79 HG22 VAL 10 1HG2 VAL 10 15.423 0.772 -5.814 80 HG23 VAL 10 2HG2 VAL 10 16.260 0.350 -4.320 81 H VAL 11 H VAL 11 12.323 -1.527 -2.149 82 HA VAL 11 HA VAL 11 11.927 -4.443 -2.785 83 HB VAL 11 HB VAL 11 11.039 -2.773 -0.414 84 HG11 VAL 11 1HG1 VAL 11 10.052 -5.035 0.336 85 HG12 VAL 11 2HG1 VAL 11 10.157 -5.505 -1.361 86 HG13 VAL 11 3HG1 VAL 11 9.153 -4.136 -0.886 87 HG21 VAL 11 3HG2 VAL 11 12.376 -4.330 0.864 88 HG22 VAL 11 1HG2 VAL 11 13.370 -3.745 -0.470 89 HG23 VAL 11 2HG2 VAL 11 12.636 -5.346 -0.554 90 H ARG 12 H ARG 12 10.144 -4.909 -3.976 91 HA ARG 12 HA ARG 12 7.981 -2.842 -4.227 92 HB2 ARG 12 2HB ARG 12 9.316 -4.461 -6.411 93 HB3 ARG 12 3HB ARG 12 7.772 -3.635 -6.631 94 HG2 ARG 12 2HG ARG 12 8.827 -1.492 -6.037 95 HG3 ARG 12 3HG ARG 12 10.371 -2.311 -5.803 96 HD2 ARG 12 2HD ARG 12 10.379 -3.008 -8.158 97 HD3 ARG 12 3HD ARG 12 8.812 -2.234 -8.402 98 HE ARG 12 HE ARG 12 10.544 -0.256 -7.372 99 HH11 ARG 12 1HH2 ARG 12 10.226 -2.342 -10.095 100 HH12 ARG 12 2HH2 ARG 12 10.993 -1.246 -11.194 101 HH21 ARG 12 1HH1 ARG 12 11.543 1.193 -8.788 102 HH22 ARG 12 2HH1 ARG 12 11.739 0.757 -10.453 103 H ARG 13 H ARG 13 5.909 -3.685 -4.199 104 HA ARG 13 HA ARG 13 5.587 -6.654 -4.270 105 HB2 ARG 13 2HB ARG 13 4.580 -4.813 -2.079 106 HB3 ARG 13 3HB ARG 13 4.093 -6.498 -2.269 107 HG2 ARG 13 2HG ARG 13 6.430 -7.219 -2.022 108 HG3 ARG 13 3HG ARG 13 6.944 -5.539 -1.879 109 HD2 ARG 13 2HD ARG 13 6.765 -6.502 0.351 110 HD3 ARG 13 3HD ARG 13 5.490 -5.307 0.133 111 HE ARG 13 HE ARG 13 3.878 -7.063 0.148 112 HH11 ARG 13 1HH2 ARG 13 7.134 -8.208 0.015 113 HH12 ARG 13 2HH2 ARG 13 6.708 -9.848 0.376 114 HH21 ARG 13 1HH1 ARG 13 3.310 -9.198 0.618 115 HH22 ARG 13 2HH1 ARG 13 4.546 -10.408 0.716 116 H GLU 14 H GLU 14 3.380 -7.290 -4.739 117 HA GLU 14 HA GLU 14 1.600 -5.103 -5.749 118 HB2 GLU 14 2HB GLU 14 2.501 -7.577 -7.247 119 HB3 GLU 14 3HB GLU 14 1.121 -6.592 -7.739 120 HG2 GLU 14 2HG GLU 14 2.561 -4.627 -7.950 121 HG3 GLU 14 3HG GLU 14 3.947 -5.552 -7.372 122 H ALA 15 H ALA 15 -0.651 -5.782 -5.904 123 HA ALA 15 HA ALA 15 -1.372 -8.390 -4.714 124 HB1 ALA 15 3HB ALA 15 -1.074 -7.036 -2.713 125 HB2 ALA 15 1HB ALA 15 -2.802 -7.280 -2.976 126 HB3 ALA 15 2HB ALA 15 -2.052 -5.741 -3.402 127 H HIS 16 H HIS 16 -3.583 -8.925 -5.131 128 HA HIS 16 HA HIS 16 -4.864 -7.199 -7.224 129 HB2 HIS 16 2HB HIS 16 -6.204 -9.371 -7.622 130 HB3 HIS 16 3HB HIS 16 -4.509 -9.366 -8.106 131 HD1 HIS 16 HD1 HIS 16 -6.898 -11.026 -5.838 132 HD2 HIS 16 HD2 HIS 16 -2.755 -10.750 -6.210 133 HE1 HIS 16 HE1 HIS 16 -5.926 -12.892 -4.429 134 H LEU 17 H LEU 17 -6.606 -6.063 -6.588 135 HA LEU 17 HA LEU 17 -8.149 -6.991 -4.181 136 HB2 LEU 17 2HB LEU 17 -7.790 -4.187 -5.290 137 HB3 LEU 17 3HB LEU 17 -8.770 -4.619 -3.888 138 HG LEU 17 HG LEU 17 -6.437 -5.777 -3.122 139 HD11 LEU 17 1HD1 LEU 17 -4.547 -4.314 -3.716 140 HD12 LEU 17 2HD1 LEU 17 -5.592 -3.383 -4.789 141 HD13 LEU 17 3HD1 LEU 17 -5.224 -5.067 -5.159 142 HD21 LEU 17 3HD2 LEU 17 -7.652 -4.151 -1.775 143 HD22 LEU 17 1HD2 LEU 17 -7.142 -2.838 -2.838 144 HD23 LEU 17 2HD2 LEU 17 -5.953 -3.685 -1.849 145 H ALA 18 H ALA 18 -10.311 -7.321 -4.436 146 HA ALA 18 HA ALA 18 -11.386 -7.276 -7.164 147 HB1 ALA 18 3HB ALA 18 -11.979 -9.178 -5.846 148 HB2 ALA 18 1HB ALA 18 -13.442 -8.200 -5.964 149 HB3 ALA 18 2HB ALA 18 -12.475 -8.167 -4.488 150 H ALA 19 H ALA 19 -11.059 -4.951 -4.833 151 HA ALA 19 HA ALA 19 -13.700 -3.667 -5.385 152 HB1 ALA 19 3HB ALA 19 -13.349 -3.584 -3.075 153 HB2 ALA 19 1HB ALA 19 -12.692 -2.023 -3.568 154 HB3 ALA 19 2HB ALA 19 -11.609 -3.376 -3.249 155 HA PRO 20 HA PRO 20 -11.850 -0.767 -8.191 156 HB2 PRO 20 2HB PRO 20 -13.333 1.508 -7.663 157 HB3 PRO 20 3HB PRO 20 -13.953 0.122 -8.581 158 HG2 PRO 20 2HG PRO 20 -14.359 0.815 -5.702 159 HG3 PRO 20 3HG PRO 20 -15.530 0.212 -6.890 160 HD2 PRO 20 2HD PRO 20 -14.398 -1.424 -5.046 161 HD3 PRO 20 3HD PRO 20 -14.810 -1.994 -6.678 162 HA PRO 21 HA PRO 21 -8.715 1.619 -6.154 163 HB2 PRO 21 2HB PRO 21 -8.557 3.880 -7.768 164 HB3 PRO 21 3HB PRO 21 -7.859 2.304 -8.190 165 HG2 PRO 21 2HG PRO 21 -10.453 3.510 -9.054 166 HG3 PRO 21 3HG PRO 21 -9.261 2.603 -10.004 167 HD2 PRO 21 2HD PRO 21 -11.526 1.430 -9.124 168 HD3 PRO 21 3HD PRO 21 -9.993 0.532 -9.196 169 H ALA 22 H ALA 22 -11.745 3.271 -6.855 170 HA ALA 22 HA ALA 22 -11.334 5.576 -5.212 171 HB1 ALA 22 3HB ALA 22 -13.739 5.862 -5.347 172 HB2 ALA 22 1HB ALA 22 -13.957 4.167 -5.787 173 HB3 ALA 22 2HB ALA 22 -13.167 5.275 -6.908 174 H ALA 23 H ALA 23 -12.624 2.343 -4.502 175 HA ALA 23 HA ALA 23 -13.432 2.924 -1.810 176 HB1 ALA 23 3HB ALA 23 -12.585 0.303 -3.078 177 HB2 ALA 23 1HB ALA 23 -14.228 0.941 -3.012 178 HB3 ALA 23 2HB ALA 23 -13.409 0.458 -1.526 179 H VAL 24 H VAL 24 -10.378 1.729 -3.191 180 HA VAL 24 HA VAL 24 -9.088 1.161 -0.708 181 HB VAL 24 HB VAL 24 -7.943 2.013 -3.381 182 HG11 VAL 24 1HG1 VAL 24 -5.863 0.846 -2.412 183 HG12 VAL 24 2HG1 VAL 24 -6.638 1.032 -0.838 184 HG13 VAL 24 3HG1 VAL 24 -6.233 2.456 -1.797 185 HG21 VAL 24 3HG2 VAL 24 -8.274 -0.698 -2.055 186 HG22 VAL 24 1HG2 VAL 24 -7.487 -0.415 -3.609 187 HG23 VAL 24 2HG2 VAL 24 -9.212 -0.098 -3.423 188 H PHE 25 H PHE 25 -9.101 4.120 -2.705 189 HA PHE 25 HA PHE 25 -7.389 5.648 -1.015 190 HB2 PHE 25 2HB PHE 25 -7.986 6.364 -3.293 191 HB3 PHE 25 3HB PHE 25 -9.662 6.595 -2.789 192 HD1 PHE 25 HD2 PHE 25 -6.173 7.627 -1.872 193 HD2 PHE 25 HD1 PHE 25 -10.332 8.696 -1.981 194 HE1 PHE 25 HE2 PHE 25 -5.608 9.904 -1.067 195 HE2 PHE 25 HE1 PHE 25 -9.768 10.971 -1.174 196 HZ PHE 25 HZ PHE 25 -7.407 11.576 -0.719 197 H ALA 26 H ALA 26 -10.925 5.255 -1.028 198 HA ALA 26 HA ALA 26 -11.582 7.125 0.966 199 HB1 ALA 26 3HB ALA 26 -13.628 5.945 1.206 200 HB2 ALA 26 1HB ALA 26 -12.882 4.407 0.771 201 HB3 ALA 26 2HB ALA 26 -13.130 5.645 -0.459 202 H LEU 27 H LEU 27 -10.470 3.759 1.334 203 HA LEU 27 HA LEU 27 -10.736 3.644 4.178 204 HB2 LEU 27 2HB LEU 27 -8.904 2.206 2.245 205 HB3 LEU 27 3HB LEU 27 -8.952 1.827 3.964 206 HG LEU 27 HG LEU 27 -11.439 1.812 2.229 207 HD11 LEU 27 1HD1 LEU 27 -11.138 -0.649 2.097 208 HD12 LEU 27 2HD1 LEU 27 -9.570 -0.484 2.886 209 HD13 LEU 27 3HD1 LEU 27 -9.830 0.215 1.290 210 HD21 LEU 27 3HD2 LEU 27 -12.067 0.098 4.105 211 HD22 LEU 27 1HD2 LEU 27 -12.086 1.811 4.507 212 HD23 LEU 27 2HD2 LEU 27 -10.724 0.809 4.999 213 H MET 28 H MET 28 -8.029 4.645 2.097 214 HA MET 28 HA MET 28 -6.346 5.254 4.425 215 HB2 MET 28 2HB MET 28 -5.998 5.757 1.458 216 HB3 MET 28 3HB MET 28 -4.778 6.135 2.677 217 HG2 MET 28 2HG MET 28 -4.802 3.752 3.396 218 HG3 MET 28 3HG MET 28 -5.935 3.393 2.097 219 HE1 MET 28 3HE MET 28 -5.716 4.004 -0.123 220 HE2 MET 28 1HE MET 28 -4.290 3.544 -1.061 221 HE3 MET 28 2HE MET 28 -4.528 5.221 -0.579 222 H THR 29 H THR 29 -8.879 6.817 2.873 223 HA THR 29 HA THR 29 -7.829 9.553 3.460 224 HB THR 29 HB THR 29 -10.448 8.781 2.146 225 HG1 THR 29 HG1 THR 29 -8.130 8.291 1.207 226 HG21 THR 29 3HG2 THR 29 -10.173 11.115 1.198 227 HG22 THR 29 1HG2 THR 29 -8.838 11.335 2.327 228 HG23 THR 29 2HG2 THR 29 -10.468 11.047 2.936 229 H ASP 30 H ASP 30 -9.818 7.079 4.746 230 HA ASP 30 HA ASP 30 -11.284 9.012 6.491 231 HB2 ASP 30 2HB ASP 30 -11.742 6.138 5.713 232 HB3 ASP 30 3HB ASP 30 -12.553 6.841 7.113 233 HA PRO 31 HA PRO 31 -8.253 7.648 9.568 234 HB2 PRO 31 2HB PRO 31 -9.046 9.203 11.656 235 HB3 PRO 31 3HB PRO 31 -8.183 9.866 10.251 236 HG2 PRO 31 2HG PRO 31 -11.107 9.917 10.869 237 HG3 PRO 31 3HG PRO 31 -10.073 11.199 10.210 238 HD2 PRO 31 2HD PRO 31 -11.714 9.636 8.655 239 HD3 PRO 31 3HD PRO 31 -10.229 10.389 8.043 240 H GLU 32 H GLU 32 -11.725 7.460 9.979 241 HA GLU 32 HA GLU 32 -11.559 5.829 12.420 242 HB2 GLU 32 2HB GLU 32 -13.465 7.381 11.989 243 HB3 GLU 32 3HB GLU 32 -13.933 6.379 10.615 244 HG2 GLU 32 2HG GLU 32 -14.240 4.447 12.097 245 HG3 GLU 32 3HG GLU 32 -13.713 5.409 13.479 246 H LYS 33 H LYS 33 -12.223 5.312 8.965 247 HA LYS 33 HA LYS 33 -12.939 2.561 9.177 248 HB2 LYS 33 2HB LYS 33 -11.676 4.107 6.894 249 HB3 LYS 33 3HB LYS 33 -12.264 2.449 6.750 250 HG2 LYS 33 2HG LYS 33 -14.516 3.236 7.526 251 HG3 LYS 33 3HG LYS 33 -13.905 4.889 7.498 252 HD2 LYS 33 2HD LYS 33 -13.432 4.698 5.096 253 HD3 LYS 33 3HD LYS 33 -13.973 3.022 5.111 254 HE2 LYS 33 2HE LYS 33 -15.766 4.459 4.281 255 HE3 LYS 33 3HE LYS 33 -16.221 3.774 5.841 256 HZ1 LYS 33 3HZ LYS 33 -16.052 6.463 5.135 257 HZ2 LYS 33 1HZ LYS 33 -14.818 6.171 6.262 258 HZ3 LYS 33 2HZ LYS 33 -16.431 5.804 6.654 259 H ILE 34 H ILE 34 -9.798 4.154 9.049 260 HA ILE 34 HA ILE 34 -8.213 1.843 8.503 261 HB ILE 34 HB ILE 34 -7.592 4.365 10.058 262 HG12 ILE 34 2HG1 ILE 34 -6.737 3.503 7.280 263 HG13 ILE 34 3HG1 ILE 34 -8.166 4.493 7.582 264 HG21 ILE 34 1HG2 ILE 34 -5.997 2.771 10.820 265 HG22 ILE 34 2HG2 ILE 34 -5.179 3.645 9.523 266 HG23 ILE 34 3HG2 ILE 34 -5.847 2.040 9.221 267 HD11 ILE 34 3HD1 ILE 34 -5.283 5.178 8.195 268 HD12 ILE 34 1HD1 ILE 34 -6.643 6.099 8.836 269 HD13 ILE 34 2HD1 ILE 34 -6.378 6.015 7.095 270 H LEU 35 H LEU 35 -9.369 3.214 11.574 271 HA LEU 35 HA LEU 35 -7.970 1.534 13.356 272 HB2 LEU 35 2HB LEU 35 -10.844 2.438 13.691 273 HB3 LEU 35 3HB LEU 35 -9.693 2.058 14.972 274 HG LEU 35 HG LEU 35 -9.375 4.321 12.973 275 HD11 LEU 35 1HD1 LEU 35 -10.143 4.367 15.905 276 HD12 LEU 35 2HD1 LEU 35 -11.232 4.690 14.556 277 HD13 LEU 35 3HD1 LEU 35 -9.887 5.782 14.882 278 HD21 LEU 35 3HD2 LEU 35 -7.733 3.320 15.308 279 HD22 LEU 35 1HD2 LEU 35 -7.635 5.002 14.784 280 HD23 LEU 35 2HD2 LEU 35 -7.196 3.706 13.672 281 H ARG 36 H ARG 36 -10.766 0.836 11.334 282 HA ARG 36 HA ARG 36 -11.654 -1.533 12.654 283 HB2 ARG 36 2HB ARG 36 -11.686 -0.773 9.721 284 HB3 ARG 36 3HB ARG 36 -12.507 -2.188 10.370 285 HG2 ARG 36 2HG ARG 36 -13.839 -0.762 11.850 286 HG3 ARG 36 3HG ARG 36 -12.996 0.667 11.250 287 HD2 ARG 36 2HD ARG 36 -13.815 0.183 8.968 288 HD3 ARG 36 3HD ARG 36 -14.691 -1.217 9.585 289 HE ARG 36 HE ARG 36 -15.447 1.604 9.962 290 HH11 ARG 36 1HH2 ARG 36 -15.742 -1.689 10.947 291 HH12 ARG 36 2HH2 ARG 36 -17.305 -1.473 11.657 292 HH21 ARG 36 1HH1 ARG 36 -17.487 1.903 10.885 293 HH22 ARG 36 2HH1 ARG 36 -18.293 0.559 11.623 294 H TRP 37 H TRP 37 -9.028 -0.925 10.373 295 HA TRP 37 HA TRP 37 -8.019 -3.694 10.901 296 HB2 TRP 37 2HB TRP 37 -7.308 -3.875 8.568 297 HB3 TRP 37 3HB TRP 37 -9.047 -3.616 8.647 298 HD1 TRP 37 HD1 TRP 37 -9.766 -0.896 8.423 299 HE1 TRP 37 HE1 TRP 37 -8.843 0.822 6.742 300 HE3 TRP 37 HE3 TRP 37 -5.383 -3.181 7.151 301 HZ2 TRP 37 HZ2 TRP 37 -6.550 1.181 5.076 302 HZ3 TRP 37 HZ3 TRP 37 -3.849 -2.129 5.513 303 HH2 TRP 37 HH2 TRP 37 -4.428 0.046 4.475 304 H MET 38 H MET 38 -6.631 -2.730 12.437 305 HA MET 38 HA MET 38 -4.434 -2.160 13.025 306 HB2 MET 38 2HB MET 38 -3.945 -2.743 10.503 307 HB3 MET 38 3HB MET 38 -3.893 -0.992 10.296 308 HG2 MET 38 2HG MET 38 -1.648 -1.699 10.764 309 HG3 MET 38 3HG MET 38 -2.252 -0.907 12.218 310 HE1 MET 38 3HE MET 38 0.140 -4.219 12.750 311 HE2 MET 38 1HE MET 38 0.199 -2.457 12.605 312 HE3 MET 38 2HE MET 38 -0.077 -3.452 11.178 313 H GLY 39 H GLY 39 -3.286 -0.169 13.546 314 HA2 GLY 39 2HA GLY 39 -3.104 2.213 13.693 315 HA3 GLY 39 3HA GLY 39 -4.637 2.372 12.837 316 H THR 40 H THR 40 -3.193 2.634 15.843 317 HA THR 40 HA THR 40 -5.673 1.995 17.361 318 HB THR 40 HB THR 40 -2.894 2.813 18.254 319 HG1 THR 40 HG1 THR 40 -2.661 0.755 17.942 320 HG21 THR 40 3HG2 THR 40 -5.432 2.263 19.797 321 HG22 THR 40 1HG2 THR 40 -4.381 3.675 19.899 322 HG23 THR 40 2HG2 THR 40 -3.835 2.124 20.534 323 H GLU 41 H GLU 41 -3.960 4.622 15.960 324 HA GLU 41 HA GLU 41 -6.049 6.483 16.823 325 HB2 GLU 41 2HB GLU 41 -4.433 6.603 18.717 326 HB3 GLU 41 3HB GLU 41 -3.160 7.040 17.575 327 HG2 GLU 41 2HG GLU 41 -4.379 9.051 16.923 328 HG3 GLU 41 3HG GLU 41 -5.732 8.600 17.960 329 H ALA 42 H ALA 42 -6.513 7.525 14.953 330 HA ALA 42 HA ALA 42 -4.261 8.415 13.197 331 HB1 ALA 42 3HB ALA 42 -6.735 6.900 12.307 332 HB2 ALA 42 1HB ALA 42 -5.065 6.345 12.197 333 HB3 ALA 42 2HB ALA 42 -5.611 7.702 11.210 334 H GLU 43 H GLU 43 -4.699 10.341 12.093 335 HA GLU 43 HA GLU 43 -7.392 11.550 12.276 336 HB2 GLU 43 2HB GLU 43 -6.368 13.671 13.244 337 HB3 GLU 43 3HB GLU 43 -6.487 12.320 14.370 338 HG2 GLU 43 2HG GLU 43 -4.094 11.739 13.807 339 HG3 GLU 43 3HG GLU 43 -4.013 13.232 12.870 340 H VAL 44 H VAL 44 -7.755 12.551 10.333 341 HA VAL 44 HA VAL 44 -5.405 13.679 8.847 342 HB VAL 44 HB VAL 44 -6.324 12.737 6.756 343 HG11 VAL 44 1HG1 VAL 44 -4.578 11.514 7.976 344 HG12 VAL 44 2HG1 VAL 44 -5.688 10.393 7.188 345 HG13 VAL 44 3HG1 VAL 44 -5.813 10.686 8.923 346 HG21 VAL 44 3HG2 VAL 44 -8.029 10.840 7.091 347 HG22 VAL 44 1HG2 VAL 44 -8.641 12.490 7.210 348 HG23 VAL 44 2HG2 VAL 44 -8.332 11.558 8.672 349 H GLU 45 H GLU 45 -5.987 15.324 7.319 350 HA GLU 45 HA GLU 45 -7.049 17.395 6.958 351 HB2 GLU 45 2HB GLU 45 -9.378 15.477 6.665 352 HB3 GLU 45 3HB GLU 45 -9.312 17.118 6.022 353 HG2 GLU 45 2HG GLU 45 -7.267 16.472 4.726 354 HG3 GLU 45 3HG GLU 45 -7.494 14.811 5.275 355 HA PRO 46 HA PRO 46 -9.101 17.420 11.211 356 HB2 PRO 46 2HB PRO 46 -7.155 18.705 12.627 357 HB3 PRO 46 3HB PRO 46 -7.172 16.942 12.411 358 HG2 PRO 46 2HG PRO 46 -5.574 19.006 10.956 359 HG3 PRO 46 3HG PRO 46 -5.078 17.413 11.551 360 HD2 PRO 46 2HD PRO 46 -5.732 17.890 8.921 361 HD3 PRO 46 3HD PRO 46 -5.933 16.311 9.705 362 H GLU 47 H GLU 47 -6.917 20.152 11.315 363 HA GLU 47 HA GLU 47 -9.187 21.975 11.290 364 HB2 GLU 47 2HB GLU 47 -6.230 22.205 11.742 365 HB3 GLU 47 3HB GLU 47 -7.126 23.677 11.364 366 HG2 GLU 47 2HG GLU 47 -8.681 23.202 13.230 367 HG3 GLU 47 3HG GLU 47 -7.766 21.744 13.617 368 HA PRO 48 HA PRO 48 -9.402 23.207 7.038 369 HB2 PRO 48 2HB PRO 48 -8.744 26.009 7.895 370 HB3 PRO 48 3HB PRO 48 -10.089 25.424 6.895 371 HG2 PRO 48 2HG PRO 48 -10.441 26.133 9.452 372 HG3 PRO 48 3HG PRO 48 -11.346 24.797 8.716 373 HD2 PRO 48 2HD PRO 48 -9.118 24.684 10.698 374 HD3 PRO 48 3HD PRO 48 -10.450 23.543 10.412 375 H GLY 49 H GLY 49 -7.950 23.227 5.362 376 HA2 GLY 49 2HA GLY 49 -5.877 24.415 4.430 377 HA3 GLY 49 3HA GLY 49 -5.099 23.971 5.954 378 H GLY 50 H GLY 50 -6.817 21.409 5.818 379 HA2 GLY 50 2HA GLY 50 -6.624 19.241 4.925 380 HA3 GLY 50 3HA GLY 50 -5.850 19.955 3.513 381 H LEU 51 H LEU 51 -5.275 17.829 5.948 382 HA LEU 51 HA LEU 51 -2.383 17.987 5.499 383 HB2 LEU 51 2HB LEU 51 -2.747 19.556 7.424 384 HB3 LEU 51 3HB LEU 51 -3.468 18.226 8.326 385 HG LEU 51 HG LEU 51 -1.320 16.943 8.037 386 HD11 LEU 51 1HD1 LEU 51 -0.206 17.854 6.193 387 HD12 LEU 51 2HD1 LEU 51 0.680 18.578 7.529 388 HD13 LEU 51 3HD1 LEU 51 -0.544 19.516 6.674 389 HD21 LEU 51 3HD2 LEU 51 -1.639 18.008 10.140 390 HD22 LEU 51 1HD2 LEU 51 -1.347 19.610 9.460 391 HD23 LEU 51 2HD2 LEU 51 -0.014 18.469 9.632 392 H TYR 52 H TYR 52 -2.032 15.882 4.982 393 HA TYR 52 HA TYR 52 -3.652 13.763 6.289 394 HB2 TYR 52 2HB TYR 52 -3.385 13.660 3.857 395 HB3 TYR 52 3HB TYR 52 -1.629 13.655 4.031 396 HD1 TYR 52 HD1 TYR 52 -4.710 11.767 4.980 397 HD2 TYR 52 HD2 TYR 52 -0.459 11.629 4.375 398 HE1 TYR 52 HE1 TYR 52 -4.750 9.303 5.254 399 HE2 TYR 52 HE2 TYR 52 -0.499 9.163 4.648 400 HH TYR 52 HH TYR 52 -1.847 7.347 4.737 401 H LEU 53 H LEU 53 -2.850 12.693 8.028 402 HA LEU 53 HA LEU 53 -0.075 11.865 8.161 403 HB2 LEU 53 2HB LEU 53 0.265 14.162 8.919 404 HB3 LEU 53 3HB LEU 53 -1.038 13.999 10.093 405 HG LEU 53 HG LEU 53 0.222 12.306 11.325 406 HD11 LEU 53 1HD1 LEU 53 1.444 11.070 9.756 407 HD12 LEU 53 2HD1 LEU 53 2.712 12.021 10.526 408 HD13 LEU 53 3HD1 LEU 53 2.074 12.510 8.955 409 HD21 LEU 53 3HD2 LEU 53 2.002 14.665 10.644 410 HD22 LEU 53 1HD2 LEU 53 2.058 13.704 12.122 411 HD23 LEU 53 2HD2 LEU 53 0.655 14.718 11.782 412 H VAL 54 H VAL 54 -0.070 9.958 9.266 413 HA VAL 54 HA VAL 54 -2.152 9.511 11.372 414 HB VAL 54 HB VAL 54 -3.086 8.469 9.413 415 HG11 VAL 54 1HG1 VAL 54 -0.390 7.124 9.054 416 HG12 VAL 54 2HG1 VAL 54 -0.999 8.455 8.069 417 HG13 VAL 54 3HG1 VAL 54 -1.809 6.889 8.035 418 HG21 VAL 54 3HG2 VAL 54 -2.942 7.148 11.619 419 HG22 VAL 54 1HG2 VAL 54 -1.654 6.223 10.846 420 HG23 VAL 54 2HG2 VAL 54 -3.278 6.216 10.159 421 H ASN 55 H ASN 55 -1.365 8.413 13.123 422 HA ASN 55 HA ASN 55 1.528 7.842 13.168 423 HB2 ASN 55 2HB ASN 55 -0.641 7.809 15.281 424 HB3 ASN 55 3HB ASN 55 1.032 7.350 15.611 425 HD21 ASN 55 1HD2 ASN 55 2.527 9.201 14.226 426 HD22 ASN 55 2HD2 ASN 55 2.169 10.777 14.740 427 H VAL 56 H VAL 56 1.551 5.965 11.757 428 HA VAL 56 HA VAL 56 -0.072 3.647 12.152 429 HB VAL 56 HB VAL 56 2.728 3.925 11.020 430 HG11 VAL 56 1HG1 VAL 56 0.808 1.597 11.114 431 HG12 VAL 56 2HG1 VAL 56 2.520 1.629 11.532 432 HG13 VAL 56 3HG1 VAL 56 2.024 1.733 9.844 433 HG21 VAL 56 3HG2 VAL 56 0.772 5.161 9.933 434 HG22 VAL 56 1HG2 VAL 56 0.104 3.574 9.558 435 HG23 VAL 56 2HG2 VAL 56 1.663 4.055 8.887 436 H THR 57 H THR 57 3.191 4.457 13.377 437 HA THR 57 HA THR 57 2.712 2.593 15.658 438 HB THR 57 HB THR 57 5.239 1.933 15.320 439 HG1 THR 57 HG1 THR 57 5.274 3.514 13.490 440 HG21 THR 57 3HG2 THR 57 4.482 0.128 13.656 441 HG22 THR 57 1HG2 THR 57 2.901 0.908 13.711 442 HG23 THR 57 2HG2 THR 57 3.600 0.232 15.179 443 H GLY 58 H GLY 58 4.016 3.082 17.509 444 HA2 GLY 58 2HA GLY 58 4.794 4.679 19.054 445 HA3 GLY 58 3HA GLY 58 6.061 4.891 17.846 446 H ALA 59 H ALA 59 6.331 7.018 17.554 447 HA ALA 59 HA ALA 59 4.269 8.669 16.413 448 HB1 ALA 59 3HB ALA 59 3.998 10.265 18.256 449 HB2 ALA 59 1HB ALA 59 5.078 9.306 19.270 450 HB3 ALA 59 2HB ALA 59 3.510 8.657 18.796 451 H ARG 60 H ARG 60 6.769 8.068 15.515 452 HA ARG 60 HA ARG 60 8.323 10.601 15.971 453 HB2 ARG 60 2HB ARG 60 9.360 7.780 15.570 454 HB3 ARG 60 3HB ARG 60 10.371 9.222 15.502 455 HG2 ARG 60 2HG ARG 60 9.735 9.798 17.808 456 HG3 ARG 60 3HG ARG 60 8.691 8.379 17.883 457 HD2 ARG 60 2HD ARG 60 11.666 8.229 17.324 458 HD3 ARG 60 3HD ARG 60 10.969 8.053 18.935 459 HE ARG 60 HE ARG 60 9.621 6.238 17.222 460 HH11 ARG 60 1HH2 ARG 60 12.758 6.874 18.513 461 HH12 ARG 60 2HH2 ARG 60 13.233 5.209 18.526 462 HH21 ARG 60 1HH1 ARG 60 10.224 4.063 17.237 463 HH22 ARG 60 2HH1 ARG 60 11.799 3.618 17.804 464 H PHE 61 H PHE 61 8.946 11.653 14.182 465 HA PHE 61 HA PHE 61 9.389 10.496 11.609 466 HB2 PHE 61 2HB PHE 61 7.468 11.362 10.378 467 HB3 PHE 61 3HB PHE 61 6.894 10.283 11.646 468 HD1 PHE 61 HD1 PHE 61 5.751 11.153 13.628 469 HD2 PHE 61 HD2 PHE 61 7.126 13.773 10.515 470 HE1 PHE 61 HE1 PHE 61 4.349 12.980 14.547 471 HE2 PHE 61 HE2 PHE 61 5.728 15.602 11.436 472 HZ PHE 61 HZ PHE 61 4.338 15.206 13.452 473 H ALA 62 H ALA 62 9.725 12.722 13.877 474 HA ALA 62 HA ALA 62 10.668 14.855 14.002 475 HB1 ALA 62 3HB ALA 62 11.636 14.112 11.229 476 HB2 ALA 62 1HB ALA 62 12.460 13.733 12.741 477 HB3 ALA 62 2HB ALA 62 12.282 15.412 12.230 478 H ARG 63 H ARG 63 10.158 14.946 10.491 479 HA ARG 63 HA ARG 63 7.887 16.842 10.879 480 HB2 ARG 63 2HB ARG 63 9.970 18.194 10.737 481 HB3 ARG 63 3HB ARG 63 10.325 17.454 9.176 482 HG2 ARG 63 2HG ARG 63 8.191 18.337 8.280 483 HG3 ARG 63 3HG ARG 63 7.857 19.091 9.838 484 HD2 ARG 63 2HD ARG 63 10.314 19.670 8.164 485 HD3 ARG 63 3HD ARG 63 8.855 20.660 8.147 486 HE ARG 63 HE ARG 63 10.839 20.545 10.312 487 HH11 ARG 63 1HH2 ARG 63 7.632 21.302 9.295 488 HH12 ARG 63 2HH2 ARG 63 7.369 22.471 10.544 489 HH21 ARG 63 1HH1 ARG 63 10.514 22.073 11.950 490 HH22 ARG 63 2HH1 ARG 63 9.000 22.909 12.046 491 H GLY 64 H GLY 64 6.393 16.764 9.233 492 HA2 GLY 64 2HA GLY 64 6.487 14.464 7.469 493 HA3 GLY 64 3HA GLY 64 5.217 15.687 7.503 494 H SER 65 H SER 65 6.149 14.708 5.065 495 HA SER 65 HA SER 65 7.054 17.193 3.814 496 HB2 SER 65 2HB SER 65 8.797 14.719 3.594 497 HB3 SER 65 3HB SER 65 9.075 16.269 2.802 498 HG SER 65 HG SER 65 10.193 15.788 4.897 499 H PHE 66 H PHE 66 5.044 16.961 2.704 500 HA PHE 66 HA PHE 66 4.364 14.541 1.259 501 HB2 PHE 66 2HB PHE 66 3.315 17.359 0.876 502 HB3 PHE 66 3HB PHE 66 2.543 15.872 0.325 503 HD1 PHE 66 HD2 PHE 66 1.789 14.164 2.040 504 HD2 PHE 66 HD1 PHE 66 3.056 18.125 3.114 505 HE1 PHE 66 HE2 PHE 66 0.695 13.914 4.252 506 HE2 PHE 66 HE1 PHE 66 1.966 17.873 5.327 507 HZ PHE 66 HZ PHE 66 0.786 15.765 5.896 508 H ARG 67 H ARG 67 4.817 14.011 -0.857 509 HA ARG 67 HA ARG 67 6.613 15.867 -2.375 510 HB2 ARG 67 2HB ARG 67 6.084 12.896 -2.677 511 HB3 ARG 67 3HB ARG 67 7.174 13.835 -3.699 512 HG2 ARG 67 2HG ARG 67 8.559 14.399 -1.771 513 HG3 ARG 67 3HG ARG 67 7.436 13.571 -0.690 514 HD2 ARG 67 2HD ARG 67 9.316 12.088 -1.175 515 HD3 ARG 67 3HD ARG 67 7.854 11.457 -1.930 516 HE ARG 67 HE ARG 67 8.778 11.954 -4.069 517 HH11 ARG 67 1HH2 ARG 67 10.621 13.262 -1.459 518 HH12 ARG 67 2HH2 ARG 67 11.974 13.681 -2.455 519 HH21 ARG 67 1HH1 ARG 67 10.537 12.496 -5.379 520 HH22 ARG 67 2HH1 ARG 67 11.926 13.250 -4.670 521 H GLU 68 H GLU 68 3.896 13.596 -2.926 522 HA GLU 68 HA GLU 68 2.678 15.536 -4.798 523 HB2 GLU 68 2HB GLU 68 4.274 14.190 -6.183 524 HB3 GLU 68 3HB GLU 68 3.413 12.732 -5.694 525 HG2 GLU 68 2HG GLU 68 1.344 13.582 -6.687 526 HG3 GLU 68 3HG GLU 68 2.154 15.085 -7.132 527 H VAL 69 H VAL 69 0.448 15.307 -4.792 528 HA VAL 69 HA VAL 69 -0.686 12.878 -3.423 529 HB VAL 69 HB VAL 69 -1.475 15.792 -3.165 530 HG11 VAL 69 1HG1 VAL 69 -3.230 14.719 -1.543 531 HG12 VAL 69 2HG1 VAL 69 -2.987 13.264 -2.510 532 HG13 VAL 69 3HG1 VAL 69 -3.572 14.743 -3.270 533 HG21 VAL 69 3HG2 VAL 69 0.344 15.083 -1.703 534 HG22 VAL 69 1HG2 VAL 69 -0.574 13.665 -1.198 535 HG23 VAL 69 2HG2 VAL 69 -1.122 15.279 -0.743 536 H VAL 70 H VAL 70 -2.180 11.827 -4.594 537 HA VAL 70 HA VAL 70 -3.774 13.275 -6.638 538 HB VAL 70 HB VAL 70 -2.595 10.610 -7.395 539 HG11 VAL 70 1HG1 VAL 70 -3.103 11.292 -9.585 540 HG12 VAL 70 2HG1 VAL 70 -3.058 13.007 -9.172 541 HG13 VAL 70 3HG1 VAL 70 -4.421 12.012 -8.661 542 HG21 VAL 70 3HG2 VAL 70 -1.195 13.295 -7.603 543 HG22 VAL 70 1HG2 VAL 70 -0.704 11.850 -8.488 544 HG23 VAL 70 2HG2 VAL 70 -0.629 11.871 -6.727 545 HA PRO 71 HA PRO 71 -6.369 10.609 -3.876 546 HB2 PRO 71 2HB PRO 71 -8.481 12.126 -5.372 547 HB3 PRO 71 3HB PRO 71 -8.340 11.815 -3.628 548 HG2 PRO 71 2HG PRO 71 -7.768 14.204 -4.628 549 HG3 PRO 71 3HG PRO 71 -6.789 13.507 -3.323 550 HD2 PRO 71 2HD PRO 71 -6.141 13.741 -6.245 551 HD3 PRO 71 3HD PRO 71 -5.071 13.901 -4.834 552 H VAL 72 H VAL 72 -7.733 8.815 -4.315 553 HA VAL 72 HA VAL 72 -8.121 6.868 -5.592 554 HB VAL 72 HB VAL 72 -10.218 8.123 -5.739 555 HG11 VAL 72 1HG1 VAL 72 -10.645 9.463 -7.854 556 HG12 VAL 72 2HG1 VAL 72 -8.908 9.423 -8.139 557 HG13 VAL 72 3HG1 VAL 72 -9.548 10.209 -6.695 558 HG21 VAL 72 3HG2 VAL 72 -9.986 7.160 -8.559 559 HG22 VAL 72 1HG2 VAL 72 -11.139 6.708 -7.307 560 HG23 VAL 72 2HG2 VAL 72 -9.528 5.999 -7.315 561 H HIS 73 H HIS 73 -5.601 7.981 -6.276 562 HA HIS 73 HA HIS 73 -5.354 6.923 -9.029 563 HB2 HIS 73 2HB HIS 73 -4.602 9.739 -8.231 564 HB3 HIS 73 3HB HIS 73 -3.972 8.952 -9.676 565 HD1 HIS 73 HD1 HIS 73 -6.276 7.645 -10.955 566 HD2 HIS 73 HD2 HIS 73 -6.713 11.315 -9.027 567 HE1 HIS 73 HE1 HIS 73 -8.358 8.719 -11.921 568 H ARG 74 H ARG 74 -3.241 8.904 -6.912 569 HA ARG 74 HA ARG 74 -1.656 6.579 -6.152 570 HB2 ARG 74 2HB ARG 74 0.424 7.349 -7.296 571 HB3 ARG 74 3HB ARG 74 -0.828 6.828 -8.422 572 HG2 ARG 74 2HG ARG 74 -1.481 9.149 -8.822 573 HG3 ARG 74 3HG ARG 74 -0.297 9.707 -7.635 574 HD2 ARG 74 2HD ARG 74 0.429 8.089 -10.087 575 HD3 ARG 74 3HD ARG 74 0.487 9.851 -10.032 576 HE ARG 74 HE ARG 74 1.976 8.896 -7.821 577 HH11 ARG 74 1HH2 ARG 74 1.984 8.811 -11.271 578 HH12 ARG 74 2HH2 ARG 74 3.710 8.732 -11.396 579 HH21 ARG 74 1HH1 ARG 74 4.229 8.795 -7.968 580 HH22 ARG 74 2HH1 ARG 74 4.980 8.723 -9.526 581 H LEU 75 H LEU 75 0.157 7.198 -4.741 582 HA LEU 75 HA LEU 75 0.068 10.010 -3.734 583 HB2 LEU 75 2HB LEU 75 -0.238 7.490 -2.076 584 HB3 LEU 75 3HB LEU 75 0.127 9.069 -1.386 585 HG LEU 75 HG LEU 75 -2.292 8.527 -3.133 586 HD11 LEU 75 1HD1 LEU 75 -3.551 8.591 -0.951 587 HD12 LEU 75 2HD1 LEU 75 -2.000 8.497 -0.119 588 HD13 LEU 75 3HD1 LEU 75 -2.526 7.169 -1.153 589 HD21 LEU 75 3HD2 LEU 75 -1.304 10.870 -1.500 590 HD22 LEU 75 1HD2 LEU 75 -3.035 10.650 -1.758 591 HD23 LEU 75 2HD2 LEU 75 -1.962 10.851 -3.134 592 H ALA 76 H ALA 76 2.030 10.731 -2.878 593 HA ALA 76 HA ALA 76 4.306 8.794 -2.816 594 HB1 ALA 76 3HB ALA 76 4.132 10.157 -5.013 595 HB2 ALA 76 1HB ALA 76 5.680 10.174 -4.168 596 HB3 ALA 76 2HB ALA 76 4.585 11.550 -4.030 597 H TYR 77 H TYR 77 5.210 8.958 -0.833 598 HA TYR 77 HA TYR 77 5.885 11.536 0.324 599 HB2 TYR 77 2HB TYR 77 4.515 11.260 2.385 600 HB3 TYR 77 3HB TYR 77 3.519 11.493 0.948 601 HD1 TYR 77 HD2 TYR 77 2.450 9.510 -0.158 602 HD2 TYR 77 HD1 TYR 77 4.410 9.229 3.654 603 HE1 TYR 77 HE2 TYR 77 1.295 7.361 0.277 604 HE2 TYR 77 HE1 TYR 77 3.251 7.080 4.090 605 HH TYR 77 HH TYR 77 0.612 6.027 2.317 606 H SER 78 H SER 78 6.977 11.196 2.493 607 HA SER 78 HA SER 78 8.011 8.398 2.821 608 HB2 SER 78 2HB SER 78 10.243 9.125 2.892 609 HB3 SER 78 3HB SER 78 9.566 10.069 1.568 610 HG SER 78 HG SER 78 9.458 11.824 2.874 611 H PHE 79 H PHE 79 8.593 7.866 4.957 612 HA PHE 79 HA PHE 79 8.570 9.758 7.130 613 HB2 PHE 79 2HB PHE 79 6.500 9.162 8.212 614 HB3 PHE 79 3HB PHE 79 6.107 9.628 6.559 615 HD1 PHE 79 HD1 PHE 79 6.006 7.714 4.791 616 HD2 PHE 79 HD2 PHE 79 5.792 7.072 9.033 617 HE1 PHE 79 HE1 PHE 79 4.951 5.503 4.405 618 HE2 PHE 79 HE2 PHE 79 4.740 4.861 8.646 619 HZ PHE 79 HZ PHE 79 4.321 4.076 6.333 620 H GLY 80 H GLY 80 8.750 6.629 5.772 621 HA2 GLY 80 2HA GLY 80 10.168 4.865 6.482 622 HA3 GLY 80 3HA GLY 80 10.423 5.716 8.007 623 H TRP 81 H TRP 81 9.880 2.946 7.881 624 HA TRP 81 HA TRP 81 7.031 2.605 8.620 625 HB2 TRP 81 2HB TRP 81 8.179 0.880 7.245 626 HB3 TRP 81 3HB TRP 81 9.317 0.606 8.562 627 HD1 TRP 81 HD1 TRP 81 8.658 -1.169 10.257 628 HE1 TRP 81 HE1 TRP 81 6.482 -2.401 10.882 629 HE3 TRP 81 HE3 TRP 81 5.354 1.315 7.264 630 HZ2 TRP 81 HZ2 TRP 81 3.703 -2.338 10.199 631 HZ3 TRP 81 HZ3 TRP 81 2.952 0.711 7.269 632 HH2 TRP 81 HH2 TRP 81 2.122 -1.111 8.730 633 H ASP 82 H ASP 82 9.759 3.694 10.132 634 HA ASP 82 HA ASP 82 10.429 3.861 12.370 635 HB2 ASP 82 2HB ASP 82 7.437 3.486 12.634 636 HB3 ASP 82 3HB ASP 82 8.480 3.811 14.020 637 H GLY 83 H GLY 83 10.527 1.200 11.096 638 HA2 GLY 83 2HA GLY 83 9.817 -0.673 13.266 639 HA3 GLY 83 3HA GLY 83 10.551 -1.106 11.719 640 H SER 84 H SER 84 12.396 1.397 12.549 641 HA SER 84 HA SER 84 14.005 0.234 14.685 642 HB2 SER 84 2HB SER 84 15.998 -0.219 13.336 643 HB3 SER 84 3HB SER 84 14.650 -1.203 12.770 644 HG SER 84 HG SER 84 15.937 -0.007 11.143 645 H GLU 85 H GLU 85 15.904 1.614 15.164 646 HA GLU 85 HA GLU 85 16.620 3.802 15.703 647 HB2 GLU 85 2HB GLU 85 16.613 3.794 12.671 648 HB3 GLU 85 3HB GLU 85 17.400 5.030 13.652 649 HG2 GLU 85 2HG GLU 85 18.833 3.333 14.690 650 HG3 GLU 85 3HG GLU 85 18.020 2.063 13.773 651 H VAL 86 H VAL 86 15.505 5.282 12.870 652 HA VAL 86 HA VAL 86 12.926 6.183 13.974 653 HB VAL 86 HB VAL 86 14.793 7.641 14.964 654 HG11 VAL 86 1HG1 VAL 86 16.027 7.663 12.698 655 HG12 VAL 86 2HG1 VAL 86 15.924 9.191 13.571 656 HG13 VAL 86 3HG1 VAL 86 14.848 8.882 12.209 657 HG21 VAL 86 3HG2 VAL 86 12.663 8.935 13.232 658 HG22 VAL 86 1HG2 VAL 86 13.520 9.733 14.551 659 HG23 VAL 86 2HG2 VAL 86 12.451 8.371 14.889 660 H VAL 87 H VAL 87 15.380 6.261 11.453 661 HA VAL 87 HA VAL 87 15.224 6.448 9.137 662 HB VAL 87 HB VAL 87 12.337 5.660 9.627 663 HG11 VAL 87 1HG1 VAL 87 14.115 5.493 7.176 664 HG12 VAL 87 2HG1 VAL 87 12.734 6.571 7.377 665 HG13 VAL 87 3HG1 VAL 87 12.487 4.828 7.298 666 HG21 VAL 87 3HG2 VAL 87 14.123 4.124 10.570 667 HG22 VAL 87 1HG2 VAL 87 14.729 3.934 8.925 668 HG23 VAL 87 2HG2 VAL 87 13.104 3.387 9.335 669 HA PRO 88 HA PRO 88 13.320 10.625 9.519 670 HB2 PRO 88 2HB PRO 88 15.558 12.066 8.775 671 HB3 PRO 88 3HB PRO 88 15.200 11.587 10.442 672 HG2 PRO 88 2HG PRO 88 17.179 10.478 8.548 673 HG3 PRO 88 3HG PRO 88 17.189 10.483 10.318 674 HD2 PRO 88 2HD PRO 88 16.506 8.292 8.647 675 HD3 PRO 88 3HD PRO 88 16.261 8.386 10.402 676 HA PRO 89 HA PRO 89 12.251 11.372 5.269 677 HB2 PRO 89 2HB PRO 89 13.386 14.148 5.460 678 HB3 PRO 89 3HB PRO 89 11.782 13.623 4.906 679 HG2 PRO 89 2HG PRO 89 12.077 14.714 7.296 680 HG3 PRO 89 3HG PRO 89 10.993 13.329 7.065 681 HD2 PRO 89 2HD PRO 89 13.724 13.394 8.308 682 HD3 PRO 89 3HD PRO 89 12.297 12.431 8.754 683 H GLY 90 H GLY 90 13.202 10.925 3.320 684 HA2 GLY 90 2HA GLY 90 14.842 11.137 1.583 685 HA3 GLY 90 3HA GLY 90 15.950 11.876 2.738 686 H SER 91 H SER 91 15.374 9.700 4.740 687 HA SER 91 HA SER 91 17.495 7.917 3.942 688 HB2 SER 91 2HB SER 91 16.913 6.666 5.985 689 HB3 SER 91 3HB SER 91 16.995 8.395 6.308 690 HG SER 91 HG SER 91 15.036 8.139 7.017 691 H SER 92 H SER 92 14.065 7.911 3.452 692 HA SER 92 HA SER 92 14.290 5.483 1.812 693 HB2 SER 92 2HB SER 92 12.363 4.385 3.027 694 HB3 SER 92 3HB SER 92 13.866 4.425 3.946 695 HG SER 92 HG SER 92 11.484 5.842 4.302 696 H LEU 93 H LEU 93 12.213 5.133 0.604 697 HA LEU 93 HA LEU 93 10.470 7.573 0.556 698 HB2 LEU 93 2HB LEU 93 12.101 7.797 -1.264 699 HB3 LEU 93 3HB LEU 93 11.701 6.181 -1.843 700 HG LEU 93 HG LEU 93 9.424 6.881 -2.357 701 HD11 LEU 93 1HD1 LEU 93 10.277 9.401 -0.945 702 HD12 LEU 93 2HD1 LEU 93 8.784 8.476 -0.772 703 HD13 LEU 93 3HD1 LEU 93 9.035 9.478 -2.197 704 HD21 LEU 93 3HD2 LEU 93 10.903 7.235 -4.173 705 HD22 LEU 93 1HD2 LEU 93 11.650 8.634 -3.402 706 HD23 LEU 93 2HD2 LEU 93 10.008 8.747 -4.033 707 H VAL 94 H VAL 94 8.352 7.064 0.569 708 HA VAL 94 HA VAL 94 7.567 4.230 -0.073 709 HB VAL 94 HB VAL 94 6.286 6.267 1.777 710 HG11 VAL 94 1HG1 VAL 94 4.536 4.958 0.793 711 HG12 VAL 94 2HG1 VAL 94 4.844 4.260 2.383 712 HG13 VAL 94 3HG1 VAL 94 5.482 3.476 0.938 713 HG21 VAL 94 3HG2 VAL 94 7.032 4.854 3.562 714 HG22 VAL 94 1HG2 VAL 94 8.427 5.103 2.513 715 HG23 VAL 94 2HG2 VAL 94 7.527 3.589 2.438 716 H GLU 95 H GLU 95 6.141 3.991 -1.749 717 HA GLU 95 HA GLU 95 4.503 6.341 -2.604 718 HB2 GLU 95 2HB GLU 95 6.362 4.717 -4.355 719 HB3 GLU 95 3HB GLU 95 5.065 5.723 -5.002 720 HG2 GLU 95 2HG GLU 95 6.023 7.700 -3.939 721 HG3 GLU 95 3HG GLU 95 7.277 6.717 -3.189 722 H ILE 96 H ILE 96 2.510 5.792 -3.302 723 HA ILE 96 HA ILE 96 1.851 2.882 -3.637 724 HB ILE 96 HB ILE 96 0.244 5.055 -2.251 725 HG12 ILE 96 2HG1 ILE 96 1.306 2.428 -1.177 726 HG13 ILE 96 3HG1 ILE 96 2.160 3.961 -1.001 727 HG21 ILE 96 1HG2 ILE 96 -1.353 3.152 -1.804 728 HG22 ILE 96 2HG2 ILE 96 -0.442 2.194 -2.972 729 HG23 ILE 96 3HG2 ILE 96 -1.281 3.656 -3.492 730 HD11 ILE 96 3HD1 ILE 96 -0.631 3.351 0.015 731 HD12 ILE 96 1HD1 ILE 96 0.177 4.913 0.148 732 HD13 ILE 96 2HD1 ILE 96 0.821 3.511 1.004 733 H ASP 97 H ASP 97 0.882 2.486 -5.576 734 HA ASP 97 HA ASP 97 -0.332 4.803 -7.063 735 HB2 ASP 97 2HB ASP 97 1.440 2.569 -8.080 736 HB3 ASP 97 3HB ASP 97 0.511 3.632 -9.138 737 H LEU 98 H LEU 98 -2.323 4.431 -7.886 738 HA LEU 98 HA LEU 98 -3.476 1.675 -7.600 739 HB2 LEU 98 2HB LEU 98 -4.889 4.348 -7.869 740 HB3 LEU 98 3HB LEU 98 -5.648 2.793 -7.531 741 HG LEU 98 HG LEU 98 -3.619 4.179 -5.750 742 HD11 LEU 98 1HD1 LEU 98 -6.614 3.793 -5.450 743 HD12 LEU 98 2HD1 LEU 98 -5.798 5.322 -5.780 744 HD13 LEU 98 3HD1 LEU 98 -5.550 4.505 -4.237 745 HD21 LEU 98 3HD2 LEU 98 -5.071 1.533 -5.604 746 HD22 LEU 98 1HD2 LEU 98 -4.575 2.359 -4.126 747 HD23 LEU 98 2HD2 LEU 98 -3.366 1.875 -5.310 748 H ILE 99 H ILE 99 -3.985 0.613 -9.458 749 HA ILE 99 HA ILE 99 -4.171 2.209 -12.004 750 HB ILE 99 HB ILE 99 -2.973 -0.543 -11.565 751 HG12 ILE 99 2HG1 ILE 99 -1.695 2.012 -12.583 752 HG13 ILE 99 3HG1 ILE 99 -1.614 1.493 -10.899 753 HG21 ILE 99 1HG2 ILE 99 -3.557 1.069 -14.058 754 HG22 ILE 99 2HG2 ILE 99 -4.088 -0.570 -13.682 755 HG23 ILE 99 3HG2 ILE 99 -2.389 -0.252 -14.034 756 HD11 ILE 99 3HD1 ILE 99 -0.400 -0.483 -11.464 757 HD12 ILE 99 1HD1 ILE 99 0.365 0.822 -12.370 758 HD13 ILE 99 2HD1 ILE 99 -0.740 -0.285 -13.183 759 H GLU 100 H GLU 100 -6.103 2.004 -12.966 760 HA GLU 100 HA GLU 100 -8.112 0.197 -11.917 761 HB2 GLU 100 2HB GLU 100 -8.665 2.425 -12.867 762 HB3 GLU 100 3HB GLU 100 -8.151 1.856 -14.456 763 HG2 GLU 100 2HG GLU 100 -9.871 0.115 -14.426 764 HG3 GLU 100 3HG GLU 100 -10.358 0.600 -12.800 765 H GLN 101 H GLN 101 -8.786 -1.763 -12.750 766 HA GLN 101 HA GLN 101 -7.751 -2.646 -15.393 767 HB2 GLN 101 2HB GLN 101 -7.227 -4.064 -12.771 768 HB3 GLN 101 3HB GLN 101 -7.081 -4.858 -14.340 769 HG2 GLN 101 2HG GLN 101 -5.440 -3.147 -15.046 770 HG3 GLN 101 3HG GLN 101 -5.568 -2.379 -13.465 771 HE21 GLN 101 1HE2 GLN 101 -3.064 -3.071 -13.838 772 HE22 GLN 101 2HE2 GLN 101 -2.646 -4.546 -13.112 773 H GLY 102 H GLY 102 -8.975 -4.475 -16.243 774 HA2 GLY 102 2HA GLY 102 -11.766 -4.320 -15.655 775 HA3 GLY 102 3HA GLY 102 -11.014 -5.573 -16.641 776 H GLY 103 H GLY 103 -9.299 -6.720 -14.696 777 HA2 GLY 103 2HA GLY 103 -11.331 -8.112 -13.023 778 HA3 GLY 103 3HA GLY 103 -9.702 -8.693 -13.365 779 H GLY 104 H GLY 104 -11.537 -6.355 -11.440 780 HA2 GLY 104 2HA GLY 104 -11.072 -5.599 -9.253 781 HA3 GLY 104 3HA GLY 104 -9.680 -6.680 -9.228 782 H THR 105 H THR 105 -8.700 -4.748 -8.123 783 HA THR 105 HA THR 105 -7.628 -2.774 -10.122 784 HB THR 105 HB THR 105 -8.093 -2.351 -7.151 785 HG1 THR 105 HG1 THR 105 -9.969 -2.478 -8.602 786 HG21 THR 105 3HG2 THR 105 -7.216 -0.492 -9.379 787 HG22 THR 105 1HG2 THR 105 -6.221 -1.047 -8.032 788 HG23 THR 105 2HG2 THR 105 -7.597 0.015 -7.732 789 H LEU 106 H LEU 106 -5.441 -2.691 -10.271 790 HA LEU 106 HA LEU 106 -3.859 -4.544 -8.578 791 HB2 LEU 106 2HB LEU 106 -3.539 -4.602 -11.015 792 HB3 LEU 106 3HB LEU 106 -3.134 -2.888 -11.016 793 HG LEU 106 HG LEU 106 -1.145 -3.323 -9.656 794 HD11 LEU 106 1HD1 LEU 106 -0.552 -5.878 -9.439 795 HD12 LEU 106 2HD1 LEU 106 -2.297 -6.107 -9.565 796 HD13 LEU 106 3HD1 LEU 106 -1.625 -5.137 -8.255 797 HD21 LEU 106 3HD2 LEU 106 -1.143 -3.573 -12.180 798 HD22 LEU 106 1HD2 LEU 106 -1.254 -5.317 -11.932 799 HD23 LEU 106 2HD2 LEU 106 0.155 -4.430 -11.347 800 H LEU 107 H LEU 107 -2.627 -3.799 -6.906 801 HA LEU 107 HA LEU 107 -2.128 -0.840 -6.716 802 HB2 LEU 107 2HB LEU 107 -3.625 -1.842 -4.967 803 HB3 LEU 107 3HB LEU 107 -2.286 -2.869 -4.462 804 HG LEU 107 HG LEU 107 -1.633 0.047 -4.631 805 HD11 LEU 107 1HD1 LEU 107 -3.446 -1.014 -2.444 806 HD12 LEU 107 2HD1 LEU 107 -3.928 0.124 -3.701 807 HD13 LEU 107 3HD1 LEU 107 -2.720 0.594 -2.504 808 HD21 LEU 107 3HD2 LEU 107 -0.032 -1.613 -3.750 809 HD22 LEU 107 1HD2 LEU 107 -1.200 -2.093 -2.517 810 HD23 LEU 107 2HD2 LEU 107 -0.501 -0.475 -2.486 811 H ARG 108 H ARG 108 -0.047 -0.274 -6.904 812 HA ARG 108 HA ARG 108 2.073 -2.360 -6.545 813 HB2 ARG 108 2HB ARG 108 2.080 0.302 -8.000 814 HB3 ARG 108 3HB ARG 108 3.484 -0.756 -7.845 815 HG2 ARG 108 2HG ARG 108 2.315 -2.548 -9.013 816 HG3 ARG 108 3HG ARG 108 0.844 -1.577 -9.088 817 HD2 ARG 108 2HD ARG 108 2.010 -1.437 -11.227 818 HD3 ARG 108 3HD ARG 108 2.087 0.130 -10.420 819 HE ARG 108 HE ARG 108 4.397 -1.415 -9.718 820 HH11 ARG 108 1HH2 ARG 108 2.889 0.269 -12.322 821 HH12 ARG 108 2HH2 ARG 108 4.385 0.686 -13.092 822 HH21 ARG 108 1HH1 ARG 108 6.355 -0.883 -10.707 823 HH22 ARG 108 2HH1 ARG 108 6.346 0.034 -12.176 824 H LEU 109 H LEU 109 3.581 -2.083 -4.942 825 HA LEU 109 HA LEU 109 3.606 0.524 -3.451 826 HB2 LEU 109 2HB LEU 109 2.377 -1.268 -2.210 827 HB3 LEU 109 3HB LEU 109 3.839 -2.251 -2.242 828 HG LEU 109 HG LEU 109 4.220 0.528 -1.205 829 HD11 LEU 109 1HD1 LEU 109 3.336 -0.103 1.043 830 HD12 LEU 109 2HD1 LEU 109 2.608 -1.536 0.319 831 HD13 LEU 109 3HD1 LEU 109 2.073 0.071 -0.173 832 HD21 LEU 109 3HD2 LEU 109 5.033 -2.233 -0.224 833 HD22 LEU 109 1HD2 LEU 109 5.567 -0.709 0.486 834 HD23 LEU 109 2HD2 LEU 109 6.041 -1.129 -1.159 835 H THR 110 H THR 110 5.597 1.386 -3.408 836 HA THR 110 HA THR 110 7.974 -0.439 -3.704 837 HB THR 110 HB THR 110 7.611 2.360 -4.821 838 HG1 THR 110 HG1 THR 110 6.622 0.303 -5.791 839 HG21 THR 110 3HG2 THR 110 9.907 2.038 -4.214 840 HG22 THR 110 1HG2 THR 110 9.804 1.771 -5.954 841 HG23 THR 110 2HG2 THR 110 9.909 0.395 -4.854 842 H HIS 111 H HIS 111 9.403 -0.250 -2.059 843 HA HIS 111 HA HIS 111 9.357 2.245 -0.378 844 HB2 HIS 111 2HB HIS 111 8.304 0.243 0.744 845 HB3 HIS 111 3HB HIS 111 9.860 -0.577 0.614 846 HD1 HIS 111 HD1 HIS 111 7.996 1.737 2.732 847 HD2 HIS 111 HD2 HIS 111 12.019 0.926 2.006 848 HE1 HIS 111 HE1 HIS 111 9.292 2.780 4.642 849 H SER 112 H SER 112 11.235 3.231 -0.999 850 HA SER 112 HA SER 112 13.644 1.619 -1.609 851 HB2 SER 112 2HB SER 112 14.489 3.550 -2.613 852 HB3 SER 112 3HB SER 112 12.755 3.766 -2.843 853 HG SER 112 HG SER 112 14.420 4.888 -0.839 854 H GLY 113 H GLY 113 15.765 2.437 -0.645 855 HA2 GLY 113 2HA GLY 113 16.927 3.557 1.192 856 HA3 GLY 113 3HA GLY 113 15.453 3.453 2.153 857 H LEU 114 H LEU 114 15.416 1.847 3.627 858 HA LEU 114 HA LEU 114 16.014 -0.101 4.787 859 HB2 LEU 114 2HB LEU 114 16.783 -1.275 2.115 860 HB3 LEU 114 3HB LEU 114 16.138 -2.100 3.534 861 HG LEU 114 HG LEU 114 14.642 -0.123 1.787 862 HD11 LEU 114 1HD1 LEU 114 15.013 -2.482 0.917 863 HD12 LEU 114 2HD1 LEU 114 13.325 -2.005 1.098 864 HD13 LEU 114 3HD1 LEU 114 14.078 -3.050 2.300 865 HD21 LEU 114 3HD2 LEU 114 13.838 0.204 4.003 866 HD22 LEU 114 1HD2 LEU 114 13.944 -1.516 4.380 867 HD23 LEU 114 2HD2 LEU 114 12.700 -0.929 3.276 868 HA PRO 115 HA PRO 115 20.520 0.998 4.293 869 HB2 PRO 115 2HB PRO 115 20.886 2.086 6.785 870 HB3 PRO 115 3HB PRO 115 20.331 3.028 5.387 871 HG2 PRO 115 2HG PRO 115 18.765 1.934 7.668 872 HG3 PRO 115 3HG PRO 115 18.554 3.451 6.778 873 HD2 PRO 115 2HD PRO 115 17.011 1.179 6.377 874 HD3 PRO 115 3HD PRO 115 17.222 2.463 5.169 875 H SER 116 H SER 116 18.608 -0.966 6.305 876 HA SER 116 HA SER 116 21.012 -2.577 7.073 877 HB2 SER 116 2HB SER 116 19.861 -3.020 9.278 878 HB3 SER 116 3HB SER 116 20.453 -1.373 9.082 879 HG SER 116 HG SER 116 18.103 -1.930 9.775 880 H ALA 117 H ALA 117 20.576 -4.818 7.295 881 HA ALA 117 HA ALA 117 18.588 -5.867 5.510 882 HB1 ALA 117 3HB ALA 117 20.615 -7.110 5.856 883 HB2 ALA 117 1HB ALA 117 19.302 -8.083 6.517 884 HB3 ALA 117 2HB ALA 117 20.353 -7.167 7.598 885 H GLU 118 H GLU 118 18.719 -5.492 9.031 886 HA GLU 118 HA GLU 118 16.482 -7.084 9.726 887 HB2 GLU 118 2HB GLU 118 17.450 -4.471 10.933 888 HB3 GLU 118 3HB GLU 118 16.268 -5.537 11.690 889 HG2 GLU 118 2HG GLU 118 19.077 -6.379 10.916 890 HG3 GLU 118 3HG GLU 118 18.597 -5.893 12.542 891 H GLN 119 H GLN 119 16.643 -3.674 8.712 892 HA GLN 119 HA GLN 119 13.817 -3.198 8.898 893 HB2 GLN 119 2HB GLN 119 15.989 -1.870 7.252 894 HB3 GLN 119 3HB GLN 119 14.333 -1.271 7.347 895 HG2 GLN 119 2HG GLN 119 14.540 -1.044 9.789 896 HG3 GLN 119 3HG GLN 119 16.188 -1.670 9.715 897 HE21 GLN 119 1HE2 GLN 119 17.546 0.106 10.059 898 HE22 GLN 119 2HE2 GLN 119 17.402 1.599 9.264 899 H CYS 120 H CYS 120 15.910 -4.403 6.301 900 HA CYS 120 HA CYS 120 13.927 -4.369 4.234 901 HB2 CYS 120 2HB CYS 120 16.568 -4.850 4.242 902 HB3 CYS 120 3HB CYS 120 16.013 -6.523 4.250 903 HG CYS 120 HG CYS 120 14.463 -5.157 2.128 904 H ALA 121 H ALA 121 15.017 -7.015 6.373 905 HA ALA 121 HA ALA 121 13.047 -8.893 5.462 906 HB1 ALA 121 3HB ALA 121 15.152 -9.454 6.726 907 HB2 ALA 121 1HB ALA 121 13.704 -10.212 7.386 908 HB3 ALA 121 2HB ALA 121 14.396 -8.793 8.174 909 H GLY 122 H GLY 122 13.109 -6.560 8.146 910 HA2 GLY 122 2HA GLY 122 10.589 -7.390 9.271 911 HA3 GLY 122 3HA GLY 122 11.386 -5.847 9.576 912 H HIS 123 H HIS 123 11.489 -4.838 6.950 913 HA HIS 123 HA HIS 123 8.832 -3.776 6.670 914 HB2 HIS 123 2HB HIS 123 11.286 -3.706 4.901 915 HB3 HIS 123 3HB HIS 123 9.781 -2.902 4.455 916 HD1 HIS 123 HD1 HIS 123 11.369 -3.095 7.913 917 HD2 HIS 123 HD2 HIS 123 10.388 -0.254 5.025 918 HE1 HIS 123 HE1 HIS 123 11.839 -0.831 8.947 919 H GLU 124 H GLU 124 10.653 -6.228 4.815 920 HA GLU 124 HA GLU 124 8.716 -6.686 2.795 921 HB2 GLU 124 2HB GLU 124 11.023 -7.648 2.813 922 HB3 GLU 124 3HB GLU 124 10.524 -8.743 4.101 923 HG2 GLU 124 2HG GLU 124 8.800 -9.708 2.633 924 HG3 GLU 124 3HG GLU 124 9.269 -8.597 1.344 925 H GLU 125 H GLU 125 9.112 -8.267 5.964 926 HA GLU 125 HA GLU 125 6.748 -9.907 5.686 927 HB2 GLU 125 2HB GLU 125 8.676 -10.370 7.240 928 HB3 GLU 125 3HB GLU 125 8.137 -9.015 8.231 929 HG2 GLU 125 2HG GLU 125 7.206 -11.007 9.202 930 HG3 GLU 125 3HG GLU 125 5.882 -10.167 8.394 931 H GLY 126 H GLY 126 7.426 -6.731 7.107 932 HA2 GLY 126 2HA GLY 126 4.882 -6.390 8.379 933 HA3 GLY 126 3HA GLY 126 5.979 -5.085 7.937 934 H TRP 127 H TRP 127 6.059 -5.282 5.177 935 HA TRP 127 HA TRP 127 3.597 -4.035 4.431 936 HB2 TRP 127 2HB TRP 127 5.891 -5.153 2.814 937 HB3 TRP 127 3HB TRP 127 4.499 -4.385 2.053 938 HD1 TRP 127 HD1 TRP 127 7.809 -3.560 3.248 939 HE1 TRP 127 HE1 TRP 127 8.061 -1.038 3.709 940 HE3 TRP 127 HE3 TRP 127 2.894 -2.160 3.237 941 HZ2 TRP 127 HZ2 TRP 127 6.403 1.269 4.029 942 HZ3 TRP 127 HZ3 TRP 127 2.262 0.202 3.624 943 HH2 TRP 127 HH2 TRP 127 4.007 1.918 4.019 944 H ALA 128 H ALA 128 4.779 -7.358 4.013 945 HA ALA 128 HA ALA 128 2.734 -8.288 2.279 946 HB1 ALA 128 3HB ALA 128 4.838 -9.520 3.010 947 HB2 ALA 128 1HB ALA 128 3.369 -10.495 2.962 948 HB3 ALA 128 2HB ALA 128 3.989 -9.905 4.506 949 H HIS 129 H HIS 129 2.854 -8.309 5.852 950 HA HIS 129 HA HIS 129 0.221 -9.420 6.169 951 HB2 HIS 129 2HB HIS 129 2.005 -7.798 8.000 952 HB3 HIS 129 3HB HIS 129 0.441 -8.434 8.512 953 HD1 HIS 129 HD1 HIS 129 3.632 -9.309 9.175 954 HD2 HIS 129 HD2 HIS 129 0.635 -11.466 7.238 955 HE1 HIS 129 HE1 HIS 129 4.265 -11.751 9.374 956 H TYR 130 H TYR 130 1.456 -6.084 6.110 957 HA TYR 130 HA TYR 130 -1.002 -4.766 6.707 958 HB2 TYR 130 2HB TYR 130 1.144 -3.592 6.709 959 HB3 TYR 130 3HB TYR 130 1.332 -3.891 4.983 960 HD1 TYR 130 HD1 TYR 130 -0.851 -2.202 7.494 961 HD2 TYR 130 HD2 TYR 130 0.362 -2.445 3.381 962 HE1 TYR 130 HE1 TYR 130 -2.120 -0.130 6.997 963 HE2 TYR 130 HE2 TYR 130 -0.907 -0.374 2.883 964 HH TYR 130 HH TYR 130 -2.348 1.553 5.439 965 H LEU 131 H LEU 131 0.493 -5.566 3.570 966 HA LEU 131 HA LEU 131 -1.697 -4.627 1.973 967 HB2 LEU 131 2HB LEU 131 0.487 -6.657 1.428 968 HB3 LEU 131 3HB LEU 131 -0.644 -6.097 0.199 969 HG LEU 131 HG LEU 131 1.147 -4.260 1.813 970 HD11 LEU 131 1HD1 LEU 131 1.518 -5.382 -0.991 971 HD12 LEU 131 2HD1 LEU 131 2.504 -5.746 0.431 972 HD13 LEU 131 3HD1 LEU 131 2.516 -4.132 -0.261 973 HD21 LEU 131 3HD2 LEU 131 0.570 -2.817 -0.347 974 HD22 LEU 131 1HD2 LEU 131 -0.564 -2.876 1.000 975 HD23 LEU 131 2HD2 LEU 131 -0.834 -3.878 -0.427 976 H GLY 132 H GLY 132 -0.896 -7.826 3.317 977 HA2 GLY 132 2HA GLY 132 -3.033 -9.237 2.041 978 HA3 GLY 132 3HA GLY 132 -2.226 -9.752 3.522 979 H ARG 133 H ARG 133 -2.845 -7.521 5.150 980 HA ARG 133 HA ARG 133 -5.483 -8.219 6.038 981 HB2 ARG 133 2HB ARG 133 -3.709 -7.287 7.518 982 HB3 ARG 133 3HB ARG 133 -3.860 -5.740 6.687 983 HG2 ARG 133 2HG ARG 133 -6.174 -5.529 7.394 984 HG3 ARG 133 3HG ARG 133 -6.141 -7.141 8.108 985 HD2 ARG 133 2HD ARG 133 -4.331 -4.870 8.978 986 HD3 ARG 133 3HD ARG 133 -5.836 -5.301 9.793 987 HE ARG 133 HE ARG 133 -4.272 -7.659 9.599 988 HH11 ARG 133 1HH2 ARG 133 -4.235 -4.535 11.068 989 HH12 ARG 133 2HH2 ARG 133 -3.298 -5.046 12.433 990 HH21 ARG 133 1HH1 ARG 133 -3.053 -8.338 11.373 991 HH22 ARG 133 2HH1 ARG 133 -2.630 -7.198 12.605 992 H LEU 134 H LEU 134 -4.224 -5.479 4.148 993 HA LEU 134 HA LEU 134 -6.665 -4.016 4.010 994 HB2 LEU 134 2HB LEU 134 -4.536 -3.011 3.344 995 HB3 LEU 134 3HB LEU 134 -4.368 -4.174 2.032 996 HG LEU 134 HG LEU 134 -6.339 -3.264 0.912 997 HD11 LEU 134 1HD1 LEU 134 -6.589 -1.680 3.467 998 HD12 LEU 134 2HD1 LEU 134 -7.829 -2.579 2.593 999 HD13 LEU 134 3HD1 LEU 134 -7.251 -1.038 1.962 1000 HD21 LEU 134 3HD2 LEU 134 -4.300 -1.225 1.834 1001 HD22 LEU 134 1HD2 LEU 134 -5.490 -0.885 0.578 1002 HD23 LEU 134 2HD2 LEU 134 -4.294 -2.158 0.338 1003 H THR 135 H THR 135 -5.365 -6.618 1.975 1004 HA THR 135 HA THR 135 -7.347 -6.549 -0.059 1005 HB THR 135 HB THR 135 -6.059 -9.056 1.048 1006 HG1 THR 135 HG1 THR 135 -4.905 -7.707 -1.066 1007 HG21 THR 135 3HG2 THR 135 -6.854 -8.297 -1.774 1008 HG22 THR 135 1HG2 THR 135 -7.867 -9.252 -0.689 1009 HG23 THR 135 2HG2 THR 135 -6.302 -9.876 -1.213 1010 H GLU 136 H GLU 136 -7.293 -8.248 3.069 1011 HA GLU 136 HA GLU 136 -9.728 -9.668 2.791 1012 HB2 GLU 136 2HB GLU 136 -8.491 -8.414 5.263 1013 HB3 GLU 136 3HB GLU 136 -9.788 -9.608 5.287 1014 HG2 GLU 136 2HG GLU 136 -7.068 -10.061 4.023 1015 HG3 GLU 136 3HG GLU 136 -7.524 -10.619 5.633 1016 H VAL 137 H VAL 137 -9.132 -6.373 4.036 1017 HA VAL 137 HA VAL 137 -11.880 -5.782 4.612 1018 HB VAL 137 HB VAL 137 -9.543 -3.967 3.957 1019 HG11 VAL 137 1HG1 VAL 137 -11.494 -2.678 3.517 1020 HG12 VAL 137 2HG1 VAL 137 -11.027 -2.255 5.164 1021 HG13 VAL 137 3HG1 VAL 137 -12.358 -3.377 4.886 1022 HG21 VAL 137 3HG2 VAL 137 -9.471 -5.449 6.035 1023 HG22 VAL 137 1HG2 VAL 137 -10.861 -4.536 6.624 1024 HG23 VAL 137 2HG2 VAL 137 -9.328 -3.717 6.330 1025 H ALA 138 H ALA 138 -9.851 -5.171 1.753 1026 HA ALA 138 HA ALA 138 -11.820 -3.765 0.241 1027 HB1 ALA 138 3HB ALA 138 -9.382 -5.384 -0.497 1028 HB2 ALA 138 1HB ALA 138 -9.601 -3.636 -0.562 1029 HB3 ALA 138 2HB ALA 138 -10.407 -4.669 -1.740 1030 H ALA 139 H ALA 139 -11.135 -7.223 0.586 1031 HA ALA 139 HA ALA 139 -13.217 -7.921 -1.383 1032 HB1 ALA 139 3HB ALA 139 -11.292 -9.350 -1.361 1033 HB2 ALA 139 1HB ALA 139 -12.610 -10.280 -0.650 1034 HB3 ALA 139 2HB ALA 139 -11.383 -9.553 0.388 1035 H GLY 140 H GLY 140 -13.190 -7.008 1.837 1036 HA2 GLY 140 2HA GLY 140 -15.899 -7.348 2.339 1037 HA3 GLY 140 3HA GLY 140 -15.175 -8.867 2.870 1038 H ARG 141 H ARG 141 -16.209 -6.057 4.089 1039 HA ARG 141 HA ARG 141 -14.005 -5.178 5.728 1040 HB2 ARG 141 2HB ARG 141 -16.995 -4.784 5.937 1041 HB3 ARG 141 3HB ARG 141 -15.844 -4.029 7.040 1042 HG2 ARG 141 2HG ARG 141 -14.715 -2.946 5.146 1043 HG3 ARG 141 3HG ARG 141 -15.835 -3.719 4.024 1044 HD2 ARG 141 2HD ARG 141 -17.724 -2.560 5.109 1045 HD3 ARG 141 3HD ARG 141 -16.606 -1.773 6.221 1046 HE ARG 141 HE ARG 141 -16.957 -1.124 3.364 1047 HH11 ARG 141 1HH2 ARG 141 -15.102 -0.849 6.268 1048 HH12 ARG 141 2HH2 ARG 141 -14.280 0.584 5.756 1049 HH21 ARG 141 1HH1 ARG 141 -15.882 0.740 2.687 1050 HH22 ARG 141 2HH1 ARG 141 -14.717 1.481 3.732 1051 H ASP 142 H ASP 142 -14.569 -5.082 8.264 1052 HA ASP 142 HA ASP 142 -14.530 -6.291 10.266 1053 HB2 ASP 142 2HB ASP 142 -16.506 -8.104 8.851 1054 HB3 ASP 142 3HB ASP 142 -16.280 -7.941 10.590 1055 HA PRO 143 HA PRO 143 -11.535 -9.237 8.223 1056 HB2 PRO 143 2HB PRO 143 -9.841 -8.184 10.447 1057 HB3 PRO 143 3HB PRO 143 -9.450 -8.371 8.725 1058 HG2 PRO 143 2HG PRO 143 -9.912 -5.966 9.788 1059 HG3 PRO 143 3HG PRO 143 -10.452 -6.368 8.148 1060 HD2 PRO 143 2HD PRO 143 -12.069 -6.208 10.676 1061 HD3 PRO 143 3HD PRO 143 -12.506 -5.708 9.025 1062 H GLY 144 H GLY 144 -11.013 -11.311 8.960 1063 HA2 GLY 144 2HA GLY 144 -12.477 -12.344 11.198 1064 HA3 GLY 144 3HA GLY 144 -11.248 -13.224 10.292 1065 HA PRO 145 HA PRO 145 -8.022 -12.542 13.236 1066 HB2 PRO 145 2HB PRO 145 -6.836 -10.097 11.991 1067 HB3 PRO 145 3HB PRO 145 -6.082 -11.671 12.327 1068 HG2 PRO 145 2HG PRO 145 -6.716 -10.963 9.847 1069 HG3 PRO 145 3HG PRO 145 -6.938 -12.632 10.404 1070 HD2 PRO 145 2HD PRO 145 -9.009 -10.475 10.057 1071 HD3 PRO 145 3HD PRO 145 -9.110 -12.204 9.647 1072 H ASP 146 H ASP 146 -7.574 -11.507 15.193 1073 HA ASP 146 HA ASP 146 -8.751 -8.797 15.646 1074 HB2 ASP 146 2HB ASP 146 -9.286 -11.334 17.202 1075 HB3 ASP 146 3HB ASP 146 -9.512 -9.739 17.921 1076 HA PRO 147 HA PRO 147 -4.275 -9.580 17.152 1077 HB2 PRO 147 2HB PRO 147 -4.193 -6.767 16.101 1078 HB3 PRO 147 3HB PRO 147 -2.978 -8.054 15.965 1079 HG2 PRO 147 2HG PRO 147 -4.558 -7.353 13.906 1080 HG3 PRO 147 3HG PRO 147 -4.010 -9.020 14.154 1081 HD2 PRO 147 2HD PRO 147 -6.728 -7.870 14.549 1082 HD3 PRO 147 3HD PRO 147 -6.239 -9.543 14.221 1083 H PHE 148 H PHE 148 -6.501 -6.828 17.355 1084 HA PHE 148 HA PHE 148 -6.085 -6.693 20.281 1085 HB2 PHE 148 2HB PHE 148 -5.652 -4.323 18.433 1086 HB3 PHE 148 3HB PHE 148 -5.718 -4.236 20.193 1087 HD1 PHE 148 HD2 PHE 148 -4.096 -5.863 21.479 1088 HD2 PHE 148 HD1 PHE 148 -3.572 -4.654 17.390 1089 HE1 PHE 148 HE2 PHE 148 -1.692 -6.453 21.611 1090 HE2 PHE 148 HE1 PHE 148 -1.168 -5.245 17.524 1091 HZ PHE 148 HZ PHE 148 -0.227 -6.144 19.635 1092 H TYR 149 H TYR 149 -7.616 -5.007 17.524 1093 HA TYR 149 HA TYR 149 -9.979 -4.370 19.120 1094 HB2 TYR 149 2HB TYR 149 -9.346 -4.050 16.176 1095 HB3 TYR 149 3HB TYR 149 -10.849 -3.503 16.922 1096 HD1 TYR 149 HD2 TYR 149 -7.208 -2.968 16.703 1097 HD2 TYR 149 HD1 TYR 149 -10.880 -1.648 18.496 1098 HE1 TYR 149 HE2 TYR 149 -6.086 -0.894 17.472 1099 HE2 TYR 149 HE1 TYR 149 -9.758 0.427 19.266 1100 HH TYR 149 HH TYR 149 -6.779 0.855 19.675 1101 H GLY 150 H GLY 150 -11.958 -5.380 19.051 1102 HA2 GLY 150 2HA GLY 150 -12.947 -7.161 17.101 1103 HA3 GLY 150 3HA GLY 150 -12.095 -8.148 18.295 1104 H ARG 151 H ARG 151 -14.405 -5.415 18.251 1105 HA ARG 151 HA ARG 151 -15.433 -5.926 20.871 1106 HB2 ARG 151 2HB ARG 151 -15.712 -3.772 19.674 1107 HB3 ARG 151 3HB ARG 151 -16.801 -4.561 18.533 1108 HG2 ARG 151 2HG ARG 151 -18.349 -5.110 20.363 1109 HG3 ARG 151 3HG ARG 151 -17.252 -4.372 21.529 1110 HD2 ARG 151 2HD ARG 151 -17.464 -2.213 20.269 1111 HD3 ARG 151 3HD ARG 151 -18.691 -2.971 19.257 1112 HE ARG 151 HE ARG 151 -19.017 -2.183 22.083 1113 HH11 ARG 151 1HH2 ARG 151 -20.174 -3.929 19.332 1114 HH12 ARG 151 2HH2 ARG 151 -21.804 -4.009 19.913 1115 HH21 ARG 151 1HH1 ARG 151 -21.137 -2.291 22.847 1116 HH22 ARG 151 2HH1 ARG 151 -22.347 -3.087 21.897 1117 H ARG 152 H ARG 152 -17.027 -7.290 21.579 1118 HA ARG 152 HA ARG 152 -18.998 -8.421 19.757 1119 HB2 ARG 152 2HB ARG 152 -16.841 -9.814 19.448 1120 HB3 ARG 152 3HB ARG 152 -17.138 -10.398 21.084 1121 HG2 ARG 152 2HG ARG 152 -18.273 -12.024 19.860 1122 HG3 ARG 152 3HG ARG 152 -19.581 -10.875 20.137 1123 HD2 ARG 152 2HD ARG 152 -19.570 -11.523 17.787 1124 HD3 ARG 152 3HD ARG 152 -19.072 -9.837 17.913 1125 HE ARG 152 HE ARG 152 -16.898 -10.466 17.189 1126 HH11 ARG 152 1HH2 ARG 152 -18.868 -13.164 18.042 1127 HH12 ARG 152 2HH2 ARG 152 -17.778 -14.337 17.383 1128 HH21 ARG 152 1HH1 ARG 152 -15.462 -11.981 16.324 1129 HH22 ARG 152 2HH1 ARG 152 -15.849 -13.667 16.409 1130 H LEU 153 H LEU 153 -20.018 -7.108 21.563 1131 HA LEU 153 HA LEU 153 -21.028 -6.915 23.692 1132 HB2 LEU 153 2HB LEU 153 -21.579 -9.814 22.994 1133 HB3 LEU 153 3HB LEU 153 -22.482 -8.857 24.169 1134 HG LEU 153 HG LEU 153 -22.207 -8.189 21.222 1135 HD11 LEU 153 1HD1 LEU 153 -23.583 -10.218 21.691 1136 HD12 LEU 153 2HD1 LEU 153 -24.533 -8.888 21.029 1137 HD13 LEU 153 3HD1 LEU 153 -24.601 -9.246 22.755 1138 HD21 LEU 153 3HD2 LEU 153 -24.258 -6.682 21.973 1139 HD22 LEU 153 1HD2 LEU 153 -22.610 -6.122 22.234 1140 HD23 LEU 153 2HD2 LEU 153 -23.522 -6.830 23.569 1141 H GLU 154 H GLU 154 -19.303 -6.589 25.098 1142 HA GLU 154 HA GLU 154 -18.213 -9.020 26.485 1143 HB2 GLU 154 2HB GLU 154 -16.364 -7.444 27.197 1144 HB3 GLU 154 3HB GLU 154 -16.421 -7.781 25.468 1145 HG2 GLU 154 2HG GLU 154 -17.788 -5.373 26.686 1146 HG3 GLU 154 3HG GLU 154 -16.116 -5.325 26.128 1147 H HIS 155 H HIS 155 -18.219 -9.030 28.749 1148 HA HIS 155 HA HIS 155 -20.414 -7.752 30.048 1149 HB2 HIS 155 2HB HIS 155 -17.934 -9.041 31.216 1150 HB3 HIS 155 3HB HIS 155 -19.384 -8.632 32.134 1151 HD1 HIS 155 HD1 HIS 155 -21.687 -9.710 30.943 1152 HD2 HIS 155 HD2 HIS 155 -18.046 -11.610 30.234 1153 HE1 HIS 155 HE1 HIS 155 -22.243 -12.058 30.173 1154 H HIS 156 H HIS 156 -19.975 -6.477 32.203 1155 HA HIS 156 HA HIS 156 -17.716 -4.572 31.973 1156 HB2 HIS 156 2HB HIS 156 -19.233 -2.616 32.151 1157 HB3 HIS 156 3HB HIS 156 -19.474 -3.501 30.645 1158 HD1 HIS 156 HD1 HIS 156 -21.667 -4.883 30.401 1159 HD2 HIS 156 HD2 HIS 156 -21.414 -2.742 33.969 1160 HE1 HIS 156 HE1 HIS 156 -23.991 -4.893 31.408 1161 H HIS 157 H HIS 157 -17.643 -3.144 33.951 1162 HA HIS 157 HA HIS 157 -18.021 -4.777 36.313 1163 HB2 HIS 157 2HB HIS 157 -16.137 -3.168 36.013 1164 HB3 HIS 157 3HB HIS 157 -17.293 -1.841 36.127 1165 HD1 HIS 157 HD1 HIS 157 -18.418 -1.423 38.440 1166 HD2 HIS 157 HD2 HIS 157 -15.568 -4.464 38.471 1167 HE1 HIS 157 HE1 HIS 157 -17.929 -1.921 40.874 1168 H HIS 158 H HIS 158 -19.676 -4.733 37.769 1169 HA HIS 158 HA HIS 158 -22.098 -3.252 37.105 1170 HB2 HIS 158 2HB HIS 158 -21.385 -5.030 39.450 1171 HB3 HIS 158 3HB HIS 158 -22.999 -4.386 39.140 1172 HD1 HIS 158 HD1 HIS 158 -22.920 -7.344 39.071 1173 HD2 HIS 158 HD2 HIS 158 -21.926 -5.098 35.702 1174 HE1 HIS 158 HE1 HIS 158 -23.215 -8.873 37.074 1175 H HIS 159 H HIS 159 -23.104 -1.657 38.403 1176 HA HIS 159 HA HIS 159 -21.323 0.250 39.609 1177 HB2 HIS 159 2HB HIS 159 -23.349 1.498 40.147 1178 HB3 HIS 159 3HB HIS 159 -23.490 0.836 38.520 1179 HD1 HIS 159 HD1 HIS 159 -25.729 1.436 40.954 1180 HD2 HIS 159 HD2 HIS 159 -24.567 -2.199 39.274 1181 HE1 HIS 159 HE1 HIS 159 -27.626 -0.187 41.370 1182 H HIS 160 H HIS 160 -20.910 0.680 41.768 1183 HA HIS 160 HA HIS 160 -22.359 -0.736 43.896 1184 HB2 HIS 160 2HB HIS 160 -20.754 -2.460 43.255 1185 HB3 HIS 160 3HB HIS 160 -19.431 -1.296 43.328 1186 HD1 HIS 160 HD1 HIS 160 -22.033 -2.873 45.618 1187 HD2 HIS 160 HD2 HIS 160 -18.306 -1.022 45.852 1188 HE1 HIS 160 HE1 HIS 160 -21.286 -3.069 48.031 Start of MODEL 2 1 H1 MET 1 1H MET 1 36.181 5.763 -4.011 2 H2 MET 1 2H MET 1 34.756 6.056 -3.134 3 H3 MET 1 3H MET 1 34.763 4.914 -4.392 4 HA MET 1 HA MET 1 36.764 4.292 -2.481 5 HB2 MET 1 2HB MET 1 33.904 4.541 -1.504 6 HB3 MET 1 3HB MET 1 35.183 3.682 -0.647 7 HG2 MET 1 2HG MET 1 35.269 6.620 -1.394 8 HG3 MET 1 3HG MET 1 34.863 6.004 0.207 9 HE1 MET 1 3HE MET 1 36.159 4.675 1.604 10 HE2 MET 1 1HE MET 1 37.921 4.672 1.741 11 HE3 MET 1 2HE MET 1 37.117 3.528 0.672 12 H GLU 2 H GLU 2 35.927 1.970 -1.558 13 HA GLU 2 HA GLU 2 35.697 0.308 -3.879 14 HB2 GLU 2 2HB GLU 2 36.755 -0.429 -1.762 15 HB3 GLU 2 3HB GLU 2 35.175 -0.408 -0.979 16 HG2 GLU 2 2HG GLU 2 34.346 -2.110 -2.524 17 HG3 GLU 2 3HG GLU 2 35.872 -2.083 -3.407 18 H LYS 3 H LYS 3 33.947 -0.714 -4.787 19 HA LYS 3 HA LYS 3 31.310 0.413 -4.285 20 HB2 LYS 3 2HB LYS 3 32.293 -1.820 -6.080 21 HB3 LYS 3 3HB LYS 3 30.621 -1.255 -6.053 22 HG2 LYS 3 2HG LYS 3 31.372 1.016 -6.639 23 HG3 LYS 3 3HG LYS 3 33.046 0.464 -6.655 24 HD2 LYS 3 2HD LYS 3 32.524 -1.114 -8.468 25 HD3 LYS 3 3HD LYS 3 30.839 -0.593 -8.445 26 HE2 LYS 3 2HE LYS 3 31.538 1.701 -9.026 27 HE3 LYS 3 3HE LYS 3 33.223 1.181 -9.054 28 HZ1 LYS 3 3HZ LYS 3 31.236 0.921 -11.064 29 HZ2 LYS 3 1HZ LYS 3 31.864 -0.601 -10.653 30 HZ3 LYS 3 2HZ LYS 3 32.909 0.638 -11.164 31 H ALA 4 H ALA 4 29.542 -0.606 -3.307 32 HA ALA 4 HA ALA 4 29.637 -3.408 -2.513 33 HB1 ALA 4 3HB ALA 4 29.749 -1.298 -0.334 34 HB2 ALA 4 1HB ALA 4 31.082 -2.368 -0.770 35 HB3 ALA 4 2HB ALA 4 29.598 -3.038 -0.093 36 H MET 5 H MET 5 27.559 -4.046 -2.721 37 HA MET 5 HA MET 5 25.228 -3.859 -3.030 38 HB2 MET 5 2HB MET 5 25.721 -2.540 -0.353 39 HB3 MET 5 3HB MET 5 24.108 -2.912 -0.959 40 HG2 MET 5 2HG MET 5 24.521 -5.245 -0.965 41 HG3 MET 5 3HG MET 5 26.265 -5.022 -0.829 42 HE1 MET 5 3HE MET 5 27.076 -4.445 2.706 43 HE2 MET 5 1HE MET 5 27.240 -3.504 1.217 44 HE3 MET 5 2HE MET 5 27.502 -5.247 1.195 45 HA PRO 6 HA PRO 6 25.608 0.539 -4.633 46 HB2 PRO 6 2HB PRO 6 24.413 -0.864 -6.995 47 HB3 PRO 6 3HB PRO 6 25.743 0.313 -6.939 48 HG2 PRO 6 2HG PRO 6 26.245 -2.255 -7.349 49 HG3 PRO 6 3HG PRO 6 27.301 -1.286 -6.304 50 HD2 PRO 6 2HD PRO 6 25.172 -3.262 -5.511 51 HD3 PRO 6 3HD PRO 6 26.791 -3.011 -4.812 52 H GLU 7 H GLU 7 23.922 2.010 -4.707 53 HA GLU 7 HA GLU 7 21.797 2.875 -4.370 54 HB2 GLU 7 2HB GLU 7 21.468 1.872 -6.616 55 HB3 GLU 7 3HB GLU 7 20.928 0.380 -5.845 56 HG2 GLU 7 2HG GLU 7 19.104 1.569 -4.753 57 HG3 GLU 7 3HG GLU 7 19.653 3.095 -5.437 58 H SER 8 H SER 8 19.965 2.703 -3.014 59 HA SER 8 HA SER 8 20.308 0.934 -0.748 60 HB2 SER 8 2HB SER 8 18.575 2.175 0.246 61 HB3 SER 8 3HB SER 8 19.322 3.339 -0.844 62 HG SER 8 HG SER 8 17.510 3.420 -1.892 63 H PHE 9 H PHE 9 18.485 -0.438 0.068 64 HA PHE 9 HA PHE 9 17.672 -2.334 -1.965 65 HB2 PHE 9 2HB PHE 9 16.820 -2.083 0.934 66 HB3 PHE 9 3HB PHE 9 16.586 -3.501 -0.090 67 HD1 PHE 9 HD2 PHE 9 18.563 -4.746 -0.970 68 HD2 PHE 9 HD1 PHE 9 18.948 -1.597 1.924 69 HE1 PHE 9 HE2 PHE 9 20.855 -5.524 -0.430 70 HE2 PHE 9 HE1 PHE 9 21.242 -2.371 2.463 71 HZ PHE 9 HZ PHE 9 22.195 -4.336 1.286 72 H VAL 10 H VAL 10 15.622 -2.681 -2.816 73 HA VAL 10 HA VAL 10 13.489 -0.670 -2.147 74 HB VAL 10 HB VAL 10 14.342 -1.755 -4.852 75 HG11 VAL 10 1HG1 VAL 10 11.965 -1.784 -4.933 76 HG12 VAL 10 2HG1 VAL 10 12.423 -0.243 -5.660 77 HG13 VAL 10 3HG1 VAL 10 11.836 -0.294 -3.998 78 HG21 VAL 10 3HG2 VAL 10 14.709 0.593 -5.377 79 HG22 VAL 10 1HG2 VAL 10 15.583 0.199 -3.895 80 HG23 VAL 10 2HG2 VAL 10 14.057 1.080 -3.813 81 H VAL 11 H VAL 11 11.513 -1.568 -1.740 82 HA VAL 11 HA VAL 11 11.198 -4.527 -2.178 83 HB VAL 11 HB VAL 11 10.106 -2.671 -0.040 84 HG11 VAL 11 1HG1 VAL 11 9.298 -5.477 -0.821 85 HG12 VAL 11 2HG1 VAL 11 8.260 -4.078 -0.547 86 HG13 VAL 11 3HG1 VAL 11 9.055 -4.867 0.817 87 HG21 VAL 11 3HG2 VAL 11 11.644 -5.263 0.239 88 HG22 VAL 11 1HG2 VAL 11 11.366 -4.029 1.469 89 HG23 VAL 11 2HG2 VAL 11 12.448 -3.700 0.115 90 H ARG 12 H ARG 12 9.524 -5.142 -3.460 91 HA ARG 12 HA ARG 12 7.437 -3.099 -4.176 92 HB2 ARG 12 2HB ARG 12 8.827 -5.132 -5.945 93 HB3 ARG 12 3HB ARG 12 7.406 -4.206 -6.434 94 HG2 ARG 12 2HG ARG 12 8.642 -2.101 -6.017 95 HG3 ARG 12 3HG ARG 12 10.066 -3.038 -5.560 96 HD2 ARG 12 2HD ARG 12 8.705 -3.274 -8.254 97 HD3 ARG 12 3HD ARG 12 10.089 -2.226 -7.948 98 HE ARG 12 HE ARG 12 10.815 -4.797 -7.042 99 HH11 ARG 12 1HH2 ARG 12 9.852 -3.193 -9.943 100 HH12 ARG 12 2HH2 ARG 12 10.771 -4.232 -10.978 101 HH21 ARG 12 1HH1 ARG 12 12.025 -6.160 -8.381 102 HH22 ARG 12 2HH1 ARG 12 12.001 -5.911 -10.095 103 H ARG 13 H ARG 13 5.351 -3.820 -4.036 104 HA ARG 13 HA ARG 13 4.865 -6.753 -3.731 105 HB2 ARG 13 2HB ARG 13 4.045 -4.532 -1.853 106 HB3 ARG 13 3HB ARG 13 3.164 -6.056 -1.903 107 HG2 ARG 13 2HG ARG 13 6.166 -6.028 -1.568 108 HG3 ARG 13 3HG ARG 13 5.108 -5.788 -0.179 109 HD2 ARG 13 2HD ARG 13 3.941 -7.930 -0.756 110 HD3 ARG 13 3HD ARG 13 5.127 -8.188 -2.032 111 HE ARG 13 HE ARG 13 6.210 -7.770 0.681 112 HH11 ARG 13 1HH2 ARG 13 5.293 -9.917 -1.874 113 HH12 ARG 13 2HH2 ARG 13 6.242 -11.233 -1.276 114 HH21 ARG 13 1HH1 ARG 13 7.427 -9.491 1.469 115 HH22 ARG 13 2HH1 ARG 13 7.450 -10.993 0.612 116 H GLU 14 H GLU 14 2.723 -7.399 -4.270 117 HA GLU 14 HA GLU 14 0.992 -5.344 -5.569 118 HB2 GLU 14 2HB GLU 14 2.003 -7.905 -6.833 119 HB3 GLU 14 3HB GLU 14 0.652 -6.968 -7.474 120 HG2 GLU 14 2HG GLU 14 2.105 -5.004 -7.709 121 HG3 GLU 14 3HG GLU 14 3.458 -5.907 -7.031 122 H ALA 15 H ALA 15 -1.233 -5.958 -5.602 123 HA ALA 15 HA ALA 15 -2.001 -8.568 -4.457 124 HB1 ALA 15 3HB ALA 15 -1.676 -7.356 -2.409 125 HB2 ALA 15 1HB ALA 15 -3.416 -7.395 -2.699 126 HB3 ALA 15 2HB ALA 15 -2.495 -5.931 -3.052 127 H HIS 16 H HIS 16 -4.223 -9.047 -4.858 128 HA HIS 16 HA HIS 16 -5.502 -7.244 -6.879 129 HB2 HIS 16 2HB HIS 16 -6.803 -9.236 -7.519 130 HB3 HIS 16 3HB HIS 16 -5.073 -9.573 -7.590 131 HD1 HIS 16 HD1 HIS 16 -4.065 -11.056 -5.663 132 HD2 HIS 16 HD2 HIS 16 -8.219 -10.715 -5.577 133 HE1 HIS 16 HE1 HIS 16 -4.900 -12.876 -4.111 134 H LEU 17 H LEU 17 -6.985 -5.911 -5.958 135 HA LEU 17 HA LEU 17 -8.567 -6.904 -3.611 136 HB2 LEU 17 2HB LEU 17 -8.046 -4.073 -4.581 137 HB3 LEU 17 3HB LEU 17 -9.023 -4.510 -3.178 138 HG LEU 17 HG LEU 17 -6.771 -5.861 -2.523 139 HD11 LEU 17 1HD1 LEU 17 -5.797 -3.494 -4.156 140 HD12 LEU 17 2HD1 LEU 17 -5.531 -5.194 -4.540 141 HD13 LEU 17 3HD1 LEU 17 -4.790 -4.489 -3.104 142 HD21 LEU 17 3HD2 LEU 17 -6.058 -3.742 -1.276 143 HD22 LEU 17 1HD2 LEU 17 -7.717 -4.277 -1.010 144 HD23 LEU 17 2HD2 LEU 17 -7.389 -2.928 -2.100 145 H ALA 18 H ALA 18 -10.688 -7.297 -3.924 146 HA ALA 18 HA ALA 18 -11.869 -6.758 -6.558 147 HB1 ALA 18 3HB ALA 18 -13.081 -8.034 -4.097 148 HB2 ALA 18 1HB ALA 18 -12.242 -8.909 -5.376 149 HB3 ALA 18 2HB ALA 18 -13.755 -8.073 -5.725 150 H ALA 19 H ALA 19 -11.743 -4.348 -6.218 151 HA ALA 19 HA ALA 19 -14.295 -3.284 -5.508 152 HB1 ALA 19 3HB ALA 19 -13.254 -1.822 -3.562 153 HB2 ALA 19 1HB ALA 19 -12.123 -3.170 -3.433 154 HB3 ALA 19 2HB ALA 19 -13.852 -3.446 -3.215 155 HA PRO 20 HA PRO 20 -12.667 -0.106 -8.118 156 HB2 PRO 20 2HB PRO 20 -13.956 2.154 -7.044 157 HB3 PRO 20 3HB PRO 20 -14.656 1.042 -8.233 158 HG2 PRO 20 2HG PRO 20 -15.080 1.175 -5.293 159 HG3 PRO 20 3HG PRO 20 -16.210 0.720 -6.579 160 HD2 PRO 20 2HD PRO 20 -15.021 -1.121 -4.947 161 HD3 PRO 20 3HD PRO 20 -15.478 -1.483 -6.626 162 HA PRO 21 HA PRO 21 -9.201 1.835 -6.172 163 HB2 PRO 21 2HB PRO 21 -9.078 4.287 -7.495 164 HB3 PRO 21 3HB PRO 21 -8.500 2.752 -8.170 165 HG2 PRO 21 2HG PRO 21 -11.072 4.183 -8.663 166 HG3 PRO 21 3HG PRO 21 -10.044 3.286 -9.793 167 HD2 PRO 21 2HD PRO 21 -12.329 2.222 -8.776 168 HD3 PRO 21 3HD PRO 21 -10.912 1.219 -9.158 169 H ALA 22 H ALA 22 -12.155 3.740 -6.335 170 HA ALA 22 HA ALA 22 -11.429 5.766 -4.450 171 HB1 ALA 22 3HB ALA 22 -14.108 4.613 -5.261 172 HB2 ALA 22 1HB ALA 22 -13.350 6.088 -5.860 173 HB3 ALA 22 2HB ALA 22 -13.936 6.010 -4.198 174 H ALA 23 H ALA 23 -12.917 2.556 -4.025 175 HA ALA 23 HA ALA 23 -13.499 2.857 -1.238 176 HB1 ALA 23 3HB ALA 23 -12.956 0.422 -2.949 177 HB2 ALA 23 1HB ALA 23 -14.522 1.051 -2.437 178 HB3 ALA 23 2HB ALA 23 -13.440 0.316 -1.255 179 H VAL 24 H VAL 24 -10.627 1.614 -2.940 180 HA VAL 24 HA VAL 24 -9.212 0.785 -0.603 181 HB VAL 24 HB VAL 24 -8.193 1.737 -3.295 182 HG11 VAL 24 1HG1 VAL 24 -6.163 0.350 -2.562 183 HG12 VAL 24 2HG1 VAL 24 -6.813 0.461 -0.928 184 HG13 VAL 24 3HG1 VAL 24 -6.357 1.927 -1.800 185 HG21 VAL 24 3HG2 VAL 24 -7.909 -0.738 -3.649 186 HG22 VAL 24 1HG2 VAL 24 -9.594 -0.248 -3.471 187 HG23 VAL 24 2HG2 VAL 24 -8.750 -1.009 -2.124 188 H PHE 25 H PHE 25 -9.148 3.867 -2.407 189 HA PHE 25 HA PHE 25 -7.214 5.163 -0.760 190 HB2 PHE 25 2HB PHE 25 -7.906 6.056 -2.946 191 HB3 PHE 25 3HB PHE 25 -9.521 6.375 -2.314 192 HD1 PHE 25 HD1 PHE 25 -5.924 7.271 -1.980 193 HD2 PHE 25 HD2 PHE 25 -9.971 8.299 -0.974 194 HE1 PHE 25 HE1 PHE 25 -5.152 9.462 -1.113 195 HE2 PHE 25 HE2 PHE 25 -9.200 10.489 -0.107 196 HZ PHE 25 HZ PHE 25 -6.790 11.072 -0.177 197 H ALA 26 H ALA 26 -10.768 5.022 -0.531 198 HA ALA 26 HA ALA 26 -11.152 6.805 1.605 199 HB1 ALA 26 3HB ALA 26 -13.181 5.540 2.105 200 HB2 ALA 26 1HB ALA 26 -12.562 4.145 1.220 201 HB3 ALA 26 2HB ALA 26 -12.972 5.626 0.356 202 H LEU 27 H LEU 27 -10.207 3.372 1.700 203 HA LEU 27 HA LEU 27 -10.162 3.138 4.552 204 HB2 LEU 27 2HB LEU 27 -8.647 1.697 2.361 205 HB3 LEU 27 3HB LEU 27 -8.531 1.237 4.057 206 HG LEU 27 HG LEU 27 -11.184 1.451 2.606 207 HD11 LEU 27 1HD1 LEU 27 -9.444 -1.001 2.988 208 HD12 LEU 27 2HD1 LEU 27 -9.748 -0.191 1.454 209 HD13 LEU 27 3HD1 LEU 27 -11.068 -0.991 2.304 210 HD21 LEU 27 3HD2 LEU 27 -10.246 0.319 5.252 211 HD22 LEU 27 1HD2 LEU 27 -11.697 -0.321 4.482 212 HD23 LEU 27 2HD2 LEU 27 -11.614 1.380 4.924 213 H MET 28 H MET 28 -7.679 4.099 2.196 214 HA MET 28 HA MET 28 -5.551 4.374 4.096 215 HB2 MET 28 2HB MET 28 -6.056 5.582 1.373 216 HB3 MET 28 3HB MET 28 -4.594 5.930 2.296 217 HG2 MET 28 2HG MET 28 -4.108 3.506 2.423 218 HG3 MET 28 3HG MET 28 -5.549 3.178 1.459 219 HE1 MET 28 3HE MET 28 -3.092 1.961 0.644 220 HE2 MET 28 1HE MET 28 -2.709 2.418 -1.021 221 HE3 MET 28 2HE MET 28 -4.355 1.970 -0.585 222 H THR 29 H THR 29 -7.971 6.702 2.878 223 HA THR 29 HA THR 29 -6.856 8.797 4.658 224 HB THR 29 HB THR 29 -9.331 9.036 2.936 225 HG1 THR 29 HG1 THR 29 -7.228 10.052 1.724 226 HG21 THR 29 3HG2 THR 29 -8.756 10.819 4.605 227 HG22 THR 29 1HG2 THR 29 -8.746 11.391 2.936 228 HG23 THR 29 2HG2 THR 29 -7.225 11.052 3.761 229 H ASP 30 H ASP 30 -7.663 6.837 6.257 230 HA ASP 30 HA ASP 30 -9.850 8.042 7.756 231 HB2 ASP 30 2HB ASP 30 -10.238 5.450 6.263 232 HB3 ASP 30 3HB ASP 30 -11.103 5.754 7.769 233 HA PRO 31 HA PRO 31 -6.441 6.105 10.245 234 HB2 PRO 31 2HB PRO 31 -7.823 7.851 12.260 235 HB3 PRO 31 3HB PRO 31 -6.087 7.649 11.949 236 HG2 PRO 31 2HG PRO 31 -7.377 9.818 11.117 237 HG3 PRO 31 3HG PRO 31 -6.116 9.067 10.120 238 HD2 PRO 31 2HD PRO 31 -9.094 8.977 9.776 239 HD3 PRO 31 3HD PRO 31 -7.815 8.996 8.541 240 H GLU 32 H GLU 32 -9.838 6.563 11.196 241 HA GLU 32 HA GLU 32 -9.863 4.550 13.240 242 HB2 GLU 32 2HB GLU 32 -11.570 6.442 12.733 243 HB3 GLU 32 3HB GLU 32 -12.262 5.315 11.569 244 HG2 GLU 32 2HG GLU 32 -11.817 4.674 14.499 245 HG3 GLU 32 3HG GLU 32 -13.354 5.212 13.824 246 H LYS 33 H LYS 33 -10.762 4.463 9.788 247 HA LYS 33 HA LYS 33 -11.572 1.709 9.779 248 HB2 LYS 33 2HB LYS 33 -10.545 3.495 7.552 249 HB3 LYS 33 3HB LYS 33 -11.228 1.889 7.296 250 HG2 LYS 33 2HG LYS 33 -13.338 2.612 8.362 251 HG3 LYS 33 3HG LYS 33 -12.662 4.222 8.607 252 HD2 LYS 33 2HD LYS 33 -12.373 4.460 6.156 253 HD3 LYS 33 3HD LYS 33 -13.093 2.869 5.928 254 HE2 LYS 33 2HE LYS 33 -15.182 3.644 6.966 255 HE3 LYS 33 3HE LYS 33 -14.468 5.235 7.232 256 HZ1 LYS 33 3HZ LYS 33 -15.453 5.631 5.253 257 HZ2 LYS 33 1HZ LYS 33 -15.409 4.009 4.761 258 HZ3 LYS 33 2HZ LYS 33 -14.010 4.968 4.649 259 H ILE 34 H ILE 34 -8.403 3.267 9.235 260 HA ILE 34 HA ILE 34 -7.068 0.912 8.327 261 HB ILE 34 HB ILE 34 -6.016 3.320 9.831 262 HG12 ILE 34 2HG1 ILE 34 -5.761 2.567 6.905 263 HG13 ILE 34 3HG1 ILE 34 -7.035 3.622 7.523 264 HG21 ILE 34 1HG2 ILE 34 -3.796 2.501 8.807 265 HG22 ILE 34 2HG2 ILE 34 -4.612 0.955 8.573 266 HG23 ILE 34 3HG2 ILE 34 -4.407 1.604 10.199 267 HD11 ILE 34 3HD1 ILE 34 -4.047 4.098 7.680 268 HD12 ILE 34 1HD1 ILE 34 -5.249 5.093 8.502 269 HD13 ILE 34 2HD1 ILE 34 -5.218 5.022 6.741 270 H LEU 35 H LEU 35 -7.434 2.269 11.605 271 HA LEU 35 HA LEU 35 -5.975 0.138 12.895 272 HB2 LEU 35 2HB LEU 35 -8.067 2.036 14.006 273 HB3 LEU 35 3HB LEU 35 -6.980 1.038 14.972 274 HG LEU 35 HG LEU 35 -6.082 3.153 12.989 275 HD11 LEU 35 1HD1 LEU 35 -7.086 4.312 14.803 276 HD12 LEU 35 2HD1 LEU 35 -5.361 4.305 15.171 277 HD13 LEU 35 3HD1 LEU 35 -6.443 3.177 15.990 278 HD21 LEU 35 3HD2 LEU 35 -3.916 2.788 14.459 279 HD22 LEU 35 1HD2 LEU 35 -4.274 1.669 13.149 280 HD23 LEU 35 2HD2 LEU 35 -4.649 1.224 14.814 281 H ARG 36 H ARG 36 -9.111 0.355 11.552 282 HA ARG 36 HA ARG 36 -10.517 -1.461 13.242 283 HB2 ARG 36 2HB ARG 36 -11.509 0.016 11.422 284 HB3 ARG 36 3HB ARG 36 -10.894 -1.144 10.248 285 HG2 ARG 36 2HG ARG 36 -12.533 -2.256 12.505 286 HG3 ARG 36 3HG ARG 36 -13.388 -1.324 11.283 287 HD2 ARG 36 2HD ARG 36 -12.344 -2.774 9.522 288 HD3 ARG 36 3HD ARG 36 -11.666 -3.771 10.806 289 HE ARG 36 HE ARG 36 -14.584 -3.374 10.919 290 HH11 ARG 36 1HH2 ARG 36 -11.885 -5.304 9.947 291 HH12 ARG 36 2HH2 ARG 36 -12.807 -6.764 9.835 292 HH21 ARG 36 1HH1 ARG 36 -15.795 -5.278 10.773 293 HH22 ARG 36 2HH1 ARG 36 -15.013 -6.752 10.303 294 H TRP 37 H TRP 37 -8.504 -1.988 10.328 295 HA TRP 37 HA TRP 37 -8.709 -4.936 10.831 296 HB2 TRP 37 2HB TRP 37 -7.616 -5.069 8.523 297 HB3 TRP 37 3HB TRP 37 -9.283 -4.510 8.598 298 HD1 TRP 37 HD1 TRP 37 -9.758 -1.945 8.142 299 HE1 TRP 37 HE1 TRP 37 -8.376 -0.140 6.933 300 HE3 TRP 37 HE3 TRP 37 -5.195 -4.231 8.077 301 HZ2 TRP 37 HZ2 TRP 37 -5.686 0.282 6.056 302 HZ3 TRP 37 HZ3 TRP 37 -3.240 -3.107 7.050 303 HH2 TRP 37 HH2 TRP 37 -3.479 -0.855 6.040 304 H MET 38 H MET 38 -6.994 -2.924 12.276 305 HA MET 38 HA MET 38 -4.984 -3.297 13.459 306 HB2 MET 38 2HB MET 38 -5.033 -5.675 12.346 307 HB3 MET 38 3HB MET 38 -3.852 -4.986 11.234 308 HG2 MET 38 2HG MET 38 -2.597 -5.979 13.013 309 HG3 MET 38 3HG MET 38 -2.533 -4.235 13.264 310 HE1 MET 38 3HE MET 38 -3.469 -7.160 16.349 311 HE2 MET 38 1HE MET 38 -2.044 -6.702 15.406 312 HE3 MET 38 2HE MET 38 -3.350 -7.615 14.650 313 H GLY 39 H GLY 39 -3.016 -2.181 13.394 314 HA2 GLY 39 2HA GLY 39 -1.771 -1.249 10.977 315 HA3 GLY 39 3HA GLY 39 -2.802 0.019 11.647 316 H THR 40 H THR 40 -0.679 1.157 11.936 317 HA THR 40 HA THR 40 0.866 0.189 14.319 318 HB THR 40 HB THR 40 2.669 1.597 13.536 319 HG1 THR 40 HG1 THR 40 1.556 2.377 11.197 320 HG21 THR 40 3HG2 THR 40 3.207 0.461 11.506 321 HG22 THR 40 1HG2 THR 40 1.506 0.267 11.084 322 HG23 THR 40 2HG2 THR 40 2.192 -0.653 12.422 323 H GLU 41 H GLU 41 -1.496 1.198 15.032 324 HA GLU 41 HA GLU 41 -2.550 2.790 16.367 325 HB2 GLU 41 2HB GLU 41 0.331 3.621 16.786 326 HB3 GLU 41 3HB GLU 41 -1.026 4.294 17.686 327 HG2 GLU 41 2HG GLU 41 -1.626 2.080 18.516 328 HG3 GLU 41 3HG GLU 41 -0.346 1.344 17.549 329 H ALA 42 H ALA 42 -3.556 4.748 16.067 330 HA ALA 42 HA ALA 42 -2.310 6.916 14.593 331 HB1 ALA 42 3HB ALA 42 -2.974 5.285 12.779 332 HB2 ALA 42 1HB ALA 42 -3.700 6.885 12.629 333 HB3 ALA 42 2HB ALA 42 -4.651 5.539 13.262 334 H GLU 43 H GLU 43 -3.496 8.841 14.783 335 HA GLU 43 HA GLU 43 -5.581 8.785 16.866 336 HB2 GLU 43 2HB GLU 43 -4.155 11.059 15.459 337 HB3 GLU 43 3HB GLU 43 -5.366 11.283 16.722 338 HG2 GLU 43 2HG GLU 43 -2.850 9.633 17.078 339 HG3 GLU 43 3HG GLU 43 -2.989 11.324 17.563 340 H VAL 44 H VAL 44 -7.556 10.127 16.549 341 HA VAL 44 HA VAL 44 -8.479 10.233 13.703 342 HB VAL 44 HB VAL 44 -9.301 8.156 14.910 343 HG11 VAL 44 1HG1 VAL 44 -9.547 9.393 17.131 344 HG12 VAL 44 2HG1 VAL 44 -10.912 8.375 16.672 345 HG13 VAL 44 3HG1 VAL 44 -11.007 10.122 16.462 346 HG21 VAL 44 3HG2 VAL 44 -11.623 8.459 14.149 347 HG22 VAL 44 1HG2 VAL 44 -10.499 9.171 12.991 348 HG23 VAL 44 2HG2 VAL 44 -11.389 10.207 14.108 349 H GLU 45 H GLU 45 -9.871 11.954 13.260 350 HA GLU 45 HA GLU 45 -11.087 13.527 15.356 351 HB2 GLU 45 2HB GLU 45 -9.686 15.638 14.522 352 HB3 GLU 45 3HB GLU 45 -9.067 14.599 15.804 353 HG2 GLU 45 2HG GLU 45 -7.565 13.490 14.360 354 HG3 GLU 45 3HG GLU 45 -8.418 14.026 12.911 355 HA PRO 46 HA PRO 46 -13.894 14.723 12.135 356 HB2 PRO 46 2HB PRO 46 -13.170 17.567 12.800 357 HB3 PRO 46 3HB PRO 46 -14.775 16.834 12.586 358 HG2 PRO 46 2HG PRO 46 -13.760 17.350 15.018 359 HG3 PRO 46 3HG PRO 46 -14.800 15.948 14.706 360 HD2 PRO 46 2HD PRO 46 -11.885 16.009 15.273 361 HD3 PRO 46 3HD PRO 46 -13.044 14.673 15.443 362 H GLU 47 H GLU 47 -10.828 16.543 12.260 363 HA GLU 47 HA GLU 47 -10.917 16.907 9.309 364 HB2 GLU 47 2HB GLU 47 -10.295 18.795 10.912 365 HB3 GLU 47 3HB GLU 47 -8.790 17.920 11.204 366 HG2 GLU 47 2HG GLU 47 -8.234 17.997 8.832 367 HG3 GLU 47 3HG GLU 47 -9.781 18.754 8.460 368 HA PRO 48 HA PRO 48 -8.499 13.008 9.181 369 HB2 PRO 48 2HB PRO 48 -7.961 14.025 6.409 370 HB3 PRO 48 3HB PRO 48 -8.482 12.413 6.936 371 HG2 PRO 48 2HG PRO 48 -10.182 14.155 5.810 372 HG3 PRO 48 3HG PRO 48 -10.691 13.027 7.080 373 HD2 PRO 48 2HD PRO 48 -10.266 15.974 7.250 374 HD3 PRO 48 3HD PRO 48 -11.331 14.926 8.213 375 H GLY 49 H GLY 49 -6.361 12.659 9.637 376 HA2 GLY 49 2HA GLY 49 -4.008 13.479 8.688 377 HA3 GLY 49 3HA GLY 49 -4.496 14.970 9.504 378 H GLY 50 H GLY 50 -5.816 13.809 11.734 379 HA2 GLY 50 2HA GLY 50 -5.388 12.754 13.797 380 HA3 GLY 50 3HA GLY 50 -4.052 11.895 13.030 381 H LEU 51 H LEU 51 -4.095 15.317 12.656 382 HA LEU 51 HA LEU 51 -2.603 16.960 13.403 383 HB2 LEU 51 2HB LEU 51 -2.707 15.413 16.005 384 HB3 LEU 51 3HB LEU 51 -2.277 17.111 15.797 385 HG LEU 51 HG LEU 51 -4.984 15.887 15.177 386 HD11 LEU 51 1HD1 LEU 51 -4.679 16.018 17.560 387 HD12 LEU 51 2HD1 LEU 51 -5.685 17.390 17.097 388 HD13 LEU 51 3HD1 LEU 51 -3.972 17.627 17.441 389 HD21 LEU 51 3HD2 LEU 51 -4.796 17.699 13.690 390 HD22 LEU 51 1HD2 LEU 51 -3.806 18.643 14.804 391 HD23 LEU 51 2HD2 LEU 51 -5.536 18.457 15.098 392 H TYR 52 H TYR 52 -1.369 14.323 15.446 393 HA TYR 52 HA TYR 52 1.355 14.882 14.602 394 HB2 TYR 52 2HB TYR 52 0.175 12.667 16.297 395 HB3 TYR 52 3HB TYR 52 1.906 12.923 16.060 396 HD1 TYR 52 HD1 TYR 52 -1.185 14.312 17.531 397 HD2 TYR 52 HD2 TYR 52 3.053 14.816 17.050 398 HE1 TYR 52 HE1 TYR 52 -1.188 16.042 19.308 399 HE2 TYR 52 HE2 TYR 52 3.051 16.544 18.829 400 HH TYR 52 HH TYR 52 0.988 18.224 19.754 401 H LEU 53 H LEU 53 2.783 13.309 13.582 402 HA LEU 53 HA LEU 53 1.545 12.017 11.291 403 HB2 LEU 53 2HB LEU 53 3.734 13.074 11.080 404 HB3 LEU 53 3HB LEU 53 4.392 12.034 12.340 405 HG LEU 53 HG LEU 53 4.082 10.062 10.933 406 HD11 LEU 53 1HD1 LEU 53 2.136 10.461 9.672 407 HD12 LEU 53 2HD1 LEU 53 3.413 10.582 8.464 408 HD13 LEU 53 3HD1 LEU 53 2.690 12.046 9.132 409 HD21 LEU 53 3HD2 LEU 53 6.153 11.376 10.679 410 HD22 LEU 53 1HD2 LEU 53 5.382 12.360 9.436 411 HD23 LEU 53 2HD2 LEU 53 5.683 10.647 9.142 412 H VAL 54 H VAL 54 0.799 9.947 11.234 413 HA VAL 54 HA VAL 54 2.009 7.900 13.039 414 HB VAL 54 HB VAL 54 -0.265 7.062 13.587 415 HG11 VAL 54 1HG1 VAL 54 0.965 8.537 15.146 416 HG12 VAL 54 2HG1 VAL 54 -0.775 8.805 15.248 417 HG13 VAL 54 3HG1 VAL 54 0.242 9.947 14.371 418 HG21 VAL 54 3HG2 VAL 54 -1.628 7.917 11.830 419 HG22 VAL 54 1HG2 VAL 54 -1.056 9.567 12.081 420 HG23 VAL 54 2HG2 VAL 54 -2.129 8.820 13.260 421 H ASN 55 H ASN 55 1.461 5.692 12.363 422 HA ASN 55 HA ASN 55 1.876 4.234 10.493 423 HB2 ASN 55 2HB ASN 55 -0.264 3.376 9.871 424 HB3 ASN 55 3HB ASN 55 -0.397 3.948 11.533 425 HD21 ASN 55 1HD2 ASN 55 -2.811 3.842 10.460 426 HD22 ASN 55 2HD2 ASN 55 -3.368 5.341 9.894 427 H VAL 56 H VAL 56 -0.172 4.344 8.256 428 HA VAL 56 HA VAL 56 1.543 5.702 6.345 429 HB VAL 56 HB VAL 56 -0.169 4.989 4.692 430 HG11 VAL 56 1HG1 VAL 56 0.494 2.833 6.719 431 HG12 VAL 56 2HG1 VAL 56 1.620 3.442 5.505 432 HG13 VAL 56 3HG1 VAL 56 0.156 2.593 5.005 433 HG21 VAL 56 3HG2 VAL 56 -2.021 3.488 5.675 434 HG22 VAL 56 1HG2 VAL 56 -2.227 5.227 5.873 435 HG23 VAL 56 2HG2 VAL 56 -1.657 4.248 7.223 436 H THR 57 H THR 57 1.283 7.708 5.460 437 HA THR 57 HA THR 57 -1.141 9.301 6.264 438 HB THR 57 HB THR 57 1.718 10.233 5.837 439 HG1 THR 57 HG1 THR 57 1.821 9.736 7.860 440 HG21 THR 57 3HG2 THR 57 0.761 12.411 6.694 441 HG22 THR 57 1HG2 THR 57 -0.843 11.714 6.461 442 HG23 THR 57 2HG2 THR 57 0.223 11.954 5.077 443 H GLY 58 H GLY 58 -2.313 10.079 4.578 444 HA2 GLY 58 2HA GLY 58 -1.137 9.892 1.829 445 HA3 GLY 58 3HA GLY 58 -2.860 9.820 2.200 446 H ALA 59 H ALA 59 -3.831 11.626 1.475 447 HA ALA 59 HA ALA 59 -2.330 14.179 1.362 448 HB1 ALA 59 3HB ALA 59 -3.649 13.389 -0.588 449 HB2 ALA 59 1HB ALA 59 -4.205 14.954 0.008 450 HB3 ALA 59 2HB ALA 59 -5.113 13.492 0.390 451 H ARG 60 H ARG 60 -4.334 16.024 1.619 452 HA ARG 60 HA ARG 60 -5.388 17.331 3.244 453 HB2 ARG 60 2HB ARG 60 -6.330 14.574 4.097 454 HB3 ARG 60 3HB ARG 60 -6.954 16.081 4.766 455 HG2 ARG 60 2HG ARG 60 -7.674 16.805 2.535 456 HG3 ARG 60 3HG ARG 60 -7.010 15.333 1.828 457 HD2 ARG 60 2HD ARG 60 -8.573 13.977 3.179 458 HD3 ARG 60 3HD ARG 60 -9.241 15.451 3.883 459 HE ARG 60 HE ARG 60 -9.418 15.687 1.059 460 HH11 ARG 60 1HH2 ARG 60 -10.622 13.795 3.679 461 HH12 ARG 60 2HH2 ARG 60 -12.137 13.458 2.912 462 HH21 ARG 60 1HH1 ARG 60 -11.389 15.257 0.042 463 HH22 ARG 60 2HH1 ARG 60 -12.572 14.288 0.853 464 H PHE 61 H PHE 61 -2.801 15.462 3.884 465 HA PHE 61 HA PHE 61 -2.749 15.750 6.812 466 HB2 PHE 61 2HB PHE 61 -1.676 13.798 5.801 467 HB3 PHE 61 3HB PHE 61 -0.643 14.844 4.825 468 HD1 PHE 61 HD2 PHE 61 -1.537 14.008 8.349 469 HD2 PHE 61 HD1 PHE 61 1.402 15.670 5.695 470 HE1 PHE 61 HE2 PHE 61 0.086 14.124 10.221 471 HE2 PHE 61 HE1 PHE 61 3.026 15.786 7.566 472 HZ PHE 61 HZ PHE 61 2.368 15.011 9.828 473 H ALA 62 H ALA 62 -0.427 16.773 4.294 474 HA ALA 62 HA ALA 62 -0.530 19.562 4.916 475 HB1 ALA 62 3HB ALA 62 0.424 19.074 7.051 476 HB2 ALA 62 1HB ALA 62 1.760 19.650 6.055 477 HB3 ALA 62 2HB ALA 62 1.566 17.924 6.354 478 H ARG 63 H ARG 63 1.660 20.615 4.083 479 HA ARG 63 HA ARG 63 2.818 18.975 1.864 480 HB2 ARG 63 2HB ARG 63 1.663 21.767 1.631 481 HB3 ARG 63 3HB ARG 63 2.642 20.990 0.386 482 HG2 ARG 63 2HG ARG 63 1.012 19.155 0.228 483 HG3 ARG 63 3HG ARG 63 0.036 19.902 1.495 484 HD2 ARG 63 2HD ARG 63 -0.901 20.486 -0.680 485 HD3 ARG 63 3HD ARG 63 -0.200 21.931 0.052 486 HE ARG 63 HE ARG 63 1.775 20.645 -1.574 487 HH11 ARG 63 1HH2 ARG 63 -1.181 22.421 -1.719 488 HH12 ARG 63 2HH2 ARG 63 -0.837 23.118 -3.266 489 HH21 ARG 63 1HH1 ARG 63 2.237 21.545 -3.590 490 HH22 ARG 63 2HH1 ARG 63 1.099 22.624 -4.326 491 H GLY 64 H GLY 64 4.933 19.651 1.229 492 HA2 GLY 64 2HA GLY 64 6.507 21.765 1.753 493 HA3 GLY 64 3HA GLY 64 6.404 21.070 3.374 494 H SER 65 H SER 65 6.451 18.375 2.855 495 HA SER 65 HA SER 65 9.182 17.985 1.677 496 HB2 SER 65 2HB SER 65 9.281 15.968 3.089 497 HB3 SER 65 3HB SER 65 8.954 17.396 4.069 498 HG SER 65 HG SER 65 7.148 15.400 3.178 499 H PHE 66 H PHE 66 6.001 17.650 0.889 500 HA PHE 66 HA PHE 66 5.973 14.975 -0.234 501 HB2 PHE 66 2HB PHE 66 4.233 17.420 -0.585 502 HB3 PHE 66 3HB PHE 66 3.944 15.937 -1.493 503 HD1 PHE 66 HD2 PHE 66 4.383 17.249 1.978 504 HD2 PHE 66 HD1 PHE 66 2.766 14.143 -0.508 505 HE1 PHE 66 HE2 PHE 66 3.226 16.278 3.945 506 HE2 PHE 66 HE1 PHE 66 1.611 13.168 1.458 507 HZ PHE 66 HZ PHE 66 1.842 14.236 3.685 508 H ARG 67 H ARG 67 6.253 14.365 -2.398 509 HA ARG 67 HA ARG 67 7.763 16.316 -4.097 510 HB2 ARG 67 2HB ARG 67 7.634 13.284 -4.112 511 HB3 ARG 67 3HB ARG 67 8.502 14.241 -5.313 512 HG2 ARG 67 2HG ARG 67 9.928 15.199 -3.583 513 HG3 ARG 67 3HG ARG 67 9.008 14.370 -2.325 514 HD2 ARG 67 2HD ARG 67 11.050 13.112 -2.791 515 HD3 ARG 67 3HD ARG 67 9.655 12.186 -3.347 516 HE ARG 67 HE ARG 67 10.658 13.807 -5.493 517 HH11 ARG 67 1HH2 ARG 67 11.325 11.026 -3.562 518 HH12 ARG 67 2HH2 ARG 67 12.247 10.229 -4.794 519 HH21 ARG 67 1HH1 ARG 67 11.863 12.784 -7.109 520 HH22 ARG 67 2HH1 ARG 67 12.552 11.225 -6.799 521 H GLU 68 H GLU 68 4.957 14.193 -3.981 522 HA GLU 68 HA GLU 68 3.736 15.657 -6.195 523 HB2 GLU 68 2HB GLU 68 5.180 13.946 -7.360 524 HB3 GLU 68 3HB GLU 68 4.246 12.689 -6.557 525 HG2 GLU 68 2HG GLU 68 3.286 13.004 -8.747 526 HG3 GLU 68 3HG GLU 68 2.166 13.696 -7.576 527 H VAL 69 H VAL 69 1.548 15.688 -5.805 528 HA VAL 69 HA VAL 69 0.401 13.524 -4.056 529 HB VAL 69 HB VAL 69 -0.079 16.516 -3.972 530 HG11 VAL 69 1HG1 VAL 69 -1.640 14.215 -2.785 531 HG12 VAL 69 2HG1 VAL 69 -2.248 15.587 -3.711 532 HG13 VAL 69 3HG1 VAL 69 -1.671 15.823 -2.061 533 HG21 VAL 69 3HG2 VAL 69 0.877 14.504 -1.911 534 HG22 VAL 69 1HG2 VAL 69 0.628 16.225 -1.618 535 HG23 VAL 69 2HG2 VAL 69 1.885 15.692 -2.735 536 H VAL 70 H VAL 70 -1.213 12.489 -5.036 537 HA VAL 70 HA VAL 70 -3.086 13.939 -6.806 538 HB VAL 70 HB VAL 70 -1.920 11.327 -7.779 539 HG11 VAL 70 1HG1 VAL 70 -3.045 13.663 -9.337 540 HG12 VAL 70 2HG1 VAL 70 -4.082 12.408 -8.663 541 HG13 VAL 70 3HG1 VAL 70 -2.857 11.990 -9.863 542 HG21 VAL 70 3HG2 VAL 70 -0.881 14.126 -8.333 543 HG22 VAL 70 1HG2 VAL 70 -0.419 12.685 -9.238 544 HG23 VAL 70 2HG2 VAL 70 -0.004 12.823 -7.530 545 HA PRO 71 HA PRO 71 -5.208 11.240 -3.711 546 HB2 PRO 71 2HB PRO 71 -7.533 12.625 -5.003 547 HB3 PRO 71 3HB PRO 71 -7.198 12.353 -3.281 548 HG2 PRO 71 2HG PRO 71 -6.825 14.742 -4.387 549 HG3 PRO 71 3HG PRO 71 -5.711 14.117 -3.157 550 HD2 PRO 71 2HD PRO 71 -5.304 14.357 -6.114 551 HD3 PRO 71 3HD PRO 71 -4.120 14.496 -4.795 552 H VAL 72 H VAL 72 -6.351 9.336 -3.898 553 HA VAL 72 HA VAL 72 -6.792 7.317 -5.014 554 HB VAL 72 HB VAL 72 -8.985 8.361 -4.759 555 HG11 VAL 72 1HG1 VAL 72 -8.327 9.655 -7.414 556 HG12 VAL 72 2HG1 VAL 72 -8.750 10.448 -5.896 557 HG13 VAL 72 3HG1 VAL 72 -9.970 9.540 -6.788 558 HG21 VAL 72 3HG2 VAL 72 -10.063 6.798 -6.068 559 HG22 VAL 72 1HG2 VAL 72 -8.422 6.227 -6.351 560 HG23 VAL 72 2HG2 VAL 72 -9.210 7.267 -7.535 561 H HIS 73 H HIS 73 -4.555 8.492 -6.213 562 HA HIS 73 HA HIS 73 -4.770 7.291 -8.888 563 HB2 HIS 73 2HB HIS 73 -5.423 9.799 -9.049 564 HB3 HIS 73 3HB HIS 73 -3.718 10.118 -8.737 565 HD1 HIS 73 HD1 HIS 73 -5.866 8.104 -11.152 566 HD2 HIS 73 HD2 HIS 73 -2.130 9.946 -11.013 567 HE1 HIS 73 HE1 HIS 73 -4.873 7.880 -13.468 568 H ARG 74 H ARG 74 -2.478 9.639 -7.465 569 HA ARG 74 HA ARG 74 -0.508 7.449 -7.056 570 HB2 ARG 74 2HB ARG 74 -0.125 9.825 -8.885 571 HB3 ARG 74 3HB ARG 74 1.237 8.933 -8.205 572 HG2 ARG 74 2HG ARG 74 0.329 6.841 -9.184 573 HG3 ARG 74 3HG ARG 74 -0.987 7.768 -9.907 574 HD2 ARG 74 2HD ARG 74 0.610 9.084 -11.212 575 HD3 ARG 74 3HD ARG 74 1.958 8.256 -10.435 576 HE ARG 74 HE ARG 74 1.495 6.315 -11.747 577 HH11 ARG 74 1HH2 ARG 74 -0.877 8.806 -12.120 578 HH12 ARG 74 2HH2 ARG 74 -1.598 8.078 -13.514 579 HH21 ARG 74 1HH1 ARG 74 0.549 5.358 -13.549 580 HH22 ARG 74 2HH1 ARG 74 -0.798 6.129 -14.318 581 H LEU 75 H LEU 75 0.898 7.875 -5.369 582 HA LEU 75 HA LEU 75 0.855 10.608 -4.145 583 HB2 LEU 75 2HB LEU 75 0.503 7.969 -2.687 584 HB3 LEU 75 3HB LEU 75 0.694 9.534 -1.905 585 HG LEU 75 HG LEU 75 -1.532 8.890 -3.864 586 HD11 LEU 75 1HD1 LEU 75 -2.963 8.804 -1.804 587 HD12 LEU 75 2HD1 LEU 75 -1.490 8.844 -0.834 588 HD13 LEU 75 3HD1 LEU 75 -1.803 7.481 -1.909 589 HD21 LEU 75 3HD2 LEU 75 -1.316 11.235 -3.789 590 HD22 LEU 75 1HD2 LEU 75 -0.861 11.242 -2.087 591 HD23 LEU 75 2HD2 LEU 75 -2.531 10.925 -2.556 592 H ALA 76 H ALA 76 2.857 11.261 -3.437 593 HA ALA 76 HA ALA 76 4.993 9.242 -3.013 594 HB1 ALA 76 3HB ALA 76 6.501 10.210 -4.599 595 HB2 ALA 76 1HB ALA 76 5.437 11.589 -4.872 596 HB3 ALA 76 2HB ALA 76 4.980 9.994 -5.468 597 H TYR 77 H TYR 77 6.085 9.855 -1.188 598 HA TYR 77 HA TYR 77 6.650 12.688 -0.678 599 HB2 TYR 77 2HB TYR 77 5.538 12.716 1.533 600 HB3 TYR 77 3HB TYR 77 4.381 12.512 0.220 601 HD1 TYR 77 HD2 TYR 77 6.068 10.865 3.049 602 HD2 TYR 77 HD1 TYR 77 3.240 10.390 -0.148 603 HE1 TYR 77 HE2 TYR 77 5.250 8.764 4.085 604 HE2 TYR 77 HE1 TYR 77 2.421 8.292 0.887 605 HH TYR 77 HH TYR 77 2.702 6.819 2.524 606 H SER 78 H SER 78 8.039 12.945 1.261 607 HA SER 78 HA SER 78 9.369 10.422 2.165 608 HB2 SER 78 2HB SER 78 10.699 11.378 0.296 609 HB3 SER 78 3HB SER 78 10.794 12.911 1.160 610 HG SER 78 HG SER 78 12.352 12.095 2.292 611 H PHE 79 H PHE 79 10.079 10.544 4.329 612 HA PHE 79 HA PHE 79 10.080 13.176 5.687 613 HB2 PHE 79 2HB PHE 79 7.716 12.378 5.797 614 HB3 PHE 79 3HB PHE 79 8.274 10.924 6.624 615 HD1 PHE 79 HD2 PHE 79 8.309 14.656 6.833 616 HD2 PHE 79 HD1 PHE 79 8.625 10.939 8.964 617 HE1 PHE 79 HE2 PHE 79 8.302 15.889 8.984 618 HE2 PHE 79 HE1 PHE 79 8.619 12.173 11.115 619 HZ PHE 79 HZ PHE 79 8.457 14.648 11.125 620 H GLY 80 H GLY 80 11.773 13.189 7.091 621 HA2 GLY 80 2HA GLY 80 13.127 10.625 7.699 622 HA3 GLY 80 3HA GLY 80 13.785 12.234 7.982 623 H TRP 81 H TRP 81 14.265 10.875 10.064 624 HA TRP 81 HA TRP 81 12.113 10.459 11.949 625 HB2 TRP 81 2HB TRP 81 13.927 10.117 13.585 626 HB3 TRP 81 3HB TRP 81 14.262 9.243 12.091 627 HD1 TRP 81 HD1 TRP 81 16.329 9.964 10.677 628 HE1 TRP 81 HE1 TRP 81 18.266 11.619 11.074 629 HE3 TRP 81 HE3 TRP 81 14.521 12.494 14.732 630 HZ2 TRP 81 HZ2 TRP 81 18.959 13.733 12.869 631 HZ3 TRP 81 HZ3 TRP 81 15.839 14.323 15.762 632 HH2 TRP 81 HH2 TRP 81 18.054 14.945 14.837 633 H ASP 82 H ASP 82 11.346 11.814 13.536 634 HA ASP 82 HA ASP 82 12.710 14.388 14.083 635 HB2 ASP 82 2HB ASP 82 9.935 14.099 12.919 636 HB3 ASP 82 3HB ASP 82 10.378 15.511 13.878 637 H GLY 83 H GLY 83 13.024 12.947 16.032 638 HA2 GLY 83 2HA GLY 83 12.538 12.922 18.362 639 HA3 GLY 83 3HA GLY 83 10.940 13.579 18.016 640 H SER 84 H SER 84 10.930 11.286 15.829 641 HA SER 84 HA SER 84 9.513 9.394 17.580 642 HB2 SER 84 2HB SER 84 9.884 9.651 14.603 643 HB3 SER 84 3HB SER 84 9.168 8.203 15.307 644 HG SER 84 HG SER 84 7.667 9.927 14.728 645 H GLU 85 H GLU 85 9.989 7.081 17.555 646 HA GLU 85 HA GLU 85 12.706 6.464 18.097 647 HB2 GLU 85 2HB GLU 85 10.426 4.607 17.334 648 HB3 GLU 85 3HB GLU 85 11.964 4.082 18.010 649 HG2 GLU 85 2HG GLU 85 10.638 4.218 19.933 650 HG3 GLU 85 3HG GLU 85 11.406 5.802 19.925 651 H VAL 86 H VAL 86 13.755 7.404 16.210 652 HA VAL 86 HA VAL 86 14.477 7.447 13.946 653 HB VAL 86 HB VAL 86 15.692 5.153 13.542 654 HG11 VAL 86 1HG1 VAL 86 16.289 6.886 15.958 655 HG12 VAL 86 2HG1 VAL 86 16.791 7.223 14.303 656 HG13 VAL 86 3HG1 VAL 86 17.443 5.823 15.154 657 HG21 VAL 86 3HG2 VAL 86 14.268 3.900 15.174 658 HG22 VAL 86 1HG2 VAL 86 14.918 4.906 16.469 659 HG23 VAL 86 2HG2 VAL 86 15.984 3.824 15.576 660 H VAL 87 H VAL 87 12.612 7.661 12.714 661 HA VAL 87 HA VAL 87 10.727 6.940 11.456 662 HB VAL 87 HB VAL 87 11.641 5.655 9.441 663 HG11 VAL 87 1HG1 VAL 87 13.109 8.161 10.315 664 HG12 VAL 87 2HG1 VAL 87 11.496 8.140 9.608 665 HG13 VAL 87 3HG1 VAL 87 12.882 7.610 8.656 666 HG21 VAL 87 3HG2 VAL 87 13.517 4.605 10.837 667 HG22 VAL 87 1HG2 VAL 87 14.298 6.185 10.792 668 HG23 VAL 87 2HG2 VAL 87 14.004 5.304 9.295 669 HA PRO 88 HA PRO 88 10.147 2.869 13.647 670 HB2 PRO 88 2HB PRO 88 7.346 3.778 13.850 671 HB3 PRO 88 3HB PRO 88 8.453 3.262 15.127 672 HG2 PRO 88 2HG PRO 88 7.673 5.885 14.644 673 HG3 PRO 88 3HG PRO 88 9.075 5.386 15.599 674 HD2 PRO 88 2HD PRO 88 9.014 6.630 12.934 675 HD3 PRO 88 3HD PRO 88 10.381 6.445 14.046 676 HA PRO 89 HA PRO 89 7.028 1.865 10.221 677 HB2 PRO 89 2HB PRO 89 6.043 3.768 8.569 678 HB3 PRO 89 3HB PRO 89 5.378 3.504 10.193 679 HG2 PRO 89 2HG PRO 89 7.171 5.663 9.218 680 HG3 PRO 89 3HG PRO 89 5.906 5.719 10.456 681 HD2 PRO 89 2HD PRO 89 8.682 5.483 10.931 682 HD3 PRO 89 3HD PRO 89 7.397 5.216 12.121 683 H GLY 90 H GLY 90 9.743 3.815 9.748 684 HA2 GLY 90 2HA GLY 90 11.548 3.200 8.266 685 HA3 GLY 90 3HA GLY 90 10.380 2.423 7.191 686 H SER 91 H SER 91 8.525 4.751 7.431 687 HA SER 91 HA SER 91 8.056 6.491 5.870 688 HB2 SER 91 2HB SER 91 9.201 8.531 6.580 689 HB3 SER 91 3HB SER 91 8.788 7.556 7.988 690 HG SER 91 HG SER 91 10.976 6.679 7.765 691 H SER 92 H SER 92 11.438 7.370 5.983 692 HA SER 92 HA SER 92 12.932 7.757 4.211 693 HB2 SER 92 2HB SER 92 11.913 4.955 3.749 694 HB3 SER 92 3HB SER 92 13.169 5.664 2.742 695 HG SER 92 HG SER 92 13.457 4.518 5.080 696 H LEU 93 H LEU 93 11.632 5.826 1.793 697 HA LEU 93 HA LEU 93 10.216 8.165 0.544 698 HB2 LEU 93 2HB LEU 93 12.420 7.565 -0.514 699 HB3 LEU 93 3HB LEU 93 11.757 5.972 -0.874 700 HG LEU 93 HG LEU 93 9.923 7.064 -2.164 701 HD11 LEU 93 1HD1 LEU 93 10.614 9.548 -2.834 702 HD12 LEU 93 2HD1 LEU 93 11.371 9.531 -1.240 703 HD13 LEU 93 3HD1 LEU 93 9.636 9.241 -1.401 704 HD21 LEU 93 3HD2 LEU 93 11.384 7.759 -4.073 705 HD22 LEU 93 1HD2 LEU 93 11.897 6.242 -3.331 706 HD23 LEU 93 2HD2 LEU 93 12.766 7.735 -2.977 707 H VAL 94 H VAL 94 8.110 7.768 0.268 708 HA VAL 94 HA VAL 94 7.192 4.929 -0.105 709 HB VAL 94 HB VAL 94 5.878 7.272 1.300 710 HG11 VAL 94 1HG1 VAL 94 4.089 6.263 0.108 711 HG12 VAL 94 2HG1 VAL 94 4.031 5.509 1.702 712 HG13 VAL 94 3HG1 VAL 94 4.740 4.641 0.342 713 HG21 VAL 94 3HG2 VAL 94 7.532 5.928 2.582 714 HG22 VAL 94 1HG2 VAL 94 6.607 4.472 2.216 715 HG23 VAL 94 2HG2 VAL 94 5.898 5.739 3.217 716 H GLU 95 H GLU 95 6.126 4.545 -1.962 717 HA GLU 95 HA GLU 95 4.835 6.799 -3.428 718 HB2 GLU 95 2HB GLU 95 6.867 4.854 -4.561 719 HB3 GLU 95 3HB GLU 95 5.804 5.841 -5.564 720 HG2 GLU 95 2HG GLU 95 6.717 7.883 -4.572 721 HG3 GLU 95 3HG GLU 95 7.737 6.929 -3.496 722 H ILE 96 H ILE 96 2.853 6.176 -4.157 723 HA ILE 96 HA ILE 96 2.271 3.236 -4.375 724 HB ILE 96 HB ILE 96 0.486 5.384 -3.193 725 HG12 ILE 96 2HG1 ILE 96 1.726 2.930 -1.909 726 HG13 ILE 96 3HG1 ILE 96 2.390 4.555 -1.760 727 HG21 ILE 96 1HG2 ILE 96 -0.878 3.810 -4.388 728 HG22 ILE 96 2HG2 ILE 96 -0.961 3.349 -2.689 729 HG23 ILE 96 3HG2 ILE 96 0.071 2.446 -3.799 730 HD11 ILE 96 3HD1 ILE 96 -0.371 3.670 -0.875 731 HD12 ILE 96 1HD1 ILE 96 0.231 5.326 -0.793 732 HD13 ILE 96 2HD1 ILE 96 0.985 4.063 0.182 733 H ASP 97 H ASP 97 1.295 2.675 -6.247 734 HA ASP 97 HA ASP 97 0.072 4.849 -7.928 735 HB2 ASP 97 2HB ASP 97 1.890 2.570 -8.755 736 HB3 ASP 97 3HB ASP 97 0.928 3.505 -9.901 737 H LEU 98 H LEU 98 -1.940 4.347 -8.699 738 HA LEU 98 HA LEU 98 -2.983 1.583 -8.149 739 HB2 LEU 98 2HB LEU 98 -4.512 4.173 -8.527 740 HB3 LEU 98 3HB LEU 98 -5.189 2.616 -8.055 741 HG LEU 98 HG LEU 98 -3.151 4.207 -6.468 742 HD11 LEU 98 1HD1 LEU 98 -6.083 3.645 -5.932 743 HD12 LEU 98 2HD1 LEU 98 -5.426 5.189 -6.476 744 HD13 LEU 98 3HD1 LEU 98 -4.993 4.557 -4.887 745 HD21 LEU 98 3HD2 LEU 98 -3.921 2.431 -4.693 746 HD22 LEU 98 1HD2 LEU 98 -2.722 1.967 -5.897 747 HD23 LEU 98 2HD2 LEU 98 -4.408 1.486 -6.101 748 H ILE 99 H ILE 99 -3.541 0.365 -9.864 749 HA ILE 99 HA ILE 99 -3.942 1.713 -12.520 750 HB ILE 99 HB ILE 99 -2.517 -0.894 -11.918 751 HG12 ILE 99 2HG1 ILE 99 -1.495 1.648 -13.215 752 HG13 ILE 99 3HG1 ILE 99 -1.305 1.296 -11.497 753 HG21 ILE 99 1HG2 ILE 99 -2.060 -0.727 -14.449 754 HG22 ILE 99 2HG2 ILE 99 -3.397 0.422 -14.493 755 HG23 ILE 99 3HG2 ILE 99 -3.676 -1.237 -13.963 756 HD11 ILE 99 3HD1 ILE 99 -0.129 -0.814 -12.087 757 HD12 ILE 99 1HD1 ILE 99 0.709 0.611 -12.703 758 HD13 ILE 99 2HD1 ILE 99 -0.258 -0.385 -13.792 759 H GLU 100 H GLU 100 -5.850 1.235 -13.435 760 HA GLU 100 HA GLU 100 -7.603 -0.742 -12.121 761 HB2 GLU 100 2HB GLU 100 -8.060 1.250 -14.359 762 HB3 GLU 100 3HB GLU 100 -9.312 0.193 -13.707 763 HG2 GLU 100 2HG GLU 100 -7.705 2.164 -12.055 764 HG3 GLU 100 3HG GLU 100 -9.326 2.474 -12.674 765 H GLN 101 H GLN 101 -8.218 -2.662 -12.997 766 HA GLN 101 HA GLN 101 -7.488 -3.272 -15.823 767 HB2 GLN 101 2HB GLN 101 -6.735 -4.911 -13.387 768 HB3 GLN 101 3HB GLN 101 -6.681 -5.535 -15.037 769 HG2 GLN 101 2HG GLN 101 -5.102 -3.783 -15.686 770 HG3 GLN 101 3HG GLN 101 -5.198 -3.068 -14.078 771 HE21 GLN 101 1HE2 GLN 101 -2.679 -3.631 -14.504 772 HE22 GLN 101 2HE2 GLN 101 -2.183 -5.123 -13.865 773 H GLY 102 H GLY 102 -9.994 -2.641 -14.436 774 HA2 GLY 102 2HA GLY 102 -12.210 -3.374 -14.768 775 HA3 GLY 102 3HA GLY 102 -11.574 -4.853 -15.482 776 H GLY 103 H GLY 103 -13.733 -4.902 -13.723 777 HA2 GLY 103 2HA GLY 103 -14.482 -5.766 -11.659 778 HA3 GLY 103 3HA GLY 103 -13.279 -7.001 -12.021 779 H GLY 104 H GLY 104 -11.306 -6.969 -10.901 780 HA2 GLY 104 2HA GLY 104 -11.345 -5.462 -8.387 781 HA3 GLY 104 3HA GLY 104 -10.143 -6.664 -8.854 782 H THR 105 H THR 105 -9.091 -4.529 -7.712 783 HA THR 105 HA THR 105 -8.024 -2.843 -9.961 784 HB THR 105 HB THR 105 -8.493 -2.084 -7.058 785 HG1 THR 105 HG1 THR 105 -10.284 -1.311 -7.792 786 HG21 THR 105 3HG2 THR 105 -7.186 -0.636 -9.367 787 HG22 THR 105 1HG2 THR 105 -6.496 -0.990 -7.784 788 HG23 THR 105 2HG2 THR 105 -7.789 0.199 -7.936 789 H LEU 106 H LEU 106 -5.846 -2.965 -10.211 790 HA LEU 106 HA LEU 106 -4.301 -4.666 -8.370 791 HB2 LEU 106 2HB LEU 106 -3.927 -4.900 -10.775 792 HB3 LEU 106 3HB LEU 106 -3.540 -3.186 -10.908 793 HG LEU 106 HG LEU 106 -1.554 -3.486 -9.510 794 HD11 LEU 106 1HD1 LEU 106 -2.681 -6.266 -9.188 795 HD12 LEU 106 2HD1 LEU 106 -2.059 -5.170 -7.954 796 HD13 LEU 106 3HD1 LEU 106 -0.944 -5.994 -9.040 797 HD21 LEU 106 3HD2 LEU 106 -1.215 -3.829 -11.866 798 HD22 LEU 106 1HD2 LEU 106 -1.854 -5.470 -11.775 799 HD23 LEU 106 2HD2 LEU 106 -0.306 -5.084 -11.022 800 H LEU 107 H LEU 107 -3.047 -3.873 -6.752 801 HA LEU 107 HA LEU 107 -2.493 -0.920 -6.698 802 HB2 LEU 107 2HB LEU 107 -3.979 -1.818 -4.889 803 HB3 LEU 107 3HB LEU 107 -2.660 -2.861 -4.368 804 HG LEU 107 HG LEU 107 -1.934 0.027 -4.651 805 HD11 LEU 107 1HD1 LEU 107 -4.146 0.317 -3.703 806 HD12 LEU 107 2HD1 LEU 107 -2.950 0.582 -2.436 807 HD13 LEU 107 3HD1 LEU 107 -3.842 -0.937 -2.503 808 HD21 LEU 107 3HD2 LEU 107 -1.533 -2.041 -2.461 809 HD22 LEU 107 1HD2 LEU 107 -0.780 -0.446 -2.512 810 HD23 LEU 107 2HD2 LEU 107 -0.372 -1.654 -3.730 811 H ARG 108 H ARG 108 -0.403 -0.431 -7.007 812 HA ARG 108 HA ARG 108 1.674 -2.533 -6.522 813 HB2 ARG 108 2HB ARG 108 1.653 -0.033 -8.231 814 HB3 ARG 108 3HB ARG 108 3.106 -0.987 -7.930 815 HG2 ARG 108 2HG ARG 108 2.002 -2.977 -8.863 816 HG3 ARG 108 3HG ARG 108 0.539 -2.038 -9.152 817 HD2 ARG 108 2HD ARG 108 1.803 -0.542 -10.658 818 HD3 ARG 108 3HD ARG 108 3.257 -1.502 -10.386 819 HE ARG 108 HE ARG 108 0.939 -2.294 -12.022 820 HH11 ARG 108 1HH2 ARG 108 3.816 -3.189 -10.330 821 HH12 ARG 108 2HH2 ARG 108 4.045 -4.647 -11.236 822 HH21 ARG 108 1HH1 ARG 108 1.225 -4.194 -13.201 823 HH22 ARG 108 2HH1 ARG 108 2.581 -5.215 -12.858 824 H LEU 109 H LEU 109 3.090 -2.232 -4.885 825 HA LEU 109 HA LEU 109 3.129 0.443 -3.509 826 HB2 LEU 109 2HB LEU 109 2.227 -1.657 -2.271 827 HB3 LEU 109 3HB LEU 109 3.906 -2.197 -2.252 828 HG LEU 109 HG LEU 109 4.332 0.286 -1.332 829 HD11 LEU 109 1HD1 LEU 109 2.559 1.272 -0.178 830 HD12 LEU 109 2HD1 LEU 109 1.639 -0.230 -0.084 831 HD13 LEU 109 3HD1 LEU 109 1.746 0.644 -1.610 832 HD21 LEU 109 3HD2 LEU 109 3.228 -1.990 0.345 833 HD22 LEU 109 1HD2 LEU 109 4.138 -0.615 0.971 834 HD23 LEU 109 2HD2 LEU 109 4.914 -1.763 -0.119 835 H THR 110 H THR 110 5.056 1.468 -3.644 836 HA THR 110 HA THR 110 7.538 -0.155 -4.149 837 HB THR 110 HB THR 110 6.832 2.600 -5.211 838 HG1 THR 110 HG1 THR 110 7.250 1.215 -7.208 839 HG21 THR 110 3HG2 THR 110 9.166 2.611 -4.845 840 HG22 THR 110 1HG2 THR 110 8.997 2.146 -6.537 841 HG23 THR 110 2HG2 THR 110 9.336 0.921 -5.315 842 H HIS 111 H HIS 111 9.056 0.130 -2.594 843 HA HIS 111 HA HIS 111 9.050 2.679 -1.015 844 HB2 HIS 111 2HB HIS 111 7.887 0.750 0.198 845 HB3 HIS 111 3HB HIS 111 9.460 -0.049 0.228 846 HD1 HIS 111 HD1 HIS 111 7.479 2.570 1.898 847 HD2 HIS 111 HD2 HIS 111 11.494 1.468 1.703 848 HE1 HIS 111 HE1 HIS 111 8.646 3.780 3.792 849 H SER 112 H SER 112 11.108 3.427 -0.557 850 HA SER 112 HA SER 112 13.429 1.617 -1.110 851 HB2 SER 112 2HB SER 112 14.436 3.101 -2.618 852 HB3 SER 112 3HB SER 112 12.738 3.200 -3.081 853 HG SER 112 HG SER 112 14.145 5.206 -2.543 854 H GLY 113 H GLY 113 15.413 2.383 -0.095 855 HA2 GLY 113 2HA GLY 113 16.531 4.091 1.328 856 HA3 GLY 113 3HA GLY 113 14.978 4.388 2.098 857 H LEU 114 H LEU 114 14.643 3.345 3.996 858 HA LEU 114 HA LEU 114 15.076 1.928 5.818 859 HB2 LEU 114 2HB LEU 114 15.632 -0.218 3.770 860 HB3 LEU 114 3HB LEU 114 14.867 -0.375 5.352 861 HG LEU 114 HG LEU 114 13.708 0.940 2.881 862 HD11 LEU 114 1HD1 LEU 114 13.632 -1.617 3.257 863 HD12 LEU 114 2HD1 LEU 114 12.102 -0.803 2.933 864 HD13 LEU 114 3HD1 LEU 114 12.525 -1.259 4.582 865 HD21 LEU 114 3HD2 LEU 114 11.687 1.249 4.447 866 HD22 LEU 114 1HD2 LEU 114 13.041 2.354 4.678 867 HD23 LEU 114 2HD2 LEU 114 12.820 0.989 5.773 868 HA PRO 115 HA PRO 115 19.677 2.489 5.233 869 HB2 PRO 115 2HB PRO 115 19.297 3.429 8.051 870 HB3 PRO 115 3HB PRO 115 20.222 4.174 6.730 871 HG2 PRO 115 2HG PRO 115 17.894 5.193 7.513 872 HG3 PRO 115 3HG PRO 115 18.346 5.158 5.798 873 HD2 PRO 115 2HD PRO 115 16.435 3.369 7.277 874 HD3 PRO 115 3HD PRO 115 16.308 4.040 5.636 875 H SER 116 H SER 116 17.630 0.881 7.555 876 HA SER 116 HA SER 116 19.923 -0.796 8.515 877 HB2 SER 116 2HB SER 116 18.201 -1.506 10.259 878 HB3 SER 116 3HB SER 116 18.742 0.168 10.348 879 HG SER 116 HG SER 116 16.270 -0.842 9.854 880 H ALA 117 H ALA 117 19.988 -2.911 7.986 881 HA ALA 117 HA ALA 117 18.268 -3.989 5.952 882 HB1 ALA 117 3HB ALA 117 19.579 -5.986 6.169 883 HB2 ALA 117 1HB ALA 117 20.083 -5.549 7.803 884 HB3 ALA 117 2HB ALA 117 20.681 -4.632 6.420 885 H GLU 118 H GLU 118 18.369 -4.307 9.475 886 HA GLU 118 HA GLU 118 16.584 -6.488 9.766 887 HB2 GLU 118 2HB GLU 118 17.892 -5.450 11.622 888 HB3 GLU 118 3HB GLU 118 16.816 -4.055 11.564 889 HG2 GLU 118 2HG GLU 118 14.891 -5.491 12.078 890 HG3 GLU 118 3HG GLU 118 15.943 -6.908 12.097 891 H GLN 119 H GLN 119 15.917 -3.005 9.451 892 HA GLN 119 HA GLN 119 13.072 -3.241 9.748 893 HB2 GLN 119 2HB GLN 119 14.294 -1.097 9.956 894 HB3 GLN 119 3HB GLN 119 14.675 -1.155 8.235 895 HG2 GLN 119 2HG GLN 119 12.324 -1.038 7.654 896 HG3 GLN 119 3HG GLN 119 11.858 -1.168 9.352 897 HE21 GLN 119 1HE2 GLN 119 11.377 0.821 10.275 898 HE22 GLN 119 2HE2 GLN 119 12.066 2.303 9.818 899 H CYS 120 H CYS 120 15.244 -3.482 6.965 900 HA CYS 120 HA CYS 120 13.314 -3.433 4.896 901 HB2 CYS 120 2HB CYS 120 15.999 -3.670 4.949 902 HB3 CYS 120 3HB CYS 120 15.593 -5.357 4.643 903 HG CYS 120 HG CYS 120 15.593 -3.308 2.542 904 H ALA 121 H ALA 121 14.528 -6.199 6.792 905 HA ALA 121 HA ALA 121 12.871 -8.153 5.494 906 HB1 ALA 121 3HB ALA 121 14.127 -8.105 8.253 907 HB2 ALA 121 1HB ALA 121 14.804 -8.835 6.798 908 HB3 ALA 121 2HB ALA 121 13.359 -9.523 7.538 909 H GLY 122 H GLY 122 12.406 -6.090 8.348 910 HA2 GLY 122 2HA GLY 122 9.916 -7.267 9.165 911 HA3 GLY 122 3HA GLY 122 10.478 -5.657 9.614 912 H HIS 123 H HIS 123 10.736 -4.646 6.927 913 HA HIS 123 HA HIS 123 8.044 -3.739 6.488 914 HB2 HIS 123 2HB HIS 123 10.699 -3.450 5.131 915 HB3 HIS 123 3HB HIS 123 9.279 -3.090 4.151 916 HD1 HIS 123 HD1 HIS 123 8.926 -0.644 4.161 917 HD2 HIS 123 HD2 HIS 123 10.107 -2.011 7.918 918 HE1 HIS 123 HE1 HIS 123 8.900 1.370 5.694 919 H GLU 124 H GLU 124 10.090 -6.121 4.800 920 HA GLU 124 HA GLU 124 8.323 -6.746 2.684 921 HB2 GLU 124 2HB GLU 124 10.658 -7.562 2.864 922 HB3 GLU 124 3HB GLU 124 10.174 -8.622 4.188 923 HG2 GLU 124 2HG GLU 124 8.629 -9.808 2.708 924 HG3 GLU 124 3HG GLU 124 9.037 -8.716 1.382 925 H GLU 125 H GLU 125 8.592 -8.307 5.889 926 HA GLU 125 HA GLU 125 6.300 -10.014 5.449 927 HB2 GLU 125 2HB GLU 125 8.172 -10.454 7.082 928 HB3 GLU 125 3HB GLU 125 7.518 -9.167 8.093 929 HG2 GLU 125 2HG GLU 125 6.617 -11.236 8.925 930 HG3 GLU 125 3HG GLU 125 5.309 -10.419 8.067 931 H GLY 126 H GLY 126 6.784 -6.832 6.922 932 HA2 GLY 126 2HA GLY 126 4.205 -6.614 8.139 933 HA3 GLY 126 3HA GLY 126 5.234 -5.254 7.698 934 H TRP 127 H TRP 127 5.369 -5.405 4.963 935 HA TRP 127 HA TRP 127 2.835 -4.353 4.158 936 HB2 TRP 127 2HB TRP 127 5.252 -5.295 2.602 937 HB3 TRP 127 3HB TRP 127 3.824 -4.640 1.802 938 HD1 TRP 127 HD1 TRP 127 7.023 -3.556 3.123 939 HE1 TRP 127 HE1 TRP 127 7.051 -1.018 3.570 940 HE3 TRP 127 HE3 TRP 127 2.021 -2.564 2.888 941 HZ2 TRP 127 HZ2 TRP 127 5.195 1.149 3.797 942 HZ3 TRP 127 HZ3 TRP 127 1.178 -0.260 3.222 943 HH2 TRP 127 HH2 TRP 127 2.758 1.598 3.676 944 H ALA 128 H ALA 128 4.316 -7.554 3.685 945 HA ALA 128 HA ALA 128 2.297 -8.620 1.985 946 HB1 ALA 128 3HB ALA 128 3.806 -10.188 4.085 947 HB2 ALA 128 1HB ALA 128 4.557 -9.650 2.584 948 HB3 ALA 128 2HB ALA 128 3.196 -10.769 2.535 949 H HIS 129 H HIS 129 2.580 -8.589 5.532 950 HA HIS 129 HA HIS 129 0.151 -10.049 6.011 951 HB2 HIS 129 2HB HIS 129 1.993 -9.702 7.682 952 HB3 HIS 129 3HB HIS 129 1.500 -8.014 7.808 953 HD1 HIS 129 HD1 HIS 129 -0.210 -11.425 8.041 954 HD2 HIS 129 HD2 HIS 129 -0.338 -7.659 9.821 955 HE1 HIS 129 HE1 HIS 129 -1.941 -11.563 9.885 956 H TYR 130 H TYR 130 0.903 -6.574 5.945 957 HA TYR 130 HA TYR 130 -1.714 -5.641 6.587 958 HB2 TYR 130 2HB TYR 130 0.708 -4.471 5.244 959 HB3 TYR 130 3HB TYR 130 -0.804 -3.566 5.185 960 HD1 TYR 130 HD1 TYR 130 0.794 -5.704 7.852 961 HD2 TYR 130 HD2 TYR 130 -0.743 -1.839 6.762 962 HE1 TYR 130 HE1 TYR 130 1.170 -4.903 10.162 963 HE2 TYR 130 HE2 TYR 130 -0.363 -1.042 9.076 964 HH TYR 130 HH TYR 130 -0.081 -2.823 11.605 965 H LEU 131 H LEU 131 -0.166 -6.219 3.426 966 HA LEU 131 HA LEU 131 -2.397 -5.386 1.852 967 HB2 LEU 131 2HB LEU 131 -0.145 -7.334 1.307 968 HB3 LEU 131 3HB LEU 131 -1.315 -6.858 0.080 969 HG LEU 131 HG LEU 131 0.330 -4.850 1.651 970 HD11 LEU 131 1HD1 LEU 131 0.921 -6.211 -0.988 971 HD12 LEU 131 2HD1 LEU 131 1.908 -6.235 0.472 972 HD13 LEU 131 3HD1 LEU 131 1.731 -4.741 -0.451 973 HD21 LEU 131 3HD2 LEU 131 -1.437 -3.668 0.647 974 HD22 LEU 131 1HD2 LEU 131 -1.497 -4.735 -0.756 975 HD23 LEU 131 2HD2 LEU 131 -0.194 -3.560 -0.594 976 H GLY 132 H GLY 132 -1.515 -8.559 3.217 977 HA2 GLY 132 2HA GLY 132 -3.590 -10.046 1.949 978 HA3 GLY 132 3HA GLY 132 -2.828 -10.492 3.476 979 H ARG 133 H ARG 133 -3.547 -8.453 5.165 980 HA ARG 133 HA ARG 133 -6.282 -9.078 5.775 981 HB2 ARG 133 2HB ARG 133 -4.429 -6.891 6.755 982 HB3 ARG 133 3HB ARG 133 -6.051 -7.144 7.405 983 HG2 ARG 133 2HG ARG 133 -5.469 -9.425 8.069 984 HG3 ARG 133 3HG ARG 133 -3.873 -9.253 7.336 985 HD2 ARG 133 2HD ARG 133 -3.713 -8.884 9.753 986 HD3 ARG 133 3HD ARG 133 -3.382 -7.384 8.892 987 HE ARG 133 HE ARG 133 -5.430 -6.487 9.716 988 HH11 ARG 133 1HH2 ARG 133 -5.051 -9.854 10.401 989 HH12 ARG 133 2HH2 ARG 133 -6.358 -9.900 11.535 990 HH21 ARG 133 1HH1 ARG 133 -7.138 -6.540 11.191 991 HH22 ARG 133 2HH1 ARG 133 -7.538 -8.030 11.980 992 H LEU 134 H LEU 134 -4.739 -6.285 4.211 993 HA LEU 134 HA LEU 134 -7.085 -4.674 4.000 994 HB2 LEU 134 2HB LEU 134 -4.806 -3.800 3.606 995 HB3 LEU 134 3HB LEU 134 -4.670 -4.803 2.163 996 HG LEU 134 HG LEU 134 -6.558 -3.599 1.134 997 HD11 LEU 134 1HD1 LEU 134 -7.157 -1.365 2.416 998 HD12 LEU 134 2HD1 LEU 134 -6.645 -2.275 3.839 999 HD13 LEU 134 3HD1 LEU 134 -7.975 -2.866 2.842 1000 HD21 LEU 134 3HD2 LEU 134 -5.405 -1.456 0.799 1001 HD22 LEU 134 1HD2 LEU 134 -4.240 -2.778 0.832 1002 HD23 LEU 134 2HD2 LEU 134 -4.433 -1.738 2.243 1003 H THR 135 H THR 135 -5.689 -7.121 1.837 1004 HA THR 135 HA THR 135 -7.531 -6.806 -0.311 1005 HB THR 135 HB THR 135 -6.077 -9.292 0.650 1006 HG1 THR 135 HG1 THR 135 -4.470 -8.595 -0.579 1007 HG21 THR 135 3HG2 THR 135 -7.799 -10.039 -0.803 1008 HG22 THR 135 1HG2 THR 135 -6.366 -9.908 -1.822 1009 HG23 THR 135 2HG2 THR 135 -7.603 -8.652 -1.874 1010 H GLU 136 H GLU 136 -7.645 -8.884 2.578 1011 HA GLU 136 HA GLU 136 -10.084 -10.213 1.940 1012 HB2 GLU 136 2HB GLU 136 -8.827 -9.532 4.615 1013 HB3 GLU 136 3HB GLU 136 -10.212 -10.607 4.425 1014 HG2 GLU 136 2HG GLU 136 -7.534 -11.024 3.065 1015 HG3 GLU 136 3HG GLU 136 -8.024 -11.825 4.557 1016 H VAL 137 H VAL 137 -9.474 -7.184 3.734 1017 HA VAL 137 HA VAL 137 -12.196 -6.728 4.482 1018 HB VAL 137 HB VAL 137 -9.917 -4.787 3.979 1019 HG11 VAL 137 1HG1 VAL 137 -11.358 -3.282 5.480 1020 HG12 VAL 137 2HG1 VAL 137 -12.684 -4.385 5.116 1021 HG13 VAL 137 3HG1 VAL 137 -11.910 -3.486 3.814 1022 HG21 VAL 137 3HG2 VAL 137 -11.101 -5.689 6.612 1023 HG22 VAL 137 1HG2 VAL 137 -9.556 -4.888 6.325 1024 HG23 VAL 137 2HG2 VAL 137 -9.782 -6.566 5.835 1025 H ALA 138 H ALA 138 -10.319 -5.598 1.660 1026 HA ALA 138 HA ALA 138 -12.530 -4.191 0.462 1027 HB1 ALA 138 3HB ALA 138 -11.118 -3.932 -1.439 1028 HB2 ALA 138 1HB ALA 138 -10.181 -5.371 -1.032 1029 HB3 ALA 138 2HB ALA 138 -10.033 -3.915 -0.048 1030 H ALA 139 H ALA 139 -11.258 -7.478 0.127 1031 HA ALA 139 HA ALA 139 -13.430 -8.141 -1.803 1032 HB1 ALA 139 3HB ALA 139 -11.072 -9.803 -0.853 1033 HB2 ALA 139 1HB ALA 139 -11.104 -8.848 -2.336 1034 HB3 ALA 139 2HB ALA 139 -12.186 -10.228 -2.153 1035 H GLY 140 H GLY 140 -13.679 -7.687 1.217 1036 HA2 GLY 140 2HA GLY 140 -15.375 -10.055 1.700 1037 HA3 GLY 140 3HA GLY 140 -14.038 -9.836 2.831 1038 H ARG 141 H ARG 141 -15.024 -9.140 4.676 1039 HA ARG 141 HA ARG 141 -17.386 -7.788 5.072 1040 HB2 ARG 141 2HB ARG 141 -14.781 -7.395 6.562 1041 HB3 ARG 141 3HB ARG 141 -16.349 -6.825 7.140 1042 HG2 ARG 141 2HG ARG 141 -17.216 -9.120 7.126 1043 HG3 ARG 141 3HG ARG 141 -15.683 -9.710 6.481 1044 HD2 ARG 141 2HD ARG 141 -15.742 -10.067 8.901 1045 HD3 ARG 141 3HD ARG 141 -14.527 -8.851 8.508 1046 HE ARG 141 HE ARG 141 -15.894 -7.191 9.539 1047 HH11 ARG 141 1HH2 ARG 141 -17.478 -10.248 9.232 1048 HH12 ARG 141 2HH2 ARG 141 -18.783 -9.820 10.284 1049 HH21 ARG 141 1HH1 ARG 141 -17.593 -6.625 10.911 1050 HH22 ARG 141 2HH1 ARG 141 -18.851 -7.773 11.230 1051 H ASP 142 H ASP 142 -17.763 -5.467 5.691 1052 HA ASP 142 HA ASP 142 -16.121 -3.548 4.066 1053 HB2 ASP 142 2HB ASP 142 -18.209 -4.174 2.856 1054 HB3 ASP 142 3HB ASP 142 -19.149 -3.615 4.241 1055 HA PRO 143 HA PRO 143 -16.589 -2.144 8.507 1056 HB2 PRO 143 2HB PRO 143 -14.045 -0.782 7.716 1057 HB3 PRO 143 3HB PRO 143 -14.413 -1.719 9.178 1058 HG2 PRO 143 2HG PRO 143 -12.873 -2.710 7.226 1059 HG3 PRO 143 3HG PRO 143 -13.982 -3.741 8.149 1060 HD2 PRO 143 2HD PRO 143 -14.272 -2.687 5.357 1061 HD3 PRO 143 3HD PRO 143 -14.811 -4.239 6.040 1062 H GLY 144 H GLY 144 -17.371 -0.123 9.186 1063 HA2 GLY 144 2HA GLY 144 -18.306 2.017 8.947 1064 HA3 GLY 144 3HA GLY 144 -16.873 2.382 7.985 1065 HA PRO 145 HA PRO 145 -20.769 2.331 5.308 1066 HB2 PRO 145 2HB PRO 145 -20.741 4.980 4.587 1067 HB3 PRO 145 3HB PRO 145 -21.574 4.377 6.034 1068 HG2 PRO 145 2HG PRO 145 -18.902 5.696 5.803 1069 HG3 PRO 145 3HG PRO 145 -20.171 5.925 7.020 1070 HD2 PRO 145 2HD PRO 145 -17.956 4.380 7.472 1071 HD3 PRO 145 3HD PRO 145 -19.524 4.054 8.242 1072 H ASP 146 H ASP 146 -20.806 2.565 2.972 1073 HA ASP 146 HA ASP 146 -18.145 3.082 1.691 1074 HB2 ASP 146 2HB ASP 146 -18.637 1.136 0.181 1075 HB3 ASP 146 3HB ASP 146 -18.357 0.669 1.858 1076 HA PRO 147 HA PRO 147 -21.640 5.548 -0.213 1077 HB2 PRO 147 2HB PRO 147 -19.258 7.313 -0.677 1078 HB3 PRO 147 3HB PRO 147 -20.886 7.744 -0.111 1079 HG2 PRO 147 2HG PRO 147 -18.832 7.670 1.574 1080 HG3 PRO 147 3HG PRO 147 -20.439 7.102 2.068 1081 HD2 PRO 147 2HD PRO 147 -18.017 5.486 1.320 1082 HD3 PRO 147 3HD PRO 147 -19.245 5.165 2.565 1083 H PHE 148 H PHE 148 -18.347 4.848 -1.324 1084 HA PHE 148 HA PHE 148 -17.507 4.365 -3.454 1085 HB2 PHE 148 2HB PHE 148 -20.253 3.154 -3.370 1086 HB3 PHE 148 3HB PHE 148 -19.441 3.209 -4.935 1087 HD1 PHE 148 HD2 PHE 148 -17.960 2.784 -1.522 1088 HD2 PHE 148 HD1 PHE 148 -18.767 0.976 -5.336 1089 HE1 PHE 148 HE2 PHE 148 -16.574 0.830 -0.889 1090 HE2 PHE 148 HE1 PHE 148 -17.379 -0.979 -4.699 1091 HZ PHE 148 HZ PHE 148 -16.284 -1.052 -2.476 1092 H TYR 149 H TYR 149 -19.481 6.828 -2.882 1093 HA TYR 149 HA TYR 149 -20.485 7.610 -5.439 1094 HB2 TYR 149 2HB TYR 149 -21.226 8.697 -3.383 1095 HB3 TYR 149 3HB TYR 149 -19.593 9.287 -3.077 1096 HD1 TYR 149 HD2 TYR 149 -22.389 9.422 -5.545 1097 HD2 TYR 149 HD1 TYR 149 -18.844 11.317 -4.032 1098 HE1 TYR 149 HE2 TYR 149 -22.851 11.410 -6.953 1099 HE2 TYR 149 HE1 TYR 149 -19.305 13.305 -5.439 1100 HH TYR 149 HH TYR 149 -20.634 14.204 -6.964 1101 H GLY 150 H GLY 150 -17.373 8.244 -3.809 1102 HA2 GLY 150 2HA GLY 150 -15.269 8.550 -4.908 1103 HA3 GLY 150 3HA GLY 150 -16.116 8.682 -6.450 1104 H ARG 151 H ARG 151 -15.778 10.453 -3.354 1105 HA ARG 151 HA ARG 151 -16.666 12.956 -4.506 1106 HB2 ARG 151 2HB ARG 151 -15.145 12.315 -1.962 1107 HB3 ARG 151 3HB ARG 151 -15.732 13.928 -2.375 1108 HG2 ARG 151 2HG ARG 151 -18.037 13.066 -2.498 1109 HG3 ARG 151 3HG ARG 151 -17.460 11.450 -2.097 1110 HD2 ARG 151 2HD ARG 151 -17.038 13.862 -0.316 1111 HD3 ARG 151 3HD ARG 151 -18.381 12.734 -0.130 1112 HE ARG 151 HE ARG 151 -15.999 11.202 -0.172 1113 HH11 ARG 151 1HH2 ARG 151 -17.577 13.640 1.694 1114 HH12 ARG 151 2HH2 ARG 151 -16.891 13.120 3.196 1115 HH21 ARG 151 1HH1 ARG 151 -15.100 10.508 1.783 1116 HH22 ARG 151 2HH1 ARG 151 -15.489 11.347 3.246 1117 H ARG 152 H ARG 152 -15.448 14.582 -5.437 1118 HA ARG 152 HA ARG 152 -12.469 14.341 -5.406 1119 HB2 ARG 152 2HB ARG 152 -13.312 13.275 -7.492 1120 HB3 ARG 152 3HB ARG 152 -14.120 14.786 -7.913 1121 HG2 ARG 152 2HG ARG 152 -11.960 15.959 -7.926 1122 HG3 ARG 152 3HG ARG 152 -11.137 14.470 -7.459 1123 HD2 ARG 152 2HD ARG 152 -10.935 14.762 -9.868 1124 HD3 ARG 152 3HD ARG 152 -12.007 13.398 -9.546 1125 HE ARG 152 HE ARG 152 -13.588 15.764 -9.768 1126 HH11 ARG 152 1HH2 ARG 152 -11.585 13.640 -11.603 1127 HH12 ARG 152 2HH2 ARG 152 -12.447 13.892 -13.084 1128 HH21 ARG 152 1HH1 ARG 152 -14.727 16.105 -11.690 1129 HH22 ARG 152 2HH1 ARG 152 -14.227 15.287 -13.132 1130 H LEU 153 H LEU 153 -11.492 16.291 -5.154 1131 HA LEU 153 HA LEU 153 -13.206 18.678 -4.887 1132 HB2 LEU 153 2HB LEU 153 -10.331 18.025 -4.253 1133 HB3 LEU 153 3HB LEU 153 -10.903 19.691 -4.216 1134 HG LEU 153 HG LEU 153 -10.989 18.528 -1.987 1135 HD11 LEU 153 1HD1 LEU 153 -12.897 19.640 -1.337 1136 HD12 LEU 153 2HD1 LEU 153 -13.853 19.062 -2.699 1137 HD13 LEU 153 3HD1 LEU 153 -12.694 20.375 -2.925 1138 HD21 LEU 153 3HD2 LEU 153 -11.650 16.305 -3.088 1139 HD22 LEU 153 1HD2 LEU 153 -13.289 16.953 -3.156 1140 HD23 LEU 153 2HD2 LEU 153 -12.494 16.727 -1.599 1141 H GLU 154 H GLU 154 -9.956 19.161 -5.906 1142 HA GLU 154 HA GLU 154 -10.903 20.116 -8.593 1143 HB2 GLU 154 2HB GLU 154 -8.904 21.692 -8.397 1144 HB3 GLU 154 3HB GLU 154 -10.265 22.028 -7.330 1145 HG2 GLU 154 2HG GLU 154 -9.102 20.799 -5.500 1146 HG3 GLU 154 3HG GLU 154 -7.720 20.558 -6.572 1147 H HIS 155 H HIS 155 -10.045 19.049 -10.266 1148 HA HIS 155 HA HIS 155 -7.747 17.230 -9.816 1149 HB2 HIS 155 2HB HIS 155 -8.344 16.283 -11.975 1150 HB3 HIS 155 3HB HIS 155 -9.809 16.453 -11.009 1151 HD1 HIS 155 HD1 HIS 155 -11.380 18.520 -11.596 1152 HD2 HIS 155 HD2 HIS 155 -8.317 17.807 -14.331 1153 HE1 HIS 155 HE1 HIS 155 -11.970 19.821 -13.687 1154 H HIS 156 H HIS 156 -8.472 20.308 -11.213 1155 HA HIS 156 HA HIS 156 -5.678 20.467 -12.284 1156 HB2 HIS 156 2HB HIS 156 -7.380 20.176 -14.127 1157 HB3 HIS 156 3HB HIS 156 -8.103 21.702 -13.616 1158 HD1 HIS 156 HD1 HIS 156 -4.616 20.434 -14.534 1159 HD2 HIS 156 HD2 HIS 156 -6.969 23.854 -14.908 1160 HE1 HIS 156 HE1 HIS 156 -3.243 22.106 -15.851 1161 H HIS 157 H HIS 157 -4.617 22.140 -11.427 1162 HA HIS 157 HA HIS 157 -5.974 24.678 -10.828 1163 HB2 HIS 157 2HB HIS 157 -6.351 23.314 -8.774 1164 HB3 HIS 157 3HB HIS 157 -4.607 23.094 -8.627 1165 HD1 HIS 157 HD1 HIS 157 -7.037 26.030 -8.959 1166 HD2 HIS 157 HD2 HIS 157 -3.460 25.045 -7.059 1167 HE1 HIS 157 HE1 HIS 157 -6.393 28.037 -7.557 1168 H HIS 158 H HIS 158 -3.325 22.833 -11.709 1169 HA HIS 158 HA HIS 158 -1.199 24.615 -10.865 1170 HB2 HIS 158 2HB HIS 158 -0.857 22.194 -11.386 1171 HB3 HIS 158 3HB HIS 158 -1.172 22.551 -13.084 1172 HD1 HIS 158 HD1 HIS 158 0.588 24.045 -14.339 1173 HD2 HIS 158 HD2 HIS 158 1.690 22.996 -10.458 1174 HE1 HIS 158 HE1 HIS 158 3.051 24.589 -14.123 1175 H HIS 159 H HIS 159 -0.275 26.297 -11.960 1176 HA HIS 159 HA HIS 159 -0.242 28.129 -13.431 1177 HB2 HIS 159 2HB HIS 159 0.999 26.470 -14.745 1178 HB3 HIS 159 3HB HIS 159 -0.510 25.842 -15.407 1179 HD1 HIS 159 HD1 HIS 159 1.425 29.128 -15.278 1180 HD2 HIS 159 HD2 HIS 159 -1.338 27.160 -17.704 1181 HE1 HIS 159 HE1 HIS 159 1.124 30.570 -17.337 1182 H HIS 160 H HIS 160 -2.126 29.274 -13.041 1183 HA HIS 160 HA HIS 160 -4.255 28.984 -15.073 1184 HB2 HIS 160 2HB HIS 160 -6.059 28.863 -13.479 1185 HB3 HIS 160 3HB HIS 160 -4.929 27.572 -13.082 1186 HD1 HIS 160 HD1 HIS 160 -3.286 28.045 -11.018 1187 HD2 HIS 160 HD2 HIS 160 -6.425 30.753 -11.448 1188 HE1 HIS 160 HE1 HIS 160 -3.475 29.280 -8.814 Start of MODEL 3 1 H1 MET 1 1H MET 1 16.701 3.448 -24.773 2 H2 MET 1 2H MET 1 15.848 3.944 -26.156 3 H3 MET 1 3H MET 1 15.007 3.484 -24.752 4 HA MET 1 HA MET 1 16.754 5.866 -25.048 5 HB2 MET 1 2HB MET 1 13.755 5.542 -24.683 6 HB3 MET 1 3HB MET 1 14.612 7.084 -24.677 7 HG2 MET 1 2HG MET 1 14.597 5.122 -26.990 8 HG3 MET 1 3HG MET 1 13.604 6.573 -26.900 9 HE1 MET 1 3HE MET 1 15.889 8.842 -25.605 10 HE2 MET 1 1HE MET 1 14.348 8.736 -26.465 11 HE3 MET 1 2HE MET 1 15.739 9.494 -27.234 12 H GLU 2 H GLU 2 17.351 3.902 -23.148 13 HA GLU 2 HA GLU 2 16.011 4.286 -20.644 14 HB2 GLU 2 2HB GLU 2 18.018 3.211 -19.659 15 HB3 GLU 2 3HB GLU 2 17.420 2.325 -21.063 16 HG2 GLU 2 2HG GLU 2 19.106 3.482 -22.480 17 HG3 GLU 2 3HG GLU 2 19.733 4.287 -21.040 18 H LYS 3 H LYS 3 16.421 5.706 -18.969 19 HA LYS 3 HA LYS 3 18.753 7.488 -19.062 20 HB2 LYS 3 2HB LYS 3 17.111 8.602 -20.563 21 HB3 LYS 3 3HB LYS 3 15.944 8.623 -19.241 22 HG2 LYS 3 2HG LYS 3 17.449 10.003 -17.892 23 HG3 LYS 3 3HG LYS 3 18.680 9.929 -19.154 24 HD2 LYS 3 2HD LYS 3 17.130 11.051 -20.722 25 HD3 LYS 3 3HD LYS 3 15.920 11.151 -19.443 26 HE2 LYS 3 2HE LYS 3 18.695 12.355 -19.245 27 HE3 LYS 3 3HE LYS 3 17.259 13.260 -19.728 28 HZ1 LYS 3 3HZ LYS 3 17.137 13.636 -17.524 29 HZ2 LYS 3 1HZ LYS 3 18.027 12.252 -17.111 30 HZ3 LYS 3 2HZ LYS 3 16.378 12.116 -17.504 31 H ALA 4 H ALA 4 19.406 7.178 -17.007 32 HA ALA 4 HA ALA 4 19.386 7.146 -14.672 33 HB1 ALA 4 3HB ALA 4 18.285 9.419 -15.157 34 HB2 ALA 4 1HB ALA 4 18.005 8.715 -13.566 35 HB3 ALA 4 2HB ALA 4 16.754 8.618 -14.803 36 H MET 5 H MET 5 18.843 5.512 -13.315 37 HA MET 5 HA MET 5 16.091 4.508 -13.176 38 HB2 MET 5 2HB MET 5 17.024 3.292 -15.122 39 HB3 MET 5 3HB MET 5 18.346 2.708 -14.115 40 HG2 MET 5 2HG MET 5 15.750 2.161 -12.860 41 HG3 MET 5 3HG MET 5 15.843 1.454 -14.469 42 HE1 MET 5 3HE MET 5 16.580 -1.726 -12.740 43 HE2 MET 5 1HE MET 5 16.316 -1.099 -14.373 44 HE3 MET 5 2HE MET 5 15.302 -0.552 -13.041 45 HA PRO 6 HA PRO 6 18.948 4.100 -9.410 46 HB2 PRO 6 2HB PRO 6 17.830 6.044 -7.852 47 HB3 PRO 6 3HB PRO 6 19.114 6.386 -9.032 48 HG2 PRO 6 2HG PRO 6 16.156 6.744 -9.311 49 HG3 PRO 6 3HG PRO 6 17.469 7.849 -9.766 50 HD2 PRO 6 2HD PRO 6 16.227 6.259 -11.596 51 HD3 PRO 6 3HD PRO 6 17.948 6.693 -11.729 52 H GLU 7 H GLU 7 18.354 3.088 -7.437 53 HA GLU 7 HA GLU 7 15.694 2.931 -6.418 54 HB2 GLU 7 2HB GLU 7 15.310 0.479 -7.000 55 HB3 GLU 7 3HB GLU 7 15.110 1.611 -8.337 56 HG2 GLU 7 2HG GLU 7 17.419 1.131 -9.079 57 HG3 GLU 7 3HG GLU 7 17.595 -0.028 -7.759 58 H SER 8 H SER 8 17.821 3.484 -5.028 59 HA SER 8 HA SER 8 19.335 1.225 -4.044 60 HB2 SER 8 2HB SER 8 18.897 3.867 -2.635 61 HB3 SER 8 3HB SER 8 20.263 2.770 -2.460 62 HG SER 8 HG SER 8 19.560 4.447 -4.616 63 H PHE 9 H PHE 9 18.829 -0.168 -2.426 64 HA PHE 9 HA PHE 9 17.326 -1.357 -1.034 65 HB2 PHE 9 2HB PHE 9 17.662 1.336 0.312 66 HB3 PHE 9 3HB PHE 9 16.954 -0.074 1.102 67 HD1 PHE 9 HD1 PHE 9 18.316 -2.123 1.480 68 HD2 PHE 9 HD2 PHE 9 20.035 1.483 -0.099 69 HE1 PHE 9 HE1 PHE 9 20.586 -2.979 1.995 70 HE2 PHE 9 HE2 PHE 9 22.306 0.627 0.418 71 HZ PHE 9 HZ PHE 9 22.581 -1.604 1.465 72 H VAL 10 H VAL 10 15.573 -1.313 -2.698 73 HA VAL 10 HA VAL 10 13.239 0.331 -1.768 74 HB VAL 10 HB VAL 10 14.057 -0.379 -4.602 75 HG11 VAL 10 1HG1 VAL 10 11.681 -0.664 -4.516 76 HG12 VAL 10 2HG1 VAL 10 11.950 0.952 -5.170 77 HG13 VAL 10 3HG1 VAL 10 11.483 0.751 -3.481 78 HG21 VAL 10 3HG2 VAL 10 13.831 2.171 -4.799 79 HG22 VAL 10 1HG2 VAL 10 15.212 1.578 -3.875 80 HG23 VAL 10 2HG2 VAL 10 13.790 2.199 -3.037 81 H VAL 11 H VAL 11 11.380 -0.789 -1.454 82 HA VAL 11 HA VAL 11 11.410 -3.730 -2.059 83 HB VAL 11 HB VAL 11 10.135 -2.128 0.175 84 HG11 VAL 11 1HG1 VAL 11 9.339 -4.447 0.929 85 HG12 VAL 11 2HG1 VAL 11 9.666 -4.981 -0.720 86 HG13 VAL 11 3HG1 VAL 11 8.463 -3.725 -0.420 87 HG21 VAL 11 3HG2 VAL 11 12.052 -4.478 0.191 88 HG22 VAL 11 1HG2 VAL 11 11.518 -3.550 1.591 89 HG23 VAL 11 2HG2 VAL 11 12.540 -2.793 0.369 90 H ARG 12 H ARG 12 9.811 -4.487 -3.353 91 HA ARG 12 HA ARG 12 7.536 -2.646 -4.039 92 HB2 ARG 12 2HB ARG 12 9.025 -4.653 -5.754 93 HB3 ARG 12 3HB ARG 12 7.535 -3.842 -6.248 94 HG2 ARG 12 2HG ARG 12 8.635 -1.649 -5.937 95 HG3 ARG 12 3HG ARG 12 10.127 -2.468 -5.476 96 HD2 ARG 12 2HD ARG 12 8.725 -2.853 -8.134 97 HD3 ARG 12 3HD ARG 12 10.086 -1.760 -7.882 98 HE ARG 12 HE ARG 12 10.244 -4.649 -8.126 99 HH11 ARG 12 1HH2 ARG 12 11.607 -1.828 -6.670 100 HH12 ARG 12 2HH2 ARG 12 13.187 -2.517 -6.514 101 HH21 ARG 12 1HH1 ARG 12 12.299 -5.552 -7.933 102 HH22 ARG 12 2HH1 ARG 12 13.580 -4.623 -7.229 103 H ARG 13 H ARG 13 5.496 -3.496 -3.885 104 HA ARG 13 HA ARG 13 5.186 -6.430 -3.515 105 HB2 ARG 13 2HB ARG 13 5.039 -4.504 -1.391 106 HB3 ARG 13 3HB ARG 13 3.395 -5.055 -1.687 107 HG2 ARG 13 2HG ARG 13 4.399 -6.527 -0.053 108 HG3 ARG 13 3HG ARG 13 4.215 -7.423 -1.559 109 HD2 ARG 13 2HD ARG 13 6.814 -5.998 -1.249 110 HD3 ARG 13 3HD ARG 13 6.548 -7.345 -0.145 111 HE ARG 13 HE ARG 13 7.030 -7.560 -2.990 112 HH11 ARG 13 1HH2 ARG 13 5.343 -8.897 -0.293 113 HH12 ARG 13 2HH2 ARG 13 5.315 -10.502 -0.942 114 HH21 ARG 13 1HH1 ARG 13 6.997 -9.644 -3.850 115 HH22 ARG 13 2HH1 ARG 13 6.252 -10.926 -2.955 116 H GLU 14 H GLU 14 3.072 -7.191 -4.007 117 HA GLU 14 HA GLU 14 1.209 -5.215 -5.239 118 HB2 GLU 14 2HB GLU 14 2.312 -7.707 -6.561 119 HB3 GLU 14 3HB GLU 14 0.904 -6.824 -7.154 120 HG2 GLU 14 2HG GLU 14 2.252 -4.788 -7.391 121 HG3 GLU 14 3HG GLU 14 3.663 -5.633 -6.751 122 H ALA 15 H ALA 15 -0.964 -5.948 -5.313 123 HA ALA 15 HA ALA 15 -1.659 -8.577 -4.226 124 HB1 ALA 15 3HB ALA 15 -1.247 -7.346 -2.145 125 HB2 ALA 15 1HB ALA 15 -2.976 -7.633 -2.333 126 HB3 ALA 15 2HB ALA 15 -2.301 -6.042 -2.684 127 H HIS 16 H HIS 16 -3.935 -9.022 -4.535 128 HA HIS 16 HA HIS 16 -5.218 -7.173 -6.507 129 HB2 HIS 16 2HB HIS 16 -5.630 -10.114 -5.921 130 HB3 HIS 16 3HB HIS 16 -6.591 -9.188 -7.075 131 HD1 HIS 16 HD1 HIS 16 -5.028 -7.859 -8.943 132 HD2 HIS 16 HD2 HIS 16 -3.350 -11.183 -7.069 133 HE1 HIS 16 HE1 HIS 16 -3.087 -8.594 -10.392 134 H LEU 17 H LEU 17 -6.861 -5.964 -5.784 135 HA LEU 17 HA LEU 17 -8.451 -6.916 -3.423 136 HB2 LEU 17 2HB LEU 17 -7.839 -4.092 -4.360 137 HB3 LEU 17 3HB LEU 17 -8.939 -4.499 -3.044 138 HG LEU 17 HG LEU 17 -6.806 -5.867 -2.152 139 HD11 LEU 17 1HD1 LEU 17 -5.602 -3.640 -3.827 140 HD12 LEU 17 2HD1 LEU 17 -5.353 -5.369 -4.057 141 HD13 LEU 17 3HD1 LEU 17 -4.729 -4.576 -2.615 142 HD21 LEU 17 3HD2 LEU 17 -7.852 -4.138 -0.841 143 HD22 LEU 17 1HD2 LEU 17 -7.252 -2.879 -1.919 144 HD23 LEU 17 2HD2 LEU 17 -6.126 -3.778 -0.901 145 H ALA 18 H ALA 18 -10.578 -7.233 -3.780 146 HA ALA 18 HA ALA 18 -11.630 -6.786 -6.480 147 HB1 ALA 18 3HB ALA 18 -13.420 -8.184 -5.824 148 HB2 ALA 18 1HB ALA 18 -13.168 -7.846 -4.112 149 HB3 ALA 18 2HB ALA 18 -12.015 -8.850 -4.991 150 H ALA 19 H ALA 19 -11.571 -4.405 -6.356 151 HA ALA 19 HA ALA 19 -14.105 -3.275 -5.802 152 HB1 ALA 19 3HB ALA 19 -13.125 -1.700 -3.878 153 HB2 ALA 19 1HB ALA 19 -12.087 -3.096 -3.585 154 HB3 ALA 19 2HB ALA 19 -13.839 -3.262 -3.483 155 HA PRO 20 HA PRO 20 -12.295 -0.227 -8.450 156 HB2 PRO 20 2HB PRO 20 -13.685 2.065 -7.652 157 HB3 PRO 20 3HB PRO 20 -14.321 0.830 -8.753 158 HG2 PRO 20 2HG PRO 20 -14.831 1.206 -5.841 159 HG3 PRO 20 3HG PRO 20 -15.937 0.682 -7.125 160 HD2 PRO 20 2HD PRO 20 -14.827 -1.071 -5.358 161 HD3 PRO 20 3HD PRO 20 -15.212 -1.526 -7.033 162 HA PRO 21 HA PRO 21 -9.052 1.845 -6.251 163 HB2 PRO 21 2HB PRO 21 -8.617 4.079 -7.828 164 HB3 PRO 21 3HB PRO 21 -8.072 2.446 -8.255 165 HG2 PRO 21 2HG PRO 21 -10.457 3.953 -9.220 166 HG3 PRO 21 3HG PRO 21 -9.371 2.869 -10.108 167 HD2 PRO 21 2HD PRO 21 -11.848 2.091 -9.235 168 HD3 PRO 21 3HD PRO 21 -10.491 0.956 -9.408 169 H ALA 22 H ALA 22 -11.971 3.624 -6.965 170 HA ALA 22 HA ALA 22 -11.471 5.974 -5.419 171 HB1 ALA 22 3HB ALA 22 -14.061 4.536 -6.063 172 HB2 ALA 22 1HB ALA 22 -13.336 5.859 -6.977 173 HB3 ALA 22 2HB ALA 22 -13.967 6.148 -5.356 174 H ALA 23 H ALA 23 -13.057 2.893 -4.544 175 HA ALA 23 HA ALA 23 -13.532 3.636 -1.803 176 HB1 ALA 23 3HB ALA 23 -13.214 0.861 -2.981 177 HB2 ALA 23 1HB ALA 23 -14.714 1.786 -2.998 178 HB3 ALA 23 2HB ALA 23 -14.014 1.270 -1.462 179 H VAL 24 H VAL 24 -10.904 1.925 -3.455 180 HA VAL 24 HA VAL 24 -9.441 1.174 -1.109 181 HB VAL 24 HB VAL 24 -8.507 1.757 -3.934 182 HG11 VAL 24 1HG1 VAL 24 -6.574 1.905 -2.550 183 HG12 VAL 24 2HG1 VAL 24 -6.561 0.266 -3.199 184 HG13 VAL 24 3HG1 VAL 24 -7.098 0.555 -1.544 185 HG21 VAL 24 3HG2 VAL 24 -10.155 -0.098 -3.674 186 HG22 VAL 24 1HG2 VAL 24 -9.068 -0.867 -2.518 187 HG23 VAL 24 2HG2 VAL 24 -8.572 -0.670 -4.198 188 H PHE 25 H PHE 25 -9.231 4.014 -3.244 189 HA PHE 25 HA PHE 25 -7.034 5.268 -1.949 190 HB2 PHE 25 2HB PHE 25 -7.919 5.980 -4.147 191 HB3 PHE 25 3HB PHE 25 -9.383 6.572 -3.359 192 HD1 PHE 25 HD1 PHE 25 -5.666 6.925 -3.338 193 HD2 PHE 25 HD2 PHE 25 -9.449 8.746 -2.436 194 HE1 PHE 25 HE1 PHE 25 -4.512 9.051 -2.799 195 HE2 PHE 25 HE2 PHE 25 -8.297 10.875 -1.898 196 HZ PHE 25 HZ PHE 25 -5.827 11.027 -2.078 197 H ALA 26 H ALA 26 -10.547 5.593 -1.361 198 HA ALA 26 HA ALA 26 -10.406 7.603 0.630 199 HB1 ALA 26 3HB ALA 26 -12.586 6.800 1.366 200 HB2 ALA 26 1HB ALA 26 -12.327 5.257 0.551 201 HB3 ALA 26 2HB ALA 26 -12.517 6.732 -0.396 202 H LEU 27 H LEU 27 -10.239 4.058 0.954 203 HA LEU 27 HA LEU 27 -9.978 4.009 3.799 204 HB2 LEU 27 2HB LEU 27 -9.042 2.082 1.658 205 HB3 LEU 27 3HB LEU 27 -8.969 1.728 3.383 206 HG LEU 27 HG LEU 27 -11.519 2.508 1.938 207 HD11 LEU 27 1HD1 LEU 27 -10.636 -0.276 2.744 208 HD12 LEU 27 2HD1 LEU 27 -10.515 0.356 1.103 209 HD13 LEU 27 3HD1 LEU 27 -12.096 0.164 1.860 210 HD21 LEU 27 3HD2 LEU 27 -11.946 2.886 4.205 211 HD22 LEU 27 1HD2 LEU 27 -10.838 1.623 4.740 212 HD23 LEU 27 2HD2 LEU 27 -12.410 1.196 4.065 213 H MET 28 H MET 28 -7.590 4.288 1.199 214 HA MET 28 HA MET 28 -5.326 4.157 3.028 215 HB2 MET 28 2HB MET 28 -5.572 5.049 0.145 216 HB3 MET 28 3HB MET 28 -4.045 4.896 1.010 217 HG2 MET 28 2HG MET 28 -6.035 2.633 0.691 218 HG3 MET 28 3HG MET 28 -4.644 2.868 -0.363 219 HE1 MET 28 3HE MET 28 -2.119 1.617 0.421 220 HE2 MET 28 1HE MET 28 -1.633 2.661 1.762 221 HE3 MET 28 2HE MET 28 -2.473 3.341 0.371 222 H THR 29 H THR 29 -7.612 6.534 2.325 223 HA THR 29 HA THR 29 -5.741 8.710 3.222 224 HB THR 29 HB THR 29 -8.253 9.028 1.558 225 HG1 THR 29 HG1 THR 29 -6.119 8.011 0.726 226 HG21 THR 29 3HG2 THR 29 -6.058 10.909 2.459 227 HG22 THR 29 1HG2 THR 29 -7.778 11.013 2.833 228 HG23 THR 29 2HG2 THR 29 -7.213 11.310 1.190 229 H ASP 30 H ASP 30 -6.340 7.865 5.380 230 HA ASP 30 HA ASP 30 -8.073 9.534 6.733 231 HB2 ASP 30 2HB ASP 30 -9.924 7.695 7.266 232 HB3 ASP 30 3HB ASP 30 -10.089 8.755 5.870 233 HA PRO 31 HA PRO 31 -5.538 7.072 9.593 234 HB2 PRO 31 2HB PRO 31 -5.877 8.615 11.836 235 HB3 PRO 31 3HB PRO 31 -4.790 9.066 10.507 236 HG2 PRO 31 2HG PRO 31 -7.542 10.044 11.112 237 HG3 PRO 31 3HG PRO 31 -6.131 10.941 10.523 238 HD2 PRO 31 2HD PRO 31 -8.189 10.115 8.901 239 HD3 PRO 31 3HD PRO 31 -6.529 10.369 8.312 240 H GLU 32 H GLU 32 -8.890 7.737 9.822 241 HA GLU 32 HA GLU 32 -9.351 6.107 12.222 242 HB2 GLU 32 2HB GLU 32 -10.757 8.088 11.658 243 HB3 GLU 32 3HB GLU 32 -11.328 7.239 10.221 244 HG2 GLU 32 2HG GLU 32 -12.258 5.449 11.607 245 HG3 GLU 32 3HG GLU 32 -11.633 6.224 13.061 246 H LYS 33 H LYS 33 -10.232 5.845 8.757 247 HA LYS 33 HA LYS 33 -11.325 3.204 8.963 248 HB2 LYS 33 2HB LYS 33 -10.062 4.524 6.549 249 HB3 LYS 33 3HB LYS 33 -11.182 3.167 6.526 250 HG2 LYS 33 2HG LYS 33 -11.822 5.945 7.564 251 HG3 LYS 33 3HG LYS 33 -12.333 5.293 6.009 252 HD2 LYS 33 2HD LYS 33 -13.393 3.373 7.401 253 HD3 LYS 33 3HD LYS 33 -13.210 4.468 8.771 254 HE2 LYS 33 2HE LYS 33 -14.535 6.175 7.645 255 HE3 LYS 33 3HE LYS 33 -14.664 5.161 6.209 256 HZ1 LYS 33 3HZ LYS 33 -16.613 5.062 7.732 257 HZ2 LYS 33 1HZ LYS 33 -15.614 4.330 8.891 258 HZ3 LYS 33 2HZ LYS 33 -15.900 3.554 7.407 259 H ILE 34 H ILE 34 -8.072 4.368 8.167 260 HA ILE 34 HA ILE 34 -6.890 1.980 7.330 261 HB ILE 34 HB ILE 34 -5.818 4.275 8.980 262 HG12 ILE 34 2HG1 ILE 34 -5.175 3.425 6.144 263 HG13 ILE 34 3HG1 ILE 34 -6.482 4.545 6.534 264 HG21 ILE 34 1HG2 ILE 34 -4.402 1.786 8.023 265 HG22 ILE 34 2HG2 ILE 34 -4.362 2.524 9.624 266 HG23 ILE 34 3HG2 ILE 34 -3.530 3.299 8.276 267 HD11 ILE 34 3HD1 ILE 34 -4.321 5.691 5.948 268 HD12 ILE 34 1HD1 ILE 34 -3.595 4.950 7.375 269 HD13 ILE 34 2HD1 ILE 34 -4.919 6.100 7.555 270 H LEU 35 H LEU 35 -7.923 2.904 10.540 271 HA LEU 35 HA LEU 35 -6.418 1.022 12.063 272 HB2 LEU 35 2HB LEU 35 -9.220 2.073 12.565 273 HB3 LEU 35 3HB LEU 35 -8.170 1.326 13.769 274 HG LEU 35 HG LEU 35 -7.541 3.862 12.233 275 HD11 LEU 35 1HD1 LEU 35 -9.397 3.947 13.993 276 HD12 LEU 35 2HD1 LEU 35 -8.053 5.066 14.225 277 HD13 LEU 35 3HD1 LEU 35 -8.144 3.587 15.183 278 HD21 LEU 35 3HD2 LEU 35 -5.436 2.990 12.770 279 HD22 LEU 35 1HD2 LEU 35 -6.017 2.207 14.238 280 HD23 LEU 35 2HD2 LEU 35 -5.777 3.953 14.201 281 H ARG 36 H ARG 36 -9.114 0.607 9.924 282 HA ARG 36 HA ARG 36 -10.206 -1.801 10.992 283 HB2 ARG 36 2HB ARG 36 -10.086 -0.709 8.174 284 HB3 ARG 36 3HB ARG 36 -10.947 -2.191 8.587 285 HG2 ARG 36 2HG ARG 36 -12.333 -0.944 10.201 286 HG3 ARG 36 3HG ARG 36 -11.464 0.540 9.805 287 HD2 ARG 36 2HD ARG 36 -12.226 0.393 7.476 288 HD3 ARG 36 3HD ARG 36 -13.056 -1.124 7.826 289 HE ARG 36 HE ARG 36 -13.920 1.053 9.558 290 HH11 ARG 36 1HH2 ARG 36 -14.255 -0.488 6.485 291 HH12 ARG 36 2HH2 ARG 36 -15.880 0.064 6.243 292 HH21 ARG 36 1HH1 ARG 36 -16.035 1.773 9.253 293 HH22 ARG 36 2HH1 ARG 36 -16.886 1.341 7.808 294 H TRP 37 H TRP 37 -7.552 -1.275 8.648 295 HA TRP 37 HA TRP 37 -6.982 -4.219 8.744 296 HB2 TRP 37 2HB TRP 37 -5.757 -3.920 6.684 297 HB3 TRP 37 3HB TRP 37 -7.341 -3.176 6.499 298 HD1 TRP 37 HD1 TRP 37 -7.338 -0.406 7.074 299 HE1 TRP 37 HE1 TRP 37 -5.608 1.333 6.280 300 HE3 TRP 37 HE3 TRP 37 -3.403 -3.486 6.012 301 HZ2 TRP 37 HZ2 TRP 37 -2.923 1.415 5.319 302 HZ3 TRP 37 HZ3 TRP 37 -1.273 -2.547 5.154 303 HH2 TRP 37 HH2 TRP 37 -1.027 -0.105 4.811 304 H MET 38 H MET 38 -6.156 -1.893 10.682 305 HA MET 38 HA MET 38 -3.317 -2.803 10.864 306 HB2 MET 38 2HB MET 38 -4.185 0.102 11.015 307 HB3 MET 38 3HB MET 38 -2.551 -0.505 11.275 308 HG2 MET 38 2HG MET 38 -4.127 -0.747 8.699 309 HG3 MET 38 3HG MET 38 -2.809 0.382 8.991 310 HE1 MET 38 3HE MET 38 0.319 -1.445 9.151 311 HE2 MET 38 1HE MET 38 -0.567 -1.691 10.661 312 HE3 MET 38 2HE MET 38 -0.688 -0.157 9.804 313 H GLY 39 H GLY 39 -2.564 -1.165 12.961 314 HA2 GLY 39 2HA GLY 39 -3.642 -2.572 15.199 315 HA3 GLY 39 3HA GLY 39 -2.580 -1.171 15.290 316 H THR 40 H THR 40 -4.380 -1.221 17.202 317 HA THR 40 HA THR 40 -6.849 0.183 16.407 318 HB THR 40 HB THR 40 -7.464 -0.024 18.739 319 HG1 THR 40 HG1 THR 40 -5.697 -1.127 20.050 320 HG21 THR 40 3HG2 THR 40 -7.325 -2.429 19.028 321 HG22 THR 40 1HG2 THR 40 -5.933 -2.514 17.948 322 HG23 THR 40 2HG2 THR 40 -7.520 -2.086 17.309 323 H GLU 41 H GLU 41 -3.710 1.096 16.803 324 HA GLU 41 HA GLU 41 -4.505 3.880 17.512 325 HB2 GLU 41 2HB GLU 41 -2.235 2.295 18.754 326 HB3 GLU 41 3HB GLU 41 -2.383 4.050 18.874 327 HG2 GLU 41 2HG GLU 41 -4.560 3.828 19.958 328 HG3 GLU 41 3HG GLU 41 -4.498 2.075 19.777 329 H ALA 42 H ALA 42 -3.632 5.311 16.105 330 HA ALA 42 HA ALA 42 -1.056 4.786 14.819 331 HB1 ALA 42 3HB ALA 42 -2.706 3.493 13.423 332 HB2 ALA 42 1HB ALA 42 -1.879 4.776 12.539 333 HB3 ALA 42 2HB ALA 42 -3.537 5.013 13.092 334 H GLU 43 H GLU 43 -0.253 6.651 13.741 335 HA GLU 43 HA GLU 43 -1.860 9.151 14.082 336 HB2 GLU 43 2HB GLU 43 0.243 10.296 14.780 337 HB3 GLU 43 3HB GLU 43 -0.280 9.077 15.938 338 HG2 GLU 43 2HG GLU 43 1.789 8.563 13.778 339 HG3 GLU 43 3HG GLU 43 2.190 9.027 15.430 340 H VAL 44 H VAL 44 -1.454 10.731 12.496 341 HA VAL 44 HA VAL 44 0.294 9.864 10.214 342 HB VAL 44 HB VAL 44 -1.399 11.003 8.732 343 HG11 VAL 44 1HG1 VAL 44 -3.016 9.105 8.851 344 HG12 VAL 44 2HG1 VAL 44 -2.305 8.634 10.394 345 HG13 VAL 44 3HG1 VAL 44 -1.337 8.572 8.921 346 HG21 VAL 44 3HG2 VAL 44 -3.707 11.215 9.730 347 HG22 VAL 44 1HG2 VAL 44 -2.549 12.391 10.352 348 HG23 VAL 44 2HG2 VAL 44 -2.985 10.983 11.321 349 H GLU 45 H GLU 45 1.699 11.362 9.539 350 HA GLU 45 HA GLU 45 1.266 14.203 9.704 351 HB2 GLU 45 2HB GLU 45 1.709 13.640 12.133 352 HB3 GLU 45 3HB GLU 45 3.317 13.106 11.643 353 HG2 GLU 45 2HG GLU 45 3.562 15.430 10.542 354 HG3 GLU 45 3HG GLU 45 2.143 15.887 11.481 355 HA PRO 46 HA PRO 46 4.293 12.570 6.559 356 HB2 PRO 46 2HB PRO 46 3.456 15.196 5.367 357 HB3 PRO 46 3HB PRO 46 3.620 13.608 4.589 358 HG2 PRO 46 2HG PRO 46 1.224 14.631 5.174 359 HG3 PRO 46 3HG PRO 46 1.547 12.894 5.312 360 HD2 PRO 46 2HD PRO 46 1.270 14.936 7.481 361 HD3 PRO 46 3HD PRO 46 0.846 13.208 7.499 362 H GLU 47 H GLU 47 3.934 15.781 7.993 363 HA GLU 47 HA GLU 47 6.691 16.540 7.408 364 HB2 GLU 47 2HB GLU 47 4.385 17.781 8.898 365 HB3 GLU 47 3HB GLU 47 6.000 18.467 9.055 366 HG2 GLU 47 2HG GLU 47 4.770 17.904 6.351 367 HG3 GLU 47 3HG GLU 47 4.505 19.432 7.193 368 HA PRO 48 HA PRO 48 8.588 14.810 11.027 369 HB2 PRO 48 2HB PRO 48 10.586 16.624 11.512 370 HB3 PRO 48 3HB PRO 48 10.614 15.498 10.139 371 HG2 PRO 48 2HG PRO 48 9.773 18.369 10.200 372 HG3 PRO 48 3HG PRO 48 10.810 17.528 9.031 373 HD2 PRO 48 2HD PRO 48 8.207 18.016 8.497 374 HD3 PRO 48 3HD PRO 48 9.002 16.528 7.939 375 H GLY 49 H GLY 49 8.511 14.923 13.273 376 HA2 GLY 49 2HA GLY 49 8.513 16.912 15.093 377 HA3 GLY 49 3HA GLY 49 6.886 17.100 14.429 378 H GLY 50 H GLY 50 6.636 14.205 13.897 379 HA2 GLY 50 2HA GLY 50 5.726 12.343 14.987 380 HA3 GLY 50 3HA GLY 50 7.016 12.583 16.164 381 H LEU 51 H LEU 51 3.648 13.180 15.451 382 HA LEU 51 HA LEU 51 3.164 14.817 17.802 383 HB2 LEU 51 2HB LEU 51 1.247 13.262 16.037 384 HB3 LEU 51 3HB LEU 51 0.772 14.454 17.246 385 HG LEU 51 HG LEU 51 2.560 15.015 14.862 386 HD11 LEU 51 1HD1 LEU 51 -0.277 15.963 15.307 387 HD12 LEU 51 2HD1 LEU 51 0.104 14.507 14.387 388 HD13 LEU 51 3HD1 LEU 51 0.686 16.078 13.834 389 HD21 LEU 51 3HD2 LEU 51 3.169 16.649 16.419 390 HD22 LEU 51 1HD2 LEU 51 1.579 16.665 17.182 391 HD23 LEU 51 2HD2 LEU 51 1.820 17.447 15.620 392 H TYR 52 H TYR 52 2.237 14.188 19.750 393 HA TYR 52 HA TYR 52 2.780 11.432 20.576 394 HB2 TYR 52 2HB TYR 52 3.290 13.301 22.080 395 HB3 TYR 52 3HB TYR 52 1.604 13.815 22.043 396 HD1 TYR 52 HD1 TYR 52 3.785 10.907 22.918 397 HD2 TYR 52 HD2 TYR 52 0.062 12.938 23.595 398 HE1 TYR 52 HE1 TYR 52 3.282 9.362 24.792 399 HE2 TYR 52 HE2 TYR 52 -0.443 11.393 25.467 400 HH TYR 52 HH TYR 52 1.929 9.231 26.752 401 H LEU 53 H LEU 53 0.156 13.111 19.225 402 HA LEU 53 HA LEU 53 -1.992 11.689 20.566 403 HB2 LEU 53 2HB LEU 53 -1.976 13.170 17.917 404 HB3 LEU 53 3HB LEU 53 -3.415 12.662 18.799 405 HG LEU 53 HG LEU 53 -1.309 14.574 19.859 406 HD11 LEU 53 1HD1 LEU 53 -2.873 16.338 19.436 407 HD12 LEU 53 2HD1 LEU 53 -4.155 15.196 19.033 408 HD13 LEU 53 3HD1 LEU 53 -2.781 15.400 17.946 409 HD21 LEU 53 3HD2 LEU 53 -3.856 13.411 20.993 410 HD22 LEU 53 1HD2 LEU 53 -3.303 15.003 21.514 411 HD23 LEU 53 2HD2 LEU 53 -2.283 13.594 21.769 412 H VAL 54 H VAL 54 -3.229 9.955 19.756 413 HA VAL 54 HA VAL 54 -2.146 8.519 17.362 414 HB VAL 54 HB VAL 54 -2.408 6.375 18.593 415 HG11 VAL 54 1HG1 VAL 54 -0.420 6.670 20.067 416 HG12 VAL 54 2HG1 VAL 54 -0.574 8.417 19.879 417 HG13 VAL 54 3HG1 VAL 54 -0.201 7.410 18.480 418 HG21 VAL 54 3HG2 VAL 54 -4.040 7.006 20.263 419 HG22 VAL 54 1HG2 VAL 54 -2.966 8.244 20.915 420 HG23 VAL 54 2HG2 VAL 54 -2.564 6.537 21.108 421 H ASN 55 H ASN 55 -3.728 6.933 16.502 422 HA ASN 55 HA ASN 55 -5.875 6.461 15.690 423 HB2 ASN 55 2HB ASN 55 -6.144 5.506 17.933 424 HB3 ASN 55 3HB ASN 55 -6.576 7.084 18.579 425 HD21 ASN 55 1HD2 ASN 55 -8.151 4.433 18.219 426 HD22 ASN 55 2HD2 ASN 55 -9.592 4.928 17.470 427 H VAL 56 H VAL 56 -6.808 8.941 18.062 428 HA VAL 56 HA VAL 56 -7.910 10.974 17.792 429 HB VAL 56 HB VAL 56 -6.594 11.116 15.074 430 HG11 VAL 56 1HG1 VAL 56 -7.252 13.220 17.161 431 HG12 VAL 56 2HG1 VAL 56 -8.228 12.889 15.732 432 HG13 VAL 56 3HG1 VAL 56 -6.592 13.518 15.553 433 HG21 VAL 56 3HG2 VAL 56 -4.716 12.237 16.422 434 HG22 VAL 56 1HG2 VAL 56 -4.817 10.480 16.540 435 HG23 VAL 56 2HG2 VAL 56 -5.438 11.489 17.847 436 H THR 57 H THR 57 -9.975 11.387 17.306 437 HA THR 57 HA THR 57 -11.263 9.882 15.071 438 HB THR 57 HB THR 57 -13.347 10.277 16.259 439 HG1 THR 57 HG1 THR 57 -12.237 11.480 18.437 440 HG21 THR 57 3HG2 THR 57 -11.964 8.418 17.089 441 HG22 THR 57 1HG2 THR 57 -12.834 9.179 18.421 442 HG23 THR 57 2HG2 THR 57 -11.122 9.521 18.179 443 H GLY 58 H GLY 58 -10.008 12.914 15.773 444 HA2 GLY 58 2HA GLY 58 -12.009 14.464 14.254 445 HA3 GLY 58 3HA GLY 58 -10.548 15.108 15.003 446 H ALA 59 H ALA 59 -9.229 12.608 13.622 447 HA ALA 59 HA ALA 59 -7.793 12.441 11.765 448 HB1 ALA 59 3HB ALA 59 -8.971 12.253 9.680 449 HB2 ALA 59 1HB ALA 59 -10.296 13.256 10.274 450 HB3 ALA 59 2HB ALA 59 -10.043 11.642 10.940 451 H ARG 60 H ARG 60 -8.179 13.867 9.231 452 HA ARG 60 HA ARG 60 -7.082 15.708 8.243 453 HB2 ARG 60 2HB ARG 60 -9.042 16.985 10.163 454 HB3 ARG 60 3HB ARG 60 -8.148 17.894 8.947 455 HG2 ARG 60 2HG ARG 60 -9.125 16.499 7.168 456 HG3 ARG 60 3HG ARG 60 -10.009 15.566 8.378 457 HD2 ARG 60 2HD ARG 60 -11.192 17.613 9.095 458 HD3 ARG 60 3HD ARG 60 -10.316 18.544 7.878 459 HE ARG 60 HE ARG 60 -11.750 16.284 6.732 460 HH11 ARG 60 1HH2 ARG 60 -11.921 19.549 7.840 461 HH12 ARG 60 2HH2 ARG 60 -13.295 19.946 6.864 462 HH21 ARG 60 1HH1 ARG 60 -13.545 16.789 5.457 463 HH22 ARG 60 2HH1 ARG 60 -14.214 18.386 5.516 464 H PHE 61 H PHE 61 -7.567 17.449 11.245 465 HA PHE 61 HA PHE 61 -6.058 18.426 12.734 466 HB2 PHE 61 2HB PHE 61 -5.479 15.982 13.105 467 HB3 PHE 61 3HB PHE 61 -4.163 16.196 11.953 468 HD1 PHE 61 HD1 PHE 61 -5.503 17.292 15.226 469 HD2 PHE 61 HD2 PHE 61 -2.170 17.411 12.519 470 HE1 PHE 61 HE1 PHE 61 -4.086 18.265 17.013 471 HE2 PHE 61 HE2 PHE 61 -0.752 18.386 14.307 472 HZ PHE 61 HZ PHE 61 -1.712 18.812 16.554 473 H ALA 62 H ALA 62 -3.805 17.090 10.291 474 HA ALA 62 HA ALA 62 -2.647 19.823 10.012 475 HB1 ALA 62 3HB ALA 62 -0.799 18.576 8.841 476 HB2 ALA 62 1HB ALA 62 -1.633 17.076 9.248 477 HB3 ALA 62 2HB ALA 62 -1.028 18.126 10.531 478 H ARG 63 H ARG 63 -2.436 20.810 7.995 479 HA ARG 63 HA ARG 63 -3.635 19.477 5.622 480 HB2 ARG 63 2HB ARG 63 -5.454 20.766 6.727 481 HB3 ARG 63 3HB ARG 63 -4.466 22.223 6.610 482 HG2 ARG 63 2HG ARG 63 -4.433 22.024 4.155 483 HG3 ARG 63 3HG ARG 63 -5.389 20.546 4.254 484 HD2 ARG 63 2HD ARG 63 -6.319 23.212 5.351 485 HD3 ARG 63 3HD ARG 63 -6.727 22.629 3.738 486 HE ARG 63 HE ARG 63 -7.409 20.601 5.616 487 HH11 ARG 63 1HH2 ARG 63 -8.283 23.795 4.635 488 HH12 ARG 63 2HH2 ARG 63 -9.939 23.627 5.110 489 HH21 ARG 63 1HH1 ARG 63 -9.566 20.369 6.234 490 HH22 ARG 63 2HH1 ARG 63 -10.666 21.689 6.015 491 H GLY 64 H GLY 64 -2.842 20.324 3.645 492 HA2 GLY 64 2HA GLY 64 -1.482 21.680 2.251 493 HA3 GLY 64 3HA GLY 64 -1.040 22.641 3.662 494 H SER 65 H SER 65 -0.694 19.439 4.478 495 HA SER 65 HA SER 65 2.248 19.615 4.199 496 HB2 SER 65 2HB SER 65 0.637 17.409 5.495 497 HB3 SER 65 3HB SER 65 2.328 17.816 5.770 498 HG SER 65 HG SER 65 1.547 19.000 7.321 499 H PHE 66 H PHE 66 2.194 16.565 4.323 500 HA PHE 66 HA PHE 66 2.515 14.809 2.829 501 HB2 PHE 66 2HB PHE 66 0.190 16.189 1.453 502 HB3 PHE 66 3HB PHE 66 0.810 14.602 1.007 503 HD1 PHE 66 HD2 PHE 66 0.585 12.685 2.521 504 HD2 PHE 66 HD1 PHE 66 -1.024 16.533 3.532 505 HE1 PHE 66 HE2 PHE 66 -0.763 11.643 4.320 506 HE2 PHE 66 HE1 PHE 66 -2.375 15.493 5.332 507 HZ PHE 66 HZ PHE 66 -2.245 13.049 5.727 508 H ARG 67 H ARG 67 3.519 14.277 0.835 509 HA ARG 67 HA ARG 67 4.998 16.523 -0.364 510 HB2 ARG 67 2HB ARG 67 6.000 14.254 0.270 511 HB3 ARG 67 3HB ARG 67 5.141 13.596 -1.122 512 HG2 ARG 67 2HG ARG 67 6.295 15.192 -2.600 513 HG3 ARG 67 3HG ARG 67 7.146 15.869 -1.215 514 HD2 ARG 67 2HD ARG 67 8.110 13.600 -0.768 515 HD3 ARG 67 3HD ARG 67 7.364 13.031 -2.260 516 HE ARG 67 HE ARG 67 9.686 14.839 -2.057 517 HH11 ARG 67 1HH2 ARG 67 7.164 13.450 -3.973 518 HH12 ARG 67 2HH2 ARG 67 7.961 13.766 -5.477 519 HH21 ARG 67 1HH1 ARG 67 10.723 15.259 -4.012 520 HH22 ARG 67 2HH1 ARG 67 9.971 14.790 -5.500 521 H GLU 68 H GLU 68 3.100 13.771 -1.661 522 HA GLU 68 HA GLU 68 1.909 15.595 -3.677 523 HB2 GLU 68 2HB GLU 68 3.600 13.168 -4.305 524 HB3 GLU 68 3HB GLU 68 2.411 13.797 -5.445 525 HG2 GLU 68 2HG GLU 68 3.515 15.982 -5.434 526 HG3 GLU 68 3HG GLU 68 4.674 15.410 -4.239 527 H VAL 69 H VAL 69 -0.197 15.127 -3.976 528 HA VAL 69 HA VAL 69 -1.188 12.404 -3.197 529 HB VAL 69 HB VAL 69 -2.390 15.114 -2.560 530 HG11 VAL 69 1HG1 VAL 69 -4.193 13.601 -1.459 531 HG12 VAL 69 2HG1 VAL 69 -3.597 12.345 -2.546 532 HG13 VAL 69 3HG1 VAL 69 -4.271 13.835 -3.204 533 HG21 VAL 69 3HG2 VAL 69 -2.324 14.140 -0.235 534 HG22 VAL 69 1HG2 VAL 69 -0.732 14.391 -0.949 535 HG23 VAL 69 2HG2 VAL 69 -1.427 12.771 -0.893 536 H VAL 70 H VAL 70 -2.426 11.465 -4.729 537 HA VAL 70 HA VAL 70 -3.844 13.146 -6.717 538 HB VAL 70 HB VAL 70 -2.199 10.818 -7.704 539 HG11 VAL 70 1HG1 VAL 70 -2.563 11.800 -9.832 540 HG12 VAL 70 2HG1 VAL 70 -2.982 13.366 -9.136 541 HG13 VAL 70 3HG1 VAL 70 -4.107 12.015 -9.004 542 HG21 VAL 70 3HG2 VAL 70 -1.317 13.707 -7.402 543 HG22 VAL 70 1HG2 VAL 70 -0.460 12.493 -8.352 544 HG23 VAL 70 2HG2 VAL 70 -0.602 12.306 -6.603 545 HA PRO 71 HA PRO 71 -6.546 9.818 -4.992 546 HB2 PRO 71 2HB PRO 71 -8.465 11.380 -6.692 547 HB3 PRO 71 3HB PRO 71 -8.668 10.765 -5.038 548 HG2 PRO 71 2HG PRO 71 -8.186 13.331 -5.463 549 HG3 PRO 71 3HG PRO 71 -7.411 12.478 -4.114 550 HD2 PRO 71 2HD PRO 71 -6.221 13.322 -6.734 551 HD3 PRO 71 3HD PRO 71 -5.484 13.281 -5.116 552 H VAL 72 H VAL 72 -7.551 8.006 -5.911 553 HA VAL 72 HA VAL 72 -7.423 6.227 -7.457 554 HB VAL 72 HB VAL 72 -8.954 6.655 -9.370 555 HG11 VAL 72 1HG1 VAL 72 -10.905 7.392 -7.903 556 HG12 VAL 72 2HG1 VAL 72 -9.725 7.644 -6.617 557 HG13 VAL 72 3HG1 VAL 72 -9.963 6.032 -7.291 558 HG21 VAL 72 3HG2 VAL 72 -9.151 9.477 -8.277 559 HG22 VAL 72 1HG2 VAL 72 -9.921 8.829 -9.722 560 HG23 VAL 72 2HG2 VAL 72 -8.176 9.065 -9.689 561 H HIS 73 H HIS 73 -4.987 7.562 -7.552 562 HA HIS 73 HA HIS 73 -4.180 6.966 -10.309 563 HB2 HIS 73 2HB HIS 73 -4.856 9.354 -10.443 564 HB3 HIS 73 3HB HIS 73 -3.715 9.729 -9.152 565 HD1 HIS 73 HD1 HIS 73 -1.139 9.343 -9.694 566 HD2 HIS 73 HD2 HIS 73 -3.689 9.056 -12.979 567 HE1 HIS 73 HE1 HIS 73 0.331 9.455 -11.753 568 H ARG 74 H ARG 74 -2.537 9.064 -7.969 569 HA ARG 74 HA ARG 74 -0.740 6.820 -7.199 570 HB2 ARG 74 2HB ARG 74 0.273 7.917 -9.189 571 HB3 ARG 74 3HB ARG 74 0.253 9.457 -8.329 572 HG2 ARG 74 2HG ARG 74 1.726 8.542 -6.598 573 HG3 ARG 74 3HG ARG 74 1.702 6.963 -7.383 574 HD2 ARG 74 2HD ARG 74 3.745 8.121 -8.022 575 HD3 ARG 74 3HD ARG 74 2.686 8.024 -9.429 576 HE ARG 74 HE ARG 74 2.207 10.484 -8.031 577 HH11 ARG 74 1HH2 ARG 74 4.498 8.825 -10.007 578 HH12 ARG 74 2HH2 ARG 74 5.152 10.274 -10.694 579 HH21 ARG 74 1HH1 ARG 74 3.052 12.383 -8.917 580 HH22 ARG 74 2HH1 ARG 74 4.335 12.287 -10.078 581 H LEU 75 H LEU 75 0.416 7.230 -5.244 582 HA LEU 75 HA LEU 75 -0.255 9.734 -3.779 583 HB2 LEU 75 2HB LEU 75 -1.989 8.166 -3.100 584 HB3 LEU 75 3HB LEU 75 -0.788 6.916 -2.782 585 HG LEU 75 HG LEU 75 0.172 8.250 -0.966 586 HD11 LEU 75 1HD1 LEU 75 -1.769 10.320 -1.991 587 HD12 LEU 75 2HD1 LEU 75 -0.061 10.502 -1.586 588 HD13 LEU 75 3HD1 LEU 75 -1.258 10.344 -0.302 589 HD21 LEU 75 3HD2 LEU 75 -1.815 8.270 0.554 590 HD22 LEU 75 1HD2 LEU 75 -1.674 6.780 -0.379 591 HD23 LEU 75 2HD2 LEU 75 -2.849 8.008 -0.850 592 H ALA 76 H ALA 76 1.485 10.464 -2.617 593 HA ALA 76 HA ALA 76 3.572 8.546 -1.759 594 HB1 ALA 76 3HB ALA 76 4.344 9.206 -3.981 595 HB2 ALA 76 1HB ALA 76 5.368 9.960 -2.760 596 HB3 ALA 76 2HB ALA 76 4.128 10.910 -3.578 597 H TYR 77 H TYR 77 4.554 9.185 0.124 598 HA TYR 77 HA TYR 77 4.639 11.957 0.977 599 HB2 TYR 77 2HB TYR 77 3.178 11.650 2.973 600 HB3 TYR 77 3HB TYR 77 2.285 11.529 1.457 601 HD1 TYR 77 HD2 TYR 77 1.442 9.392 0.649 602 HD2 TYR 77 HD1 TYR 77 3.603 9.668 4.350 603 HE1 TYR 77 HE2 TYR 77 0.678 7.116 1.263 604 HE2 TYR 77 HE1 TYR 77 2.838 7.390 4.966 605 HH TYR 77 HH TYR 77 1.400 5.270 2.733 606 H SER 78 H SER 78 5.801 12.175 3.019 607 HA SER 78 HA SER 78 7.710 9.987 3.418 608 HB2 SER 78 2HB SER 78 8.659 11.619 5.125 609 HB3 SER 78 3HB SER 78 8.614 12.201 3.463 610 HG SER 78 HG SER 78 7.336 13.721 4.119 611 H PHE 79 H PHE 79 8.043 8.903 5.427 612 HA PHE 79 HA PHE 79 6.481 9.293 7.786 613 HB2 PHE 79 2HB PHE 79 4.583 8.521 6.454 614 HB3 PHE 79 3HB PHE 79 5.503 7.127 5.894 615 HD1 PHE 79 HD1 PHE 79 4.378 8.788 9.062 616 HD2 PHE 79 HD2 PHE 79 5.330 5.103 7.070 617 HE1 PHE 79 HE1 PHE 79 3.649 7.519 11.063 618 HE2 PHE 79 HE2 PHE 79 4.601 3.833 9.070 619 HZ PHE 79 HZ PHE 79 3.760 5.041 11.067 620 H GLY 80 H GLY 80 7.632 6.532 5.819 621 HA2 GLY 80 2HA GLY 80 9.293 4.942 6.271 622 HA3 GLY 80 3HA GLY 80 9.938 6.068 7.465 623 H TRP 81 H TRP 81 10.254 4.603 9.159 624 HA TRP 81 HA TRP 81 7.857 3.071 10.101 625 HB2 TRP 81 2HB TRP 81 9.987 1.811 9.605 626 HB3 TRP 81 3HB TRP 81 10.750 2.701 10.926 627 HD1 TRP 81 HD1 TRP 81 10.612 1.544 13.178 628 HE1 TRP 81 HE1 TRP 81 9.041 -0.175 14.283 629 HE3 TRP 81 HE3 TRP 81 7.195 0.938 9.431 630 HZ2 TRP 81 HZ2 TRP 81 6.647 -1.614 13.659 631 HZ3 TRP 81 HZ3 TRP 81 5.280 -0.609 9.713 632 HH2 TRP 81 HH2 TRP 81 5.004 -1.885 11.820 633 H ASP 82 H ASP 82 6.816 3.912 11.786 634 HA ASP 82 HA ASP 82 7.715 6.231 13.199 635 HB2 ASP 82 2HB ASP 82 5.334 5.609 12.880 636 HB3 ASP 82 3HB ASP 82 5.559 4.258 13.989 637 H GLY 83 H GLY 83 8.634 6.471 15.211 638 HA2 GLY 83 2HA GLY 83 9.433 5.763 17.355 639 HA3 GLY 83 3HA GLY 83 9.157 4.083 16.886 640 H SER 84 H SER 84 10.619 5.769 14.381 641 HA SER 84 HA SER 84 13.349 4.815 15.194 642 HB2 SER 84 2HB SER 84 12.093 4.926 12.436 643 HB3 SER 84 3HB SER 84 13.757 4.455 12.779 644 HG SER 84 HG SER 84 11.868 3.163 14.300 645 H GLU 85 H GLU 85 14.707 6.474 15.501 646 HA GLU 85 HA GLU 85 14.153 9.099 14.186 647 HB2 GLU 85 2HB GLU 85 15.952 8.330 16.509 648 HB3 GLU 85 3HB GLU 85 15.777 9.967 15.876 649 HG2 GLU 85 2HG GLU 85 13.492 8.290 16.963 650 HG3 GLU 85 3HG GLU 85 14.335 9.544 17.873 651 H VAL 86 H VAL 86 16.245 6.371 14.087 652 HA VAL 86 HA VAL 86 18.552 7.745 12.979 653 HB VAL 86 HB VAL 86 19.370 5.477 12.447 654 HG11 VAL 86 1HG1 VAL 86 18.037 5.650 15.167 655 HG12 VAL 86 2HG1 VAL 86 19.595 6.363 14.750 656 HG13 VAL 86 3HG1 VAL 86 19.399 4.611 14.748 657 HG21 VAL 86 3HG2 VAL 86 17.887 3.546 13.189 658 HG22 VAL 86 1HG2 VAL 86 17.359 4.375 11.726 659 HG23 VAL 86 2HG2 VAL 86 16.556 4.701 13.261 660 H VAL 87 H VAL 87 15.754 8.000 11.746 661 HA VAL 87 HA VAL 87 16.651 7.601 8.924 662 HB VAL 87 HB VAL 87 13.863 6.901 9.883 663 HG11 VAL 87 1HG1 VAL 87 13.966 7.519 7.541 664 HG12 VAL 87 2HG1 VAL 87 13.803 5.766 7.640 665 HG13 VAL 87 3HG1 VAL 87 15.373 6.487 7.287 666 HG21 VAL 87 3HG2 VAL 87 14.653 4.515 9.407 667 HG22 VAL 87 1HG2 VAL 87 15.286 5.253 10.878 668 HG23 VAL 87 2HG2 VAL 87 16.296 5.155 9.436 669 HA PRO 88 HA PRO 88 14.789 11.802 9.994 670 HB2 PRO 88 2HB PRO 88 17.090 12.763 8.364 671 HB3 PRO 88 3HB PRO 88 16.540 13.304 9.961 672 HG2 PRO 88 2HG PRO 88 18.774 11.823 9.606 673 HG3 PRO 88 3HG PRO 88 17.783 11.734 11.071 674 HD2 PRO 88 2HD PRO 88 17.972 9.791 8.802 675 HD3 PRO 88 3HD PRO 88 17.656 9.494 10.524 676 HA PRO 89 HA PRO 89 12.854 12.593 6.075 677 HB2 PRO 89 2HB PRO 89 14.089 15.296 5.746 678 HB3 PRO 89 3HB PRO 89 12.374 14.844 5.842 679 HG2 PRO 89 2HG PRO 89 13.571 16.047 7.881 680 HG3 PRO 89 3HG PRO 89 12.396 14.744 8.157 681 HD2 PRO 89 2HD PRO 89 15.406 14.611 8.258 682 HD3 PRO 89 3HD PRO 89 14.209 13.894 9.360 683 H GLY 90 H GLY 90 13.181 12.288 3.865 684 HA2 GLY 90 2HA GLY 90 14.379 12.263 1.807 685 HA3 GLY 90 3HA GLY 90 15.798 12.894 2.646 686 H SER 91 H SER 91 15.515 10.834 4.784 687 HA SER 91 HA SER 91 17.236 8.836 3.691 688 HB2 SER 91 2HB SER 91 17.140 9.407 6.098 689 HB3 SER 91 3HB SER 91 15.515 8.732 6.185 690 HG SER 91 HG SER 91 17.023 6.929 5.025 691 H SER 92 H SER 92 13.729 8.874 4.332 692 HA SER 92 HA SER 92 13.464 6.496 2.535 693 HB2 SER 92 2HB SER 92 11.704 5.632 4.119 694 HB3 SER 92 3HB SER 92 13.343 5.569 4.762 695 HG SER 92 HG SER 92 11.185 7.203 5.448 696 H LEU 93 H LEU 93 11.403 6.358 1.504 697 HA LEU 93 HA LEU 93 9.503 8.581 1.914 698 HB2 LEU 93 2HB LEU 93 11.078 9.502 0.260 699 HB3 LEU 93 3HB LEU 93 10.867 8.075 -0.754 700 HG LEU 93 HG LEU 93 8.472 8.609 -1.028 701 HD11 LEU 93 1HD1 LEU 93 9.153 10.768 0.953 702 HD12 LEU 93 2HD1 LEU 93 7.743 9.712 0.890 703 HD13 LEU 93 3HD1 LEU 93 7.880 11.060 -0.234 704 HD21 LEU 93 3HD2 LEU 93 9.958 9.520 -2.691 705 HD22 LEU 93 1HD2 LEU 93 10.408 10.859 -1.634 706 HD23 LEU 93 2HD2 LEU 93 8.776 10.770 -2.298 707 H VAL 94 H VAL 94 7.478 7.790 1.736 708 HA VAL 94 HA VAL 94 7.118 5.035 0.726 709 HB VAL 94 HB VAL 94 5.082 6.898 1.971 710 HG11 VAL 94 1HG1 VAL 94 3.984 4.705 2.519 711 HG12 VAL 94 2HG1 VAL 94 5.208 3.898 1.540 712 HG13 VAL 94 3HG1 VAL 94 4.080 5.026 0.786 713 HG21 VAL 94 3HG2 VAL 94 6.981 4.882 3.205 714 HG22 VAL 94 1HG2 VAL 94 5.592 5.562 4.051 715 HG23 VAL 94 2HG2 VAL 94 6.911 6.613 3.534 716 H GLU 95 H GLU 95 6.160 4.561 -1.195 717 HA GLU 95 HA GLU 95 4.630 6.688 -2.626 718 HB2 GLU 95 2HB GLU 95 6.912 5.036 -3.732 719 HB3 GLU 95 3HB GLU 95 5.772 5.921 -4.749 720 HG2 GLU 95 2HG GLU 95 6.395 8.024 -3.664 721 HG3 GLU 95 3HG GLU 95 7.476 7.161 -2.570 722 H ILE 96 H ILE 96 2.873 5.897 -3.747 723 HA ILE 96 HA ILE 96 2.538 2.926 -3.910 724 HB ILE 96 HB ILE 96 0.483 4.930 -2.923 725 HG12 ILE 96 2HG1 ILE 96 1.775 2.577 -1.514 726 HG13 ILE 96 3HG1 ILE 96 2.301 4.245 -1.312 727 HG21 ILE 96 1HG2 ILE 96 0.341 1.958 -3.506 728 HG22 ILE 96 2HG2 ILE 96 -0.625 3.236 -4.241 729 HG23 ILE 96 3HG2 ILE 96 -0.865 2.815 -2.547 730 HD11 ILE 96 3HD1 ILE 96 0.797 3.803 0.494 731 HD12 ILE 96 1HD1 ILE 96 -0.376 3.051 -0.585 732 HD13 ILE 96 2HD1 ILE 96 -0.100 4.791 -0.659 733 H ASP 97 H ASP 97 1.524 2.233 -5.773 734 HA ASP 97 HA ASP 97 0.563 4.344 -7.684 735 HB2 ASP 97 2HB ASP 97 2.773 3.483 -8.362 736 HB3 ASP 97 3HB ASP 97 2.146 1.835 -8.316 737 H LEU 98 H LEU 98 -1.527 4.025 -8.220 738 HA LEU 98 HA LEU 98 -2.748 1.332 -7.780 739 HB2 LEU 98 2HB LEU 98 -4.107 3.991 -8.313 740 HB3 LEU 98 3HB LEU 98 -4.875 2.500 -7.770 741 HG LEU 98 HG LEU 98 -2.815 4.107 -6.233 742 HD11 LEU 98 1HD1 LEU 98 -5.802 3.736 -5.954 743 HD12 LEU 98 2HD1 LEU 98 -4.909 5.246 -6.140 744 HD13 LEU 98 3HD1 LEU 98 -4.796 4.334 -4.635 745 HD21 LEU 98 3HD2 LEU 98 -2.433 1.884 -5.556 746 HD22 LEU 98 1HD2 LEU 98 -4.127 1.431 -5.745 747 HD23 LEU 98 2HD2 LEU 98 -3.626 2.432 -4.382 748 H ILE 99 H ILE 99 -3.392 0.131 -9.504 749 HA ILE 99 HA ILE 99 -3.454 1.449 -12.205 750 HB ILE 99 HB ILE 99 -2.511 -1.348 -11.494 751 HG12 ILE 99 2HG1 ILE 99 -0.389 -0.157 -12.720 752 HG13 ILE 99 3HG1 ILE 99 -1.113 1.271 -11.987 753 HG21 ILE 99 1HG2 ILE 99 -2.823 0.118 -14.129 754 HG22 ILE 99 2HG2 ILE 99 -3.600 -1.386 -13.637 755 HG23 ILE 99 3HG2 ILE 99 -1.866 -1.352 -13.947 756 HD11 ILE 99 3HD1 ILE 99 -0.032 -1.200 -10.635 757 HD12 ILE 99 1HD1 ILE 99 -1.180 -0.149 -9.807 758 HD13 ILE 99 2HD1 ILE 99 0.375 0.488 -10.334 759 H GLU 100 H GLU 100 -5.333 1.208 -13.263 760 HA GLU 100 HA GLU 100 -7.498 -0.299 -12.024 761 HB2 GLU 100 2HB GLU 100 -7.636 1.944 -13.329 762 HB3 GLU 100 3HB GLU 100 -7.593 0.942 -14.778 763 HG2 GLU 100 2HG GLU 100 -9.590 0.595 -12.519 764 HG3 GLU 100 3HG GLU 100 -9.918 1.467 -14.016 765 H GLN 101 H GLN 101 -8.280 -2.285 -12.653 766 HA GLN 101 HA GLN 101 -7.346 -3.461 -15.215 767 HB2 GLN 101 2HB GLN 101 -6.848 -4.650 -12.479 768 HB3 GLN 101 3HB GLN 101 -6.803 -5.607 -13.960 769 HG2 GLN 101 2HG GLN 101 -5.077 -4.094 -14.880 770 HG3 GLN 101 3HG GLN 101 -5.109 -3.159 -13.387 771 HE21 GLN 101 1HE2 GLN 101 -2.663 -4.058 -13.743 772 HE22 GLN 101 2HE2 GLN 101 -2.323 -5.477 -12.877 773 H GLY 102 H GLY 102 -8.570 -5.406 -15.787 774 HA2 GLY 102 2HA GLY 102 -11.372 -5.088 -15.431 775 HA3 GLY 102 3HA GLY 102 -10.597 -6.532 -16.083 776 H GLY 103 H GLY 103 -9.053 -7.259 -13.811 777 HA2 GLY 103 2HA GLY 103 -11.213 -8.388 -12.142 778 HA3 GLY 103 3HA GLY 103 -9.514 -8.865 -12.103 779 H GLY 104 H GLY 104 -11.871 -6.582 -10.902 780 HA2 GLY 104 2HA GLY 104 -11.815 -5.150 -9.055 781 HA3 GLY 104 3HA GLY 104 -10.539 -6.194 -8.438 782 H THR 105 H THR 105 -9.154 -4.627 -7.670 783 HA THR 105 HA THR 105 -7.948 -2.786 -9.711 784 HB THR 105 HB THR 105 -8.540 -2.206 -6.793 785 HG1 THR 105 HG1 THR 105 -9.604 -1.309 -9.254 786 HG21 THR 105 3HG2 THR 105 -7.095 -0.650 -8.946 787 HG22 THR 105 1HG2 THR 105 -6.469 -1.145 -7.373 788 HG23 THR 105 2HG2 THR 105 -7.717 0.097 -7.476 789 H LEU 106 H LEU 106 -5.772 -2.925 -9.847 790 HA LEU 106 HA LEU 106 -4.387 -4.783 -8.013 791 HB2 LEU 106 2HB LEU 106 -3.934 -5.037 -10.387 792 HB3 LEU 106 3HB LEU 106 -3.488 -3.338 -10.524 793 HG LEU 106 HG LEU 106 -1.546 -3.682 -9.085 794 HD11 LEU 106 1HD1 LEU 106 -1.042 -6.186 -8.509 795 HD12 LEU 106 2HD1 LEU 106 -2.781 -6.409 -8.709 796 HD13 LEU 106 3HD1 LEU 106 -2.168 -5.290 -7.490 797 HD21 LEU 106 3HD2 LEU 106 -1.421 -4.236 -11.539 798 HD22 LEU 106 1HD2 LEU 106 -1.682 -5.927 -11.114 799 HD23 LEU 106 2HD2 LEU 106 -0.235 -5.089 -10.552 800 H LEU 107 H LEU 107 -3.200 -4.085 -6.336 801 HA LEU 107 HA LEU 107 -2.524 -1.166 -6.177 802 HB2 LEU 107 2HB LEU 107 -4.081 -1.968 -4.462 803 HB3 LEU 107 3HB LEU 107 -2.942 -3.226 -3.994 804 HG LEU 107 HG LEU 107 -1.785 -0.479 -4.004 805 HD11 LEU 107 1HD1 LEU 107 -2.845 0.005 -1.741 806 HD12 LEU 107 2HD1 LEU 107 -4.034 -1.239 -2.128 807 HD13 LEU 107 3HD1 LEU 107 -3.903 0.201 -3.139 808 HD21 LEU 107 3HD2 LEU 107 -0.776 -2.696 -3.107 809 HD22 LEU 107 1HD2 LEU 107 -1.857 -2.477 -1.732 810 HD23 LEU 107 2HD2 LEU 107 -0.629 -1.264 -2.091 811 H ARG 108 H ARG 108 -0.418 -0.675 -6.280 812 HA ARG 108 HA ARG 108 1.610 -2.824 -5.742 813 HB2 ARG 108 2HB ARG 108 1.564 -1.971 -8.084 814 HB3 ARG 108 3HB ARG 108 1.874 -0.345 -7.474 815 HG2 ARG 108 2HG ARG 108 3.997 -1.097 -6.489 816 HG3 ARG 108 3HG ARG 108 3.684 -2.743 -7.042 817 HD2 ARG 108 2HD ARG 108 3.894 -0.346 -8.888 818 HD3 ARG 108 3HD ARG 108 5.227 -1.450 -8.549 819 HE ARG 108 HE ARG 108 3.035 -3.032 -9.378 820 HH11 ARG 108 1HH2 ARG 108 5.115 -0.549 -10.574 821 HH12 ARG 108 2HH2 ARG 108 5.030 -1.091 -12.217 822 HH21 ARG 108 1HH1 ARG 108 2.918 -3.748 -11.514 823 HH22 ARG 108 2HH1 ARG 108 3.788 -2.900 -12.749 824 H LEU 109 H LEU 109 3.055 -2.425 -4.127 825 HA LEU 109 HA LEU 109 2.906 0.245 -2.775 826 HB2 LEU 109 2HB LEU 109 2.323 -1.907 -1.516 827 HB3 LEU 109 3HB LEU 109 4.030 -2.325 -1.650 828 HG LEU 109 HG LEU 109 4.368 0.148 -0.685 829 HD11 LEU 109 1HD1 LEU 109 2.634 0.972 0.663 830 HD12 LEU 109 2HD1 LEU 109 1.798 -0.581 0.720 831 HD13 LEU 109 3HD1 LEU 109 1.763 0.384 -0.752 832 HD21 LEU 109 3HD2 LEU 109 5.175 -1.866 0.429 833 HD22 LEU 109 1HD2 LEU 109 3.546 -2.249 0.986 834 HD23 LEU 109 2HD2 LEU 109 4.380 -0.825 1.611 835 H THR 110 H THR 110 4.649 1.529 -2.940 836 HA THR 110 HA THR 110 7.306 0.302 -3.620 837 HB THR 110 HB THR 110 6.138 2.965 -4.482 838 HG1 THR 110 HG1 THR 110 5.400 1.581 -5.912 839 HG21 THR 110 3HG2 THR 110 8.889 1.751 -4.786 840 HG22 THR 110 1HG2 THR 110 8.466 3.318 -4.097 841 HG23 THR 110 2HG2 THR 110 8.304 3.045 -5.831 842 H HIS 111 H HIS 111 8.781 0.616 -2.053 843 HA HIS 111 HA HIS 111 8.593 3.058 -0.331 844 HB2 HIS 111 2HB HIS 111 7.603 0.985 0.777 845 HB3 HIS 111 3HB HIS 111 9.225 0.293 0.732 846 HD1 HIS 111 HD1 HIS 111 11.133 1.929 1.885 847 HD2 HIS 111 HD2 HIS 111 7.167 2.551 3.006 848 HE1 HIS 111 HE1 HIS 111 11.198 3.231 4.055 849 H SER 112 H SER 112 10.594 3.954 0.131 850 HA SER 112 HA SER 112 13.030 2.422 -0.741 851 HB2 SER 112 2HB SER 112 12.471 5.372 -1.145 852 HB3 SER 112 3HB SER 112 13.959 4.536 -1.582 853 HG SER 112 HG SER 112 11.364 4.273 -2.664 854 H GLY 113 H GLY 113 14.946 2.914 0.444 855 HA2 GLY 113 2HA GLY 113 15.968 4.469 2.174 856 HA3 GLY 113 3HA GLY 113 14.463 4.287 3.072 857 H LEU 114 H LEU 114 14.667 2.905 4.722 858 HA LEU 114 HA LEU 114 15.620 1.243 6.091 859 HB2 LEU 114 2HB LEU 114 15.338 -0.484 3.641 860 HB3 LEU 114 3HB LEU 114 15.124 -0.934 5.333 861 HG LEU 114 HG LEU 114 13.335 0.869 3.682 862 HD11 LEU 114 1HD1 LEU 114 13.114 -1.633 3.471 863 HD12 LEU 114 2HD1 LEU 114 11.667 -0.829 4.076 864 HD13 LEU 114 3HD1 LEU 114 12.730 -1.685 5.193 865 HD21 LEU 114 3HD2 LEU 114 13.429 0.328 6.660 866 HD22 LEU 114 1HD2 LEU 114 11.956 0.872 5.857 867 HD23 LEU 114 2HD2 LEU 114 13.396 1.890 5.840 868 HA PRO 115 HA PRO 115 19.859 1.367 4.280 869 HB2 PRO 115 2HB PRO 115 21.140 2.488 6.398 870 HB3 PRO 115 3HB PRO 115 20.233 3.457 5.218 871 HG2 PRO 115 2HG PRO 115 19.461 2.621 7.968 872 HG3 PRO 115 3HG PRO 115 19.112 4.130 7.108 873 HD2 PRO 115 2HD PRO 115 17.323 1.994 7.400 874 HD3 PRO 115 3HD PRO 115 17.177 3.281 6.182 875 H SER 116 H SER 116 18.307 -0.550 6.367 876 HA SER 116 HA SER 116 20.786 -2.076 7.111 877 HB2 SER 116 2HB SER 116 18.283 -1.585 8.742 878 HB3 SER 116 3HB SER 116 19.446 -2.853 9.122 879 HG SER 116 HG SER 116 20.087 -0.103 8.807 880 H ALA 117 H ALA 117 20.648 -4.300 6.902 881 HA ALA 117 HA ALA 117 18.827 -5.334 4.929 882 HB1 ALA 117 3HB ALA 117 20.732 -6.713 6.839 883 HB2 ALA 117 1HB ALA 117 21.066 -6.252 5.171 884 HB3 ALA 117 2HB ALA 117 19.894 -7.524 5.516 885 H GLU 118 H GLU 118 18.968 -5.538 8.458 886 HA GLU 118 HA GLU 118 16.912 -7.507 8.769 887 HB2 GLU 118 2HB GLU 118 17.821 -5.293 10.636 888 HB3 GLU 118 3HB GLU 118 16.753 -6.614 11.098 889 HG2 GLU 118 2HG GLU 118 18.832 -7.451 11.767 890 HG3 GLU 118 3HG GLU 118 18.684 -8.148 10.155 891 H GLN 119 H GLN 119 16.829 -3.955 8.669 892 HA GLN 119 HA GLN 119 14.026 -3.699 9.220 893 HB2 GLN 119 2HB GLN 119 15.922 -1.895 7.685 894 HB3 GLN 119 3HB GLN 119 14.299 -1.435 8.198 895 HG2 GLN 119 2HG GLN 119 16.480 -2.358 10.094 896 HG3 GLN 119 3HG GLN 119 16.095 -0.667 9.773 897 HE21 GLN 119 1HE2 GLN 119 15.584 -2.877 12.101 898 HE22 GLN 119 2HE2 GLN 119 14.021 -2.452 12.606 899 H CYS 120 H CYS 120 15.861 -4.092 6.206 900 HA CYS 120 HA CYS 120 13.669 -3.681 4.399 901 HB2 CYS 120 2HB CYS 120 16.197 -5.339 4.140 902 HB3 CYS 120 3HB CYS 120 15.133 -4.930 2.794 903 HG CYS 120 HG CYS 120 15.764 -2.420 3.106 904 H ALA 121 H ALA 121 15.077 -6.498 5.885 905 HA ALA 121 HA ALA 121 13.522 -8.552 4.710 906 HB1 ALA 121 3HB ALA 121 14.876 -8.367 7.408 907 HB2 ALA 121 1HB ALA 121 15.636 -8.885 5.907 908 HB3 ALA 121 2HB ALA 121 14.364 -9.868 6.636 909 H GLY 122 H GLY 122 13.122 -6.975 7.904 910 HA2 GLY 122 2HA GLY 122 10.748 -8.445 8.588 911 HA3 GLY 122 3HA GLY 122 11.312 -6.986 9.397 912 H HIS 123 H HIS 123 11.250 -5.230 7.170 913 HA HIS 123 HA HIS 123 8.497 -4.435 7.213 914 HB2 HIS 123 2HB HIS 123 10.863 -3.630 5.512 915 HB3 HIS 123 3HB HIS 123 9.277 -2.880 5.335 916 HD1 HIS 123 HD1 HIS 123 11.072 -3.890 8.543 917 HD2 HIS 123 HD2 HIS 123 9.624 -0.464 6.658 918 HE1 HIS 123 HE1 HIS 123 11.365 -1.989 10.190 919 H GLU 124 H GLU 124 10.488 -6.022 4.722 920 HA GLU 124 HA GLU 124 8.566 -6.111 2.649 921 HB2 GLU 124 2HB GLU 124 10.963 -6.760 2.425 922 HB3 GLU 124 3HB GLU 124 10.628 -8.224 3.351 923 HG2 GLU 124 2HG GLU 124 9.015 -8.955 1.653 924 HG3 GLU 124 3HG GLU 124 9.294 -7.477 0.731 925 H GLU 125 H GLU 125 9.226 -8.537 5.190 926 HA GLU 125 HA GLU 125 7.034 -10.254 4.430 927 HB2 GLU 125 2HB GLU 125 9.040 -10.941 5.799 928 HB3 GLU 125 3HB GLU 125 8.375 -10.014 7.141 929 HG2 GLU 125 2HG GLU 125 7.692 -12.294 7.463 930 HG3 GLU 125 3HG GLU 125 6.265 -11.407 6.924 931 H GLY 126 H GLY 126 7.413 -7.579 6.712 932 HA2 GLY 126 2HA GLY 126 4.900 -7.882 8.045 933 HA3 GLY 126 3HA GLY 126 5.824 -6.382 7.953 934 H TRP 127 H TRP 127 5.840 -5.800 5.285 935 HA TRP 127 HA TRP 127 3.312 -4.628 4.818 936 HB2 TRP 127 2HB TRP 127 5.604 -5.338 2.983 937 HB3 TRP 127 3HB TRP 127 4.149 -4.562 2.363 938 HD1 TRP 127 HD1 TRP 127 7.431 -3.689 3.576 939 HE1 TRP 127 HE1 TRP 127 7.531 -1.251 4.404 940 HE3 TRP 127 HE3 TRP 127 2.439 -2.667 3.914 941 HZ2 TRP 127 HZ2 TRP 127 5.732 0.856 5.111 942 HZ3 TRP 127 HZ3 TRP 127 1.662 -0.439 4.663 943 HH2 TRP 127 HH2 TRP 127 3.300 1.324 5.260 944 H ALA 128 H ALA 128 4.618 -7.735 3.690 945 HA ALA 128 HA ALA 128 2.454 -8.417 1.963 946 HB1 ALA 128 3HB ALA 128 4.045 -10.375 3.632 947 HB2 ALA 128 1HB ALA 128 4.713 -9.585 2.206 948 HB3 ALA 128 2HB ALA 128 3.313 -10.647 2.051 949 H HIS 129 H HIS 129 2.929 -8.863 5.446 950 HA HIS 129 HA HIS 129 0.519 -10.408 5.855 951 HB2 HIS 129 2HB HIS 129 2.393 -10.431 7.455 952 HB3 HIS 129 3HB HIS 129 2.139 -8.716 7.782 953 HD1 HIS 129 HD1 HIS 129 0.280 -12.027 8.068 954 HD2 HIS 129 HD2 HIS 129 0.243 -8.207 9.738 955 HE1 HIS 129 HE1 HIS 129 -1.394 -12.092 9.968 956 H TYR 130 H TYR 130 1.345 -6.994 6.482 957 HA TYR 130 HA TYR 130 -1.264 -6.192 7.306 958 HB2 TYR 130 2HB TYR 130 0.906 -4.542 5.975 959 HB3 TYR 130 3HB TYR 130 -0.466 -3.897 6.872 960 HD1 TYR 130 HD2 TYR 130 -0.767 -5.151 9.304 961 HD2 TYR 130 HD1 TYR 130 2.922 -4.608 7.160 962 HE1 TYR 130 HE2 TYR 130 0.501 -5.392 11.416 963 HE2 TYR 130 HE1 TYR 130 4.185 -4.852 9.278 964 HH TYR 130 HH TYR 130 2.622 -5.842 12.246 965 H LEU 131 H LEU 131 0.267 -6.307 4.116 966 HA LEU 131 HA LEU 131 -1.788 -4.952 2.673 967 HB2 LEU 131 2HB LEU 131 0.278 -7.026 1.940 968 HB3 LEU 131 3HB LEU 131 -0.891 -6.476 0.745 969 HG LEU 131 HG LEU 131 0.775 -4.513 2.337 970 HD11 LEU 131 1HD1 LEU 131 2.363 -4.482 0.439 971 HD12 LEU 131 2HD1 LEU 131 1.485 -5.813 -0.314 972 HD13 LEU 131 3HD1 LEU 131 2.329 -6.064 1.214 973 HD21 LEU 131 3HD2 LEU 131 0.408 -3.202 0.140 974 HD22 LEU 131 1HD2 LEU 131 -1.001 -3.414 1.172 975 HD23 LEU 131 2HD2 LEU 131 -0.797 -4.422 -0.257 976 H GLY 132 H GLY 132 -1.363 -8.338 3.609 977 HA2 GLY 132 2HA GLY 132 -3.557 -9.416 2.163 978 HA3 GLY 132 3HA GLY 132 -2.900 -10.107 3.649 979 H ARG 133 H ARG 133 -3.397 -7.922 5.393 980 HA ARG 133 HA ARG 133 -6.133 -8.409 6.101 981 HB2 ARG 133 2HB ARG 133 -4.019 -6.453 6.988 982 HB3 ARG 133 3HB ARG 133 -5.675 -6.221 7.538 983 HG2 ARG 133 2HG ARG 133 -4.628 -7.527 9.221 984 HG3 ARG 133 3HG ARG 133 -5.605 -8.674 8.309 985 HD2 ARG 133 2HD ARG 133 -3.602 -9.314 6.997 986 HD3 ARG 133 3HD ARG 133 -2.642 -8.170 7.935 987 HE ARG 133 HE ARG 133 -2.654 -9.700 9.732 988 HH11 ARG 133 1HH2 ARG 133 -4.992 -10.498 7.318 989 HH12 ARG 133 2HH2 ARG 133 -5.366 -12.043 8.010 990 HH21 ARG 133 1HH1 ARG 133 -3.131 -11.704 10.637 991 HH22 ARG 133 2HH1 ARG 133 -4.313 -12.724 9.888 992 H LEU 134 H LEU 134 -4.554 -5.727 4.397 993 HA LEU 134 HA LEU 134 -6.834 -4.038 4.239 994 HB2 LEU 134 2HB LEU 134 -4.544 -3.287 3.692 995 HB3 LEU 134 3HB LEU 134 -4.537 -4.337 2.277 996 HG LEU 134 HG LEU 134 -6.431 -3.081 1.321 997 HD11 LEU 134 1HD1 LEU 134 -6.857 -0.788 2.557 998 HD12 LEU 134 2HD1 LEU 134 -6.293 -1.668 3.977 999 HD13 LEU 134 3HD1 LEU 134 -7.706 -2.238 3.086 1000 HD21 LEU 134 3HD2 LEU 134 -4.176 -1.266 2.233 1001 HD22 LEU 134 1HD2 LEU 134 -5.212 -1.011 0.828 1002 HD23 LEU 134 2HD2 LEU 134 -4.092 -2.373 0.864 1003 H THR 135 H THR 135 -5.699 -6.646 2.128 1004 HA THR 135 HA THR 135 -7.591 -6.300 0.035 1005 HB THR 135 HB THR 135 -6.272 -8.830 1.057 1006 HG1 THR 135 HG1 THR 135 -5.601 -6.854 -0.844 1007 HG21 THR 135 3HG2 THR 135 -8.118 -9.495 -0.298 1008 HG22 THR 135 1HG2 THR 135 -6.703 -9.563 -1.347 1009 HG23 THR 135 2HG2 THR 135 -7.819 -8.202 -1.461 1010 H GLU 136 H GLU 136 -7.783 -8.223 3.034 1011 HA GLU 136 HA GLU 136 -10.316 -9.416 2.480 1012 HB2 GLU 136 2HB GLU 136 -8.964 -8.734 5.105 1013 HB3 GLU 136 3HB GLU 136 -10.439 -9.695 4.983 1014 HG2 GLU 136 2HG GLU 136 -9.272 -11.340 3.575 1015 HG3 GLU 136 3HG GLU 136 -7.799 -10.371 3.647 1016 H VAL 137 H VAL 137 -9.443 -6.286 3.881 1017 HA VAL 137 HA VAL 137 -12.065 -5.571 4.805 1018 HB VAL 137 HB VAL 137 -9.716 -3.877 3.900 1019 HG11 VAL 137 1HG1 VAL 137 -10.947 -2.085 5.268 1020 HG12 VAL 137 2HG1 VAL 137 -12.373 -3.111 5.121 1021 HG13 VAL 137 3HG1 VAL 137 -11.606 -2.454 3.676 1022 HG21 VAL 137 3HG2 VAL 137 -9.118 -5.054 5.870 1023 HG22 VAL 137 1HG2 VAL 137 -10.724 -4.874 6.571 1024 HG23 VAL 137 2HG2 VAL 137 -9.654 -3.479 6.451 1025 H ALA 138 H ALA 138 -10.385 -4.992 1.715 1026 HA ALA 138 HA ALA 138 -12.434 -3.424 0.507 1027 HB1 ALA 138 3HB ALA 138 -10.308 -5.231 -0.660 1028 HB2 ALA 138 1HB ALA 138 -10.273 -3.474 -0.518 1029 HB3 ALA 138 2HB ALA 138 -11.377 -4.244 -1.657 1030 H ALA 139 H ALA 139 -11.945 -6.934 0.646 1031 HA ALA 139 HA ALA 139 -14.605 -7.312 -0.698 1032 HB1 ALA 139 3HB ALA 139 -12.440 -9.402 -0.352 1033 HB2 ALA 139 1HB ALA 139 -12.515 -8.336 -1.756 1034 HB3 ALA 139 2HB ALA 139 -13.837 -9.454 -1.425 1035 H GLY 140 H GLY 140 -13.854 -6.773 2.249 1036 HA2 GLY 140 2HA GLY 140 -15.812 -8.502 3.400 1037 HA3 GLY 140 3HA GLY 140 -14.198 -9.091 3.802 1038 H ARG 141 H ARG 141 -15.005 -8.536 6.027 1039 HA ARG 141 HA ARG 141 -14.144 -5.785 6.740 1040 HB2 ARG 141 2HB ARG 141 -16.803 -7.027 7.484 1041 HB3 ARG 141 3HB ARG 141 -16.109 -5.653 8.348 1042 HG2 ARG 141 2HG ARG 141 -16.012 -4.376 6.235 1043 HG3 ARG 141 3HG ARG 141 -16.725 -5.744 5.380 1044 HD2 ARG 141 2HD ARG 141 -18.064 -4.345 7.713 1045 HD3 ARG 141 3HD ARG 141 -18.385 -3.957 6.023 1046 HE ARG 141 HE ARG 141 -18.723 -6.756 6.341 1047 HH11 ARG 141 1HH2 ARG 141 -20.084 -3.752 7.368 1048 HH12 ARG 141 2HH2 ARG 141 -21.683 -4.391 7.547 1049 HH21 ARG 141 1HH1 ARG 141 -20.802 -7.597 6.570 1050 HH22 ARG 141 2HH1 ARG 141 -22.090 -6.566 7.097 1051 H ASP 142 H ASP 142 -13.684 -5.592 9.074 1052 HA ASP 142 HA ASP 142 -12.350 -6.380 10.843 1053 HB2 ASP 142 2HB ASP 142 -13.534 -8.180 12.169 1054 HB3 ASP 142 3HB ASP 142 -14.521 -6.765 11.801 1055 HA PRO 143 HA PRO 143 -10.432 -9.707 8.113 1056 HB2 PRO 143 2HB PRO 143 -8.054 -8.096 8.994 1057 HB3 PRO 143 3HB PRO 143 -8.430 -8.762 7.393 1058 HG2 PRO 143 2HG PRO 143 -8.704 -6.170 7.885 1059 HG3 PRO 143 3HG PRO 143 -9.874 -7.034 6.868 1060 HD2 PRO 143 2HD PRO 143 -10.166 -6.119 9.714 1061 HD3 PRO 143 3HD PRO 143 -11.379 -6.166 8.415 1062 H GLY 144 H GLY 144 -9.482 -8.316 11.243 1063 HA2 GLY 144 2HA GLY 144 -9.702 -10.449 12.894 1064 HA3 GLY 144 3HA GLY 144 -8.191 -10.822 12.063 1065 HA PRO 145 HA PRO 145 -7.133 -8.043 15.616 1066 HB2 PRO 145 2HB PRO 145 -5.169 -9.588 16.706 1067 HB3 PRO 145 3HB PRO 145 -6.892 -9.856 17.041 1068 HG2 PRO 145 2HG PRO 145 -5.063 -11.347 15.226 1069 HG3 PRO 145 3HG PRO 145 -6.397 -11.946 16.224 1070 HD2 PRO 145 2HD PRO 145 -6.550 -11.460 13.476 1071 HD3 PRO 145 3HD PRO 145 -7.953 -11.584 14.558 1072 H ASP 146 H ASP 146 -4.478 -7.805 16.363 1073 HA ASP 146 HA ASP 146 -3.039 -7.173 13.802 1074 HB2 ASP 146 2HB ASP 146 -2.050 -5.230 15.145 1075 HB3 ASP 146 3HB ASP 146 -3.733 -5.066 14.648 1076 HA PRO 147 HA PRO 147 -0.466 -10.051 16.405 1077 HB2 PRO 147 2HB PRO 147 0.499 -10.928 13.736 1078 HB3 PRO 147 3HB PRO 147 -0.175 -11.897 15.061 1079 HG2 PRO 147 2HG PRO 147 -1.530 -11.411 12.778 1080 HG3 PRO 147 3HG PRO 147 -2.335 -11.616 14.344 1081 HD2 PRO 147 2HD PRO 147 -1.790 -9.087 12.822 1082 HD3 PRO 147 3HD PRO 147 -3.188 -9.523 13.826 1083 H PHE 148 H PHE 148 1.851 -10.081 16.678 1084 HA PHE 148 HA PHE 148 4.008 -9.179 16.645 1085 HB2 PHE 148 2HB PHE 148 3.737 -9.643 14.132 1086 HB3 PHE 148 3HB PHE 148 3.329 -7.937 13.968 1087 HD1 PHE 148 HD2 PHE 148 5.974 -10.286 15.097 1088 HD2 PHE 148 HD1 PHE 148 4.987 -6.235 14.066 1089 HE1 PHE 148 HE2 PHE 148 8.382 -9.694 15.116 1090 HE2 PHE 148 HE1 PHE 148 7.395 -5.643 14.084 1091 HZ PHE 148 HZ PHE 148 9.092 -7.372 14.610 1092 H TYR 149 H TYR 149 1.913 -6.767 15.024 1093 HA TYR 149 HA TYR 149 3.137 -4.502 16.234 1094 HB2 TYR 149 2HB TYR 149 1.684 -4.306 14.274 1095 HB3 TYR 149 3HB TYR 149 0.308 -4.885 15.212 1096 HD1 TYR 149 HD2 TYR 149 2.801 -2.134 14.942 1097 HD2 TYR 149 HD1 TYR 149 -0.952 -3.412 16.596 1098 HE1 TYR 149 HE2 TYR 149 2.346 0.182 15.702 1099 HE2 TYR 149 HE1 TYR 149 -1.406 -1.095 17.356 1100 HH TYR 149 HH TYR 149 0.481 1.055 17.915 1101 H GLY 150 H GLY 150 0.270 -6.393 17.187 1102 HA2 GLY 150 2HA GLY 150 -0.499 -4.814 19.406 1103 HA3 GLY 150 3HA GLY 150 -0.848 -6.532 19.237 1104 H ARG 151 H ARG 151 -0.416 -5.775 21.736 1105 HA ARG 151 HA ARG 151 2.340 -5.763 22.582 1106 HB2 ARG 151 2HB ARG 151 1.388 -6.120 24.838 1107 HB3 ARG 151 3HB ARG 151 0.511 -4.857 23.976 1108 HG2 ARG 151 2HG ARG 151 -1.211 -6.528 23.319 1109 HG3 ARG 151 3HG ARG 151 -0.356 -7.754 24.256 1110 HD2 ARG 151 2HD ARG 151 -0.661 -6.403 26.304 1111 HD3 ARG 151 3HD ARG 151 -1.522 -5.181 25.369 1112 HE ARG 151 HE ARG 151 -2.707 -7.824 25.088 1113 HH11 ARG 151 1HH2 ARG 151 -2.462 -4.993 27.056 1114 HH12 ARG 151 2HH2 ARG 151 -4.028 -5.197 27.765 1115 HH21 ARG 151 1HH1 ARG 151 -4.747 -8.095 26.009 1116 HH22 ARG 151 2HH1 ARG 151 -5.320 -6.948 27.175 1117 H ARG 152 H ARG 152 0.341 -8.191 21.349 1118 HA ARG 152 HA ARG 152 0.601 -10.510 21.160 1119 HB2 ARG 152 2HB ARG 152 2.963 -9.698 20.566 1120 HB3 ARG 152 3HB ARG 152 3.404 -10.104 22.224 1121 HG2 ARG 152 2HG ARG 152 2.647 -12.419 21.873 1122 HG3 ARG 152 3HG ARG 152 2.193 -12.024 20.214 1123 HD2 ARG 152 2HD ARG 152 4.381 -13.060 20.155 1124 HD3 ARG 152 3HD ARG 152 4.587 -11.343 19.805 1125 HE ARG 152 HE ARG 152 4.869 -11.783 22.624 1126 HH11 ARG 152 1HH2 ARG 152 6.414 -12.282 19.577 1127 HH12 ARG 152 2HH2 ARG 152 8.012 -12.291 20.243 1128 HH21 ARG 152 1HH1 ARG 152 6.947 -11.796 23.504 1129 HH22 ARG 152 2HH1 ARG 152 8.315 -12.017 22.463 1130 H LEU 153 H LEU 153 2.776 -9.903 23.917 1131 HA LEU 153 HA LEU 153 0.830 -11.268 25.717 1132 HB2 LEU 153 2HB LEU 153 2.640 -12.845 24.719 1133 HB3 LEU 153 3HB LEU 153 3.771 -11.973 25.753 1134 HG LEU 153 HG LEU 153 1.909 -12.458 27.618 1135 HD11 LEU 153 1HD1 LEU 153 0.321 -13.513 26.061 1136 HD12 LEU 153 2HD1 LEU 153 0.878 -14.679 27.260 1137 HD13 LEU 153 3HD1 LEU 153 1.533 -14.715 25.625 1138 HD21 LEU 153 3HD2 LEU 153 3.898 -14.511 26.594 1139 HD22 LEU 153 1HD2 LEU 153 3.128 -14.561 28.181 1140 HD23 LEU 153 2HD2 LEU 153 4.218 -13.236 27.771 1141 H GLU 154 H GLU 154 3.475 -11.328 27.451 1142 HA GLU 154 HA GLU 154 4.289 -10.026 29.204 1143 HB2 GLU 154 2HB GLU 154 3.947 -7.886 27.078 1144 HB3 GLU 154 3HB GLU 154 4.753 -7.615 28.621 1145 HG2 GLU 154 2HG GLU 154 6.388 -9.359 28.114 1146 HG3 GLU 154 3HG GLU 154 5.554 -9.736 26.608 1147 H HIS 155 H HIS 155 1.457 -10.588 29.064 1148 HA HIS 155 HA HIS 155 -0.101 -8.260 29.691 1149 HB2 HIS 155 2HB HIS 155 -0.564 -11.155 30.468 1150 HB3 HIS 155 3HB HIS 155 -1.770 -9.869 30.523 1151 HD1 HIS 155 HD1 HIS 155 -2.223 -8.663 28.103 1152 HD2 HIS 155 HD2 HIS 155 -0.413 -12.417 28.010 1153 HE1 HIS 155 HE1 HIS 155 -2.513 -9.540 25.745 1154 H HIS 156 H HIS 156 -0.496 -7.264 31.637 1155 HA HIS 156 HA HIS 156 1.181 -8.120 33.948 1156 HB2 HIS 156 2HB HIS 156 -0.279 -5.536 33.331 1157 HB3 HIS 156 3HB HIS 156 0.641 -5.834 34.808 1158 HD1 HIS 156 HD1 HIS 156 3.239 -6.713 34.262 1159 HD2 HIS 156 HD2 HIS 156 1.303 -4.480 31.321 1160 HE1 HIS 156 HE1 HIS 156 5.047 -5.847 32.715 1161 H HIS 157 H HIS 157 -0.005 -9.692 34.962 1162 HA HIS 157 HA HIS 157 -1.733 -10.700 36.165 1163 HB2 HIS 157 2HB HIS 157 -1.033 -8.820 37.669 1164 HB3 HIS 157 3HB HIS 157 -2.336 -7.849 36.979 1165 HD1 HIS 157 HD1 HIS 157 -1.839 -11.156 38.801 1166 HD2 HIS 157 HD2 HIS 157 -4.826 -8.326 38.127 1167 HE1 HIS 157 HE1 HIS 157 -3.819 -11.855 40.217 1168 H HIS 158 H HIS 158 -4.226 -10.375 36.739 1169 HA HIS 158 HA HIS 158 -5.601 -10.368 34.187 1170 HB2 HIS 158 2HB HIS 158 -6.583 -10.607 37.043 1171 HB3 HIS 158 3HB HIS 158 -7.628 -10.771 35.630 1172 HD1 HIS 158 HD1 HIS 158 -4.729 -12.447 37.376 1173 HD2 HIS 158 HD2 HIS 158 -7.350 -13.205 34.224 1174 HE1 HIS 158 HE1 HIS 158 -4.380 -14.868 36.719 1175 H HIS 159 H HIS 159 -6.818 -8.761 33.292 1176 HA HIS 159 HA HIS 159 -6.679 -6.096 34.521 1177 HB2 HIS 159 2HB HIS 159 -6.297 -6.463 32.087 1178 HB3 HIS 159 3HB HIS 159 -7.978 -6.973 31.927 1179 HD1 HIS 159 HD1 HIS 159 -6.065 -3.960 33.291 1180 HD2 HIS 159 HD2 HIS 159 -9.661 -4.858 31.383 1181 HE1 HIS 159 HE1 HIS 159 -7.222 -1.747 32.866 1182 H HIS 160 H HIS 160 -8.275 -5.189 35.683 1183 HA HIS 160 HA HIS 160 -10.312 -4.968 36.817 1184 HB2 HIS 160 2HB HIS 160 -10.871 -4.234 34.454 1185 HB3 HIS 160 3HB HIS 160 -11.510 -5.856 34.181 1186 HD1 HIS 160 HD1 HIS 160 -13.702 -6.505 35.398 1187 HD2 HIS 160 HD2 HIS 160 -12.421 -2.628 36.241 1188 HE1 HIS 160 HE1 HIS 160 -15.622 -5.357 36.586 Start of MODEL 4 1 H1 MET 1 1H MET 1 36.378 -0.143 7.618 2 H2 MET 1 2H MET 1 36.550 0.266 5.978 3 H3 MET 1 3H MET 1 35.005 -0.014 6.628 4 HA MET 1 HA MET 1 36.505 2.047 7.986 5 HB2 MET 1 2HB MET 1 35.627 2.345 5.102 6 HB3 MET 1 3HB MET 1 35.994 3.706 6.163 7 HG2 MET 1 2HG MET 1 38.273 2.777 6.525 8 HG3 MET 1 3HG MET 1 37.903 1.478 5.395 9 HE1 MET 1 3HE MET 1 36.249 3.000 2.935 10 HE2 MET 1 1HE MET 1 37.340 1.624 3.145 11 HE3 MET 1 2HE MET 1 37.742 2.903 2.007 12 H GLU 2 H GLU 2 34.970 3.800 8.494 13 HA GLU 2 HA GLU 2 32.269 2.727 8.946 14 HB2 GLU 2 2HB GLU 2 31.938 4.800 10.250 15 HB3 GLU 2 3HB GLU 2 33.426 3.984 10.732 16 HG2 GLU 2 2HG GLU 2 34.704 5.487 9.205 17 HG3 GLU 2 3HG GLU 2 33.209 6.348 8.840 18 H LYS 3 H LYS 3 33.751 4.268 6.413 19 HA LYS 3 HA LYS 3 31.550 6.087 5.701 20 HB2 LYS 3 2HB LYS 3 33.914 6.612 5.125 21 HB3 LYS 3 3HB LYS 3 33.957 5.187 4.085 22 HG2 LYS 3 2HG LYS 3 32.170 6.112 2.697 23 HG3 LYS 3 3HG LYS 3 32.039 7.511 3.763 24 HD2 LYS 3 2HD LYS 3 34.377 8.125 3.242 25 HD3 LYS 3 3HD LYS 3 34.494 6.736 2.160 26 HE2 LYS 3 2HE LYS 3 32.675 7.646 0.774 27 HE3 LYS 3 3HE LYS 3 32.528 9.026 1.861 28 HZ1 LYS 3 3HZ LYS 3 34.822 8.318 0.123 29 HZ2 LYS 3 1HZ LYS 3 34.938 9.463 1.368 30 HZ3 LYS 3 2HZ LYS 3 33.867 9.723 0.075 31 H ALA 4 H ALA 4 29.689 4.965 5.203 32 HA ALA 4 HA ALA 4 29.867 2.584 3.408 33 HB1 ALA 4 3HB ALA 4 27.486 3.687 4.928 34 HB2 ALA 4 1HB ALA 4 28.536 2.396 5.510 35 HB3 ALA 4 2HB ALA 4 27.554 2.152 4.066 36 H MET 5 H MET 5 28.681 2.530 1.448 37 HA MET 5 HA MET 5 28.334 5.142 0.177 38 HB2 MET 5 2HB MET 5 28.267 2.271 -0.693 39 HB3 MET 5 3HB MET 5 27.515 3.469 -1.743 40 HG2 MET 5 2HG MET 5 29.563 4.680 -1.981 41 HG3 MET 5 3HG MET 5 30.327 3.779 -0.673 42 HE1 MET 5 3HE MET 5 32.507 3.060 -2.309 43 HE2 MET 5 1HE MET 5 31.633 4.363 -3.127 44 HE3 MET 5 2HE MET 5 32.145 2.939 -4.030 45 HA PRO 6 HA PRO 6 23.986 5.862 0.663 46 HB2 PRO 6 2HB PRO 6 23.700 5.648 -2.318 47 HB3 PRO 6 3HB PRO 6 23.138 6.927 -1.223 48 HG2 PRO 6 2HG PRO 6 25.314 7.220 -2.779 49 HG3 PRO 6 3HG PRO 6 25.179 7.972 -1.179 50 HD2 PRO 6 2HD PRO 6 26.877 5.684 -2.026 51 HD3 PRO 6 3HD PRO 6 27.074 6.797 -0.655 52 H GLU 7 H GLU 7 24.792 3.403 -1.747 53 HA GLU 7 HA GLU 7 23.627 1.436 -2.388 54 HB2 GLU 7 2HB GLU 7 23.689 1.313 0.636 55 HB3 GLU 7 3HB GLU 7 23.266 -0.056 -0.392 56 HG2 GLU 7 2HG GLU 7 25.458 0.054 -1.486 57 HG3 GLU 7 3HG GLU 7 25.888 1.467 -0.521 58 H SER 8 H SER 8 21.858 1.619 0.619 59 HA SER 8 HA SER 8 19.570 1.797 1.069 60 HB2 SER 8 2HB SER 8 18.462 3.576 0.083 61 HB3 SER 8 3HB SER 8 20.115 3.990 -0.361 62 HG SER 8 HG SER 8 18.054 2.869 -1.901 63 H PHE 9 H PHE 9 18.119 0.203 0.839 64 HA PHE 9 HA PHE 9 18.082 -1.376 -1.690 65 HB2 PHE 9 2HB PHE 9 17.166 -1.948 1.137 66 HB3 PHE 9 3HB PHE 9 16.759 -3.001 -0.219 67 HD1 PHE 9 HD2 PHE 9 18.544 -4.147 -1.499 68 HD2 PHE 9 HD1 PHE 9 19.406 -1.857 2.029 69 HE1 PHE 9 HE2 PHE 9 20.778 -5.214 -1.354 70 HE2 PHE 9 HE1 PHE 9 21.642 -2.921 2.174 71 HZ PHE 9 HZ PHE 9 22.328 -4.599 0.482 72 H VAL 10 H VAL 10 16.054 -1.926 -2.657 73 HA VAL 10 HA VAL 10 13.798 -0.050 -1.996 74 HB VAL 10 HB VAL 10 14.768 -1.126 -4.659 75 HG11 VAL 10 1HG1 VAL 10 12.812 0.301 -5.539 76 HG12 VAL 10 2HG1 VAL 10 12.177 0.230 -3.894 77 HG13 VAL 10 3HG1 VAL 10 12.400 -1.255 -4.817 78 HG21 VAL 10 3HG2 VAL 10 14.412 1.669 -3.537 79 HG22 VAL 10 1HG2 VAL 10 14.919 1.303 -5.187 80 HG23 VAL 10 2HG2 VAL 10 15.948 0.854 -3.825 81 H VAL 11 H VAL 11 11.845 -0.990 -1.639 82 HA VAL 11 HA VAL 11 11.602 -3.957 -2.051 83 HB VAL 11 HB VAL 11 10.413 -2.113 0.042 84 HG11 VAL 11 1HG1 VAL 11 8.624 -3.584 -0.497 85 HG12 VAL 11 2HG1 VAL 11 9.403 -4.321 0.903 86 HG13 VAL 11 3HG1 VAL 11 9.712 -4.955 -0.714 87 HG21 VAL 11 3HG2 VAL 11 12.131 -4.604 0.264 88 HG22 VAL 11 1HG2 VAL 11 11.613 -3.570 1.597 89 HG23 VAL 11 2HG2 VAL 11 12.737 -2.953 0.384 90 H ARG 12 H ARG 12 9.972 -4.617 -3.354 91 HA ARG 12 HA ARG 12 7.845 -2.637 -4.130 92 HB2 ARG 12 2HB ARG 12 9.325 -4.666 -5.828 93 HB3 ARG 12 3HB ARG 12 7.850 -3.853 -6.356 94 HG2 ARG 12 2HG ARG 12 8.935 -1.668 -6.062 95 HG3 ARG 12 3HG ARG 12 10.405 -2.462 -5.504 96 HD2 ARG 12 2HD ARG 12 10.637 -3.588 -7.679 97 HD3 ARG 12 3HD ARG 12 9.151 -2.822 -8.241 98 HE ARG 12 HE ARG 12 10.823 -0.732 -7.391 99 HH11 ARG 12 1HH2 ARG 12 10.832 -3.313 -9.675 100 HH12 ARG 12 2HH2 ARG 12 11.825 -2.472 -10.818 101 HH21 ARG 12 1HH1 ARG 12 12.117 0.380 -8.865 102 HH22 ARG 12 2HH1 ARG 12 12.553 -0.380 -10.359 103 H ARG 13 H ARG 13 5.780 -3.397 -3.879 104 HA ARG 13 HA ARG 13 5.375 -6.342 -3.559 105 HB2 ARG 13 2HB ARG 13 5.379 -4.519 -1.422 106 HB3 ARG 13 3HB ARG 13 3.667 -4.745 -1.762 107 HG2 ARG 13 2HG ARG 13 4.249 -6.443 -0.192 108 HG3 ARG 13 3HG ARG 13 4.137 -7.256 -1.749 109 HD2 ARG 13 2HD ARG 13 6.820 -6.385 -1.600 110 HD3 ARG 13 3HD ARG 13 6.457 -7.002 0.008 111 HE ARG 13 HE ARG 13 6.445 -8.567 -2.505 112 HH11 ARG 13 1HH2 ARG 13 5.723 -8.348 0.874 113 HH12 ARG 13 2HH2 ARG 13 5.734 -10.063 1.112 114 HH21 ARG 13 1HH1 ARG 13 6.447 -10.794 -2.200 115 HH22 ARG 13 2HH1 ARG 13 6.141 -11.445 -0.624 116 H GLU 14 H GLU 14 3.273 -7.053 -4.078 117 HA GLU 14 HA GLU 14 1.471 -5.069 -5.412 118 HB2 GLU 14 2HB GLU 14 2.454 -7.715 -6.522 119 HB3 GLU 14 3HB GLU 14 1.103 -6.814 -7.201 120 HG2 GLU 14 2HG GLU 14 2.554 -4.892 -7.626 121 HG3 GLU 14 3HG GLU 14 3.912 -5.727 -6.872 122 H ALA 15 H ALA 15 -0.742 -5.641 -5.271 123 HA ALA 15 HA ALA 15 -1.448 -8.183 -3.900 124 HB1 ALA 15 3HB ALA 15 -2.875 -6.897 -2.268 125 HB2 ALA 15 1HB ALA 15 -2.092 -5.417 -2.829 126 HB3 ALA 15 2HB ALA 15 -1.141 -6.669 -2.030 127 H HIS 16 H HIS 16 -3.515 -8.875 -4.442 128 HA HIS 16 HA HIS 16 -4.903 -7.285 -6.558 129 HB2 HIS 16 2HB HIS 16 -4.319 -9.608 -7.127 130 HB3 HIS 16 3HB HIS 16 -5.201 -10.185 -5.714 131 HD1 HIS 16 HD1 HIS 16 -5.893 -8.107 -8.838 132 HD2 HIS 16 HD2 HIS 16 -7.853 -10.722 -6.250 133 HE1 HIS 16 HE1 HIS 16 -8.214 -8.455 -9.793 134 H LEU 17 H LEU 17 -6.528 -6.032 -5.786 135 HA LEU 17 HA LEU 17 -8.083 -6.989 -3.401 136 HB2 LEU 17 2HB LEU 17 -7.675 -4.181 -4.471 137 HB3 LEU 17 3HB LEU 17 -8.679 -4.606 -3.086 138 HG LEU 17 HG LEU 17 -6.391 -5.821 -2.297 139 HD11 LEU 17 1HD1 LEU 17 -5.116 -5.175 -4.300 140 HD12 LEU 17 2HD1 LEU 17 -4.458 -4.381 -2.872 141 HD13 LEU 17 3HD1 LEU 17 -5.474 -3.477 -3.994 142 HD21 LEU 17 3HD2 LEU 17 -5.870 -3.762 -1.006 143 HD22 LEU 17 1HD2 LEU 17 -7.593 -4.138 -0.990 144 HD23 LEU 17 2HD2 LEU 17 -6.980 -2.856 -2.034 145 H ALA 18 H ALA 18 -10.210 -7.379 -3.654 146 HA ALA 18 HA ALA 18 -11.370 -7.146 -6.347 147 HB1 ALA 18 3HB ALA 18 -12.652 -8.154 -3.793 148 HB2 ALA 18 1HB ALA 18 -11.692 -9.164 -4.874 149 HB3 ALA 18 2HB ALA 18 -13.202 -8.452 -5.442 150 H ALA 19 H ALA 19 -11.180 -4.662 -6.085 151 HA ALA 19 HA ALA 19 -13.797 -3.591 -5.680 152 HB1 ALA 19 3HB ALA 19 -13.603 -3.618 -3.355 153 HB2 ALA 19 1HB ALA 19 -12.940 -2.022 -3.710 154 HB3 ALA 19 2HB ALA 19 -11.858 -3.378 -3.400 155 HA PRO 20 HA PRO 20 -11.913 -0.488 -8.224 156 HB2 PRO 20 2HB PRO 20 -13.496 1.711 -7.637 157 HB3 PRO 20 3HB PRO 20 -14.008 0.373 -8.685 158 HG2 PRO 20 2HG PRO 20 -14.634 0.869 -5.806 159 HG3 PRO 20 3HG PRO 20 -15.690 0.277 -7.102 160 HD2 PRO 20 2HD PRO 20 -14.597 -1.398 -5.263 161 HD3 PRO 20 3HD PRO 20 -14.893 -1.904 -6.940 162 HA PRO 21 HA PRO 21 -8.985 1.888 -5.912 163 HB2 PRO 21 2HB PRO 21 -8.825 4.238 -7.400 164 HB3 PRO 21 3HB PRO 21 -8.024 2.718 -7.839 165 HG2 PRO 21 2HG PRO 21 -10.579 3.873 -8.863 166 HG3 PRO 21 3HG PRO 21 -9.304 3.002 -9.736 167 HD2 PRO 21 2HD PRO 21 -11.635 1.798 -9.025 168 HD3 PRO 21 3HD PRO 21 -10.096 0.910 -9.081 169 H ALA 22 H ALA 22 -12.067 3.372 -6.650 170 HA ALA 22 HA ALA 22 -11.873 5.654 -4.933 171 HB1 ALA 22 3HB ALA 22 -14.334 5.674 -5.035 172 HB2 ALA 22 1HB ALA 22 -14.326 4.032 -5.678 173 HB3 ALA 22 2HB ALA 22 -13.659 5.357 -6.633 174 H ALA 23 H ALA 23 -13.021 2.335 -4.361 175 HA ALA 23 HA ALA 23 -13.807 2.772 -1.635 176 HB1 ALA 23 3HB ALA 23 -14.613 0.814 -2.797 177 HB2 ALA 23 1HB ALA 23 -13.591 0.256 -1.471 178 HB3 ALA 23 2HB ALA 23 -12.967 0.270 -3.121 179 H VAL 24 H VAL 24 -10.786 1.522 -3.070 180 HA VAL 24 HA VAL 24 -9.438 1.095 -0.579 181 HB VAL 24 HB VAL 24 -8.347 1.729 -3.338 182 HG11 VAL 24 1HG1 VAL 24 -7.002 0.892 -0.767 183 HG12 VAL 24 2HG1 VAL 24 -6.590 2.239 -1.827 184 HG13 VAL 24 3HG1 VAL 24 -6.270 0.583 -2.340 185 HG21 VAL 24 3HG2 VAL 24 -9.662 -0.352 -3.208 186 HG22 VAL 24 1HG2 VAL 24 -8.702 -0.880 -1.828 187 HG23 VAL 24 2HG2 VAL 24 -7.949 -0.719 -3.416 188 H PHE 25 H PHE 25 -9.449 3.854 -2.823 189 HA PHE 25 HA PHE 25 -7.686 5.524 -1.330 190 HB2 PHE 25 2HB PHE 25 -8.336 5.973 -3.674 191 HB3 PHE 25 3HB PHE 25 -9.984 6.318 -3.147 192 HD1 PHE 25 HD2 PHE 25 -6.437 7.336 -2.488 193 HD2 PHE 25 HD1 PHE 25 -10.565 8.519 -2.570 194 HE1 PHE 25 HE2 PHE 25 -5.776 9.678 -2.003 195 HE2 PHE 25 HE1 PHE 25 -9.905 10.857 -2.085 196 HZ PHE 25 HZ PHE 25 -7.512 11.438 -1.803 197 H ALA 26 H ALA 26 -11.224 5.195 -1.267 198 HA ALA 26 HA ALA 26 -11.814 7.268 0.554 199 HB1 ALA 26 3HB ALA 26 -13.839 5.945 1.109 200 HB2 ALA 26 1HB ALA 26 -13.134 4.550 0.295 201 HB3 ALA 26 2HB ALA 26 -13.551 5.991 -0.631 202 H LEU 27 H LEU 27 -10.855 3.900 1.212 203 HA LEU 27 HA LEU 27 -11.103 4.054 4.056 204 HB2 LEU 27 2HB LEU 27 -9.329 2.358 2.282 205 HB3 LEU 27 3HB LEU 27 -9.466 2.121 4.020 206 HG LEU 27 HG LEU 27 -11.854 2.110 2.152 207 HD11 LEU 27 1HD1 LEU 27 -11.740 -0.374 2.360 208 HD12 LEU 27 2HD1 LEU 27 -10.188 -0.205 3.180 209 HD13 LEU 27 3HD1 LEU 27 -10.357 0.301 1.498 210 HD21 LEU 27 3HD2 LEU 27 -12.682 0.654 4.206 211 HD22 LEU 27 1HD2 LEU 27 -12.701 2.411 4.319 212 HD23 LEU 27 2HD2 LEU 27 -11.401 1.493 5.074 213 H MET 28 H MET 28 -8.355 4.705 1.889 214 HA MET 28 HA MET 28 -6.484 5.290 3.993 215 HB2 MET 28 2HB MET 28 -6.578 6.122 1.081 216 HB3 MET 28 3HB MET 28 -5.221 6.478 2.151 217 HG2 MET 28 2HG MET 28 -4.943 4.064 2.597 218 HG3 MET 28 3HG MET 28 -6.286 3.712 1.508 219 HE1 MET 28 3HE MET 28 -5.069 2.181 -0.042 220 HE2 MET 28 1HE MET 28 -3.678 2.258 1.048 221 HE3 MET 28 2HE MET 28 -3.452 2.449 -0.689 222 H THR 29 H THR 29 -8.737 7.308 2.130 223 HA THR 29 HA THR 29 -7.818 9.765 3.429 224 HB THR 29 HB THR 29 -10.412 9.480 1.906 225 HG1 THR 29 HG1 THR 29 -9.176 8.658 0.402 226 HG21 THR 29 3HG2 THR 29 -8.330 11.669 2.166 227 HG22 THR 29 1HG2 THR 29 -9.924 11.651 2.923 228 HG23 THR 29 2HG2 THR 29 -9.781 11.773 1.168 229 H ASP 30 H ASP 30 -9.537 7.218 4.544 230 HA ASP 30 HA ASP 30 -11.259 8.912 6.344 231 HB2 ASP 30 2HB ASP 30 -11.669 6.152 5.189 232 HB3 ASP 30 3HB ASP 30 -12.562 6.709 6.605 233 HA PRO 31 HA PRO 31 -7.798 7.137 8.902 234 HB2 PRO 31 2HB PRO 31 -8.901 9.289 10.678 235 HB3 PRO 31 3HB PRO 31 -7.211 8.898 10.298 236 HG2 PRO 31 2HG PRO 31 -8.410 11.010 9.202 237 HG3 PRO 31 3HG PRO 31 -7.271 10.017 8.273 238 HD2 PRO 31 2HD PRO 31 -10.261 10.100 8.111 239 HD3 PRO 31 3HD PRO 31 -9.065 9.832 6.824 240 H GLU 32 H GLU 32 -11.097 8.001 9.875 241 HA GLU 32 HA GLU 32 -11.179 6.379 12.240 242 HB2 GLU 32 2HB GLU 32 -12.790 8.225 11.637 243 HB3 GLU 32 3HB GLU 32 -13.494 7.140 10.439 244 HG2 GLU 32 2HG GLU 32 -14.834 6.944 12.421 245 HG3 GLU 32 3HG GLU 32 -13.862 5.477 12.320 246 H LYS 33 H LYS 33 -12.100 5.749 8.862 247 HA LYS 33 HA LYS 33 -13.130 3.113 9.327 248 HB2 LYS 33 2HB LYS 33 -11.998 4.431 6.847 249 HB3 LYS 33 3HB LYS 33 -12.691 2.809 6.843 250 HG2 LYS 33 2HG LYS 33 -14.814 3.716 7.731 251 HG3 LYS 33 3HG LYS 33 -14.122 5.339 7.708 252 HD2 LYS 33 2HD LYS 33 -13.761 5.109 5.252 253 HD3 LYS 33 3HD LYS 33 -14.563 3.542 5.307 254 HE2 LYS 33 2HE LYS 33 -15.844 6.136 6.216 255 HE3 LYS 33 3HE LYS 33 -16.088 5.416 4.624 256 HZ1 LYS 33 3HZ LYS 33 -16.487 3.654 6.898 257 HZ2 LYS 33 1HZ LYS 33 -17.370 3.784 5.457 258 HZ3 LYS 33 2HZ LYS 33 -17.634 4.894 6.715 259 H ILE 34 H ILE 34 -9.869 4.333 8.791 260 HA ILE 34 HA ILE 34 -8.608 1.844 8.196 261 HB ILE 34 HB ILE 34 -7.536 4.315 9.583 262 HG12 ILE 34 2HG1 ILE 34 -7.187 3.292 6.746 263 HG13 ILE 34 3HG1 ILE 34 -8.339 4.539 7.214 264 HG21 ILE 34 1HG2 ILE 34 -5.289 3.321 8.864 265 HG22 ILE 34 2HG2 ILE 34 -6.151 1.806 8.600 266 HG23 ILE 34 3HG2 ILE 34 -6.082 2.512 10.213 267 HD11 ILE 34 3HD1 ILE 34 -5.364 4.682 7.013 268 HD12 ILE 34 1HD1 ILE 34 -6.128 5.635 8.286 269 HD13 ILE 34 2HD1 ILE 34 -6.576 5.894 6.602 270 H LEU 35 H LEU 35 -9.251 3.455 11.298 271 HA LEU 35 HA LEU 35 -7.901 1.619 12.978 272 HB2 LEU 35 2HB LEU 35 -10.484 3.089 13.573 273 HB3 LEU 35 3HB LEU 35 -9.346 2.454 14.763 274 HG LEU 35 HG LEU 35 -8.710 4.590 12.702 275 HD11 LEU 35 1HD1 LEU 35 -9.295 4.717 15.671 276 HD12 LEU 35 2HD1 LEU 35 -10.184 5.507 14.370 277 HD13 LEU 35 3HD1 LEU 35 -8.551 6.037 14.771 278 HD21 LEU 35 3HD2 LEU 35 -6.685 4.811 14.378 279 HD22 LEU 35 1HD2 LEU 35 -6.649 3.551 13.148 280 HD23 LEU 35 2HD2 LEU 35 -7.098 3.151 14.808 281 H ARG 36 H ARG 36 -10.632 1.113 11.012 282 HA ARG 36 HA ARG 36 -12.051 -0.824 12.586 283 HB2 ARG 36 2HB ARG 36 -12.970 0.269 10.541 284 HB3 ARG 36 3HB ARG 36 -11.826 -0.657 9.566 285 HG2 ARG 36 2HG ARG 36 -12.813 -2.758 10.390 286 HG3 ARG 36 3HG ARG 36 -13.948 -1.840 11.380 287 HD2 ARG 36 2HD ARG 36 -15.065 -2.490 9.320 288 HD3 ARG 36 3HD ARG 36 -14.803 -0.746 9.296 289 HE ARG 36 HE ARG 36 -12.583 -2.050 8.043 290 HH11 ARG 36 1HH2 ARG 36 -15.934 -1.327 7.662 291 HH12 ARG 36 2HH2 ARG 36 -15.863 -1.286 5.931 292 HH21 ARG 36 1HH1 ARG 36 -12.472 -2.000 5.787 293 HH22 ARG 36 2HH1 ARG 36 -13.903 -1.667 4.872 294 H TRP 37 H TRP 37 -9.428 -1.155 10.186 295 HA TRP 37 HA TRP 37 -9.128 -4.028 11.005 296 HB2 TRP 37 2HB TRP 37 -7.861 -4.257 8.853 297 HB3 TRP 37 3HB TRP 37 -9.553 -3.817 8.639 298 HD1 TRP 37 HD1 TRP 37 -10.060 -1.187 8.111 299 HE1 TRP 37 HE1 TRP 37 -8.640 0.529 6.812 300 HE3 TRP 37 HE3 TRP 37 -5.512 -3.505 8.264 301 HZ2 TRP 37 HZ2 TRP 37 -5.934 0.874 5.951 302 HZ3 TRP 37 HZ3 TRP 37 -3.534 -2.463 7.197 303 HH2 TRP 37 HH2 TRP 37 -3.738 -0.280 6.042 304 H MET 38 H MET 38 -8.106 -1.985 12.666 305 HA MET 38 HA MET 38 -5.239 -2.715 12.625 306 HB2 MET 38 2HB MET 38 -5.479 -0.545 11.331 307 HB3 MET 38 3HB MET 38 -6.080 0.187 12.817 308 HG2 MET 38 2HG MET 38 -3.742 0.657 12.771 309 HG3 MET 38 3HG MET 38 -3.944 -0.645 13.939 310 HE1 MET 38 3HE MET 38 -2.329 0.502 10.630 311 HE2 MET 38 1HE MET 38 -0.945 -0.586 10.814 312 HE3 MET 38 2HE MET 38 -1.432 0.459 12.146 313 H GLY 39 H GLY 39 -7.581 -0.538 14.243 314 HA2 GLY 39 2HA GLY 39 -8.307 -0.622 16.500 315 HA3 GLY 39 3HA GLY 39 -7.239 -2.000 16.765 316 H THR 40 H THR 40 -5.703 0.623 15.219 317 HA THR 40 HA THR 40 -4.471 1.498 17.808 318 HB THR 40 HB THR 40 -3.231 1.313 15.046 319 HG1 THR 40 HG1 THR 40 -1.858 -0.167 16.308 320 HG21 THR 40 3HG2 THR 40 -2.263 3.199 16.105 321 HG22 THR 40 1HG2 THR 40 -1.136 1.881 16.418 322 HG23 THR 40 2HG2 THR 40 -2.249 2.412 17.681 323 H GLU 41 H GLU 41 -5.407 3.380 18.242 324 HA GLU 41 HA GLU 41 -6.744 5.208 16.680 325 HB2 GLU 41 2HB GLU 41 -4.825 5.839 18.943 326 HB3 GLU 41 3HB GLU 41 -6.002 6.974 18.288 327 HG2 GLU 41 2HG GLU 41 -7.170 6.079 20.105 328 HG3 GLU 41 3HG GLU 41 -7.740 5.064 18.783 329 H ALA 42 H ALA 42 -6.138 7.206 15.608 330 HA ALA 42 HA ALA 42 -3.291 7.612 14.946 331 HB1 ALA 42 3HB ALA 42 -5.312 7.136 12.742 332 HB2 ALA 42 1HB ALA 42 -4.174 5.912 13.303 333 HB3 ALA 42 2HB ALA 42 -3.578 7.396 12.559 334 H GLU 43 H GLU 43 -2.902 9.686 13.999 335 HA GLU 43 HA GLU 43 -4.917 11.695 14.724 336 HB2 GLU 43 2HB GLU 43 -2.126 11.894 13.566 337 HB3 GLU 43 3HB GLU 43 -3.122 13.296 13.958 338 HG2 GLU 43 2HG GLU 43 -3.258 12.579 16.295 339 HG3 GLU 43 3HG GLU 43 -2.328 11.127 15.922 340 H VAL 44 H VAL 44 -5.499 13.425 13.123 341 HA VAL 44 HA VAL 44 -5.577 12.431 10.296 342 HB VAL 44 HB VAL 44 -7.765 11.976 11.208 343 HG11 VAL 44 1HG1 VAL 44 -7.566 13.462 13.183 344 HG12 VAL 44 2HG1 VAL 44 -9.088 13.708 12.327 345 HG13 VAL 44 3HG1 VAL 44 -7.770 14.864 12.132 346 HG21 VAL 44 3HG2 VAL 44 -9.106 13.231 9.691 347 HG22 VAL 44 1HG2 VAL 44 -7.509 13.182 8.941 348 HG23 VAL 44 2HG2 VAL 44 -8.042 14.634 9.789 349 H GLU 45 H GLU 45 -5.240 14.017 8.764 350 HA GLU 45 HA GLU 45 -4.476 16.691 9.814 351 HB2 GLU 45 2HB GLU 45 -3.956 15.499 7.071 352 HB3 GLU 45 3HB GLU 45 -3.204 16.942 7.757 353 HG2 GLU 45 2HG GLU 45 -2.897 14.091 8.744 354 HG3 GLU 45 3HG GLU 45 -1.656 15.081 7.978 355 HA PRO 46 HA PRO 46 -8.051 18.832 8.213 356 HB2 PRO 46 2HB PRO 46 -6.060 20.594 6.807 357 HB3 PRO 46 3HB PRO 46 -7.454 21.049 7.808 358 HG2 PRO 46 2HG PRO 46 -4.949 21.165 8.742 359 HG3 PRO 46 3HG PRO 46 -6.316 20.715 9.778 360 HD2 PRO 46 2HD PRO 46 -4.136 18.989 8.714 361 HD3 PRO 46 3HD PRO 46 -5.163 18.774 10.151 362 H GLU 47 H GLU 47 -5.395 18.148 5.973 363 HA GLU 47 HA GLU 47 -6.944 16.778 4.062 364 HB2 GLU 47 2HB GLU 47 -7.281 19.654 3.903 365 HB3 GLU 47 3HB GLU 47 -6.445 19.112 2.453 366 HG2 GLU 47 2HG GLU 47 -9.014 17.878 3.494 367 HG3 GLU 47 3HG GLU 47 -8.938 19.096 2.223 368 HA PRO 48 HA PRO 48 -2.680 17.802 2.190 369 HB2 PRO 48 2HB PRO 48 -1.070 19.684 3.280 370 HB3 PRO 48 3HB PRO 48 -2.395 20.109 2.176 371 HG2 PRO 48 2HG PRO 48 -2.293 20.265 5.158 372 HG3 PRO 48 3HG PRO 48 -2.983 21.410 3.991 373 HD2 PRO 48 2HD PRO 48 -4.474 19.564 5.410 374 HD3 PRO 48 3HD PRO 48 -4.990 20.263 3.863 375 H GLY 49 H GLY 49 -0.756 16.662 2.542 376 HA2 GLY 49 2HA GLY 49 0.925 15.550 3.773 377 HA3 GLY 49 3HA GLY 49 0.270 16.238 5.258 378 H GLY 50 H GLY 50 0.155 13.550 3.071 379 HA2 GLY 50 2HA GLY 50 -2.184 12.209 3.821 380 HA3 GLY 50 3HA GLY 50 -0.696 11.382 3.367 381 H LEU 51 H LEU 51 -2.547 10.484 5.331 382 HA LEU 51 HA LEU 51 -2.012 11.031 8.013 383 HB2 LEU 51 2HB LEU 51 -2.757 8.504 6.552 384 HB3 LEU 51 3HB LEU 51 -2.472 8.455 8.289 385 HG LEU 51 HG LEU 51 -4.877 8.797 7.665 386 HD11 LEU 51 1HD1 LEU 51 -3.597 9.804 9.784 387 HD12 LEU 51 2HD1 LEU 51 -5.283 10.190 9.468 388 HD13 LEU 51 3HD1 LEU 51 -4.025 11.332 9.019 389 HD21 LEU 51 3HD2 LEU 51 -3.962 11.539 6.754 390 HD22 LEU 51 1HD2 LEU 51 -5.592 10.872 6.672 391 HD23 LEU 51 2HD2 LEU 51 -4.320 10.216 5.643 392 H TYR 52 H TYR 52 -0.914 7.854 7.347 393 HA TYR 52 HA TYR 52 1.113 6.777 7.798 394 HB2 TYR 52 2HB TYR 52 1.857 8.284 5.901 395 HB3 TYR 52 3HB TYR 52 2.414 9.430 7.119 396 HD1 TYR 52 HD2 TYR 52 2.793 5.923 5.922 397 HD2 TYR 52 HD1 TYR 52 4.475 9.112 8.257 398 HE1 TYR 52 HE2 TYR 52 4.891 4.626 6.182 399 HE2 TYR 52 HE1 TYR 52 6.573 7.815 8.517 400 HH TYR 52 HH TYR 52 7.587 5.872 8.150 401 H LEU 53 H LEU 53 -0.212 9.020 9.684 402 HA LEU 53 HA LEU 53 2.023 9.064 11.690 403 HB2 LEU 53 2HB LEU 53 -0.387 10.862 11.346 404 HB3 LEU 53 3HB LEU 53 0.692 10.935 12.734 405 HG LEU 53 HG LEU 53 1.646 11.211 9.870 406 HD11 LEU 53 1HD1 LEU 53 1.704 13.633 10.281 407 HD12 LEU 53 2HD1 LEU 53 1.016 13.386 11.885 408 HD13 LEU 53 3HD1 LEU 53 0.058 13.022 10.450 409 HD21 LEU 53 3HD2 LEU 53 2.909 11.496 12.598 410 HD22 LEU 53 1HD2 LEU 53 3.527 12.450 11.253 411 HD23 LEU 53 2HD2 LEU 53 3.537 10.696 11.159 412 H VAL 54 H VAL 54 1.570 8.463 13.827 413 HA VAL 54 HA VAL 54 -1.084 7.183 14.340 414 HB VAL 54 HB VAL 54 1.635 5.978 14.925 415 HG11 VAL 54 1HG1 VAL 54 0.230 5.321 16.711 416 HG12 VAL 54 2HG1 VAL 54 0.093 3.992 15.560 417 HG13 VAL 54 3HG1 VAL 54 -1.187 5.203 15.668 418 HG21 VAL 54 3HG2 VAL 54 0.946 5.824 12.554 419 HG22 VAL 54 1HG2 VAL 54 -0.597 5.127 13.049 420 HG23 VAL 54 2HG2 VAL 54 0.902 4.238 13.326 421 H ASN 55 H ASN 55 -1.571 6.987 16.625 422 HA ASN 55 HA ASN 55 -0.567 9.269 18.160 423 HB2 ASN 55 2HB ASN 55 -2.626 7.123 18.706 424 HB3 ASN 55 3HB ASN 55 -2.206 8.361 19.891 425 HD21 ASN 55 1HD2 ASN 55 -4.497 7.721 17.626 426 HD22 ASN 55 2HD2 ASN 55 -4.882 9.299 17.134 427 H VAL 56 H VAL 56 -0.516 8.457 20.729 428 HA VAL 56 HA VAL 56 1.234 7.820 22.200 429 HB VAL 56 HB VAL 56 1.157 5.313 22.514 430 HG11 VAL 56 1HG1 VAL 56 -0.376 6.600 23.789 431 HG12 VAL 56 2HG1 VAL 56 -1.368 5.360 23.023 432 HG13 VAL 56 3HG1 VAL 56 -1.347 6.998 22.372 433 HG21 VAL 56 3HG2 VAL 56 -0.926 5.450 20.311 434 HG22 VAL 56 1HG2 VAL 56 -0.394 4.017 21.188 435 HG23 VAL 56 2HG2 VAL 56 0.707 4.824 20.073 436 H THR 57 H THR 57 2.276 8.477 19.633 437 HA THR 57 HA THR 57 4.472 6.478 19.242 438 HB THR 57 HB THR 57 3.592 8.797 17.489 439 HG1 THR 57 HG1 THR 57 2.985 6.906 16.147 440 HG21 THR 57 3HG2 THR 57 5.867 8.412 17.004 441 HG22 THR 57 1HG2 THR 57 5.012 7.440 15.805 442 HG23 THR 57 2HG2 THR 57 5.714 6.668 17.227 443 H GLY 58 H GLY 58 3.717 9.480 20.643 444 HA2 GLY 58 2HA GLY 58 5.155 10.887 21.892 445 HA3 GLY 58 3HA GLY 58 6.529 9.939 21.323 446 H ALA 59 H ALA 59 4.281 11.100 18.949 447 HA ALA 59 HA ALA 59 5.883 13.524 18.375 448 HB1 ALA 59 3HB ALA 59 7.096 11.671 17.235 449 HB2 ALA 59 1HB ALA 59 6.414 12.823 16.086 450 HB3 ALA 59 2HB ALA 59 5.619 11.273 16.359 451 H ARG 60 H ARG 60 4.796 14.938 16.871 452 HA ARG 60 HA ARG 60 2.048 14.141 16.029 453 HB2 ARG 60 2HB ARG 60 1.155 16.291 16.916 454 HB3 ARG 60 3HB ARG 60 1.746 15.231 18.196 455 HG2 ARG 60 2HG ARG 60 3.865 16.474 18.275 456 HG3 ARG 60 3HG ARG 60 3.320 17.515 16.959 457 HD2 ARG 60 2HD ARG 60 2.958 18.648 19.094 458 HD3 ARG 60 3HD ARG 60 1.404 18.247 18.365 459 HE ARG 60 HE ARG 60 1.035 16.652 20.096 460 HH11 ARG 60 1HH2 ARG 60 4.245 17.927 20.095 461 HH12 ARG 60 2HH2 ARG 60 4.634 17.296 21.659 462 HH21 ARG 60 1HH1 ARG 60 1.533 15.822 22.138 463 HH22 ARG 60 2HH1 ARG 60 3.102 16.105 22.814 464 H PHE 61 H PHE 61 1.223 15.443 14.300 465 HA PHE 61 HA PHE 61 1.589 16.363 12.150 466 HB2 PHE 61 2HB PHE 61 2.660 18.456 14.055 467 HB3 PHE 61 3HB PHE 61 2.385 18.753 12.339 468 HD1 PHE 61 HD1 PHE 61 0.059 18.440 11.388 469 HD2 PHE 61 HD2 PHE 61 0.856 18.461 15.608 470 HE1 PHE 61 HE1 PHE 61 -2.342 18.873 11.839 471 HE2 PHE 61 HE2 PHE 61 -1.543 18.892 16.059 472 HZ PHE 61 HZ PHE 61 -3.142 19.099 14.175 473 H ALA 62 H ALA 62 4.286 18.258 13.071 474 HA ALA 62 HA ALA 62 6.468 18.307 12.206 475 HB1 ALA 62 3HB ALA 62 6.728 16.567 13.942 476 HB2 ALA 62 1HB ALA 62 7.751 16.233 12.545 477 HB3 ALA 62 2HB ALA 62 6.251 15.334 12.773 478 H ARG 63 H ARG 63 6.217 18.841 10.039 479 HA ARG 63 HA ARG 63 6.249 16.550 8.105 480 HB2 ARG 63 2HB ARG 63 4.603 19.091 7.893 481 HB3 ARG 63 3HB ARG 63 4.822 17.936 6.580 482 HG2 ARG 63 2HG ARG 63 3.837 16.156 7.986 483 HG3 ARG 63 3HG ARG 63 3.598 17.322 9.286 484 HD2 ARG 63 2HD ARG 63 2.414 17.632 6.514 485 HD3 ARG 63 3HD ARG 63 1.546 16.930 7.880 486 HE ARG 63 HE ARG 63 2.543 19.445 8.717 487 HH11 ARG 63 1HH2 ARG 63 0.359 18.050 6.440 488 HH12 ARG 63 2HH2 ARG 63 -0.699 19.420 6.415 489 HH21 ARG 63 1HH1 ARG 63 1.175 21.241 8.699 490 HH22 ARG 63 2HH1 ARG 63 -0.237 21.228 7.694 491 H GLY 64 H GLY 64 7.524 16.947 6.246 492 HA2 GLY 64 2HA GLY 64 9.303 19.363 6.423 493 HA3 GLY 64 3HA GLY 64 9.786 17.811 5.736 494 H SER 65 H SER 65 8.904 17.192 3.670 495 HA SER 65 HA SER 65 7.473 19.339 2.162 496 HB2 SER 65 2HB SER 65 10.039 17.963 1.321 497 HB3 SER 65 3HB SER 65 9.034 18.913 0.230 498 HG SER 65 HG SER 65 10.300 19.781 2.623 499 H PHE 66 H PHE 66 5.708 18.420 1.290 500 HA PHE 66 HA PHE 66 5.332 15.557 1.175 501 HB2 PHE 66 2HB PHE 66 3.192 16.082 0.135 502 HB3 PHE 66 3HB PHE 66 3.480 17.200 1.469 503 HD1 PHE 66 HD1 PHE 66 4.173 19.541 1.031 504 HD2 PHE 66 HD2 PHE 66 3.176 16.840 -2.156 505 HE1 PHE 66 HE1 PHE 66 3.960 21.458 -0.527 506 HE2 PHE 66 HE2 PHE 66 2.965 18.757 -3.714 507 HZ PHE 66 HZ PHE 66 3.355 21.067 -2.900 508 H ARG 67 H ARG 67 5.662 14.163 -0.487 509 HA ARG 67 HA ARG 67 7.251 15.033 -2.755 510 HB2 ARG 67 2HB ARG 67 5.886 12.376 -2.218 511 HB3 ARG 67 3HB ARG 67 7.109 12.663 -3.454 512 HG2 ARG 67 2HG ARG 67 7.655 13.273 -0.548 513 HG3 ARG 67 3HG ARG 67 7.880 11.651 -1.192 514 HD2 ARG 67 2HD ARG 67 9.389 12.624 -2.953 515 HD3 ARG 67 3HD ARG 67 9.251 14.182 -2.141 516 HE ARG 67 HE ARG 67 10.159 11.936 -0.461 517 HH11 ARG 67 1HH2 ARG 67 10.911 14.688 -2.414 518 HH12 ARG 67 2HH2 ARG 67 12.472 14.922 -1.706 519 HH21 ARG 67 1HH1 ARG 67 12.202 12.232 0.460 520 HH22 ARG 67 2HH1 ARG 67 13.203 13.534 -0.087 521 H GLU 68 H GLU 68 4.360 13.002 -3.025 522 HA GLU 68 HA GLU 68 3.111 14.986 -4.851 523 HB2 GLU 68 2HB GLU 68 3.968 12.201 -5.681 524 HB3 GLU 68 3HB GLU 68 2.774 13.142 -6.574 525 HG2 GLU 68 2HG GLU 68 4.434 14.955 -6.874 526 HG3 GLU 68 3HG GLU 68 5.628 13.998 -6.000 527 H VAL 69 H VAL 69 0.924 14.922 -4.687 528 HA VAL 69 HA VAL 69 -0.351 12.568 -3.321 529 HB VAL 69 HB VAL 69 -0.851 15.538 -2.967 530 HG11 VAL 69 1HG1 VAL 69 -2.633 14.648 -1.309 531 HG12 VAL 69 2HG1 VAL 69 -2.541 13.146 -2.231 532 HG13 VAL 69 3HG1 VAL 69 -3.034 14.642 -3.024 533 HG21 VAL 69 3HG2 VAL 69 -0.003 13.291 -1.117 534 HG22 VAL 69 1HG2 VAL 69 -0.486 14.889 -0.548 535 HG23 VAL 69 2HG2 VAL 69 0.937 14.710 -1.575 536 H VAL 70 H VAL 70 -1.936 11.668 -4.538 537 HA VAL 70 HA VAL 70 -3.499 13.370 -6.388 538 HB VAL 70 HB VAL 70 -2.375 10.767 -7.432 539 HG11 VAL 70 1HG1 VAL 70 -2.729 11.949 -9.601 540 HG12 VAL 70 2HG1 VAL 70 -3.372 13.330 -8.713 541 HG13 VAL 70 3HG1 VAL 70 -4.216 11.784 -8.669 542 HG21 VAL 70 3HG2 VAL 70 -1.064 13.499 -7.562 543 HG22 VAL 70 1HG2 VAL 70 -0.589 12.112 -8.538 544 HG23 VAL 70 2HG2 VAL 70 -0.409 12.057 -6.786 545 HA PRO 71 HA PRO 71 -6.491 10.550 -4.553 546 HB2 PRO 71 2HB PRO 71 -8.737 11.339 -5.891 547 HB3 PRO 71 3HB PRO 71 -7.997 12.312 -4.604 548 HG2 PRO 71 2HG PRO 71 -7.777 12.618 -7.569 549 HG3 PRO 71 3HG PRO 71 -7.974 13.863 -6.319 550 HD2 PRO 71 2HD PRO 71 -5.552 13.278 -7.469 551 HD3 PRO 71 3HD PRO 71 -5.712 13.902 -5.811 552 H VAL 72 H VAL 72 -7.808 8.718 -5.154 553 HA VAL 72 HA VAL 72 -7.706 6.613 -6.276 554 HB VAL 72 HB VAL 72 -9.273 6.738 -8.217 555 HG11 VAL 72 1HG1 VAL 72 -11.160 7.453 -6.896 556 HG12 VAL 72 2HG1 VAL 72 -10.139 8.486 -5.897 557 HG13 VAL 72 3HG1 VAL 72 -9.992 6.733 -5.789 558 HG21 VAL 72 3HG2 VAL 72 -8.347 9.041 -8.936 559 HG22 VAL 72 1HG2 VAL 72 -9.373 9.713 -7.671 560 HG23 VAL 72 2HG2 VAL 72 -10.093 8.823 -9.012 561 H HIS 73 H HIS 73 -5.191 7.757 -6.749 562 HA HIS 73 HA HIS 73 -4.597 6.551 -9.375 563 HB2 HIS 73 2HB HIS 73 -4.076 9.462 -8.752 564 HB3 HIS 73 3HB HIS 73 -3.200 8.590 -10.011 565 HD1 HIS 73 HD1 HIS 73 -6.361 10.333 -9.347 566 HD2 HIS 73 HD2 HIS 73 -4.993 7.518 -12.098 567 HE1 HIS 73 HE1 HIS 73 -8.047 10.299 -11.234 568 H ARG 74 H ARG 74 -2.653 8.837 -7.450 569 HA ARG 74 HA ARG 74 -1.040 6.571 -6.395 570 HB2 ARG 74 2HB ARG 74 1.052 7.542 -7.223 571 HB3 ARG 74 3HB ARG 74 -0.023 7.191 -8.573 572 HG2 ARG 74 2HG ARG 74 -0.739 9.565 -8.604 573 HG3 ARG 74 3HG ARG 74 0.382 9.908 -7.286 574 HD2 ARG 74 2HD ARG 74 2.260 9.111 -8.710 575 HD3 ARG 74 3HD ARG 74 1.123 8.876 -10.038 576 HE ARG 74 HE ARG 74 1.035 11.577 -8.963 577 HH11 ARG 74 1HH2 ARG 74 2.651 9.369 -11.061 578 HH12 ARG 74 2HH2 ARG 74 3.261 10.608 -12.108 579 HH21 ARG 74 1HH1 ARG 74 1.821 13.203 -10.315 580 HH22 ARG 74 2HH1 ARG 74 2.792 12.777 -11.684 581 H LEU 75 H LEU 75 0.228 7.139 -4.582 582 HA LEU 75 HA LEU 75 -0.080 9.901 -3.504 583 HB2 LEU 75 2HB LEU 75 -1.851 8.582 -2.430 584 HB3 LEU 75 3HB LEU 75 -0.686 7.334 -1.997 585 HG LEU 75 HG LEU 75 0.499 8.883 -0.527 586 HD11 LEU 75 1HD1 LEU 75 -1.379 10.889 -1.769 587 HD12 LEU 75 2HD1 LEU 75 0.361 11.009 -1.504 588 HD13 LEU 75 3HD1 LEU 75 -0.748 11.170 -0.145 589 HD21 LEU 75 3HD2 LEU 75 -1.469 7.667 0.364 590 HD22 LEU 75 1HD2 LEU 75 -2.498 9.027 -0.085 591 HD23 LEU 75 2HD2 LEU 75 -1.259 9.232 1.151 592 H ALA 76 H ALA 76 1.803 10.622 -2.621 593 HA ALA 76 HA ALA 76 3.908 8.633 -1.858 594 HB1 ALA 76 3HB ALA 76 4.325 11.100 -3.581 595 HB2 ALA 76 1HB ALA 76 4.434 9.429 -4.134 596 HB3 ALA 76 2HB ALA 76 5.607 10.049 -2.972 597 H TYR 77 H TYR 77 4.291 9.037 0.234 598 HA TYR 77 HA TYR 77 4.392 11.888 1.184 599 HB2 TYR 77 2HB TYR 77 2.394 10.578 2.016 600 HB3 TYR 77 3HB TYR 77 3.524 9.482 2.812 601 HD1 TYR 77 HD1 TYR 77 2.808 13.143 2.481 602 HD2 TYR 77 HD2 TYR 77 4.187 9.960 5.014 603 HE1 TYR 77 HE1 TYR 77 2.989 14.726 4.381 604 HE2 TYR 77 HE2 TYR 77 4.359 11.546 6.912 605 HH TYR 77 HH TYR 77 2.928 14.144 7.267 606 H SER 78 H SER 78 6.338 12.411 2.068 607 HA SER 78 HA SER 78 8.234 10.181 2.750 608 HB2 SER 78 2HB SER 78 8.993 11.596 0.891 609 HB3 SER 78 3HB SER 78 8.787 13.034 1.886 610 HG SER 78 HG SER 78 10.964 12.133 1.794 611 H PHE 79 H PHE 79 8.470 9.936 4.912 612 HA PHE 79 HA PHE 79 9.026 12.251 6.602 613 HB2 PHE 79 2HB PHE 79 6.566 12.318 6.573 614 HB3 PHE 79 3HB PHE 79 6.508 10.632 7.090 615 HD1 PHE 79 HD2 PHE 79 7.906 13.964 8.085 616 HD2 PHE 79 HD1 PHE 79 6.511 10.114 9.385 617 HE1 PHE 79 HE2 PHE 79 8.121 14.683 10.449 618 HE2 PHE 79 HE1 PHE 79 6.725 10.835 11.748 619 HZ PHE 79 HZ PHE 79 7.532 13.118 12.279 620 H GLY 80 H GLY 80 10.409 11.584 8.206 621 HA2 GLY 80 2HA GLY 80 11.232 8.814 8.304 622 HA3 GLY 80 3HA GLY 80 11.801 10.087 9.382 623 H TRP 81 H TRP 81 11.333 7.621 10.460 624 HA TRP 81 HA TRP 81 8.615 7.492 11.575 625 HB2 TRP 81 2HB TRP 81 10.051 5.465 10.981 626 HB3 TRP 81 3HB TRP 81 11.025 5.855 12.400 627 HD1 TRP 81 HD1 TRP 81 7.320 5.194 11.519 628 HE1 TRP 81 HE1 TRP 81 6.215 4.016 13.528 629 HE3 TRP 81 HE3 TRP 81 11.234 5.189 14.800 630 HZ2 TRP 81 HZ2 TRP 81 6.900 3.180 16.175 631 HZ3 TRP 81 HZ3 TRP 81 10.981 4.195 17.057 632 HH2 TRP 81 HH2 TRP 81 8.821 3.193 17.747 633 H ASP 82 H ASP 82 8.224 7.555 13.914 634 HA ASP 82 HA ASP 82 8.367 8.639 15.987 635 HB2 ASP 82 2HB ASP 82 10.311 7.096 16.220 636 HB3 ASP 82 3HB ASP 82 11.353 8.344 15.541 637 H GLY 83 H GLY 83 11.414 9.954 14.765 638 HA2 GLY 83 2HA GLY 83 10.451 12.397 13.709 639 HA3 GLY 83 3HA GLY 83 10.712 12.644 15.436 640 H SER 84 H SER 84 12.913 10.697 15.531 641 HA SER 84 HA SER 84 15.067 12.510 14.670 642 HB2 SER 84 2HB SER 84 16.501 10.715 15.800 643 HB3 SER 84 3HB SER 84 15.356 11.560 16.840 644 HG SER 84 HG SER 84 14.028 9.815 16.799 645 H GLU 85 H GLU 85 17.114 11.027 13.939 646 HA GLU 85 HA GLU 85 16.492 10.168 11.246 647 HB2 GLU 85 2HB GLU 85 19.004 9.801 12.919 648 HB3 GLU 85 3HB GLU 85 18.895 9.511 11.182 649 HG2 GLU 85 2HG GLU 85 18.313 12.168 12.522 650 HG3 GLU 85 3HG GLU 85 19.830 11.762 11.720 651 H VAL 86 H VAL 86 15.829 8.706 14.083 652 HA VAL 86 HA VAL 86 16.783 6.018 13.682 653 HB VAL 86 HB VAL 86 15.164 5.404 15.411 654 HG11 VAL 86 1HG1 VAL 86 15.797 7.211 17.125 655 HG12 VAL 86 2HG1 VAL 86 16.644 8.012 15.802 656 HG13 VAL 86 3HG1 VAL 86 17.128 6.395 16.309 657 HG21 VAL 86 3HG2 VAL 86 14.006 8.113 14.727 658 HG22 VAL 86 1HG2 VAL 86 13.718 7.378 16.304 659 HG23 VAL 86 2HG2 VAL 86 13.182 6.558 14.839 660 H VAL 87 H VAL 87 15.853 4.325 12.592 661 HA VAL 87 HA VAL 87 13.107 4.575 11.532 662 HB VAL 87 HB VAL 87 13.986 3.936 9.208 663 HG11 VAL 87 1HG1 VAL 87 14.290 6.244 8.570 664 HG12 VAL 87 2HG1 VAL 87 14.784 6.684 10.203 665 HG13 VAL 87 3HG1 VAL 87 13.116 6.212 9.883 666 HG21 VAL 87 3HG2 VAL 87 16.281 3.357 9.882 667 HG22 VAL 87 1HG2 VAL 87 16.549 5.010 10.436 668 HG23 VAL 87 2HG2 VAL 87 16.300 4.684 8.721 669 HA PRO 88 HA PRO 88 14.570 0.366 13.009 670 HB2 PRO 88 2HB PRO 88 11.836 0.268 14.144 671 HB3 PRO 88 3HB PRO 88 13.386 -0.052 14.921 672 HG2 PRO 88 2HG PRO 88 11.892 2.213 15.349 673 HG3 PRO 88 3HG PRO 88 13.638 2.102 15.609 674 HD2 PRO 88 2HD PRO 88 12.169 3.506 13.443 675 HD3 PRO 88 3HD PRO 88 13.819 3.760 14.035 676 HA PRO 89 HA PRO 89 10.963 -1.290 10.411 677 HB2 PRO 89 2HB PRO 89 9.112 0.426 9.331 678 HB3 PRO 89 3HB PRO 89 8.935 -0.320 10.929 679 HG2 PRO 89 2HG PRO 89 9.629 2.461 10.224 680 HG3 PRO 89 3HG PRO 89 8.876 1.821 11.695 681 HD2 PRO 89 2HD PRO 89 11.600 2.579 11.376 682 HD3 PRO 89 3HD PRO 89 10.889 1.748 12.764 683 H GLY 90 H GLY 90 12.913 1.328 9.649 684 HA2 GLY 90 2HA GLY 90 14.262 1.582 7.708 685 HA3 GLY 90 3HA GLY 90 13.293 0.350 6.902 686 H SER 91 H SER 91 11.898 3.112 8.540 687 HA SER 91 HA SER 91 10.280 3.824 6.295 688 HB2 SER 91 2HB SER 91 9.424 5.514 7.665 689 HB3 SER 91 3HB SER 91 10.035 4.370 8.858 690 HG SER 91 HG SER 91 11.206 6.768 7.917 691 H SER 92 H SER 92 10.407 5.677 4.950 692 HA SER 92 HA SER 92 12.554 7.565 4.934 693 HB2 SER 92 2HB SER 92 14.132 6.016 4.187 694 HB3 SER 92 3HB SER 92 12.927 5.064 3.319 695 HG SER 92 HG SER 92 13.914 7.640 2.630 696 H LEU 93 H LEU 93 11.668 6.071 1.917 697 HA LEU 93 HA LEU 93 9.789 8.342 1.347 698 HB2 LEU 93 2HB LEU 93 11.736 8.390 -0.121 699 HB3 LEU 93 3HB LEU 93 11.524 6.685 -0.514 700 HG LEU 93 HG LEU 93 9.393 7.163 -1.623 701 HD11 LEU 93 1HD1 LEU 93 9.875 9.925 -0.509 702 HD12 LEU 93 2HD1 LEU 93 8.415 8.938 -0.427 703 HD13 LEU 93 3HD1 LEU 93 8.877 9.698 -1.947 704 HD21 LEU 93 3HD2 LEU 93 11.633 7.502 -2.807 705 HD22 LEU 93 1HD2 LEU 93 11.381 9.232 -2.570 706 HD23 LEU 93 2HD2 LEU 93 10.235 8.295 -3.536 707 H VAL 94 H VAL 94 7.711 7.723 1.281 708 HA VAL 94 HA VAL 94 7.049 4.853 0.736 709 HB VAL 94 HB VAL 94 5.317 7.069 1.877 710 HG11 VAL 94 1HG1 VAL 94 4.985 4.057 1.759 711 HG12 VAL 94 2HG1 VAL 94 4.036 5.249 0.871 712 HG13 VAL 94 3HG1 VAL 94 3.914 5.155 2.628 713 HG21 VAL 94 3HG2 VAL 94 6.969 4.917 3.232 714 HG22 VAL 94 1HG2 VAL 94 5.726 5.863 4.052 715 HG23 VAL 94 2HG2 VAL 94 7.154 6.664 3.397 716 H GLU 95 H GLU 95 6.324 4.447 -1.313 717 HA GLU 95 HA GLU 95 4.862 6.633 -2.776 718 HB2 GLU 95 2HB GLU 95 7.276 6.108 -3.570 719 HB3 GLU 95 3HB GLU 95 6.612 4.578 -4.143 720 HG2 GLU 95 2HG GLU 95 4.906 5.859 -5.448 721 HG3 GLU 95 3HG GLU 95 5.694 7.352 -4.938 722 H ILE 96 H ILE 96 2.911 5.993 -3.544 723 HA ILE 96 HA ILE 96 2.344 3.060 -3.829 724 HB ILE 96 HB ILE 96 0.575 5.165 -2.547 725 HG12 ILE 96 2HG1 ILE 96 1.695 2.584 -1.410 726 HG13 ILE 96 3HG1 ILE 96 2.446 4.161 -1.169 727 HG21 ILE 96 1HG2 ILE 96 0.049 2.284 -3.326 728 HG22 ILE 96 2HG2 ILE 96 -0.834 3.718 -3.853 729 HG23 ILE 96 3HG2 ILE 96 -0.955 3.173 -2.181 730 HD11 ILE 96 3HD1 ILE 96 0.963 3.540 0.727 731 HD12 ILE 96 1HD1 ILE 96 -0.400 3.460 -0.390 732 HD13 ILE 96 2HD1 ILE 96 0.410 4.999 -0.094 733 H ASP 97 H ASP 97 1.466 2.583 -5.779 734 HA ASP 97 HA ASP 97 0.222 4.804 -7.381 735 HB2 ASP 97 2HB ASP 97 2.091 2.593 -8.273 736 HB3 ASP 97 3HB ASP 97 1.141 3.569 -9.395 737 H LEU 98 H LEU 98 -1.692 4.277 -8.389 738 HA LEU 98 HA LEU 98 -2.782 1.528 -7.870 739 HB2 LEU 98 2HB LEU 98 -4.248 4.115 -8.468 740 HB3 LEU 98 3HB LEU 98 -4.994 2.569 -8.068 741 HG LEU 98 HG LEU 98 -3.131 4.139 -6.257 742 HD11 LEU 98 1HD1 LEU 98 -5.287 5.244 -6.464 743 HD12 LEU 98 2HD1 LEU 98 -5.208 4.443 -4.895 744 HD13 LEU 98 3HD1 LEU 98 -6.133 3.718 -6.209 745 HD21 LEU 98 3HD2 LEU 98 -4.476 1.445 -6.047 746 HD22 LEU 98 1HD2 LEU 98 -4.198 2.392 -4.584 747 HD23 LEU 98 2HD2 LEU 98 -2.836 1.911 -5.589 748 H ILE 99 H ILE 99 -3.078 0.243 -9.602 749 HA ILE 99 HA ILE 99 -3.392 1.491 -12.311 750 HB ILE 99 HB ILE 99 -1.651 -0.879 -11.576 751 HG12 ILE 99 2HG1 ILE 99 -0.916 1.758 -12.874 752 HG13 ILE 99 3HG1 ILE 99 -0.800 1.479 -11.136 753 HG21 ILE 99 1HG2 ILE 99 -2.686 -1.359 -13.685 754 HG22 ILE 99 2HG2 ILE 99 -1.076 -0.744 -14.055 755 HG23 ILE 99 3HG2 ILE 99 -2.483 0.303 -14.237 756 HD11 ILE 99 3HD1 ILE 99 0.553 -0.276 -13.199 757 HD12 ILE 99 1HD1 ILE 99 0.801 -0.294 -11.453 758 HD13 ILE 99 2HD1 ILE 99 1.350 1.083 -12.408 759 H GLU 100 H GLU 100 -5.082 0.693 -13.412 760 HA GLU 100 HA GLU 100 -6.873 -1.198 -12.173 761 HB2 GLU 100 2HB GLU 100 -6.788 -0.020 -14.962 762 HB3 GLU 100 3HB GLU 100 -8.115 -1.010 -14.355 763 HG2 GLU 100 2HG GLU 100 -7.155 1.552 -13.045 764 HG3 GLU 100 3HG GLU 100 -8.542 1.449 -14.128 765 H GLN 101 H GLN 101 -7.170 -3.362 -12.569 766 HA GLN 101 HA GLN 101 -5.742 -4.651 -14.824 767 HB2 GLN 101 2HB GLN 101 -4.118 -4.705 -12.952 768 HB3 GLN 101 3HB GLN 101 -5.323 -5.506 -11.943 769 HG2 GLN 101 2HG GLN 101 -5.391 -7.416 -13.463 770 HG3 GLN 101 3HG GLN 101 -4.288 -6.602 -14.574 771 HE21 GLN 101 1HE2 GLN 101 -2.166 -7.288 -14.339 772 HE22 GLN 101 2HE2 GLN 101 -1.471 -7.840 -12.892 773 H GLY 102 H GLY 102 -7.296 -5.818 -15.769 774 HA2 GLY 102 2HA GLY 102 -9.345 -6.967 -16.037 775 HA3 GLY 102 3HA GLY 102 -8.580 -8.057 -14.885 776 H GLY 103 H GLY 103 -10.299 -8.620 -13.603 777 HA2 GLY 103 2HA GLY 103 -12.252 -6.624 -12.701 778 HA3 GLY 103 3HA GLY 103 -12.244 -8.335 -12.280 779 H GLY 104 H GLY 104 -11.250 -5.173 -11.306 780 HA2 GLY 104 2HA GLY 104 -11.122 -5.114 -8.713 781 HA3 GLY 104 3HA GLY 104 -9.824 -6.292 -8.914 782 H THR 105 H THR 105 -8.757 -4.390 -7.700 783 HA THR 105 HA THR 105 -7.515 -2.533 -9.709 784 HB THR 105 HB THR 105 -8.180 -1.977 -6.801 785 HG1 THR 105 HG1 THR 105 -9.980 -1.793 -8.085 786 HG21 THR 105 3HG2 THR 105 -6.669 -0.428 -8.906 787 HG22 THR 105 1HG2 THR 105 -6.161 -0.830 -7.265 788 HG23 THR 105 2HG2 THR 105 -7.426 0.371 -7.527 789 H LEU 106 H LEU 106 -5.331 -2.714 -9.798 790 HA LEU 106 HA LEU 106 -3.980 -4.534 -7.906 791 HB2 LEU 106 2HB LEU 106 -3.486 -4.741 -10.308 792 HB3 LEU 106 3HB LEU 106 -2.974 -3.056 -10.362 793 HG LEU 106 HG LEU 106 -1.121 -3.534 -8.838 794 HD11 LEU 106 1HD1 LEU 106 -1.813 -5.220 -7.372 795 HD12 LEU 106 2HD1 LEU 106 -0.732 -6.114 -8.437 796 HD13 LEU 106 3HD1 LEU 106 -2.476 -6.220 -8.666 797 HD21 LEU 106 3HD2 LEU 106 -1.204 -5.648 -11.003 798 HD22 LEU 106 1HD2 LEU 106 0.223 -4.847 -10.342 799 HD23 LEU 106 2HD2 LEU 106 -0.925 -3.937 -11.325 800 H LEU 107 H LEU 107 -2.744 -3.805 -6.227 801 HA LEU 107 HA LEU 107 -2.196 -0.855 -6.066 802 HB2 LEU 107 2HB LEU 107 -3.647 -1.994 -4.281 803 HB3 LEU 107 3HB LEU 107 -2.188 -2.833 -3.773 804 HG LEU 107 HG LEU 107 -2.338 0.186 -4.009 805 HD11 LEU 107 1HD1 LEU 107 -4.024 -0.472 -2.407 806 HD12 LEU 107 2HD1 LEU 107 -2.633 0.149 -1.518 807 HD13 LEU 107 3HD1 LEU 107 -2.907 -1.590 -1.624 808 HD21 LEU 107 3HD2 LEU 107 -0.339 -1.803 -2.941 809 HD22 LEU 107 1HD2 LEU 107 -0.467 -0.234 -2.147 810 HD23 LEU 107 2HD2 LEU 107 -0.070 -0.323 -3.858 811 H ARG 108 H ARG 108 -0.129 -0.332 -6.397 812 HA ARG 108 HA ARG 108 2.011 -2.382 -5.924 813 HB2 ARG 108 2HB ARG 108 1.806 -1.511 -8.257 814 HB3 ARG 108 3HB ARG 108 2.082 0.119 -7.644 815 HG2 ARG 108 2HG ARG 108 4.284 -0.562 -6.782 816 HG3 ARG 108 3HG ARG 108 4.011 -2.205 -7.368 817 HD2 ARG 108 2HD ARG 108 3.758 -1.269 -9.681 818 HD3 ARG 108 3HD ARG 108 4.214 0.310 -9.049 819 HE ARG 108 HE ARG 108 6.013 -1.999 -9.412 820 HH11 ARG 108 1HH2 ARG 108 5.419 1.113 -8.025 821 HH12 ARG 108 2HH2 ARG 108 7.097 1.476 -7.810 822 HH21 ARG 108 1HH1 ARG 108 8.199 -1.536 -9.125 823 HH22 ARG 108 2HH1 ARG 108 8.668 -0.020 -8.429 824 H LEU 109 H LEU 109 3.251 -1.999 -4.165 825 HA LEU 109 HA LEU 109 3.425 0.808 -3.106 826 HB2 LEU 109 2HB LEU 109 2.269 -0.837 -1.619 827 HB3 LEU 109 3HB LEU 109 3.743 -1.798 -1.586 828 HG LEU 109 HG LEU 109 4.142 1.084 -0.911 829 HD11 LEU 109 1HD1 LEU 109 3.276 0.835 1.387 830 HD12 LEU 109 2HD1 LEU 109 2.613 -0.744 0.962 831 HD13 LEU 109 3HD1 LEU 109 1.983 0.713 0.195 832 HD21 LEU 109 3HD2 LEU 109 5.548 0.086 0.860 833 HD22 LEU 109 1HD2 LEU 109 5.931 -0.615 -0.711 834 HD23 LEU 109 2HD2 LEU 109 4.945 -1.517 0.440 835 H THR 110 H THR 110 5.390 1.686 -3.269 836 HA THR 110 HA THR 110 7.795 -0.108 -3.390 837 HB THR 110 HB THR 110 7.304 2.467 -4.919 838 HG1 THR 110 HG1 THR 110 6.218 0.694 -5.792 839 HG21 THR 110 3HG2 THR 110 9.632 2.307 -4.334 840 HG22 THR 110 1HG2 THR 110 9.480 1.808 -6.018 841 HG23 THR 110 2HG2 THR 110 9.675 0.594 -4.753 842 H HIS 111 H HIS 111 9.307 0.381 -1.888 843 HA HIS 111 HA HIS 111 9.260 3.097 -0.607 844 HB2 HIS 111 2HB HIS 111 8.229 1.267 0.834 845 HB3 HIS 111 3HB HIS 111 9.820 0.509 0.861 846 HD1 HIS 111 HD1 HIS 111 7.832 3.002 2.585 847 HD2 HIS 111 HD2 HIS 111 11.900 2.422 1.890 848 HE1 HIS 111 HE1 HIS 111 9.057 4.464 4.250 849 H SER 112 H SER 112 11.290 3.980 -0.275 850 HA SER 112 HA SER 112 13.682 2.238 -0.774 851 HB2 SER 112 2HB SER 112 13.024 3.440 -2.885 852 HB3 SER 112 3HB SER 112 13.283 4.962 -2.039 853 HG SER 112 HG SER 112 15.407 4.558 -1.936 854 H GLY 113 H GLY 113 15.571 2.948 0.279 855 HA2 GLY 113 2HA GLY 113 16.825 4.669 1.525 856 HA3 GLY 113 3HA GLY 113 15.293 5.308 2.108 857 H LEU 114 H LEU 114 16.522 1.962 1.981 858 HA LEU 114 HA LEU 114 15.722 1.646 4.818 859 HB2 LEU 114 2HB LEU 114 16.780 -0.485 2.953 860 HB3 LEU 114 3HB LEU 114 15.835 -0.711 4.425 861 HG LEU 114 HG LEU 114 14.886 0.560 1.838 862 HD11 LEU 114 1HD1 LEU 114 14.293 -2.036 3.270 863 HD12 LEU 114 2HD1 LEU 114 14.865 -1.809 1.617 864 HD13 LEU 114 3HD1 LEU 114 13.211 -1.371 2.044 865 HD21 LEU 114 3HD2 LEU 114 12.640 0.502 3.142 866 HD22 LEU 114 1HD2 LEU 114 13.780 1.785 3.544 867 HD23 LEU 114 2HD2 LEU 114 13.641 0.367 4.587 868 HA PRO 115 HA PRO 115 19.936 1.940 6.217 869 HB2 PRO 115 2HB PRO 115 19.827 0.326 8.463 870 HB3 PRO 115 3HB PRO 115 19.186 1.979 8.402 871 HG2 PRO 115 2HG PRO 115 17.739 -0.620 8.155 872 HG3 PRO 115 3HG PRO 115 17.258 0.865 8.998 873 HD2 PRO 115 2HD PRO 115 16.253 0.187 6.557 874 HD3 PRO 115 3HD PRO 115 16.482 1.877 7.055 875 H SER 116 H SER 116 18.617 -1.389 6.319 876 HA SER 116 HA SER 116 20.920 -2.358 4.765 877 HB2 SER 116 2HB SER 116 21.657 -3.970 6.426 878 HB3 SER 116 3HB SER 116 21.717 -2.359 7.137 879 HG SER 116 HG SER 116 19.523 -4.147 7.377 880 H ALA 117 H ALA 117 20.676 -4.776 4.396 881 HA ALA 117 HA ALA 117 18.058 -5.350 3.407 882 HB1 ALA 117 3HB ALA 117 18.938 -7.545 2.884 883 HB2 ALA 117 1HB ALA 117 20.241 -7.351 4.057 884 HB3 ALA 117 2HB ALA 117 20.219 -6.369 2.592 885 H GLU 118 H GLU 118 19.701 -6.187 6.422 886 HA GLU 118 HA GLU 118 18.014 -8.174 7.447 887 HB2 GLU 118 2HB GLU 118 19.302 -5.831 8.882 888 HB3 GLU 118 3HB GLU 118 18.582 -7.216 9.702 889 HG2 GLU 118 2HG GLU 118 20.152 -8.730 8.609 890 HG3 GLU 118 3HG GLU 118 20.828 -7.394 7.674 891 H GLN 119 H GLN 119 17.641 -4.654 7.959 892 HA GLN 119 HA GLN 119 15.030 -4.881 9.136 893 HB2 GLN 119 2HB GLN 119 16.356 -2.532 7.744 894 HB3 GLN 119 3HB GLN 119 14.900 -2.426 8.734 895 HG2 GLN 119 2HG GLN 119 17.588 -3.444 9.712 896 HG3 GLN 119 3HG GLN 119 16.962 -1.823 10.010 897 HE21 GLN 119 1HE2 GLN 119 17.370 -4.592 11.648 898 HE22 GLN 119 2HE2 GLN 119 15.976 -4.604 12.617 899 H CYS 120 H CYS 120 16.178 -4.659 5.835 900 HA CYS 120 HA CYS 120 13.715 -3.916 4.586 901 HB2 CYS 120 2HB CYS 120 16.080 -4.061 3.560 902 HB3 CYS 120 3HB CYS 120 15.746 -5.778 3.348 903 HG CYS 120 HG CYS 120 14.938 -4.487 1.195 904 H ALA 121 H ALA 121 15.097 -7.110 5.359 905 HA ALA 121 HA ALA 121 12.990 -8.655 4.208 906 HB1 ALA 121 3HB ALA 121 15.188 -9.578 4.957 907 HB2 ALA 121 1HB ALA 121 13.816 -10.482 5.599 908 HB3 ALA 121 2HB ALA 121 14.681 -9.342 6.629 909 H GLY 122 H GLY 122 13.462 -7.513 7.569 910 HA2 GLY 122 2HA GLY 122 10.951 -8.578 8.505 911 HA3 GLY 122 3HA GLY 122 11.901 -7.336 9.322 912 H HIS 123 H HIS 123 11.931 -5.410 7.250 913 HA HIS 123 HA HIS 123 9.422 -4.096 7.707 914 HB2 HIS 123 2HB HIS 123 11.587 -2.935 7.203 915 HB3 HIS 123 3HB HIS 123 11.466 -3.517 5.543 916 HD1 HIS 123 HD1 HIS 123 8.894 -1.919 7.872 917 HD2 HIS 123 HD2 HIS 123 10.495 -1.415 4.057 918 HE1 HIS 123 HE1 HIS 123 7.665 0.036 6.833 919 H GLU 124 H GLU 124 10.742 -5.864 4.929 920 HA GLU 124 HA GLU 124 8.574 -5.380 3.136 921 HB2 GLU 124 2HB GLU 124 10.780 -6.317 2.461 922 HB3 GLU 124 3HB GLU 124 10.376 -7.816 3.299 923 HG2 GLU 124 2HG GLU 124 8.438 -8.140 1.833 924 HG3 GLU 124 3HG GLU 124 8.783 -6.612 1.019 925 H GLU 125 H GLU 125 9.103 -7.870 5.597 926 HA GLU 125 HA GLU 125 6.800 -9.455 4.941 927 HB2 GLU 125 2HB GLU 125 8.715 -10.205 6.390 928 HB3 GLU 125 3HB GLU 125 8.119 -9.129 7.653 929 HG2 GLU 125 2HG GLU 125 7.242 -11.319 8.126 930 HG3 GLU 125 3HG GLU 125 5.901 -10.352 7.511 931 H GLY 126 H GLY 126 7.286 -6.619 7.009 932 HA2 GLY 126 2HA GLY 126 4.754 -6.693 8.330 933 HA3 GLY 126 3HA GLY 126 5.712 -5.235 8.068 934 H TRP 127 H TRP 127 5.760 -5.135 5.280 935 HA TRP 127 HA TRP 127 3.229 -3.944 4.691 936 HB2 TRP 127 2HB TRP 127 5.511 -4.855 2.926 937 HB3 TRP 127 3HB TRP 127 4.077 -4.056 2.278 938 HD1 TRP 127 HD1 TRP 127 7.378 -3.321 3.724 939 HE1 TRP 127 HE1 TRP 127 7.574 -0.821 4.320 940 HE3 TRP 127 HE3 TRP 127 2.477 -1.937 3.358 941 HZ2 TRP 127 HZ2 TRP 127 5.878 1.464 4.608 942 HZ3 TRP 127 HZ3 TRP 127 1.795 0.404 3.800 943 HH2 TRP 127 HH2 TRP 127 3.487 2.105 4.425 944 H ALA 128 H ALA 128 4.545 -7.158 4.012 945 HA ALA 128 HA ALA 128 2.461 -8.063 2.294 946 HB1 ALA 128 3HB ALA 128 3.171 -10.348 3.022 947 HB2 ALA 128 1HB ALA 128 4.173 -9.604 4.268 948 HB3 ALA 128 2HB ALA 128 4.534 -9.329 2.564 949 H HIS 129 H HIS 129 2.754 -8.036 5.827 950 HA HIS 129 HA HIS 129 0.344 -9.508 6.350 951 HB2 HIS 129 2HB HIS 129 2.135 -9.118 8.034 952 HB3 HIS 129 3HB HIS 129 1.701 -7.408 8.066 953 HD1 HIS 129 HD1 HIS 129 -0.199 -6.738 9.565 954 HD2 HIS 129 HD2 HIS 129 -0.066 -10.858 8.957 955 HE1 HIS 129 HE1 HIS 129 -1.925 -7.747 11.118 956 H TYR 130 H TYR 130 1.006 -5.994 6.268 957 HA TYR 130 HA TYR 130 -1.686 -5.184 6.794 958 HB2 TYR 130 2HB TYR 130 0.556 -3.786 5.314 959 HB3 TYR 130 3HB TYR 130 -0.972 -3.013 5.731 960 HD1 TYR 130 HD2 TYR 130 -1.696 -3.408 8.305 961 HD2 TYR 130 HD1 TYR 130 2.333 -3.487 6.810 962 HE1 TYR 130 HE2 TYR 130 -0.840 -2.915 10.578 963 HE2 TYR 130 HE1 TYR 130 3.185 -2.991 9.083 964 HH TYR 130 HH TYR 130 2.478 -2.081 11.150 965 H LEU 131 H LEU 131 0.070 -5.697 3.756 966 HA LEU 131 HA LEU 131 -2.045 -4.934 2.000 967 HB2 LEU 131 2HB LEU 131 0.283 -6.839 1.671 968 HB3 LEU 131 3HB LEU 131 -0.782 -6.393 0.343 969 HG LEU 131 HG LEU 131 0.645 -4.319 2.031 970 HD11 LEU 131 1HD1 LEU 131 1.587 -5.532 -0.584 971 HD12 LEU 131 2HD1 LEU 131 2.301 -5.862 0.993 972 HD13 LEU 131 3HD1 LEU 131 2.383 -4.238 0.312 973 HD21 LEU 131 3HD2 LEU 131 -1.054 -3.256 0.768 974 HD22 LEU 131 1HD2 LEU 131 -0.828 -4.326 -0.614 975 HD23 LEU 131 2HD2 LEU 131 0.364 -3.079 -0.259 976 H GLY 132 H GLY 132 -1.185 -8.091 3.423 977 HA2 GLY 132 2HA GLY 132 -3.175 -9.598 2.012 978 HA3 GLY 132 3HA GLY 132 -2.429 -10.082 3.535 979 H ARG 133 H ARG 133 -3.232 -8.061 5.241 980 HA ARG 133 HA ARG 133 -5.931 -8.822 5.846 981 HB2 ARG 133 2HB ARG 133 -4.310 -8.014 7.554 982 HB3 ARG 133 3HB ARG 133 -4.392 -6.404 6.838 983 HG2 ARG 133 2HG ARG 133 -6.784 -6.271 7.322 984 HG3 ARG 133 3HG ARG 133 -6.766 -7.920 7.949 985 HD2 ARG 133 2HD ARG 133 -5.084 -5.677 9.094 986 HD3 ARG 133 3HD ARG 133 -6.660 -6.139 9.736 987 HE ARG 133 HE ARG 133 -5.056 -8.481 9.598 988 HH11 ARG 133 1HH2 ARG 133 -5.235 -5.430 11.204 989 HH12 ARG 133 2HH2 ARG 133 -4.472 -6.000 12.650 990 HH21 ARG 133 1HH1 ARG 133 -4.064 -9.238 11.480 991 HH22 ARG 133 2HH1 ARG 133 -3.812 -8.154 12.807 992 H LEU 134 H LEU 134 -4.548 -5.920 4.325 993 HA LEU 134 HA LEU 134 -6.990 -4.468 4.106 994 HB2 LEU 134 2HB LEU 134 -4.792 -3.418 3.737 995 HB3 LEU 134 3HB LEU 134 -4.552 -4.407 2.299 996 HG LEU 134 HG LEU 134 -6.483 -3.350 1.215 997 HD11 LEU 134 1HD1 LEU 134 -8.024 -2.787 2.886 998 HD12 LEU 134 2HD1 LEU 134 -7.353 -1.209 2.489 999 HD13 LEU 134 3HD1 LEU 134 -6.794 -2.069 3.925 1000 HD21 LEU 134 3HD2 LEU 134 -4.649 -1.263 2.428 1001 HD22 LEU 134 1HD2 LEU 134 -5.515 -1.145 0.897 1002 HD23 LEU 134 2HD2 LEU 134 -4.206 -2.313 1.082 1003 H THR 135 H THR 135 -5.460 -6.837 1.949 1004 HA THR 135 HA THR 135 -7.255 -6.585 -0.239 1005 HB THR 135 HB THR 135 -5.817 -9.049 0.800 1006 HG1 THR 135 HG1 THR 135 -5.041 -7.618 -1.450 1007 HG21 THR 135 3HG2 THR 135 -6.050 -9.715 -1.671 1008 HG22 THR 135 1HG2 THR 135 -7.291 -8.468 -1.769 1009 HG23 THR 135 2HG2 THR 135 -7.501 -9.836 -0.677 1010 H GLU 136 H GLU 136 -7.426 -8.616 2.675 1011 HA GLU 136 HA GLU 136 -9.879 -9.926 1.992 1012 HB2 GLU 136 2HB GLU 136 -8.607 -9.312 4.674 1013 HB3 GLU 136 3HB GLU 136 -10.017 -10.353 4.472 1014 HG2 GLU 136 2HG GLU 136 -8.745 -11.863 3.039 1015 HG3 GLU 136 3HG GLU 136 -7.340 -10.797 3.119 1016 H VAL 137 H VAL 137 -9.207 -6.949 3.838 1017 HA VAL 137 HA VAL 137 -11.928 -6.428 4.571 1018 HB VAL 137 HB VAL 137 -9.586 -4.542 4.171 1019 HG11 VAL 137 1HG1 VAL 137 -12.354 -4.121 5.312 1020 HG12 VAL 137 2HG1 VAL 137 -11.552 -3.192 4.046 1021 HG13 VAL 137 3HG1 VAL 137 -11.000 -3.066 5.716 1022 HG21 VAL 137 3HG2 VAL 137 -9.499 -6.405 5.940 1023 HG22 VAL 137 1HG2 VAL 137 -10.810 -5.545 6.746 1024 HG23 VAL 137 2HG2 VAL 137 -9.248 -4.759 6.521 1025 H ALA 138 H ALA 138 -9.973 -5.300 1.808 1026 HA ALA 138 HA ALA 138 -12.011 -3.671 0.641 1027 HB1 ALA 138 3HB ALA 138 -10.681 -3.896 -1.448 1028 HB2 ALA 138 1HB ALA 138 -9.721 -5.159 -0.680 1029 HB3 ALA 138 2HB ALA 138 -9.667 -3.510 -0.060 1030 H ALA 139 H ALA 139 -11.398 -7.113 0.558 1031 HA ALA 139 HA ALA 139 -13.317 -7.590 -1.613 1032 HB1 ALA 139 3HB ALA 139 -12.138 -9.631 0.284 1033 HB2 ALA 139 1HB ALA 139 -11.264 -9.027 -1.124 1034 HB3 ALA 139 2HB ALA 139 -12.777 -9.908 -1.335 1035 H GLY 140 H GLY 140 -13.667 -6.696 1.529 1036 HA2 GLY 140 2HA GLY 140 -16.434 -7.108 1.699 1037 HA3 GLY 140 3HA GLY 140 -15.702 -8.524 2.458 1038 H ARG 141 H ARG 141 -15.357 -8.323 4.596 1039 HA ARG 141 HA ARG 141 -14.146 -6.017 5.805 1040 HB2 ARG 141 2HB ARG 141 -16.123 -5.350 7.218 1041 HB3 ARG 141 3HB ARG 141 -16.284 -4.939 5.513 1042 HG2 ARG 141 2HG ARG 141 -17.661 -6.942 5.140 1043 HG3 ARG 141 3HG ARG 141 -17.477 -7.399 6.834 1044 HD2 ARG 141 2HD ARG 141 -19.620 -6.269 6.546 1045 HD3 ARG 141 3HD ARG 141 -18.547 -5.234 7.487 1046 HE ARG 141 HE ARG 141 -18.302 -4.600 4.697 1047 HH11 ARG 141 1HH2 ARG 141 -20.410 -4.364 7.422 1048 HH12 ARG 141 2HH2 ARG 141 -21.171 -2.909 6.870 1049 HH21 ARG 141 1HH1 ARG 141 -19.285 -2.702 3.968 1050 HH22 ARG 141 2HH1 ARG 141 -20.534 -1.969 4.918 1051 H ASP 142 H ASP 142 -13.338 -8.525 5.983 1052 HA ASP 142 HA ASP 142 -13.916 -9.263 8.813 1053 HB2 ASP 142 2HB ASP 142 -14.096 -11.120 6.430 1054 HB3 ASP 142 3HB ASP 142 -13.936 -11.694 8.089 1055 HA PRO 143 HA PRO 143 -9.359 -8.989 7.776 1056 HB2 PRO 143 2HB PRO 143 -9.411 -8.519 10.739 1057 HB3 PRO 143 3HB PRO 143 -8.501 -7.662 9.481 1058 HG2 PRO 143 2HG PRO 143 -10.652 -6.567 10.601 1059 HG3 PRO 143 3HG PRO 143 -10.309 -6.358 8.874 1060 HD2 PRO 143 2HD PRO 143 -12.351 -8.117 10.186 1061 HD3 PRO 143 3HD PRO 143 -12.442 -7.244 8.639 1062 H GLY 144 H GLY 144 -11.061 -10.611 10.431 1063 HA2 GLY 144 2HA GLY 144 -10.697 -12.691 11.452 1064 HA3 GLY 144 3HA GLY 144 -10.105 -13.189 9.867 1065 HA PRO 145 HA PRO 145 -6.574 -13.125 12.958 1066 HB2 PRO 145 2HB PRO 145 -5.895 -15.780 12.751 1067 HB3 PRO 145 3HB PRO 145 -7.086 -15.170 13.917 1068 HG2 PRO 145 2HG PRO 145 -7.528 -16.521 11.295 1069 HG3 PRO 145 3HG PRO 145 -8.426 -16.687 12.814 1070 HD2 PRO 145 2HD PRO 145 -9.309 -15.169 10.696 1071 HD3 PRO 145 3HD PRO 145 -9.755 -14.836 12.384 1072 H ASP 146 H ASP 146 -7.026 -13.062 9.821 1073 HA ASP 146 HA ASP 146 -5.634 -12.814 7.960 1074 HB2 ASP 146 2HB ASP 146 -3.272 -12.967 9.833 1075 HB3 ASP 146 3HB ASP 146 -3.418 -12.081 8.317 1076 HA PRO 147 HA PRO 147 -4.609 -17.388 8.367 1077 HB2 PRO 147 2HB PRO 147 -6.534 -18.294 6.598 1078 HB3 PRO 147 3HB PRO 147 -6.779 -18.172 8.349 1079 HG2 PRO 147 2HG PRO 147 -7.694 -16.349 6.180 1080 HG3 PRO 147 3HG PRO 147 -8.499 -16.800 7.692 1081 HD2 PRO 147 2HD PRO 147 -7.198 -14.396 7.326 1082 HD3 PRO 147 3HD PRO 147 -7.414 -15.162 8.915 1083 H PHE 148 H PHE 148 -4.972 -15.071 5.832 1084 HA PHE 148 HA PHE 148 -3.752 -16.768 3.763 1085 HB2 PHE 148 2HB PHE 148 -5.428 -15.022 3.193 1086 HB3 PHE 148 3HB PHE 148 -4.313 -13.787 3.773 1087 HD1 PHE 148 HD2 PHE 148 -4.557 -16.630 1.350 1088 HD2 PHE 148 HD1 PHE 148 -2.700 -12.879 2.317 1089 HE1 PHE 148 HE2 PHE 148 -3.442 -16.610 -0.865 1090 HE2 PHE 148 HE1 PHE 148 -1.586 -12.860 0.102 1091 HZ PHE 148 HZ PHE 148 -1.958 -14.725 -1.489 1092 H TYR 149 H TYR 149 -1.974 -16.978 5.657 1093 HA TYR 149 HA TYR 149 -0.049 -14.895 6.010 1094 HB2 TYR 149 2HB TYR 149 -0.112 -16.831 7.488 1095 HB3 TYR 149 3HB TYR 149 0.257 -17.907 6.142 1096 HD1 TYR 149 HD1 TYR 149 1.603 -15.141 8.241 1097 HD2 TYR 149 HD2 TYR 149 2.495 -18.214 5.373 1098 HE1 TYR 149 HE1 TYR 149 4.029 -14.808 8.635 1099 HE2 TYR 149 HE2 TYR 149 4.919 -17.878 5.768 1100 HH TYR 149 HH TYR 149 6.284 -15.442 6.864 1101 H GLY 150 H GLY 150 -0.153 -17.618 3.707 1102 HA2 GLY 150 2HA GLY 150 1.028 -16.185 1.565 1103 HA3 GLY 150 3HA GLY 150 2.326 -17.020 2.415 1104 H ARG 151 H ARG 151 1.076 -19.394 3.148 1105 HA ARG 151 HA ARG 151 1.045 -20.783 0.582 1106 HB2 ARG 151 2HB ARG 151 0.609 -21.739 3.424 1107 HB3 ARG 151 3HB ARG 151 0.648 -22.813 2.023 1108 HG2 ARG 151 2HG ARG 151 2.924 -22.030 1.479 1109 HG3 ARG 151 3HG ARG 151 2.889 -20.950 2.873 1110 HD2 ARG 151 2HD ARG 151 2.531 -23.951 3.079 1111 HD3 ARG 151 3HD ARG 151 4.083 -23.138 3.282 1112 HE ARG 151 HE ARG 151 2.242 -21.877 5.023 1113 HH11 ARG 151 1HH2 ARG 151 3.728 -24.942 4.474 1114 HH12 ARG 151 2HH2 ARG 151 3.712 -25.397 6.146 1115 HH21 ARG 151 1HH1 ARG 151 2.217 -22.452 7.207 1116 HH22 ARG 151 2HH1 ARG 151 2.857 -23.987 7.692 1117 H ARG 152 H ARG 152 -0.709 -21.465 -0.553 1118 HA ARG 152 HA ARG 152 -3.318 -20.422 0.035 1119 HB2 ARG 152 2HB ARG 152 -2.533 -20.964 -2.265 1120 HB3 ARG 152 3HB ARG 152 -2.571 -22.677 -1.852 1121 HG2 ARG 152 2HG ARG 152 -4.977 -22.563 -1.440 1122 HG3 ARG 152 3HG ARG 152 -4.968 -20.823 -1.730 1123 HD2 ARG 152 2HD ARG 152 -5.725 -21.943 -3.754 1124 HD3 ARG 152 3HD ARG 152 -4.124 -21.264 -4.046 1125 HE ARG 152 HE ARG 152 -3.863 -23.969 -3.130 1126 HH11 ARG 152 1HH2 ARG 152 -4.865 -22.035 -5.807 1127 HH12 ARG 152 2HH2 ARG 152 -4.483 -23.242 -6.990 1128 HH21 ARG 152 1HH1 ARG 152 -3.361 -25.554 -4.663 1129 HH22 ARG 152 2HH1 ARG 152 -3.632 -25.230 -6.343 1130 H LEU 153 H LEU 153 -1.907 -23.677 0.413 1131 HA LEU 153 HA LEU 153 -4.342 -24.483 1.971 1132 HB2 LEU 153 2HB LEU 153 -3.841 -25.854 -0.061 1133 HB3 LEU 153 3HB LEU 153 -2.280 -26.267 0.642 1134 HG LEU 153 HG LEU 153 -3.432 -27.281 2.589 1135 HD11 LEU 153 1HD1 LEU 153 -6.005 -27.734 2.053 1136 HD12 LEU 153 2HD1 LEU 153 -5.851 -26.228 1.150 1137 HD13 LEU 153 3HD1 LEU 153 -5.499 -26.263 2.878 1138 HD21 LEU 153 3HD2 LEU 153 -4.397 -29.226 1.351 1139 HD22 LEU 153 1HD2 LEU 153 -2.836 -28.714 0.710 1140 HD23 LEU 153 2HD2 LEU 153 -4.322 -28.280 -0.134 1141 H GLU 154 H GLU 154 -4.082 -24.843 4.094 1142 HA GLU 154 HA GLU 154 -1.299 -25.025 5.202 1143 HB2 GLU 154 2HB GLU 154 -3.882 -24.019 6.415 1144 HB3 GLU 154 3HB GLU 154 -2.399 -24.259 7.340 1145 HG2 GLU 154 2HG GLU 154 -1.209 -22.697 5.868 1146 HG3 GLU 154 3HG GLU 154 -2.668 -22.475 4.902 1147 H HIS 155 H HIS 155 -1.041 -26.459 7.066 1148 HA HIS 155 HA HIS 155 -2.508 -28.977 6.662 1149 HB2 HIS 155 2HB HIS 155 -0.201 -28.219 8.473 1150 HB3 HIS 155 3HB HIS 155 -0.866 -29.848 8.345 1151 HD1 HIS 155 HD1 HIS 155 -0.793 -30.929 5.875 1152 HD2 HIS 155 HD2 HIS 155 1.599 -27.563 6.446 1153 HE1 HIS 155 HE1 HIS 155 0.841 -30.874 3.940 1154 H HIS 156 H HIS 156 -4.396 -29.256 7.687 1155 HA HIS 156 HA HIS 156 -4.930 -27.872 10.259 1156 HB2 HIS 156 2HB HIS 156 -6.661 -29.470 8.350 1157 HB3 HIS 156 3HB HIS 156 -7.243 -28.884 9.907 1158 HD1 HIS 156 HD1 HIS 156 -5.767 -27.552 6.663 1159 HD2 HIS 156 HD2 HIS 156 -8.028 -26.213 9.900 1160 HE1 HIS 156 HE1 HIS 156 -6.507 -25.198 6.095 1161 H HIS 157 H HIS 157 -3.790 -30.855 9.119 1162 HA HIS 157 HA HIS 157 -4.928 -32.645 11.052 1163 HB2 HIS 157 2HB HIS 157 -3.737 -33.375 8.976 1164 HB3 HIS 157 3HB HIS 157 -2.221 -32.832 9.695 1165 HD1 HIS 157 HD1 HIS 157 -5.125 -34.968 10.982 1166 HD2 HIS 157 HD2 HIS 157 -0.961 -35.013 10.799 1167 HE1 HIS 157 HE1 HIS 157 -4.380 -37.102 12.128 1168 H HIS 158 H HIS 158 -1.913 -30.732 11.046 1169 HA HIS 158 HA HIS 158 -1.903 -30.877 14.016 1170 HB2 HIS 158 2HB HIS 158 0.339 -31.825 12.219 1171 HB3 HIS 158 3HB HIS 158 0.595 -31.395 13.911 1172 HD1 HIS 158 HD1 HIS 158 -2.143 -32.534 14.969 1173 HD2 HIS 158 HD2 HIS 158 0.542 -34.625 12.561 1174 HE1 HIS 158 HE1 HIS 158 -2.602 -34.994 15.354 1175 H HIS 159 H HIS 159 -0.748 -29.152 14.987 1176 HA HIS 159 HA HIS 159 0.647 -27.201 13.290 1177 HB2 HIS 159 2HB HIS 159 -0.898 -25.343 14.242 1178 HB3 HIS 159 3HB HIS 159 -1.496 -26.303 12.891 1179 HD1 HIS 159 HD1 HIS 159 -1.899 -25.870 16.617 1180 HD2 HIS 159 HD2 HIS 159 -3.714 -27.948 13.490 1181 HE1 HIS 159 HE1 HIS 159 -4.055 -26.818 17.544 1182 H HIS 160 H HIS 160 2.408 -27.678 14.682 1183 HA HIS 160 HA HIS 160 3.682 -27.622 16.671 1184 HB2 HIS 160 2HB HIS 160 3.535 -25.225 15.912 1185 HB3 HIS 160 3HB HIS 160 2.179 -25.014 17.020 1186 HD1 HIS 160 HD1 HIS 160 2.690 -24.990 19.554 1187 HD2 HIS 160 HD2 HIS 160 6.077 -25.562 17.191 1188 HE1 HIS 160 HE1 HIS 160 4.687 -24.708 21.085 Start of MODEL 5 1 H1 MET 1 1H MET 1 21.073 14.006 5.926 2 H2 MET 1 2H MET 1 20.943 15.036 7.270 3 H3 MET 1 3H MET 1 19.765 15.078 6.048 4 HA MET 1 HA MET 1 20.117 13.191 8.239 5 HB2 MET 1 2HB MET 1 17.772 14.303 6.670 6 HB3 MET 1 3HB MET 1 17.611 13.164 8.008 7 HG2 MET 1 2HG MET 1 17.316 15.297 9.005 8 HG3 MET 1 3HG MET 1 18.981 14.864 9.386 9 HE1 MET 1 3HE MET 1 16.615 16.320 6.997 10 HE2 MET 1 1HE MET 1 17.391 17.703 6.214 11 HE3 MET 1 2HE MET 1 16.822 17.833 7.876 12 H GLU 2 H GLU 2 20.443 11.092 7.855 13 HA GLU 2 HA GLU 2 20.490 9.016 6.795 14 HB2 GLU 2 2HB GLU 2 17.984 9.448 6.876 15 HB3 GLU 2 3HB GLU 2 18.109 10.009 5.207 16 HG2 GLU 2 2HG GLU 2 17.514 7.680 5.115 17 HG3 GLU 2 3HG GLU 2 19.212 7.792 4.655 18 H LYS 3 H LYS 3 22.438 10.320 5.818 19 HA LYS 3 HA LYS 3 23.846 10.638 3.976 20 HB2 LYS 3 2HB LYS 3 21.871 8.833 2.553 21 HB3 LYS 3 3HB LYS 3 23.549 9.127 2.107 22 HG2 LYS 3 2HG LYS 3 22.661 7.868 4.719 23 HG3 LYS 3 3HG LYS 3 23.247 6.970 3.321 24 HD2 LYS 3 2HD LYS 3 25.356 8.443 3.472 25 HD3 LYS 3 3HD LYS 3 24.776 8.897 5.075 26 HE2 LYS 3 2HE LYS 3 24.767 6.575 5.790 27 HE3 LYS 3 3HE LYS 3 25.226 6.043 4.171 28 HZ1 LYS 3 3HZ LYS 3 27.085 6.244 5.825 29 HZ2 LYS 3 1HZ LYS 3 26.865 7.925 5.765 30 HZ3 LYS 3 2HZ LYS 3 27.315 7.078 4.363 31 H ALA 4 H ALA 4 23.993 11.602 1.827 32 HA ALA 4 HA ALA 4 21.926 13.673 1.470 33 HB1 ALA 4 3HB ALA 4 23.558 14.516 -0.275 34 HB2 ALA 4 1HB ALA 4 24.617 13.175 0.167 35 HB3 ALA 4 2HB ALA 4 24.222 14.416 1.357 36 H MET 5 H MET 5 22.347 10.561 0.395 37 HA MET 5 HA MET 5 20.552 11.039 -1.924 38 HB2 MET 5 2HB MET 5 23.131 9.447 -2.117 39 HB3 MET 5 3HB MET 5 21.927 9.623 -3.395 40 HG2 MET 5 2HG MET 5 22.282 12.142 -3.210 41 HG3 MET 5 3HG MET 5 23.683 11.780 -2.201 42 HE1 MET 5 3HE MET 5 24.810 13.352 -4.144 43 HE2 MET 5 1HE MET 5 26.016 12.361 -4.975 44 HE3 MET 5 2HE MET 5 25.777 12.193 -3.237 45 HA PRO 6 HA PRO 6 19.385 7.508 0.923 46 HB2 PRO 6 2HB PRO 6 16.702 8.485 0.021 47 HB3 PRO 6 3HB PRO 6 17.254 8.063 1.654 48 HG2 PRO 6 2HG PRO 6 16.919 10.604 0.926 49 HG3 PRO 6 3HG PRO 6 18.256 10.121 1.989 50 HD2 PRO 6 2HD PRO 6 18.328 10.819 -0.931 51 HD3 PRO 6 3HD PRO 6 19.526 11.160 0.341 52 H GLU 7 H GLU 7 18.980 5.442 0.189 53 HA GLU 7 HA GLU 7 17.371 4.772 -2.079 54 HB2 GLU 7 2HB GLU 7 19.297 5.791 -3.300 55 HB3 GLU 7 3HB GLU 7 20.369 4.625 -2.526 56 HG2 GLU 7 2HG GLU 7 19.179 2.774 -3.557 57 HG3 GLU 7 3HG GLU 7 17.983 3.882 -4.225 58 H SER 8 H SER 8 20.499 3.569 -0.862 59 HA SER 8 HA SER 8 21.091 1.415 -0.133 60 HB2 SER 8 2HB SER 8 19.904 0.744 1.878 61 HB3 SER 8 3HB SER 8 20.103 2.493 1.880 62 HG SER 8 HG SER 8 17.859 1.934 0.596 63 H PHE 9 H PHE 9 18.495 -0.151 0.902 64 HA PHE 9 HA PHE 9 18.326 -1.788 -1.550 65 HB2 PHE 9 2HB PHE 9 17.347 -2.142 1.287 66 HB3 PHE 9 3HB PHE 9 16.907 -3.261 -0.003 67 HD1 PHE 9 HD2 PHE 9 19.722 -1.869 1.961 68 HD2 PHE 9 HD1 PHE 9 18.516 -4.779 -0.957 69 HE1 PHE 9 HE2 PHE 9 21.912 -3.014 2.195 70 HE2 PHE 9 HE1 PHE 9 20.705 -5.921 -0.725 71 HZ PHE 9 HZ PHE 9 22.402 -5.038 0.851 72 H VAL 10 H VAL 10 16.353 -2.325 -2.559 73 HA VAL 10 HA VAL 10 14.117 -0.367 -2.119 74 HB VAL 10 HB VAL 10 15.014 -1.734 -4.670 75 HG11 VAL 10 1HG1 VAL 10 12.749 0.151 -4.016 76 HG12 VAL 10 2HG1 VAL 10 12.668 -1.414 -4.820 77 HG13 VAL 10 3HG1 VAL 10 13.368 -0.029 -5.657 78 HG21 VAL 10 3HG2 VAL 10 15.431 0.771 -5.278 79 HG22 VAL 10 1HG2 VAL 10 16.614 -0.056 -4.265 80 HG23 VAL 10 2HG2 VAL 10 15.435 1.030 -3.534 81 H VAL 11 H VAL 11 12.139 -1.258 -1.736 82 HA VAL 11 HA VAL 11 11.823 -4.227 -2.092 83 HB VAL 11 HB VAL 11 10.772 -2.371 0.060 84 HG11 VAL 11 1HG1 VAL 11 9.744 -4.547 0.948 85 HG12 VAL 11 2HG1 VAL 11 9.995 -5.201 -0.671 86 HG13 VAL 11 3HG1 VAL 11 8.939 -3.809 -0.437 87 HG21 VAL 11 3HG2 VAL 11 12.492 -4.870 0.133 88 HG22 VAL 11 1HG2 VAL 11 11.976 -3.940 1.540 89 HG23 VAL 11 2HG2 VAL 11 13.070 -3.219 0.359 90 H ARG 12 H ARG 12 10.107 -4.868 -3.278 91 HA ARG 12 HA ARG 12 7.975 -2.864 -3.953 92 HB2 ARG 12 2HB ARG 12 9.383 -4.839 -5.766 93 HB3 ARG 12 3HB ARG 12 7.886 -4.017 -6.206 94 HG2 ARG 12 2HG ARG 12 8.989 -1.834 -5.899 95 HG3 ARG 12 3HG ARG 12 10.487 -2.652 -5.454 96 HD2 ARG 12 2HD ARG 12 10.539 -3.750 -7.668 97 HD3 ARG 12 3HD ARG 12 9.058 -2.908 -8.116 98 HE ARG 12 HE ARG 12 11.741 -1.703 -7.893 99 HH11 ARG 12 1HH2 ARG 12 8.314 -1.294 -8.141 100 HH12 ARG 12 2HH2 ARG 12 8.427 0.320 -8.756 101 HH21 ARG 12 1HH1 ARG 12 11.889 0.398 -8.688 102 HH22 ARG 12 2HH1 ARG 12 10.446 1.276 -9.065 103 H ARG 13 H ARG 13 5.898 -3.671 -3.916 104 HA ARG 13 HA ARG 13 5.512 -6.606 -3.517 105 HB2 ARG 13 2HB ARG 13 4.458 -4.394 -1.734 106 HB3 ARG 13 3HB ARG 13 3.833 -6.044 -1.713 107 HG2 ARG 13 2HG ARG 13 6.122 -6.879 -1.215 108 HG3 ARG 13 3HG ARG 13 6.697 -5.211 -1.158 109 HD2 ARG 13 2HD ARG 13 4.467 -6.286 0.588 110 HD3 ARG 13 3HD ARG 13 6.147 -6.179 1.106 111 HE ARG 13 HE ARG 13 4.297 -3.916 0.740 112 HH11 ARG 13 1HH2 ARG 13 7.532 -5.069 1.112 113 HH12 ARG 13 2HH2 ARG 13 8.144 -3.551 1.673 114 HH21 ARG 13 1HH1 ARG 13 5.088 -1.933 1.476 115 HH22 ARG 13 2HH1 ARG 13 6.765 -1.779 1.879 116 H GLU 14 H GLU 14 3.390 -7.317 -4.095 117 HA GLU 14 HA GLU 14 1.662 -5.322 -5.500 118 HB2 GLU 14 2HB GLU 14 2.694 -7.938 -6.629 119 HB3 GLU 14 3HB GLU 14 1.359 -7.026 -7.336 120 HG2 GLU 14 2HG GLU 14 2.823 -5.083 -7.646 121 HG3 GLU 14 3HG GLU 14 4.159 -5.948 -6.888 122 H ALA 15 H ALA 15 -0.538 -5.845 -5.433 123 HA ALA 15 HA ALA 15 -1.386 -8.432 -4.288 124 HB1 ALA 15 3HB ALA 15 -0.911 -7.026 -2.298 125 HB2 ALA 15 1HB ALA 15 -2.631 -7.380 -2.444 126 HB3 ALA 15 2HB ALA 15 -2.014 -5.797 -2.916 127 H HIS 16 H HIS 16 -3.612 -8.838 -4.695 128 HA HIS 16 HA HIS 16 -4.860 -6.966 -6.680 129 HB2 HIS 16 2HB HIS 16 -5.480 -9.888 -6.160 130 HB3 HIS 16 3HB HIS 16 -6.087 -8.898 -7.488 131 HD1 HIS 16 HD1 HIS 16 -4.113 -7.883 -9.104 132 HD2 HIS 16 HD2 HIS 16 -3.096 -11.163 -6.743 133 HE1 HIS 16 HE1 HIS 16 -2.004 -8.864 -10.109 134 H LEU 17 H LEU 17 -6.540 -5.808 -5.922 135 HA LEU 17 HA LEU 17 -8.106 -6.881 -3.590 136 HB2 LEU 17 2HB LEU 17 -7.579 -4.003 -4.405 137 HB3 LEU 17 3HB LEU 17 -8.606 -4.511 -3.064 138 HG LEU 17 HG LEU 17 -6.371 -5.878 -2.381 139 HD11 LEU 17 1HD1 LEU 17 -5.063 -5.106 -4.321 140 HD12 LEU 17 2HD1 LEU 17 -4.379 -4.480 -2.824 141 HD13 LEU 17 3HD1 LEU 17 -5.351 -3.430 -3.855 142 HD21 LEU 17 3HD2 LEU 17 -5.761 -3.935 -0.932 143 HD22 LEU 17 1HD2 LEU 17 -7.490 -4.290 -0.914 144 HD23 LEU 17 2HD2 LEU 17 -6.876 -2.933 -1.860 145 H ALA 18 H ALA 18 -10.210 -7.267 -3.987 146 HA ALA 18 HA ALA 18 -11.290 -6.672 -6.647 147 HB1 ALA 18 3HB ALA 18 -11.837 -8.831 -5.832 148 HB2 ALA 18 1HB ALA 18 -13.323 -7.894 -5.669 149 HB3 ALA 18 2HB ALA 18 -12.312 -8.199 -4.256 150 H ALA 19 H ALA 19 -11.319 -4.325 -6.405 151 HA ALA 19 HA ALA 19 -13.882 -3.315 -5.677 152 HB1 ALA 19 3HB ALA 19 -11.690 -3.064 -3.639 153 HB2 ALA 19 1HB ALA 19 -13.403 -3.397 -3.387 154 HB3 ALA 19 2HB ALA 19 -12.868 -1.766 -3.788 155 HA PRO 20 HA PRO 20 -12.317 -0.131 -8.340 156 HB2 PRO 20 2HB PRO 20 -13.862 2.030 -7.561 157 HB3 PRO 20 3HB PRO 20 -14.465 0.696 -8.564 158 HG2 PRO 20 2HG PRO 20 -14.778 1.146 -5.625 159 HG3 PRO 20 3HG PRO 20 -15.967 0.567 -6.809 160 HD2 PRO 20 2HD PRO 20 -14.668 -1.129 -5.134 161 HD3 PRO 20 3HD PRO 20 -15.137 -1.610 -6.779 162 HA PRO 21 HA PRO 21 -9.180 2.229 -6.291 163 HB2 PRO 21 2HB PRO 21 -9.216 4.619 -7.707 164 HB3 PRO 21 3HB PRO 21 -8.484 3.120 -8.309 165 HG2 PRO 21 2HG PRO 21 -11.189 4.263 -8.888 166 HG3 PRO 21 3HG PRO 21 -10.018 3.525 -10.000 167 HD2 PRO 21 2HD PRO 21 -12.140 2.131 -9.117 168 HD3 PRO 21 3HD PRO 21 -10.558 1.344 -9.334 169 H ALA 22 H ALA 22 -12.294 3.821 -6.723 170 HA ALA 22 HA ALA 22 -11.887 5.976 -4.881 171 HB1 ALA 22 3HB ALA 22 -13.760 5.719 -6.596 172 HB2 ALA 22 1HB ALA 22 -14.256 6.298 -5.006 173 HB3 ALA 22 2HB ALA 22 -14.525 4.614 -5.454 174 H ALA 23 H ALA 23 -13.168 2.684 -4.447 175 HA ALA 23 HA ALA 23 -13.904 3.025 -1.692 176 HB1 ALA 23 3HB ALA 23 -14.078 0.617 -1.628 177 HB2 ALA 23 1HB ALA 23 -13.026 0.456 -3.034 178 HB3 ALA 23 2HB ALA 23 -14.640 1.145 -3.215 179 H VAL 24 H VAL 24 -10.927 1.878 -3.253 180 HA VAL 24 HA VAL 24 -9.558 1.199 -0.823 181 HB VAL 24 HB VAL 24 -8.510 1.991 -3.555 182 HG11 VAL 24 1HG1 VAL 24 -6.436 0.750 -2.700 183 HG12 VAL 24 2HG1 VAL 24 -7.121 0.937 -1.086 184 HG13 VAL 24 3HG1 VAL 24 -6.708 2.363 -2.040 185 HG21 VAL 24 3HG2 VAL 24 -8.911 -0.691 -2.191 186 HG22 VAL 24 1HG2 VAL 24 -8.171 -0.462 -3.776 187 HG23 VAL 24 2HG2 VAL 24 -9.869 -0.057 -3.527 188 H PHE 25 H PHE 25 -9.584 4.162 -2.799 189 HA PHE 25 HA PHE 25 -7.682 5.624 -1.263 190 HB2 PHE 25 2HB PHE 25 -8.464 6.357 -3.479 191 HB3 PHE 25 3HB PHE 25 -10.069 6.665 -2.816 192 HD1 PHE 25 HD1 PHE 25 -6.467 7.565 -2.333 193 HD2 PHE 25 HD2 PHE 25 -10.567 8.769 -1.878 194 HE1 PHE 25 HE1 PHE 25 -5.726 9.817 -1.606 195 HE2 PHE 25 HE2 PHE 25 -9.824 11.021 -1.152 196 HZ PHE 25 HZ PHE 25 -7.403 11.545 -1.016 197 H ALA 26 H ALA 26 -11.228 5.448 -0.978 198 HA ALA 26 HA ALA 26 -11.541 7.335 1.106 199 HB1 ALA 26 3HB ALA 26 -13.396 6.242 -0.181 200 HB2 ALA 26 1HB ALA 26 -13.660 6.241 1.563 201 HB3 ALA 26 2HB ALA 26 -13.116 4.772 0.753 202 H LEU 27 H LEU 27 -10.830 3.859 1.270 203 HA LEU 27 HA LEU 27 -10.885 3.636 4.121 204 HB2 LEU 27 2HB LEU 27 -9.577 2.073 1.901 205 HB3 LEU 27 3HB LEU 27 -9.272 1.644 3.584 206 HG LEU 27 HG LEU 27 -12.124 2.018 2.676 207 HD11 LEU 27 1HD1 LEU 27 -11.153 0.535 0.979 208 HD12 LEU 27 2HD1 LEU 27 -12.219 -0.375 2.050 209 HD13 LEU 27 3HD1 LEU 27 -10.469 -0.487 2.243 210 HD21 LEU 27 3HD2 LEU 27 -11.008 -0.086 4.539 211 HD22 LEU 27 1HD2 LEU 27 -12.623 0.622 4.514 212 HD23 LEU 27 2HD2 LEU 27 -11.254 1.562 5.100 213 H MET 28 H MET 28 -8.267 4.401 1.849 214 HA MET 28 HA MET 28 -6.290 4.646 3.995 215 HB2 MET 28 2HB MET 28 -6.192 5.340 1.046 216 HB3 MET 28 3HB MET 28 -4.808 5.423 2.135 217 HG2 MET 28 2HG MET 28 -6.368 2.858 2.023 218 HG3 MET 28 3HG MET 28 -5.269 3.230 0.698 219 HE1 MET 28 3HE MET 28 -2.725 2.294 0.885 220 HE2 MET 28 1HE MET 28 -1.857 3.355 2.004 221 HE3 MET 28 2HE MET 28 -3.059 4.023 0.901 222 H THR 29 H THR 29 -8.754 6.607 2.843 223 HA THR 29 HA THR 29 -7.304 9.154 3.361 224 HB THR 29 HB THR 29 -10.146 8.670 2.419 225 HG1 THR 29 HG1 THR 29 -9.241 8.374 0.568 226 HG21 THR 29 3HG2 THR 29 -8.459 11.134 2.817 227 HG22 THR 29 1HG2 THR 29 -10.121 10.838 3.329 228 HG23 THR 29 2HG2 THR 29 -9.759 11.114 1.626 229 H ASP 30 H ASP 30 -9.070 6.861 5.071 230 HA ASP 30 HA ASP 30 -9.909 8.891 7.114 231 HB2 ASP 30 2HB ASP 30 -11.173 6.265 6.343 232 HB3 ASP 30 3HB ASP 30 -11.587 7.129 7.821 233 HA PRO 31 HA PRO 31 -6.927 6.473 9.520 234 HB2 PRO 31 2HB PRO 31 -7.072 7.842 11.866 235 HB3 PRO 31 3HB PRO 31 -6.255 8.504 10.435 236 HG2 PRO 31 2HG PRO 31 -8.981 9.100 11.502 237 HG3 PRO 31 3HG PRO 31 -7.770 10.205 10.825 238 HD2 PRO 31 2HD PRO 31 -9.931 9.254 9.398 239 HD3 PRO 31 3HD PRO 31 -8.405 9.774 8.644 240 H GLU 32 H GLU 32 -10.175 7.223 10.664 241 HA GLU 32 HA GLU 32 -10.255 5.305 12.806 242 HB2 GLU 32 2HB GLU 32 -12.469 6.546 11.148 243 HB3 GLU 32 3HB GLU 32 -12.738 5.597 12.608 244 HG2 GLU 32 2HG GLU 32 -11.047 8.112 12.486 245 HG3 GLU 32 3HG GLU 32 -12.723 8.065 13.035 246 H LYS 33 H LYS 33 -11.276 5.160 9.396 247 HA LYS 33 HA LYS 33 -12.356 2.511 9.536 248 HB2 LYS 33 2HB LYS 33 -11.192 4.045 7.198 249 HB3 LYS 33 3HB LYS 33 -12.045 2.511 7.057 250 HG2 LYS 33 2HG LYS 33 -14.041 3.519 8.108 251 HG3 LYS 33 3HG LYS 33 -13.189 5.054 8.244 252 HD2 LYS 33 2HD LYS 33 -14.422 5.342 6.268 253 HD3 LYS 33 3HD LYS 33 -12.852 4.829 5.661 254 HE2 LYS 33 2HE LYS 33 -13.640 2.545 5.390 255 HE3 LYS 33 3HE LYS 33 -15.178 2.949 6.150 256 HZ1 LYS 33 3HZ LYS 33 -14.391 4.586 3.884 257 HZ2 LYS 33 1HZ LYS 33 -15.918 3.985 4.312 258 HZ3 LYS 33 2HZ LYS 33 -14.796 2.974 3.532 259 H ILE 34 H ILE 34 -9.090 3.718 8.868 260 HA ILE 34 HA ILE 34 -7.943 1.218 8.089 261 HB ILE 34 HB ILE 34 -6.735 3.651 9.434 262 HG12 ILE 34 2HG1 ILE 34 -6.469 2.659 6.584 263 HG13 ILE 34 3HG1 ILE 34 -7.693 3.825 7.086 264 HG21 ILE 34 1HG2 ILE 34 -5.443 1.129 8.380 265 HG22 ILE 34 2HG2 ILE 34 -5.253 1.863 9.972 266 HG23 ILE 34 3HG2 ILE 34 -4.555 2.643 8.553 267 HD11 ILE 34 3HD1 ILE 34 -4.794 4.314 7.752 268 HD12 ILE 34 1HD1 ILE 34 -6.105 5.479 7.572 269 HD13 ILE 34 2HD1 ILE 34 -5.412 4.707 6.149 270 H LEU 35 H LEU 35 -8.303 2.768 11.267 271 HA LEU 35 HA LEU 35 -6.916 0.777 12.764 272 HB2 LEU 35 2HB LEU 35 -9.133 2.686 13.531 273 HB3 LEU 35 3HB LEU 35 -8.269 1.691 14.698 274 HG LEU 35 HG LEU 35 -6.850 3.564 12.784 275 HD11 LEU 35 1HD1 LEU 35 -8.447 4.823 14.220 276 HD12 LEU 35 2HD1 LEU 35 -6.765 5.197 14.601 277 HD13 LEU 35 3HD1 LEU 35 -7.686 4.116 15.647 278 HD21 LEU 35 3HD2 LEU 35 -5.163 3.420 14.794 279 HD22 LEU 35 1HD2 LEU 35 -5.257 2.065 13.675 280 HD23 LEU 35 2HD2 LEU 35 -6.066 1.974 15.237 281 H ARG 36 H ARG 36 -9.824 0.549 11.059 282 HA ARG 36 HA ARG 36 -11.327 -1.204 12.774 283 HB2 ARG 36 2HB ARG 36 -12.269 -0.037 10.775 284 HB3 ARG 36 3HB ARG 36 -11.303 -1.094 9.745 285 HG2 ARG 36 2HG ARG 36 -12.457 -3.060 10.591 286 HG3 ARG 36 3HG ARG 36 -13.364 -2.070 11.737 287 HD2 ARG 36 2HD ARG 36 -14.768 -2.512 9.791 288 HD3 ARG 36 3HD ARG 36 -14.333 -0.803 9.813 289 HE ARG 36 HE ARG 36 -12.427 -2.276 8.246 290 HH11 ARG 36 1HH2 ARG 36 -15.669 -1.091 8.301 291 HH12 ARG 36 2HH2 ARG 36 -15.778 -0.930 6.580 292 HH21 ARG 36 1HH1 ARG 36 -12.556 -2.068 6.000 293 HH22 ARG 36 2HH1 ARG 36 -14.017 -1.483 5.279 294 H TRP 37 H TRP 37 -8.970 -1.828 10.172 295 HA TRP 37 HA TRP 37 -8.879 -4.712 11.014 296 HB2 TRP 37 2HB TRP 37 -7.809 -5.026 8.735 297 HB3 TRP 37 3HB TRP 37 -9.502 -4.533 8.704 298 HD1 TRP 37 HD1 TRP 37 -10.070 -2.084 7.903 299 HE1 TRP 37 HE1 TRP 37 -8.708 -0.316 6.611 300 HE3 TRP 37 HE3 TRP 37 -5.389 -4.064 8.373 301 HZ2 TRP 37 HZ2 TRP 37 -5.990 0.191 5.876 302 HZ3 TRP 37 HZ3 TRP 37 -3.432 -2.921 7.371 303 HH2 TRP 37 HH2 TRP 37 -3.727 -0.798 6.123 304 H MET 38 H MET 38 -7.010 -1.790 10.564 305 HA MET 38 HA MET 38 -4.430 -3.136 10.854 306 HB2 MET 38 2HB MET 38 -5.114 -0.789 9.736 307 HB3 MET 38 3HB MET 38 -4.734 -0.185 11.345 308 HG2 MET 38 2HG MET 38 -2.898 -1.822 9.567 309 HG3 MET 38 3HG MET 38 -2.743 -0.101 9.920 310 HE1 MET 38 3HE MET 38 -1.084 0.687 11.531 311 HE2 MET 38 1HE MET 38 -1.205 0.236 13.236 312 HE3 MET 38 2HE MET 38 -2.625 0.821 12.373 313 H GLY 39 H GLY 39 -5.842 -0.544 12.859 314 HA2 GLY 39 2HA GLY 39 -6.122 -0.447 15.204 315 HA3 GLY 39 3HA GLY 39 -5.589 -2.124 15.302 316 H THR 40 H THR 40 -4.380 -1.231 17.195 317 HA THR 40 HA THR 40 -2.416 -0.520 18.219 318 HB THR 40 HB THR 40 -0.344 -1.075 17.082 319 HG1 THR 40 HG1 THR 40 -1.575 -0.265 14.968 320 HG21 THR 40 3HG2 THR 40 -2.423 -3.071 16.175 321 HG22 THR 40 1HG2 THR 40 -1.941 -2.896 17.861 322 HG23 THR 40 2HG2 THR 40 -0.755 -3.389 16.652 323 H GLU 41 H GLU 41 -3.927 1.579 17.453 324 HA GLU 41 HA GLU 41 -3.870 3.868 17.013 325 HB2 GLU 41 2HB GLU 41 -0.921 3.405 17.544 326 HB3 GLU 41 3HB GLU 41 -1.672 4.991 17.434 327 HG2 GLU 41 2HG GLU 41 -2.467 2.833 19.413 328 HG3 GLU 41 3HG GLU 41 -1.448 4.221 19.788 329 H ALA 42 H ALA 42 -3.668 5.288 15.289 330 HA ALA 42 HA ALA 42 -1.735 4.911 13.164 331 HB1 ALA 42 3HB ALA 42 -3.328 3.009 12.756 332 HB2 ALA 42 1HB ALA 42 -3.226 4.153 11.420 333 HB3 ALA 42 2HB ALA 42 -4.605 4.202 12.519 334 H GLU 43 H GLU 43 -1.908 6.591 11.571 335 HA GLU 43 HA GLU 43 -3.997 8.674 12.066 336 HB2 GLU 43 2HB GLU 43 -1.924 9.309 13.292 337 HB3 GLU 43 3HB GLU 43 -1.020 9.207 11.782 338 HG2 GLU 43 2HG GLU 43 -1.612 11.534 12.198 339 HG3 GLU 43 3HG GLU 43 -2.532 10.957 10.813 340 H VAL 44 H VAL 44 -4.608 9.784 10.201 341 HA VAL 44 HA VAL 44 -3.853 8.510 7.662 342 HB VAL 44 HB VAL 44 -6.208 9.141 8.176 343 HG11 VAL 44 1HG1 VAL 44 -5.602 11.215 9.443 344 HG12 VAL 44 2HG1 VAL 44 -6.867 11.476 8.242 345 HG13 VAL 44 3HG1 VAL 44 -5.216 11.992 7.909 346 HG21 VAL 44 3HG2 VAL 44 -5.030 9.212 5.765 347 HG22 VAL 44 1HG2 VAL 44 -5.448 10.922 5.876 348 HG23 VAL 44 2HG2 VAL 44 -6.709 9.699 5.975 349 H GLU 45 H GLU 45 -1.861 10.117 9.182 350 HA GLU 45 HA GLU 45 -1.223 12.155 7.063 351 HB2 GLU 45 2HB GLU 45 -1.885 13.031 9.421 352 HB3 GLU 45 3HB GLU 45 -0.321 12.402 9.943 353 HG2 GLU 45 2HG GLU 45 0.066 14.682 9.353 354 HG3 GLU 45 3HG GLU 45 0.697 13.730 8.011 355 HA PRO 46 HA PRO 46 1.957 8.694 7.158 356 HB2 PRO 46 2HB PRO 46 2.279 9.987 4.461 357 HB3 PRO 46 3HB PRO 46 2.338 8.268 4.899 358 HG2 PRO 46 2HG PRO 46 0.184 9.306 3.738 359 HG3 PRO 46 3HG PRO 46 0.035 8.083 5.019 360 HD2 PRO 46 2HD PRO 46 -0.497 11.023 5.157 361 HD3 PRO 46 3HD PRO 46 -1.255 9.696 6.061 362 H GLU 47 H GLU 47 2.985 10.143 8.795 363 HA GLU 47 HA GLU 47 5.527 11.149 7.900 364 HB2 GLU 47 2HB GLU 47 4.066 13.033 7.134 365 HB3 GLU 47 3HB GLU 47 3.538 13.255 8.803 366 HG2 GLU 47 2HG GLU 47 5.881 13.660 9.488 367 HG3 GLU 47 3HG GLU 47 6.400 13.450 7.817 368 HA PRO 48 HA PRO 48 5.051 9.690 12.309 369 HB2 PRO 48 2HB PRO 48 7.949 9.147 11.771 370 HB3 PRO 48 3HB PRO 48 6.734 8.109 12.543 371 HG2 PRO 48 2HG PRO 48 7.561 7.656 10.045 372 HG3 PRO 48 3HG PRO 48 5.872 7.392 10.523 373 HD2 PRO 48 2HD PRO 48 7.045 9.627 8.908 374 HD3 PRO 48 3HD PRO 48 5.444 8.863 8.782 375 H GLY 49 H GLY 49 5.447 10.954 14.092 376 HA2 GLY 49 2HA GLY 49 6.500 12.561 15.470 377 HA3 GLY 49 3HA GLY 49 7.802 12.670 14.285 378 H GLY 50 H GLY 50 4.629 12.985 12.996 379 HA2 GLY 50 2HA GLY 50 5.183 15.701 12.135 380 HA3 GLY 50 3HA GLY 50 3.692 14.808 11.840 381 H LEU 51 H LEU 51 1.933 15.429 12.963 382 HA LEU 51 HA LEU 51 2.183 17.599 14.925 383 HB2 LEU 51 2HB LEU 51 -0.118 16.198 13.563 384 HB3 LEU 51 3HB LEU 51 -0.404 17.305 14.906 385 HG LEU 51 HG LEU 51 0.750 19.103 13.700 386 HD11 LEU 51 1HD1 LEU 51 1.286 18.607 11.224 387 HD12 LEU 51 2HD1 LEU 51 1.224 16.904 11.680 388 HD13 LEU 51 3HD1 LEU 51 2.409 17.976 12.428 389 HD21 LEU 51 3HD2 LEU 51 -1.277 17.707 11.922 390 HD22 LEU 51 1HD2 LEU 51 -0.889 19.429 11.913 391 HD23 LEU 51 2HD2 LEU 51 -1.686 18.712 13.313 392 H TYR 52 H TYR 52 2.452 14.326 15.140 393 HA TYR 52 HA TYR 52 2.289 12.788 16.891 394 HB2 TYR 52 2HB TYR 52 2.232 15.338 18.537 395 HB3 TYR 52 3HB TYR 52 2.476 13.720 19.189 396 HD1 TYR 52 HD2 TYR 52 3.917 16.354 17.026 397 HD2 TYR 52 HD1 TYR 52 4.559 12.541 18.897 398 HE1 TYR 52 HE2 TYR 52 6.332 16.493 16.480 399 HE2 TYR 52 HE1 TYR 52 6.973 12.679 18.350 400 HH TYR 52 HH TYR 52 8.418 13.828 16.697 401 H LEU 53 H LEU 53 0.184 12.112 16.156 402 HA LEU 53 HA LEU 53 -1.846 12.342 18.208 403 HB2 LEU 53 2HB LEU 53 -3.595 13.381 16.925 404 HB3 LEU 53 3HB LEU 53 -2.207 14.464 16.930 405 HG LEU 53 HG LEU 53 -2.988 12.576 14.683 406 HD11 LEU 53 1HD1 LEU 53 -3.447 14.668 13.473 407 HD12 LEU 53 2HD1 LEU 53 -3.037 15.587 14.922 408 HD13 LEU 53 3HD1 LEU 53 -4.445 14.525 14.920 409 HD21 LEU 53 3HD2 LEU 53 -0.648 12.705 14.494 410 HD22 LEU 53 1HD2 LEU 53 -0.584 14.339 15.157 411 HD23 LEU 53 2HD2 LEU 53 -1.160 14.071 13.510 412 H VAL 54 H VAL 54 -3.231 10.585 18.095 413 HA VAL 54 HA VAL 54 -3.375 9.006 15.584 414 HB VAL 54 HB VAL 54 -2.857 6.910 16.865 415 HG11 VAL 54 1HG1 VAL 54 -1.183 8.165 15.437 416 HG12 VAL 54 2HG1 VAL 54 -0.466 7.166 16.704 417 HG13 VAL 54 3HG1 VAL 54 -0.585 8.913 16.919 418 HG21 VAL 54 3HG2 VAL 54 -1.721 7.103 19.018 419 HG22 VAL 54 1HG2 VAL 54 -3.289 7.900 19.123 420 HG23 VAL 54 2HG2 VAL 54 -1.823 8.862 18.945 421 H ASN 55 H ASN 55 -4.994 7.143 15.946 422 HA ASN 55 HA ASN 55 -7.209 6.571 16.456 423 HB2 ASN 55 2HB ASN 55 -6.209 6.005 18.612 424 HB3 ASN 55 3HB ASN 55 -6.343 7.680 19.143 425 HD21 ASN 55 1HD2 ASN 55 -7.856 4.760 19.490 426 HD22 ASN 55 2HD2 ASN 55 -9.443 5.291 19.774 427 H VAL 56 H VAL 56 -7.318 9.194 18.784 428 HA VAL 56 HA VAL 56 -9.704 10.285 17.656 429 HB VAL 56 HB VAL 56 -9.001 10.580 20.024 430 HG11 VAL 56 1HG1 VAL 56 -7.217 11.984 20.656 431 HG12 VAL 56 2HG1 VAL 56 -7.133 12.754 19.074 432 HG13 VAL 56 3HG1 VAL 56 -6.559 11.099 19.280 433 HG21 VAL 56 3HG2 VAL 56 -9.340 13.218 18.568 434 HG22 VAL 56 1HG2 VAL 56 -9.806 12.862 20.232 435 HG23 VAL 56 2HG2 VAL 56 -10.659 12.094 18.892 436 H THR 57 H THR 57 -9.934 11.485 15.858 437 HA THR 57 HA THR 57 -7.732 13.345 15.042 438 HB THR 57 HB THR 57 -9.274 11.483 13.204 439 HG1 THR 57 HG1 THR 57 -6.497 11.535 13.438 440 HG21 THR 57 3HG2 THR 57 -7.297 13.713 12.714 441 HG22 THR 57 1HG2 THR 57 -8.891 13.485 11.992 442 HG23 THR 57 2HG2 THR 57 -7.557 12.425 11.537 443 H GLY 58 H GLY 58 -8.483 15.361 14.543 444 HA2 GLY 58 2HA GLY 58 -11.274 15.988 14.951 445 HA3 GLY 58 3HA GLY 58 -10.036 17.116 14.407 446 H ALA 59 H ALA 59 -12.841 15.637 13.484 447 HA ALA 59 HA ALA 59 -13.854 15.171 11.401 448 HB1 ALA 59 3HB ALA 59 -13.953 17.583 11.438 449 HB2 ALA 59 1HB ALA 59 -13.523 17.088 9.801 450 HB3 ALA 59 2HB ALA 59 -12.280 17.706 10.892 451 H ARG 60 H ARG 60 -11.657 16.647 9.329 452 HA ARG 60 HA ARG 60 -10.050 14.201 8.845 453 HB2 ARG 60 2HB ARG 60 -12.001 15.395 6.854 454 HB3 ARG 60 3HB ARG 60 -10.676 14.334 6.372 455 HG2 ARG 60 2HG ARG 60 -11.542 12.579 7.891 456 HG3 ARG 60 3HG ARG 60 -12.880 13.635 8.338 457 HD2 ARG 60 2HD ARG 60 -13.649 13.671 6.000 458 HD3 ARG 60 3HD ARG 60 -12.306 12.624 5.538 459 HE ARG 60 HE ARG 60 -13.704 11.317 7.622 460 HH11 ARG 60 1HH2 ARG 60 -14.170 12.425 4.389 461 HH12 ARG 60 2HH2 ARG 60 -15.325 11.194 3.997 462 HH21 ARG 60 1HH1 ARG 60 -15.207 9.709 7.129 463 HH22 ARG 60 2HH1 ARG 60 -15.914 9.658 5.548 464 H PHE 61 H PHE 61 -8.098 15.174 9.048 465 HA PHE 61 HA PHE 61 -7.572 17.895 8.205 466 HB2 PHE 61 2HB PHE 61 -6.327 16.878 10.051 467 HB3 PHE 61 3HB PHE 61 -5.688 15.645 8.963 468 HD1 PHE 61 HD1 PHE 61 -5.671 19.261 9.769 469 HD2 PHE 61 HD2 PHE 61 -3.885 16.121 7.446 470 HE1 PHE 61 HE1 PHE 61 -3.818 20.783 9.138 471 HE2 PHE 61 HE2 PHE 61 -2.031 17.643 6.814 472 HZ PHE 61 HZ PHE 61 -1.997 19.973 7.661 473 H ALA 62 H ALA 62 -6.872 18.596 6.233 474 HA ALA 62 HA ALA 62 -5.576 16.687 4.363 475 HB1 ALA 62 3HB ALA 62 -7.102 17.207 2.539 476 HB2 ALA 62 1HB ALA 62 -8.005 18.321 3.567 477 HB3 ALA 62 2HB ALA 62 -8.041 16.589 3.898 478 H ARG 63 H ARG 63 -3.793 17.747 3.635 479 HA ARG 63 HA ARG 63 -4.022 20.614 2.892 480 HB2 ARG 63 2HB ARG 63 -3.251 20.537 5.269 481 HB3 ARG 63 3HB ARG 63 -1.863 19.584 4.757 482 HG2 ARG 63 2HG ARG 63 -0.738 21.480 4.160 483 HG3 ARG 63 3HG ARG 63 -2.028 21.926 3.050 484 HD2 ARG 63 2HD ARG 63 -2.071 22.493 6.029 485 HD3 ARG 63 3HD ARG 63 -1.591 23.660 4.796 486 HE ARG 63 HE ARG 63 -4.095 22.801 3.967 487 HH11 ARG 63 1HH2 ARG 63 -2.716 24.090 6.852 488 HH12 ARG 63 2HH2 ARG 63 -4.169 24.895 7.343 489 HH21 ARG 63 1HH1 ARG 63 -5.996 23.840 4.589 490 HH22 ARG 63 2HH1 ARG 63 -6.027 24.753 6.059 491 H GLY 64 H GLY 64 -2.576 21.203 1.259 492 HA2 GLY 64 2HA GLY 64 -1.471 18.992 -0.287 493 HA3 GLY 64 3HA GLY 64 -1.389 20.700 -0.717 494 H SER 65 H SER 65 0.506 18.135 0.071 495 HA SER 65 HA SER 65 2.838 19.818 0.517 496 HB2 SER 65 2HB SER 65 1.700 19.596 2.816 497 HB3 SER 65 3HB SER 65 2.166 17.899 2.756 498 HG SER 65 HG SER 65 3.736 20.204 2.962 499 H PHE 66 H PHE 66 4.468 17.797 1.679 500 HA PHE 66 HA PHE 66 5.731 15.929 1.075 501 HB2 PHE 66 2HB PHE 66 3.392 14.787 -0.432 502 HB3 PHE 66 3HB PHE 66 4.576 13.969 0.583 503 HD1 PHE 66 HD2 PHE 66 4.436 15.904 2.978 504 HD2 PHE 66 HD1 PHE 66 1.393 14.009 0.609 505 HE1 PHE 66 HE2 PHE 66 2.862 16.046 4.878 506 HE2 PHE 66 HE1 PHE 66 -0.180 14.154 2.515 507 HZ PHE 66 HZ PHE 66 0.554 15.172 4.651 508 H ARG 67 H ARG 67 6.297 14.531 -0.966 509 HA ARG 67 HA ARG 67 7.294 16.302 -2.959 510 HB2 ARG 67 2HB ARG 67 6.877 13.302 -2.948 511 HB3 ARG 67 3HB ARG 67 7.709 14.155 -4.248 512 HG2 ARG 67 2HG ARG 67 9.367 15.011 -2.664 513 HG3 ARG 67 3HG ARG 67 8.514 14.237 -1.326 514 HD2 ARG 67 2HD ARG 67 10.391 12.825 -2.009 515 HD3 ARG 67 3HD ARG 67 8.874 12.024 -2.423 516 HE ARG 67 HE ARG 67 9.758 13.589 -4.653 517 HH11 ARG 67 1HH2 ARG 67 10.465 10.751 -2.820 518 HH12 ARG 67 2HH2 ARG 67 11.198 9.917 -4.150 519 HH21 ARG 67 1HH1 ARG 67 10.711 12.516 -6.394 520 HH22 ARG 67 2HH1 ARG 67 11.338 10.917 -6.170 521 H GLU 68 H GLU 68 4.614 13.936 -3.147 522 HA GLU 68 HA GLU 68 3.208 15.719 -5.043 523 HB2 GLU 68 2HB GLU 68 4.165 12.939 -5.772 524 HB3 GLU 68 3HB GLU 68 2.863 13.756 -6.633 525 HG2 GLU 68 2HG GLU 68 4.415 15.651 -7.111 526 HG3 GLU 68 3HG GLU 68 5.713 14.748 -6.332 527 H VAL 69 H VAL 69 0.980 15.298 -5.094 528 HA VAL 69 HA VAL 69 -0.043 13.017 -3.462 529 HB VAL 69 HB VAL 69 -1.078 15.845 -3.147 530 HG11 VAL 69 1HG1 VAL 69 -2.515 13.807 -2.606 531 HG12 VAL 69 2HG1 VAL 69 -2.279 14.948 -1.282 532 HG13 VAL 69 3HG1 VAL 69 -1.357 13.446 -1.324 533 HG21 VAL 69 3HG2 VAL 69 0.133 15.607 -0.856 534 HG22 VAL 69 1HG2 VAL 69 1.110 16.006 -2.267 535 HG23 VAL 69 2HG2 VAL 69 1.084 14.354 -1.655 536 H VAL 70 H VAL 70 -1.195 11.961 -4.999 537 HA VAL 70 HA VAL 70 -2.988 13.573 -6.774 538 HB VAL 70 HB VAL 70 -2.235 10.744 -7.457 539 HG11 VAL 70 1HG1 VAL 70 -2.621 13.285 -9.075 540 HG12 VAL 70 2HG1 VAL 70 -3.828 12.021 -8.853 541 HG13 VAL 70 3HG1 VAL 70 -2.346 11.676 -9.745 542 HG21 VAL 70 3HG2 VAL 70 -0.198 11.639 -8.629 543 HG22 VAL 70 1HG2 VAL 70 -0.073 11.668 -6.871 544 HG23 VAL 70 2HG2 VAL 70 -0.420 13.156 -7.754 545 HA PRO 71 HA PRO 71 -6.109 11.396 -4.342 546 HB2 PRO 71 2HB PRO 71 -8.351 12.321 -5.593 547 HB3 PRO 71 3HB PRO 71 -7.382 13.325 -4.496 548 HG2 PRO 71 2HG PRO 71 -7.400 13.262 -7.483 549 HG3 PRO 71 3HG PRO 71 -7.326 14.654 -6.386 550 HD2 PRO 71 2HD PRO 71 -5.116 13.619 -7.640 551 HD3 PRO 71 3HD PRO 71 -5.039 14.456 -6.071 552 H VAL 72 H VAL 72 -7.575 9.642 -4.564 553 HA VAL 72 HA VAL 72 -7.836 7.440 -5.442 554 HB VAL 72 HB VAL 72 -9.594 7.533 -7.213 555 HG11 VAL 72 1HG1 VAL 72 -11.188 8.941 -5.822 556 HG12 VAL 72 2HG1 VAL 72 -9.800 9.395 -4.833 557 HG13 VAL 72 3HG1 VAL 72 -10.307 7.708 -4.923 558 HG21 VAL 72 3HG2 VAL 72 -10.304 9.608 -8.142 559 HG22 VAL 72 1HG2 VAL 72 -8.549 9.619 -8.298 560 HG23 VAL 72 2HG2 VAL 72 -9.322 10.540 -7.011 561 H HIS 73 H HIS 73 -5.322 8.452 -6.349 562 HA HIS 73 HA HIS 73 -5.108 6.953 -8.918 563 HB2 HIS 73 2HB HIS 73 -4.137 9.765 -8.387 564 HB3 HIS 73 3HB HIS 73 -3.451 8.766 -9.666 565 HD1 HIS 73 HD1 HIS 73 -6.099 11.131 -9.066 566 HD2 HIS 73 HD2 HIS 73 -5.663 7.766 -11.490 567 HE1 HIS 73 HE1 HIS 73 -7.892 11.293 -10.848 568 H ARG 74 H ARG 74 -2.722 8.973 -7.249 569 HA ARG 74 HA ARG 74 -1.415 6.613 -6.050 570 HB2 ARG 74 2HB ARG 74 0.729 7.072 -7.208 571 HB3 ARG 74 3HB ARG 74 -0.539 6.595 -8.336 572 HG2 ARG 74 2HG ARG 74 -0.949 8.968 -8.877 573 HG3 ARG 74 3HG ARG 74 0.330 9.442 -7.756 574 HD2 ARG 74 2HD ARG 74 1.959 8.121 -9.068 575 HD3 ARG 74 3HD ARG 74 0.687 7.689 -10.205 576 HE ARG 74 HE ARG 74 1.969 10.341 -9.956 577 HH11 ARG 74 1HH2 ARG 74 -0.574 8.372 -11.235 578 HH12 ARG 74 2HH2 ARG 74 -0.921 9.454 -12.541 579 HH21 ARG 74 1HH1 ARG 74 1.517 11.750 -11.653 580 HH22 ARG 74 2HH1 ARG 74 0.256 11.362 -12.776 581 H LEU 75 H LEU 75 0.294 7.237 -4.561 582 HA LEU 75 HA LEU 75 0.376 10.155 -3.874 583 HB2 LEU 75 2HB LEU 75 0.007 7.838 -1.953 584 HB3 LEU 75 3HB LEU 75 0.257 9.515 -1.477 585 HG LEU 75 HG LEU 75 -2.030 8.575 -3.233 586 HD11 LEU 75 1HD1 LEU 75 -3.440 8.745 -1.262 587 HD12 LEU 75 2HD1 LEU 75 -2.074 9.287 -0.287 588 HD13 LEU 75 3HD1 LEU 75 -2.111 7.638 -0.912 589 HD21 LEU 75 3HD2 LEU 75 -2.919 10.879 -2.304 590 HD22 LEU 75 1HD2 LEU 75 -1.787 10.873 -3.650 591 HD23 LEU 75 2HD2 LEU 75 -1.215 11.216 -2.019 592 H ALA 76 H ALA 76 2.330 10.844 -2.941 593 HA ALA 76 HA ALA 76 4.500 8.843 -2.591 594 HB1 ALA 76 3HB ALA 76 5.970 9.845 -4.155 595 HB2 ALA 76 1HB ALA 76 4.967 11.291 -4.303 596 HB3 ALA 76 2HB ALA 76 4.431 9.769 -5.012 597 H TYR 77 H TYR 77 5.615 9.366 -0.784 598 HA TYR 77 HA TYR 77 6.083 12.188 -0.070 599 HB2 TYR 77 2HB TYR 77 5.101 11.930 2.193 600 HB3 TYR 77 3HB TYR 77 3.879 11.782 0.931 601 HD1 TYR 77 HD1 TYR 77 5.871 9.947 3.441 602 HD2 TYR 77 HD2 TYR 77 2.815 9.662 0.438 603 HE1 TYR 77 HE1 TYR 77 5.250 7.697 4.285 604 HE2 TYR 77 HE2 TYR 77 2.195 7.414 1.280 605 HH TYR 77 HH TYR 77 2.920 5.677 2.586 606 H SER 78 H SER 78 7.675 12.373 1.650 607 HA SER 78 HA SER 78 9.031 9.853 2.469 608 HB2 SER 78 2HB SER 78 10.076 10.804 0.323 609 HB3 SER 78 3HB SER 78 10.603 12.163 1.308 610 HG SER 78 HG SER 78 12.229 10.674 1.377 611 H PHE 79 H PHE 79 9.415 10.001 4.608 612 HA PHE 79 HA PHE 79 10.384 12.499 5.791 613 HB2 PHE 79 2HB PHE 79 7.647 11.386 6.467 614 HB3 PHE 79 3HB PHE 79 8.515 12.518 7.506 615 HD1 PHE 79 HD2 PHE 79 9.068 14.805 6.691 616 HD2 PHE 79 HD1 PHE 79 6.632 12.110 4.398 617 HE1 PHE 79 HE2 PHE 79 8.300 16.697 5.285 618 HE2 PHE 79 HE1 PHE 79 5.865 14.004 2.991 619 HZ PHE 79 HZ PHE 79 6.700 16.298 3.434 620 H GLY 80 H GLY 80 12.167 11.331 6.520 621 HA2 GLY 80 2HA GLY 80 11.710 8.877 8.138 622 HA3 GLY 80 3HA GLY 80 13.274 9.471 7.582 623 H TRP 81 H TRP 81 11.225 9.279 10.241 624 HA TRP 81 HA TRP 81 12.568 11.577 11.626 625 HB2 TRP 81 2HB TRP 81 10.097 11.641 11.620 626 HB3 TRP 81 3HB TRP 81 10.057 10.049 12.379 627 HD1 TRP 81 HD1 TRP 81 10.036 10.027 14.918 628 HE1 TRP 81 HE1 TRP 81 10.584 11.722 16.779 629 HE3 TRP 81 HE3 TRP 81 11.824 13.888 12.095 630 HZ2 TRP 81 HZ2 TRP 81 11.642 14.368 17.039 631 HZ3 TRP 81 HZ3 TRP 81 12.596 15.983 13.173 632 HH2 TRP 81 HH2 TRP 81 12.506 16.226 15.640 633 H ASP 82 H ASP 82 13.850 11.162 13.396 634 HA ASP 82 HA ASP 82 15.197 9.905 14.840 635 HB2 ASP 82 2HB ASP 82 12.597 8.355 14.966 636 HB3 ASP 82 3HB ASP 82 13.985 7.981 15.986 637 H GLY 83 H GLY 83 15.732 9.443 12.200 638 HA2 GLY 83 2HA GLY 83 15.616 6.990 10.997 639 HA3 GLY 83 3HA GLY 83 17.100 7.937 11.001 640 H SER 84 H SER 84 16.707 4.997 11.120 641 HA SER 84 HA SER 84 17.534 3.137 12.286 642 HB2 SER 84 2HB SER 84 19.494 5.095 13.487 643 HB3 SER 84 3HB SER 84 19.748 3.390 13.126 644 HG SER 84 HG SER 84 19.515 3.922 10.908 645 H GLU 85 H GLU 85 18.711 2.890 14.788 646 HA GLU 85 HA GLU 85 18.140 2.608 17.033 647 HB2 GLU 85 2HB GLU 85 18.407 5.084 17.059 648 HB3 GLU 85 3HB GLU 85 16.696 5.251 16.672 649 HG2 GLU 85 2HG GLU 85 16.086 4.060 18.729 650 HG3 GLU 85 3HG GLU 85 17.792 3.826 19.112 651 H VAL 86 H VAL 86 15.223 4.264 15.813 652 HA VAL 86 HA VAL 86 13.688 1.757 15.993 653 HB VAL 86 HB VAL 86 13.588 2.489 18.304 654 HG11 VAL 86 1HG1 VAL 86 13.099 4.673 19.017 655 HG12 VAL 86 2HG1 VAL 86 12.380 5.129 17.474 656 HG13 VAL 86 3HG1 VAL 86 14.128 4.954 17.618 657 HG21 VAL 86 3HG2 VAL 86 11.232 2.577 18.580 658 HG22 VAL 86 1HG2 VAL 86 11.473 1.722 17.057 659 HG23 VAL 86 2HG2 VAL 86 11.003 3.425 17.053 660 H VAL 87 H VAL 87 12.729 1.847 14.028 661 HA VAL 87 HA VAL 87 11.069 4.214 13.370 662 HB VAL 87 HB VAL 87 12.048 4.004 10.952 663 HG11 VAL 87 1HG1 VAL 87 13.741 5.690 11.471 664 HG12 VAL 87 2HG1 VAL 87 13.719 5.219 13.169 665 HG13 VAL 87 3HG1 VAL 87 12.301 5.976 12.445 666 HG21 VAL 87 3HG2 VAL 87 14.332 3.246 10.819 667 HG22 VAL 87 1HG2 VAL 87 13.396 1.955 11.574 668 HG23 VAL 87 2HG2 VAL 87 14.409 3.006 12.566 669 HA PRO 88 HA PRO 88 9.211 -0.013 12.596 670 HB2 PRO 88 2HB PRO 88 6.749 1.267 13.589 671 HB3 PRO 88 3HB PRO 88 7.550 -0.200 14.148 672 HG2 PRO 88 2HG PRO 88 7.540 2.224 15.498 673 HG3 PRO 88 3HG PRO 88 8.676 0.897 15.779 674 HD2 PRO 88 2HD PRO 88 9.171 3.502 14.480 675 HD3 PRO 88 3HD PRO 88 10.333 2.332 15.116 676 HA PRO 89 HA PRO 89 6.180 2.205 9.678 677 HB2 PRO 89 2HB PRO 89 5.979 4.910 9.622 678 HB3 PRO 89 3HB PRO 89 5.106 3.914 10.804 679 HG2 PRO 89 2HG PRO 89 7.542 5.579 11.169 680 HG3 PRO 89 3HG PRO 89 6.231 5.227 12.308 681 HD2 PRO 89 2HD PRO 89 8.750 3.966 12.260 682 HD3 PRO 89 3HD PRO 89 7.323 3.394 13.139 683 H GLY 90 H GLY 90 6.379 3.128 7.499 684 HA2 GLY 90 2HA GLY 90 8.897 2.810 6.307 685 HA3 GLY 90 3HA GLY 90 7.587 3.736 5.579 686 H SER 91 H SER 91 10.412 3.953 7.669 687 HA SER 91 HA SER 91 10.256 6.900 7.754 688 HB2 SER 91 2HB SER 91 11.030 5.729 9.762 689 HB3 SER 91 3HB SER 91 12.289 4.918 8.830 690 HG SER 91 HG SER 91 13.030 7.108 8.319 691 H SER 92 H SER 92 10.363 6.351 5.161 692 HA SER 92 HA SER 92 12.949 7.389 4.311 693 HB2 SER 92 2HB SER 92 13.386 4.918 4.588 694 HB3 SER 92 3HB SER 92 12.190 4.631 3.326 695 HG SER 92 HG SER 92 14.579 6.154 3.139 696 H LEU 93 H LEU 93 12.156 5.758 1.677 697 HA LEU 93 HA LEU 93 10.294 7.883 0.706 698 HB2 LEU 93 2HB LEU 93 12.352 7.685 -0.584 699 HB3 LEU 93 3HB LEU 93 12.104 5.952 -0.777 700 HG LEU 93 HG LEU 93 10.108 6.335 -2.128 701 HD11 LEU 93 1HD1 LEU 93 9.674 8.822 -2.781 702 HD12 LEU 93 2HD1 LEU 93 10.556 9.203 -1.303 703 HD13 LEU 93 3HD1 LEU 93 9.073 8.253 -1.227 704 HD21 LEU 93 3HD2 LEU 93 12.507 8.006 -2.915 705 HD22 LEU 93 1HD2 LEU 93 11.171 7.654 -4.012 706 HD23 LEU 93 2HD2 LEU 93 12.162 6.340 -3.378 707 H VAL 94 H VAL 94 8.221 7.290 0.746 708 HA VAL 94 HA VAL 94 7.479 4.437 0.180 709 HB VAL 94 HB VAL 94 5.714 6.488 1.523 710 HG11 VAL 94 1HG1 VAL 94 5.845 3.455 1.545 711 HG12 VAL 94 2HG1 VAL 94 4.635 4.441 0.724 712 HG13 VAL 94 3HG1 VAL 94 4.706 4.419 2.485 713 HG21 VAL 94 3HG2 VAL 94 6.509 5.484 3.686 714 HG22 VAL 94 1HG2 VAL 94 7.748 6.419 2.850 715 HG23 VAL 94 2HG2 VAL 94 7.777 4.658 2.782 716 H GLU 95 H GLU 95 6.310 4.080 -1.644 717 HA GLU 95 HA GLU 95 4.813 6.351 -2.882 718 HB2 GLU 95 2HB GLU 95 6.838 4.564 -4.256 719 HB3 GLU 95 3HB GLU 95 5.679 5.573 -5.125 720 HG2 GLU 95 2HG GLU 95 6.573 7.580 -4.052 721 HG3 GLU 95 3HG GLU 95 7.688 6.601 -3.101 722 H ILE 96 H ILE 96 2.837 5.737 -3.534 723 HA ILE 96 HA ILE 96 2.247 2.809 -3.857 724 HB ILE 96 HB ILE 96 0.522 4.964 -2.598 725 HG12 ILE 96 2HG1 ILE 96 1.625 2.411 -1.390 726 HG13 ILE 96 3HG1 ILE 96 2.416 3.979 -1.224 727 HG21 ILE 96 1HG2 ILE 96 -0.952 3.528 -3.790 728 HG22 ILE 96 2HG2 ILE 96 -0.969 2.924 -2.133 729 HG23 ILE 96 3HG2 ILE 96 -0.020 2.090 -3.364 730 HD11 ILE 96 3HD1 ILE 96 0.897 3.373 0.702 731 HD12 ILE 96 1HD1 ILE 96 -0.459 3.465 -0.421 732 HD13 ILE 96 2HD1 ILE 96 0.502 4.904 -0.081 733 H ASP 97 H ASP 97 1.305 2.326 -5.782 734 HA ASP 97 HA ASP 97 0.078 4.560 -7.374 735 HB2 ASP 97 2HB ASP 97 1.904 2.324 -8.287 736 HB3 ASP 97 3HB ASP 97 0.939 3.297 -9.399 737 H LEU 98 H LEU 98 -1.954 4.145 -8.014 738 HA LEU 98 HA LEU 98 -3.036 1.381 -7.652 739 HB2 LEU 98 2HB LEU 98 -4.512 3.997 -8.091 740 HB3 LEU 98 3HB LEU 98 -5.227 2.450 -7.633 741 HG LEU 98 HG LEU 98 -3.222 4.013 -5.974 742 HD11 LEU 98 1HD1 LEU 98 -6.175 3.529 -5.485 743 HD12 LEU 98 2HD1 LEU 98 -5.517 5.025 -6.148 744 HD13 LEU 98 3HD1 LEU 98 -5.089 4.521 -4.511 745 HD21 LEU 98 3HD2 LEU 98 -4.122 2.289 -4.218 746 HD22 LEU 98 1HD2 LEU 98 -2.907 1.755 -5.375 747 HD23 LEU 98 2HD2 LEU 98 -4.605 1.348 -5.630 748 H ILE 99 H ILE 99 -3.370 0.192 -9.456 749 HA ILE 99 HA ILE 99 -3.730 1.614 -12.077 750 HB ILE 99 HB ILE 99 -2.159 -0.913 -11.501 751 HG12 ILE 99 2HG1 ILE 99 -1.275 1.741 -12.676 752 HG13 ILE 99 3HG1 ILE 99 -1.114 1.336 -10.968 753 HG21 ILE 99 1HG2 ILE 99 -1.616 -0.659 -13.999 754 HG22 ILE 99 2HG2 ILE 99 -3.004 0.427 -14.078 755 HG23 ILE 99 3HG2 ILE 99 -3.228 -1.256 -13.602 756 HD11 ILE 99 3HD1 ILE 99 0.167 -0.738 -11.707 757 HD12 ILE 99 1HD1 ILE 99 0.987 0.800 -11.983 758 HD13 ILE 99 2HD1 ILE 99 0.200 -0.033 -13.324 759 H GLU 100 H GLU 100 -5.521 1.047 -13.143 760 HA GLU 100 HA GLU 100 -7.503 -0.648 -12.000 761 HB2 GLU 100 2HB GLU 100 -7.157 0.399 -14.821 762 HB3 GLU 100 3HB GLU 100 -8.608 -0.430 -14.258 763 HG2 GLU 100 2HG GLU 100 -7.463 2.064 -12.970 764 HG3 GLU 100 3HG GLU 100 -8.786 2.071 -14.135 765 H GLN 101 H GLN 101 -8.100 -2.769 -12.423 766 HA GLN 101 HA GLN 101 -6.546 -4.321 -14.432 767 HB2 GLN 101 2HB GLN 101 -5.348 -4.528 -12.255 768 HB3 GLN 101 3HB GLN 101 -6.823 -5.170 -11.533 769 HG2 GLN 101 2HG GLN 101 -6.801 -7.072 -13.031 770 HG3 GLN 101 3HG GLN 101 -5.453 -6.392 -13.944 771 HE21 GLN 101 1HE2 GLN 101 -3.472 -7.262 -13.362 772 HE22 GLN 101 2HE2 GLN 101 -3.089 -7.886 -11.831 773 H GLY 102 H GLY 102 -7.596 -6.404 -14.922 774 HA2 GLY 102 2HA GLY 102 -10.513 -6.155 -14.838 775 HA3 GLY 102 3HA GLY 102 -9.603 -7.414 -15.667 776 H GLY 103 H GLY 103 -11.827 -7.116 -13.375 777 HA2 GLY 103 2HA GLY 103 -12.603 -8.811 -11.900 778 HA3 GLY 103 3HA GLY 103 -11.063 -9.650 -12.089 779 H GLY 104 H GLY 104 -10.551 -6.381 -11.454 780 HA2 GLY 104 2HA GLY 104 -10.951 -5.901 -8.790 781 HA3 GLY 104 3HA GLY 104 -9.571 -7.001 -8.763 782 H THR 105 H THR 105 -8.650 -4.930 -7.761 783 HA THR 105 HA THR 105 -7.530 -3.161 -9.919 784 HB THR 105 HB THR 105 -8.147 -2.472 -7.028 785 HG1 THR 105 HG1 THR 105 -9.317 -1.721 -9.497 786 HG21 THR 105 3HG2 THR 105 -6.958 -0.863 -9.300 787 HG22 THR 105 1HG2 THR 105 -6.183 -1.272 -7.768 788 HG23 THR 105 2HG2 THR 105 -7.549 -0.155 -7.797 789 H LEU 106 H LEU 106 -5.350 -3.213 -10.070 790 HA LEU 106 HA LEU 106 -3.831 -4.853 -8.156 791 HB2 LEU 106 2HB LEU 106 -3.335 -5.114 -10.527 792 HB3 LEU 106 3HB LEU 106 -3.010 -3.390 -10.682 793 HG LEU 106 HG LEU 106 -1.072 -3.573 -9.206 794 HD11 LEU 106 1HD1 LEU 106 -0.395 -6.034 -8.608 795 HD12 LEU 106 2HD1 LEU 106 -2.111 -6.380 -8.827 796 HD13 LEU 106 3HD1 LEU 106 -1.593 -5.215 -7.609 797 HD21 LEU 106 3HD2 LEU 106 0.355 -4.917 -10.639 798 HD22 LEU 106 1HD2 LEU 106 -0.848 -4.106 -11.642 799 HD23 LEU 106 2HD2 LEU 106 -1.038 -5.814 -11.246 800 H LEU 107 H LEU 107 -2.634 -4.039 -6.529 801 HA LEU 107 HA LEU 107 -2.184 -1.072 -6.421 802 HB2 LEU 107 2HB LEU 107 -3.667 -2.018 -4.653 803 HB3 LEU 107 3HB LEU 107 -2.346 -3.059 -4.132 804 HG LEU 107 HG LEU 107 -1.622 -0.171 -4.346 805 HD11 LEU 107 1HD1 LEU 107 -2.720 0.419 -2.204 806 HD12 LEU 107 2HD1 LEU 107 -3.566 -1.129 -2.226 807 HD13 LEU 107 3HD1 LEU 107 -3.896 0.075 -3.473 808 HD21 LEU 107 3HD2 LEU 107 -0.312 -0.652 -2.433 809 HD22 LEU 107 1HD2 LEU 107 -0.273 -2.154 -3.351 810 HD23 LEU 107 2HD2 LEU 107 -1.340 -2.007 -1.958 811 H ARG 108 H ARG 108 -0.109 -0.507 -6.672 812 HA ARG 108 HA ARG 108 2.031 -2.544 -6.168 813 HB2 ARG 108 2HB ARG 108 2.002 -0.036 -7.871 814 HB3 ARG 108 3HB ARG 108 3.418 -1.062 -7.630 815 HG2 ARG 108 2HG ARG 108 2.216 -2.979 -8.580 816 HG3 ARG 108 3HG ARG 108 0.773 -1.988 -8.785 817 HD2 ARG 108 2HD ARG 108 1.957 -2.108 -10.910 818 HD3 ARG 108 3HD ARG 108 2.078 -0.469 -10.275 819 HE ARG 108 HE ARG 108 4.406 -0.817 -9.895 820 HH11 ARG 108 1HH2 ARG 108 2.733 -3.704 -10.796 821 HH12 ARG 108 2HH2 ARG 108 4.183 -4.611 -11.073 822 HH21 ARG 108 1HH1 ARG 108 6.300 -1.996 -10.245 823 HH22 ARG 108 2HH1 ARG 108 6.197 -3.646 -10.760 824 H LEU 109 H LEU 109 3.472 -2.161 -4.558 825 HA LEU 109 HA LEU 109 3.537 0.578 -3.320 826 HB2 LEU 109 2HB LEU 109 2.366 -1.246 -1.950 827 HB3 LEU 109 3HB LEU 109 3.939 -2.024 -1.821 828 HG LEU 109 HG LEU 109 3.451 0.861 -1.024 829 HD11 LEU 109 1HD1 LEU 109 3.476 -0.064 1.330 830 HD12 LEU 109 2HD1 LEU 109 3.290 -1.669 0.623 831 HD13 LEU 109 3HD1 LEU 109 2.034 -0.452 0.392 832 HD21 LEU 109 3HD2 LEU 109 5.760 0.677 -1.182 833 HD22 LEU 109 1HD2 LEU 109 5.766 -1.054 -0.848 834 HD23 LEU 109 2HD2 LEU 109 5.548 0.099 0.465 835 H THR 110 H THR 110 5.504 1.438 -3.582 836 HA THR 110 HA THR 110 7.891 -0.382 -3.750 837 HB THR 110 HB THR 110 7.443 2.326 -5.044 838 HG1 THR 110 HG1 THR 110 7.951 -0.094 -6.368 839 HG21 THR 110 3HG2 THR 110 9.757 2.132 -4.463 840 HG22 THR 110 1HG2 THR 110 9.637 1.723 -6.174 841 HG23 THR 110 2HG2 THR 110 9.807 0.444 -4.973 842 H HIS 111 H HIS 111 9.420 -0.050 -2.226 843 HA HIS 111 HA HIS 111 9.441 2.540 -0.715 844 HB2 HIS 111 2HB HIS 111 8.275 0.733 0.585 845 HB3 HIS 111 3HB HIS 111 9.764 -0.212 0.516 846 HD1 HIS 111 HD1 HIS 111 8.143 2.559 2.333 847 HD2 HIS 111 HD2 HIS 111 12.007 1.073 1.875 848 HE1 HIS 111 HE1 HIS 111 9.532 3.602 4.177 849 H SER 112 H SER 112 11.517 3.281 -0.239 850 HA SER 112 HA SER 112 13.835 1.487 -0.532 851 HB2 SER 112 2HB SER 112 14.865 2.937 -2.297 852 HB3 SER 112 3HB SER 112 13.451 2.046 -2.854 853 HG SER 112 HG SER 112 13.407 4.712 -1.872 854 H GLY 113 H GLY 113 15.892 2.702 -0.061 855 HA2 GLY 113 2HA GLY 113 17.108 4.445 1.005 856 HA3 GLY 113 3HA GLY 113 15.608 5.351 1.188 857 H LEU 114 H LEU 114 16.010 1.988 2.204 858 HA LEU 114 HA LEU 114 15.179 2.761 4.902 859 HB2 LEU 114 2HB LEU 114 15.594 0.166 3.452 860 HB3 LEU 114 3HB LEU 114 15.524 0.146 5.213 861 HG LEU 114 HG LEU 114 13.389 1.612 3.666 862 HD11 LEU 114 1HD1 LEU 114 13.481 -0.609 2.625 863 HD12 LEU 114 2HD1 LEU 114 12.044 -0.474 3.638 864 HD13 LEU 114 3HD1 LEU 114 13.447 -1.371 4.215 865 HD21 LEU 114 3HD2 LEU 114 12.033 0.907 5.637 866 HD22 LEU 114 1HD2 LEU 114 13.444 1.846 6.112 867 HD23 LEU 114 2HD2 LEU 114 13.451 0.095 6.297 868 HA PRO 115 HA PRO 115 19.119 3.009 6.937 869 HB2 PRO 115 2HB PRO 115 18.170 0.838 8.785 870 HB3 PRO 115 3HB PRO 115 18.857 2.428 9.174 871 HG2 PRO 115 2HG PRO 115 16.239 1.943 9.392 872 HG3 PRO 115 3HG PRO 115 16.856 3.518 8.859 873 HD2 PRO 115 2HD PRO 115 15.531 1.379 7.249 874 HD3 PRO 115 3HD PRO 115 15.562 3.141 7.006 875 H SER 116 H SER 116 17.951 -0.379 6.644 876 HA SER 116 HA SER 116 20.438 -1.135 5.289 877 HB2 SER 116 2HB SER 116 21.193 -1.251 7.603 878 HB3 SER 116 3HB SER 116 19.791 -2.223 8.042 879 HG SER 116 HG SER 116 20.631 -3.918 7.027 880 H ALA 117 H ALA 117 20.420 -3.611 4.946 881 HA ALA 117 HA ALA 117 17.994 -4.336 3.618 882 HB1 ALA 117 3HB ALA 117 20.079 -6.312 4.554 883 HB2 ALA 117 1HB ALA 117 20.396 -5.202 3.220 884 HB3 ALA 117 2HB ALA 117 19.088 -6.377 3.098 885 H GLU 118 H GLU 118 19.254 -5.029 6.835 886 HA GLU 118 HA GLU 118 17.527 -7.128 7.601 887 HB2 GLU 118 2HB GLU 118 18.636 -4.826 9.236 888 HB3 GLU 118 3HB GLU 118 17.853 -6.245 9.932 889 HG2 GLU 118 2HG GLU 118 19.540 -7.706 8.921 890 HG3 GLU 118 3HG GLU 118 20.304 -6.316 8.148 891 H GLN 119 H GLN 119 16.984 -3.621 7.619 892 HA GLN 119 HA GLN 119 14.411 -3.706 8.890 893 HB2 GLN 119 2HB GLN 119 15.546 -1.680 6.939 894 HB3 GLN 119 3HB GLN 119 14.129 -1.428 7.958 895 HG2 GLN 119 2HG GLN 119 16.915 -2.042 8.987 896 HG3 GLN 119 3HG GLN 119 16.191 -0.434 8.943 897 HE21 GLN 119 1HE2 GLN 119 16.832 -2.772 11.119 898 HE22 GLN 119 2HE2 GLN 119 15.489 -2.622 12.149 899 H CYS 120 H CYS 120 15.436 -3.925 5.511 900 HA CYS 120 HA CYS 120 12.863 -3.709 4.309 901 HB2 CYS 120 2HB CYS 120 15.309 -5.268 3.422 902 HB3 CYS 120 3HB CYS 120 13.911 -4.937 2.401 903 HG CYS 120 HG CYS 120 16.051 -2.881 3.230 904 H ALA 121 H ALA 121 14.623 -6.519 5.582 905 HA ALA 121 HA ALA 121 12.710 -8.488 4.756 906 HB1 ALA 121 3HB ALA 121 14.578 -8.526 7.145 907 HB2 ALA 121 1HB ALA 121 15.007 -9.041 5.513 908 HB3 ALA 121 2HB ALA 121 13.791 -9.932 6.429 909 H GLY 122 H GLY 122 13.078 -6.655 7.795 910 HA2 GLY 122 2HA GLY 122 10.812 -7.880 9.094 911 HA3 GLY 122 3HA GLY 122 11.573 -6.365 9.579 912 H HIS 123 H HIS 123 11.223 -4.886 7.225 913 HA HIS 123 HA HIS 123 8.515 -3.971 7.531 914 HB2 HIS 123 2HB HIS 123 10.707 -3.403 5.529 915 HB3 HIS 123 3HB HIS 123 9.111 -2.672 5.368 916 HD1 HIS 123 HD1 HIS 123 11.848 -2.998 8.014 917 HD2 HIS 123 HD2 HIS 123 8.819 -0.374 6.865 918 HE1 HIS 123 HE1 HIS 123 12.065 -0.958 9.501 919 H GLU 124 H GLU 124 10.134 -5.992 5.110 920 HA GLU 124 HA GLU 124 8.033 -6.182 3.228 921 HB2 GLU 124 2HB GLU 124 10.333 -7.069 2.889 922 HB3 GLU 124 3HB GLU 124 9.984 -8.356 4.042 923 HG2 GLU 124 2HG GLU 124 8.162 -9.171 2.613 924 HG3 GLU 124 3HG GLU 124 8.456 -7.857 1.472 925 H GLU 125 H GLU 125 8.660 -8.166 6.125 926 HA GLU 125 HA GLU 125 6.372 -9.879 5.745 927 HB2 GLU 125 2HB GLU 125 8.348 -10.403 7.209 928 HB3 GLU 125 3HB GLU 125 7.774 -9.179 8.341 929 HG2 GLU 125 2HG GLU 125 6.958 -11.298 9.130 930 HG3 GLU 125 3HG GLU 125 5.578 -10.448 8.440 931 H GLY 126 H GLY 126 6.893 -6.864 7.558 932 HA2 GLY 126 2HA GLY 126 4.326 -6.817 8.835 933 HA3 GLY 126 3HA GLY 126 5.351 -5.407 8.562 934 H TRP 127 H TRP 127 5.464 -5.214 5.841 935 HA TRP 127 HA TRP 127 2.929 -4.066 5.179 936 HB2 TRP 127 2HB TRP 127 5.322 -4.820 3.489 937 HB3 TRP 127 3HB TRP 127 3.892 -4.041 2.813 938 HD1 TRP 127 HD1 TRP 127 7.129 -3.203 4.232 939 HE1 TRP 127 HE1 TRP 127 7.212 -0.745 5.005 940 HE3 TRP 127 HE3 TRP 127 2.146 -2.090 4.171 941 HZ2 TRP 127 HZ2 TRP 127 5.403 1.410 5.529 942 HZ3 TRP 127 HZ3 TRP 127 1.355 0.169 4.812 943 HH2 TRP 127 HH2 TRP 127 2.975 1.918 5.490 944 H ALA 128 H ALA 128 4.358 -7.221 4.503 945 HA ALA 128 HA ALA 128 2.503 -8.140 2.566 946 HB1 ALA 128 3HB ALA 128 3.796 -9.792 4.754 947 HB2 ALA 128 1HB ALA 128 4.608 -9.320 3.261 948 HB3 ALA 128 2HB ALA 128 3.201 -10.381 3.202 949 H HIS 129 H HIS 129 2.370 -8.331 6.121 950 HA HIS 129 HA HIS 129 -0.147 -9.716 6.221 951 HB2 HIS 129 2HB HIS 129 1.254 -7.933 8.231 952 HB3 HIS 129 3HB HIS 129 -0.201 -8.861 8.593 953 HD1 HIS 129 HD1 HIS 129 0.171 -11.563 7.678 954 HD2 HIS 129 HD2 HIS 129 3.478 -9.375 8.970 955 HE1 HIS 129 HE1 HIS 129 1.965 -13.253 8.264 956 H TYR 130 H TYR 130 0.718 -6.273 6.337 957 HA TYR 130 HA TYR 130 -1.909 -5.257 6.798 958 HB2 TYR 130 2HB TYR 130 0.615 -4.143 5.590 959 HB3 TYR 130 3HB TYR 130 -0.872 -3.199 5.501 960 HD1 TYR 130 HD2 TYR 130 0.650 -5.412 8.153 961 HD2 TYR 130 HD1 TYR 130 -0.890 -1.529 7.137 962 HE1 TYR 130 HE2 TYR 130 0.972 -4.674 10.491 963 HE2 TYR 130 HE1 TYR 130 -0.561 -0.794 9.479 964 HH TYR 130 HH TYR 130 1.350 -2.276 11.624 965 H LEU 131 H LEU 131 -0.144 -5.856 3.763 966 HA LEU 131 HA LEU 131 -2.249 -4.999 2.024 967 HB2 LEU 131 2HB LEU 131 0.006 -6.982 1.624 968 HB3 LEU 131 3HB LEU 131 -1.053 -6.443 0.325 969 HG LEU 131 HG LEU 131 0.581 -4.563 2.058 970 HD11 LEU 131 1HD1 LEU 131 2.048 -6.060 0.761 971 HD12 LEU 131 2HD1 LEU 131 2.116 -4.413 0.133 972 HD13 LEU 131 3HD1 LEU 131 1.176 -5.642 -0.712 973 HD21 LEU 131 3HD2 LEU 131 -1.222 -4.240 -0.340 974 HD22 LEU 131 1HD2 LEU 131 0.145 -3.144 -0.147 975 HD23 LEU 131 2HD2 LEU 131 -1.091 -3.234 1.101 976 H GLY 132 H GLY 132 -1.456 -8.164 3.434 977 HA2 GLY 132 2HA GLY 132 -3.478 -9.641 2.042 978 HA3 GLY 132 3HA GLY 132 -2.734 -10.127 3.565 979 H ARG 133 H ARG 133 -3.510 -8.076 5.263 980 HA ARG 133 HA ARG 133 -6.215 -8.813 5.879 981 HB2 ARG 133 2HB ARG 133 -4.465 -6.538 6.845 982 HB3 ARG 133 3HB ARG 133 -6.073 -6.858 7.495 983 HG2 ARG 133 2HG ARG 133 -5.374 -9.133 8.129 984 HG3 ARG 133 3HG ARG 133 -3.768 -8.827 7.467 985 HD2 ARG 133 2HD ARG 133 -3.476 -6.962 9.072 986 HD3 ARG 133 3HD ARG 133 -5.061 -7.315 9.756 987 HE ARG 133 HE ARG 133 -2.611 -8.903 10.145 988 HH11 ARG 133 1HH2 ARG 133 -6.054 -8.681 10.326 989 HH12 ARG 133 2HH2 ARG 133 -6.201 -9.944 11.499 990 HH21 ARG 133 1HH1 ARG 133 -2.793 -10.553 11.671 991 HH22 ARG 133 2HH1 ARG 133 -4.358 -11.006 12.259 992 H LEU 134 H LEU 134 -4.801 -5.959 4.311 993 HA LEU 134 HA LEU 134 -7.237 -4.482 4.058 994 HB2 LEU 134 2HB LEU 134 -5.020 -3.455 3.715 995 HB3 LEU 134 3HB LEU 134 -4.772 -4.456 2.288 996 HG LEU 134 HG LEU 134 -6.686 -3.391 1.177 997 HD11 LEU 134 1HD1 LEU 134 -7.523 -1.217 2.437 998 HD12 LEU 134 2HD1 LEU 134 -7.008 -2.097 3.876 999 HD13 LEU 134 3HD1 LEU 134 -8.236 -2.784 2.813 1000 HD21 LEU 134 3HD2 LEU 134 -5.699 -1.167 0.882 1001 HD22 LEU 134 1HD2 LEU 134 -4.424 -2.378 0.997 1002 HD23 LEU 134 2HD2 LEU 134 -4.791 -1.351 2.382 1003 H THR 135 H THR 135 -5.677 -6.889 1.985 1004 HA THR 135 HA THR 135 -7.402 -6.670 -0.261 1005 HB THR 135 HB THR 135 -5.990 -9.119 0.840 1006 HG1 THR 135 HG1 THR 135 -4.913 -7.003 0.090 1007 HG21 THR 135 3HG2 THR 135 -6.085 -9.740 -1.664 1008 HG22 THR 135 1HG2 THR 135 -7.362 -8.531 -1.782 1009 HG23 THR 135 2HG2 THR 135 -7.566 -9.929 -0.726 1010 H GLU 136 H GLU 136 -7.676 -8.693 2.668 1011 HA GLU 136 HA GLU 136 -10.083 -10.030 1.890 1012 HB2 GLU 136 2HB GLU 136 -8.648 -10.745 3.796 1013 HB3 GLU 136 3HB GLU 136 -9.156 -9.310 4.689 1014 HG2 GLU 136 2HG GLU 136 -11.492 -10.055 4.605 1015 HG3 GLU 136 3HG GLU 136 -11.021 -11.464 3.655 1016 H VAL 137 H VAL 137 -9.500 -6.965 3.571 1017 HA VAL 137 HA VAL 137 -12.222 -6.397 4.243 1018 HB VAL 137 HB VAL 137 -9.888 -4.553 3.654 1019 HG11 VAL 137 1HG1 VAL 137 -11.299 -2.931 5.046 1020 HG12 VAL 137 2HG1 VAL 137 -12.655 -4.018 4.746 1021 HG13 VAL 137 3HG1 VAL 137 -11.848 -3.223 3.395 1022 HG21 VAL 137 3HG2 VAL 137 -9.565 -4.510 6.025 1023 HG22 VAL 137 1HG2 VAL 137 -9.764 -6.209 5.596 1024 HG23 VAL 137 2HG2 VAL 137 -11.105 -5.319 6.317 1025 H ALA 138 H ALA 138 -10.258 -5.507 1.409 1026 HA ALA 138 HA ALA 138 -12.322 -4.033 0.074 1027 HB1 ALA 138 3HB ALA 138 -9.861 -5.464 -0.951 1028 HB2 ALA 138 1HB ALA 138 -10.036 -3.740 -0.618 1029 HB3 ALA 138 2HB ALA 138 -10.896 -4.471 -1.972 1030 H ALA 139 H ALA 139 -11.365 -7.450 -0.052 1031 HA ALA 139 HA ALA 139 -13.519 -8.029 -2.004 1032 HB1 ALA 139 3HB ALA 139 -11.686 -10.014 -0.645 1033 HB2 ALA 139 1HB ALA 139 -11.198 -9.101 -2.072 1034 HB3 ALA 139 2HB ALA 139 -12.565 -10.214 -2.162 1035 H GLY 140 H GLY 140 -13.282 -7.657 1.291 1036 HA2 GLY 140 2HA GLY 140 -15.900 -8.773 1.773 1037 HA3 GLY 140 3HA GLY 140 -14.649 -9.814 2.454 1038 H ARG 141 H ARG 141 -16.323 -6.793 2.786 1039 HA ARG 141 HA ARG 141 -14.539 -5.643 4.764 1040 HB2 ARG 141 2HB ARG 141 -17.414 -5.061 4.018 1041 HB3 ARG 141 3HB ARG 141 -16.521 -4.136 5.225 1042 HG2 ARG 141 2HG ARG 141 -14.821 -3.557 3.541 1043 HG3 ARG 141 3HG ARG 141 -15.692 -4.499 2.330 1044 HD2 ARG 141 2HD ARG 141 -17.666 -3.039 2.620 1045 HD3 ARG 141 3HD ARG 141 -16.783 -2.085 3.809 1046 HE ARG 141 HE ARG 141 -16.346 -2.058 0.891 1047 HH11 ARG 141 1HH2 ARG 141 -15.242 -1.243 4.064 1048 HH12 ARG 141 2HH2 ARG 141 -14.200 0.024 3.512 1049 HH21 ARG 141 1HH1 ARG 141 -14.988 -0.410 0.166 1050 HH22 ARG 141 2HH1 ARG 141 -14.056 0.493 1.311 1051 H ASP 142 H ASP 142 -15.027 -5.388 7.034 1052 HA ASP 142 HA ASP 142 -15.608 -6.201 9.142 1053 HB2 ASP 142 2HB ASP 142 -18.055 -7.385 7.821 1054 HB3 ASP 142 3HB ASP 142 -17.873 -6.850 9.489 1055 HA PRO 143 HA PRO 143 -14.357 -10.515 7.809 1056 HB2 PRO 143 2HB PRO 143 -11.704 -10.387 8.454 1057 HB3 PRO 143 3HB PRO 143 -12.328 -9.884 6.870 1058 HG2 PRO 143 2HG PRO 143 -11.532 -8.209 9.205 1059 HG3 PRO 143 3HG PRO 143 -11.303 -7.911 7.472 1060 HD2 PRO 143 2HD PRO 143 -13.313 -6.740 8.990 1061 HD3 PRO 143 3HD PRO 143 -13.398 -6.968 7.229 1062 H GLY 144 H GLY 144 -14.495 -8.603 10.551 1063 HA2 GLY 144 2HA GLY 144 -15.225 -9.551 12.683 1064 HA3 GLY 144 3HA GLY 144 -14.257 -10.982 12.347 1065 HA PRO 145 HA PRO 145 -10.944 -7.670 13.412 1066 HB2 PRO 145 2HB PRO 145 -11.765 -5.116 13.988 1067 HB3 PRO 145 3HB PRO 145 -11.394 -5.668 12.343 1068 HG2 PRO 145 2HG PRO 145 -14.050 -5.372 13.684 1069 HG3 PRO 145 3HG PRO 145 -13.569 -4.946 12.030 1070 HD2 PRO 145 2HD PRO 145 -14.941 -7.238 12.606 1071 HD3 PRO 145 3HD PRO 145 -13.790 -7.126 11.257 1072 H ASP 146 H ASP 146 -10.080 -7.055 15.483 1073 HA ASP 146 HA ASP 146 -11.866 -6.740 17.786 1074 HB2 ASP 146 2HB ASP 146 -11.909 -9.170 17.567 1075 HB3 ASP 146 3HB ASP 146 -10.147 -9.222 17.476 1076 HA PRO 147 HA PRO 147 -7.709 -4.594 17.886 1077 HB2 PRO 147 2HB PRO 147 -9.415 -2.579 19.286 1078 HB3 PRO 147 3HB PRO 147 -8.241 -2.344 17.977 1079 HG2 PRO 147 2HG PRO 147 -10.876 -2.220 17.532 1080 HG3 PRO 147 3HG PRO 147 -9.762 -2.904 16.333 1081 HD2 PRO 147 2HD PRO 147 -11.630 -4.332 18.197 1082 HD3 PRO 147 3HD PRO 147 -11.168 -4.743 16.530 1083 H PHE 148 H PHE 148 -6.312 -4.544 19.652 1084 HA PHE 148 HA PHE 148 -7.352 -5.680 22.188 1085 HB2 PHE 148 2HB PHE 148 -4.539 -5.172 21.171 1086 HB3 PHE 148 3HB PHE 148 -4.914 -5.894 22.738 1087 HD1 PHE 148 HD2 PHE 148 -6.065 -8.090 22.870 1088 HD2 PHE 148 HD1 PHE 148 -4.815 -6.414 19.118 1089 HE1 PHE 148 HE2 PHE 148 -6.351 -10.303 21.787 1090 HE2 PHE 148 HE1 PHE 148 -5.102 -8.627 18.034 1091 HZ PHE 148 HZ PHE 148 -5.872 -10.571 19.369 1092 H TYR 149 H TYR 149 -8.456 -3.716 22.872 1093 HA TYR 149 HA TYR 149 -7.056 -1.214 23.217 1094 HB2 TYR 149 2HB TYR 149 -9.569 -1.530 23.080 1095 HB3 TYR 149 3HB TYR 149 -9.505 -2.150 24.730 1096 HD1 TYR 149 HD2 TYR 149 -8.985 0.817 22.589 1097 HD2 TYR 149 HD1 TYR 149 -9.054 -0.695 26.609 1098 HE1 TYR 149 HE2 TYR 149 -8.971 3.138 23.462 1099 HE2 TYR 149 HE1 TYR 149 -9.041 1.625 27.483 1100 HH TYR 149 HH TYR 149 -8.543 4.376 25.375 1101 H GLY 150 H GLY 150 -5.702 -0.610 24.850 1102 HA2 GLY 150 2HA GLY 150 -5.208 -2.522 27.062 1103 HA3 GLY 150 3HA GLY 150 -4.208 -1.129 26.657 1104 H ARG 151 H ARG 151 -6.583 -2.283 28.770 1105 HA ARG 151 HA ARG 151 -7.823 0.271 29.427 1106 HB2 ARG 151 2HB ARG 151 -8.957 -1.902 29.837 1107 HB3 ARG 151 3HB ARG 151 -7.722 -2.304 31.028 1108 HG2 ARG 151 2HG ARG 151 -8.360 -0.345 32.373 1109 HG3 ARG 151 3HG ARG 151 -9.571 0.097 31.170 1110 HD2 ARG 151 2HD ARG 151 -10.669 -2.128 31.550 1111 HD3 ARG 151 3HD ARG 151 -9.526 -2.418 32.861 1112 HE ARG 151 HE ARG 151 -10.790 0.096 33.313 1113 HH11 ARG 151 1HH2 ARG 151 -11.444 -3.293 33.208 1114 HH12 ARG 151 2HH2 ARG 151 -12.727 -3.212 34.369 1115 HH21 ARG 151 1HH1 ARG 151 -12.457 0.215 34.827 1116 HH22 ARG 151 2HH1 ARG 151 -13.300 -1.228 35.284 1117 H ARG 152 H ARG 152 -7.085 1.776 30.832 1118 HA ARG 152 HA ARG 152 -4.814 1.064 32.663 1119 HB2 ARG 152 2HB ARG 152 -5.169 3.573 30.994 1120 HB3 ARG 152 3HB ARG 152 -3.963 3.393 32.271 1121 HG2 ARG 152 2HG ARG 152 -3.009 1.441 31.086 1122 HG3 ARG 152 3HG ARG 152 -4.193 1.652 29.796 1123 HD2 ARG 152 2HD ARG 152 -2.191 3.768 30.636 1124 HD3 ARG 152 3HD ARG 152 -1.964 2.676 29.272 1125 HE ARG 152 HE ARG 152 -3.809 4.963 29.369 1126 HH11 ARG 152 1HH2 ARG 152 -2.886 1.979 27.898 1127 HH12 ARG 152 2HH2 ARG 152 -3.655 2.337 26.387 1128 HH21 ARG 152 1HH1 ARG 152 -4.811 5.443 27.403 1129 HH22 ARG 152 2HH1 ARG 152 -4.743 4.297 26.108 1130 H LEU 153 H LEU 153 -7.960 1.773 32.612 1131 HA LEU 153 HA LEU 153 -7.861 3.723 34.890 1132 HB2 LEU 153 2HB LEU 153 -9.295 4.126 32.757 1133 HB3 LEU 153 3HB LEU 153 -10.354 2.879 33.407 1134 HG LEU 153 HG LEU 153 -9.513 5.369 34.921 1135 HD11 LEU 153 1HD1 LEU 153 -12.065 4.730 33.417 1136 HD12 LEU 153 2HD1 LEU 153 -10.905 6.003 33.036 1137 HD13 LEU 153 3HD1 LEU 153 -11.866 6.102 34.509 1138 HD21 LEU 153 3HD2 LEU 153 -11.677 4.584 36.231 1139 HD22 LEU 153 1HD2 LEU 153 -10.124 3.831 36.573 1140 HD23 LEU 153 2HD2 LEU 153 -11.292 3.012 35.537 1141 H GLU 154 H GLU 154 -7.974 2.777 36.838 1142 HA GLU 154 HA GLU 154 -10.071 0.946 37.552 1143 HB2 GLU 154 2HB GLU 154 -8.561 -0.629 36.314 1144 HB3 GLU 154 3HB GLU 154 -7.285 -0.258 37.476 1145 HG2 GLU 154 2HG GLU 154 -8.683 -1.080 39.316 1146 HG3 GLU 154 3HG GLU 154 -10.009 -1.387 38.196 1147 H HIS 155 H HIS 155 -9.955 2.971 38.926 1148 HA HIS 155 HA HIS 155 -7.917 2.813 41.106 1149 HB2 HIS 155 2HB HIS 155 -9.932 4.962 40.374 1150 HB3 HIS 155 3HB HIS 155 -8.808 5.060 41.730 1151 HD1 HIS 155 HD1 HIS 155 -6.166 4.778 40.984 1152 HD2 HIS 155 HD2 HIS 155 -8.858 5.909 38.009 1153 HE1 HIS 155 HE1 HIS 155 -4.783 5.749 39.095 1154 H HIS 156 H HIS 156 -10.942 1.677 40.384 1155 HA HIS 156 HA HIS 156 -12.505 2.186 42.686 1156 HB2 HIS 156 2HB HIS 156 -13.384 1.092 40.665 1157 HB3 HIS 156 3HB HIS 156 -12.387 -0.326 40.990 1158 HD1 HIS 156 HD1 HIS 156 -15.103 1.709 42.742 1159 HD2 HIS 156 HD2 HIS 156 -13.659 -2.198 42.566 1160 HE1 HIS 156 HE1 HIS 156 -16.663 0.304 44.160 1161 H HIS 157 H HIS 157 -11.837 1.874 44.729 1162 HA HIS 157 HA HIS 157 -11.136 -0.767 45.685 1163 HB2 HIS 157 2HB HIS 157 -8.942 -0.141 44.757 1164 HB3 HIS 157 3HB HIS 157 -8.970 1.360 45.684 1165 HD1 HIS 157 HD1 HIS 157 -9.071 -2.404 46.292 1166 HD2 HIS 157 HD2 HIS 157 -7.934 1.101 48.242 1167 HE1 HIS 157 HE1 HIS 157 -7.988 -3.113 48.469 1168 H HIS 158 H HIS 158 -12.091 2.434 46.035 1169 HA HIS 158 HA HIS 158 -11.652 2.915 48.817 1170 HB2 HIS 158 2HB HIS 158 -12.410 4.630 47.137 1171 HB3 HIS 158 3HB HIS 158 -13.996 3.859 47.138 1172 HD1 HIS 158 HD1 HIS 158 -15.362 3.948 49.404 1173 HD2 HIS 158 HD2 HIS 158 -11.889 6.252 49.374 1174 HE1 HIS 158 HE1 HIS 158 -15.518 5.506 51.394 1175 H HIS 159 H HIS 159 -14.322 1.348 47.071 1176 HA HIS 159 HA HIS 159 -15.988 0.910 49.359 1177 HB2 HIS 159 2HB HIS 159 -16.772 0.686 47.007 1178 HB3 HIS 159 3HB HIS 159 -15.772 -0.758 46.837 1179 HD1 HIS 159 HD1 HIS 159 -16.562 -2.913 48.005 1180 HD2 HIS 159 HD2 HIS 159 -19.065 0.348 48.697 1181 HE1 HIS 159 HE1 HIS 159 -18.657 -3.835 49.090 1182 H HIS 160 H HIS 160 -13.521 -1.117 47.791 1183 HA HIS 160 HA HIS 160 -13.810 -3.212 49.829 1184 HB2 HIS 160 2HB HIS 160 -11.828 -2.840 47.565 1185 HB3 HIS 160 3HB HIS 160 -11.899 -4.264 48.603 1186 HD1 HIS 160 HD1 HIS 160 -14.276 -5.576 48.571 1187 HD2 HIS 160 HD2 HIS 160 -13.617 -2.907 45.438 1188 HE1 HIS 160 HE1 HIS 160 -15.941 -6.175 46.758 Start of MODEL 6 1 H1 MET 1 1H MET 1 28.496 -4.196 -5.072 2 H2 MET 1 2H MET 1 27.506 -4.434 -3.712 3 H3 MET 1 3H MET 1 28.565 -3.106 -3.774 4 HA MET 1 HA MET 1 26.409 -3.471 -5.764 5 HB2 MET 1 2HB MET 1 25.239 -1.683 -4.255 6 HB3 MET 1 3HB MET 1 25.131 -3.383 -3.799 7 HG2 MET 1 2HG MET 1 26.972 -3.119 -2.217 8 HG3 MET 1 3HG MET 1 27.195 -1.443 -2.720 9 HE1 MET 1 3HE MET 1 27.045 -0.515 -0.410 10 HE2 MET 1 1HE MET 1 26.881 -2.138 0.275 11 HE3 MET 1 2HE MET 1 25.781 -0.853 0.770 12 H GLU 2 H GLU 2 25.665 -0.922 -6.027 13 HA GLU 2 HA GLU 2 27.893 0.301 -7.371 14 HB2 GLU 2 2HB GLU 2 25.157 1.383 -6.641 15 HB3 GLU 2 3HB GLU 2 26.299 2.206 -7.704 16 HG2 GLU 2 2HG GLU 2 25.233 -0.593 -8.179 17 HG3 GLU 2 3HG GLU 2 24.597 0.858 -8.955 18 H LYS 3 H LYS 3 29.288 1.853 -6.703 19 HA LYS 3 HA LYS 3 29.341 2.549 -3.851 20 HB2 LYS 3 2HB LYS 3 31.157 3.212 -6.184 21 HB3 LYS 3 3HB LYS 3 31.465 3.723 -4.525 22 HG2 LYS 3 2HG LYS 3 31.534 1.388 -3.785 23 HG3 LYS 3 3HG LYS 3 31.120 0.844 -5.408 24 HD2 LYS 3 2HD LYS 3 33.453 0.595 -5.386 25 HD3 LYS 3 3HD LYS 3 33.256 2.172 -6.142 26 HE2 LYS 3 2HE LYS 3 35.008 2.194 -4.380 27 HE3 LYS 3 3HE LYS 3 33.677 3.281 -3.990 28 HZ1 LYS 3 3HZ LYS 3 33.270 2.137 -2.155 29 HZ2 LYS 3 1HZ LYS 3 34.649 1.197 -2.454 30 HZ3 LYS 3 2HZ LYS 3 33.133 0.683 -3.022 31 H ALA 4 H ALA 4 30.053 4.705 -6.575 32 HA ALA 4 HA ALA 4 28.946 6.983 -5.194 33 HB1 ALA 4 3HB ALA 4 30.832 7.021 -6.883 34 HB2 ALA 4 1HB ALA 4 29.585 8.245 -7.126 35 HB3 ALA 4 2HB ALA 4 29.612 6.801 -8.138 36 H MET 5 H MET 5 27.060 8.145 -5.635 37 HA MET 5 HA MET 5 24.753 8.272 -6.027 38 HB2 MET 5 2HB MET 5 25.906 8.900 -8.235 39 HB3 MET 5 3HB MET 5 25.463 7.286 -8.792 40 HG2 MET 5 2HG MET 5 23.647 8.614 -9.491 41 HG3 MET 5 3HG MET 5 23.069 7.903 -7.985 42 HE1 MET 5 3HE MET 5 21.613 11.556 -8.175 43 HE2 MET 5 1HE MET 5 21.203 9.854 -7.922 44 HE3 MET 5 2HE MET 5 21.903 10.377 -9.451 45 HA PRO 6 HA PRO 6 24.311 3.577 -5.885 46 HB2 PRO 6 2HB PRO 6 23.576 3.370 -3.249 47 HB3 PRO 6 3HB PRO 6 25.266 3.325 -3.792 48 HG2 PRO 6 2HG PRO 6 23.712 5.601 -2.635 49 HG3 PRO 6 3HG PRO 6 25.384 5.101 -2.318 50 HD2 PRO 6 2HD PRO 6 24.764 7.178 -3.984 51 HD3 PRO 6 3HD PRO 6 26.206 6.167 -4.215 52 H GLU 7 H GLU 7 22.329 2.559 -6.147 53 HA GLU 7 HA GLU 7 19.910 4.286 -5.955 54 HB2 GLU 7 2HB GLU 7 18.878 2.605 -7.436 55 HB3 GLU 7 3HB GLU 7 20.381 3.214 -8.128 56 HG2 GLU 7 2HG GLU 7 21.579 1.235 -7.232 57 HG3 GLU 7 3HG GLU 7 20.052 0.611 -6.606 58 H SER 8 H SER 8 21.512 2.026 -4.127 59 HA SER 8 HA SER 8 20.901 0.625 -2.360 60 HB2 SER 8 2HB SER 8 19.067 1.447 -0.956 61 HB3 SER 8 3HB SER 8 20.081 2.783 -1.487 62 HG SER 8 HG SER 8 18.539 3.189 -3.122 63 H PHE 9 H PHE 9 19.085 -0.835 -1.498 64 HA PHE 9 HA PHE 9 18.046 -2.370 -3.723 65 HB2 PHE 9 2HB PHE 9 18.847 -3.371 -1.569 66 HB3 PHE 9 3HB PHE 9 17.439 -2.667 -0.771 67 HD1 PHE 9 HD1 PHE 9 18.498 -4.986 -3.474 68 HD2 PHE 9 HD2 PHE 9 15.296 -3.696 -0.928 69 HE1 PHE 9 HE1 PHE 9 17.129 -6.918 -4.221 70 HE2 PHE 9 HE2 PHE 9 13.922 -5.626 -1.668 71 HZ PHE 9 HZ PHE 9 14.840 -7.236 -3.317 72 H VAL 10 H VAL 10 15.887 -2.622 -4.337 73 HA VAL 10 HA VAL 10 13.916 -0.704 -3.129 74 HB VAL 10 HB VAL 10 14.350 -1.474 -6.026 75 HG11 VAL 10 1HG1 VAL 10 12.036 -0.100 -4.648 76 HG12 VAL 10 2HG1 VAL 10 11.985 -1.463 -5.768 77 HG13 VAL 10 3HG1 VAL 10 12.379 0.152 -6.360 78 HG21 VAL 10 3HG2 VAL 10 14.509 1.038 -6.235 79 HG22 VAL 10 1HG2 VAL 10 15.806 0.310 -5.287 80 HG23 VAL 10 2HG2 VAL 10 14.472 1.127 -4.475 81 H VAL 11 H VAL 11 12.007 -1.601 -2.537 82 HA VAL 11 HA VAL 11 11.640 -4.521 -3.036 83 HB VAL 11 HB VAL 11 10.253 -2.662 -1.086 84 HG11 VAL 11 1HG1 VAL 11 8.849 -4.561 -1.679 85 HG12 VAL 11 2HG1 VAL 11 9.495 -4.818 -0.062 86 HG13 VAL 11 3HG1 VAL 11 10.194 -5.674 -1.433 87 HG21 VAL 11 3HG2 VAL 11 12.822 -3.278 -0.827 88 HG22 VAL 11 1HG2 VAL 11 12.188 -4.835 -0.294 89 HG23 VAL 11 2HG2 VAL 11 11.751 -3.358 0.567 90 H ARG 12 H ARG 12 10.015 -5.212 -4.328 91 HA ARG 12 HA ARG 12 7.925 -3.237 -5.199 92 HB2 ARG 12 2HB ARG 12 9.331 -5.397 -6.799 93 HB3 ARG 12 3HB ARG 12 7.942 -4.472 -7.378 94 HG2 ARG 12 2HG ARG 12 9.198 -2.384 -7.143 95 HG3 ARG 12 3HG ARG 12 10.575 -3.264 -6.480 96 HD2 ARG 12 2HD ARG 12 10.979 -2.829 -8.844 97 HD3 ARG 12 3HD ARG 12 10.721 -4.558 -8.615 98 HE ARG 12 HE ARG 12 8.218 -3.298 -9.211 99 HH11 ARG 12 1HH2 ARG 12 11.255 -4.172 -10.600 100 HH12 ARG 12 2HH2 ARG 12 10.616 -4.361 -12.198 101 HH21 ARG 12 1HH1 ARG 12 7.374 -3.539 -11.286 102 HH22 ARG 12 2HH1 ARG 12 8.419 -4.002 -12.587 103 H ARG 13 H ARG 13 5.921 -3.894 -4.646 104 HA ARG 13 HA ARG 13 5.374 -6.833 -4.438 105 HB2 ARG 13 2HB ARG 13 4.604 -4.658 -2.475 106 HB3 ARG 13 3HB ARG 13 3.910 -6.276 -2.459 107 HG2 ARG 13 2HG ARG 13 6.906 -5.922 -2.397 108 HG3 ARG 13 3HG ARG 13 5.967 -5.751 -0.917 109 HD2 ARG 13 2HD ARG 13 5.966 -8.197 -2.722 110 HD3 ARG 13 3HD ARG 13 6.768 -8.065 -1.162 111 HE ARG 13 HE ARG 13 4.098 -7.404 -0.669 112 HH11 ARG 13 1HH2 ARG 13 5.887 -10.048 -1.980 113 HH12 ARG 13 2HH2 ARG 13 4.752 -11.245 -1.450 114 HH21 ARG 13 1HH1 ARG 13 2.614 -8.947 0.023 115 HH22 ARG 13 2HH1 ARG 13 2.899 -10.623 -0.316 116 H GLU 14 H GLU 14 3.197 -7.417 -4.830 117 HA GLU 14 HA GLU 14 1.427 -5.295 -5.944 118 HB2 GLU 14 2HB GLU 14 2.308 -7.827 -7.356 119 HB3 GLU 14 3HB GLU 14 0.924 -6.856 -7.868 120 HG2 GLU 14 2HG GLU 14 2.378 -4.898 -8.147 121 HG3 GLU 14 3HG GLU 14 3.765 -5.833 -7.589 122 H ALA 15 H ALA 15 -0.797 -5.879 -5.929 123 HA ALA 15 HA ALA 15 -1.595 -8.484 -4.834 124 HB1 ALA 15 3HB ALA 15 -1.003 -7.139 -2.807 125 HB2 ALA 15 1HB ALA 15 -2.711 -7.570 -2.866 126 HB3 ALA 15 2HB ALA 15 -2.199 -5.939 -3.295 127 H HIS 16 H HIS 16 -3.887 -8.816 -5.061 128 HA HIS 16 HA HIS 16 -5.195 -6.873 -6.934 129 HB2 HIS 16 2HB HIS 16 -5.639 -9.839 -6.498 130 HB3 HIS 16 3HB HIS 16 -6.573 -8.836 -7.609 131 HD1 HIS 16 HD1 HIS 16 -4.837 -7.363 -9.301 132 HD2 HIS 16 HD2 HIS 16 -3.510 -11.015 -7.795 133 HE1 HIS 16 HE1 HIS 16 -2.941 -8.108 -10.803 134 H LEU 17 H LEU 17 -6.826 -5.712 -6.063 135 HA LEU 17 HA LEU 17 -8.203 -6.768 -3.619 136 HB2 LEU 17 2HB LEU 17 -7.915 -3.920 -4.621 137 HB3 LEU 17 3HB LEU 17 -8.758 -4.414 -3.155 138 HG LEU 17 HG LEU 17 -6.371 -5.632 -2.691 139 HD11 LEU 17 1HD1 LEU 17 -5.353 -4.812 -4.784 140 HD12 LEU 17 2HD1 LEU 17 -4.541 -4.126 -3.379 141 HD13 LEU 17 3HD1 LEU 17 -5.685 -3.150 -4.300 142 HD21 LEU 17 3HD2 LEU 17 -7.161 -2.763 -2.137 143 HD22 LEU 17 1HD2 LEU 17 -5.730 -3.511 -1.426 144 HD23 LEU 17 2HD2 LEU 17 -7.331 -4.159 -1.074 145 H ALA 18 H ALA 18 -10.328 -7.189 -3.742 146 HA ALA 18 HA ALA 18 -11.688 -6.853 -6.322 147 HB1 ALA 18 3HB ALA 18 -12.847 -7.954 -3.755 148 HB2 ALA 18 1HB ALA 18 -11.822 -8.914 -4.820 149 HB3 ALA 18 2HB ALA 18 -13.364 -8.290 -5.407 150 H ALA 19 H ALA 19 -11.654 -4.439 -6.157 151 HA ALA 19 HA ALA 19 -14.195 -3.427 -5.367 152 HB1 ALA 19 3HB ALA 19 -13.689 -3.324 -3.097 153 HB2 ALA 19 1HB ALA 19 -13.037 -1.764 -3.598 154 HB3 ALA 19 2HB ALA 19 -11.959 -3.142 -3.386 155 HA PRO 20 HA PRO 20 -12.842 -0.339 -8.239 156 HB2 PRO 20 2HB PRO 20 -14.223 1.897 -7.313 157 HB3 PRO 20 3HB PRO 20 -14.948 0.604 -8.286 158 HG2 PRO 20 2HG PRO 20 -15.041 1.025 -5.332 159 HG3 PRO 20 3HG PRO 20 -16.315 0.469 -6.434 160 HD2 PRO 20 2HD PRO 20 -14.944 -1.258 -4.856 161 HD3 PRO 20 3HD PRO 20 -15.514 -1.721 -6.475 162 HA PRO 21 HA PRO 21 -9.435 1.932 -6.542 163 HB2 PRO 21 2HB PRO 21 -9.441 4.240 -8.074 164 HB3 PRO 21 3HB PRO 21 -8.864 2.668 -8.661 165 HG2 PRO 21 2HG PRO 21 -11.512 3.986 -9.088 166 HG3 PRO 21 3HG PRO 21 -10.502 3.087 -10.238 167 HD2 PRO 21 2HD PRO 21 -12.666 1.956 -9.064 168 HD3 PRO 21 3HD PRO 21 -11.208 1.008 -9.439 169 H ALA 22 H ALA 22 -12.514 3.609 -6.779 170 HA ALA 22 HA ALA 22 -11.879 5.874 -5.146 171 HB1 ALA 22 3HB ALA 22 -14.232 6.248 -5.060 172 HB2 ALA 22 1HB ALA 22 -14.587 4.538 -5.309 173 HB3 ALA 22 2HB ALA 22 -13.934 5.504 -6.632 174 H ALA 23 H ALA 23 -13.102 2.636 -4.370 175 HA ALA 23 HA ALA 23 -13.540 3.153 -1.573 176 HB1 ALA 23 3HB ALA 23 -13.023 0.581 -3.089 177 HB2 ALA 23 1HB ALA 23 -14.594 1.246 -2.639 178 HB3 ALA 23 2HB ALA 23 -13.498 0.648 -1.392 179 H VAL 24 H VAL 24 -10.762 1.941 -3.419 180 HA VAL 24 HA VAL 24 -9.139 1.212 -1.185 181 HB VAL 24 HB VAL 24 -8.390 2.173 -3.958 182 HG11 VAL 24 1HG1 VAL 24 -6.726 1.052 -1.698 183 HG12 VAL 24 2HG1 VAL 24 -6.448 2.520 -2.634 184 HG13 VAL 24 3HG1 VAL 24 -6.209 0.940 -3.381 185 HG21 VAL 24 3HG2 VAL 24 -8.201 -0.145 -4.510 186 HG22 VAL 24 1HG2 VAL 24 -9.736 0.018 -3.658 187 HG23 VAL 24 2HG2 VAL 24 -8.328 -0.632 -2.819 188 H PHE 25 H PHE 25 -9.335 4.249 -3.038 189 HA PHE 25 HA PHE 25 -7.360 5.669 -1.545 190 HB2 PHE 25 2HB PHE 25 -8.213 6.452 -3.719 191 HB3 PHE 25 3HB PHE 25 -9.792 6.752 -2.991 192 HD1 PHE 25 HD2 PHE 25 -6.170 7.566 -2.478 193 HD2 PHE 25 HD1 PHE 25 -10.243 8.877 -2.099 194 HE1 PHE 25 HE2 PHE 25 -5.383 9.782 -1.695 195 HE2 PHE 25 HE1 PHE 25 -9.456 11.093 -1.312 196 HZ PHE 25 HZ PHE 25 -7.026 11.546 -1.111 197 H ALA 26 H ALA 26 -10.893 5.446 -1.129 198 HA ALA 26 HA ALA 26 -11.163 7.306 0.984 199 HB1 ALA 26 3HB ALA 26 -13.258 6.266 1.439 200 HB2 ALA 26 1HB ALA 26 -12.704 4.709 0.821 201 HB3 ALA 26 2HB ALA 26 -13.000 6.046 -0.291 202 H LEU 27 H LEU 27 -10.233 3.891 1.034 203 HA LEU 27 HA LEU 27 -10.215 3.583 3.873 204 HB2 LEU 27 2HB LEU 27 -8.685 2.198 1.668 205 HB3 LEU 27 3HB LEU 27 -8.588 1.692 3.352 206 HG LEU 27 HG LEU 27 -11.201 1.936 1.824 207 HD11 LEU 27 1HD1 LEU 27 -11.129 -0.449 1.467 208 HD12 LEU 27 2HD1 LEU 27 -9.647 -0.600 2.409 209 HD13 LEU 27 3HD1 LEU 27 -9.622 0.222 0.853 210 HD21 LEU 27 3HD2 LEU 27 -10.406 0.941 4.557 211 HD22 LEU 27 1HD2 LEU 27 -11.780 0.199 3.745 212 HD23 LEU 27 2HD2 LEU 27 -11.790 1.920 4.087 213 H MET 28 H MET 28 -7.705 4.599 1.588 214 HA MET 28 HA MET 28 -5.739 4.958 3.730 215 HB2 MET 28 2HB MET 28 -5.742 5.731 0.801 216 HB3 MET 28 3HB MET 28 -4.369 5.965 1.884 217 HG2 MET 28 2HG MET 28 -4.373 3.521 2.363 218 HG3 MET 28 3HG MET 28 -5.677 3.314 1.194 219 HE1 MET 28 3HE MET 28 -4.640 5.380 -1.401 220 HE2 MET 28 1HE MET 28 -5.710 4.029 -1.007 221 HE3 MET 28 2HE MET 28 -4.388 3.804 -2.147 222 H THR 29 H THR 29 -8.398 6.690 2.648 223 HA THR 29 HA THR 29 -7.220 9.313 3.506 224 HB THR 29 HB THR 29 -9.789 8.905 1.968 225 HG1 THR 29 HG1 THR 29 -7.169 9.401 1.005 226 HG21 THR 29 3HG2 THR 29 -7.916 11.257 2.355 227 HG22 THR 29 1HG2 THR 29 -9.524 11.078 3.062 228 HG23 THR 29 2HG2 THR 29 -9.342 11.260 1.318 229 H ASP 30 H ASP 30 -7.561 8.260 5.709 230 HA ASP 30 HA ASP 30 -9.452 9.542 7.187 231 HB2 ASP 30 2HB ASP 30 -10.686 7.251 5.782 232 HB3 ASP 30 3HB ASP 30 -11.017 7.277 7.508 233 HA PRO 31 HA PRO 31 -6.887 7.258 10.078 234 HB2 PRO 31 2HB PRO 31 -7.880 8.210 12.425 235 HB3 PRO 31 3HB PRO 31 -6.918 9.220 11.329 236 HG2 PRO 31 2HG PRO 31 -9.886 9.098 11.658 237 HG3 PRO 31 3HG PRO 31 -8.831 10.516 11.501 238 HD2 PRO 31 2HD PRO 31 -10.262 9.496 9.397 239 HD3 PRO 31 3HD PRO 31 -8.704 10.334 9.195 240 H GLU 32 H GLU 32 -10.412 7.235 10.549 241 HA GLU 32 HA GLU 32 -10.446 4.972 12.338 242 HB2 GLU 32 2HB GLU 32 -12.595 6.133 10.547 243 HB3 GLU 32 3HB GLU 32 -12.879 4.904 11.778 244 HG2 GLU 32 2HG GLU 32 -11.716 7.655 12.319 245 HG3 GLU 32 3HG GLU 32 -13.399 7.202 12.590 246 H LYS 33 H LYS 33 -10.947 5.304 8.830 247 HA LYS 33 HA LYS 33 -11.542 2.546 8.356 248 HB2 LYS 33 2HB LYS 33 -10.363 4.651 6.531 249 HB3 LYS 33 3HB LYS 33 -10.899 3.059 5.998 250 HG2 LYS 33 2HG LYS 33 -13.173 3.550 6.866 251 HG3 LYS 33 3HG LYS 33 -12.629 5.164 7.327 252 HD2 LYS 33 2HD LYS 33 -12.057 5.632 4.958 253 HD3 LYS 33 3HD LYS 33 -12.641 4.039 4.512 254 HE2 LYS 33 2HE LYS 33 -14.884 4.615 5.344 255 HE3 LYS 33 3HE LYS 33 -14.302 6.215 5.805 256 HZ1 LYS 33 3HZ LYS 33 -14.951 5.166 3.187 257 HZ2 LYS 33 1HZ LYS 33 -13.517 6.070 3.251 258 HZ3 LYS 33 2HZ LYS 33 -14.982 6.767 3.758 259 H ILE 34 H ILE 34 -8.488 4.333 8.393 260 HA ILE 34 HA ILE 34 -6.821 2.240 7.397 261 HB ILE 34 HB ILE 34 -6.267 4.587 9.224 262 HG12 ILE 34 2HG1 ILE 34 -5.414 4.146 6.357 263 HG13 ILE 34 3HG1 ILE 34 -6.967 4.874 6.758 264 HG21 ILE 34 1HG2 ILE 34 -4.529 3.049 9.735 265 HG22 ILE 34 2HG2 ILE 34 -3.842 4.132 8.525 266 HG23 ILE 34 3HG2 ILE 34 -4.394 2.523 8.057 267 HD11 ILE 34 3HD1 ILE 34 -5.717 6.576 8.145 268 HD12 ILE 34 1HD1 ILE 34 -5.378 6.665 6.417 269 HD13 ILE 34 2HD1 ILE 34 -4.216 5.907 7.505 270 H LEU 35 H LEU 35 -7.820 3.075 10.701 271 HA LEU 35 HA LEU 35 -6.216 1.178 12.075 272 HB2 LEU 35 2HB LEU 35 -8.914 2.382 12.705 273 HB3 LEU 35 3HB LEU 35 -8.048 1.354 13.840 274 HG LEU 35 HG LEU 35 -6.835 3.841 12.594 275 HD11 LEU 35 1HD1 LEU 35 -8.767 4.552 13.878 276 HD12 LEU 35 2HD1 LEU 35 -7.318 4.918 14.811 277 HD13 LEU 35 3HD1 LEU 35 -8.305 3.517 15.229 278 HD21 LEU 35 3HD2 LEU 35 -6.026 1.909 14.761 279 HD22 LEU 35 1HD2 LEU 35 -5.474 3.575 14.841 280 HD23 LEU 35 2HD2 LEU 35 -5.053 2.582 13.459 281 H ARG 36 H ARG 36 -9.068 0.708 10.138 282 HA ARG 36 HA ARG 36 -10.010 -1.719 11.310 283 HB2 ARG 36 2HB ARG 36 -10.119 -0.739 8.446 284 HB3 ARG 36 3HB ARG 36 -10.987 -2.153 9.036 285 HG2 ARG 36 2HG ARG 36 -12.209 -0.780 10.646 286 HG3 ARG 36 3HG ARG 36 -11.291 0.646 10.159 287 HD2 ARG 36 2HD ARG 36 -13.450 0.674 9.025 288 HD3 ARG 36 3HD ARG 36 -12.184 0.371 7.836 289 HE ARG 36 HE ARG 36 -13.198 -2.121 8.835 290 HH11 ARG 36 1HH2 ARG 36 -13.956 0.577 6.818 291 HH12 ARG 36 2HH2 ARG 36 -15.018 -0.325 5.789 292 HH21 ARG 36 1HH1 ARG 36 -14.577 -3.305 7.501 293 HH22 ARG 36 2HH1 ARG 36 -15.370 -2.520 6.176 294 H TRP 37 H TRP 37 -7.510 -1.119 8.845 295 HA TRP 37 HA TRP 37 -6.714 -4.011 9.072 296 HB2 TRP 37 2HB TRP 37 -5.914 -3.827 6.727 297 HB3 TRP 37 3HB TRP 37 -7.651 -3.584 6.862 298 HD1 TRP 37 HD1 TRP 37 -8.557 -1.053 6.648 299 HE1 TRP 37 HE1 TRP 37 -7.562 0.983 5.417 300 HE3 TRP 37 HE3 TRP 37 -3.750 -2.658 6.036 301 HZ2 TRP 37 HZ2 TRP 37 -5.056 1.818 4.314 302 HZ3 TRP 37 HZ3 TRP 37 -2.081 -1.228 4.891 303 HH2 TRP 37 HH2 TRP 37 -2.727 1.006 4.030 304 H MET 38 H MET 38 -5.789 -1.405 10.459 305 HA MET 38 HA MET 38 -2.889 -1.932 9.995 306 HB2 MET 38 2HB MET 38 -3.831 0.198 8.770 307 HB3 MET 38 3HB MET 38 -3.816 0.915 10.378 308 HG2 MET 38 2HG MET 38 -1.392 0.208 10.579 309 HG3 MET 38 3HG MET 38 -1.460 -0.280 8.890 310 HE1 MET 38 3HE MET 38 -2.322 1.000 7.135 311 HE2 MET 38 1HE MET 38 -0.659 1.580 6.966 312 HE3 MET 38 2HE MET 38 -2.006 2.708 6.848 313 H GLY 39 H GLY 39 -2.650 0.624 11.767 314 HA2 GLY 39 2HA GLY 39 -2.087 -0.669 14.204 315 HA3 GLY 39 3HA GLY 39 -2.327 1.067 14.026 316 H THR 40 H THR 40 -3.157 0.134 16.326 317 HA THR 40 HA THR 40 -6.090 -0.407 16.136 318 HB THR 40 HB THR 40 -5.255 -1.993 17.627 319 HG1 THR 40 HG1 THR 40 -5.767 0.372 19.078 320 HG21 THR 40 3HG2 THR 40 -2.928 -1.370 17.536 321 HG22 THR 40 1HG2 THR 40 -3.384 -1.449 19.237 322 HG23 THR 40 2HG2 THR 40 -3.236 0.116 18.435 323 H GLU 41 H GLU 41 -3.773 2.028 16.757 324 HA GLU 41 HA GLU 41 -5.932 3.901 17.536 325 HB2 GLU 41 2HB GLU 41 -3.416 3.462 19.171 326 HB3 GLU 41 3HB GLU 41 -4.482 4.857 19.351 327 HG2 GLU 41 2HG GLU 41 -6.381 3.327 19.838 328 HG3 GLU 41 3HG GLU 41 -5.280 1.957 19.732 329 H ALA 42 H ALA 42 -5.720 5.547 16.113 330 HA ALA 42 HA ALA 42 -3.219 6.930 15.762 331 HB1 ALA 42 3HB ALA 42 -2.841 6.438 13.398 332 HB2 ALA 42 1HB ALA 42 -4.207 5.319 13.395 333 HB3 ALA 42 2HB ALA 42 -2.763 4.952 14.346 334 H GLU 43 H GLU 43 -3.494 8.870 14.517 335 HA GLU 43 HA GLU 43 -6.258 9.443 13.566 336 HB2 GLU 43 2HB GLU 43 -6.132 11.665 14.755 337 HB3 GLU 43 3HB GLU 43 -6.293 10.276 15.829 338 HG2 GLU 43 2HG GLU 43 -3.603 11.454 15.105 339 HG3 GLU 43 3HG GLU 43 -4.536 12.011 16.494 340 H VAL 44 H VAL 44 -6.321 11.486 12.292 341 HA VAL 44 HA VAL 44 -3.692 12.015 10.937 342 HB VAL 44 HB VAL 44 -6.508 11.844 9.842 343 HG11 VAL 44 1HG1 VAL 44 -5.265 12.441 7.633 344 HG12 VAL 44 2HG1 VAL 44 -4.032 13.133 8.687 345 HG13 VAL 44 3HG1 VAL 44 -5.681 13.755 8.731 346 HG21 VAL 44 3HG2 VAL 44 -3.956 10.516 8.904 347 HG22 VAL 44 1HG2 VAL 44 -5.614 10.085 8.491 348 HG23 VAL 44 2HG2 VAL 44 -5.006 9.790 10.120 349 H GLU 45 H GLU 45 -3.040 14.085 10.928 350 HA GLU 45 HA GLU 45 -4.889 16.330 11.025 351 HB2 GLU 45 2HB GLU 45 -3.556 17.115 13.229 352 HB3 GLU 45 3HB GLU 45 -5.047 16.187 13.333 353 HG2 GLU 45 2HG GLU 45 -3.208 15.286 14.775 354 HG3 GLU 45 3HG GLU 45 -3.811 14.118 13.606 355 HA PRO 46 HA PRO 46 -0.807 16.923 8.819 356 HB2 PRO 46 2HB PRO 46 -2.635 18.817 7.375 357 HB3 PRO 46 3HB PRO 46 -1.445 17.677 6.713 358 HG2 PRO 46 2HG PRO 46 -4.034 17.141 6.580 359 HG3 PRO 46 3HG PRO 46 -2.866 15.858 6.954 360 HD2 PRO 46 2HD PRO 46 -4.716 17.322 8.816 361 HD3 PRO 46 3HD PRO 46 -4.254 15.604 8.811 362 H GLU 47 H GLU 47 -3.185 19.414 9.730 363 HA GLU 47 HA GLU 47 -0.935 21.232 10.505 364 HB2 GLU 47 2HB GLU 47 -3.191 21.683 8.870 365 HB3 GLU 47 3HB GLU 47 -3.592 22.491 10.381 366 HG2 GLU 47 2HG GLU 47 -1.329 23.613 10.278 367 HG3 GLU 47 3HG GLU 47 -1.139 22.938 8.660 368 HA PRO 48 HA PRO 48 -4.321 21.311 14.048 369 HB2 PRO 48 2HB PRO 48 -5.350 18.520 13.755 370 HB3 PRO 48 3HB PRO 48 -6.232 20.014 14.125 371 HG2 PRO 48 2HG PRO 48 -6.412 18.883 11.726 372 HG3 PRO 48 3HG PRO 48 -6.355 20.648 11.903 373 HD2 PRO 48 2HD PRO 48 -4.163 18.770 11.078 374 HD3 PRO 48 3HD PRO 48 -4.571 20.368 10.426 375 H GLY 49 H GLY 49 -4.031 20.463 16.215 376 HA2 GLY 49 2HA GLY 49 -1.486 19.006 16.510 377 HA3 GLY 49 3HA GLY 49 -2.408 19.764 17.810 378 H GLY 50 H GLY 50 -4.829 18.308 16.475 379 HA2 GLY 50 2HA GLY 50 -6.093 16.462 17.233 380 HA3 GLY 50 3HA GLY 50 -4.769 15.586 16.481 381 H LEU 51 H LEU 51 -4.619 13.894 17.924 382 HA LEU 51 HA LEU 51 -4.512 14.392 20.821 383 HB2 LEU 51 2HB LEU 51 -4.111 11.831 19.248 384 HB3 LEU 51 3HB LEU 51 -4.343 11.951 20.993 385 HG LEU 51 HG LEU 51 -6.345 12.813 18.882 386 HD11 LEU 51 1HD1 LEU 51 -6.007 10.337 19.147 387 HD12 LEU 51 2HD1 LEU 51 -7.631 10.878 19.574 388 HD13 LEU 51 3HD1 LEU 51 -6.463 10.504 20.843 389 HD21 LEU 51 3HD2 LEU 51 -6.810 14.210 20.709 390 HD22 LEU 51 1HD2 LEU 51 -6.271 13.017 21.891 391 HD23 LEU 51 2HD2 LEU 51 -7.820 12.815 21.072 392 H TYR 52 H TYR 52 -2.681 12.461 21.593 393 HA TYR 52 HA TYR 52 -0.187 13.929 21.333 394 HB2 TYR 52 2HB TYR 52 -0.810 12.809 23.429 395 HB3 TYR 52 3HB TYR 52 -0.801 11.248 22.609 396 HD1 TYR 52 HD2 TYR 52 1.394 14.242 23.088 397 HD2 TYR 52 HD1 TYR 52 1.178 9.969 22.698 398 HE1 TYR 52 HE2 TYR 52 3.836 14.084 23.464 399 HE2 TYR 52 HE1 TYR 52 3.626 9.812 23.069 400 HH TYR 52 HH TYR 52 5.603 11.199 22.891 401 H LEU 53 H LEU 53 0.202 10.521 21.331 402 HA LEU 53 HA LEU 53 0.734 10.373 18.434 403 HB2 LEU 53 2HB LEU 53 2.863 11.202 19.271 404 HB3 LEU 53 3HB LEU 53 2.884 9.978 20.541 405 HG LEU 53 HG LEU 53 3.073 8.193 18.885 406 HD11 LEU 53 1HD1 LEU 53 2.586 10.458 16.954 407 HD12 LEU 53 2HD1 LEU 53 1.822 8.869 17.018 408 HD13 LEU 53 3HD1 LEU 53 3.474 9.026 16.430 409 HD21 LEU 53 3HD2 LEU 53 4.994 10.457 18.266 410 HD22 LEU 53 1HD2 LEU 53 5.280 8.745 17.956 411 HD23 LEU 53 2HD2 LEU 53 5.147 9.331 19.615 412 H VAL 54 H VAL 54 -0.302 8.553 17.881 413 HA VAL 54 HA VAL 54 0.272 6.060 19.354 414 HB VAL 54 HB VAL 54 -2.269 5.549 19.229 415 HG11 VAL 54 1HG1 VAL 54 -2.626 6.544 21.448 416 HG12 VAL 54 2HG1 VAL 54 -1.253 7.623 21.196 417 HG13 VAL 54 3HG1 VAL 54 -0.995 5.883 21.330 418 HG21 VAL 54 3HG2 VAL 54 -2.633 7.711 17.867 419 HG22 VAL 54 1HG2 VAL 54 -2.452 8.565 19.397 420 HG23 VAL 54 2HG2 VAL 54 -3.763 7.403 19.184 421 H ASN 55 H ASN 55 0.514 4.405 17.943 422 HA ASN 55 HA ASN 55 -0.907 3.746 15.682 423 HB2 ASN 55 2HB ASN 55 0.732 4.708 13.868 424 HB3 ASN 55 3HB ASN 55 -0.563 5.725 14.478 425 HD21 ASN 55 1HD2 ASN 55 0.871 7.613 13.893 426 HD22 ASN 55 2HD2 ASN 55 2.127 8.053 14.949 427 H VAL 56 H VAL 56 -0.204 1.759 15.151 428 HA VAL 56 HA VAL 56 2.192 0.623 16.261 429 HB VAL 56 HB VAL 56 0.297 -0.342 14.102 430 HG11 VAL 56 1HG1 VAL 56 2.392 -1.492 13.752 431 HG12 VAL 56 2HG1 VAL 56 1.321 -2.595 14.612 432 HG13 VAL 56 3HG1 VAL 56 2.597 -1.750 15.485 433 HG21 VAL 56 3HG2 VAL 56 0.637 -1.180 16.996 434 HG22 VAL 56 1HG2 VAL 56 -0.616 -1.725 15.880 435 HG23 VAL 56 2HG2 VAL 56 -0.592 -0.050 16.430 436 H THR 57 H THR 57 1.342 1.753 12.993 437 HA THR 57 HA THR 57 3.445 0.970 11.421 438 HB THR 57 HB THR 57 3.308 3.138 10.248 439 HG1 THR 57 HG1 THR 57 2.783 4.830 11.337 440 HG21 THR 57 3HG2 THR 57 0.724 3.198 10.081 441 HG22 THR 57 1HG2 THR 57 0.759 1.849 11.217 442 HG23 THR 57 2HG2 THR 57 1.544 1.699 9.644 443 H GLY 58 H GLY 58 3.770 4.228 12.881 444 HA2 GLY 58 2HA GLY 58 6.339 3.513 14.078 445 HA3 GLY 58 3HA GLY 58 6.479 4.530 12.646 446 H ALA 59 H ALA 59 7.184 6.385 13.675 447 HA ALA 59 HA ALA 59 5.724 7.461 15.990 448 HB1 ALA 59 3HB ALA 59 7.479 9.055 16.110 449 HB2 ALA 59 1HB ALA 59 7.914 8.817 14.418 450 HB3 ALA 59 2HB ALA 59 8.256 7.556 15.600 451 H ARG 60 H ARG 60 6.009 10.206 15.397 452 HA ARG 60 HA ARG 60 4.791 11.967 14.482 453 HB2 ARG 60 2HB ARG 60 6.075 11.325 12.448 454 HB3 ARG 60 3HB ARG 60 4.777 10.223 11.994 455 HG2 ARG 60 2HG ARG 60 3.194 12.082 11.865 456 HG3 ARG 60 3HG ARG 60 4.434 13.208 12.416 457 HD2 ARG 60 2HD ARG 60 5.776 12.735 10.413 458 HD3 ARG 60 3HD ARG 60 4.579 11.559 9.877 459 HE ARG 60 HE ARG 60 3.115 13.347 9.286 460 HH11 ARG 60 1HH2 ARG 60 5.972 14.419 10.916 461 HH12 ARG 60 2HH2 ARG 60 5.716 16.087 10.526 462 HH21 ARG 60 1HH1 ARG 60 2.781 15.511 8.780 463 HH22 ARG 60 2HH1 ARG 60 3.913 16.704 9.322 464 H PHE 61 H PHE 61 2.625 12.605 13.925 465 HA PHE 61 HA PHE 61 0.588 10.999 15.094 466 HB2 PHE 61 2HB PHE 61 0.241 13.221 13.058 467 HB3 PHE 61 3HB PHE 61 -0.951 12.676 14.238 468 HD1 PHE 61 HD2 PHE 61 2.267 14.430 13.777 469 HD2 PHE 61 HD1 PHE 61 -0.786 13.301 16.580 470 HE1 PHE 61 HE2 PHE 61 3.222 15.996 15.445 471 HE2 PHE 61 HE1 PHE 61 0.171 14.867 18.249 472 HZ PHE 61 HZ PHE 61 2.174 16.215 17.682 473 H ALA 62 H ALA 62 1.437 11.576 11.676 474 HA ALA 62 HA ALA 62 -0.520 9.477 10.849 475 HB1 ALA 62 3HB ALA 62 -0.737 11.530 9.609 476 HB2 ALA 62 1HB ALA 62 0.013 10.347 8.538 477 HB3 ALA 62 2HB ALA 62 0.999 11.593 9.305 478 H ARG 63 H ARG 63 1.876 9.953 8.553 479 HA ARG 63 HA ARG 63 3.604 7.746 9.548 480 HB2 ARG 63 2HB ARG 63 2.065 7.756 6.936 481 HB3 ARG 63 3HB ARG 63 3.409 6.664 7.270 482 HG2 ARG 63 2HG ARG 63 2.207 5.766 9.224 483 HG3 ARG 63 3HG ARG 63 0.871 6.873 8.917 484 HD2 ARG 63 2HD ARG 63 1.834 4.822 6.906 485 HD3 ARG 63 3HD ARG 63 0.503 4.539 8.029 486 HE ARG 63 HE ARG 63 -0.008 6.972 6.639 487 HH11 ARG 63 1HH2 ARG 63 0.241 3.565 6.139 488 HH12 ARG 63 2HH2 ARG 63 -0.881 3.546 4.820 489 HH21 ARG 63 1HH1 ARG 63 -1.471 6.958 4.921 490 HH22 ARG 63 2HH1 ARG 63 -1.849 5.464 4.131 491 H GLY 64 H GLY 64 5.703 7.927 8.838 492 HA2 GLY 64 2HA GLY 64 7.576 9.217 8.185 493 HA3 GLY 64 3HA GLY 64 6.852 8.948 6.606 494 H SER 65 H SER 65 6.225 10.716 5.473 495 HA SER 65 HA SER 65 5.404 13.177 6.853 496 HB2 SER 65 2HB SER 65 7.825 13.446 6.870 497 HB3 SER 65 3HB SER 65 7.915 13.057 5.154 498 HG SER 65 HG SER 65 7.342 15.405 6.376 499 H PHE 66 H PHE 66 4.441 14.703 5.377 500 HA PHE 66 HA PHE 66 3.080 13.444 3.165 501 HB2 PHE 66 2HB PHE 66 3.246 16.290 4.168 502 HB3 PHE 66 3HB PHE 66 2.301 15.852 2.743 503 HD1 PHE 66 HD2 PHE 66 2.662 15.372 6.394 504 HD2 PHE 66 HD1 PHE 66 0.258 14.584 2.926 505 HE1 PHE 66 HE2 PHE 66 0.814 14.596 7.854 506 HE2 PHE 66 HE1 PHE 66 -1.591 13.806 4.382 507 HZ PHE 66 HZ PHE 66 -1.314 13.812 6.847 508 H ARG 67 H ARG 67 3.420 13.650 0.984 509 HA ARG 67 HA ARG 67 5.725 15.301 0.035 510 HB2 ARG 67 2HB ARG 67 5.154 12.383 -0.536 511 HB3 ARG 67 3HB ARG 67 6.232 13.359 -1.535 512 HG2 ARG 67 2HG ARG 67 7.596 13.871 0.481 513 HG3 ARG 67 3HG ARG 67 6.540 12.830 1.438 514 HD2 ARG 67 2HD ARG 67 7.110 10.920 -0.033 515 HD3 ARG 67 3HD ARG 67 8.197 11.965 -0.946 516 HE ARG 67 HE ARG 67 8.699 10.860 1.730 517 HH11 ARG 67 1HH2 ARG 67 9.481 13.208 -0.681 518 HH12 ARG 67 2HH2 ARG 67 11.076 13.490 -0.068 519 HH21 ARG 67 1HH1 ARG 67 10.771 11.222 2.532 520 HH22 ARG 67 2HH1 ARG 67 11.806 12.367 1.747 521 H GLU 68 H GLU 68 3.152 13.117 -1.193 522 HA GLU 68 HA GLU 68 1.994 15.358 -2.708 523 HB2 GLU 68 2HB GLU 68 3.821 14.549 -4.194 524 HB3 GLU 68 3HB GLU 68 3.100 12.940 -4.166 525 HG2 GLU 68 2HG GLU 68 1.034 13.817 -5.163 526 HG3 GLU 68 3HG GLU 68 1.705 15.449 -5.147 527 H VAL 69 H VAL 69 -0.178 15.013 -3.080 528 HA VAL 69 HA VAL 69 -1.258 12.275 -2.468 529 HB VAL 69 HB VAL 69 -2.322 15.004 -1.688 530 HG11 VAL 69 1HG1 VAL 69 -4.289 13.875 -2.314 531 HG12 VAL 69 2HG1 VAL 69 -4.159 13.500 -0.597 532 HG13 VAL 69 3HG1 VAL 69 -3.669 12.306 -1.798 533 HG21 VAL 69 3HG2 VAL 69 -1.582 12.546 -0.069 534 HG22 VAL 69 1HG2 VAL 69 -2.161 14.078 0.585 535 HG23 VAL 69 2HG2 VAL 69 -0.595 13.999 -0.221 536 H VAL 70 H VAL 70 -2.443 11.445 -4.106 537 HA VAL 70 HA VAL 70 -3.816 13.305 -5.990 538 HB VAL 70 HB VAL 70 -2.395 10.881 -7.066 539 HG11 VAL 70 1HG1 VAL 70 -2.604 12.009 -9.137 540 HG12 VAL 70 2HG1 VAL 70 -2.840 13.575 -8.364 541 HG13 VAL 70 3HG1 VAL 70 -4.123 12.369 -8.320 542 HG21 VAL 70 3HG2 VAL 70 -1.202 13.585 -6.420 543 HG22 VAL 70 1HG2 VAL 70 -0.511 12.515 -7.641 544 HG23 VAL 70 2HG2 VAL 70 -0.595 11.995 -5.959 545 HA PRO 71 HA PRO 71 -6.779 10.190 -4.296 546 HB2 PRO 71 2HB PRO 71 -8.575 11.934 -5.951 547 HB3 PRO 71 3HB PRO 71 -8.808 11.318 -4.301 548 HG2 PRO 71 2HG PRO 71 -8.106 13.845 -4.723 549 HG3 PRO 71 3HG PRO 71 -7.431 12.924 -3.367 550 HD2 PRO 71 2HD PRO 71 -6.125 13.697 -5.949 551 HD3 PRO 71 3HD PRO 71 -5.414 13.520 -4.328 552 H VAL 72 H VAL 72 -7.666 8.376 -5.201 553 HA VAL 72 HA VAL 72 -7.612 6.647 -6.807 554 HB VAL 72 HB VAL 72 -9.341 7.082 -8.578 555 HG11 VAL 72 1HG1 VAL 72 -11.162 7.183 -7.014 556 HG12 VAL 72 2HG1 VAL 72 -10.186 8.068 -5.843 557 HG13 VAL 72 3HG1 VAL 72 -9.834 6.374 -6.184 558 HG21 VAL 72 3HG2 VAL 72 -8.764 9.548 -8.793 559 HG22 VAL 72 1HG2 VAL 72 -9.582 9.799 -7.252 560 HG23 VAL 72 2HG2 VAL 72 -10.485 9.204 -8.643 561 H HIS 73 H HIS 73 -5.241 7.753 -7.110 562 HA HIS 73 HA HIS 73 -4.718 7.459 -9.963 563 HB2 HIS 73 2HB HIS 73 -5.358 9.904 -9.692 564 HB3 HIS 73 3HB HIS 73 -3.937 10.077 -8.662 565 HD1 HIS 73 HD1 HIS 73 -1.753 10.503 -9.833 566 HD2 HIS 73 HD2 HIS 73 -4.625 8.927 -12.411 567 HE1 HIS 73 HE1 HIS 73 -0.736 10.545 -12.154 568 H ARG 74 H ARG 74 -2.934 9.223 -7.433 569 HA ARG 74 HA ARG 74 -1.084 6.937 -7.098 570 HB2 ARG 74 2HB ARG 74 -0.268 9.633 -8.202 571 HB3 ARG 74 3HB ARG 74 0.882 8.500 -7.491 572 HG2 ARG 74 2HG ARG 74 0.125 6.771 -9.127 573 HG3 ARG 74 3HG ARG 74 -0.915 7.982 -9.875 574 HD2 ARG 74 2HD ARG 74 2.080 8.317 -9.562 575 HD3 ARG 74 3HD ARG 74 1.312 7.694 -11.022 576 HE ARG 74 HE ARG 74 0.063 10.160 -10.371 577 HH11 ARG 74 1HH2 ARG 74 3.112 8.870 -11.360 578 HH12 ARG 74 2HH2 ARG 74 3.588 10.304 -12.206 579 HH21 ARG 74 1HH1 ARG 74 0.673 12.029 -11.474 580 HH22 ARG 74 2HH1 ARG 74 2.209 12.090 -12.271 581 H LEU 75 H LEU 75 0.443 7.300 -5.309 582 HA LEU 75 HA LEU 75 -0.199 9.554 -3.499 583 HB2 LEU 75 2HB LEU 75 -1.699 7.470 -3.033 584 HB3 LEU 75 3HB LEU 75 -0.222 6.735 -2.418 585 HG LEU 75 HG LEU 75 -0.027 9.024 -1.067 586 HD11 LEU 75 1HD1 LEU 75 -2.250 9.860 -0.393 587 HD12 LEU 75 2HD1 LEU 75 -3.011 8.756 -1.535 588 HD13 LEU 75 3HD1 LEU 75 -1.993 10.069 -2.124 589 HD21 LEU 75 3HD2 LEU 75 -0.174 6.883 0.050 590 HD22 LEU 75 1HD2 LEU 75 -1.881 6.726 -0.372 591 HD23 LEU 75 2HD2 LEU 75 -1.367 7.954 0.786 592 H ALA 76 H ALA 76 1.630 10.211 -2.404 593 HA ALA 76 HA ALA 76 3.978 8.352 -2.339 594 HB1 ALA 76 3HB ALA 76 4.084 10.099 -4.206 595 HB2 ALA 76 1HB ALA 76 5.450 10.061 -3.090 596 HB3 ALA 76 2HB ALA 76 4.211 11.304 -2.923 597 H TYR 77 H TYR 77 4.901 8.240 -0.370 598 HA TYR 77 HA TYR 77 4.704 10.532 1.490 599 HB2 TYR 77 2HB TYR 77 3.353 7.875 1.869 600 HB3 TYR 77 3HB TYR 77 4.052 8.654 3.291 601 HD1 TYR 77 HD1 TYR 77 1.649 9.094 0.504 602 HD2 TYR 77 HD2 TYR 77 3.060 10.586 4.264 603 HE1 TYR 77 HE1 TYR 77 -0.292 10.639 0.616 604 HE2 TYR 77 HE2 TYR 77 1.125 12.126 4.387 605 HH TYR 77 HH TYR 77 -1.548 11.845 2.867 606 H SER 78 H SER 78 6.260 10.492 3.127 607 HA SER 78 HA SER 78 8.678 9.001 2.442 608 HB2 SER 78 2HB SER 78 9.782 10.492 3.849 609 HB3 SER 78 3HB SER 78 8.386 11.460 3.384 610 HG SER 78 HG SER 78 9.049 10.318 5.804 611 H PHE 79 H PHE 79 9.914 8.233 4.616 612 HA PHE 79 HA PHE 79 8.029 6.595 6.264 613 HB2 PHE 79 2HB PHE 79 8.982 5.234 4.387 614 HB3 PHE 79 3HB PHE 79 10.593 5.567 5.019 615 HD1 PHE 79 HD1 PHE 79 7.317 4.010 5.812 616 HD2 PHE 79 HD2 PHE 79 11.445 4.400 6.920 617 HE1 PHE 79 HE1 PHE 79 7.056 2.152 7.433 618 HE2 PHE 79 HE2 PHE 79 11.187 2.542 8.543 619 HZ PHE 79 HZ PHE 79 8.990 1.419 8.800 620 H GLY 80 H GLY 80 8.547 6.630 8.403 621 HA2 GLY 80 2HA GLY 80 10.190 6.536 10.215 622 HA3 GLY 80 3HA GLY 80 11.310 7.454 9.213 623 H TRP 81 H TRP 81 11.605 9.378 10.245 624 HA TRP 81 HA TRP 81 9.441 11.270 10.433 625 HB2 TRP 81 2HB TRP 81 8.761 10.057 12.403 626 HB3 TRP 81 3HB TRP 81 10.417 9.988 13.004 627 HD1 TRP 81 HD1 TRP 81 7.873 12.738 12.001 628 HE1 TRP 81 HE1 TRP 81 8.128 14.704 13.647 629 HE3 TRP 81 HE3 TRP 81 11.715 10.988 14.880 630 HZ2 TRP 81 HZ2 TRP 81 9.746 15.440 15.885 631 HZ3 TRP 81 HZ3 TRP 81 12.593 12.345 16.760 632 HH2 TRP 81 HH2 TRP 81 11.615 14.567 17.264 633 H ASP 82 H ASP 82 10.223 13.363 10.870 634 HA ASP 82 HA ASP 82 12.966 13.852 10.234 635 HB2 ASP 82 2HB ASP 82 11.155 15.453 9.771 636 HB3 ASP 82 3HB ASP 82 10.931 15.701 11.502 637 H GLY 83 H GLY 83 14.735 14.243 11.506 638 HA2 GLY 83 2HA GLY 83 15.996 14.638 13.472 639 HA3 GLY 83 3HA GLY 83 14.485 14.771 14.375 640 H SER 84 H SER 84 14.468 12.022 12.441 641 HA SER 84 HA SER 84 14.624 10.281 14.770 642 HB2 SER 84 2HB SER 84 14.301 8.470 13.032 643 HB3 SER 84 3HB SER 84 13.041 9.701 13.057 644 HG SER 84 HG SER 84 14.307 8.997 10.983 645 H GLU 85 H GLU 85 16.036 8.330 14.761 646 HA GLU 85 HA GLU 85 18.749 8.891 13.599 647 HB2 GLU 85 2HB GLU 85 17.995 7.626 16.257 648 HB3 GLU 85 3HB GLU 85 19.635 7.703 15.616 649 HG2 GLU 85 2HG GLU 85 19.559 9.591 17.006 650 HG3 GLU 85 3HG GLU 85 19.184 10.282 15.429 651 H VAL 86 H VAL 86 16.304 6.477 14.450 652 HA VAL 86 HA VAL 86 17.786 4.187 13.528 653 HB VAL 86 HB VAL 86 15.554 3.076 13.420 654 HG11 VAL 86 1HG1 VAL 86 14.984 3.426 15.834 655 HG12 VAL 86 2HG1 VAL 86 16.108 4.784 15.862 656 HG13 VAL 86 3HG1 VAL 86 16.704 3.154 15.559 657 HG21 VAL 86 3HG2 VAL 86 14.179 4.903 12.619 658 HG22 VAL 86 1HG2 VAL 86 14.589 5.888 14.022 659 HG23 VAL 86 2HG2 VAL 86 13.591 4.449 14.216 660 H VAL 87 H VAL 87 15.553 6.447 11.954 661 HA VAL 87 HA VAL 87 16.646 5.627 9.328 662 HB VAL 87 HB VAL 87 13.676 5.568 9.947 663 HG11 VAL 87 1HG1 VAL 87 13.904 6.356 7.718 664 HG12 VAL 87 2HG1 VAL 87 13.682 4.616 7.537 665 HG13 VAL 87 3HG1 VAL 87 15.293 5.317 7.404 666 HG21 VAL 87 3HG2 VAL 87 14.699 3.558 10.790 667 HG22 VAL 87 1HG2 VAL 87 15.727 3.412 9.366 668 HG23 VAL 87 2HG2 VAL 87 13.991 3.138 9.231 669 HA PRO 88 HA PRO 88 16.198 10.234 10.050 670 HB2 PRO 88 2HB PRO 88 18.385 10.082 8.002 671 HB3 PRO 88 3HB PRO 88 18.297 11.059 9.478 672 HG2 PRO 88 2HG PRO 88 19.836 8.886 9.340 673 HG3 PRO 88 3HG PRO 88 18.990 9.334 10.832 674 HD2 PRO 88 2HD PRO 88 18.362 7.143 8.898 675 HD3 PRO 88 3HD PRO 88 18.088 7.211 10.654 676 HA PRO 89 HA PRO 89 13.678 11.056 6.490 677 HB2 PRO 89 2HB PRO 89 14.252 13.742 6.006 678 HB3 PRO 89 3HB PRO 89 13.135 13.155 7.253 679 HG2 PRO 89 2HG PRO 89 15.974 14.029 7.518 680 HG3 PRO 89 3HG PRO 89 14.604 14.293 8.611 681 HD2 PRO 89 2HD PRO 89 16.492 12.416 9.116 682 HD3 PRO 89 3HD PRO 89 14.795 12.185 9.585 683 H GLY 90 H GLY 90 13.785 10.996 4.258 684 HA2 GLY 90 2HA GLY 90 14.737 11.180 2.097 685 HA3 GLY 90 3HA GLY 90 16.180 11.892 2.820 686 H SER 91 H SER 91 15.953 9.430 4.763 687 HA SER 91 HA SER 91 17.936 7.837 3.417 688 HB2 SER 91 2HB SER 91 17.635 8.074 5.926 689 HB3 SER 91 3HB SER 91 16.239 7.010 5.782 690 HG SER 91 HG SER 91 18.596 6.200 4.553 691 H SER 92 H SER 92 14.487 7.854 3.314 692 HA SER 92 HA SER 92 14.549 5.530 1.505 693 HB2 SER 92 2HB SER 92 12.688 4.408 2.806 694 HB3 SER 92 3HB SER 92 14.268 4.350 3.580 695 HG SER 92 HG SER 92 12.368 5.043 4.882 696 H LEU 93 H LEU 93 12.462 5.239 0.400 697 HA LEU 93 HA LEU 93 10.569 7.514 0.677 698 HB2 LEU 93 2HB LEU 93 12.205 8.168 -1.075 699 HB3 LEU 93 3HB LEU 93 11.834 6.686 -1.955 700 HG LEU 93 HG LEU 93 9.471 7.402 -2.153 701 HD11 LEU 93 1HD1 LEU 93 10.469 9.671 -0.459 702 HD12 LEU 93 2HD1 LEU 93 8.944 8.789 -0.366 703 HD13 LEU 93 3HD1 LEU 93 9.190 9.987 -1.630 704 HD21 LEU 93 3HD2 LEU 93 10.877 7.967 -4.002 705 HD22 LEU 93 1HD2 LEU 93 11.600 9.317 -3.127 706 HD23 LEU 93 2HD2 LEU 93 9.920 9.406 -3.657 707 H VAL 94 H VAL 94 8.502 6.814 0.531 708 HA VAL 94 HA VAL 94 8.010 4.072 -0.595 709 HB VAL 94 HB VAL 94 6.632 5.602 1.626 710 HG11 VAL 94 1HG1 VAL 94 5.246 3.438 1.757 711 HG12 VAL 94 2HG1 VAL 94 5.821 3.105 0.124 712 HG13 VAL 94 3HG1 VAL 94 4.853 4.545 0.441 713 HG21 VAL 94 3HG2 VAL 94 8.065 2.935 1.517 714 HG22 VAL 94 1HG2 VAL 94 7.310 3.631 2.951 715 HG23 VAL 94 2HG2 VAL 94 8.711 4.416 2.220 716 H GLU 95 H GLU 95 6.602 3.951 -2.288 717 HA GLU 95 HA GLU 95 4.761 6.241 -2.796 718 HB2 GLU 95 2HB GLU 95 6.703 5.022 -4.771 719 HB3 GLU 95 3HB GLU 95 5.346 6.048 -5.244 720 HG2 GLU 95 2HG GLU 95 6.211 7.881 -3.882 721 HG3 GLU 95 3HG GLU 95 7.523 6.858 -3.301 722 H ILE 96 H ILE 96 2.791 5.633 -3.554 723 HA ILE 96 HA ILE 96 2.388 2.744 -4.264 724 HB ILE 96 HB ILE 96 0.595 4.552 -2.617 725 HG12 ILE 96 2HG1 ILE 96 1.957 1.949 -1.873 726 HG13 ILE 96 3HG1 ILE 96 2.628 3.537 -1.498 727 HG21 ILE 96 1HG2 ILE 96 -0.730 2.372 -2.399 728 HG22 ILE 96 2HG2 ILE 96 0.215 1.780 -3.765 729 HG23 ILE 96 3HG2 ILE 96 -0.830 3.187 -3.958 730 HD11 ILE 96 3HD1 ILE 96 -0.114 2.580 -0.628 731 HD12 ILE 96 1HD1 ILE 96 0.649 4.108 -0.189 732 HD13 ILE 96 2HD1 ILE 96 1.320 2.586 0.399 733 H ASP 97 H ASP 97 1.392 2.472 -6.201 734 HA ASP 97 HA ASP 97 0.005 4.838 -7.430 735 HB2 ASP 97 2HB ASP 97 1.712 2.683 -8.694 736 HB3 ASP 97 3HB ASP 97 0.698 3.790 -9.623 737 H LEU 98 H LEU 98 -1.965 4.470 -8.390 738 HA LEU 98 HA LEU 98 -3.170 1.760 -7.964 739 HB2 LEU 98 2HB LEU 98 -4.525 4.440 -8.386 740 HB3 LEU 98 3HB LEU 98 -5.318 2.921 -7.969 741 HG LEU 98 HG LEU 98 -3.266 4.364 -6.260 742 HD11 LEU 98 1HD1 LEU 98 -6.278 4.128 -6.114 743 HD12 LEU 98 2HD1 LEU 98 -5.310 5.599 -6.181 744 HD13 LEU 98 3HD1 LEU 98 -5.295 4.601 -4.727 745 HD21 LEU 98 3HD2 LEU 98 -4.242 2.628 -4.550 746 HD22 LEU 98 1HD2 LEU 98 -3.024 2.090 -5.703 747 HD23 LEU 98 2HD2 LEU 98 -4.728 1.736 -5.991 748 H ILE 99 H ILE 99 -3.585 0.579 -9.749 749 HA ILE 99 HA ILE 99 -3.863 1.997 -12.379 750 HB ILE 99 HB ILE 99 -2.452 -0.623 -11.798 751 HG12 ILE 99 2HG1 ILE 99 -1.369 1.958 -12.964 752 HG13 ILE 99 3HG1 ILE 99 -1.257 1.555 -11.250 753 HG21 ILE 99 1HG2 ILE 99 -1.895 -0.429 -14.275 754 HG22 ILE 99 2HG2 ILE 99 -3.140 0.818 -14.372 755 HG23 ILE 99 3HG2 ILE 99 -3.574 -0.829 -13.910 756 HD11 ILE 99 3HD1 ILE 99 -0.082 -0.560 -11.869 757 HD12 ILE 99 1HD1 ILE 99 0.807 0.883 -12.357 758 HD13 ILE 99 2HD1 ILE 99 -0.101 -0.041 -13.554 759 H GLU 100 H GLU 100 -5.693 1.523 -13.433 760 HA GLU 100 HA GLU 100 -7.685 -0.213 -12.287 761 HB2 GLU 100 2HB GLU 100 -7.476 1.189 -14.961 762 HB3 GLU 100 3HB GLU 100 -8.906 0.290 -14.447 763 HG2 GLU 100 2HG GLU 100 -9.150 1.736 -12.491 764 HG3 GLU 100 3HG GLU 100 -7.670 2.595 -12.911 765 H GLN 101 H GLN 101 -8.316 -2.292 -12.918 766 HA GLN 101 HA GLN 101 -7.107 -3.538 -15.286 767 HB2 GLN 101 2HB GLN 101 -5.348 -3.764 -13.533 768 HB3 GLN 101 3HB GLN 101 -6.504 -4.636 -12.525 769 HG2 GLN 101 2HG GLN 101 -6.754 -6.342 -14.306 770 HG3 GLN 101 3HG GLN 101 -5.566 -5.479 -15.284 771 HE21 GLN 101 1HE2 GLN 101 -3.755 -6.856 -15.207 772 HE22 GLN 101 2HE2 GLN 101 -3.035 -7.403 -13.771 773 H GLY 102 H GLY 102 -9.327 -3.761 -15.856 774 HA2 GLY 102 2HA GLY 102 -11.501 -4.685 -15.776 775 HA3 GLY 102 3HA GLY 102 -10.563 -6.165 -15.628 776 H GLY 103 H GLY 103 -11.190 -7.399 -13.971 777 HA2 GLY 103 2HA GLY 103 -12.951 -6.414 -11.909 778 HA3 GLY 103 3HA GLY 103 -12.263 -8.035 -11.989 779 H GLY 104 H GLY 104 -12.459 -5.631 -9.941 780 HA2 GLY 104 2HA GLY 104 -11.243 -5.214 -7.975 781 HA3 GLY 104 3HA GLY 104 -10.044 -6.386 -8.517 782 H THR 105 H THR 105 -8.829 -4.391 -7.436 783 HA THR 105 HA THR 105 -7.952 -2.603 -9.678 784 HB THR 105 HB THR 105 -8.229 -1.883 -6.745 785 HG1 THR 105 HG1 THR 105 -10.031 -0.955 -7.335 786 HG21 THR 105 3HG2 THR 105 -6.303 -0.771 -7.676 787 HG22 THR 105 1HG2 THR 105 -7.616 0.405 -7.629 788 HG23 THR 105 2HG2 THR 105 -7.184 -0.372 -9.151 789 H LEU 106 H LEU 106 -5.805 -2.602 -10.035 790 HA LEU 106 HA LEU 106 -4.132 -4.388 -8.413 791 HB2 LEU 106 2HB LEU 106 -3.890 -4.441 -10.840 792 HB3 LEU 106 3HB LEU 106 -3.544 -2.714 -10.873 793 HG LEU 106 HG LEU 106 -1.473 -3.063 -9.617 794 HD11 LEU 106 1HD1 LEU 106 -0.791 -5.579 -9.341 795 HD12 LEU 106 2HD1 LEU 106 -2.527 -5.882 -9.417 796 HD13 LEU 106 3HD1 LEU 106 -1.864 -4.852 -8.146 797 HD21 LEU 106 3HD2 LEU 106 -0.246 -4.425 -11.298 798 HD22 LEU 106 1HD2 LEU 106 -1.365 -3.292 -12.055 799 HD23 LEU 106 2HD2 LEU 106 -1.790 -4.999 -11.932 800 H LEU 107 H LEU 107 -2.816 -3.707 -6.816 801 HA LEU 107 HA LEU 107 -2.274 -0.764 -6.576 802 HB2 LEU 107 2HB LEU 107 -3.760 -1.726 -4.830 803 HB3 LEU 107 3HB LEU 107 -2.474 -2.840 -4.379 804 HG LEU 107 HG LEU 107 -1.634 0.023 -4.482 805 HD11 LEU 107 1HD1 LEU 107 -3.575 -0.939 -2.360 806 HD12 LEU 107 2HD1 LEU 107 -3.891 0.310 -3.565 807 HD13 LEU 107 3HD1 LEU 107 -2.676 0.578 -2.315 808 HD21 LEU 107 3HD2 LEU 107 -0.339 -0.587 -2.585 809 HD22 LEU 107 1HD2 LEU 107 -0.331 -2.028 -3.600 810 HD23 LEU 107 2HD2 LEU 107 -1.393 -1.947 -2.196 811 H ARG 108 H ARG 108 -0.189 -0.233 -6.778 812 HA ARG 108 HA ARG 108 1.885 -2.369 -6.449 813 HB2 ARG 108 2HB ARG 108 1.901 0.227 -8.006 814 HB3 ARG 108 3HB ARG 108 3.305 -0.826 -7.816 815 HG2 ARG 108 2HG ARG 108 2.088 -2.679 -8.858 816 HG3 ARG 108 3HG ARG 108 0.647 -1.673 -9.000 817 HD2 ARG 108 2HD ARG 108 1.822 -1.704 -11.138 818 HD3 ARG 108 3HD ARG 108 1.937 -0.090 -10.434 819 HE ARG 108 HE ARG 108 4.200 -1.652 -9.624 820 HH11 ARG 108 1HH2 ARG 108 2.772 -0.073 -12.341 821 HH12 ARG 108 2HH2 ARG 108 4.287 0.228 -13.124 822 HH21 ARG 108 1HH1 ARG 108 6.176 -1.270 -10.635 823 HH22 ARG 108 2HH1 ARG 108 6.212 -0.449 -12.160 824 H LEU 109 H LEU 109 3.464 -2.104 -4.958 825 HA LEU 109 HA LEU 109 3.557 0.488 -3.445 826 HB2 LEU 109 2HB LEU 109 2.514 -1.367 -2.155 827 HB3 LEU 109 3HB LEU 109 3.986 -2.310 -2.361 828 HG LEU 109 HG LEU 109 4.421 0.441 -1.279 829 HD11 LEU 109 1HD1 LEU 109 2.399 -0.025 -0.056 830 HD12 LEU 109 2HD1 LEU 109 3.761 -0.291 1.030 831 HD13 LEU 109 3HD1 LEU 109 2.931 -1.668 0.304 832 HD21 LEU 109 3HD2 LEU 109 5.338 -2.320 -0.393 833 HD22 LEU 109 1HD2 LEU 109 5.956 -0.787 0.218 834 HD23 LEU 109 2HD2 LEU 109 6.234 -1.242 -1.461 835 H THR 110 H THR 110 5.514 1.418 -3.468 836 HA THR 110 HA THR 110 7.908 -0.272 -4.114 837 HB THR 110 HB THR 110 7.323 2.573 -4.981 838 HG1 THR 110 HG1 THR 110 7.074 1.678 -6.973 839 HG21 THR 110 3HG2 THR 110 9.436 2.113 -6.371 840 HG22 THR 110 1HG2 THR 110 9.723 0.763 -5.273 841 HG23 THR 110 2HG2 THR 110 9.669 2.411 -4.648 842 H HIS 111 H HIS 111 9.466 -0.171 -2.611 843 HA HIS 111 HA HIS 111 9.615 2.219 -0.808 844 HB2 HIS 111 2HB HIS 111 8.506 0.291 0.353 845 HB3 HIS 111 3HB HIS 111 9.958 -0.665 0.065 846 HD1 HIS 111 HD1 HIS 111 12.215 1.119 0.766 847 HD2 HIS 111 HD2 HIS 111 8.672 1.164 2.961 848 HE1 HIS 111 HE1 HIS 111 12.791 2.080 3.037 849 H SER 112 H SER 112 11.658 2.995 -0.627 850 HA SER 112 HA SER 112 13.934 1.251 -1.518 851 HB2 SER 112 2HB SER 112 13.569 4.197 -2.126 852 HB3 SER 112 3HB SER 112 14.915 3.182 -2.636 853 HG SER 112 HG SER 112 12.793 3.595 -3.987 854 H GLY 113 H GLY 113 15.962 1.776 -0.545 855 HA2 GLY 113 2HA GLY 113 17.193 3.358 0.995 856 HA3 GLY 113 3HA GLY 113 15.740 3.367 1.994 857 H LEU 114 H LEU 114 15.463 1.758 3.473 858 HA LEU 114 HA LEU 114 15.981 -0.078 4.815 859 HB2 LEU 114 2HB LEU 114 17.377 -1.297 2.426 860 HB3 LEU 114 3HB LEU 114 16.558 -2.118 3.752 861 HG LEU 114 HG LEU 114 15.266 -0.475 1.557 862 HD11 LEU 114 1HD1 LEU 114 14.778 -3.354 2.335 863 HD12 LEU 114 2HD1 LEU 114 15.999 -2.896 1.148 864 HD13 LEU 114 3HD1 LEU 114 14.299 -2.532 0.851 865 HD21 LEU 114 3HD2 LEU 114 14.148 -1.643 4.117 866 HD22 LEU 114 1HD2 LEU 114 13.126 -1.266 2.730 867 HD23 LEU 114 2HD2 LEU 114 14.022 0.018 3.539 868 HA PRO 115 HA PRO 115 20.253 1.858 5.229 869 HB2 PRO 115 2HB PRO 115 19.257 1.810 8.058 870 HB3 PRO 115 3HB PRO 115 20.107 3.101 7.184 871 HG2 PRO 115 2HG PRO 115 17.488 3.247 7.693 872 HG3 PRO 115 3HG PRO 115 18.179 3.875 6.184 873 HD2 PRO 115 2HD PRO 115 16.593 1.374 6.628 874 HD3 PRO 115 3HD PRO 115 16.651 2.433 5.202 875 H SER 116 H SER 116 18.531 -0.619 7.103 876 HA SER 116 HA SER 116 21.049 -2.230 7.173 877 HB2 SER 116 2HB SER 116 20.825 -1.192 9.382 878 HB3 SER 116 3HB SER 116 19.160 -1.756 9.503 879 HG SER 116 HG SER 116 21.150 -3.631 8.938 880 H ALA 117 H ALA 117 20.548 -4.538 7.745 881 HA ALA 117 HA ALA 117 18.565 -5.616 5.994 882 HB1 ALA 117 3HB ALA 117 20.674 -6.750 6.864 883 HB2 ALA 117 1HB ALA 117 19.219 -7.748 6.875 884 HB3 ALA 117 2HB ALA 117 19.800 -7.020 8.373 885 H GLU 118 H GLU 118 18.440 -4.553 9.297 886 HA GLU 118 HA GLU 118 16.246 -6.040 10.295 887 HB2 GLU 118 2HB GLU 118 17.015 -3.149 10.797 888 HB3 GLU 118 3HB GLU 118 15.880 -4.070 11.782 889 HG2 GLU 118 2HG GLU 118 18.769 -4.857 11.305 890 HG3 GLU 118 3HG GLU 118 18.185 -4.021 12.745 891 H GLN 119 H GLN 119 16.281 -2.966 8.491 892 HA GLN 119 HA GLN 119 13.416 -2.672 8.452 893 HB2 GLN 119 2HB GLN 119 15.644 -1.506 6.770 894 HB3 GLN 119 3HB GLN 119 13.952 -1.073 6.531 895 HG2 GLN 119 2HG GLN 119 14.853 0.590 7.995 896 HG3 GLN 119 3HG GLN 119 13.894 -0.475 9.020 897 HE21 GLN 119 1HE2 GLN 119 15.095 -0.368 10.974 898 HE22 GLN 119 2HE2 GLN 119 16.728 -0.811 11.098 899 H CYS 120 H CYS 120 15.716 -4.384 6.434 900 HA CYS 120 HA CYS 120 14.150 -4.749 4.107 901 HB2 CYS 120 2HB CYS 120 16.596 -5.453 4.607 902 HB3 CYS 120 3HB CYS 120 15.885 -6.941 5.231 903 HG CYS 120 HG CYS 120 14.814 -7.327 2.840 904 H ALA 121 H ALA 121 14.547 -7.097 6.764 905 HA ALA 121 HA ALA 121 12.291 -8.698 5.965 906 HB1 ALA 121 3HB ALA 121 12.663 -9.896 8.020 907 HB2 ALA 121 1HB ALA 121 13.530 -8.532 8.723 908 HB3 ALA 121 2HB ALA 121 14.248 -9.444 7.395 909 H GLY 122 H GLY 122 12.684 -5.905 8.038 910 HA2 GLY 122 2HA GLY 122 10.205 -6.131 9.466 911 HA3 GLY 122 3HA GLY 122 11.128 -4.643 9.256 912 H HIS 123 H HIS 123 11.080 -4.267 6.541 913 HA HIS 123 HA HIS 123 8.423 -3.246 6.121 914 HB2 HIS 123 2HB HIS 123 9.284 -2.300 4.159 915 HB3 HIS 123 3HB HIS 123 10.742 -2.486 5.132 916 HD1 HIS 123 HD1 HIS 123 12.566 -3.965 4.191 917 HD2 HIS 123 HD2 HIS 123 8.953 -4.464 2.181 918 HE1 HIS 123 HE1 HIS 123 13.045 -5.493 2.218 919 H GLU 124 H GLU 124 10.192 -5.982 4.673 920 HA GLU 124 HA GLU 124 8.167 -6.822 2.886 921 HB2 GLU 124 2HB GLU 124 10.568 -7.676 3.059 922 HB3 GLU 124 3HB GLU 124 10.017 -8.684 4.397 923 HG2 GLU 124 2HG GLU 124 8.682 -8.735 1.680 924 HG3 GLU 124 3HG GLU 124 10.026 -9.795 2.098 925 H GLU 125 H GLU 125 8.779 -7.843 6.257 926 HA GLU 125 HA GLU 125 6.460 -9.571 6.354 927 HB2 GLU 125 2HB GLU 125 8.433 -9.797 7.876 928 HB3 GLU 125 3HB GLU 125 7.962 -8.284 8.652 929 HG2 GLU 125 2HG GLU 125 5.798 -9.253 9.283 930 HG3 GLU 125 3HG GLU 125 6.221 -10.760 8.472 931 H GLY 126 H GLY 126 7.110 -6.217 7.303 932 HA2 GLY 126 2HA GLY 126 4.595 -5.754 8.599 933 HA3 GLY 126 3HA GLY 126 5.647 -4.499 7.944 934 H TRP 127 H TRP 127 5.681 -4.906 5.295 935 HA TRP 127 HA TRP 127 3.119 -3.977 4.419 936 HB2 TRP 127 2HB TRP 127 5.558 -4.986 2.950 937 HB3 TRP 127 3HB TRP 127 4.115 -4.434 2.101 938 HD1 TRP 127 HD1 TRP 127 7.290 -3.172 3.284 939 HE1 TRP 127 HE1 TRP 127 7.263 -0.604 3.532 940 HE3 TRP 127 HE3 TRP 127 2.259 -2.313 3.051 941 HZ2 TRP 127 HZ2 TRP 127 5.358 1.528 3.627 942 HZ3 TRP 127 HZ3 TRP 127 1.367 -0.011 3.228 943 HH2 TRP 127 HH2 TRP 127 2.909 1.910 3.513 944 H ALA 128 H ALA 128 4.674 -7.154 4.312 945 HA ALA 128 HA ALA 128 2.793 -8.479 2.651 946 HB1 ALA 128 3HB ALA 128 3.558 -10.545 3.905 947 HB2 ALA 128 1HB ALA 128 4.500 -9.474 4.943 948 HB3 ALA 128 2HB ALA 128 4.859 -9.570 3.220 949 H HIS 129 H HIS 129 2.871 -8.226 6.220 950 HA HIS 129 HA HIS 129 0.322 -9.565 6.539 951 HB2 HIS 129 2HB HIS 129 2.018 -7.876 8.388 952 HB3 HIS 129 3HB HIS 129 0.504 -8.625 8.893 953 HD1 HIS 129 HD1 HIS 129 1.617 -10.319 10.494 954 HD2 HIS 129 HD2 HIS 129 3.015 -10.585 6.576 955 HE1 HIS 129 HE1 HIS 129 2.966 -12.459 10.358 956 H TYR 130 H TYR 130 1.352 -6.155 6.543 957 HA TYR 130 HA TYR 130 -1.186 -5.030 7.217 958 HB2 TYR 130 2HB TYR 130 1.264 -4.010 5.798 959 HB3 TYR 130 3HB TYR 130 -0.185 -3.017 5.820 960 HD1 TYR 130 HD2 TYR 130 1.273 -5.295 8.438 961 HD2 TYR 130 HD1 TYR 130 0.193 -1.280 7.347 962 HE1 TYR 130 HE2 TYR 130 1.808 -4.532 10.723 963 HE2 TYR 130 HE1 TYR 130 0.739 -0.520 9.643 964 HH TYR 130 HH TYR 130 2.497 -2.353 11.814 965 H LEU 131 H LEU 131 0.299 -5.694 4.047 966 HA LEU 131 HA LEU 131 -1.900 -4.741 2.488 967 HB2 LEU 131 2HB LEU 131 0.268 -6.773 1.922 968 HB3 LEU 131 3HB LEU 131 -0.896 -6.260 0.705 969 HG LEU 131 HG LEU 131 0.818 -4.294 2.249 970 HD11 LEU 131 1HD1 LEU 131 2.307 -4.258 0.267 971 HD12 LEU 131 2HD1 LEU 131 1.387 -5.588 -0.437 972 HD13 LEU 131 3HD1 LEU 131 2.304 -5.839 1.048 973 HD21 LEU 131 3HD2 LEU 131 -0.934 -4.160 -0.216 974 HD22 LEU 131 1HD2 LEU 131 0.356 -2.986 0.035 975 HD23 LEU 131 2HD2 LEU 131 -0.951 -3.114 1.201 976 H GLY 132 H GLY 132 -1.139 -7.931 3.827 977 HA2 GLY 132 2HA GLY 132 -3.239 -9.376 2.579 978 HA3 GLY 132 3HA GLY 132 -2.511 -9.806 4.128 979 H ARG 133 H ARG 133 -3.199 -7.469 5.581 980 HA ARG 133 HA ARG 133 -5.878 -8.112 6.380 981 HB2 ARG 133 2HB ARG 133 -4.080 -5.746 6.949 982 HB3 ARG 133 3HB ARG 133 -5.665 -5.937 7.695 983 HG2 ARG 133 2HG ARG 133 -3.782 -8.275 7.854 984 HG3 ARG 133 3HG ARG 133 -3.413 -6.873 8.854 985 HD2 ARG 133 2HD ARG 133 -4.808 -8.456 10.105 986 HD3 ARG 133 3HD ARG 133 -5.690 -6.959 9.819 987 HE ARG 133 HE ARG 133 -7.158 -8.135 8.371 988 HH11 ARG 133 1HH2 ARG 133 -4.391 -9.999 9.260 989 HH12 ARG 133 2HH2 ARG 133 -5.029 -11.482 8.632 990 HH21 ARG 133 1HH1 ARG 133 -7.994 -10.056 7.545 991 HH22 ARG 133 2HH1 ARG 133 -7.067 -11.513 7.662 992 H LEU 134 H LEU 134 -4.521 -5.507 4.397 993 HA LEU 134 HA LEU 134 -6.958 -4.060 4.047 994 HB2 LEU 134 2HB LEU 134 -4.773 -3.084 3.513 995 HB3 LEU 134 3HB LEU 134 -4.534 -4.272 2.234 996 HG LEU 134 HG LEU 134 -6.449 -3.379 0.996 997 HD11 LEU 134 1HD1 LEU 134 -8.012 -2.615 2.555 998 HD12 LEU 134 2HD1 LEU 134 -7.353 -1.096 1.955 999 HD13 LEU 134 3HD1 LEU 134 -6.804 -1.745 3.500 1000 HD21 LEU 134 3HD2 LEU 134 -4.204 -2.343 0.700 1001 HD22 LEU 134 1HD2 LEU 134 -4.616 -1.149 1.931 1002 HD23 LEU 134 2HD2 LEU 134 -5.512 -1.195 0.412 1003 H THR 135 H THR 135 -5.481 -6.697 2.189 1004 HA THR 135 HA THR 135 -7.307 -6.706 0.010 1005 HB THR 135 HB THR 135 -6.015 -9.152 1.235 1006 HG1 THR 135 HG1 THR 135 -4.928 -7.315 -0.632 1007 HG21 THR 135 3HG2 THR 135 -6.015 -9.953 -1.079 1008 HG22 THR 135 1HG2 THR 135 -6.731 -8.436 -1.623 1009 HG23 THR 135 2HG2 THR 135 -7.653 -9.527 -0.587 1010 H GLU 136 H GLU 136 -7.440 -8.392 3.142 1011 HA GLU 136 HA GLU 136 -9.843 -9.848 2.632 1012 HB2 GLU 136 2HB GLU 136 -8.681 -8.790 5.225 1013 HB3 GLU 136 3HB GLU 136 -10.005 -9.948 5.127 1014 HG2 GLU 136 2HG GLU 136 -7.262 -10.391 3.916 1015 HG3 GLU 136 3HG GLU 136 -7.775 -11.031 5.476 1016 H VAL 137 H VAL 137 -9.307 -6.621 4.061 1017 HA VAL 137 HA VAL 137 -12.064 -6.109 4.665 1018 HB VAL 137 HB VAL 137 -9.754 -4.229 4.111 1019 HG11 VAL 137 1HG1 VAL 137 -11.704 -2.926 3.740 1020 HG12 VAL 137 2HG1 VAL 137 -11.266 -2.608 5.418 1021 HG13 VAL 137 3HG1 VAL 137 -12.583 -3.721 5.046 1022 HG21 VAL 137 3HG2 VAL 137 -11.012 -5.373 6.618 1023 HG22 VAL 137 1HG2 VAL 137 -9.938 -3.975 6.642 1024 HG23 VAL 137 2HG2 VAL 137 -9.342 -5.536 6.077 1025 H ALA 138 H ALA 138 -10.078 -5.273 1.808 1026 HA ALA 138 HA ALA 138 -12.156 -3.855 0.432 1027 HB1 ALA 138 3HB ALA 138 -9.653 -3.919 -0.131 1028 HB2 ALA 138 1HB ALA 138 -10.764 -4.005 -1.500 1029 HB3 ALA 138 2HB ALA 138 -9.976 -5.469 -0.908 1030 H ALA 139 H ALA 139 -11.226 -7.257 0.537 1031 HA ALA 139 HA ALA 139 -13.411 -7.992 -1.326 1032 HB1 ALA 139 3HB ALA 139 -11.056 -9.046 -1.319 1033 HB2 ALA 139 1HB ALA 139 -12.425 -10.157 -1.360 1034 HB3 ALA 139 2HB ALA 139 -11.564 -9.877 0.153 1035 H GLY 140 H GLY 140 -13.154 -7.256 1.887 1036 HA2 GLY 140 2HA GLY 140 -15.481 -9.001 2.588 1037 HA3 GLY 140 3HA GLY 140 -14.113 -8.858 3.693 1038 H ARG 141 H ARG 141 -15.390 -7.897 5.331 1039 HA ARG 141 HA ARG 141 -15.876 -4.997 4.936 1040 HB2 ARG 141 2HB ARG 141 -18.038 -6.148 4.423 1041 HB3 ARG 141 3HB ARG 141 -18.000 -6.870 6.030 1042 HG2 ARG 141 2HG ARG 141 -18.014 -4.632 7.056 1043 HG3 ARG 141 3HG ARG 141 -18.025 -3.891 5.456 1044 HD2 ARG 141 2HD ARG 141 -20.177 -5.089 4.977 1045 HD3 ARG 141 3HD ARG 141 -20.175 -5.671 6.638 1046 HE ARG 141 HE ARG 141 -20.691 -3.466 7.393 1047 HH11 ARG 141 1HH2 ARG 141 -20.029 -3.620 4.001 1048 HH12 ARG 141 2HH2 ARG 141 -20.643 -2.033 3.683 1049 HH21 ARG 141 1HH1 ARG 141 -21.490 -1.401 6.981 1050 HH22 ARG 141 2HH1 ARG 141 -21.466 -0.779 5.365 1051 H ASP 142 H ASP 142 -15.586 -7.794 7.095 1052 HA ASP 142 HA ASP 142 -14.402 -6.024 9.145 1053 HB2 ASP 142 2HB ASP 142 -15.913 -6.856 10.924 1054 HB3 ASP 142 3HB ASP 142 -16.784 -5.936 9.697 1055 HA PRO 143 HA PRO 143 -12.661 -10.372 8.856 1056 HB2 PRO 143 2HB PRO 143 -10.050 -9.679 8.400 1057 HB3 PRO 143 3HB PRO 143 -11.243 -9.880 7.102 1058 HG2 PRO 143 2HG PRO 143 -10.245 -7.374 8.381 1059 HG3 PRO 143 3HG PRO 143 -10.589 -7.709 6.674 1060 HD2 PRO 143 2HD PRO 143 -12.317 -6.330 8.297 1061 HD3 PRO 143 3HD PRO 143 -12.864 -7.299 6.912 1062 H GLY 144 H GLY 144 -11.300 -11.448 10.389 1063 HA2 GLY 144 2HA GLY 144 -10.598 -11.805 12.599 1064 HA3 GLY 144 3HA GLY 144 -9.611 -10.374 12.310 1065 HA PRO 145 HA PRO 145 -12.508 -9.550 15.902 1066 HB2 PRO 145 2HB PRO 145 -10.089 -7.966 16.679 1067 HB3 PRO 145 3HB PRO 145 -11.078 -9.058 17.662 1068 HG2 PRO 145 2HG PRO 145 -8.654 -9.772 16.809 1069 HG3 PRO 145 3HG PRO 145 -9.982 -10.945 16.904 1070 HD2 PRO 145 2HD PRO 145 -8.831 -9.592 14.484 1071 HD3 PRO 145 3HD PRO 145 -9.459 -11.248 14.657 1072 H ASP 146 H ASP 146 -10.445 -7.487 13.922 1073 HA ASP 146 HA ASP 146 -10.799 -5.376 12.987 1074 HB2 ASP 146 2HB ASP 146 -12.938 -6.533 12.278 1075 HB3 ASP 146 3HB ASP 146 -13.717 -5.799 13.678 1076 HA PRO 147 HA PRO 147 -11.205 -3.690 17.358 1077 HB2 PRO 147 2HB PRO 147 -8.593 -2.868 17.649 1078 HB3 PRO 147 3HB PRO 147 -9.174 -4.480 18.116 1079 HG2 PRO 147 2HG PRO 147 -7.679 -3.640 15.678 1080 HG3 PRO 147 3HG PRO 147 -7.544 -5.130 16.631 1081 HD2 PRO 147 2HD PRO 147 -8.901 -4.980 14.236 1082 HD3 PRO 147 3HD PRO 147 -9.280 -6.162 15.497 1083 H PHE 148 H PHE 148 -11.435 -1.506 17.855 1084 HA PHE 148 HA PHE 148 -10.317 0.575 16.128 1085 HB2 PHE 148 2HB PHE 148 -12.495 1.477 15.430 1086 HB3 PHE 148 3HB PHE 148 -12.322 -0.179 14.849 1087 HD1 PHE 148 HD1 PHE 148 -13.549 -2.035 15.936 1088 HD2 PHE 148 HD2 PHE 148 -14.097 2.050 17.149 1089 HE1 PHE 148 HE1 PHE 148 -15.628 -2.668 17.134 1090 HE2 PHE 148 HE2 PHE 148 -16.173 1.417 18.347 1091 HZ PHE 148 HZ PHE 148 -16.940 -0.943 18.338 1092 H TYR 149 H TYR 149 -10.592 -0.427 19.006 1093 HA TYR 149 HA TYR 149 -12.132 1.550 20.430 1094 HB2 TYR 149 2HB TYR 149 -9.897 -0.293 21.320 1095 HB3 TYR 149 3HB TYR 149 -10.846 0.711 22.418 1096 HD1 TYR 149 HD1 TYR 149 -13.309 0.347 22.642 1097 HD2 TYR 149 HD2 TYR 149 -10.813 -2.298 20.355 1098 HE1 TYR 149 HE1 TYR 149 -15.102 -1.366 22.667 1099 HE2 TYR 149 HE2 TYR 149 -12.606 -4.011 20.380 1100 HH TYR 149 HH TYR 149 -14.572 -4.601 21.328 1101 H GLY 150 H GLY 150 -11.508 3.507 21.264 1102 HA2 GLY 150 2HA GLY 150 -8.791 4.515 20.493 1103 HA3 GLY 150 3HA GLY 150 -10.218 5.526 20.718 1104 H ARG 151 H ARG 151 -11.197 4.544 23.138 1105 HA ARG 151 HA ARG 151 -9.125 4.343 25.135 1106 HB2 ARG 151 2HB ARG 151 -9.494 6.555 26.203 1107 HB3 ARG 151 3HB ARG 151 -8.787 6.705 24.595 1108 HG2 ARG 151 2HG ARG 151 -11.049 7.122 23.660 1109 HG3 ARG 151 3HG ARG 151 -11.720 7.036 25.291 1110 HD2 ARG 151 2HD ARG 151 -11.347 9.378 24.683 1111 HD3 ARG 151 3HD ARG 151 -10.240 8.913 25.974 1112 HE ARG 151 HE ARG 151 -8.425 9.080 24.444 1113 HH11 ARG 151 1HH2 ARG 151 -11.508 9.344 22.906 1114 HH12 ARG 151 2HH2 ARG 151 -10.850 9.880 21.397 1115 HH21 ARG 151 1HH1 ARG 151 -7.562 9.775 22.483 1116 HH22 ARG 151 2HH1 ARG 151 -8.619 10.124 21.156 1117 H ARG 152 H ARG 152 -9.987 3.620 27.042 1118 HA ARG 152 HA ARG 152 -12.909 3.175 27.098 1119 HB2 ARG 152 2HB ARG 152 -10.624 2.183 28.818 1120 HB3 ARG 152 3HB ARG 152 -12.317 1.798 29.138 1121 HG2 ARG 152 2HG ARG 152 -12.522 0.804 26.890 1122 HG3 ARG 152 3HG ARG 152 -10.833 1.197 26.558 1123 HD2 ARG 152 2HD ARG 152 -10.139 -0.222 28.463 1124 HD3 ARG 152 3HD ARG 152 -11.826 -0.642 28.758 1125 HE ARG 152 HE ARG 152 -10.149 -1.630 26.543 1126 HH11 ARG 152 1HH2 ARG 152 -13.295 -1.199 27.908 1127 HH12 ARG 152 2HH2 ARG 152 -14.008 -2.481 26.990 1128 HH21 ARG 152 1HH1 ARG 152 -11.070 -3.299 25.345 1129 HH22 ARG 152 2HH1 ARG 152 -12.750 -3.668 25.540 1130 H LEU 153 H LEU 153 -14.263 4.018 28.686 1131 HA LEU 153 HA LEU 153 -13.222 6.402 30.109 1132 HB2 LEU 153 2HB LEU 153 -15.845 6.471 30.676 1133 HB3 LEU 153 3HB LEU 153 -15.227 7.034 29.127 1134 HG LEU 153 HG LEU 153 -15.907 4.112 29.381 1135 HD11 LEU 153 1HD1 LEU 153 -17.965 6.300 28.978 1136 HD12 LEU 153 2HD1 LEU 153 -17.848 5.242 30.384 1137 HD13 LEU 153 3HD1 LEU 153 -18.256 4.570 28.805 1138 HD21 LEU 153 3HD2 LEU 153 -16.522 6.006 27.103 1139 HD22 LEU 153 1HD2 LEU 153 -16.264 4.264 27.045 1140 HD23 LEU 153 2HD2 LEU 153 -14.903 5.349 27.312 1141 H GLU 154 H GLU 154 -12.880 6.407 32.269 1142 HA GLU 154 HA GLU 154 -13.943 4.123 33.903 1143 HB2 GLU 154 2HB GLU 154 -11.283 5.571 34.097 1144 HB3 GLU 154 3HB GLU 154 -11.870 4.404 35.281 1145 HG2 GLU 154 2HG GLU 154 -10.547 3.062 33.879 1146 HG3 GLU 154 3HG GLU 154 -12.159 2.810 33.217 1147 H HIS 155 H HIS 155 -15.571 4.995 35.061 1148 HA HIS 155 HA HIS 155 -15.398 7.798 36.002 1149 HB2 HIS 155 2HB HIS 155 -17.516 7.142 35.040 1150 HB3 HIS 155 3HB HIS 155 -17.606 5.721 36.080 1151 HD1 HIS 155 HD1 HIS 155 -17.342 9.510 36.500 1152 HD2 HIS 155 HD2 HIS 155 -19.032 6.204 38.393 1153 HE1 HIS 155 HE1 HIS 155 -18.655 10.407 38.470 1154 H HIS 156 H HIS 156 -14.811 8.290 38.056 1155 HA HIS 156 HA HIS 156 -14.935 6.148 40.151 1156 HB2 HIS 156 2HB HIS 156 -12.685 8.118 39.636 1157 HB3 HIS 156 3HB HIS 156 -12.787 7.051 41.037 1158 HD1 HIS 156 HD1 HIS 156 -12.807 4.413 40.483 1159 HD2 HIS 156 HD2 HIS 156 -11.657 6.899 37.341 1160 HE1 HIS 156 HE1 HIS 156 -11.670 2.929 38.776 1161 H HIS 157 H HIS 157 -15.857 6.808 42.019 1162 HA HIS 157 HA HIS 157 -16.788 9.612 42.223 1163 HB2 HIS 157 2HB HIS 157 -18.005 8.659 44.261 1164 HB3 HIS 157 3HB HIS 157 -18.475 7.979 42.703 1165 HD1 HIS 157 HD1 HIS 157 -17.335 6.995 46.002 1166 HD2 HIS 157 HD2 HIS 157 -16.984 5.414 42.158 1167 HE1 HIS 157 HE1 HIS 157 -16.673 4.565 46.281 1168 H HIS 158 H HIS 158 -14.241 7.639 43.343 1169 HA HIS 158 HA HIS 158 -13.841 8.861 45.926 1170 HB2 HIS 158 2HB HIS 158 -11.975 7.318 44.106 1171 HB3 HIS 158 3HB HIS 158 -11.540 7.848 45.731 1172 HD1 HIS 158 HD1 HIS 158 -12.924 6.804 47.733 1173 HD2 HIS 158 HD2 HIS 158 -13.668 5.074 44.014 1174 HE1 HIS 158 HE1 HIS 158 -14.147 4.634 48.186 1175 H HIS 159 H HIS 159 -12.559 10.588 46.497 1176 HA HIS 159 HA HIS 159 -12.076 12.649 44.554 1177 HB2 HIS 159 2HB HIS 159 -11.092 12.294 47.398 1178 HB3 HIS 159 3HB HIS 159 -10.903 13.776 46.462 1179 HD1 HIS 159 HD1 HIS 159 -13.181 14.975 45.704 1180 HD2 HIS 159 HD2 HIS 159 -13.616 11.964 48.557 1181 HE1 HIS 159 HE1 HIS 159 -15.490 15.261 46.702 1182 H HIS 160 H HIS 160 -9.962 10.275 46.149 1183 HA HIS 160 HA HIS 160 -7.523 11.325 44.983 1184 HB2 HIS 160 2HB HIS 160 -8.144 8.608 46.180 1185 HB3 HIS 160 3HB HIS 160 -6.528 9.190 45.781 1186 HD1 HIS 160 HD1 HIS 160 -5.753 11.419 47.097 1187 HD2 HIS 160 HD2 HIS 160 -9.082 9.457 48.662 1188 HE1 HIS 160 HE1 HIS 160 -6.075 12.314 49.444 Start of MODEL 7 1 H1 MET 1 1H MET 1 27.204 0.546 -18.001 2 H2 MET 1 2H MET 1 27.675 -0.791 -18.938 3 H3 MET 1 3H MET 1 28.751 -0.122 -17.805 4 HA MET 1 HA MET 1 26.510 -1.931 -17.400 5 HB2 MET 1 2HB MET 1 29.134 -1.364 -15.977 6 HB3 MET 1 3HB MET 1 28.021 -2.660 -15.539 7 HG2 MET 1 2HG MET 1 29.314 -2.348 -18.265 8 HG3 MET 1 3HG MET 1 29.877 -3.452 -17.013 9 HE1 MET 1 3HE MET 1 27.471 -6.167 -16.670 10 HE2 MET 1 1HE MET 1 26.934 -4.721 -15.805 11 HE3 MET 1 2HE MET 1 28.651 -5.095 -15.922 12 H GLU 2 H GLU 2 25.704 0.751 -17.246 13 HA GLU 2 HA GLU 2 25.764 1.709 -14.506 14 HB2 GLU 2 2HB GLU 2 25.402 3.078 -16.661 15 HB3 GLU 2 3HB GLU 2 23.742 2.496 -16.610 16 HG2 GLU 2 2HG GLU 2 23.715 4.590 -15.463 17 HG3 GLU 2 3HG GLU 2 23.672 3.370 -14.193 18 H LYS 3 H LYS 3 22.657 2.194 -15.224 19 HA LYS 3 HA LYS 3 20.663 1.383 -14.351 20 HB2 LYS 3 2HB LYS 3 22.011 -1.232 -15.086 21 HB3 LYS 3 3HB LYS 3 20.339 -1.118 -14.540 22 HG2 LYS 3 2HG LYS 3 19.830 0.422 -16.403 23 HG3 LYS 3 3HG LYS 3 21.502 0.305 -16.956 24 HD2 LYS 3 2HD LYS 3 21.215 -2.142 -17.247 25 HD3 LYS 3 3HD LYS 3 19.528 -1.987 -16.758 26 HE2 LYS 3 2HE LYS 3 20.740 -0.502 -19.105 27 HE3 LYS 3 3HE LYS 3 19.870 -2.028 -19.255 28 HZ1 LYS 3 3HZ LYS 3 18.100 -0.698 -17.866 29 HZ2 LYS 3 1HZ LYS 3 18.166 -0.579 -19.556 30 HZ3 LYS 3 2HZ LYS 3 18.860 0.635 -18.591 31 H ALA 4 H ALA 4 22.336 2.212 -12.417 32 HA ALA 4 HA ALA 4 22.746 0.114 -10.404 33 HB1 ALA 4 3HB ALA 4 22.989 3.120 -10.107 34 HB2 ALA 4 1HB ALA 4 24.295 2.077 -10.670 35 HB3 ALA 4 2HB ALA 4 23.665 1.897 -9.032 36 H MET 5 H MET 5 20.123 1.797 -11.484 37 HA MET 5 HA MET 5 18.007 2.217 -10.640 38 HB2 MET 5 2HB MET 5 18.991 -0.000 -8.849 39 HB3 MET 5 3HB MET 5 17.417 0.736 -8.561 40 HG2 MET 5 2HG MET 5 17.286 -1.271 -10.035 41 HG3 MET 5 3HG MET 5 16.704 0.193 -10.827 42 HE1 MET 5 3HE MET 5 18.794 -2.441 -13.171 43 HE2 MET 5 1HE MET 5 17.273 -2.278 -12.283 44 HE3 MET 5 2HE MET 5 18.708 -2.898 -11.471 45 HA PRO 6 HA PRO 6 18.530 5.384 -7.600 46 HB2 PRO 6 2HB PRO 6 15.948 5.776 -6.765 47 HB3 PRO 6 3HB PRO 6 16.541 6.284 -8.359 48 HG2 PRO 6 2HG PRO 6 14.994 3.836 -7.616 49 HG3 PRO 6 3HG PRO 6 14.781 4.923 -9.002 50 HD2 PRO 6 2HD PRO 6 16.075 2.536 -9.224 51 HD3 PRO 6 3HD PRO 6 16.516 3.951 -10.207 52 H GLU 7 H GLU 7 19.248 5.352 -5.559 53 HA GLU 7 HA GLU 7 19.659 4.682 -3.375 54 HB2 GLU 7 2HB GLU 7 16.681 4.176 -3.529 55 HB3 GLU 7 3HB GLU 7 17.613 4.075 -2.034 56 HG2 GLU 7 2HG GLU 7 18.335 6.395 -2.284 57 HG3 GLU 7 3HG GLU 7 17.503 6.512 -3.833 58 H SER 8 H SER 8 20.320 2.912 -2.233 59 HA SER 8 HA SER 8 20.332 0.374 -3.663 60 HB2 SER 8 2HB SER 8 21.829 -0.367 -1.884 61 HB3 SER 8 3HB SER 8 22.313 1.236 -2.431 62 HG SER 8 HG SER 8 22.208 1.543 -0.316 63 H PHE 9 H PHE 9 19.863 -1.674 -2.454 64 HA PHE 9 HA PHE 9 18.169 -3.054 -1.615 65 HB2 PHE 9 2HB PHE 9 18.348 -1.020 0.629 66 HB3 PHE 9 3HB PHE 9 17.655 -2.637 0.758 67 HD1 PHE 9 HD1 PHE 9 19.120 -4.657 0.339 68 HD2 PHE 9 HD2 PHE 9 20.708 -0.682 0.712 69 HE1 PHE 9 HE1 PHE 9 21.382 -5.596 0.735 70 HE2 PHE 9 HE2 PHE 9 22.968 -1.623 1.109 71 HZ PHE 9 HZ PHE 9 23.305 -4.080 1.121 72 H VAL 10 H VAL 10 16.423 -2.836 -2.946 73 HA VAL 10 HA VAL 10 14.338 -0.833 -2.150 74 HB VAL 10 HB VAL 10 15.158 -1.770 -4.912 75 HG11 VAL 10 1HG1 VAL 10 13.235 -0.162 -5.594 76 HG12 VAL 10 2HG1 VAL 10 12.643 -0.403 -3.949 77 HG13 VAL 10 3HG1 VAL 10 12.801 -1.779 -5.041 78 HG21 VAL 10 3HG2 VAL 10 16.496 0.074 -4.203 79 HG22 VAL 10 1HG2 VAL 10 15.117 0.888 -3.469 80 HG23 VAL 10 2HG2 VAL 10 15.241 0.777 -5.222 81 H VAL 11 H VAL 11 12.358 -1.664 -1.787 82 HA VAL 11 HA VAL 11 11.904 -4.563 -2.415 83 HB VAL 11 HB VAL 11 11.028 -2.879 -0.057 84 HG11 VAL 11 1HG1 VAL 11 9.903 -5.091 0.644 85 HG12 VAL 11 2HG1 VAL 11 10.031 -5.556 -1.054 86 HG13 VAL 11 3HG1 VAL 11 9.082 -4.142 -0.596 87 HG21 VAL 11 3HG2 VAL 11 12.179 -4.682 1.199 88 HG22 VAL 11 1HG2 VAL 11 13.270 -3.886 0.064 89 HG23 VAL 11 2HG2 VAL 11 12.590 -5.466 -0.327 90 H ARG 12 H ARG 12 10.154 -5.007 -3.627 91 HA ARG 12 HA ARG 12 8.068 -2.887 -4.002 92 HB2 ARG 12 2HB ARG 12 9.404 -4.624 -6.093 93 HB3 ARG 12 3HB ARG 12 7.922 -3.713 -6.387 94 HG2 ARG 12 2HG ARG 12 9.080 -1.618 -5.818 95 HG3 ARG 12 3HG ARG 12 10.559 -2.517 -5.481 96 HD2 ARG 12 2HD ARG 12 10.641 -3.286 -7.819 97 HD3 ARG 12 3HD ARG 12 9.143 -2.422 -8.163 98 HE ARG 12 HE ARG 12 10.945 -0.530 -7.098 99 HH11 ARG 12 1HH2 ARG 12 10.651 -2.635 -9.825 100 HH12 ARG 12 2HH2 ARG 12 11.572 -1.610 -10.873 101 HH21 ARG 12 1HH1 ARG 12 12.140 0.805 -8.457 102 HH22 ARG 12 2HH1 ARG 12 12.414 0.333 -10.101 103 H ARG 13 H ARG 13 6.020 -3.629 -3.788 104 HA ARG 13 HA ARG 13 5.523 -6.566 -3.928 105 HB2 ARG 13 2HB ARG 13 4.816 -4.685 -1.674 106 HB3 ARG 13 3HB ARG 13 3.977 -6.218 -1.906 107 HG2 ARG 13 2HG ARG 13 6.994 -6.141 -1.803 108 HG3 ARG 13 3HG ARG 13 6.055 -6.138 -0.311 109 HD2 ARG 13 2HD ARG 13 4.891 -8.211 -1.072 110 HD3 ARG 13 3HD ARG 13 5.920 -8.244 -2.497 111 HE ARG 13 HE ARG 13 7.449 -8.137 -0.037 112 HH11 ARG 13 1HH2 ARG 13 5.720 -10.119 -2.278 113 HH12 ARG 13 2HH2 ARG 13 6.605 -11.555 -1.888 114 HH21 ARG 13 1HH1 ARG 13 8.602 -9.998 0.477 115 HH22 ARG 13 2HH1 ARG 13 8.236 -11.486 -0.328 116 H GLU 14 H GLU 14 3.330 -7.128 -4.335 117 HA GLU 14 HA GLU 14 1.569 -4.915 -5.263 118 HB2 GLU 14 2HB GLU 14 2.815 -5.801 -7.231 119 HB3 GLU 14 3HB GLU 14 2.180 -7.407 -6.873 120 HG2 GLU 14 2HG GLU 14 -0.098 -6.613 -7.159 121 HG3 GLU 14 3HG GLU 14 0.478 -4.969 -7.437 122 H ALA 15 H ALA 15 -0.678 -5.501 -5.300 123 HA ALA 15 HA ALA 15 -1.392 -8.147 -4.144 124 HB1 ALA 15 3HB ALA 15 -2.892 -7.019 -2.492 125 HB2 ALA 15 1HB ALA 15 -2.183 -5.472 -2.955 126 HB3 ALA 15 2HB ALA 15 -1.184 -6.707 -2.190 127 H HIS 16 H HIS 16 -3.559 -8.747 -4.587 128 HA HIS 16 HA HIS 16 -4.829 -7.194 -6.802 129 HB2 HIS 16 2HB HIS 16 -5.129 -10.073 -5.910 130 HB3 HIS 16 3HB HIS 16 -6.053 -9.340 -7.220 131 HD1 HIS 16 HD1 HIS 16 -4.705 -8.597 -9.359 132 HD2 HIS 16 HD2 HIS 16 -2.462 -10.735 -6.568 133 HE1 HIS 16 HE1 HIS 16 -2.578 -9.301 -10.537 134 H LEU 17 H LEU 17 -6.568 -6.016 -6.286 135 HA LEU 17 HA LEU 17 -8.211 -6.810 -3.906 136 HB2 LEU 17 2HB LEU 17 -7.643 -4.063 -5.057 137 HB3 LEU 17 3HB LEU 17 -8.794 -4.384 -3.761 138 HG LEU 17 HG LEU 17 -6.684 -5.614 -2.653 139 HD11 LEU 17 1HD1 LEU 17 -5.441 -3.565 -4.510 140 HD12 LEU 17 2HD1 LEU 17 -5.126 -5.299 -4.486 141 HD13 LEU 17 3HD1 LEU 17 -4.611 -4.292 -3.136 142 HD21 LEU 17 3HD2 LEU 17 -7.896 -3.726 -1.657 143 HD22 LEU 17 1HD2 LEU 17 -7.037 -2.601 -2.710 144 HD23 LEU 17 2HD2 LEU 17 -6.157 -3.505 -1.477 145 H ALA 18 H ALA 18 -10.296 -7.206 -4.261 146 HA ALA 18 HA ALA 18 -11.345 -7.056 -6.997 147 HB1 ALA 18 3HB ALA 18 -12.417 -8.127 -4.376 148 HB2 ALA 18 1HB ALA 18 -11.884 -9.052 -5.782 149 HB3 ALA 18 2HB ALA 18 -13.376 -8.114 -5.856 150 H ALA 19 H ALA 19 -10.983 -4.815 -4.664 151 HA ALA 19 HA ALA 19 -13.682 -3.592 -4.962 152 HB1 ALA 19 3HB ALA 19 -13.044 -3.495 -2.706 153 HB2 ALA 19 1HB ALA 19 -12.578 -1.899 -3.293 154 HB3 ALA 19 2HB ALA 19 -11.359 -3.160 -3.103 155 HA PRO 20 HA PRO 20 -12.221 -0.712 -8.012 156 HB2 PRO 20 2HB PRO 20 -13.723 1.530 -7.357 157 HB3 PRO 20 3HB PRO 20 -14.358 0.124 -8.234 158 HG2 PRO 20 2HG PRO 20 -14.611 0.826 -5.346 159 HG3 PRO 20 3HG PRO 20 -15.806 0.108 -6.442 160 HD2 PRO 20 2HD PRO 20 -14.418 -1.378 -4.625 161 HD3 PRO 20 3HD PRO 20 -14.954 -2.037 -6.184 162 HA PRO 21 HA PRO 21 -8.973 1.817 -6.380 163 HB2 PRO 21 2HB PRO 21 -9.112 4.064 -8.027 164 HB3 PRO 21 3HB PRO 21 -8.352 2.530 -8.485 165 HG2 PRO 21 2HG PRO 21 -11.064 3.577 -9.161 166 HG3 PRO 21 3HG PRO 21 -9.928 2.655 -10.165 167 HD2 PRO 21 2HD PRO 21 -12.088 1.486 -9.014 168 HD3 PRO 21 3HD PRO 21 -10.559 0.608 -9.238 169 H ALA 22 H ALA 22 -12.090 3.403 -6.839 170 HA ALA 22 HA ALA 22 -11.594 5.705 -5.207 171 HB1 ALA 22 3HB ALA 22 -13.514 5.464 -6.786 172 HB2 ALA 22 1HB ALA 22 -14.022 5.950 -5.169 173 HB3 ALA 22 2HB ALA 22 -14.220 4.277 -5.690 174 H ALA 23 H ALA 23 -12.771 2.454 -4.478 175 HA ALA 23 HA ALA 23 -13.488 2.955 -1.746 176 HB1 ALA 23 3HB ALA 23 -14.298 0.950 -2.781 177 HB2 ALA 23 1HB ALA 23 -13.160 0.434 -1.538 178 HB3 ALA 23 2HB ALA 23 -12.666 0.452 -3.230 179 H VAL 24 H VAL 24 -10.460 1.903 -3.281 180 HA VAL 24 HA VAL 24 -8.999 1.397 -0.874 181 HB VAL 24 HB VAL 24 -8.089 2.264 -3.628 182 HG11 VAL 24 1HG1 VAL 24 -5.861 1.282 -2.799 183 HG12 VAL 24 2HG1 VAL 24 -6.524 1.448 -1.173 184 HG13 VAL 24 3HG1 VAL 24 -6.299 2.875 -2.186 185 HG21 VAL 24 3HG2 VAL 24 -8.082 -0.427 -2.222 186 HG22 VAL 24 1HG2 VAL 24 -7.483 -0.116 -3.852 187 HG23 VAL 24 2HG2 VAL 24 -9.202 0.058 -3.497 188 H PHE 25 H PHE 25 -9.214 4.322 -2.904 189 HA PHE 25 HA PHE 25 -7.522 5.950 -1.262 190 HB2 PHE 25 2HB PHE 25 -8.102 6.590 -3.560 191 HB3 PHE 25 3HB PHE 25 -9.794 6.757 -3.096 192 HD1 PHE 25 HD1 PHE 25 -6.370 8.050 -2.343 193 HD2 PHE 25 HD2 PHE 25 -10.600 8.782 -2.166 194 HE1 PHE 25 HE1 PHE 25 -5.937 10.374 -1.594 195 HE2 PHE 25 HE2 PHE 25 -10.166 11.107 -1.418 196 HZ PHE 25 HZ PHE 25 -7.834 11.902 -1.132 197 H ALA 26 H ALA 26 -11.047 5.507 -1.338 198 HA ALA 26 HA ALA 26 -11.702 7.407 0.680 199 HB1 ALA 26 3HB ALA 26 -13.389 6.340 -0.776 200 HB2 ALA 26 1HB ALA 26 -13.793 6.111 0.925 201 HB3 ALA 26 2HB ALA 26 -13.076 4.789 0.004 202 H LEU 27 H LEU 27 -10.708 4.032 0.858 203 HA LEU 27 HA LEU 27 -11.163 3.652 3.655 204 HB2 LEU 27 2HB LEU 27 -9.358 2.369 1.613 205 HB3 LEU 27 3HB LEU 27 -9.277 1.882 3.303 206 HG LEU 27 HG LEU 27 -11.923 1.977 1.840 207 HD11 LEU 27 1HD1 LEU 27 -9.817 -0.188 1.763 208 HD12 LEU 27 2HD1 LEU 27 -10.724 0.516 0.424 209 HD13 LEU 27 3HD1 LEU 27 -11.528 -0.565 1.557 210 HD21 LEU 27 3HD2 LEU 27 -12.353 0.076 3.522 211 HD22 LEU 27 1HD2 LEU 27 -12.193 1.692 4.196 212 HD23 LEU 27 2HD2 LEU 27 -10.848 0.559 4.299 213 H MET 28 H MET 28 -8.367 4.851 1.840 214 HA MET 28 HA MET 28 -6.783 5.209 4.285 215 HB2 MET 28 2HB MET 28 -6.312 5.992 1.399 216 HB3 MET 28 3HB MET 28 -5.155 6.286 2.696 217 HG2 MET 28 2HG MET 28 -5.061 3.874 3.176 218 HG3 MET 28 3HG MET 28 -6.241 3.568 1.902 219 HE1 MET 28 3HE MET 28 -4.874 1.955 0.477 220 HE2 MET 28 1HE MET 28 -3.780 1.956 1.868 221 HE3 MET 28 2HE MET 28 -3.136 2.108 0.235 222 H THR 29 H THR 29 -9.276 6.890 2.834 223 HA THR 29 HA THR 29 -8.268 9.572 3.659 224 HB THR 29 HB THR 29 -10.886 8.870 2.313 225 HG1 THR 29 HG1 THR 29 -8.433 9.686 1.154 226 HG21 THR 29 3HG2 THR 29 -9.314 11.457 2.362 227 HG22 THR 29 1HG2 THR 29 -10.667 11.104 3.438 228 HG23 THR 29 2HG2 THR 29 -10.927 11.206 1.697 229 H ASP 30 H ASP 30 -11.186 7.539 4.056 230 HA ASP 30 HA ASP 30 -12.316 9.119 6.106 231 HB2 ASP 30 2HB ASP 30 -13.569 7.402 4.850 232 HB3 ASP 30 3HB ASP 30 -12.663 6.149 5.699 233 HA PRO 31 HA PRO 31 -9.500 7.907 9.430 234 HB2 PRO 31 2HB PRO 31 -10.694 9.226 11.480 235 HB3 PRO 31 3HB PRO 31 -9.810 10.077 10.200 236 HG2 PRO 31 2HG PRO 31 -12.750 9.695 10.527 237 HG3 PRO 31 3HG PRO 31 -11.851 11.142 10.034 238 HD2 PRO 31 2HD PRO 31 -13.102 9.458 8.250 239 HD3 PRO 31 3HD PRO 31 -11.682 10.450 7.836 240 H GLU 32 H GLU 32 -12.999 7.527 9.757 241 HA GLU 32 HA GLU 32 -12.913 5.796 12.056 242 HB2 GLU 32 2HB GLU 32 -14.923 7.079 11.328 243 HB3 GLU 32 3HB GLU 32 -15.054 6.014 9.930 244 HG2 GLU 32 2HG GLU 32 -15.331 4.071 11.392 245 HG3 GLU 32 3HG GLU 32 -15.123 5.091 12.817 246 H LYS 33 H LYS 33 -13.123 5.153 8.562 247 HA LYS 33 HA LYS 33 -13.405 2.314 8.779 248 HB2 LYS 33 2HB LYS 33 -12.260 4.023 6.564 249 HB3 LYS 33 3HB LYS 33 -12.577 2.297 6.412 250 HG2 LYS 33 2HG LYS 33 -14.961 2.694 6.950 251 HG3 LYS 33 3HG LYS 33 -14.639 4.424 7.066 252 HD2 LYS 33 2HD LYS 33 -13.892 4.437 4.703 253 HD3 LYS 33 3HD LYS 33 -14.247 2.714 4.591 254 HE2 LYS 33 2HE LYS 33 -16.617 3.161 5.110 255 HE3 LYS 33 3HE LYS 33 -16.266 4.885 5.221 256 HZ1 LYS 33 3HZ LYS 33 -16.643 3.248 2.900 257 HZ2 LYS 33 1HZ LYS 33 -15.214 4.159 2.820 258 HZ3 LYS 33 2HZ LYS 33 -16.705 4.939 3.054 259 H ILE 34 H ILE 34 -10.527 4.387 8.639 260 HA ILE 34 HA ILE 34 -8.592 2.341 8.254 261 HB ILE 34 HB ILE 34 -8.441 4.978 9.737 262 HG12 ILE 34 2HG1 ILE 34 -7.280 4.147 7.063 263 HG13 ILE 34 3HG1 ILE 34 -8.854 4.921 7.234 264 HG21 ILE 34 1HG2 ILE 34 -6.334 2.880 9.235 265 HG22 ILE 34 2HG2 ILE 34 -6.645 3.815 10.699 266 HG23 ILE 34 3HG2 ILE 34 -5.887 4.584 9.308 267 HD11 ILE 34 3HD1 ILE 34 -6.813 6.441 6.745 268 HD12 ILE 34 1HD1 ILE 34 -6.375 6.159 8.430 269 HD13 ILE 34 2HD1 ILE 34 -7.909 6.933 8.035 270 H LEU 35 H LEU 35 -10.487 3.186 11.035 271 HA LEU 35 HA LEU 35 -8.843 1.937 13.052 272 HB2 LEU 35 2HB LEU 35 -11.848 2.335 13.026 273 HB3 LEU 35 3HB LEU 35 -10.837 2.093 14.452 274 HG LEU 35 HG LEU 35 -10.623 4.425 12.530 275 HD11 LEU 35 1HD1 LEU 35 -11.589 5.765 14.324 276 HD12 LEU 35 2HD1 LEU 35 -11.668 4.353 15.375 277 HD13 LEU 35 3HD1 LEU 35 -12.687 4.440 13.939 278 HD21 LEU 35 3HD2 LEU 35 -8.474 4.180 13.443 279 HD22 LEU 35 1HD2 LEU 35 -9.089 3.594 14.989 280 HD23 LEU 35 2HD2 LEU 35 -9.232 5.299 14.568 281 H ARG 36 H ARG 36 -10.783 0.684 10.540 282 HA ARG 36 HA ARG 36 -11.703 -1.754 11.733 283 HB2 ARG 36 2HB ARG 36 -11.032 -1.031 8.871 284 HB3 ARG 36 3HB ARG 36 -11.749 -2.575 9.336 285 HG2 ARG 36 2HG ARG 36 -13.670 -1.397 10.329 286 HG3 ARG 36 3HG ARG 36 -12.948 0.155 9.900 287 HD2 ARG 36 2HD ARG 36 -13.016 -0.482 7.511 288 HD3 ARG 36 3HD ARG 36 -13.766 -2.015 7.945 289 HE ARG 36 HE ARG 36 -15.083 0.607 7.909 290 HH11 ARG 36 1HH2 ARG 36 -15.067 -2.643 9.080 291 HH12 ARG 36 2HH2 ARG 36 -16.780 -2.697 9.328 292 HH21 ARG 36 1HH1 ARG 36 -17.309 0.543 8.220 293 HH22 ARG 36 2HH1 ARG 36 -18.049 -0.895 8.840 294 H TRP 37 H TRP 37 -8.629 -0.859 10.193 295 HA TRP 37 HA TRP 37 -7.462 -3.385 11.272 296 HB2 TRP 37 2HB TRP 37 -6.328 -3.867 9.175 297 HB3 TRP 37 3HB TRP 37 -8.060 -3.758 8.879 298 HD1 TRP 37 HD1 TRP 37 -8.958 -1.428 7.782 299 HE1 TRP 37 HE1 TRP 37 -7.785 0.182 6.145 300 HE3 TRP 37 HE3 TRP 37 -4.106 -2.886 8.435 301 HZ2 TRP 37 HZ2 TRP 37 -5.139 0.770 5.230 302 HZ3 TRP 37 HZ3 TRP 37 -2.282 -1.787 7.165 303 HH2 TRP 37 HH2 TRP 37 -2.792 0.037 5.564 304 H MET 38 H MET 38 -7.188 -0.852 12.405 305 HA MET 38 HA MET 38 -4.324 -0.624 12.489 306 HB2 MET 38 2HB MET 38 -4.832 0.544 10.297 307 HB3 MET 38 3HB MET 38 -5.711 1.754 11.230 308 HG2 MET 38 2HG MET 38 -3.472 2.594 10.920 309 HG3 MET 38 3HG MET 38 -3.608 2.086 12.604 310 HE1 MET 38 3HE MET 38 -1.204 1.694 9.465 311 HE2 MET 38 1HE MET 38 -2.873 1.218 9.123 312 HE3 MET 38 2HE MET 38 -1.588 0.012 9.104 313 H GLY 39 H GLY 39 -4.265 -0.441 14.649 314 HA2 GLY 39 2HA GLY 39 -4.659 0.335 16.816 315 HA3 GLY 39 3HA GLY 39 -4.791 1.917 16.055 316 H THR 40 H THR 40 -6.300 1.678 18.184 317 HA THR 40 HA THR 40 -9.044 0.871 17.327 318 HB THR 40 HB THR 40 -8.085 1.674 20.087 319 HG1 THR 40 HG1 THR 40 -8.557 -0.951 19.171 320 HG21 THR 40 3HG2 THR 40 -10.567 0.308 19.023 321 HG22 THR 40 1HG2 THR 40 -10.472 1.867 19.845 322 HG23 THR 40 2HG2 THR 40 -10.150 0.379 20.736 323 H GLU 41 H GLU 41 -7.000 3.575 17.810 324 HA GLU 41 HA GLU 41 -9.329 5.407 17.434 325 HB2 GLU 41 2HB GLU 41 -7.105 5.728 19.468 326 HB3 GLU 41 3HB GLU 41 -8.185 7.037 18.988 327 HG2 GLU 41 2HG GLU 41 -10.128 5.756 19.733 328 HG3 GLU 41 3HG GLU 41 -9.098 4.382 20.133 329 H ALA 42 H ALA 42 -8.940 7.016 15.973 330 HA ALA 42 HA ALA 42 -6.312 7.998 15.312 331 HB1 ALA 42 3HB ALA 42 -5.953 7.012 13.173 332 HB2 ALA 42 1HB ALA 42 -7.572 6.315 13.136 333 HB3 ALA 42 2HB ALA 42 -6.354 5.662 14.234 334 H GLU 43 H GLU 43 -6.467 9.805 13.888 335 HA GLU 43 HA GLU 43 -9.068 10.390 12.634 336 HB2 GLU 43 2HB GLU 43 -9.253 11.227 14.995 337 HB3 GLU 43 3HB GLU 43 -7.881 12.288 14.679 338 HG2 GLU 43 2HG GLU 43 -9.886 13.585 14.334 339 HG3 GLU 43 3HG GLU 43 -9.197 13.261 12.744 340 H VAL 44 H VAL 44 -8.203 10.624 10.630 341 HA VAL 44 HA VAL 44 -5.677 11.965 10.120 342 HB VAL 44 HB VAL 44 -7.925 11.154 8.254 343 HG11 VAL 44 1HG1 VAL 44 -5.105 12.128 7.780 344 HG12 VAL 44 2HG1 VAL 44 -6.606 12.744 7.086 345 HG13 VAL 44 3HG1 VAL 44 -5.977 11.179 6.574 346 HG21 VAL 44 3HG2 VAL 44 -5.319 9.756 8.932 347 HG22 VAL 44 1HG2 VAL 44 -6.542 9.182 7.800 348 HG23 VAL 44 2HG2 VAL 44 -6.909 9.274 9.523 349 H GLU 45 H GLU 45 -8.733 12.741 8.521 350 HA GLU 45 HA GLU 45 -9.703 14.777 7.961 351 HB2 GLU 45 2HB GLU 45 -8.725 15.212 10.775 352 HB3 GLU 45 3HB GLU 45 -9.350 16.596 9.882 353 HG2 GLU 45 2HG GLU 45 -11.461 15.449 9.489 354 HG3 GLU 45 3HG GLU 45 -10.838 13.980 10.238 355 HA PRO 46 HA PRO 46 -7.014 17.364 5.599 356 HB2 PRO 46 2HB PRO 46 -8.121 19.577 7.323 357 HB3 PRO 46 3HB PRO 46 -7.846 19.559 5.567 358 HG2 PRO 46 2HG PRO 46 -10.282 19.135 6.622 359 HG3 PRO 46 3HG PRO 46 -9.739 18.320 5.143 360 HD2 PRO 46 2HD PRO 46 -10.224 17.152 7.807 361 HD3 PRO 46 3HD PRO 46 -10.024 16.330 6.246 362 H GLU 47 H GLU 47 -4.891 18.054 5.803 363 HA GLU 47 HA GLU 47 -3.254 17.499 7.919 364 HB2 GLU 47 2HB GLU 47 -3.126 19.423 5.671 365 HB3 GLU 47 3HB GLU 47 -2.039 19.812 7.006 366 HG2 GLU 47 2HG GLU 47 -0.875 17.770 6.804 367 HG3 GLU 47 3HG GLU 47 -2.168 17.022 5.866 368 HA PRO 48 HA PRO 48 -3.685 21.799 10.060 369 HB2 PRO 48 2HB PRO 48 -5.695 23.465 9.169 370 HB3 PRO 48 3HB PRO 48 -4.034 23.520 8.546 371 HG2 PRO 48 2HG PRO 48 -6.433 22.146 7.395 372 HG3 PRO 48 3HG PRO 48 -5.218 23.150 6.579 373 HD2 PRO 48 2HD PRO 48 -5.096 20.472 6.443 374 HD3 PRO 48 3HD PRO 48 -3.617 21.450 6.586 375 H GLY 49 H GLY 49 -6.451 20.006 8.943 376 HA2 GLY 49 2HA GLY 49 -8.079 20.668 11.320 377 HA3 GLY 49 3HA GLY 49 -8.566 19.624 9.986 378 H GLY 50 H GLY 50 -5.494 19.295 11.661 379 HA2 GLY 50 2HA GLY 50 -5.998 16.487 12.182 380 HA3 GLY 50 3HA GLY 50 -4.588 17.397 12.722 381 H LEU 51 H LEU 51 -7.915 16.568 13.503 382 HA LEU 51 HA LEU 51 -7.858 17.922 16.089 383 HB2 LEU 51 2HB LEU 51 -9.791 15.854 15.009 384 HB3 LEU 51 3HB LEU 51 -10.051 16.871 16.427 385 HG LEU 51 HG LEU 51 -9.631 17.898 13.602 386 HD11 LEU 51 1HD1 LEU 51 -11.980 18.365 13.545 387 HD12 LEU 51 2HD1 LEU 51 -12.171 17.958 15.250 388 HD13 LEU 51 3HD1 LEU 51 -11.825 16.690 14.074 389 HD21 LEU 51 3HD2 LEU 51 -10.606 20.020 14.829 390 HD22 LEU 51 1HD2 LEU 51 -8.894 19.639 14.989 391 HD23 LEU 51 2HD2 LEU 51 -10.016 19.220 16.284 392 H TYR 52 H TYR 52 -7.763 16.929 18.114 393 HA TYR 52 HA TYR 52 -6.866 15.448 19.683 394 HB2 TYR 52 2HB TYR 52 -7.889 13.334 17.772 395 HB3 TYR 52 3HB TYR 52 -7.604 13.157 19.504 396 HD1 TYR 52 HD1 TYR 52 -9.028 14.391 21.143 397 HD2 TYR 52 HD2 TYR 52 -9.878 14.380 16.933 398 HE1 TYR 52 HE1 TYR 52 -11.331 15.184 21.607 399 HE2 TYR 52 HE2 TYR 52 -12.180 15.174 17.395 400 HH TYR 52 HH TYR 52 -13.154 16.250 20.553 401 H LEU 53 H LEU 53 -5.720 12.907 19.385 402 HA LEU 53 HA LEU 53 -3.282 13.536 17.761 403 HB2 LEU 53 2HB LEU 53 -3.057 13.419 20.310 404 HB3 LEU 53 3HB LEU 53 -3.416 11.700 20.160 405 HG LEU 53 HG LEU 53 -1.510 11.503 18.532 406 HD11 LEU 53 1HD1 LEU 53 0.194 13.538 18.950 407 HD12 LEU 53 2HD1 LEU 53 -1.309 14.431 19.166 408 HD13 LEU 53 3HD1 LEU 53 -0.995 13.585 17.651 409 HD21 LEU 53 3HD2 LEU 53 -1.192 10.855 20.861 410 HD22 LEU 53 1HD2 LEU 53 -0.889 12.531 21.320 411 HD23 LEU 53 2HD2 LEU 53 0.261 11.677 20.294 412 H VAL 54 H VAL 54 -2.413 11.859 16.482 413 HA VAL 54 HA VAL 54 -4.243 9.516 16.078 414 HB VAL 54 HB VAL 54 -2.235 10.730 14.161 415 HG11 VAL 54 1HG1 VAL 54 -3.469 9.326 12.512 416 HG12 VAL 54 2HG1 VAL 54 -4.413 8.646 13.837 417 HG13 VAL 54 3HG1 VAL 54 -2.676 8.356 13.754 418 HG21 VAL 54 3HG2 VAL 54 -4.032 12.314 14.529 419 HG22 VAL 54 1HG2 VAL 54 -5.243 11.037 14.417 420 HG23 VAL 54 2HG2 VAL 54 -4.331 11.517 12.985 421 H ASN 55 H ASN 55 -3.481 7.627 16.758 422 HA ASN 55 HA ASN 55 -0.546 7.258 17.160 423 HB2 ASN 55 2HB ASN 55 -2.056 6.951 19.127 424 HB3 ASN 55 3HB ASN 55 -2.869 5.649 18.262 425 HD21 ASN 55 1HD2 ASN 55 -1.490 5.185 20.740 426 HD22 ASN 55 2HD2 ASN 55 -0.143 4.201 20.421 427 H VAL 56 H VAL 56 0.210 6.473 15.219 428 HA VAL 56 HA VAL 56 -1.304 4.300 13.851 429 HB VAL 56 HB VAL 56 1.217 5.645 12.861 430 HG11 VAL 56 1HG1 VAL 56 0.188 3.532 11.802 431 HG12 VAL 56 2HG1 VAL 56 0.502 4.894 10.724 432 HG13 VAL 56 3HG1 VAL 56 -1.138 4.579 11.294 433 HG21 VAL 56 3HG2 VAL 56 -0.381 7.433 13.413 434 HG22 VAL 56 1HG2 VAL 56 -1.653 6.586 12.532 435 HG23 VAL 56 2HG2 VAL 56 -0.267 7.246 11.664 436 H THR 57 H THR 57 -0.225 3.482 16.244 437 HA THR 57 HA THR 57 1.337 2.036 17.248 438 HB THR 57 HB THR 57 1.834 0.033 15.850 439 HG1 THR 57 HG1 THR 57 2.098 0.964 13.858 440 HG21 THR 57 3HG2 THR 57 -0.993 1.115 15.701 441 HG22 THR 57 1HG2 THR 57 -0.304 0.163 17.017 442 HG23 THR 57 2HG2 THR 57 -0.552 -0.572 15.433 443 H GLY 58 H GLY 58 2.353 4.382 15.441 444 HA2 GLY 58 2HA GLY 58 5.068 3.431 14.767 445 HA3 GLY 58 3HA GLY 58 4.423 5.045 14.465 446 H ALA 59 H ALA 59 3.445 4.574 17.476 447 HA ALA 59 HA ALA 59 4.231 5.180 19.604 448 HB1 ALA 59 3HB ALA 59 7.089 5.051 18.654 449 HB2 ALA 59 1HB ALA 59 6.162 3.558 18.815 450 HB3 ALA 59 2HB ALA 59 6.412 4.598 20.215 451 H ARG 60 H ARG 60 5.111 6.784 16.725 452 HA ARG 60 HA ARG 60 6.428 9.074 17.890 453 HB2 ARG 60 2HB ARG 60 6.674 8.422 15.514 454 HB3 ARG 60 3HB ARG 60 4.981 8.825 15.240 455 HG2 ARG 60 2HG ARG 60 5.387 11.148 15.845 456 HG3 ARG 60 3HG ARG 60 7.056 10.776 16.275 457 HD2 ARG 60 2HD ARG 60 7.533 10.141 13.952 458 HD3 ARG 60 3HD ARG 60 5.856 10.454 13.509 459 HE ARG 60 HE ARG 60 6.300 12.783 13.600 460 HH11 ARG 60 1HH2 ARG 60 8.898 10.883 14.861 461 HH12 ARG 60 2HH2 ARG 60 10.000 12.217 14.943 462 HH21 ARG 60 1HH1 ARG 60 7.727 14.518 13.701 463 HH22 ARG 60 2HH1 ARG 60 9.339 14.273 14.288 464 H PHE 61 H PHE 61 5.568 11.174 18.215 465 HA PHE 61 HA PHE 61 2.987 11.295 19.429 466 HB2 PHE 61 2HB PHE 61 4.813 13.481 18.391 467 HB3 PHE 61 3HB PHE 61 3.361 13.787 19.343 468 HD1 PHE 61 HD1 PHE 61 3.218 13.041 21.698 469 HD2 PHE 61 HD2 PHE 61 6.816 12.555 19.402 470 HE1 PHE 61 HE1 PHE 61 4.492 12.628 23.784 471 HE2 PHE 61 HE2 PHE 61 8.090 12.142 21.489 472 HZ PHE 61 HZ PHE 61 6.929 12.177 23.680 473 H ALA 62 H ALA 62 4.122 12.409 16.218 474 HA ALA 62 HA ALA 62 1.399 12.054 15.160 475 HB1 ALA 62 3HB ALA 62 2.677 14.794 15.003 476 HB2 ALA 62 1HB ALA 62 1.436 14.369 16.183 477 HB3 ALA 62 2HB ALA 62 1.066 14.331 14.459 478 H ARG 63 H ARG 63 1.364 12.602 12.759 479 HA ARG 63 HA ARG 63 4.064 12.304 11.500 480 HB2 ARG 63 2HB ARG 63 1.581 10.660 10.993 481 HB3 ARG 63 3HB ARG 63 2.903 10.755 9.830 482 HG2 ARG 63 2HG ARG 63 4.475 9.944 11.554 483 HG3 ARG 63 3HG ARG 63 3.149 9.843 12.713 484 HD2 ARG 63 2HD ARG 63 2.012 8.186 11.309 485 HD3 ARG 63 3HD ARG 63 3.280 8.321 10.091 486 HE ARG 63 HE ARG 63 4.349 7.606 12.692 487 HH11 ARG 63 1HH2 ARG 63 2.769 6.451 9.844 488 HH12 ARG 63 2HH2 ARG 63 3.380 4.840 10.005 489 HH21 ARG 63 1HH1 ARG 63 5.156 5.511 12.900 490 HH22 ARG 63 2HH1 ARG 63 4.725 4.307 11.733 491 H GLY 64 H GLY 64 4.200 13.084 9.357 492 HA2 GLY 64 2HA GLY 64 2.196 14.130 7.727 493 HA3 GLY 64 3HA GLY 64 2.633 15.447 8.817 494 H SER 65 H SER 65 4.044 13.107 6.543 495 HA SER 65 HA SER 65 6.148 15.128 5.861 496 HB2 SER 65 2HB SER 65 7.818 13.403 5.749 497 HB3 SER 65 3HB SER 65 6.996 13.191 7.293 498 HG SER 65 HG SER 65 6.334 11.319 6.628 499 H PHE 66 H PHE 66 3.541 14.472 4.631 500 HA PHE 66 HA PHE 66 3.810 12.823 2.340 501 HB2 PHE 66 2HB PHE 66 1.881 14.069 1.444 502 HB3 PHE 66 3HB PHE 66 1.641 13.695 3.150 503 HD1 PHE 66 HD1 PHE 66 1.936 15.455 4.881 504 HD2 PHE 66 HD2 PHE 66 2.155 16.345 0.684 505 HE1 PHE 66 HE1 PHE 66 1.655 17.869 5.378 506 HE2 PHE 66 HE2 PHE 66 1.876 18.759 1.183 507 HZ PHE 66 HZ PHE 66 1.627 19.521 3.528 508 H ARG 67 H ARG 67 4.704 13.125 0.371 509 HA ARG 67 HA ARG 67 6.145 15.699 -0.143 510 HB2 ARG 67 2HB ARG 67 6.563 12.873 -1.163 511 HB3 ARG 67 3HB ARG 67 7.442 14.269 -1.785 512 HG2 ARG 67 2HG ARG 67 8.333 14.729 0.457 513 HG3 ARG 67 3HG ARG 67 7.414 13.374 1.113 514 HD2 ARG 67 2HD ARG 67 9.717 12.663 0.723 515 HD3 ARG 67 3HD ARG 67 8.653 11.840 -0.417 516 HE ARG 67 HE ARG 67 9.618 14.254 -1.609 517 HH11 ARG 67 1HH2 ARG 67 10.637 11.111 -0.599 518 HH12 ARG 67 2HH2 ARG 67 11.896 11.000 -1.783 519 HH21 ARG 67 1HH1 ARG 67 11.258 14.119 -3.145 520 HH22 ARG 67 2HH1 ARG 67 12.249 12.700 -3.219 521 H GLU 68 H GLU 68 3.820 13.375 -1.381 522 HA GLU 68 HA GLU 68 2.795 15.384 -3.253 523 HB2 GLU 68 2HB GLU 68 4.671 14.282 -4.534 524 HB3 GLU 68 3HB GLU 68 3.816 12.750 -4.364 525 HG2 GLU 68 2HG GLU 68 3.212 13.647 -6.511 526 HG3 GLU 68 3HG GLU 68 1.813 13.856 -5.461 527 H VAL 69 H VAL 69 0.623 14.982 -3.688 528 HA VAL 69 HA VAL 69 -0.490 12.357 -2.769 529 HB VAL 69 HB VAL 69 -1.619 15.113 -2.193 530 HG11 VAL 69 1HG1 VAL 69 -3.473 13.664 -2.562 531 HG12 VAL 69 2HG1 VAL 69 -3.248 13.673 -0.813 532 HG13 VAL 69 3HG1 VAL 69 -2.669 12.307 -1.769 533 HG21 VAL 69 3HG2 VAL 69 -1.286 14.303 0.194 534 HG22 VAL 69 1HG2 VAL 69 0.205 14.619 -0.693 535 HG23 VAL 69 2HG2 VAL 69 -0.354 12.962 -0.471 536 H VAL 70 H VAL 70 -1.776 11.447 -4.236 537 HA VAL 70 HA VAL 70 -3.211 13.137 -6.209 538 HB VAL 70 HB VAL 70 -1.789 10.669 -7.187 539 HG11 VAL 70 1HG1 VAL 70 -2.100 11.676 -9.321 540 HG12 VAL 70 2HG1 VAL 70 -2.367 13.272 -8.619 541 HG13 VAL 70 3HG1 VAL 70 -3.600 12.024 -8.459 542 HG21 VAL 70 3HG2 VAL 70 0.059 12.234 -7.928 543 HG22 VAL 70 1HG2 VAL 70 0.004 11.937 -6.190 544 HG23 VAL 70 2HG2 VAL 70 -0.628 13.447 -6.848 545 HA PRO 71 HA PRO 71 -6.027 10.071 -4.214 546 HB2 PRO 71 2HB PRO 71 -7.950 11.675 -5.862 547 HB3 PRO 71 3HB PRO 71 -8.069 11.167 -4.165 548 HG2 PRO 71 2HG PRO 71 -7.453 13.674 -4.806 549 HG3 PRO 71 3HG PRO 71 -6.693 12.865 -3.422 550 HD2 PRO 71 2HD PRO 71 -5.531 13.476 -6.114 551 HD3 PRO 71 3HD PRO 71 -4.740 13.430 -4.520 552 H VAL 72 H VAL 72 -7.247 8.331 -4.982 553 HA VAL 72 HA VAL 72 -7.298 6.456 -6.422 554 HB VAL 72 HB VAL 72 -8.966 6.854 -8.227 555 HG11 VAL 72 1HG1 VAL 72 -9.501 6.620 -5.704 556 HG12 VAL 72 2HG1 VAL 72 -10.766 7.261 -6.750 557 HG13 VAL 72 3HG1 VAL 72 -9.814 8.355 -5.747 558 HG21 VAL 72 3HG2 VAL 72 -8.137 9.153 -8.821 559 HG22 VAL 72 1HG2 VAL 72 -8.849 9.746 -7.319 560 HG23 VAL 72 2HG2 VAL 72 -9.882 9.071 -8.577 561 H HIS 73 H HIS 73 -4.830 7.792 -6.830 562 HA HIS 73 HA HIS 73 -4.291 6.920 -9.594 563 HB2 HIS 73 2HB HIS 73 -4.854 9.364 -9.774 564 HB3 HIS 73 3HB HIS 73 -3.508 9.703 -8.685 565 HD1 HIS 73 HD1 HIS 73 -1.213 9.846 -9.716 566 HD2 HIS 73 HD2 HIS 73 -3.969 8.044 -12.274 567 HE1 HIS 73 HE1 HIS 73 -0.025 9.509 -11.929 568 H ARG 74 H ARG 74 -2.434 9.019 -7.395 569 HA ARG 74 HA ARG 74 -0.641 6.741 -6.737 570 HB2 ARG 74 2HB ARG 74 0.236 9.297 -8.099 571 HB3 ARG 74 3HB ARG 74 1.354 8.205 -7.281 572 HG2 ARG 74 2HG ARG 74 0.632 6.361 -8.749 573 HG3 ARG 74 3HG ARG 74 -0.486 7.451 -9.568 574 HD2 ARG 74 2HD ARG 74 1.538 7.280 -10.895 575 HD3 ARG 74 3HD ARG 74 1.457 8.895 -10.195 576 HE ARG 74 HE ARG 74 2.936 7.179 -8.447 577 HH11 ARG 74 1HH2 ARG 74 3.095 8.768 -11.511 578 HH12 ARG 74 2HH2 ARG 74 4.821 8.913 -11.488 579 HH21 ARG 74 1HH1 ARG 74 5.180 7.360 -8.413 580 HH22 ARG 74 2HH1 ARG 74 6.000 8.117 -9.738 581 H LEU 75 H LEU 75 0.886 7.288 -5.006 582 HA LEU 75 HA LEU 75 0.294 9.732 -3.457 583 HB2 LEU 75 2HB LEU 75 -1.387 8.169 -2.598 584 HB3 LEU 75 3HB LEU 75 -0.148 6.942 -2.343 585 HG LEU 75 HG LEU 75 0.958 8.356 -0.672 586 HD11 LEU 75 1HD1 LEU 75 0.645 10.581 -1.314 587 HD12 LEU 75 2HD1 LEU 75 -0.475 10.454 0.038 588 HD13 LEU 75 3HD1 LEU 75 -1.080 10.364 -1.617 589 HD21 LEU 75 3HD2 LEU 75 -0.982 8.505 0.987 590 HD22 LEU 75 1HD2 LEU 75 -0.708 6.925 0.253 591 HD23 LEU 75 2HD2 LEU 75 -2.019 7.952 -0.328 592 H ALA 76 H ALA 76 2.124 10.426 -2.425 593 HA ALA 76 HA ALA 76 4.414 8.504 -2.159 594 HB1 ALA 76 3HB ALA 76 4.792 11.440 -2.709 595 HB2 ALA 76 1HB ALA 76 4.532 10.307 -4.035 596 HB3 ALA 76 2HB ALA 76 5.923 10.113 -2.969 597 H TYR 77 H TYR 77 4.954 8.272 -0.076 598 HA TYR 77 HA TYR 77 4.895 10.645 1.716 599 HB2 TYR 77 2HB TYR 77 2.756 9.205 1.935 600 HB3 TYR 77 3HB TYR 77 3.806 7.976 2.641 601 HD1 TYR 77 HD2 TYR 77 4.982 8.397 4.781 602 HD2 TYR 77 HD1 TYR 77 2.275 11.269 3.088 603 HE1 TYR 77 HE2 TYR 77 4.907 9.605 6.947 604 HE2 TYR 77 HE1 TYR 77 2.207 12.483 5.248 605 HH TYR 77 HH TYR 77 3.103 11.214 8.090 606 H SER 78 H SER 78 6.212 10.284 3.659 607 HA SER 78 HA SER 78 8.413 8.306 3.177 608 HB2 SER 78 2HB SER 78 8.411 10.922 4.700 609 HB3 SER 78 3HB SER 78 9.794 9.841 4.549 610 HG SER 78 HG SER 78 8.385 10.875 2.320 611 H PHE 79 H PHE 79 8.605 6.696 4.637 612 HA PHE 79 HA PHE 79 7.414 7.061 7.362 613 HB2 PHE 79 2HB PHE 79 7.170 4.715 5.474 614 HB3 PHE 79 3HB PHE 79 6.880 4.560 7.205 615 HD1 PHE 79 HD1 PHE 79 5.335 6.510 8.212 616 HD2 PHE 79 HD2 PHE 79 5.314 5.188 4.123 617 HE1 PHE 79 HE1 PHE 79 3.054 7.425 7.930 618 HE2 PHE 79 HE2 PHE 79 3.023 6.100 3.844 619 HZ PHE 79 HZ PHE 79 1.895 7.220 5.750 620 H GLY 80 H GLY 80 8.444 5.934 9.031 621 HA2 GLY 80 2HA GLY 80 10.287 4.085 9.339 622 HA3 GLY 80 3HA GLY 80 11.286 5.252 8.470 623 H TRP 81 H TRP 81 8.844 5.556 11.075 624 HA TRP 81 HA TRP 81 10.848 7.166 12.626 625 HB2 TRP 81 2HB TRP 81 7.835 7.297 12.874 626 HB3 TRP 81 3HB TRP 81 9.024 8.394 13.578 627 HD1 TRP 81 HD1 TRP 81 7.480 7.406 10.215 628 HE1 TRP 81 HE1 TRP 81 7.913 9.297 8.516 629 HE3 TRP 81 HE3 TRP 81 10.530 10.413 12.999 630 HZ2 TRP 81 HZ2 TRP 81 9.362 11.759 8.359 631 HZ3 TRP 81 HZ3 TRP 81 11.417 12.524 12.052 632 HH2 TRP 81 HH2 TRP 81 10.840 13.199 9.737 633 H ASP 82 H ASP 82 11.443 6.397 14.557 634 HA ASP 82 HA ASP 82 11.680 4.863 16.310 635 HB2 ASP 82 2HB ASP 82 8.699 5.390 16.298 636 HB3 ASP 82 3HB ASP 82 9.500 4.450 17.557 637 H GLY 83 H GLY 83 11.308 3.744 13.597 638 HA2 GLY 83 2HA GLY 83 9.664 1.367 13.836 639 HA3 GLY 83 3HA GLY 83 10.834 1.691 12.559 640 H SER 84 H SER 84 12.222 0.035 12.498 641 HA SER 84 HA SER 84 12.807 -1.736 14.645 642 HB2 SER 84 2HB SER 84 14.654 -1.190 12.319 643 HB3 SER 84 3HB SER 84 14.444 -2.694 13.207 644 HG SER 84 HG SER 84 13.294 -2.220 11.043 645 H GLU 85 H GLU 85 15.428 -2.049 14.978 646 HA GLU 85 HA GLU 85 16.267 -0.429 17.020 647 HB2 GLU 85 2HB GLU 85 18.040 -1.561 14.829 648 HB3 GLU 85 3HB GLU 85 18.605 -1.005 16.401 649 HG2 GLU 85 2HG GLU 85 18.368 -3.302 16.777 650 HG3 GLU 85 3HG GLU 85 16.820 -2.689 17.351 651 H VAL 86 H VAL 86 17.911 0.067 13.910 652 HA VAL 86 HA VAL 86 18.433 2.852 14.537 653 HB VAL 86 HB VAL 86 19.227 2.838 12.068 654 HG11 VAL 86 1HG1 VAL 86 20.365 1.019 14.197 655 HG12 VAL 86 2HG1 VAL 86 20.845 2.672 13.818 656 HG13 VAL 86 3HG1 VAL 86 21.205 1.367 12.686 657 HG21 VAL 86 3HG2 VAL 86 17.744 0.752 11.620 658 HG22 VAL 86 1HG2 VAL 86 19.020 -0.160 12.421 659 HG23 VAL 86 2HG2 VAL 86 19.374 0.750 10.952 660 H VAL 87 H VAL 87 17.608 2.564 11.288 661 HA VAL 87 HA VAL 87 15.930 3.498 9.977 662 HB VAL 87 HB VAL 87 14.051 3.152 12.317 663 HG11 VAL 87 1HG1 VAL 87 13.732 2.878 9.310 664 HG12 VAL 87 2HG1 VAL 87 13.217 4.270 10.263 665 HG13 VAL 87 3HG1 VAL 87 12.444 2.703 10.502 666 HG21 VAL 87 3HG2 VAL 87 15.226 1.086 10.440 667 HG22 VAL 87 1HG2 VAL 87 13.723 0.820 11.320 668 HG23 VAL 87 2HG2 VAL 87 15.230 1.061 12.202 669 HA PRO 88 HA PRO 88 16.513 7.465 12.422 670 HB2 PRO 88 2HB PRO 88 17.934 8.757 10.393 671 HB3 PRO 88 3HB PRO 88 18.668 7.900 11.760 672 HG2 PRO 88 2HG PRO 88 18.343 7.045 8.942 673 HG3 PRO 88 3HG PRO 88 19.601 6.622 10.115 674 HD2 PRO 88 2HD PRO 88 17.528 4.941 9.375 675 HD3 PRO 88 3HD PRO 88 18.422 4.800 10.902 676 HA PRO 89 HA PRO 89 13.188 9.654 10.544 677 HB2 PRO 89 2HB PRO 89 14.086 12.286 10.565 678 HB3 PRO 89 3HB PRO 89 13.476 11.430 11.997 679 HG2 PRO 89 2HG PRO 89 16.308 11.786 11.089 680 HG3 PRO 89 3HG PRO 89 15.613 12.034 12.706 681 HD2 PRO 89 2HD PRO 89 16.916 9.779 12.196 682 HD3 PRO 89 3HD PRO 89 15.379 9.704 13.090 683 H GLY 90 H GLY 90 12.497 10.138 8.498 684 HA2 GLY 90 2HA GLY 90 12.566 10.597 6.208 685 HA3 GLY 90 3HA GLY 90 14.045 11.502 6.516 686 H SER 91 H SER 91 15.329 10.760 4.887 687 HA SER 91 HA SER 91 16.525 9.256 3.546 688 HB2 SER 91 2HB SER 91 18.026 7.975 4.776 689 HB3 SER 91 3HB SER 91 17.477 9.105 6.010 690 HG SER 91 HG SER 91 16.001 7.533 6.701 691 H SER 92 H SER 92 13.574 8.768 3.962 692 HA SER 92 HA SER 92 13.567 6.032 2.806 693 HB2 SER 92 2HB SER 92 13.109 5.734 5.219 694 HB3 SER 92 3HB SER 92 11.780 6.884 5.103 695 HG SER 92 HG SER 92 10.594 5.329 4.357 696 H LEU 93 H LEU 93 11.905 5.727 1.326 697 HA LEU 93 HA LEU 93 9.892 7.892 1.017 698 HB2 LEU 93 2HB LEU 93 11.682 8.541 -0.503 699 HB3 LEU 93 3HB LEU 93 11.746 6.914 -1.176 700 HG LEU 93 HG LEU 93 9.478 7.153 -2.071 701 HD11 LEU 93 1HD1 LEU 93 8.525 9.605 -1.896 702 HD12 LEU 93 2HD1 LEU 93 9.542 9.693 -0.458 703 HD13 LEU 93 3HD1 LEU 93 8.274 8.475 -0.566 704 HD21 LEU 93 3HD2 LEU 93 11.386 9.422 -2.664 705 HD22 LEU 93 1HD2 LEU 93 9.905 9.166 -3.589 706 HD23 LEU 93 2HD2 LEU 93 11.159 7.928 -3.570 707 H VAL 94 H VAL 94 7.953 7.000 0.795 708 HA VAL 94 HA VAL 94 7.731 4.222 -0.320 709 HB VAL 94 HB VAL 94 6.158 5.606 1.867 710 HG11 VAL 94 1HG1 VAL 94 5.541 3.128 0.245 711 HG12 VAL 94 2HG1 VAL 94 4.482 4.493 0.598 712 HG13 VAL 94 3HG1 VAL 94 4.900 3.348 1.873 713 HG21 VAL 94 3HG2 VAL 94 6.910 3.689 3.196 714 HG22 VAL 94 1HG2 VAL 94 8.304 4.486 2.466 715 HG23 VAL 94 2HG2 VAL 94 7.687 2.987 1.776 716 H GLU 95 H GLU 95 6.416 4.023 -2.069 717 HA GLU 95 HA GLU 95 4.517 6.246 -2.690 718 HB2 GLU 95 2HB GLU 95 6.516 4.957 -4.558 719 HB3 GLU 95 3HB GLU 95 5.180 5.976 -5.102 720 HG2 GLU 95 2HG GLU 95 6.018 7.832 -3.724 721 HG3 GLU 95 3HG GLU 95 7.340 6.818 -3.146 722 H ILE 96 H ILE 96 2.624 5.617 -3.679 723 HA ILE 96 HA ILE 96 2.207 2.674 -4.078 724 HB ILE 96 HB ILE 96 0.330 4.711 -2.856 725 HG12 ILE 96 2HG1 ILE 96 1.453 2.139 -1.712 726 HG13 ILE 96 3HG1 ILE 96 2.179 3.720 -1.431 727 HG21 ILE 96 1HG2 ILE 96 -1.063 3.309 -4.157 728 HG22 ILE 96 2HG2 ILE 96 -1.102 2.575 -2.555 729 HG23 ILE 96 3HG2 ILE 96 -0.087 1.883 -3.820 730 HD11 ILE 96 3HD1 ILE 96 -0.641 2.888 -0.692 731 HD12 ILE 96 1HD1 ILE 96 0.013 4.513 -0.487 732 HD13 ILE 96 2HD1 ILE 96 0.693 3.168 0.428 733 H ASP 97 H ASP 97 1.323 2.128 -6.000 734 HA ASP 97 HA ASP 97 0.148 4.296 -7.709 735 HB2 ASP 97 2HB ASP 97 2.463 3.568 -8.397 736 HB3 ASP 97 3HB ASP 97 1.808 1.955 -8.680 737 H LEU 98 H LEU 98 -1.922 3.861 -8.152 738 HA LEU 98 HA LEU 98 -2.936 1.073 -7.907 739 HB2 LEU 98 2HB LEU 98 -4.452 3.676 -8.261 740 HB3 LEU 98 3HB LEU 98 -5.147 2.109 -7.846 741 HG LEU 98 HG LEU 98 -3.148 3.651 -6.164 742 HD11 LEU 98 1HD1 LEU 98 -6.053 3.045 -5.559 743 HD12 LEU 98 2HD1 LEU 98 -5.527 4.554 -6.304 744 HD13 LEU 98 3HD1 LEU 98 -4.973 4.132 -4.685 745 HD21 LEU 98 3HD2 LEU 98 -3.981 1.830 -4.465 746 HD22 LEU 98 1HD2 LEU 98 -2.752 1.394 -5.646 747 HD23 LEU 98 2HD2 LEU 98 -4.434 0.932 -5.912 748 H ILE 99 H ILE 99 -3.365 -0.093 -9.687 749 HA ILE 99 HA ILE 99 -3.583 1.334 -12.323 750 HB ILE 99 HB ILE 99 -2.734 -1.539 -11.933 751 HG12 ILE 99 2HG1 ILE 99 -0.381 -0.290 -12.493 752 HG13 ILE 99 3HG1 ILE 99 -1.160 0.994 -11.574 753 HG21 ILE 99 1HG2 ILE 99 -3.446 -1.012 -14.170 754 HG22 ILE 99 2HG2 ILE 99 -1.685 -1.098 -14.180 755 HG23 ILE 99 3HG2 ILE 99 -2.489 0.471 -14.188 756 HD11 ILE 99 3HD1 ILE 99 -0.051 -0.230 -9.911 757 HD12 ILE 99 1HD1 ILE 99 -0.403 -1.778 -10.679 758 HD13 ILE 99 2HD1 ILE 99 -1.680 -0.900 -9.843 759 H GLU 100 H GLU 100 -5.515 1.205 -13.242 760 HA GLU 100 HA GLU 100 -7.560 -0.600 -12.152 761 HB2 GLU 100 2HB GLU 100 -7.643 1.527 -14.314 762 HB3 GLU 100 3HB GLU 100 -9.052 0.629 -13.750 763 HG2 GLU 100 2HG GLU 100 -9.143 2.575 -12.435 764 HG3 GLU 100 3HG GLU 100 -8.317 1.445 -11.367 765 H GLN 101 H GLN 101 -7.393 -2.658 -12.853 766 HA GLN 101 HA GLN 101 -6.620 -3.232 -15.651 767 HB2 GLN 101 2HB GLN 101 -6.593 -5.587 -14.892 768 HB3 GLN 101 3HB GLN 101 -5.594 -4.563 -13.859 769 HG2 GLN 101 2HG GLN 101 -7.407 -4.422 -12.208 770 HG3 GLN 101 3HG GLN 101 -8.449 -5.400 -13.240 771 HE21 GLN 101 1HE2 GLN 101 -5.473 -6.697 -13.780 772 HE22 GLN 101 2HE2 GLN 101 -5.448 -7.889 -12.572 773 H GLY 102 H GLY 102 -8.007 -5.564 -16.093 774 HA2 GLY 102 2HA GLY 102 -10.535 -4.624 -17.070 775 HA3 GLY 102 3HA GLY 102 -10.011 -6.307 -17.034 776 H GLY 103 H GLY 103 -9.601 -6.431 -14.171 777 HA2 GLY 103 2HA GLY 103 -12.243 -5.814 -12.993 778 HA3 GLY 103 3HA GLY 103 -11.836 -7.521 -13.147 779 H GLY 104 H GLY 104 -11.724 -4.948 -11.077 780 HA2 GLY 104 2HA GLY 104 -10.947 -5.179 -8.801 781 HA3 GLY 104 3HA GLY 104 -9.725 -6.323 -9.350 782 H THR 105 H THR 105 -8.708 -4.484 -7.773 783 HA THR 105 HA THR 105 -7.383 -2.513 -9.602 784 HB THR 105 HB THR 105 -8.177 -2.067 -6.713 785 HG1 THR 105 HG1 THR 105 -9.723 -0.771 -7.547 786 HG21 THR 105 3HG2 THR 105 -6.753 -0.347 -8.759 787 HG22 THR 105 1HG2 THR 105 -6.110 -0.919 -7.220 788 HG23 THR 105 2HG2 THR 105 -7.409 0.274 -7.244 789 H LEU 106 H LEU 106 -5.243 -2.654 -9.609 790 HA LEU 106 HA LEU 106 -3.901 -4.517 -7.758 791 HB2 LEU 106 2HB LEU 106 -3.237 -3.162 -10.344 792 HB3 LEU 106 3HB LEU 106 -1.892 -3.662 -9.323 793 HG LEU 106 HG LEU 106 -2.568 -5.384 -10.996 794 HD11 LEU 106 1HD1 LEU 106 -3.300 -6.689 -8.432 795 HD12 LEU 106 2HD1 LEU 106 -1.805 -5.770 -8.392 796 HD13 LEU 106 3HD1 LEU 106 -2.004 -7.067 -9.560 797 HD21 LEU 106 3HD2 LEU 106 -5.036 -4.719 -10.814 798 HD22 LEU 106 1HD2 LEU 106 -5.086 -5.696 -9.345 799 HD23 LEU 106 2HD2 LEU 106 -4.696 -6.448 -10.888 800 H LEU 107 H LEU 107 -2.506 -3.912 -6.185 801 HA LEU 107 HA LEU 107 -2.034 -0.971 -5.829 802 HB2 LEU 107 2HB LEU 107 -3.613 -2.152 -4.176 803 HB3 LEU 107 3HB LEU 107 -2.184 -2.998 -3.588 804 HG LEU 107 HG LEU 107 -2.389 0.021 -3.785 805 HD11 LEU 107 1HD1 LEU 107 -2.614 -0.150 -1.252 806 HD12 LEU 107 2HD1 LEU 107 -3.017 -1.848 -1.504 807 HD13 LEU 107 3HD1 LEU 107 -4.036 -0.586 -2.197 808 HD21 LEU 107 3HD2 LEU 107 -0.334 -1.917 -2.743 809 HD22 LEU 107 1HD2 LEU 107 -0.511 -0.359 -1.939 810 HD23 LEU 107 2HD2 LEU 107 -0.109 -0.424 -3.648 811 H ARG 108 H ARG 108 0.028 -0.671 -6.429 812 HA ARG 108 HA ARG 108 2.087 -2.703 -5.707 813 HB2 ARG 108 2HB ARG 108 2.107 -0.358 -7.618 814 HB3 ARG 108 3HB ARG 108 3.530 -1.336 -7.260 815 HG2 ARG 108 2HG ARG 108 2.352 -3.354 -8.039 816 HG3 ARG 108 3HG ARG 108 0.915 -2.390 -8.377 817 HD2 ARG 108 2HD ARG 108 2.185 -1.058 -10.020 818 HD3 ARG 108 3HD ARG 108 3.630 -2.012 -9.680 819 HE ARG 108 HE ARG 108 1.364 -3.654 -10.484 820 HH11 ARG 108 1HH2 ARG 108 3.999 -1.680 -11.532 821 HH12 ARG 108 2HH2 ARG 108 4.138 -2.461 -13.071 822 HH21 ARG 108 1HH1 ARG 108 1.539 -4.674 -12.484 823 HH22 ARG 108 2HH1 ARG 108 2.749 -4.154 -13.609 824 H LEU 109 H LEU 109 3.635 -2.236 -4.212 825 HA LEU 109 HA LEU 109 3.750 0.563 -3.138 826 HB2 LEU 109 2HB LEU 109 2.612 -1.063 -1.610 827 HB3 LEU 109 3HB LEU 109 4.101 -2.000 -1.561 828 HG LEU 109 HG LEU 109 4.431 0.912 -0.966 829 HD11 LEU 109 1HD1 LEU 109 3.660 0.605 1.390 830 HD12 LEU 109 2HD1 LEU 109 2.945 -0.937 0.915 831 HD13 LEU 109 3HD1 LEU 109 2.349 0.568 0.211 832 HD21 LEU 109 3HD2 LEU 109 6.300 -0.690 -0.772 833 HD22 LEU 109 1HD2 LEU 109 5.379 -1.635 0.396 834 HD23 LEU 109 2HD2 LEU 109 5.910 -0.002 0.802 835 H THR 110 H THR 110 5.711 1.432 -3.315 836 HA THR 110 HA THR 110 8.080 -0.381 -3.644 837 HB THR 110 HB THR 110 7.592 2.402 -4.737 838 HG1 THR 110 HG1 THR 110 6.551 0.508 -5.719 839 HG21 THR 110 3HG2 THR 110 9.918 2.239 -4.273 840 HG22 THR 110 1HG2 THR 110 9.761 1.840 -5.983 841 HG23 THR 110 2HG2 THR 110 9.982 0.556 -4.796 842 H HIS 111 H HIS 111 9.557 -0.239 -2.062 843 HA HIS 111 HA HIS 111 9.641 2.247 -0.387 844 HB2 HIS 111 2HB HIS 111 8.668 0.187 0.763 845 HB3 HIS 111 3HB HIS 111 10.270 -0.538 0.610 846 HD1 HIS 111 HD1 HIS 111 9.690 -0.249 3.422 847 HD2 HIS 111 HD2 HIS 111 11.010 3.066 1.262 848 HE1 HIS 111 HE1 HIS 111 10.579 1.411 5.116 849 H SER 112 H SER 112 11.564 3.234 -0.563 850 HA SER 112 HA SER 112 14.023 1.586 -0.939 851 HB2 SER 112 2HB SER 112 14.811 3.052 -2.706 852 HB3 SER 112 3HB SER 112 13.249 2.386 -3.173 853 HG SER 112 HG SER 112 13.847 4.862 -3.163 854 H GLY 113 H GLY 113 16.000 2.960 -0.635 855 HA2 GLY 113 2HA GLY 113 17.168 4.752 0.431 856 HA3 GLY 113 3HA GLY 113 15.632 5.368 1.045 857 H LEU 114 H LEU 114 16.138 1.984 1.343 858 HA LEU 114 HA LEU 114 15.939 2.120 4.207 859 HB2 LEU 114 2HB LEU 114 16.853 -0.307 2.664 860 HB3 LEU 114 3HB LEU 114 15.943 -0.254 4.171 861 HG LEU 114 HG LEU 114 14.947 0.619 1.446 862 HD11 LEU 114 1HD1 LEU 114 14.125 -1.651 3.284 863 HD12 LEU 114 2HD1 LEU 114 15.035 -1.828 1.783 864 HD13 LEU 114 3HD1 LEU 114 13.367 -1.255 1.741 865 HD21 LEU 114 3HD2 LEU 114 13.746 0.784 4.219 866 HD22 LEU 114 1HD2 LEU 114 12.749 0.812 2.763 867 HD23 LEU 114 2HD2 LEU 114 13.937 2.083 3.040 868 HA PRO 115 HA PRO 115 20.268 2.534 5.240 869 HB2 PRO 115 2HB PRO 115 20.273 1.352 7.736 870 HB3 PRO 115 3HB PRO 115 19.637 2.976 7.422 871 HG2 PRO 115 2HG PRO 115 18.169 0.400 7.737 872 HG3 PRO 115 3HG PRO 115 17.739 2.023 8.312 873 HD2 PRO 115 2HD PRO 115 16.613 0.895 6.083 874 HD3 PRO 115 3HD PRO 115 16.823 2.649 6.278 875 H SER 116 H SER 116 18.764 -0.658 5.532 876 HA SER 116 HA SER 116 21.046 -1.922 4.260 877 HB2 SER 116 2HB SER 116 21.946 -1.714 6.547 878 HB3 SER 116 3HB SER 116 20.525 -2.534 7.187 879 HG SER 116 HG SER 116 21.169 -4.392 6.258 880 H ALA 117 H ALA 117 20.717 -4.384 4.267 881 HA ALA 117 HA ALA 117 18.078 -5.000 3.336 882 HB1 ALA 117 3HB ALA 117 18.898 -7.324 3.251 883 HB2 ALA 117 1HB ALA 117 20.290 -6.870 4.233 884 HB3 ALA 117 2HB ALA 117 20.108 -6.215 2.606 885 H GLU 118 H GLU 118 19.514 -5.031 6.490 886 HA GLU 118 HA GLU 118 17.883 -6.959 7.804 887 HB2 GLU 118 2HB GLU 118 19.095 -4.371 8.810 888 HB3 GLU 118 3HB GLU 118 18.345 -5.574 9.860 889 HG2 GLU 118 2HG GLU 118 19.961 -7.264 9.093 890 HG3 GLU 118 3HG GLU 118 20.698 -6.078 8.015 891 H GLN 119 H GLN 119 17.385 -3.483 7.255 892 HA GLN 119 HA GLN 119 14.810 -3.388 8.564 893 HB2 GLN 119 2HB GLN 119 16.208 -1.374 8.212 894 HB3 GLN 119 3HB GLN 119 15.994 -1.546 6.470 895 HG2 GLN 119 2HG GLN 119 13.621 -1.181 6.643 896 HG3 GLN 119 3HG GLN 119 13.687 -1.249 8.405 897 HE21 GLN 119 1HE2 GLN 119 12.842 1.032 6.576 898 HE22 GLN 119 2HE2 GLN 119 13.813 2.343 7.043 899 H CYS 120 H CYS 120 15.864 -3.842 5.214 900 HA CYS 120 HA CYS 120 13.281 -3.718 4.000 901 HB2 CYS 120 2HB CYS 120 14.346 -4.427 2.059 902 HB3 CYS 120 3HB CYS 120 15.724 -3.820 2.973 903 HG CYS 120 HG CYS 120 15.389 -6.669 2.090 904 H ALA 121 H ALA 121 15.118 -6.436 5.343 905 HA ALA 121 HA ALA 121 13.287 -8.496 4.608 906 HB1 ALA 121 3HB ALA 121 14.946 -8.455 7.134 907 HB2 ALA 121 1HB ALA 121 15.655 -8.747 5.545 908 HB3 ALA 121 2HB ALA 121 14.450 -9.862 6.193 909 H GLY 122 H GLY 122 13.557 -6.560 7.580 910 HA2 GLY 122 2HA GLY 122 11.319 -7.762 8.912 911 HA3 GLY 122 3HA GLY 122 12.026 -6.200 9.314 912 H HIS 123 H HIS 123 11.615 -4.821 6.927 913 HA HIS 123 HA HIS 123 8.852 -4.051 7.186 914 HB2 HIS 123 2HB HIS 123 11.027 -3.371 5.204 915 HB3 HIS 123 3HB HIS 123 9.400 -2.702 5.068 916 HD1 HIS 123 HD1 HIS 123 10.902 -0.405 5.543 917 HD2 HIS 123 HD2 HIS 123 10.288 -2.996 8.750 918 HE1 HIS 123 HE1 HIS 123 11.364 0.933 7.643 919 H GLU 124 H GLU 124 10.618 -5.950 4.765 920 HA GLU 124 HA GLU 124 8.615 -6.259 2.821 921 HB2 GLU 124 2HB GLU 124 10.942 -7.146 2.639 922 HB3 GLU 124 3HB GLU 124 10.525 -8.397 3.809 923 HG2 GLU 124 2HG GLU 124 8.802 -9.275 2.312 924 HG3 GLU 124 3HG GLU 124 9.130 -7.991 1.148 925 H GLU 125 H GLU 125 9.176 -8.231 5.731 926 HA GLU 125 HA GLU 125 6.881 -9.929 5.344 927 HB2 GLU 125 2HB GLU 125 8.817 -10.498 6.810 928 HB3 GLU 125 3HB GLU 125 8.321 -9.215 7.914 929 HG2 GLU 125 2HG GLU 125 6.170 -10.323 8.287 930 HG3 GLU 125 3HG GLU 125 6.601 -11.586 7.134 931 H GLY 126 H GLY 126 7.415 -6.892 7.077 932 HA2 GLY 126 2HA GLY 126 4.885 -6.784 8.416 933 HA3 GLY 126 3HA GLY 126 5.906 -5.393 8.061 934 H TRP 127 H TRP 127 5.961 -5.509 5.275 935 HA TRP 127 HA TRP 127 3.516 -4.212 4.580 936 HB2 TRP 127 2HB TRP 127 5.702 -5.437 2.884 937 HB3 TRP 127 3HB TRP 127 4.352 -4.536 2.201 938 HD1 TRP 127 HD1 TRP 127 7.761 -4.028 3.288 939 HE1 TRP 127 HE1 TRP 127 8.241 -1.553 3.820 940 HE3 TRP 127 HE3 TRP 127 2.984 -2.226 3.498 941 HZ2 TRP 127 HZ2 TRP 127 6.792 0.870 4.273 942 HZ3 TRP 127 HZ3 TRP 127 2.566 0.165 3.979 943 HH2 TRP 127 HH2 TRP 127 4.462 1.715 4.365 944 H ALA 128 H ALA 128 4.626 -7.539 4.177 945 HA ALA 128 HA ALA 128 2.554 -8.487 2.485 946 HB1 ALA 128 3HB ALA 128 3.943 -9.997 4.714 947 HB2 ALA 128 1HB ALA 128 4.610 -9.766 3.097 948 HB3 ALA 128 2HB ALA 128 3.135 -10.707 3.317 949 H HIS 129 H HIS 129 2.718 -8.424 6.058 950 HA HIS 129 HA HIS 129 0.098 -9.556 6.440 951 HB2 HIS 129 2HB HIS 129 1.862 -7.856 8.214 952 HB3 HIS 129 3HB HIS 129 0.321 -8.524 8.752 953 HD1 HIS 129 HD1 HIS 129 0.181 -11.289 8.178 954 HD2 HIS 129 HD2 HIS 129 3.937 -9.581 8.774 955 HE1 HIS 129 HE1 HIS 129 1.753 -13.194 8.732 956 H TYR 130 H TYR 130 1.278 -6.208 6.314 957 HA TYR 130 HA TYR 130 -1.204 -4.928 6.912 958 HB2 TYR 130 2HB TYR 130 1.318 -4.117 5.485 959 HB3 TYR 130 3HB TYR 130 -0.076 -3.039 5.438 960 HD1 TYR 130 HD1 TYR 130 1.408 -5.252 8.105 961 HD2 TYR 130 HD2 TYR 130 0.188 -1.290 6.965 962 HE1 TYR 130 HE1 TYR 130 1.965 -4.427 10.370 963 HE2 TYR 130 HE2 TYR 130 0.750 -0.468 9.233 964 HH TYR 130 HH TYR 130 0.961 -2.131 11.787 965 H LEU 131 H LEU 131 0.271 -5.822 3.804 966 HA LEU 131 HA LEU 131 -1.836 -4.819 2.147 967 HB2 LEU 131 2HB LEU 131 0.196 -7.022 1.739 968 HB3 LEU 131 3HB LEU 131 -0.898 -6.488 0.469 969 HG LEU 131 HG LEU 131 0.931 -4.585 1.958 970 HD11 LEU 131 1HD1 LEU 131 1.441 -6.150 -0.590 971 HD12 LEU 131 2HD1 LEU 131 2.382 -6.206 0.901 972 HD13 LEU 131 3HD1 LEU 131 2.392 -4.750 -0.094 973 HD21 LEU 131 3HD2 LEU 131 -0.726 -3.328 0.823 974 HD22 LEU 131 1HD2 LEU 131 -0.761 -4.439 -0.547 975 HD23 LEU 131 2HD2 LEU 131 0.609 -3.354 -0.322 976 H GLY 132 H GLY 132 -1.275 -7.989 3.613 977 HA2 GLY 132 2HA GLY 132 -3.457 -9.352 2.393 978 HA3 GLY 132 3HA GLY 132 -2.713 -9.804 3.926 979 H ARG 133 H ARG 133 -3.282 -7.489 5.420 980 HA ARG 133 HA ARG 133 -5.986 -8.016 6.236 981 HB2 ARG 133 2HB ARG 133 -4.069 -5.761 6.876 982 HB3 ARG 133 3HB ARG 133 -5.654 -5.922 7.633 983 HG2 ARG 133 2HG ARG 133 -5.051 -8.124 8.508 984 HG3 ARG 133 3HG ARG 133 -3.496 -8.052 7.681 985 HD2 ARG 133 2HD ARG 133 -3.174 -7.444 10.019 986 HD3 ARG 133 3HD ARG 133 -2.928 -6.013 9.020 987 HE ARG 133 HE ARG 133 -5.668 -6.150 9.854 988 HH11 ARG 133 1HH2 ARG 133 -2.467 -5.535 10.998 989 HH12 ARG 133 2HH2 ARG 133 -2.987 -4.465 12.257 990 HH21 ARG 133 1HH1 ARG 133 -6.349 -4.769 11.490 991 HH22 ARG 133 2HH1 ARG 133 -5.181 -4.028 12.533 992 H LEU 134 H LEU 134 -4.512 -5.454 4.281 993 HA LEU 134 HA LEU 134 -6.852 -3.841 4.013 994 HB2 LEU 134 2HB LEU 134 -4.625 -3.008 3.400 995 HB3 LEU 134 3HB LEU 134 -4.520 -4.201 2.108 996 HG LEU 134 HG LEU 134 -6.430 -3.171 0.957 997 HD11 LEU 134 1HD1 LEU 134 -6.532 -1.517 3.473 998 HD12 LEU 134 2HD1 LEU 134 -7.850 -2.302 2.601 999 HD13 LEU 134 3HD1 LEU 134 -7.120 -0.835 1.956 1000 HD21 LEU 134 3HD2 LEU 134 -4.200 -2.293 0.458 1001 HD22 LEU 134 1HD2 LEU 134 -4.319 -1.162 1.806 1002 HD23 LEU 134 2HD2 LEU 134 -5.383 -0.986 0.409 1003 H THR 135 H THR 135 -5.605 -6.535 2.075 1004 HA THR 135 HA THR 135 -7.524 -6.417 -0.028 1005 HB THR 135 HB THR 135 -6.300 -8.938 1.111 1006 HG1 THR 135 HG1 THR 135 -5.217 -7.072 -0.728 1007 HG21 THR 135 3HG2 THR 135 -8.028 -9.235 -0.622 1008 HG22 THR 135 1HG2 THR 135 -6.437 -9.700 -1.221 1009 HG23 THR 135 2HG2 THR 135 -7.139 -8.152 -1.694 1010 H GLU 136 H GLU 136 -7.560 -8.215 3.043 1011 HA GLU 136 HA GLU 136 -10.069 -9.520 2.645 1012 HB2 GLU 136 2HB GLU 136 -8.636 -8.655 5.171 1013 HB3 GLU 136 3HB GLU 136 -10.066 -9.687 5.163 1014 HG2 GLU 136 2HG GLU 136 -8.891 -11.363 3.827 1015 HG3 GLU 136 3HG GLU 136 -7.478 -10.315 3.713 1016 H VAL 137 H VAL 137 -9.265 -6.452 4.269 1017 HA VAL 137 HA VAL 137 -11.967 -5.791 4.990 1018 HB VAL 137 HB VAL 137 -9.534 -4.046 4.541 1019 HG11 VAL 137 1HG1 VAL 137 -11.426 -2.603 4.373 1020 HG12 VAL 137 2HG1 VAL 137 -10.859 -2.449 6.035 1021 HG13 VAL 137 3HG1 VAL 137 -12.272 -3.440 5.674 1022 HG21 VAL 137 3HG2 VAL 137 -9.423 -5.789 6.355 1023 HG22 VAL 137 1HG2 VAL 137 -10.819 -5.016 7.110 1024 HG23 VAL 137 2HG2 VAL 137 -9.302 -4.134 6.947 1025 H ALA 138 H ALA 138 -9.939 -4.911 2.211 1026 HA ALA 138 HA ALA 138 -11.827 -3.176 0.942 1027 HB1 ALA 138 3HB ALA 138 -9.341 -3.467 0.410 1028 HB2 ALA 138 1HB ALA 138 -10.418 -3.331 -0.978 1029 HB3 ALA 138 2HB ALA 138 -9.809 -4.911 -0.487 1030 H ALA 139 H ALA 139 -11.333 -6.672 0.793 1031 HA ALA 139 HA ALA 139 -13.219 -7.113 -1.362 1032 HB1 ALA 139 3HB ALA 139 -12.030 -8.942 0.744 1033 HB2 ALA 139 1HB ALA 139 -11.525 -8.783 -0.939 1034 HB3 ALA 139 2HB ALA 139 -13.084 -9.513 -0.550 1035 H GLY 140 H GLY 140 -13.711 -5.937 1.644 1036 HA2 GLY 140 2HA GLY 140 -15.771 -5.531 2.744 1037 HA3 GLY 140 3HA GLY 140 -16.560 -6.630 1.610 1038 H ARG 141 H ARG 141 -13.813 -8.109 2.777 1039 HA ARG 141 HA ARG 141 -15.429 -9.841 4.548 1040 HB2 ARG 141 2HB ARG 141 -12.611 -10.089 3.479 1041 HB3 ARG 141 3HB ARG 141 -13.355 -11.260 4.568 1042 HG2 ARG 141 2HG ARG 141 -15.177 -11.619 2.935 1043 HG3 ARG 141 3HG ARG 141 -14.420 -10.460 1.842 1044 HD2 ARG 141 2HD ARG 141 -13.029 -12.958 2.846 1045 HD3 ARG 141 3HD ARG 141 -13.900 -12.878 1.317 1046 HE ARG 141 HE ARG 141 -12.052 -10.735 1.348 1047 HH11 ARG 141 1HH2 ARG 141 -12.122 -14.189 1.360 1048 HH12 ARG 141 2HH2 ARG 141 -10.611 -14.349 0.531 1049 HH21 ARG 141 1HH1 ARG 141 -10.087 -10.936 0.267 1050 HH22 ARG 141 2HH1 ARG 141 -9.460 -12.511 -0.087 1051 H ASP 142 H ASP 142 -14.519 -10.518 6.641 1052 HA ASP 142 HA ASP 142 -13.737 -8.191 8.175 1053 HB2 ASP 142 2HB ASP 142 -15.229 -9.651 9.278 1054 HB3 ASP 142 3HB ASP 142 -14.292 -11.077 8.839 1055 HA PRO 143 HA PRO 143 -9.336 -8.912 7.896 1056 HB2 PRO 143 2HB PRO 143 -8.481 -7.489 10.076 1057 HB3 PRO 143 3HB PRO 143 -9.059 -6.721 8.583 1058 HG2 PRO 143 2HG PRO 143 -10.519 -7.194 11.147 1059 HG3 PRO 143 3HG PRO 143 -10.503 -5.755 10.108 1060 HD2 PRO 143 2HD PRO 143 -12.542 -7.559 10.054 1061 HD3 PRO 143 3HD PRO 143 -12.041 -6.648 8.612 1062 H GLY 144 H GLY 144 -7.776 -10.285 8.721 1063 HA2 GLY 144 2HA GLY 144 -8.668 -12.232 10.715 1064 HA3 GLY 144 3HA GLY 144 -7.171 -12.300 9.788 1065 HA PRO 145 HA PRO 145 -6.395 -10.886 14.232 1066 HB2 PRO 145 2HB PRO 145 -4.885 -13.035 15.026 1067 HB3 PRO 145 3HB PRO 145 -6.652 -12.981 15.180 1068 HG2 PRO 145 2HG PRO 145 -4.978 -14.307 13.090 1069 HG3 PRO 145 3HG PRO 145 -6.436 -14.899 13.909 1070 HD2 PRO 145 2HD PRO 145 -6.496 -13.837 11.391 1071 HD3 PRO 145 3HD PRO 145 -7.867 -13.705 12.515 1072 H ASP 146 H ASP 146 -4.432 -10.001 14.981 1073 HA ASP 146 HA ASP 146 -2.070 -10.237 13.151 1074 HB2 ASP 146 2HB ASP 146 -3.438 -8.069 12.988 1075 HB3 ASP 146 3HB ASP 146 -2.847 -7.712 14.612 1076 HA PRO 147 HA PRO 147 -0.895 -11.088 17.584 1077 HB2 PRO 147 2HB PRO 147 0.362 -13.485 17.150 1078 HB3 PRO 147 3HB PRO 147 -1.384 -13.352 17.435 1079 HG2 PRO 147 2HG PRO 147 0.091 -13.763 14.883 1080 HG3 PRO 147 3HG PRO 147 -1.484 -14.397 15.393 1081 HD2 PRO 147 2HD PRO 147 -1.131 -12.234 13.672 1082 HD3 PRO 147 3HD PRO 147 -2.616 -12.552 14.592 1083 H PHE 148 H PHE 148 0.680 -10.691 14.598 1084 HA PHE 148 HA PHE 148 3.411 -10.953 15.532 1085 HB2 PHE 148 2HB PHE 148 2.904 -11.204 13.164 1086 HB3 PHE 148 3HB PHE 148 2.256 -9.564 13.101 1087 HD1 PHE 148 HD2 PHE 148 5.310 -11.603 13.386 1088 HD2 PHE 148 HD1 PHE 148 3.725 -7.617 13.180 1089 HE1 PHE 148 HE2 PHE 148 7.588 -10.721 12.965 1090 HE2 PHE 148 HE1 PHE 148 6.004 -6.732 12.760 1091 HZ PHE 148 HZ PHE 148 7.935 -8.284 12.655 1092 H TYR 149 H TYR 149 4.452 -9.539 16.798 1093 HA TYR 149 HA TYR 149 4.132 -6.660 16.434 1094 HB2 TYR 149 2HB TYR 149 2.217 -7.093 17.888 1095 HB3 TYR 149 3HB TYR 149 3.246 -7.970 19.022 1096 HD1 TYR 149 HD1 TYR 149 2.676 -4.630 17.461 1097 HD2 TYR 149 HD2 TYR 149 4.523 -6.815 20.667 1098 HE1 TYR 149 HE1 TYR 149 3.242 -2.496 18.590 1099 HE2 TYR 149 HE2 TYR 149 5.089 -4.680 21.794 1100 HH TYR 149 HH TYR 149 4.078 -2.258 21.751 1101 H GLY 150 H GLY 150 6.275 -6.269 16.287 1102 HA2 GLY 150 2HA GLY 150 8.449 -5.873 17.093 1103 HA3 GLY 150 3HA GLY 150 7.966 -6.561 18.641 1104 H ARG 151 H ARG 151 7.059 -8.754 16.353 1105 HA ARG 151 HA ARG 151 7.913 -10.820 15.688 1106 HB2 ARG 151 2HB ARG 151 9.529 -9.244 14.496 1107 HB3 ARG 151 3HB ARG 151 10.656 -9.542 15.819 1108 HG2 ARG 151 2HG ARG 151 10.588 -11.952 15.369 1109 HG3 ARG 151 3HG ARG 151 9.412 -11.692 14.080 1110 HD2 ARG 151 2HD ARG 151 11.633 -11.914 13.097 1111 HD3 ARG 151 3HD ARG 151 11.074 -10.255 12.901 1112 HE ARG 151 HE ARG 151 12.721 -9.540 14.464 1113 HH11 ARG 151 1HH2 ARG 151 12.523 -12.985 14.206 1114 HH12 ARG 151 2HH2 ARG 151 13.986 -13.257 15.090 1115 HH21 ARG 151 1HH1 ARG 151 14.618 -9.893 15.611 1116 HH22 ARG 151 2HH1 ARG 151 15.170 -11.510 15.886 1117 H ARG 152 H ARG 152 8.441 -12.679 16.751 1118 HA ARG 152 HA ARG 152 9.071 -12.476 19.585 1119 HB2 ARG 152 2HB ARG 152 8.648 -14.846 17.754 1120 HB3 ARG 152 3HB ARG 152 8.942 -14.993 19.487 1121 HG2 ARG 152 2HG ARG 152 6.953 -13.593 19.940 1122 HG3 ARG 152 3HG ARG 152 6.658 -13.462 18.206 1123 HD2 ARG 152 2HD ARG 152 6.422 -15.921 18.069 1124 HD3 ARG 152 3HD ARG 152 6.685 -16.038 19.808 1125 HE ARG 152 HE ARG 152 4.238 -15.080 18.481 1126 HH11 ARG 152 1HH2 ARG 152 6.151 -15.281 21.353 1127 HH12 ARG 152 2HH2 ARG 152 4.808 -15.033 22.417 1128 HH21 ARG 152 1HH1 ARG 152 2.488 -14.764 19.858 1129 HH22 ARG 152 2HH1 ARG 152 2.736 -14.742 21.572 1130 H LEU 153 H LEU 153 10.926 -13.168 20.630 1131 HA LEU 153 HA LEU 153 13.368 -13.169 18.992 1132 HB2 LEU 153 2HB LEU 153 13.343 -11.865 21.061 1133 HB3 LEU 153 3HB LEU 153 12.936 -13.304 21.992 1134 HG LEU 153 HG LEU 153 15.084 -14.331 21.409 1135 HD11 LEU 153 1HD1 LEU 153 16.767 -12.672 20.250 1136 HD12 LEU 153 2HD1 LEU 153 15.302 -11.908 19.632 1137 HD13 LEU 153 3HD1 LEU 153 15.644 -13.597 19.258 1138 HD21 LEU 153 3HD2 LEU 153 15.230 -11.494 22.462 1139 HD22 LEU 153 1HD2 LEU 153 16.603 -12.602 22.490 1140 HD23 LEU 153 2HD2 LEU 153 15.141 -12.988 23.396 1141 H GLU 154 H GLU 154 14.452 -14.980 18.420 1142 HA GLU 154 HA GLU 154 13.816 -17.547 19.833 1143 HB2 GLU 154 2HB GLU 154 14.012 -18.699 17.679 1144 HB3 GLU 154 3HB GLU 154 12.750 -17.472 17.607 1145 HG2 GLU 154 2HG GLU 154 14.395 -15.896 16.578 1146 HG3 GLU 154 3HG GLU 154 15.581 -17.203 16.553 1147 H HIS 155 H HIS 155 15.518 -18.812 20.350 1148 HA HIS 155 HA HIS 155 17.725 -19.372 20.820 1149 HB2 HIS 155 2HB HIS 155 18.054 -18.303 18.001 1150 HB3 HIS 155 3HB HIS 155 19.321 -19.147 18.890 1151 HD1 HIS 155 HD1 HIS 155 15.935 -19.697 17.317 1152 HD2 HIS 155 HD2 HIS 155 18.926 -21.944 19.158 1153 HE1 HIS 155 HE1 HIS 155 15.357 -22.130 16.912 1154 H HIS 156 H HIS 156 17.964 -17.832 22.509 1155 HA HIS 156 HA HIS 156 19.931 -15.718 21.879 1156 HB2 HIS 156 2HB HIS 156 18.677 -13.975 23.057 1157 HB3 HIS 156 3HB HIS 156 17.729 -14.586 21.703 1158 HD1 HIS 156 HD1 HIS 156 15.895 -16.499 22.394 1159 HD2 HIS 156 HD2 HIS 156 17.359 -14.116 25.486 1160 HE1 HIS 156 HE1 HIS 156 14.267 -16.741 24.318 1161 H HIS 157 H HIS 157 21.541 -16.197 23.248 1162 HA HIS 157 HA HIS 157 20.942 -16.523 26.132 1163 HB2 HIS 157 2HB HIS 157 22.488 -18.566 24.506 1164 HB3 HIS 157 3HB HIS 157 22.395 -18.542 26.267 1165 HD1 HIS 157 HD1 HIS 157 19.858 -18.674 27.258 1166 HD2 HIS 157 HD2 HIS 157 20.365 -19.886 23.302 1167 HE1 HIS 157 HE1 HIS 157 17.799 -20.020 26.654 1168 H HIS 158 H HIS 158 22.646 -15.840 27.437 1169 HA HIS 158 HA HIS 158 25.286 -15.298 26.290 1170 HB2 HIS 158 2HB HIS 158 25.208 -12.867 26.877 1171 HB3 HIS 158 3HB HIS 158 24.126 -13.292 25.552 1172 HD1 HIS 158 HD1 HIS 158 21.565 -13.288 26.042 1173 HD2 HIS 158 HD2 HIS 158 23.904 -12.049 29.265 1174 HE1 HIS 158 HE1 HIS 158 19.983 -12.213 27.705 1175 H HIS 159 H HIS 159 26.832 -14.695 27.953 1176 HA HIS 159 HA HIS 159 25.924 -14.748 30.766 1177 HB2 HIS 159 2HB HIS 159 27.337 -16.635 31.375 1178 HB3 HIS 159 3HB HIS 159 26.250 -17.154 30.089 1179 HD1 HIS 159 HD1 HIS 159 27.332 -17.115 27.595 1180 HD2 HIS 159 HD2 HIS 159 30.035 -16.927 30.763 1181 HE1 HIS 159 HE1 HIS 159 29.600 -17.717 26.639 1182 H HIS 160 H HIS 160 28.713 -14.774 28.545 1183 HA HIS 160 HA HIS 160 30.699 -13.755 30.224 1184 HB2 HIS 160 2HB HIS 160 31.764 -12.851 28.211 1185 HB3 HIS 160 3HB HIS 160 31.065 -14.432 27.863 1186 HD1 HIS 160 HD1 HIS 160 28.615 -14.357 26.682 1187 HD2 HIS 160 HD2 HIS 160 30.815 -10.818 26.572 1188 HE1 HIS 160 HE1 HIS 160 27.555 -12.910 24.895 Start of MODEL 8 1 H1 MET 1 1H MET 1 26.885 7.594 -17.062 2 H2 MET 1 2H MET 1 26.839 5.930 -17.395 3 H3 MET 1 3H MET 1 28.240 6.629 -16.733 4 HA MET 1 HA MET 1 27.100 5.479 -14.991 5 HB2 MET 1 2HB MET 1 28.126 7.703 -14.471 6 HB3 MET 1 3HB MET 1 26.574 8.468 -14.808 7 HG2 MET 1 2HG MET 1 25.523 7.171 -13.005 8 HG3 MET 1 3HG MET 1 27.052 6.355 -12.684 9 HE1 MET 1 3HE MET 1 25.751 10.595 -11.632 10 HE2 MET 1 1HE MET 1 24.758 9.167 -11.946 11 HE3 MET 1 2HE MET 1 25.605 9.963 -13.269 12 H GLU 2 H GLU 2 25.123 7.268 -17.171 13 HA GLU 2 HA GLU 2 22.620 7.132 -15.783 14 HB2 GLU 2 2HB GLU 2 21.622 7.542 -18.004 15 HB3 GLU 2 3HB GLU 2 22.990 8.614 -17.713 16 HG2 GLU 2 2HG GLU 2 24.450 7.046 -18.988 17 HG3 GLU 2 3HG GLU 2 23.032 6.058 -19.348 18 H LYS 3 H LYS 3 21.045 5.569 -15.755 19 HA LYS 3 HA LYS 3 20.177 3.396 -15.802 20 HB2 LYS 3 2HB LYS 3 21.413 3.584 -18.562 21 HB3 LYS 3 3HB LYS 3 20.395 2.244 -18.036 22 HG2 LYS 3 2HG LYS 3 18.545 3.772 -17.592 23 HG3 LYS 3 3HG LYS 3 19.560 5.156 -17.985 24 HD2 LYS 3 2HD LYS 3 18.329 4.784 -19.968 25 HD3 LYS 3 3HD LYS 3 19.887 4.029 -20.290 26 HE2 LYS 3 2HE LYS 3 19.001 1.831 -19.828 27 HE3 LYS 3 3HE LYS 3 17.489 2.509 -19.225 28 HZ1 LYS 3 3HZ LYS 3 16.697 2.587 -21.272 29 HZ2 LYS 3 1HZ LYS 3 18.083 1.776 -21.818 30 HZ3 LYS 3 2HZ LYS 3 18.037 3.475 -21.824 31 H ALA 4 H ALA 4 23.318 3.997 -15.441 32 HA ALA 4 HA ALA 4 24.355 1.260 -15.786 33 HB1 ALA 4 3HB ALA 4 25.751 3.544 -14.382 34 HB2 ALA 4 1HB ALA 4 25.681 3.450 -16.141 35 HB3 ALA 4 2HB ALA 4 26.470 2.169 -15.221 36 H MET 5 H MET 5 22.352 2.652 -13.612 37 HA MET 5 HA MET 5 23.439 1.055 -11.313 38 HB2 MET 5 2HB MET 5 23.349 3.632 -11.096 39 HB3 MET 5 3HB MET 5 21.600 3.432 -11.018 40 HG2 MET 5 2HG MET 5 23.517 1.939 -9.201 41 HG3 MET 5 3HG MET 5 22.774 3.475 -8.766 42 HE1 MET 5 3HE MET 5 21.075 0.590 -6.722 43 HE2 MET 5 1HE MET 5 21.430 2.313 -6.538 44 HE3 MET 5 2HE MET 5 22.690 1.203 -7.067 45 HA PRO 6 HA PRO 6 19.475 -0.914 -12.716 46 HB2 PRO 6 2HB PRO 6 20.711 -3.168 -11.191 47 HB3 PRO 6 3HB PRO 6 19.997 -3.165 -12.816 48 HG2 PRO 6 2HG PRO 6 22.645 -3.289 -12.448 49 HG3 PRO 6 3HG PRO 6 21.933 -2.409 -13.812 50 HD2 PRO 6 2HD PRO 6 23.122 -1.321 -11.283 51 HD3 PRO 6 3HD PRO 6 23.163 -0.650 -12.928 52 H GLU 7 H GLU 7 17.611 -1.295 -11.481 53 HA GLU 7 HA GLU 7 17.373 -0.056 -8.970 54 HB2 GLU 7 2HB GLU 7 15.471 -0.584 -10.470 55 HB3 GLU 7 3HB GLU 7 15.643 -2.292 -10.060 56 HG2 GLU 7 2HG GLU 7 15.207 -1.797 -7.701 57 HG3 GLU 7 3HG GLU 7 15.106 -0.075 -8.063 58 H SER 8 H SER 8 17.679 -0.704 -6.890 59 HA SER 8 HA SER 8 17.786 -3.524 -6.151 60 HB2 SER 8 2HB SER 8 20.092 -3.525 -5.354 61 HB3 SER 8 3HB SER 8 20.065 -3.162 -7.076 62 HG SER 8 HG SER 8 19.907 -1.042 -5.262 63 H PHE 9 H PHE 9 18.228 -3.748 -3.775 64 HA PHE 9 HA PHE 9 17.661 -3.189 -1.587 65 HB2 PHE 9 2HB PHE 9 18.772 -0.543 -2.557 66 HB3 PHE 9 3HB PHE 9 18.239 -0.798 -0.898 67 HD1 PHE 9 HD2 PHE 9 19.387 -2.430 0.564 68 HD2 PHE 9 HD1 PHE 9 20.785 -1.594 -3.410 69 HE1 PHE 9 HE2 PHE 9 21.554 -3.513 1.098 70 HE2 PHE 9 HE1 PHE 9 22.952 -2.674 -2.876 71 HZ PHE 9 HZ PHE 9 23.337 -3.632 -0.621 72 H VAL 10 H VAL 10 15.712 -2.835 -3.861 73 HA VAL 10 HA VAL 10 13.793 -0.983 -2.480 74 HB VAL 10 HB VAL 10 14.104 -1.665 -5.415 75 HG11 VAL 10 1HG1 VAL 10 12.091 -0.081 -5.636 76 HG12 VAL 10 2HG1 VAL 10 11.816 -0.370 -3.918 77 HG13 VAL 10 3HG1 VAL 10 11.747 -1.713 -5.059 78 HG21 VAL 10 3HG2 VAL 10 15.477 0.183 -4.263 79 HG22 VAL 10 1HG2 VAL 10 13.947 1.036 -4.062 80 HG23 VAL 10 2HG2 VAL 10 14.543 0.663 -5.680 81 H VAL 11 H VAL 11 11.880 -1.865 -1.845 82 HA VAL 11 HA VAL 11 11.483 -4.780 -2.355 83 HB VAL 11 HB VAL 11 10.445 -2.877 -0.243 84 HG11 VAL 11 1HG1 VAL 11 9.616 -5.707 -0.913 85 HG12 VAL 11 2HG1 VAL 11 8.583 -4.302 -0.657 86 HG13 VAL 11 3HG1 VAL 11 9.420 -5.039 0.707 87 HG21 VAL 11 3HG2 VAL 11 12.085 -5.424 -0.077 88 HG22 VAL 11 1HG2 VAL 11 11.691 -4.343 1.260 89 HG23 VAL 11 2HG2 VAL 11 12.761 -3.795 -0.030 90 H ARG 12 H ARG 12 9.910 -5.406 -3.698 91 HA ARG 12 HA ARG 12 7.810 -3.430 -4.514 92 HB2 ARG 12 2HB ARG 12 8.963 -5.846 -5.942 93 HB3 ARG 12 3HB ARG 12 7.599 -4.900 -6.539 94 HG2 ARG 12 2HG ARG 12 8.998 -2.879 -6.587 95 HG3 ARG 12 3HG ARG 12 10.362 -3.798 -5.954 96 HD2 ARG 12 2HD ARG 12 8.954 -4.477 -8.550 97 HD3 ARG 12 3HD ARG 12 10.403 -3.478 -8.459 98 HE ARG 12 HE ARG 12 10.939 -5.887 -7.061 99 HH11 ARG 12 1HH2 ARG 12 10.232 -4.750 -10.251 100 HH12 ARG 12 2HH2 ARG 12 11.136 -6.006 -11.032 101 HH21 ARG 12 1HH1 ARG 12 12.115 -7.518 -8.075 102 HH22 ARG 12 2HH1 ARG 12 12.198 -7.568 -9.805 103 H ARG 13 H ARG 13 5.696 -3.949 -4.102 104 HA ARG 13 HA ARG 13 5.017 -6.765 -3.425 105 HB2 ARG 13 2HB ARG 13 5.353 -4.782 -1.458 106 HB3 ARG 13 3HB ARG 13 3.614 -4.821 -1.700 107 HG2 ARG 13 2HG ARG 13 3.971 -6.441 -0.040 108 HG3 ARG 13 3HG ARG 13 3.853 -7.403 -1.512 109 HD2 ARG 13 2HD ARG 13 6.342 -7.408 -1.671 110 HD3 ARG 13 3HD ARG 13 6.417 -6.507 -0.159 111 HE ARG 13 HE ARG 13 4.878 -8.770 0.403 112 HH11 ARG 13 1HH2 ARG 13 8.026 -8.032 -0.807 113 HH12 ARG 13 2HH2 ARG 13 8.751 -9.460 -0.151 114 HH21 ARG 13 1HH1 ARG 13 5.807 -10.629 1.255 115 HH22 ARG 13 2HH1 ARG 13 7.496 -10.931 1.017 116 H GLU 14 H GLU 14 2.927 -7.339 -3.972 117 HA GLU 14 HA GLU 14 1.180 -5.229 -5.166 118 HB2 GLU 14 2HB GLU 14 2.065 -7.815 -6.466 119 HB3 GLU 14 3HB GLU 14 0.706 -6.849 -7.040 120 HG2 GLU 14 2HG GLU 14 2.182 -4.914 -7.353 121 HG3 GLU 14 3HG GLU 14 3.546 -5.840 -6.726 122 H ALA 15 H ALA 15 -1.046 -5.769 -5.173 123 HA ALA 15 HA ALA 15 -1.887 -8.316 -3.929 124 HB1 ALA 15 3HB ALA 15 -1.488 -6.764 -2.018 125 HB2 ALA 15 1HB ALA 15 -3.187 -7.214 -2.175 126 HB3 ALA 15 2HB ALA 15 -2.639 -5.631 -2.728 127 H HIS 16 H HIS 16 -3.903 -8.924 -4.652 128 HA HIS 16 HA HIS 16 -5.160 -7.190 -6.709 129 HB2 HIS 16 2HB HIS 16 -4.738 -9.471 -7.383 130 HB3 HIS 16 3HB HIS 16 -5.518 -10.098 -5.933 131 HD1 HIS 16 HD1 HIS 16 -6.394 -8.082 -9.044 132 HD2 HIS 16 HD2 HIS 16 -8.240 -10.544 -6.233 133 HE1 HIS 16 HE1 HIS 16 -8.770 -8.429 -9.847 134 H LEU 17 H LEU 17 -6.795 -5.899 -6.059 135 HA LEU 17 HA LEU 17 -8.485 -6.754 -3.733 136 HB2 LEU 17 2HB LEU 17 -7.847 -3.997 -4.824 137 HB3 LEU 17 3HB LEU 17 -9.040 -4.310 -3.566 138 HG LEU 17 HG LEU 17 -7.063 -5.572 -2.361 139 HD11 LEU 17 1HD1 LEU 17 -5.373 -5.542 -4.045 140 HD12 LEU 17 2HD1 LEU 17 -4.875 -4.349 -2.853 141 HD13 LEU 17 3HD1 LEU 17 -5.608 -3.825 -4.366 142 HD21 LEU 17 3HD2 LEU 17 -6.421 -3.502 -1.232 143 HD22 LEU 17 1HD2 LEU 17 -8.154 -3.492 -1.559 144 HD23 LEU 17 2HD2 LEU 17 -7.060 -2.549 -2.570 145 H ALA 18 H ALA 18 -10.603 -7.025 -4.046 146 HA ALA 18 HA ALA 18 -11.652 -6.886 -6.786 147 HB1 ALA 18 3HB ALA 18 -12.075 -8.737 -5.006 148 HB2 ALA 18 1HB ALA 18 -13.449 -8.184 -5.965 149 HB3 ALA 18 2HB ALA 18 -13.234 -7.603 -4.314 150 H ALA 19 H ALA 19 -11.254 -4.684 -4.358 151 HA ALA 19 HA ALA 19 -13.875 -3.355 -4.691 152 HB1 ALA 19 3HB ALA 19 -11.548 -2.224 -3.138 153 HB2 ALA 19 1HB ALA 19 -12.510 -3.546 -2.481 154 HB3 ALA 19 2HB ALA 19 -13.279 -2.007 -2.860 155 HA PRO 20 HA PRO 20 -12.348 -0.733 -7.905 156 HB2 PRO 20 2HB PRO 20 -13.884 1.543 -7.507 157 HB3 PRO 20 3HB PRO 20 -14.475 0.063 -8.286 158 HG2 PRO 20 2HG PRO 20 -14.858 1.008 -5.484 159 HG3 PRO 20 3HG PRO 20 -15.991 0.166 -6.557 160 HD2 PRO 20 2HD PRO 20 -14.629 -1.105 -4.548 161 HD3 PRO 20 3HD PRO 20 -15.134 -1.925 -6.041 162 HA PRO 21 HA PRO 21 -9.143 2.028 -6.538 163 HB2 PRO 21 2HB PRO 21 -10.327 4.209 -8.225 164 HB3 PRO 21 3HB PRO 21 -8.677 3.557 -8.225 165 HG2 PRO 21 2HG PRO 21 -10.427 2.965 -10.160 166 HG3 PRO 21 3HG PRO 21 -9.234 1.785 -9.584 167 HD2 PRO 21 2HD PRO 21 -12.178 1.886 -9.078 168 HD3 PRO 21 3HD PRO 21 -11.086 0.491 -9.176 169 H ALA 22 H ALA 22 -12.345 3.563 -6.745 170 HA ALA 22 HA ALA 22 -11.853 5.677 -4.883 171 HB1 ALA 22 3HB ALA 22 -14.411 4.251 -5.656 172 HB2 ALA 22 1HB ALA 22 -13.782 5.741 -6.357 173 HB3 ALA 22 2HB ALA 22 -14.356 5.725 -4.689 174 H ALA 23 H ALA 23 -13.078 2.372 -4.465 175 HA ALA 23 HA ALA 23 -13.704 2.590 -1.683 176 HB1 ALA 23 3HB ALA 23 -14.545 0.697 -2.871 177 HB2 ALA 23 1HB ALA 23 -13.350 0.055 -1.743 178 HB3 ALA 23 2HB ALA 23 -12.937 0.257 -3.444 179 H VAL 24 H VAL 24 -10.744 1.495 -3.351 180 HA VAL 24 HA VAL 24 -9.256 0.936 -0.961 181 HB VAL 24 HB VAL 24 -8.328 1.702 -3.743 182 HG11 VAL 24 1HG1 VAL 24 -6.206 0.490 -2.925 183 HG12 VAL 24 2HG1 VAL 24 -6.839 0.737 -1.297 184 HG13 VAL 24 3HG1 VAL 24 -6.477 2.126 -2.323 185 HG21 VAL 24 3HG2 VAL 24 -8.747 -0.948 -2.331 186 HG22 VAL 24 1HG2 VAL 24 -7.880 -0.783 -3.859 187 HG23 VAL 24 2HG2 VAL 24 -9.589 -0.358 -3.765 188 H PHE 25 H PHE 25 -9.405 3.815 -3.057 189 HA PHE 25 HA PHE 25 -7.516 5.387 -1.613 190 HB2 PHE 25 2HB PHE 25 -8.303 6.027 -3.844 191 HB3 PHE 25 3HB PHE 25 -9.936 6.260 -3.220 192 HD1 PHE 25 HD1 PHE 25 -6.409 7.360 -2.550 193 HD2 PHE 25 HD2 PHE 25 -10.576 8.411 -2.534 194 HE1 PHE 25 HE1 PHE 25 -5.825 9.678 -1.896 195 HE2 PHE 25 HE2 PHE 25 -9.988 10.730 -1.879 196 HZ PHE 25 HZ PHE 25 -7.612 11.363 -1.561 197 H ALA 26 H ALA 26 -11.046 5.089 -1.295 198 HA ALA 26 HA ALA 26 -11.482 7.045 0.683 199 HB1 ALA 26 3HB ALA 26 -12.824 4.351 0.357 200 HB2 ALA 26 1HB ALA 26 -13.308 5.855 -0.425 201 HB3 ALA 26 2HB ALA 26 -13.454 5.685 1.324 202 H LEU 27 H LEU 27 -10.637 3.603 1.105 203 HA LEU 27 HA LEU 27 -10.566 3.655 3.965 204 HB2 LEU 27 2HB LEU 27 -9.354 1.878 1.855 205 HB3 LEU 27 3HB LEU 27 -8.965 1.621 3.553 206 HG LEU 27 HG LEU 27 -11.859 1.878 2.732 207 HD11 LEU 27 1HD1 LEU 27 -10.121 -0.592 2.457 208 HD12 LEU 27 2HD1 LEU 27 -11.051 0.204 1.188 209 HD13 LEU 27 3HD1 LEU 27 -11.884 -0.635 2.496 210 HD21 LEU 27 3HD2 LEU 27 -12.137 0.335 4.662 211 HD22 LEU 27 1HD2 LEU 27 -11.276 1.800 5.131 212 HD23 LEU 27 2HD2 LEU 27 -10.387 0.301 4.874 213 H MET 28 H MET 28 -8.054 4.199 1.520 214 HA MET 28 HA MET 28 -5.872 4.430 3.360 215 HB2 MET 28 2HB MET 28 -6.320 5.521 0.575 216 HB3 MET 28 3HB MET 28 -4.795 5.705 1.442 217 HG2 MET 28 2HG MET 28 -4.642 3.243 1.674 218 HG3 MET 28 3HG MET 28 -6.152 3.074 0.780 219 HE1 MET 28 3HE MET 28 -2.390 2.834 0.368 220 HE2 MET 28 1HE MET 28 -2.691 4.491 0.910 221 HE3 MET 28 2HE MET 28 -1.997 4.193 -0.683 222 H THR 29 H THR 29 -8.113 6.840 2.006 223 HA THR 29 HA THR 29 -6.813 8.969 3.624 224 HB THR 29 HB THR 29 -7.468 9.426 1.259 225 HG1 THR 29 HG1 THR 29 -8.908 11.287 1.936 226 HG21 THR 29 3HG2 THR 29 -9.720 7.988 1.769 227 HG22 THR 29 1HG2 THR 29 -9.606 9.162 0.458 228 HG23 THR 29 2HG2 THR 29 -10.341 9.620 1.994 229 H ASP 30 H ASP 30 -7.800 7.166 5.300 230 HA ASP 30 HA ASP 30 -9.896 8.609 6.730 231 HB2 ASP 30 2HB ASP 30 -10.430 5.917 5.458 232 HB3 ASP 30 3HB ASP 30 -11.287 6.435 6.905 233 HA PRO 31 HA PRO 31 -6.518 6.533 9.211 234 HB2 PRO 31 2HB PRO 31 -7.509 8.685 11.050 235 HB3 PRO 31 3HB PRO 31 -5.841 8.197 10.685 236 HG2 PRO 31 2HG PRO 31 -6.855 10.412 9.645 237 HG3 PRO 31 3HG PRO 31 -5.803 9.358 8.681 238 HD2 PRO 31 2HD PRO 31 -8.784 9.678 8.545 239 HD3 PRO 31 3HD PRO 31 -7.622 9.378 7.232 240 H GLU 32 H GLU 32 -9.706 7.624 10.339 241 HA GLU 32 HA GLU 32 -9.817 5.797 12.565 242 HB2 GLU 32 2HB GLU 32 -11.155 7.914 12.326 243 HB3 GLU 32 3HB GLU 32 -12.128 7.097 11.105 244 HG2 GLU 32 2HG GLU 32 -13.291 6.889 13.202 245 HG3 GLU 32 3HG GLU 32 -12.615 5.305 12.825 246 H LYS 33 H LYS 33 -11.173 5.669 9.257 247 HA LYS 33 HA LYS 33 -12.563 3.195 9.647 248 HB2 LYS 33 2HB LYS 33 -12.810 4.903 7.729 249 HB3 LYS 33 3HB LYS 33 -11.428 4.089 6.994 250 HG2 LYS 33 2HG LYS 33 -12.630 1.962 7.019 251 HG3 LYS 33 3HG LYS 33 -13.985 2.709 7.864 252 HD2 LYS 33 2HD LYS 33 -14.336 4.232 5.948 253 HD3 LYS 33 3HD LYS 33 -13.007 3.448 5.091 254 HE2 LYS 33 2HE LYS 33 -14.205 1.304 5.156 255 HE3 LYS 33 3HE LYS 33 -15.521 2.054 6.059 256 HZ1 LYS 33 3HZ LYS 33 -15.709 1.822 3.513 257 HZ2 LYS 33 1HZ LYS 33 -14.684 3.172 3.468 258 HZ3 LYS 33 2HZ LYS 33 -16.190 3.277 4.246 259 H ILE 34 H ILE 34 -9.231 3.927 8.781 260 HA ILE 34 HA ILE 34 -8.492 1.329 7.860 261 HB ILE 34 HB ILE 34 -6.902 3.515 9.220 262 HG12 ILE 34 2HG1 ILE 34 -6.851 2.560 6.346 263 HG13 ILE 34 3HG1 ILE 34 -7.885 3.873 6.903 264 HG21 ILE 34 1HG2 ILE 34 -4.914 2.204 8.213 265 HG22 ILE 34 2HG2 ILE 34 -6.022 0.834 8.158 266 HG23 ILE 34 3HG2 ILE 34 -5.631 1.584 9.700 267 HD11 ILE 34 3HD1 ILE 34 -4.953 3.983 7.554 268 HD12 ILE 34 1HD1 ILE 34 -6.095 5.301 7.292 269 HD13 ILE 34 2HD1 ILE 34 -5.479 4.387 5.921 270 H LEU 35 H LEU 35 -8.481 2.756 11.112 271 HA LEU 35 HA LEU 35 -7.210 0.742 12.553 272 HB2 LEU 35 2HB LEU 35 -9.659 2.349 13.323 273 HB3 LEU 35 3HB LEU 35 -8.679 1.427 14.463 274 HG LEU 35 HG LEU 35 -7.613 3.644 12.683 275 HD11 LEU 35 1HD1 LEU 35 -8.066 3.772 15.669 276 HD12 LEU 35 2HD1 LEU 35 -9.275 4.324 14.510 277 HD13 LEU 35 3HD1 LEU 35 -7.691 5.098 14.568 278 HD21 LEU 35 3HD2 LEU 35 -5.725 2.380 13.200 279 HD22 LEU 35 1HD2 LEU 35 -6.390 1.805 14.730 280 HD23 LEU 35 2HD2 LEU 35 -5.768 3.449 14.597 281 H ARG 36 H ARG 36 -10.121 0.475 10.772 282 HA ARG 36 HA ARG 36 -11.401 -1.627 12.270 283 HB2 ARG 36 2HB ARG 36 -11.504 -0.855 9.346 284 HB3 ARG 36 3HB ARG 36 -12.494 -2.136 10.040 285 HG2 ARG 36 2HG ARG 36 -13.483 -0.564 11.617 286 HG3 ARG 36 3HG ARG 36 -12.451 0.728 11.009 287 HD2 ARG 36 2HD ARG 36 -13.492 0.591 8.814 288 HD3 ARG 36 3HD ARG 36 -14.464 -0.785 9.324 289 HE ARG 36 HE ARG 36 -15.058 1.987 9.864 290 HH11 ARG 36 1HH2 ARG 36 -15.171 -1.219 11.154 291 HH12 ARG 36 2HH2 ARG 36 -16.541 -0.901 12.165 292 HH21 ARG 36 1HH1 ARG 36 -16.840 2.402 11.173 293 HH22 ARG 36 2HH1 ARG 36 -17.485 1.146 12.174 294 H TRP 37 H TRP 37 -9.028 -1.606 9.631 295 HA TRP 37 HA TRP 37 -8.684 -4.564 9.982 296 HB2 TRP 37 2HB TRP 37 -7.793 -4.600 7.729 297 HB3 TRP 37 3HB TRP 37 -9.351 -3.786 7.714 298 HD1 TRP 37 HD1 TRP 37 -9.294 -1.064 7.627 299 HE1 TRP 37 HE1 TRP 37 -7.605 0.498 6.465 300 HE3 TRP 37 HE3 TRP 37 -5.370 -4.281 7.031 301 HZ2 TRP 37 HZ2 TRP 37 -4.949 0.403 5.424 302 HZ3 TRP 37 HZ3 TRP 37 -3.278 -3.519 5.947 303 HH2 TRP 37 HH2 TRP 37 -3.061 -1.182 5.142 304 H MET 38 H MET 38 -7.478 -3.323 11.945 305 HA MET 38 HA MET 38 -5.383 -3.331 12.994 306 HB2 MET 38 2HB MET 38 -4.787 -4.936 10.995 307 HB3 MET 38 3HB MET 38 -3.945 -3.528 10.352 308 HG2 MET 38 2HG MET 38 -2.676 -3.333 12.467 309 HG3 MET 38 3HG MET 38 -3.488 -4.776 13.073 310 HE1 MET 38 3HE MET 38 -0.402 -4.359 12.928 311 HE2 MET 38 1HE MET 38 0.155 -5.935 12.352 312 HE3 MET 38 2HE MET 38 -1.141 -5.837 13.541 313 H GLY 39 H GLY 39 -3.481 -1.877 13.163 314 HA2 GLY 39 2HA GLY 39 -2.584 0.219 11.770 315 HA3 GLY 39 3HA GLY 39 -4.186 0.829 12.193 316 H THR 40 H THR 40 -3.947 -0.866 14.743 317 HA THR 40 HA THR 40 -3.321 -0.511 16.968 318 HB THR 40 HB THR 40 -0.899 1.002 15.977 319 HG1 THR 40 HG1 THR 40 -0.379 -0.692 14.891 320 HG21 THR 40 3HG2 THR 40 -1.094 -1.062 18.169 321 HG22 THR 40 1HG2 THR 40 -1.521 0.625 18.460 322 HG23 THR 40 2HG2 THR 40 0.117 0.203 17.957 323 H GLU 41 H GLU 41 -2.028 2.412 15.374 324 HA GLU 41 HA GLU 41 -4.090 4.049 16.768 325 HB2 GLU 41 2HB GLU 41 -1.090 4.425 16.963 326 HB3 GLU 41 3HB GLU 41 -2.258 5.671 17.408 327 HG2 GLU 41 2HG GLU 41 -3.273 4.154 19.053 328 HG3 GLU 41 3HG GLU 41 -2.138 2.884 18.596 329 H ALA 42 H ALA 42 -4.527 6.030 15.707 330 HA ALA 42 HA ALA 42 -2.983 6.703 13.282 331 HB1 ALA 42 3HB ALA 42 -4.736 6.439 11.740 332 HB2 ALA 42 1HB ALA 42 -5.957 6.306 13.006 333 HB3 ALA 42 2HB ALA 42 -4.829 4.980 12.725 334 H GLU 43 H GLU 43 -3.367 8.857 12.573 335 HA GLU 43 HA GLU 43 -4.402 10.621 14.679 336 HB2 GLU 43 2HB GLU 43 -2.321 11.167 13.412 337 HB3 GLU 43 3HB GLU 43 -3.289 11.321 11.947 338 HG2 GLU 43 2HG GLU 43 -4.590 13.129 12.949 339 HG3 GLU 43 3HG GLU 43 -3.720 12.943 14.472 340 H VAL 44 H VAL 44 -6.217 11.901 14.522 341 HA VAL 44 HA VAL 44 -7.778 12.011 12.040 342 HB VAL 44 HB VAL 44 -8.416 9.847 13.285 343 HG11 VAL 44 1HG1 VAL 44 -8.356 11.007 15.556 344 HG12 VAL 44 2HG1 VAL 44 -9.786 10.024 15.243 345 HG13 VAL 44 3HG1 VAL 44 -9.878 11.779 15.106 346 HG21 VAL 44 3HG2 VAL 44 -10.587 11.920 12.846 347 HG22 VAL 44 1HG2 VAL 44 -10.790 10.170 12.806 348 HG23 VAL 44 2HG2 VAL 44 -9.828 10.973 11.565 349 H GLU 45 H GLU 45 -6.729 13.208 15.001 350 HA GLU 45 HA GLU 45 -8.890 15.241 15.170 351 HB2 GLU 45 2HB GLU 45 -6.580 15.142 17.096 352 HB3 GLU 45 3HB GLU 45 -8.264 15.588 17.386 353 HG2 GLU 45 2HG GLU 45 -8.832 13.137 16.872 354 HG3 GLU 45 3HG GLU 45 -7.101 12.824 17.021 355 HA PRO 46 HA PRO 46 -6.273 18.254 13.186 356 HB2 PRO 46 2HB PRO 46 -7.272 20.579 14.259 357 HB3 PRO 46 3HB PRO 46 -8.130 19.625 13.032 358 HG2 PRO 46 2HG PRO 46 -8.533 19.698 15.992 359 HG3 PRO 46 3HG PRO 46 -9.737 19.638 14.690 360 HD2 PRO 46 2HD PRO 46 -9.010 17.421 16.121 361 HD3 PRO 46 3HD PRO 46 -9.536 17.341 14.425 362 H GLU 47 H GLU 47 -4.575 19.824 13.611 363 HA GLU 47 HA GLU 47 -2.702 20.594 14.777 364 HB2 GLU 47 2HB GLU 47 -4.571 21.712 16.092 365 HB3 GLU 47 3HB GLU 47 -4.410 20.404 17.264 366 HG2 GLU 47 2HG GLU 47 -3.007 22.153 18.075 367 HG3 GLU 47 3HG GLU 47 -1.917 20.976 17.343 368 HA PRO 48 HA PRO 48 -1.666 16.185 15.828 369 HB2 PRO 48 2HB PRO 48 0.970 17.355 14.984 370 HB3 PRO 48 3HB PRO 48 0.251 15.784 14.568 371 HG2 PRO 48 2HG PRO 48 0.251 17.743 12.803 372 HG3 PRO 48 3HG PRO 48 -1.187 16.721 12.998 373 HD2 PRO 48 2HD PRO 48 -0.724 19.520 13.989 374 HD3 PRO 48 3HD PRO 48 -2.203 18.791 13.322 375 H GLY 49 H GLY 49 -0.866 15.442 17.757 376 HA2 GLY 49 2HA GLY 49 1.174 16.010 19.375 377 HA3 GLY 49 3HA GLY 49 0.185 17.442 19.684 378 H GLY 50 H GLY 50 -2.113 15.343 19.012 379 HA2 GLY 50 2HA GLY 50 -2.790 14.855 21.798 380 HA3 GLY 50 3HA GLY 50 -3.723 14.327 20.397 381 H LEU 51 H LEU 51 -2.743 12.459 19.158 382 HA LEU 51 HA LEU 51 -2.081 10.323 21.026 383 HB2 LEU 51 2HB LEU 51 -2.215 10.360 17.994 384 HB3 LEU 51 3HB LEU 51 -2.092 8.907 18.983 385 HG LEU 51 HG LEU 51 -4.347 10.927 19.201 386 HD11 LEU 51 1HD1 LEU 51 -4.602 9.928 17.058 387 HD12 LEU 51 2HD1 LEU 51 -5.672 9.013 18.119 388 HD13 LEU 51 3HD1 LEU 51 -4.110 8.342 17.650 389 HD21 LEU 51 3HD2 LEU 51 -4.300 9.775 21.249 390 HD22 LEU 51 1HD2 LEU 51 -3.729 8.278 20.513 391 HD23 LEU 51 2HD2 LEU 51 -5.406 8.784 20.306 392 H TYR 52 H TYR 52 -0.260 12.681 19.521 393 HA TYR 52 HA TYR 52 2.039 12.941 19.129 394 HB2 TYR 52 2HB TYR 52 2.152 12.385 21.527 395 HB3 TYR 52 3HB TYR 52 2.174 10.667 21.133 396 HD1 TYR 52 HD2 TYR 52 4.006 13.854 20.418 397 HD2 TYR 52 HD1 TYR 52 4.232 9.578 20.769 398 HE1 TYR 52 HE2 TYR 52 6.465 13.960 20.124 399 HE2 TYR 52 HE1 TYR 52 6.693 9.685 20.476 400 HH TYR 52 HH TYR 52 8.290 12.024 19.187 401 H LEU 53 H LEU 53 2.184 9.458 19.756 402 HA LEU 53 HA LEU 53 3.419 9.107 17.086 403 HB2 LEU 53 2HB LEU 53 4.595 8.110 18.971 404 HB3 LEU 53 3HB LEU 53 3.143 7.237 19.459 405 HG LEU 53 HG LEU 53 3.186 5.924 17.398 406 HD11 LEU 53 1HD1 LEU 53 5.376 7.864 16.671 407 HD12 LEU 53 2HD1 LEU 53 4.005 7.322 15.704 408 HD13 LEU 53 3HD1 LEU 53 5.374 6.245 15.970 409 HD21 LEU 53 3HD2 LEU 53 4.533 5.112 19.284 410 HD22 LEU 53 1HD2 LEU 53 5.908 6.067 18.730 411 HD23 LEU 53 2HD2 LEU 53 5.322 4.720 17.755 412 H VAL 54 H VAL 54 2.308 8.280 15.420 413 HA VAL 54 HA VAL 54 -0.154 6.662 15.957 414 HB VAL 54 HB VAL 54 -1.056 7.834 13.834 415 HG11 VAL 54 1HG1 VAL 54 -1.844 9.787 15.222 416 HG12 VAL 54 2HG1 VAL 54 -0.719 9.273 16.477 417 HG13 VAL 54 3HG1 VAL 54 -2.050 8.220 16.003 418 HG21 VAL 54 3HG2 VAL 54 0.864 9.999 14.708 419 HG22 VAL 54 1HG2 VAL 54 -0.146 9.956 13.264 420 HG23 VAL 54 2HG2 VAL 54 1.247 8.885 13.395 421 H ASN 55 H ASN 55 -0.377 4.904 14.690 422 HA ASN 55 HA ASN 55 0.113 3.249 13.135 423 HB2 ASN 55 2HB ASN 55 -0.198 5.246 11.565 424 HB3 ASN 55 3HB ASN 55 1.561 5.353 11.515 425 HD21 ASN 55 1HD2 ASN 55 -0.151 4.633 9.235 426 HD22 ASN 55 2HD2 ASN 55 0.278 3.054 8.782 427 H VAL 56 H VAL 56 1.587 1.702 13.404 428 HA VAL 56 HA VAL 56 4.106 2.142 14.682 429 HB VAL 56 HB VAL 56 2.872 -0.014 14.757 430 HG11 VAL 56 1HG1 VAL 56 2.732 -1.451 12.859 431 HG12 VAL 56 2HG1 VAL 56 3.852 -0.456 11.930 432 HG13 VAL 56 3HG1 VAL 56 2.229 0.137 12.281 433 HG21 VAL 56 3HG2 VAL 56 4.825 -1.465 14.493 434 HG22 VAL 56 1HG2 VAL 56 5.324 0.076 15.191 435 HG23 VAL 56 2HG2 VAL 56 5.616 -0.256 13.484 436 H THR 57 H THR 57 3.226 1.600 11.278 437 HA THR 57 HA THR 57 6.007 2.445 10.509 438 HB THR 57 HB THR 57 4.131 0.553 9.066 439 HG1 THR 57 HG1 THR 57 5.116 -0.834 10.275 440 HG21 THR 57 3HG2 THR 57 5.349 1.791 7.423 441 HG22 THR 57 1HG2 THR 57 6.200 0.257 7.605 442 HG23 THR 57 2HG2 THR 57 6.834 1.713 8.370 443 H GLY 58 H GLY 58 6.094 4.283 9.355 444 HA2 GLY 58 2HA GLY 58 4.384 5.029 7.250 445 HA3 GLY 58 3HA GLY 58 3.731 5.778 8.708 446 H ALA 59 H ALA 59 4.428 7.667 7.123 447 HA ALA 59 HA ALA 59 7.266 8.435 7.701 448 HB1 ALA 59 3HB ALA 59 6.420 8.246 5.278 449 HB2 ALA 59 1HB ALA 59 7.241 9.740 5.727 450 HB3 ALA 59 2HB ALA 59 5.482 9.698 5.625 451 H ARG 60 H ARG 60 7.578 10.029 9.103 452 HA ARG 60 HA ARG 60 7.003 11.588 10.770 453 HB2 ARG 60 2HB ARG 60 5.975 12.841 8.212 454 HB3 ARG 60 3HB ARG 60 6.134 13.716 9.734 455 HG2 ARG 60 2HG ARG 60 8.540 13.178 9.805 456 HG3 ARG 60 3HG ARG 60 8.391 12.293 8.287 457 HD2 ARG 60 2HD ARG 60 7.658 14.367 7.154 458 HD3 ARG 60 3HD ARG 60 7.831 15.251 8.671 459 HE ARG 60 HE ARG 60 10.283 13.881 7.932 460 HH11 ARG 60 1HH2 ARG 60 8.297 16.657 7.396 461 HH12 ARG 60 2HH2 ARG 60 9.615 17.663 6.894 462 HH21 ARG 60 1HH1 ARG 60 12.006 15.185 7.276 463 HH22 ARG 60 2HH1 ARG 60 11.709 16.831 6.828 464 H PHE 61 H PHE 61 5.467 10.290 11.923 465 HA PHE 61 HA PHE 61 3.376 9.848 12.874 466 HB2 PHE 61 2HB PHE 61 2.642 12.555 11.719 467 HB3 PHE 61 3HB PHE 61 1.880 11.737 13.085 468 HD1 PHE 61 HD2 PHE 61 3.388 11.140 15.107 469 HD2 PHE 61 HD1 PHE 61 4.478 13.996 12.086 470 HE1 PHE 61 HE2 PHE 61 5.055 12.138 16.649 471 HE2 PHE 61 HE1 PHE 61 6.145 14.990 13.629 472 HZ PHE 61 HZ PHE 61 6.433 14.063 15.910 473 H ALA 62 H ALA 62 3.958 9.542 9.805 474 HA ALA 62 HA ALA 62 2.815 8.584 8.005 475 HB1 ALA 62 3HB ALA 62 0.432 8.202 9.821 476 HB2 ALA 62 1HB ALA 62 1.878 7.208 9.992 477 HB3 ALA 62 2HB ALA 62 0.970 7.191 8.481 478 H ARG 63 H ARG 63 2.063 11.436 9.357 479 HA ARG 63 HA ARG 63 0.156 12.131 7.162 480 HB2 ARG 63 2HB ARG 63 -1.130 11.804 9.290 481 HB3 ARG 63 3HB ARG 63 -0.127 13.042 10.045 482 HG2 ARG 63 2HG ARG 63 -0.882 14.682 8.352 483 HG3 ARG 63 3HG ARG 63 -1.906 13.446 7.619 484 HD2 ARG 63 2HD ARG 63 -3.083 13.202 9.828 485 HD3 ARG 63 3HD ARG 63 -2.144 14.572 10.426 486 HE ARG 63 HE ARG 63 -3.420 15.344 7.995 487 HH11 ARG 63 1HH2 ARG 63 -4.117 14.481 11.268 488 HH12 ARG 63 2HH2 ARG 63 -5.544 15.458 11.354 489 HH21 ARG 63 1HH1 ARG 63 -5.275 16.619 8.102 490 HH22 ARG 63 2HH1 ARG 63 -6.198 16.669 9.566 491 H GLY 64 H GLY 64 2.689 12.989 9.403 492 HA2 GLY 64 2HA GLY 64 2.838 15.786 8.641 493 HA3 GLY 64 3HA GLY 64 4.060 14.897 9.548 494 H SER 65 H SER 65 2.888 13.759 6.446 495 HA SER 65 HA SER 65 5.442 14.655 5.153 496 HB2 SER 65 2HB SER 65 4.204 11.893 5.123 497 HB3 SER 65 3HB SER 65 5.430 12.412 3.972 498 HG SER 65 HG SER 65 6.621 13.044 5.989 499 H PHE 66 H PHE 66 5.286 15.036 2.927 500 HA PHE 66 HA PHE 66 2.833 14.536 1.454 501 HB2 PHE 66 2HB PHE 66 1.999 16.449 2.653 502 HB3 PHE 66 3HB PHE 66 3.489 17.348 2.375 503 HD1 PHE 66 HD2 PHE 66 0.484 15.916 0.735 504 HD2 PHE 66 HD1 PHE 66 3.877 18.515 0.320 505 HE1 PHE 66 HE2 PHE 66 -0.441 16.788 -1.390 506 HE2 PHE 66 HE1 PHE 66 2.951 19.385 -1.811 507 HZ PHE 66 HZ PHE 66 0.790 18.518 -2.665 508 H ARG 67 H ARG 67 4.095 13.690 -0.174 509 HA ARG 67 HA ARG 67 6.211 15.437 -1.376 510 HB2 ARG 67 2HB ARG 67 6.896 13.149 -0.648 511 HB3 ARG 67 3HB ARG 67 5.708 12.472 -1.762 512 HG2 ARG 67 2HG ARG 67 6.839 13.600 -3.649 513 HG3 ARG 67 3HG ARG 67 8.038 14.248 -2.531 514 HD2 ARG 67 2HD ARG 67 8.724 11.967 -1.930 515 HD3 ARG 67 3HD ARG 67 7.501 11.304 -3.008 516 HE ARG 67 HE ARG 67 8.837 11.938 -4.877 517 HH11 ARG 67 1HH2 ARG 67 10.089 13.095 -1.865 518 HH12 ARG 67 2HH2 ARG 67 11.609 13.570 -2.540 519 HH21 ARG 67 1HH1 ARG 67 10.806 12.563 -5.756 520 HH22 ARG 67 2HH1 ARG 67 12.015 13.272 -4.739 521 H GLU 68 H GLU 68 3.381 13.414 -2.135 522 HA GLU 68 HA GLU 68 2.650 15.209 -4.309 523 HB2 GLU 68 2HB GLU 68 4.470 13.787 -5.338 524 HB3 GLU 68 3HB GLU 68 3.437 12.383 -5.074 525 HG2 GLU 68 2HG GLU 68 3.037 13.106 -7.329 526 HG3 GLU 68 3HG GLU 68 1.631 13.609 -6.389 527 H VAL 69 H VAL 69 0.463 15.160 -4.430 528 HA VAL 69 HA VAL 69 -0.965 12.660 -3.575 529 HB VAL 69 HB VAL 69 -1.636 15.547 -2.945 530 HG11 VAL 69 1HG1 VAL 69 -3.280 13.018 -2.727 531 HG12 VAL 69 2HG1 VAL 69 -3.726 14.541 -3.497 532 HG13 VAL 69 3HG1 VAL 69 -3.616 14.441 -1.740 533 HG21 VAL 69 3HG2 VAL 69 -1.216 13.138 -1.151 534 HG22 VAL 69 1HG2 VAL 69 -1.440 14.809 -0.634 535 HG23 VAL 69 2HG2 VAL 69 0.027 14.341 -1.494 536 H VAL 70 H VAL 70 -2.360 11.937 -5.053 537 HA VAL 70 HA VAL 70 -3.344 13.820 -7.152 538 HB VAL 70 HB VAL 70 -2.649 10.930 -7.677 539 HG11 VAL 70 1HG1 VAL 70 -2.951 13.323 -9.520 540 HG12 VAL 70 2HG1 VAL 70 -4.248 12.176 -9.188 541 HG13 VAL 70 3HG1 VAL 70 -2.780 11.636 -10.000 542 HG21 VAL 70 3HG2 VAL 70 -0.607 11.964 -8.818 543 HG22 VAL 70 1HG2 VAL 70 -0.568 11.949 -7.054 544 HG23 VAL 70 2HG2 VAL 70 -0.965 13.436 -7.916 545 HA PRO 71 HA PRO 71 -7.307 12.535 -5.409 546 HB2 PRO 71 2HB PRO 71 -8.115 12.764 -8.298 547 HB3 PRO 71 3HB PRO 71 -8.937 13.378 -6.847 548 HG2 PRO 71 2HG PRO 71 -7.487 14.978 -8.434 549 HG3 PRO 71 3HG PRO 71 -7.564 15.214 -6.680 550 HD2 PRO 71 2HD PRO 71 -5.300 14.233 -8.330 551 HD3 PRO 71 3HD PRO 71 -5.282 14.956 -6.704 552 H VAL 72 H VAL 72 -7.296 10.391 -4.881 553 HA VAL 72 HA VAL 72 -7.021 8.052 -5.187 554 HB VAL 72 HB VAL 72 -9.381 8.304 -5.121 555 HG11 VAL 72 1HG1 VAL 72 -9.166 9.223 -8.000 556 HG12 VAL 72 2HG1 VAL 72 -9.695 10.168 -6.608 557 HG13 VAL 72 3HG1 VAL 72 -10.692 8.844 -7.202 558 HG21 VAL 72 3HG2 VAL 72 -9.296 6.742 -7.674 559 HG22 VAL 72 1HG2 VAL 72 -9.973 6.304 -6.109 560 HG23 VAL 72 2HG2 VAL 72 -8.239 6.178 -6.381 561 H HIS 73 H HIS 73 -4.950 8.474 -6.467 562 HA HIS 73 HA HIS 73 -5.090 6.925 -8.939 563 HB2 HIS 73 2HB HIS 73 -5.659 9.177 -9.774 564 HB3 HIS 73 3HB HIS 73 -4.199 9.825 -9.026 565 HD1 HIS 73 HD1 HIS 73 -5.227 7.275 -11.653 566 HD2 HIS 73 HD2 HIS 73 -1.908 9.560 -10.590 567 HE1 HIS 73 HE1 HIS 73 -3.507 6.934 -13.480 568 H ARG 74 H ARG 74 -3.025 9.181 -7.071 569 HA ARG 74 HA ARG 74 -1.022 7.040 -6.776 570 HB2 ARG 74 2HB ARG 74 -0.437 8.054 -8.953 571 HB3 ARG 74 3HB ARG 74 -0.332 9.638 -8.181 572 HG2 ARG 74 2HG ARG 74 1.493 8.881 -6.759 573 HG3 ARG 74 3HG ARG 74 1.330 7.236 -7.368 574 HD2 ARG 74 2HD ARG 74 1.999 9.622 -9.113 575 HD3 ARG 74 3HD ARG 74 3.205 8.529 -8.436 576 HE ARG 74 HE ARG 74 1.334 6.907 -9.777 577 HH11 ARG 74 1HH2 ARG 74 3.547 9.469 -10.464 578 HH12 ARG 74 2HH2 ARG 74 3.868 8.928 -12.079 579 HH21 ARG 74 1HH1 ARG 74 1.747 6.197 -11.874 580 HH22 ARG 74 2HH1 ARG 74 2.849 7.078 -12.876 581 H LEU 75 H LEU 75 -0.032 7.211 -4.842 582 HA LEU 75 HA LEU 75 -0.041 9.859 -3.431 583 HB2 LEU 75 2HB LEU 75 -0.562 7.126 -2.216 584 HB3 LEU 75 3HB LEU 75 -0.483 8.648 -1.329 585 HG LEU 75 HG LEU 75 -2.460 8.060 -3.553 586 HD11 LEU 75 1HD1 LEU 75 -2.765 7.999 -0.536 587 HD12 LEU 75 2HD1 LEU 75 -2.959 6.644 -1.649 588 HD13 LEU 75 3HD1 LEU 75 -4.118 7.975 -1.667 589 HD21 LEU 75 3HD2 LEU 75 -2.257 10.406 -3.458 590 HD22 LEU 75 1HD2 LEU 75 -1.966 10.409 -1.719 591 HD23 LEU 75 2HD2 LEU 75 -3.583 10.102 -2.344 592 H ALA 76 H ALA 76 1.863 10.360 -2.416 593 HA ALA 76 HA ALA 76 3.909 8.254 -2.028 594 HB1 ALA 76 3HB ALA 76 4.275 9.130 -4.340 595 HB2 ALA 76 1HB ALA 76 5.621 9.490 -3.258 596 HB3 ALA 76 2HB ALA 76 4.457 10.750 -3.665 597 H TYR 77 H TYR 77 4.972 8.632 -0.163 598 HA TYR 77 HA TYR 77 4.898 11.399 1.001 599 HB2 TYR 77 2HB TYR 77 4.599 8.727 2.411 600 HB3 TYR 77 3HB TYR 77 4.752 10.283 3.228 601 HD1 TYR 77 HD1 TYR 77 2.996 12.032 2.941 602 HD2 TYR 77 HD2 TYR 77 2.538 8.065 1.352 603 HE1 TYR 77 HE1 TYR 77 0.564 12.424 2.660 604 HE2 TYR 77 HE2 TYR 77 0.105 8.458 1.072 605 HH TYR 77 HH TYR 77 -1.438 10.342 0.837 606 H SER 78 H SER 78 6.861 12.187 1.472 607 HA SER 78 HA SER 78 9.234 10.495 1.094 608 HB2 SER 78 2HB SER 78 10.424 12.695 1.588 609 HB3 SER 78 3HB SER 78 9.387 12.692 0.168 610 HG SER 78 HG SER 78 7.769 13.661 1.428 611 H PHE 79 H PHE 79 11.068 11.001 2.776 612 HA PHE 79 HA PHE 79 11.883 10.715 4.943 613 HB2 PHE 79 2HB PHE 79 9.214 11.693 5.972 614 HB3 PHE 79 3HB PHE 79 10.798 11.843 6.723 615 HD1 PHE 79 HD2 PHE 79 12.575 13.266 5.540 616 HD2 PHE 79 HD1 PHE 79 8.406 13.384 4.518 617 HE1 PHE 79 HE2 PHE 79 12.916 15.448 4.420 618 HE2 PHE 79 HE1 PHE 79 8.745 15.570 3.399 619 HZ PHE 79 HZ PHE 79 11.000 16.603 3.349 620 H GLY 80 H GLY 80 11.546 9.361 6.907 621 HA2 GLY 80 2HA GLY 80 9.289 7.583 7.105 622 HA3 GLY 80 3HA GLY 80 10.641 6.777 6.323 623 H TRP 81 H TRP 81 9.288 7.604 9.312 624 HA TRP 81 HA TRP 81 11.885 7.182 10.753 625 HB2 TRP 81 2HB TRP 81 10.553 9.275 11.233 626 HB3 TRP 81 3HB TRP 81 9.281 8.238 11.880 627 HD1 TRP 81 HD1 TRP 81 12.830 9.431 12.569 628 HE1 TRP 81 HE1 TRP 81 13.457 8.839 14.997 629 HE3 TRP 81 HE3 TRP 81 8.793 6.581 13.851 630 HZ2 TRP 81 HZ2 TRP 81 12.389 7.350 17.194 631 HZ3 TRP 81 HZ3 TRP 81 8.623 5.587 16.115 632 HH2 TRP 81 HH2 TRP 81 10.415 5.968 17.787 633 H ASP 82 H ASP 82 12.088 5.442 12.126 634 HA ASP 82 HA ASP 82 9.720 3.845 12.874 635 HB2 ASP 82 2HB ASP 82 11.924 2.808 11.077 636 HB3 ASP 82 3HB ASP 82 10.879 1.739 12.010 637 H GLY 83 H GLY 83 11.004 1.599 13.798 638 HA2 GLY 83 2HA GLY 83 12.107 2.488 16.279 639 HA3 GLY 83 3HA GLY 83 12.091 0.823 15.711 640 H SER 84 H SER 84 14.222 1.981 17.151 641 HA SER 84 HA SER 84 16.555 2.020 17.120 642 HB2 SER 84 2HB SER 84 17.624 0.601 15.617 643 HB3 SER 84 3HB SER 84 15.975 -0.004 15.501 644 HG SER 84 HG SER 84 16.617 0.354 13.438 645 H GLU 85 H GLU 85 14.603 3.825 15.122 646 HA GLU 85 HA GLU 85 14.937 5.754 13.829 647 HB2 GLU 85 2HB GLU 85 17.080 6.034 15.959 648 HB3 GLU 85 3HB GLU 85 16.595 7.336 14.869 649 HG2 GLU 85 2HG GLU 85 14.287 7.198 15.691 650 HG3 GLU 85 3HG GLU 85 14.729 5.857 16.747 651 H VAL 86 H VAL 86 16.471 3.275 13.100 652 HA VAL 86 HA VAL 86 19.043 4.155 12.094 653 HB VAL 86 HB VAL 86 18.467 1.768 12.623 654 HG11 VAL 86 1HG1 VAL 86 17.032 1.678 9.974 655 HG12 VAL 86 2HG1 VAL 86 16.151 2.046 11.456 656 HG13 VAL 86 3HG1 VAL 86 16.999 0.509 11.293 657 HG21 VAL 86 3HG2 VAL 86 19.826 0.870 10.918 658 HG22 VAL 86 1HG2 VAL 86 20.302 2.566 10.956 659 HG23 VAL 86 2HG2 VAL 86 19.207 1.985 9.701 660 H VAL 87 H VAL 87 16.065 5.134 11.246 661 HA VAL 87 HA VAL 87 16.873 5.616 8.398 662 HB VAL 87 HB VAL 87 14.046 5.053 9.338 663 HG11 VAL 87 1HG1 VAL 87 14.281 6.495 7.333 664 HG12 VAL 87 2HG1 VAL 87 13.576 4.929 6.932 665 HG13 VAL 87 3HG1 VAL 87 15.273 5.251 6.572 666 HG21 VAL 87 3HG2 VAL 87 14.453 2.920 7.917 667 HG22 VAL 87 1HG2 VAL 87 15.144 2.966 9.537 668 HG23 VAL 87 2HG2 VAL 87 16.168 3.268 8.133 669 HA PRO 88 HA PRO 88 15.990 9.546 10.768 670 HB2 PRO 88 2HB PRO 88 18.151 10.536 8.968 671 HB3 PRO 88 3HB PRO 88 17.985 10.712 10.726 672 HG2 PRO 88 2HG PRO 88 19.781 9.046 9.596 673 HG3 PRO 88 3HG PRO 88 19.014 8.711 11.160 674 HD2 PRO 88 2HD PRO 88 18.464 7.476 8.490 675 HD3 PRO 88 3HD PRO 88 18.351 6.764 10.110 676 HA PRO 89 HA PRO 89 13.733 11.774 7.670 677 HB2 PRO 89 2HB PRO 89 15.566 14.133 7.647 678 HB3 PRO 89 3HB PRO 89 13.838 14.053 8.048 679 HG2 PRO 89 2HG PRO 89 15.662 14.385 9.950 680 HG3 PRO 89 3HG PRO 89 14.242 13.356 10.220 681 HD2 PRO 89 2HD PRO 89 17.068 12.532 9.580 682 HD3 PRO 89 3HD PRO 89 15.926 11.828 10.750 683 H GLY 90 H GLY 90 13.593 11.836 5.444 684 HA2 GLY 90 2HA GLY 90 14.256 11.676 3.205 685 HA3 GLY 90 3HA GLY 90 15.695 12.589 3.663 686 H SER 91 H SER 91 15.595 9.993 5.681 687 HA SER 91 HA SER 91 17.766 8.648 4.276 688 HB2 SER 91 2HB SER 91 16.295 7.612 6.702 689 HB3 SER 91 3HB SER 91 17.960 7.297 6.222 690 HG SER 91 HG SER 91 17.486 8.963 7.927 691 H SER 92 H SER 92 14.411 8.499 4.071 692 HA SER 92 HA SER 92 14.587 6.012 2.501 693 HB2 SER 92 2HB SER 92 12.534 5.097 3.673 694 HB3 SER 92 3HB SER 92 14.015 5.047 4.619 695 HG SER 92 HG SER 92 12.190 5.899 5.763 696 H LEU 93 H LEU 93 12.636 5.686 1.193 697 HA LEU 93 HA LEU 93 10.933 8.122 0.921 698 HB2 LEU 93 2HB LEU 93 12.701 8.383 -0.734 699 HB3 LEU 93 3HB LEU 93 12.461 6.733 -1.303 700 HG LEU 93 HG LEU 93 10.236 7.281 -2.114 701 HD11 LEU 93 1HD1 LEU 93 10.756 9.887 -0.686 702 HD12 LEU 93 2HD1 LEU 93 9.338 8.842 -0.599 703 HD13 LEU 93 3HD1 LEU 93 9.622 9.820 -2.035 704 HD21 LEU 93 3HD2 LEU 93 10.857 9.068 -3.788 705 HD22 LEU 93 1HD2 LEU 93 12.015 7.742 -3.678 706 HD23 LEU 93 2HD2 LEU 93 12.364 9.287 -2.900 707 H VAL 94 H VAL 94 8.851 7.551 0.865 708 HA VAL 94 HA VAL 94 8.149 4.719 0.187 709 HB VAL 94 HB VAL 94 6.518 6.774 1.699 710 HG11 VAL 94 1HG1 VAL 94 6.266 3.789 1.233 711 HG12 VAL 94 2HG1 VAL 94 5.136 5.047 0.730 712 HG13 VAL 94 3HG1 VAL 94 5.326 4.667 2.440 713 HG21 VAL 94 3HG2 VAL 94 8.493 6.318 2.998 714 HG22 VAL 94 1HG2 VAL 94 8.401 4.593 2.637 715 HG23 VAL 94 2HG2 VAL 94 7.195 5.340 3.687 716 H GLU 95 H GLU 95 6.934 4.350 -1.592 717 HA GLU 95 HA GLU 95 5.382 6.606 -2.791 718 HB2 GLU 95 2HB GLU 95 7.376 4.811 -4.195 719 HB3 GLU 95 3HB GLU 95 6.161 5.758 -5.056 720 HG2 GLU 95 2HG GLU 95 7.046 7.825 -4.114 721 HG3 GLU 95 3HG GLU 95 8.194 6.918 -3.135 722 H ILE 96 H ILE 96 3.403 5.983 -3.477 723 HA ILE 96 HA ILE 96 2.831 3.056 -3.759 724 HB ILE 96 HB ILE 96 1.151 5.131 -2.318 725 HG12 ILE 96 2HG1 ILE 96 2.372 2.546 -1.308 726 HG13 ILE 96 3HG1 ILE 96 3.140 4.121 -1.110 727 HG21 ILE 96 1HG2 ILE 96 -0.348 3.698 -3.514 728 HG22 ILE 96 2HG2 ILE 96 -0.299 3.079 -1.865 729 HG23 ILE 96 3HG2 ILE 96 0.612 2.268 -3.138 730 HD11 ILE 96 3HD1 ILE 96 1.185 4.941 0.128 731 HD12 ILE 96 1HD1 ILE 96 1.827 3.487 0.893 732 HD13 ILE 96 2HD1 ILE 96 0.375 3.391 -0.103 733 H ASP 97 H ASP 97 1.824 2.606 -5.641 734 HA ASP 97 HA ASP 97 0.546 4.868 -7.154 735 HB2 ASP 97 2HB ASP 97 2.147 2.497 -8.149 736 HB3 ASP 97 3HB ASP 97 1.197 3.545 -9.204 737 H LEU 98 H LEU 98 -1.444 4.471 -8.059 738 HA LEU 98 HA LEU 98 -2.767 1.893 -7.304 739 HB2 LEU 98 2HB LEU 98 -4.014 4.523 -8.164 740 HB3 LEU 98 3HB LEU 98 -4.859 3.124 -7.499 741 HG LEU 98 HG LEU 98 -2.775 4.795 -6.058 742 HD11 LEU 98 1HD1 LEU 98 -5.110 5.772 -6.420 743 HD12 LEU 98 2HD1 LEU 98 -4.570 5.654 -4.745 744 HD13 LEU 98 3HD1 LEU 98 -5.706 4.468 -5.391 745 HD21 LEU 98 3HD2 LEU 98 -3.734 3.354 -4.083 746 HD22 LEU 98 1HD2 LEU 98 -2.519 2.647 -5.143 747 HD23 LEU 98 2HD2 LEU 98 -4.223 2.242 -5.358 748 H ILE 99 H ILE 99 -3.211 0.486 -8.913 749 HA ILE 99 HA ILE 99 -3.029 1.471 -11.744 750 HB ILE 99 HB ILE 99 -2.745 -1.350 -10.703 751 HG12 ILE 99 2HG1 ILE 99 -0.939 -0.050 -9.762 752 HG13 ILE 99 3HG1 ILE 99 -0.291 -0.978 -11.112 753 HG21 ILE 99 1HG2 ILE 99 -3.387 -1.122 -13.082 754 HG22 ILE 99 2HG2 ILE 99 -1.751 -1.762 -12.914 755 HG23 ILE 99 3HG2 ILE 99 -1.996 -0.069 -13.343 756 HD11 ILE 99 3HD1 ILE 99 -0.893 1.967 -10.963 757 HD12 ILE 99 1HD1 ILE 99 -0.827 1.153 -12.524 758 HD13 ILE 99 2HD1 ILE 99 0.585 1.167 -11.477 759 H GLU 100 H GLU 100 -4.850 1.517 -12.859 760 HA GLU 100 HA GLU 100 -7.347 0.556 -11.760 761 HB2 GLU 100 2HB GLU 100 -6.594 1.702 -14.460 762 HB3 GLU 100 3HB GLU 100 -8.248 1.284 -14.012 763 HG2 GLU 100 2HG GLU 100 -8.160 2.838 -12.121 764 HG3 GLU 100 3HG GLU 100 -6.475 3.216 -12.486 765 H GLN 101 H GLN 101 -8.440 -1.310 -12.233 766 HA GLN 101 HA GLN 101 -7.578 -2.985 -14.513 767 HB2 GLN 101 2HB GLN 101 -6.131 -3.692 -12.617 768 HB3 GLN 101 3HB GLN 101 -7.576 -4.034 -11.665 769 HG2 GLN 101 2HG GLN 101 -8.300 -5.694 -13.329 770 HG3 GLN 101 3HG GLN 101 -6.888 -5.332 -14.319 771 HE21 GLN 101 1HE2 GLN 101 -5.227 -6.801 -14.013 772 HE22 GLN 101 2HE2 GLN 101 -4.920 -7.646 -12.573 773 H GLY 102 H GLY 102 -9.166 -4.585 -15.055 774 HA2 GLY 102 2HA GLY 102 -11.883 -3.789 -14.287 775 HA3 GLY 102 3HA GLY 102 -11.457 -4.964 -15.527 776 H GLY 103 H GLY 103 -13.229 -4.892 -12.949 777 HA2 GLY 103 2HA GLY 103 -14.089 -6.677 -11.665 778 HA3 GLY 103 3HA GLY 103 -12.813 -7.713 -12.308 779 H GLY 104 H GLY 104 -11.600 -4.778 -11.119 780 HA2 GLY 104 2HA GLY 104 -11.462 -4.933 -8.388 781 HA3 GLY 104 3HA GLY 104 -10.306 -6.167 -8.890 782 H THR 105 H THR 105 -9.130 -4.256 -7.527 783 HA THR 105 HA THR 105 -7.835 -2.484 -9.576 784 HB THR 105 HB THR 105 -8.456 -1.834 -6.679 785 HG1 THR 105 HG1 THR 105 -10.142 -0.907 -7.487 786 HG21 THR 105 3HG2 THR 105 -7.557 0.439 -7.411 787 HG22 THR 105 1HG2 THR 105 -6.908 -0.380 -8.833 788 HG23 THR 105 2HG2 THR 105 -6.352 -0.836 -7.222 789 H LEU 106 H LEU 106 -5.685 -2.712 -9.697 790 HA LEU 106 HA LEU 106 -4.329 -4.467 -7.712 791 HB2 LEU 106 2HB LEU 106 -4.015 -5.078 -10.041 792 HB3 LEU 106 3HB LEU 106 -3.518 -3.448 -10.451 793 HG LEU 106 HG LEU 106 -1.547 -3.720 -8.891 794 HD11 LEU 106 1HD1 LEU 106 -2.762 -6.475 -8.673 795 HD12 LEU 106 2HD1 LEU 106 -2.202 -5.408 -7.385 796 HD13 LEU 106 3HD1 LEU 106 -1.037 -6.219 -8.428 797 HD21 LEU 106 3HD2 LEU 106 -1.890 -5.638 -11.205 798 HD22 LEU 106 1HD2 LEU 106 -0.343 -5.332 -10.414 799 HD23 LEU 106 2HD2 LEU 106 -1.182 -4.021 -11.244 800 H LEU 107 H LEU 107 -2.961 -3.616 -6.239 801 HA LEU 107 HA LEU 107 -2.206 -0.725 -6.512 802 HB2 LEU 107 2HB LEU 107 -3.653 -1.188 -4.611 803 HB3 LEU 107 3HB LEU 107 -2.565 -2.454 -4.050 804 HG LEU 107 HG LEU 107 -1.252 0.189 -4.494 805 HD11 LEU 107 1HD1 LEU 107 -3.432 0.913 -3.577 806 HD12 LEU 107 2HD1 LEU 107 -2.116 1.191 -2.435 807 HD13 LEU 107 3HD1 LEU 107 -3.209 -0.174 -2.208 808 HD21 LEU 107 3HD2 LEU 107 -1.244 -1.456 -1.960 809 HD22 LEU 107 1HD2 LEU 107 0.037 -0.446 -2.631 810 HD23 LEU 107 2HD2 LEU 107 -0.344 -1.998 -3.375 811 H ARG 108 H ARG 108 -0.098 -0.257 -6.678 812 HA ARG 108 HA ARG 108 1.893 -2.448 -6.273 813 HB2 ARG 108 2HB ARG 108 2.035 0.141 -7.832 814 HB3 ARG 108 3HB ARG 108 3.389 -0.974 -7.634 815 HG2 ARG 108 2HG ARG 108 1.884 -2.788 -8.587 816 HG3 ARG 108 3HG ARG 108 0.745 -1.507 -9.005 817 HD2 ARG 108 2HD ARG 108 3.637 -1.613 -9.914 818 HD3 ARG 108 3HD ARG 108 2.252 -2.078 -10.900 819 HE ARG 108 HE ARG 108 1.720 0.532 -10.019 820 HH11 ARG 108 1HH2 ARG 108 4.119 -1.161 -11.834 821 HH12 ARG 108 2HH2 ARG 108 4.514 0.201 -12.828 822 HH21 ARG 108 1HH1 ARG 108 2.223 2.312 -11.309 823 HH22 ARG 108 2HH1 ARG 108 3.443 2.166 -12.530 824 H LEU 109 H LEU 109 3.406 -2.249 -4.670 825 HA LEU 109 HA LEU 109 3.609 0.396 -3.257 826 HB2 LEU 109 2HB LEU 109 2.387 -1.449 -2.000 827 HB3 LEU 109 3HB LEU 109 3.912 -2.328 -1.966 828 HG LEU 109 HG LEU 109 3.694 0.526 -0.971 829 HD11 LEU 109 1HD1 LEU 109 3.540 -0.519 1.330 830 HD12 LEU 109 2HD1 LEU 109 3.150 -2.040 0.528 831 HD13 LEU 109 3HD1 LEU 109 2.086 -0.647 0.341 832 HD21 LEU 109 3HD2 LEU 109 5.744 -1.676 -0.801 833 HD22 LEU 109 1HD2 LEU 109 5.630 -0.523 0.527 834 HD23 LEU 109 2HD2 LEU 109 5.970 0.045 -1.102 835 H THR 110 H THR 110 5.599 1.217 -3.404 836 HA THR 110 HA THR 110 7.936 -0.650 -3.676 837 HB THR 110 HB THR 110 8.943 1.433 -4.926 838 HG1 THR 110 HG1 THR 110 6.346 1.866 -5.781 839 HG21 THR 110 3HG2 THR 110 7.766 0.619 -7.071 840 HG22 THR 110 1HG2 THR 110 6.918 -0.517 -6.021 841 HG23 THR 110 2HG2 THR 110 8.678 -0.571 -6.142 842 H HIS 111 H HIS 111 9.589 -0.297 -2.304 843 HA HIS 111 HA HIS 111 9.604 2.219 -0.674 844 HB2 HIS 111 2HB HIS 111 8.689 0.160 0.566 845 HB3 HIS 111 3HB HIS 111 10.317 -0.506 0.437 846 HD1 HIS 111 HD1 HIS 111 8.281 1.798 2.424 847 HD2 HIS 111 HD2 HIS 111 12.350 1.256 1.703 848 HE1 HIS 111 HE1 HIS 111 9.505 3.073 4.238 849 H SER 112 H SER 112 11.593 3.145 -0.590 850 HA SER 112 HA SER 112 13.971 1.511 -1.412 851 HB2 SER 112 2HB SER 112 14.688 3.163 -2.919 852 HB3 SER 112 3HB SER 112 12.951 3.101 -3.207 853 HG SER 112 HG SER 112 14.441 5.153 -2.382 854 H GLY 113 H GLY 113 16.008 2.443 -0.674 855 HA2 GLY 113 2HA GLY 113 17.347 3.751 0.795 856 HA3 GLY 113 3HA GLY 113 15.889 4.500 1.427 857 H LEU 114 H LEU 114 17.579 1.371 1.365 858 HA LEU 114 HA LEU 114 16.665 0.888 4.184 859 HB2 LEU 114 2HB LEU 114 17.111 -1.216 2.047 860 HB3 LEU 114 3HB LEU 114 16.513 -1.485 3.683 861 HG LEU 114 HG LEU 114 15.109 0.247 1.625 862 HD11 LEU 114 1HD1 LEU 114 15.240 -2.231 1.066 863 HD12 LEU 114 2HD1 LEU 114 13.609 -1.586 1.243 864 HD13 LEU 114 3HD1 LEU 114 14.329 -2.528 2.548 865 HD21 LEU 114 3HD2 LEU 114 14.454 -0.688 4.427 866 HD22 LEU 114 1HD2 LEU 114 13.174 -0.236 3.301 867 HD23 LEU 114 2HD2 LEU 114 14.388 0.948 3.770 868 HA PRO 115 HA PRO 115 21.314 1.198 3.984 869 HB2 PRO 115 2HB PRO 115 20.746 1.789 6.869 870 HB3 PRO 115 3HB PRO 115 21.831 2.628 5.739 871 HG2 PRO 115 2HG PRO 115 19.500 3.694 6.441 872 HG3 PRO 115 3HG PRO 115 20.109 3.838 4.780 873 HD2 PRO 115 2HD PRO 115 17.952 2.043 5.846 874 HD3 PRO 115 3HD PRO 115 18.052 2.875 4.278 875 H SER 116 H SER 116 19.097 -0.567 6.057 876 HA SER 116 HA SER 116 21.198 -2.675 6.440 877 HB2 SER 116 2HB SER 116 20.891 -1.469 8.560 878 HB3 SER 116 3HB SER 116 19.152 -1.732 8.473 879 HG SER 116 HG SER 116 21.219 -3.657 8.744 880 H ALA 117 H ALA 117 20.493 -4.755 6.186 881 HA ALA 117 HA ALA 117 18.123 -5.248 4.651 882 HB1 ALA 117 3HB ALA 117 18.677 -7.645 5.043 883 HB2 ALA 117 1HB ALA 117 19.890 -7.148 6.221 884 HB3 ALA 117 2HB ALA 117 20.082 -6.714 4.523 885 H GLU 118 H GLU 118 18.854 -5.474 8.095 886 HA GLU 118 HA GLU 118 16.657 -6.963 9.014 887 HB2 GLU 118 2HB GLU 118 17.960 -4.523 10.262 888 HB3 GLU 118 3HB GLU 118 16.883 -5.626 11.116 889 HG2 GLU 118 2HG GLU 118 19.469 -6.458 9.767 890 HG3 GLU 118 3HG GLU 118 19.302 -6.138 11.494 891 H GLN 119 H GLN 119 16.833 -3.503 8.211 892 HA GLN 119 HA GLN 119 14.131 -2.902 8.995 893 HB2 GLN 119 2HB GLN 119 15.934 -1.196 8.614 894 HB3 GLN 119 3HB GLN 119 15.816 -1.520 6.886 895 HG2 GLN 119 2HG GLN 119 14.463 0.429 7.396 896 HG3 GLN 119 3HG GLN 119 13.386 -0.907 6.996 897 HE21 GLN 119 1HE2 GLN 119 14.443 1.228 9.581 898 HE22 GLN 119 2HE2 GLN 119 13.334 0.680 10.744 899 H CYS 120 H CYS 120 15.612 -3.981 5.968 900 HA CYS 120 HA CYS 120 13.301 -3.699 4.303 901 HB2 CYS 120 2HB CYS 120 15.723 -4.176 3.599 902 HB3 CYS 120 3HB CYS 120 15.399 -5.859 4.012 903 HG CYS 120 HG CYS 120 13.612 -5.962 2.143 904 H ALA 121 H ALA 121 14.522 -6.453 6.200 905 HA ALA 121 HA ALA 121 12.443 -8.279 5.465 906 HB1 ALA 121 3HB ALA 121 14.432 -9.155 6.486 907 HB2 ALA 121 1HB ALA 121 13.124 -9.425 7.640 908 HB3 ALA 121 2HB ALA 121 14.254 -8.093 7.883 909 H GLY 122 H GLY 122 12.762 -5.938 8.111 910 HA2 GLY 122 2HA GLY 122 10.336 -6.681 9.465 911 HA3 GLY 122 3HA GLY 122 11.187 -5.148 9.658 912 H HIS 123 H HIS 123 11.055 -4.030 7.169 913 HA HIS 123 HA HIS 123 8.337 -3.085 7.054 914 HB2 HIS 123 2HB HIS 123 10.719 -2.769 5.216 915 HB3 HIS 123 3HB HIS 123 9.166 -1.999 4.894 916 HD1 HIS 123 HD1 HIS 123 9.096 -1.902 8.336 917 HD2 HIS 123 HD2 HIS 123 11.485 0.121 5.582 918 HE1 HIS 123 HE1 HIS 123 9.969 0.158 9.523 919 H GLU 124 H GLU 124 10.233 -5.244 4.947 920 HA GLU 124 HA GLU 124 8.242 -5.683 2.972 921 HB2 GLU 124 2HB GLU 124 10.629 -6.418 2.800 922 HB3 GLU 124 3HB GLU 124 10.291 -7.676 3.991 923 HG2 GLU 124 2HG GLU 124 8.599 -8.657 2.513 924 HG3 GLU 124 3HG GLU 124 8.869 -7.376 1.332 925 H GLU 125 H GLU 125 8.905 -7.433 5.999 926 HA GLU 125 HA GLU 125 6.773 -9.344 5.655 927 HB2 GLU 125 2HB GLU 125 8.719 -9.669 7.188 928 HB3 GLU 125 3HB GLU 125 8.078 -8.393 8.222 929 HG2 GLU 125 2HG GLU 125 6.025 -9.677 8.582 930 HG3 GLU 125 3HG GLU 125 6.603 -10.940 7.497 931 H GLY 126 H GLY 126 7.016 -6.192 7.263 932 HA2 GLY 126 2HA GLY 126 4.462 -6.261 8.549 933 HA3 GLY 126 3HA GLY 126 5.355 -4.796 8.149 934 H TRP 127 H TRP 127 5.428 -4.678 5.486 935 HA TRP 127 HA TRP 127 2.832 -3.848 4.708 936 HB2 TRP 127 2HB TRP 127 5.297 -4.574 3.116 937 HB3 TRP 127 3HB TRP 127 3.825 -3.989 2.341 938 HD1 TRP 127 HD1 TRP 127 6.954 -2.734 3.694 939 HE1 TRP 127 HE1 TRP 127 6.810 -0.217 4.234 940 HE3 TRP 127 HE3 TRP 127 1.896 -2.080 3.484 941 HZ2 TRP 127 HZ2 TRP 127 4.810 1.807 4.536 942 HZ3 TRP 127 HZ3 TRP 127 0.898 0.148 3.899 943 HH2 TRP 127 HH2 TRP 127 2.346 2.091 4.425 944 H ALA 128 H ALA 128 4.468 -6.950 4.305 945 HA ALA 128 HA ALA 128 2.659 -8.152 2.474 946 HB1 ALA 128 3HB ALA 128 4.072 -9.530 4.773 947 HB2 ALA 128 1HB ALA 128 4.862 -9.102 3.256 948 HB3 ALA 128 2HB ALA 128 3.535 -10.266 3.263 949 H HIS 129 H HIS 129 2.604 -8.057 6.038 950 HA HIS 129 HA HIS 129 0.175 -9.581 6.306 951 HB2 HIS 129 2HB HIS 129 1.641 -7.652 8.111 952 HB3 HIS 129 3HB HIS 129 0.140 -8.432 8.608 953 HD1 HIS 129 HD1 HIS 129 3.639 -9.346 7.414 954 HD2 HIS 129 HD2 HIS 129 0.471 -11.031 9.535 955 HE1 HIS 129 HE1 HIS 129 4.468 -11.573 8.290 956 H TYR 130 H TYR 130 0.835 -6.079 6.276 957 HA TYR 130 HA TYR 130 -1.861 -5.239 6.681 958 HB2 TYR 130 2HB TYR 130 0.523 -3.927 5.364 959 HB3 TYR 130 3HB TYR 130 -1.026 -3.102 5.519 960 HD1 TYR 130 HD1 TYR 130 -2.106 -3.349 7.998 961 HD2 TYR 130 HD2 TYR 130 2.085 -3.533 7.064 962 HE1 TYR 130 HE1 TYR 130 -1.553 -2.744 10.337 963 HE2 TYR 130 HE2 TYR 130 2.634 -2.934 9.406 964 HH TYR 130 HH TYR 130 1.378 -1.646 11.312 965 H LEU 131 H LEU 131 -0.017 -5.765 3.678 966 HA LEU 131 HA LEU 131 -2.114 -5.016 1.881 967 HB2 LEU 131 2HB LEU 131 0.328 -6.774 1.652 968 HB3 LEU 131 3HB LEU 131 -0.777 -6.588 0.291 969 HG LEU 131 HG LEU 131 0.279 -4.132 1.695 970 HD11 LEU 131 1HD1 LEU 131 2.292 -5.391 1.207 971 HD12 LEU 131 2HD1 LEU 131 2.139 -4.105 0.010 972 HD13 LEU 131 3HD1 LEU 131 1.717 -5.763 -0.419 973 HD21 LEU 131 3HD2 LEU 131 -1.473 -3.797 0.024 974 HD22 LEU 131 1HD2 LEU 131 -0.586 -4.771 -1.148 975 HD23 LEU 131 2HD2 LEU 131 0.055 -3.214 -0.630 976 H GLY 132 H GLY 132 -1.201 -8.142 3.294 977 HA2 GLY 132 2HA GLY 132 -3.092 -9.727 1.852 978 HA3 GLY 132 3HA GLY 132 -2.364 -10.174 3.396 979 H ARG 133 H ARG 133 -3.277 -8.276 5.104 980 HA ARG 133 HA ARG 133 -5.994 -9.089 5.591 981 HB2 ARG 133 2HB ARG 133 -4.386 -8.409 7.377 982 HB3 ARG 133 3HB ARG 133 -4.473 -6.751 6.781 983 HG2 ARG 133 2HG ARG 133 -6.886 -6.695 7.224 984 HG3 ARG 133 3HG ARG 133 -6.837 -8.368 7.777 985 HD2 ARG 133 2HD ARG 133 -5.319 -7.741 9.605 986 HD3 ARG 133 3HD ARG 133 -5.315 -6.072 9.039 987 HE ARG 133 HE ARG 133 -7.989 -6.568 9.423 988 HH11 ARG 133 1HH2 ARG 133 -5.147 -7.037 11.333 989 HH12 ARG 133 2HH2 ARG 133 -5.968 -6.797 12.839 990 HH21 ARG 133 1HH1 ARG 133 -9.060 -6.252 11.375 991 HH22 ARG 133 2HH1 ARG 133 -8.181 -6.352 12.863 992 H LEU 134 H LEU 134 -4.523 -6.173 4.224 993 HA LEU 134 HA LEU 134 -6.848 -4.552 4.109 994 HB2 LEU 134 2HB LEU 134 -4.569 -3.708 3.635 995 HB3 LEU 134 3HB LEU 134 -4.516 -4.676 2.164 996 HG LEU 134 HG LEU 134 -6.480 -3.413 1.289 997 HD11 LEU 134 1HD1 LEU 134 -6.856 -1.163 2.608 998 HD12 LEU 134 2HD1 LEU 134 -6.239 -2.083 3.978 999 HD13 LEU 134 3HD1 LEU 134 -7.685 -2.629 3.130 1000 HD21 LEU 134 3HD2 LEU 134 -5.253 -1.199 1.041 1001 HD22 LEU 134 1HD2 LEU 134 -4.324 -2.629 0.594 1002 HD23 LEU 134 2HD2 LEU 134 -4.038 -1.840 2.147 1003 H THR 135 H THR 135 -5.582 -6.938 1.790 1004 HA THR 135 HA THR 135 -7.633 -6.502 -0.180 1005 HB THR 135 HB THR 135 -5.909 -8.937 0.348 1006 HG1 THR 135 HG1 THR 135 -4.490 -7.541 -0.334 1007 HG21 THR 135 3HG2 THR 135 -7.755 -9.637 -0.997 1008 HG22 THR 135 1HG2 THR 135 -6.419 -9.359 -2.113 1009 HG23 THR 135 2HG2 THR 135 -7.702 -8.159 -1.958 1010 H GLU 136 H GLU 136 -7.424 -8.472 2.713 1011 HA GLU 136 HA GLU 136 -9.576 -10.268 2.196 1012 HB2 GLU 136 2HB GLU 136 -7.922 -10.402 4.104 1013 HB3 GLU 136 3HB GLU 136 -8.810 -9.091 4.882 1014 HG2 GLU 136 2HG GLU 136 -9.657 -11.151 5.791 1015 HG3 GLU 136 3HG GLU 136 -10.893 -10.526 4.702 1016 H VAL 137 H VAL 137 -9.602 -7.184 4.017 1017 HA VAL 137 HA VAL 137 -12.458 -7.128 4.332 1018 HB VAL 137 HB VAL 137 -10.342 -4.960 4.438 1019 HG11 VAL 137 1HG1 VAL 137 -13.315 -4.821 4.956 1020 HG12 VAL 137 2HG1 VAL 137 -12.353 -3.797 3.896 1021 HG13 VAL 137 3HG1 VAL 137 -12.182 -3.660 5.645 1022 HG21 VAL 137 3HG2 VAL 137 -11.062 -5.108 6.930 1023 HG22 VAL 137 1HG2 VAL 137 -10.063 -6.411 6.289 1024 HG23 VAL 137 2HG2 VAL 137 -11.799 -6.643 6.487 1025 H ALA 138 H ALA 138 -10.278 -5.607 1.961 1026 HA ALA 138 HA ALA 138 -12.310 -4.203 0.519 1027 HB1 ALA 138 3HB ALA 138 -9.605 -5.273 -0.308 1028 HB2 ALA 138 1HB ALA 138 -10.003 -3.623 0.158 1029 HB3 ALA 138 2HB ALA 138 -10.605 -4.279 -1.362 1030 H ALA 139 H ALA 139 -10.995 -7.477 0.203 1031 HA ALA 139 HA ALA 139 -12.848 -8.059 -2.046 1032 HB1 ALA 139 3HB ALA 139 -11.614 -10.097 -2.309 1033 HB2 ALA 139 1HB ALA 139 -10.892 -9.943 -0.708 1034 HB3 ALA 139 2HB ALA 139 -10.417 -8.839 -1.998 1035 H GLY 140 H GLY 140 -12.910 -8.057 1.284 1036 HA2 GLY 140 2HA GLY 140 -14.721 -10.425 1.489 1037 HA3 GLY 140 3HA GLY 140 -13.949 -9.606 2.847 1038 H ARG 141 H ARG 141 -14.679 -7.302 3.222 1039 HA ARG 141 HA ARG 141 -17.207 -6.438 2.094 1040 HB2 ARG 141 2HB ARG 141 -18.572 -6.677 4.123 1041 HB3 ARG 141 3HB ARG 141 -18.004 -8.257 3.586 1042 HG2 ARG 141 2HG ARG 141 -16.158 -8.148 5.238 1043 HG3 ARG 141 3HG ARG 141 -16.755 -6.587 5.796 1044 HD2 ARG 141 2HD ARG 141 -17.590 -8.315 7.287 1045 HD3 ARG 141 3HD ARG 141 -18.940 -7.669 6.353 1046 HE ARG 141 HE ARG 141 -17.836 -9.930 4.983 1047 HH11 ARG 141 1HH2 ARG 141 -19.657 -9.021 7.775 1048 HH12 ARG 141 2HH2 ARG 141 -20.517 -10.522 7.858 1049 HH21 ARG 141 1HH1 ARG 141 -18.949 -11.884 5.084 1050 HH22 ARG 141 2HH1 ARG 141 -20.118 -12.141 6.337 1051 H ASP 142 H ASP 142 -17.996 -5.011 4.533 1052 HA ASP 142 HA ASP 142 -15.647 -3.230 5.006 1053 HB2 ASP 142 2HB ASP 142 -16.917 -2.181 3.228 1054 HB3 ASP 142 3HB ASP 142 -18.411 -2.345 4.152 1055 HA PRO 143 HA PRO 143 -17.496 -4.465 9.068 1056 HB2 PRO 143 2HB PRO 143 -15.158 -2.872 10.024 1057 HB3 PRO 143 3HB PRO 143 -15.684 -4.494 10.501 1058 HG2 PRO 143 2HG PRO 143 -13.560 -4.056 8.892 1059 HG3 PRO 143 3HG PRO 143 -14.562 -5.506 8.776 1060 HD2 PRO 143 2HD PRO 143 -14.423 -3.171 6.942 1061 HD3 PRO 143 3HD PRO 143 -14.929 -4.840 6.603 1062 H GLY 144 H GLY 144 -19.281 -3.236 9.392 1063 HA2 GLY 144 2HA GLY 144 -20.630 -1.419 9.940 1064 HA3 GLY 144 3HA GLY 144 -19.264 -0.872 10.906 1065 HA PRO 145 HA PRO 145 -19.783 1.839 7.034 1066 HB2 PRO 145 2HB PRO 145 -21.451 3.808 7.861 1067 HB3 PRO 145 3HB PRO 145 -22.069 2.272 7.222 1068 HG2 PRO 145 2HG PRO 145 -21.807 3.162 10.062 1069 HG3 PRO 145 3HG PRO 145 -23.133 2.290 9.276 1070 HD2 PRO 145 2HD PRO 145 -21.181 1.053 10.805 1071 HD3 PRO 145 3HD PRO 145 -22.102 0.240 9.520 1072 H ASP 146 H ASP 146 -20.520 4.189 9.464 1073 HA ASP 146 HA ASP 146 -19.265 5.883 10.456 1074 HB2 ASP 146 2HB ASP 146 -16.925 3.972 10.286 1075 HB3 ASP 146 3HB ASP 146 -17.149 5.304 11.417 1076 HA PRO 147 HA PRO 147 -17.361 6.818 6.298 1077 HB2 PRO 147 2HB PRO 147 -19.052 8.810 5.528 1078 HB3 PRO 147 3HB PRO 147 -19.415 7.093 5.259 1079 HG2 PRO 147 2HG PRO 147 -20.436 8.930 7.378 1080 HG3 PRO 147 3HG PRO 147 -21.294 7.679 6.463 1081 HD2 PRO 147 2HD PRO 147 -20.354 7.317 9.035 1082 HD3 PRO 147 3HD PRO 147 -20.611 5.985 7.888 1083 H PHE 148 H PHE 148 -15.893 8.468 5.925 1084 HA PHE 148 HA PHE 148 -15.315 10.259 8.166 1085 HB2 PHE 148 2HB PHE 148 -13.456 9.214 7.003 1086 HB3 PHE 148 3HB PHE 148 -14.018 9.848 5.455 1087 HD1 PHE 148 HD2 PHE 148 -12.919 10.938 8.855 1088 HD2 PHE 148 HD1 PHE 148 -13.270 11.954 4.698 1089 HE1 PHE 148 HE2 PHE 148 -11.660 13.034 9.262 1090 HE2 PHE 148 HE1 PHE 148 -12.015 14.054 5.104 1091 HZ PHE 148 HZ PHE 148 -11.210 14.593 7.388 1092 H TYR 149 H TYR 149 -14.934 11.299 4.856 1093 HA TYR 149 HA TYR 149 -15.443 13.396 3.916 1094 HB2 TYR 149 2HB TYR 149 -18.179 12.381 4.733 1095 HB3 TYR 149 3HB TYR 149 -17.879 13.657 3.551 1096 HD1 TYR 149 HD2 TYR 149 -17.519 10.050 4.261 1097 HD2 TYR 149 HD1 TYR 149 -16.957 13.164 1.356 1098 HE1 TYR 149 HE2 TYR 149 -17.156 8.342 2.500 1099 HE2 TYR 149 HE1 TYR 149 -16.592 11.455 -0.405 1100 HH TYR 149 HH TYR 149 -15.761 8.944 -0.388 1101 H GLY 150 H GLY 150 -14.350 14.305 5.960 1102 HA2 GLY 150 2HA GLY 150 -16.120 15.589 7.900 1103 HA3 GLY 150 3HA GLY 150 -14.368 15.760 7.819 1104 H ARG 151 H ARG 151 -15.334 18.056 8.293 1105 HA ARG 151 HA ARG 151 -15.567 20.261 7.557 1106 HB2 ARG 151 2HB ARG 151 -13.507 19.454 6.198 1107 HB3 ARG 151 3HB ARG 151 -14.625 19.324 4.841 1108 HG2 ARG 151 2HG ARG 151 -15.223 21.696 5.073 1109 HG3 ARG 151 3HG ARG 151 -14.177 21.836 6.482 1110 HD2 ARG 151 2HD ARG 151 -12.246 21.137 5.018 1111 HD3 ARG 151 3HD ARG 151 -13.330 21.256 3.632 1112 HE ARG 151 HE ARG 151 -13.467 23.696 5.104 1113 HH11 ARG 151 1HH2 ARG 151 -11.340 21.822 3.133 1114 HH12 ARG 151 2HH2 ARG 151 -10.450 23.195 2.565 1115 HH21 ARG 151 1HH1 ARG 151 -12.314 25.488 4.376 1116 HH22 ARG 151 2HH1 ARG 151 -11.000 25.268 3.268 1117 H ARG 152 H ARG 152 -17.786 18.396 7.332 1118 HA ARG 152 HA ARG 152 -19.345 19.817 5.217 1119 HB2 ARG 152 2HB ARG 152 -18.670 17.588 4.340 1120 HB3 ARG 152 3HB ARG 152 -19.458 16.829 5.724 1121 HG2 ARG 152 2HG ARG 152 -21.614 17.808 5.053 1122 HG3 ARG 152 3HG ARG 152 -20.834 18.606 3.687 1123 HD2 ARG 152 2HD ARG 152 -20.144 16.345 2.841 1124 HD3 ARG 152 3HD ARG 152 -21.096 15.620 4.138 1125 HE ARG 152 HE ARG 152 -22.762 17.441 2.715 1126 HH11 ARG 152 1HH2 ARG 152 -21.079 14.449 2.315 1127 HH12 ARG 152 2HH2 ARG 152 -22.218 13.818 1.173 1128 HH21 ARG 152 1HH1 ARG 152 -24.246 16.626 1.234 1129 HH22 ARG 152 2HH1 ARG 152 -24.008 15.046 0.563 1130 H LEU 153 H LEU 153 -21.181 20.612 6.024 1131 HA LEU 153 HA LEU 153 -22.706 19.217 8.089 1132 HB2 LEU 153 2HB LEU 153 -22.634 21.537 9.452 1133 HB3 LEU 153 3HB LEU 153 -21.455 20.264 9.749 1134 HG LEU 153 HG LEU 153 -19.866 21.339 8.215 1135 HD11 LEU 153 1HD1 LEU 153 -21.208 22.406 6.583 1136 HD12 LEU 153 2HD1 LEU 153 -20.527 23.748 7.499 1137 HD13 LEU 153 3HD1 LEU 153 -22.187 23.231 7.796 1138 HD21 LEU 153 3HD2 LEU 153 -19.609 23.522 9.532 1139 HD22 LEU 153 1HD2 LEU 153 -19.648 22.038 10.483 1140 HD23 LEU 153 2HD2 LEU 153 -21.083 23.060 10.385 1141 H GLU 154 H GLU 154 -22.391 21.170 5.438 1142 HA GLU 154 HA GLU 154 -25.171 22.270 5.728 1143 HB2 GLU 154 2HB GLU 154 -24.485 24.121 4.280 1144 HB3 GLU 154 3HB GLU 154 -23.436 24.042 5.695 1145 HG2 GLU 154 2HG GLU 154 -21.802 22.711 4.310 1146 HG3 GLU 154 3HG GLU 154 -22.813 23.046 2.903 1147 H HIS 155 H HIS 155 -26.594 21.697 4.179 1148 HA HIS 155 HA HIS 155 -25.737 19.778 2.119 1149 HB2 HIS 155 2HB HIS 155 -28.443 20.900 2.901 1150 HB3 HIS 155 3HB HIS 155 -28.204 19.669 1.660 1151 HD1 HIS 155 HD1 HIS 155 -27.939 20.217 5.383 1152 HD2 HIS 155 HD2 HIS 155 -27.615 17.084 2.652 1153 HE1 HIS 155 HE1 HIS 155 -27.837 18.086 6.747 1154 H HIS 156 H HIS 156 -27.882 22.643 1.960 1155 HA HIS 156 HA HIS 156 -26.349 23.985 -0.048 1156 HB2 HIS 156 2HB HIS 156 -27.958 23.618 -1.965 1157 HB3 HIS 156 3HB HIS 156 -26.971 22.217 -1.558 1158 HD1 HIS 156 HD1 HIS 156 -28.158 20.223 -0.356 1159 HD2 HIS 156 HD2 HIS 156 -30.730 23.304 -1.479 1160 HE1 HIS 156 HE1 HIS 156 -30.506 19.293 -0.183 1161 H HIS 157 H HIS 157 -26.889 25.765 1.277 1162 HA HIS 157 HA HIS 157 -29.532 26.940 0.706 1163 HB2 HIS 157 2HB HIS 157 -29.902 25.608 2.776 1164 HB3 HIS 157 3HB HIS 157 -28.607 26.508 3.564 1165 HD1 HIS 157 HD1 HIS 157 -31.845 27.308 1.691 1166 HD2 HIS 157 HD2 HIS 157 -29.549 28.757 4.856 1167 HE1 HIS 157 HE1 HIS 157 -33.128 29.259 2.674 1168 H HIS 158 H HIS 158 -29.461 29.177 0.751 1169 HA HIS 158 HA HIS 158 -27.154 30.574 1.962 1170 HB2 HIS 158 2HB HIS 158 -26.407 29.920 -0.342 1171 HB3 HIS 158 3HB HIS 158 -27.781 30.807 -1.000 1172 HD1 HIS 158 HD1 HIS 158 -27.591 33.336 -1.155 1173 HD2 HIS 158 HD2 HIS 158 -24.451 31.626 0.988 1174 HE1 HIS 158 HE1 HIS 158 -25.914 35.189 -0.741 1175 H HIS 159 H HIS 159 -29.843 31.049 -0.349 1176 HA HIS 159 HA HIS 159 -31.388 32.813 -0.514 1177 HB2 HIS 159 2HB HIS 159 -32.285 31.384 1.340 1178 HB3 HIS 159 3HB HIS 159 -31.465 32.438 2.493 1179 HD1 HIS 159 HD1 HIS 159 -32.511 34.721 2.968 1180 HD2 HIS 159 HD2 HIS 159 -34.450 32.667 -0.099 1181 HE1 HIS 159 HE1 HIS 159 -34.630 36.014 2.468 1182 H HIS 160 H HIS 160 -30.055 34.527 -1.162 1183 HA HIS 160 HA HIS 160 -28.354 36.074 0.480 1184 HB2 HIS 160 2HB HIS 160 -28.405 36.238 -1.983 1185 HB3 HIS 160 3HB HIS 160 -30.005 36.975 -1.900 1186 HD1 HIS 160 HD1 HIS 160 -26.513 37.625 -0.503 1187 HD2 HIS 160 HD2 HIS 160 -29.892 39.728 -1.740 1188 HE1 HIS 160 HE1 HIS 160 -25.928 40.083 -0.332 Start of MODEL 9 1 H1 MET 1 1H MET 1 29.440 12.315 5.001 2 H2 MET 1 2H MET 1 31.010 12.606 4.422 3 H3 MET 1 3H MET 1 30.331 11.052 4.304 4 HA MET 1 HA MET 1 28.534 12.124 2.881 5 HB2 MET 1 2HB MET 1 30.717 14.232 2.832 6 HB3 MET 1 3HB MET 1 29.372 14.163 1.693 7 HG2 MET 1 2HG MET 1 27.782 14.312 3.599 8 HG3 MET 1 3HG MET 1 29.148 14.470 4.703 9 HE1 MET 1 3HE MET 1 30.787 16.111 4.757 10 HE2 MET 1 1HE MET 1 30.678 17.776 4.176 11 HE3 MET 1 2HE MET 1 31.242 16.500 3.102 12 H GLU 2 H GLU 2 31.697 11.055 3.175 13 HA GLU 2 HA GLU 2 32.188 10.745 0.274 14 HB2 GLU 2 2HB GLU 2 33.777 9.862 2.706 15 HB3 GLU 2 3HB GLU 2 34.307 9.671 1.034 16 HG2 GLU 2 2HG GLU 2 33.594 12.343 2.273 17 HG3 GLU 2 3HG GLU 2 35.238 11.716 2.185 18 H LYS 3 H LYS 3 30.443 9.154 2.632 19 HA LYS 3 HA LYS 3 31.054 6.409 1.826 20 HB2 LYS 3 2HB LYS 3 30.271 6.972 4.117 21 HB3 LYS 3 3HB LYS 3 28.724 7.486 3.442 22 HG2 LYS 3 2HG LYS 3 28.308 5.245 2.580 23 HG3 LYS 3 3HG LYS 3 29.900 4.711 3.125 24 HD2 LYS 3 2HD LYS 3 29.257 5.203 5.464 25 HD3 LYS 3 3HD LYS 3 27.657 5.699 4.912 26 HE2 LYS 3 2HE LYS 3 28.839 2.952 4.424 27 HE3 LYS 3 3HE LYS 3 27.737 3.333 5.748 28 HZ1 LYS 3 3HZ LYS 3 26.920 4.140 3.067 29 HZ2 LYS 3 1HZ LYS 3 25.986 3.551 4.356 30 HZ3 LYS 3 2HZ LYS 3 26.896 2.474 3.406 31 H ALA 4 H ALA 4 29.964 5.195 0.328 32 HA ALA 4 HA ALA 4 28.408 6.520 -1.689 33 HB1 ALA 4 3HB ALA 4 28.152 4.310 -2.672 34 HB2 ALA 4 1HB ALA 4 28.615 3.545 -1.152 35 HB3 ALA 4 2HB ALA 4 29.800 4.475 -2.069 36 H MET 5 H MET 5 26.194 6.552 -2.045 37 HA MET 5 HA MET 5 24.348 4.952 -0.452 38 HB2 MET 5 2HB MET 5 25.017 6.833 1.097 39 HB3 MET 5 3HB MET 5 24.309 7.956 -0.064 40 HG2 MET 5 2HG MET 5 22.614 7.502 1.574 41 HG3 MET 5 3HG MET 5 22.159 6.620 0.118 42 HE1 MET 5 3HE MET 5 20.697 5.774 2.546 43 HE2 MET 5 1HE MET 5 21.939 6.474 3.595 44 HE3 MET 5 2HE MET 5 21.495 4.777 3.760 45 HA PRO 6 HA PRO 6 22.782 6.567 -4.518 46 HB2 PRO 6 2HB PRO 6 22.598 4.224 -5.859 47 HB3 PRO 6 3HB PRO 6 24.134 5.103 -5.715 48 HG2 PRO 6 2HG PRO 6 23.189 2.696 -4.230 49 HG3 PRO 6 3HG PRO 6 24.813 3.094 -4.817 50 HD2 PRO 6 2HD PRO 6 23.937 3.445 -2.177 51 HD3 PRO 6 3HD PRO 6 25.345 4.259 -2.895 52 H GLU 7 H GLU 7 21.526 3.344 -4.525 53 HA GLU 7 HA GLU 7 19.117 3.995 -2.997 54 HB2 GLU 7 2HB GLU 7 18.776 5.020 -5.300 55 HB3 GLU 7 3HB GLU 7 18.838 3.381 -5.952 56 HG2 GLU 7 2HG GLU 7 16.937 2.715 -4.586 57 HG3 GLU 7 3HG GLU 7 16.923 4.288 -3.793 58 H SER 8 H SER 8 20.690 2.085 -2.222 59 HA SER 8 HA SER 8 20.137 -0.480 -3.568 60 HB2 SER 8 2HB SER 8 21.833 0.361 -1.223 61 HB3 SER 8 3HB SER 8 21.511 -1.342 -1.536 62 HG SER 8 HG SER 8 22.275 0.206 -3.710 63 H PHE 9 H PHE 9 19.325 -2.333 -2.279 64 HA PHE 9 HA PHE 9 17.695 -3.359 -0.949 65 HB2 PHE 9 2HB PHE 9 17.707 -0.906 0.811 66 HB3 PHE 9 3HB PHE 9 17.405 -2.581 1.262 67 HD1 PHE 9 HD2 PHE 9 19.401 -4.256 0.657 68 HD2 PHE 9 HD1 PHE 9 19.828 -0.025 1.276 69 HE1 PHE 9 HE2 PHE 9 21.809 -4.569 1.157 70 HE2 PHE 9 HE1 PHE 9 22.236 -0.341 1.775 71 HZ PHE 9 HZ PHE 9 23.227 -2.613 1.715 72 H VAL 10 H VAL 10 16.047 -3.216 -2.509 73 HA VAL 10 HA VAL 10 14.046 -1.023 -2.055 74 HB VAL 10 HB VAL 10 14.909 -2.309 -4.662 75 HG11 VAL 10 1HG1 VAL 10 12.554 -2.127 -4.851 76 HG12 VAL 10 2HG1 VAL 10 13.166 -0.655 -5.605 77 HG13 VAL 10 3HG1 VAL 10 12.517 -0.601 -3.967 78 HG21 VAL 10 3HG2 VAL 10 15.079 0.472 -3.494 79 HG22 VAL 10 1HG2 VAL 10 15.218 0.185 -5.226 80 HG23 VAL 10 2HG2 VAL 10 16.387 -0.529 -4.114 81 H VAL 11 H VAL 11 11.985 -1.726 -1.750 82 HA VAL 11 HA VAL 11 11.435 -4.667 -2.050 83 HB VAL 11 HB VAL 11 10.416 -2.632 -0.048 84 HG11 VAL 11 1HG1 VAL 11 8.493 -3.927 -0.596 85 HG12 VAL 11 2HG1 VAL 11 9.151 -4.673 0.859 86 HG13 VAL 11 3HG1 VAL 11 9.434 -5.414 -0.717 87 HG21 VAL 11 3HG2 VAL 11 11.954 -5.235 0.197 88 HG22 VAL 11 1HG2 VAL 11 11.357 -4.292 1.563 89 HG23 VAL 11 2HG2 VAL 11 12.584 -3.615 0.493 90 H ARG 12 H ARG 12 9.767 -5.197 -3.361 91 HA ARG 12 HA ARG 12 7.831 -3.060 -4.200 92 HB2 ARG 12 2HB ARG 12 9.207 -5.149 -5.917 93 HB3 ARG 12 3HB ARG 12 7.842 -4.170 -6.459 94 HG2 ARG 12 2HG ARG 12 9.120 -2.121 -6.097 95 HG3 ARG 12 3HG ARG 12 10.471 -3.048 -5.445 96 HD2 ARG 12 2HD ARG 12 10.919 -2.495 -7.783 97 HD3 ARG 12 3HD ARG 12 10.666 -4.234 -7.629 98 HE ARG 12 HE ARG 12 8.176 -2.930 -8.231 99 HH11 ARG 12 1HH2 ARG 12 11.226 -3.867 -9.546 100 HH12 ARG 12 2HH2 ARG 12 10.628 -4.025 -11.163 101 HH21 ARG 12 1HH1 ARG 12 7.380 -3.134 -10.335 102 HH22 ARG 12 2HH1 ARG 12 8.451 -3.610 -11.610 103 H ARG 13 H ARG 13 5.705 -3.727 -4.175 104 HA ARG 13 HA ARG 13 5.129 -6.640 -3.882 105 HB2 ARG 13 2HB ARG 13 4.308 -4.419 -2.005 106 HB3 ARG 13 3HB ARG 13 3.389 -5.918 -2.106 107 HG2 ARG 13 2HG ARG 13 6.379 -5.998 -1.685 108 HG3 ARG 13 3HG ARG 13 5.298 -5.716 -0.322 109 HD2 ARG 13 2HD ARG 13 4.067 -7.805 -0.903 110 HD3 ARG 13 3HD ARG 13 5.237 -8.114 -2.181 111 HE ARG 13 HE ARG 13 6.498 -7.718 0.408 112 HH11 ARG 13 1HH2 ARG 13 4.887 -9.887 -1.728 113 HH12 ARG 13 2HH2 ARG 13 5.621 -11.308 -1.059 114 HH21 ARG 13 1HH1 ARG 13 7.474 -9.559 1.297 115 HH22 ARG 13 2HH1 ARG 13 7.086 -11.121 0.656 116 H GLU 14 H GLU 14 3.000 -7.225 -4.483 117 HA GLU 14 HA GLU 14 1.368 -5.132 -5.850 118 HB2 GLU 14 2HB GLU 14 2.318 -7.756 -7.035 119 HB3 GLU 14 3HB GLU 14 1.017 -6.788 -7.729 120 HG2 GLU 14 2HG GLU 14 2.533 -4.887 -7.998 121 HG3 GLU 14 3HG GLU 14 3.838 -5.795 -7.232 122 H ALA 15 H ALA 15 -0.857 -5.611 -5.855 123 HA ALA 15 HA ALA 15 -1.798 -8.184 -4.767 124 HB1 ALA 15 3HB ALA 15 -1.241 -6.698 -2.779 125 HB2 ALA 15 1HB ALA 15 -2.912 -7.251 -2.849 126 HB3 ALA 15 2HB ALA 15 -2.506 -5.606 -3.338 127 H HIS 16 H HIS 16 -3.612 -8.680 -5.896 128 HA HIS 16 HA HIS 16 -4.923 -6.552 -7.484 129 HB2 HIS 16 2HB HIS 16 -6.195 -8.512 -8.450 130 HB3 HIS 16 3HB HIS 16 -4.450 -8.590 -8.679 131 HD1 HIS 16 HD1 HIS 16 -3.138 -10.382 -7.353 132 HD2 HIS 16 HD2 HIS 16 -7.237 -10.426 -6.592 133 HE1 HIS 16 HE1 HIS 16 -3.613 -12.536 -6.107 134 H LEU 17 H LEU 17 -6.470 -5.428 -6.422 135 HA LEU 17 HA LEU 17 -8.164 -6.829 -4.397 136 HB2 LEU 17 2HB LEU 17 -7.522 -3.925 -4.944 137 HB3 LEU 17 3HB LEU 17 -8.904 -4.380 -3.949 138 HG LEU 17 HG LEU 17 -7.355 -5.738 -2.514 139 HD11 LEU 17 1HD1 LEU 17 -5.338 -4.567 -4.427 140 HD12 LEU 17 2HD1 LEU 17 -5.501 -6.233 -3.873 141 HD13 LEU 17 3HD1 LEU 17 -4.871 -5.001 -2.783 142 HD21 LEU 17 3HD2 LEU 17 -6.406 -2.875 -2.704 143 HD22 LEU 17 1HD2 LEU 17 -6.560 -3.877 -1.261 144 HD23 LEU 17 2HD2 LEU 17 -8.004 -3.291 -2.088 145 H ALA 18 H ALA 18 -10.259 -7.239 -4.814 146 HA ALA 18 HA ALA 18 -11.310 -6.725 -7.486 147 HB1 ALA 18 3HB ALA 18 -11.808 -8.834 -6.349 148 HB2 ALA 18 1HB ALA 18 -13.303 -7.948 -6.640 149 HB3 ALA 18 2HB ALA 18 -12.586 -7.961 -5.029 150 H ALA 19 H ALA 19 -10.933 -4.640 -5.087 151 HA ALA 19 HA ALA 19 -13.654 -3.412 -5.272 152 HB1 ALA 19 3HB ALA 19 -11.379 -3.156 -3.316 153 HB2 ALA 19 1HB ALA 19 -13.056 -3.587 -2.995 154 HB3 ALA 19 2HB ALA 19 -12.630 -1.923 -3.394 155 HA PRO 20 HA PRO 20 -12.081 -0.264 -7.965 156 HB2 PRO 20 2HB PRO 20 -13.567 1.930 -7.140 157 HB3 PRO 20 3HB PRO 20 -14.201 0.628 -8.166 158 HG2 PRO 20 2HG PRO 20 -14.514 1.043 -5.225 159 HG3 PRO 20 3HG PRO 20 -15.698 0.476 -6.417 160 HD2 PRO 20 2HD PRO 20 -14.407 -1.233 -4.738 161 HD3 PRO 20 3HD PRO 20 -14.893 -1.706 -6.381 162 HA PRO 21 HA PRO 21 -8.885 2.043 -5.941 163 HB2 PRO 21 2HB PRO 21 -8.784 4.357 -7.462 164 HB3 PRO 21 3HB PRO 21 -8.121 2.797 -7.989 165 HG2 PRO 21 2HG PRO 21 -10.731 4.074 -8.687 166 HG3 PRO 21 3HG PRO 21 -9.602 3.175 -9.721 167 HD2 PRO 21 2HD PRO 21 -11.866 2.034 -8.747 168 HD3 PRO 21 3HD PRO 21 -10.373 1.101 -8.994 169 H ALA 22 H ALA 22 -11.987 3.573 -6.385 170 HA ALA 22 HA ALA 22 -11.574 5.874 -4.726 171 HB1 ALA 22 3HB ALA 22 -14.111 5.781 -4.517 172 HB2 ALA 22 1HB ALA 22 -14.051 4.304 -5.481 173 HB3 ALA 22 2HB ALA 22 -13.494 5.831 -6.169 174 H ALA 23 H ALA 23 -12.666 2.566 -4.038 175 HA ALA 23 HA ALA 23 -13.287 3.034 -1.270 176 HB1 ALA 23 3HB ALA 23 -14.149 1.072 -2.428 177 HB2 ALA 23 1HB ALA 23 -13.130 0.541 -1.089 178 HB3 ALA 23 2HB ALA 23 -12.511 0.497 -2.741 179 H VAL 24 H VAL 24 -10.353 1.880 -2.921 180 HA VAL 24 HA VAL 24 -8.843 1.362 -0.546 181 HB VAL 24 HB VAL 24 -7.944 2.110 -3.344 182 HG11 VAL 24 1HG1 VAL 24 -6.427 1.143 -0.914 183 HG12 VAL 24 2HG1 VAL 24 -6.099 2.568 -1.902 184 HG13 VAL 24 3HG1 VAL 24 -5.801 0.956 -2.553 185 HG21 VAL 24 3HG2 VAL 24 -8.229 -0.546 -1.902 186 HG22 VAL 24 1HG2 VAL 24 -7.535 -0.344 -3.511 187 HG23 VAL 24 2HG2 VAL 24 -9.236 0.028 -3.232 188 H PHE 25 H PHE 25 -9.013 4.236 -2.652 189 HA PHE 25 HA PHE 25 -7.129 5.815 -1.217 190 HB2 PHE 25 2HB PHE 25 -7.947 6.429 -3.455 191 HB3 PHE 25 3HB PHE 25 -9.562 6.703 -2.799 192 HD1 PHE 25 HD2 PHE 25 -5.996 7.757 -2.325 193 HD2 PHE 25 HD1 PHE 25 -10.142 8.839 -2.011 194 HE1 PHE 25 HE2 PHE 25 -5.347 10.073 -1.718 195 HE2 PHE 25 HE1 PHE 25 -9.493 11.152 -1.405 196 HZ PHE 25 HZ PHE 25 -7.095 11.770 -1.258 197 H ALA 26 H ALA 26 -10.654 5.508 -0.881 198 HA ALA 26 HA ALA 26 -11.015 7.464 1.138 199 HB1 ALA 26 3HB ALA 26 -12.935 6.506 0.039 200 HB2 ALA 26 1HB ALA 26 -13.046 6.075 1.745 201 HB3 ALA 26 2HB ALA 26 -12.495 4.882 0.569 202 H LEU 27 H LEU 27 -10.179 4.015 1.401 203 HA LEU 27 HA LEU 27 -10.310 3.825 4.239 204 HB2 LEU 27 2HB LEU 27 -8.775 2.340 2.110 205 HB3 LEU 27 3HB LEU 27 -8.553 1.942 3.814 206 HG LEU 27 HG LEU 27 -11.358 2.114 2.719 207 HD11 LEU 27 1HD1 LEU 27 -9.385 -0.139 2.293 208 HD12 LEU 27 2HD1 LEU 27 -10.388 0.668 1.090 209 HD13 LEU 27 3HD1 LEU 27 -11.129 -0.404 2.277 210 HD21 LEU 27 3HD2 LEU 27 -10.047 0.293 4.769 211 HD22 LEU 27 1HD2 LEU 27 -11.773 0.444 4.456 212 HD23 LEU 27 2HD2 LEU 27 -10.888 1.788 5.169 213 H MET 28 H MET 28 -7.613 4.700 2.091 214 HA MET 28 HA MET 28 -5.670 4.964 4.190 215 HB2 MET 28 2HB MET 28 -5.821 6.159 1.409 216 HB3 MET 28 3HB MET 28 -4.423 6.338 2.470 217 HG2 MET 28 2HG MET 28 -4.220 3.879 2.608 218 HG3 MET 28 3HG MET 28 -5.599 3.710 1.522 219 HE1 MET 28 3HE MET 28 -4.459 2.287 0.011 220 HE2 MET 28 1HE MET 28 -2.836 2.296 0.716 221 HE3 MET 28 2HE MET 28 -3.058 2.643 -0.997 222 H THR 29 H THR 29 -8.001 7.198 2.749 223 HA THR 29 HA THR 29 -6.961 9.433 4.401 224 HB THR 29 HB THR 29 -8.830 10.696 3.205 225 HG1 THR 29 HG1 THR 29 -9.334 8.152 2.453 226 HG21 THR 29 3HG2 THR 29 -6.442 10.678 2.474 227 HG22 THR 29 1HG2 THR 29 -7.569 10.849 1.129 228 HG23 THR 29 2HG2 THR 29 -6.804 9.293 1.444 229 H ASP 30 H ASP 30 -8.993 6.871 4.919 230 HA ASP 30 HA ASP 30 -10.863 8.429 6.659 231 HB2 ASP 30 2HB ASP 30 -11.048 5.667 5.467 232 HB3 ASP 30 3HB ASP 30 -12.137 6.234 6.729 233 HA PRO 31 HA PRO 31 -7.947 6.521 9.678 234 HB2 PRO 31 2HB PRO 31 -8.351 8.303 11.717 235 HB3 PRO 31 3HB PRO 31 -7.257 8.621 10.358 236 HG2 PRO 31 2HG PRO 31 -10.030 9.608 10.822 237 HG3 PRO 31 3HG PRO 31 -8.632 10.454 10.138 238 HD2 PRO 31 2HD PRO 31 -10.666 9.398 8.621 239 HD3 PRO 31 3HD PRO 31 -9.014 9.630 8.007 240 H GLU 32 H GLU 32 -11.330 7.243 9.921 241 HA GLU 32 HA GLU 32 -11.712 5.735 12.416 242 HB2 GLU 32 2HB GLU 32 -13.646 6.971 10.435 243 HB3 GLU 32 3HB GLU 32 -14.148 6.140 11.909 244 HG2 GLU 32 2HG GLU 32 -12.888 7.728 13.275 245 HG3 GLU 32 3HG GLU 32 -12.285 8.530 11.824 246 H LYS 33 H LYS 33 -12.318 5.280 8.943 247 HA LYS 33 HA LYS 33 -13.641 2.749 9.172 248 HB2 LYS 33 2HB LYS 33 -13.468 4.346 7.135 249 HB3 LYS 33 3HB LYS 33 -11.928 3.550 6.816 250 HG2 LYS 33 2HG LYS 33 -13.034 1.378 6.696 251 HG3 LYS 33 3HG LYS 33 -14.578 2.112 7.131 252 HD2 LYS 33 2HD LYS 33 -14.489 3.499 5.085 253 HD3 LYS 33 3HD LYS 33 -12.964 2.731 4.640 254 HE2 LYS 33 2HE LYS 33 -14.095 0.527 4.601 255 HE3 LYS 33 3HE LYS 33 -15.617 1.313 5.011 256 HZ1 LYS 33 3HZ LYS 33 -15.862 2.120 2.947 257 HZ2 LYS 33 1HZ LYS 33 -14.808 0.864 2.515 258 HZ3 LYS 33 2HZ LYS 33 -14.204 2.434 2.744 259 H ILE 34 H ILE 34 -10.229 3.645 8.988 260 HA ILE 34 HA ILE 34 -9.194 1.033 8.517 261 HB ILE 34 HB ILE 34 -7.992 3.404 9.966 262 HG12 ILE 34 2HG1 ILE 34 -7.392 2.246 7.230 263 HG13 ILE 34 3HG1 ILE 34 -8.555 3.547 7.487 264 HG21 ILE 34 1HG2 ILE 34 -6.842 0.704 9.233 265 HG22 ILE 34 2HG2 ILE 34 -6.785 1.528 10.791 266 HG23 ILE 34 3HG2 ILE 34 -5.815 2.122 9.445 267 HD11 ILE 34 3HD1 ILE 34 -5.589 3.589 8.089 268 HD12 ILE 34 1HD1 ILE 34 -6.705 4.835 8.641 269 HD13 ILE 34 2HD1 ILE 34 -6.457 4.579 6.916 270 H LEU 35 H LEU 35 -10.025 2.718 11.530 271 HA LEU 35 HA LEU 35 -9.045 0.998 13.472 272 HB2 LEU 35 2HB LEU 35 -11.896 2.042 13.464 273 HB3 LEU 35 3HB LEU 35 -10.916 1.645 14.875 274 HG LEU 35 HG LEU 35 -10.291 3.839 12.879 275 HD11 LEU 35 1HD1 LEU 35 -11.227 4.059 15.747 276 HD12 LEU 35 2HD1 LEU 35 -12.279 4.256 14.345 277 HD13 LEU 35 3HD1 LEU 35 -10.951 5.384 14.617 278 HD21 LEU 35 3HD2 LEU 35 -8.213 3.152 13.767 279 HD22 LEU 35 1HD2 LEU 35 -8.908 2.803 15.349 280 HD23 LEU 35 2HD2 LEU 35 -8.687 4.473 14.834 281 H ARG 36 H ARG 36 -11.412 0.295 11.042 282 HA ARG 36 HA ARG 36 -12.722 -1.938 12.266 283 HB2 ARG 36 2HB ARG 36 -12.151 -1.276 9.365 284 HB3 ARG 36 3HB ARG 36 -13.121 -2.657 9.862 285 HG2 ARG 36 2HG ARG 36 -14.675 -1.155 11.033 286 HG3 ARG 36 3HG ARG 36 -13.698 0.234 10.557 287 HD2 ARG 36 2HD ARG 36 -14.099 -0.294 8.181 288 HD3 ARG 36 3HD ARG 36 -15.072 -1.686 8.653 289 HE ARG 36 HE ARG 36 -16.183 0.566 9.947 290 HH11 ARG 36 1HH2 ARG 36 -15.590 -0.660 6.775 291 HH12 ARG 36 2HH2 ARG 36 -16.946 0.152 6.066 292 HH21 ARG 36 1HH1 ARG 36 -17.954 1.632 9.035 293 HH22 ARG 36 2HH1 ARG 36 -18.283 1.449 7.345 294 H TRP 37 H TRP 37 -9.771 -1.675 10.301 295 HA TRP 37 HA TRP 37 -9.048 -4.470 11.120 296 HB2 TRP 37 2HB TRP 37 -7.839 -4.683 9.000 297 HB3 TRP 37 3HB TRP 37 -9.535 -4.315 8.705 298 HD1 TRP 37 HD1 TRP 37 -10.073 -1.630 8.221 299 HE1 TRP 37 HE1 TRP 37 -8.681 0.054 6.855 300 HE3 TRP 37 HE3 TRP 37 -5.544 -3.988 8.262 301 HZ2 TRP 37 HZ2 TRP 37 -6.001 0.367 5.904 302 HZ3 TRP 37 HZ3 TRP 37 -3.591 -2.979 7.120 303 HH2 TRP 37 HH2 TRP 37 -3.813 -0.808 5.942 304 H MET 38 H MET 38 -8.060 -3.449 12.978 305 HA MET 38 HA MET 38 -6.096 -2.917 14.131 306 HB2 MET 38 2HB MET 38 -5.041 -4.073 12.021 307 HB3 MET 38 3HB MET 38 -4.632 -2.426 11.541 308 HG2 MET 38 2HG MET 38 -3.468 -2.078 13.679 309 HG3 MET 38 3HG MET 38 -3.887 -3.715 14.182 310 HE1 MET 38 3HE MET 38 -1.231 -2.645 14.381 311 HE2 MET 38 1HE MET 38 -0.032 -3.581 13.475 312 HE3 MET 38 2HE MET 38 -1.181 -4.400 14.530 313 H GLY 39 H GLY 39 -5.503 -0.996 15.021 314 HA2 GLY 39 2HA GLY 39 -4.707 1.390 14.226 315 HA3 GLY 39 3HA GLY 39 -6.360 1.487 13.611 316 H THR 40 H THR 40 -7.964 0.568 15.451 317 HA THR 40 HA THR 40 -9.084 1.367 17.362 318 HB THR 40 HB THR 40 -7.621 0.907 19.465 319 HG1 THR 40 HG1 THR 40 -5.650 1.085 18.216 320 HG21 THR 40 3HG2 THR 40 -9.303 -0.664 18.500 321 HG22 THR 40 1HG2 THR 40 -7.914 -1.502 19.194 322 HG23 THR 40 2HG2 THR 40 -8.048 -1.315 17.445 323 H GLU 41 H GLU 41 -9.358 3.568 17.062 324 HA GLU 41 HA GLU 41 -9.045 5.855 17.393 325 HB2 GLU 41 2HB GLU 41 -7.490 4.747 19.744 326 HB3 GLU 41 3HB GLU 41 -7.855 6.458 19.532 327 HG2 GLU 41 2HG GLU 41 -10.259 5.965 19.498 328 HG3 GLU 41 3HG GLU 41 -9.921 4.241 19.651 329 H ALA 42 H ALA 42 -7.859 6.393 15.550 330 HA ALA 42 HA ALA 42 -4.980 6.930 16.014 331 HB1 ALA 42 3HB ALA 42 -6.084 5.046 13.941 332 HB2 ALA 42 1HB ALA 42 -4.685 4.841 14.993 333 HB3 ALA 42 2HB ALA 42 -4.600 5.941 13.615 334 H GLU 43 H GLU 43 -4.194 8.625 14.733 335 HA GLU 43 HA GLU 43 -6.281 10.283 13.425 336 HB2 GLU 43 2HB GLU 43 -4.577 12.070 13.514 337 HB3 GLU 43 3HB GLU 43 -4.856 11.364 15.106 338 HG2 GLU 43 2HG GLU 43 -2.871 9.901 14.775 339 HG3 GLU 43 3HG GLU 43 -2.568 10.696 13.229 340 H VAL 44 H VAL 44 -5.657 11.389 11.367 341 HA VAL 44 HA VAL 44 -5.033 9.552 9.318 342 HB VAL 44 HB VAL 44 -6.183 11.773 9.052 343 HG11 VAL 44 1HG1 VAL 44 -3.442 13.021 8.902 344 HG12 VAL 44 2HG1 VAL 44 -4.283 12.916 10.448 345 HG13 VAL 44 3HG1 VAL 44 -5.008 13.802 9.108 346 HG21 VAL 44 3HG2 VAL 44 -5.356 12.169 6.831 347 HG22 VAL 44 1HG2 VAL 44 -5.167 10.444 7.136 348 HG23 VAL 44 2HG2 VAL 44 -3.771 11.516 7.237 349 H GLU 45 H GLU 45 -3.125 8.622 8.783 350 HA GLU 45 HA GLU 45 -0.654 10.069 8.539 351 HB2 GLU 45 2HB GLU 45 -0.735 9.936 11.024 352 HB3 GLU 45 3HB GLU 45 -0.792 8.178 10.901 353 HG2 GLU 45 2HG GLU 45 1.378 8.152 9.771 354 HG3 GLU 45 3HG GLU 45 1.425 9.915 9.774 355 HA PRO 46 HA PRO 46 -1.038 5.935 6.423 356 HB2 PRO 46 2HB PRO 46 -0.384 6.793 3.900 357 HB3 PRO 46 3HB PRO 46 -2.035 6.837 4.547 358 HG2 PRO 46 2HG PRO 46 -0.045 9.043 4.281 359 HG3 PRO 46 3HG PRO 46 -1.802 9.072 4.044 360 HD2 PRO 46 2HD PRO 46 -0.555 10.001 6.316 361 HD3 PRO 46 3HD PRO 46 -2.231 9.407 6.296 362 H GLU 47 H GLU 47 0.670 4.610 5.454 363 HA GLU 47 HA GLU 47 2.878 3.865 5.259 364 HB2 GLU 47 2HB GLU 47 3.765 6.747 5.212 365 HB3 GLU 47 3HB GLU 47 4.525 5.354 4.453 366 HG2 GLU 47 2HG GLU 47 1.978 6.760 3.631 367 HG3 GLU 47 3HG GLU 47 3.435 6.492 2.679 368 HA PRO 48 HA PRO 48 3.202 4.363 9.856 369 HB2 PRO 48 2HB PRO 48 4.597 1.753 9.329 370 HB3 PRO 48 3HB PRO 48 3.432 2.168 10.604 371 HG2 PRO 48 2HG PRO 48 2.672 0.730 8.521 372 HG3 PRO 48 3HG PRO 48 1.614 2.001 9.166 373 HD2 PRO 48 2HD PRO 48 3.309 2.045 6.689 374 HD3 PRO 48 3HD PRO 48 1.701 2.752 6.968 375 H GLY 49 H GLY 49 4.871 5.227 10.973 376 HA2 GLY 49 2HA GLY 49 7.472 4.863 11.250 377 HA3 GLY 49 3HA GLY 49 7.499 5.510 9.610 378 H GLY 50 H GLY 50 4.989 7.079 10.520 379 HA2 GLY 50 2HA GLY 50 6.480 9.472 11.344 380 HA3 GLY 50 3HA GLY 50 4.764 9.405 10.929 381 H LEU 51 H LEU 51 4.464 10.724 12.882 382 HA LEU 51 HA LEU 51 5.156 9.877 15.496 383 HB2 LEU 51 2HB LEU 51 3.987 12.102 14.476 384 HB3 LEU 51 3HB LEU 51 2.552 11.316 15.116 385 HG LEU 51 HG LEU 51 3.471 12.781 16.822 386 HD11 LEU 51 1HD1 LEU 51 3.434 11.279 18.605 387 HD12 LEU 51 2HD1 LEU 51 4.350 10.055 17.733 388 HD13 LEU 51 3HD1 LEU 51 2.654 10.336 17.337 389 HD21 LEU 51 3HD2 LEU 51 5.696 13.013 17.292 390 HD22 LEU 51 1HD2 LEU 51 5.947 12.252 15.724 391 HD23 LEU 51 2HD2 LEU 51 6.015 11.283 17.194 392 H TYR 52 H TYR 52 4.223 8.474 16.922 393 HA TYR 52 HA TYR 52 2.873 6.198 16.248 394 HB2 TYR 52 2HB TYR 52 2.542 7.849 18.768 395 HB3 TYR 52 3HB TYR 52 1.957 6.193 18.599 396 HD1 TYR 52 HD2 TYR 52 3.609 4.358 18.034 397 HD2 TYR 52 HD1 TYR 52 4.839 8.300 19.212 398 HE1 TYR 52 HE2 TYR 52 5.874 3.495 18.554 399 HE2 TYR 52 HE1 TYR 52 7.107 7.438 19.732 400 HH TYR 52 HH TYR 52 7.796 4.135 19.996 401 H LEU 53 H LEU 53 0.828 5.611 15.685 402 HA LEU 53 HA LEU 53 -1.043 7.698 14.933 403 HB2 LEU 53 2HB LEU 53 -0.989 4.692 14.821 404 HB3 LEU 53 3HB LEU 53 -2.495 5.544 14.489 405 HG LEU 53 HG LEU 53 -1.421 6.827 12.711 406 HD11 LEU 53 1HD1 LEU 53 0.807 7.103 13.533 407 HD12 LEU 53 2HD1 LEU 53 0.956 6.127 12.072 408 HD13 LEU 53 3HD1 LEU 53 1.051 5.360 13.657 409 HD21 LEU 53 3HD2 LEU 53 -0.964 3.835 12.623 410 HD22 LEU 53 1HD2 LEU 53 -0.758 4.875 11.213 411 HD23 LEU 53 2HD2 LEU 53 -2.340 4.732 11.983 412 H VAL 54 H VAL 54 -2.542 8.589 16.215 413 HA VAL 54 HA VAL 54 -3.990 6.979 18.195 414 HB VAL 54 HB VAL 54 -3.515 8.618 20.038 415 HG11 VAL 54 1HG1 VAL 54 -1.502 7.549 20.728 416 HG12 VAL 54 2HG1 VAL 54 -0.976 7.300 19.064 417 HG13 VAL 54 3HG1 VAL 54 -2.328 6.370 19.709 418 HG21 VAL 54 3HG2 VAL 54 -2.697 10.461 18.604 419 HG22 VAL 54 1HG2 VAL 54 -1.292 9.489 18.166 420 HG23 VAL 54 2HG2 VAL 54 -1.506 10.030 19.831 421 H ASN 55 H ASN 55 -5.959 8.009 18.814 422 HA ASN 55 HA ASN 55 -6.804 10.137 16.926 423 HB2 ASN 55 2HB ASN 55 -8.130 8.001 17.332 424 HB3 ASN 55 3HB ASN 55 -8.509 8.640 18.931 425 HD21 ASN 55 1HD2 ASN 55 -10.754 9.023 18.548 426 HD22 ASN 55 2HD2 ASN 55 -11.315 10.165 17.423 427 H VAL 56 H VAL 56 -5.172 10.342 19.618 428 HA VAL 56 HA VAL 56 -6.757 11.854 21.450 429 HB VAL 56 HB VAL 56 -3.773 11.851 20.909 430 HG11 VAL 56 1HG1 VAL 56 -5.405 13.248 23.042 431 HG12 VAL 56 2HG1 VAL 56 -4.224 13.962 21.943 432 HG13 VAL 56 3HG1 VAL 56 -3.688 12.895 23.241 433 HG21 VAL 56 3HG2 VAL 56 -5.470 10.635 23.113 434 HG22 VAL 56 1HG2 VAL 56 -3.716 10.506 22.977 435 HG23 VAL 56 2HG2 VAL 56 -4.753 9.744 21.770 436 H THR 57 H THR 57 -4.659 12.906 18.751 437 HA THR 57 HA THR 57 -6.212 15.456 18.655 438 HB THR 57 HB THR 57 -4.328 16.261 19.790 439 HG1 THR 57 HG1 THR 57 -3.152 16.418 17.273 440 HG21 THR 57 3HG2 THR 57 -2.988 14.297 19.941 441 HG22 THR 57 1HG2 THR 57 -1.986 15.495 19.123 442 HG23 THR 57 2HG2 THR 57 -2.772 14.221 18.191 443 H GLY 58 H GLY 58 -7.107 15.388 16.665 444 HA2 GLY 58 2HA GLY 58 -5.733 14.022 14.438 445 HA3 GLY 58 3HA GLY 58 -7.358 14.704 14.394 446 H ALA 59 H ALA 59 -4.397 15.101 13.095 447 HA ALA 59 HA ALA 59 -4.967 17.655 11.947 448 HB1 ALA 59 3HB ALA 59 -4.467 18.657 14.067 449 HB2 ALA 59 1HB ALA 59 -3.043 18.902 13.059 450 HB3 ALA 59 2HB ALA 59 -3.045 17.636 14.286 451 H ARG 60 H ARG 60 -1.907 16.287 13.170 452 HA ARG 60 HA ARG 60 -1.202 15.239 10.531 453 HB2 ARG 60 2HB ARG 60 0.800 16.675 10.269 454 HB3 ARG 60 3HB ARG 60 -0.689 17.617 10.206 455 HG2 ARG 60 2HG ARG 60 -0.409 18.240 12.575 456 HG3 ARG 60 3HG ARG 60 1.074 17.288 12.658 457 HD2 ARG 60 2HD ARG 60 1.646 19.630 12.298 458 HD3 ARG 60 3HD ARG 60 2.044 18.704 10.850 459 HE ARG 60 HE ARG 60 -0.622 19.744 10.631 460 HH11 ARG 60 1HH2 ARG 60 2.715 20.628 10.602 461 HH12 ARG 60 2HH2 ARG 60 2.477 21.995 9.564 462 HH21 ARG 60 1HH1 ARG 60 -0.947 21.520 9.277 463 HH22 ARG 60 2HH1 ARG 60 0.405 22.499 8.816 464 H PHE 61 H PHE 61 1.477 14.905 10.811 465 HA PHE 61 HA PHE 61 1.924 13.745 13.531 466 HB2 PHE 61 2HB PHE 61 2.976 11.749 12.366 467 HB3 PHE 61 3HB PHE 61 1.222 11.851 12.236 468 HD1 PHE 61 HD2 PHE 61 0.217 12.904 10.134 469 HD2 PHE 61 HD1 PHE 61 4.336 11.725 10.425 470 HE1 PHE 61 HE2 PHE 61 0.391 12.903 7.661 471 HE2 PHE 61 HE1 PHE 61 4.511 11.724 7.951 472 HZ PHE 61 HZ PHE 61 2.538 12.313 6.569 473 H ALA 62 H ALA 62 3.186 15.784 13.617 474 HA ALA 62 HA ALA 62 5.150 17.058 13.340 475 HB1 ALA 62 3HB ALA 62 5.783 15.180 14.869 476 HB2 ALA 62 1HB ALA 62 7.140 15.798 13.929 477 HB3 ALA 62 2HB ALA 62 6.364 14.285 13.467 478 H ARG 63 H ARG 63 4.536 17.546 11.048 479 HA ARG 63 HA ARG 63 6.777 16.965 9.285 480 HB2 ARG 63 2HB ARG 63 5.370 14.925 8.962 481 HB3 ARG 63 3HB ARG 63 4.032 15.956 8.458 482 HG2 ARG 63 2HG ARG 63 5.454 16.852 6.619 483 HG3 ARG 63 3HG ARG 63 6.745 15.763 7.110 484 HD2 ARG 63 2HD ARG 63 5.169 13.839 6.743 485 HD3 ARG 63 3HD ARG 63 4.005 14.986 6.077 486 HE ARG 63 HE ARG 63 6.494 15.332 4.728 487 HH11 ARG 63 1HH2 ARG 63 3.896 13.098 5.131 488 HH12 ARG 63 2HH2 ARG 63 4.089 12.391 3.561 489 HH21 ARG 63 1HH1 ARG 63 6.761 14.424 2.682 490 HH22 ARG 63 2HH1 ARG 63 5.712 13.142 2.175 491 H GLY 64 H GLY 64 3.425 17.643 8.325 492 HA2 GLY 64 2HA GLY 64 2.434 19.642 7.585 493 HA3 GLY 64 3HA GLY 64 3.753 20.517 8.358 494 H SER 65 H SER 65 4.290 18.005 5.956 495 HA SER 65 HA SER 65 4.691 19.955 3.789 496 HB2 SER 65 2HB SER 65 6.803 20.199 4.959 497 HB3 SER 65 3HB SER 65 7.000 18.453 5.058 498 HG SER 65 HG SER 65 7.836 20.037 3.160 499 H PHE 66 H PHE 66 3.257 18.699 2.564 500 HA PHE 66 HA PHE 66 3.716 15.801 2.253 501 HB2 PHE 66 2HB PHE 66 1.664 17.746 1.184 502 HB3 PHE 66 3HB PHE 66 1.750 16.082 0.608 503 HD1 PHE 66 HD2 PHE 66 1.584 14.191 2.296 504 HD2 PHE 66 HD1 PHE 66 0.652 18.267 3.278 505 HE1 PHE 66 HE2 PHE 66 0.334 13.422 4.294 506 HE2 PHE 66 HE1 PHE 66 -0.598 17.499 5.277 507 HZ PHE 66 HZ PHE 66 -0.758 15.076 5.784 508 H ARG 67 H ARG 67 4.539 14.807 0.442 509 HA ARG 67 HA ARG 67 6.205 16.411 -1.334 510 HB2 ARG 67 2HB ARG 67 6.870 14.136 -0.556 511 HB3 ARG 67 3HB ARG 67 5.527 13.454 -1.467 512 HG2 ARG 67 2HG ARG 67 6.480 14.390 -3.554 513 HG3 ARG 67 3HG ARG 67 7.834 15.040 -2.634 514 HD2 ARG 67 2HD ARG 67 8.357 12.694 -1.893 515 HD3 ARG 67 3HD ARG 67 7.111 12.122 -3.001 516 HE ARG 67 HE ARG 67 9.061 13.847 -4.304 517 HH11 ARG 67 1HH2 ARG 67 8.301 10.657 -3.218 518 HH12 ARG 67 2HH2 ARG 67 9.348 9.881 -4.360 519 HH21 ARG 67 1HH1 ARG 67 10.421 12.849 -5.798 520 HH22 ARG 67 2HH1 ARG 67 10.545 11.120 -5.820 521 H GLU 68 H GLU 68 4.002 13.830 -2.378 522 HA GLU 68 HA GLU 68 2.565 15.735 -4.158 523 HB2 GLU 68 2HB GLU 68 4.248 13.405 -5.091 524 HB3 GLU 68 3HB GLU 68 2.922 14.037 -6.069 525 HG2 GLU 68 2HG GLU 68 3.948 16.257 -6.078 526 HG3 GLU 68 3HG GLU 68 5.246 15.690 -5.031 527 H VAL 69 H VAL 69 0.459 15.169 -4.393 528 HA VAL 69 HA VAL 69 -0.396 12.428 -3.516 529 HB VAL 69 HB VAL 69 -1.768 15.075 -2.959 530 HG11 VAL 69 1HG1 VAL 69 -3.487 13.475 -3.205 531 HG12 VAL 69 2HG1 VAL 69 -3.179 13.489 -1.471 532 HG13 VAL 69 3HG1 VAL 69 -2.527 12.194 -2.472 533 HG21 VAL 69 3HG2 VAL 69 -1.226 14.582 -0.609 534 HG22 VAL 69 1HG2 VAL 69 0.247 14.669 -1.576 535 HG23 VAL 69 2HG2 VAL 69 -0.403 13.100 -1.100 536 H VAL 70 H VAL 70 -1.668 11.414 -4.960 537 HA VAL 70 HA VAL 70 -3.186 13.020 -6.972 538 HB VAL 70 HB VAL 70 -1.889 10.447 -7.829 539 HG11 VAL 70 1HG1 VAL 70 -2.074 11.414 -10.001 540 HG12 VAL 70 2HG1 VAL 70 -2.292 13.036 -9.342 541 HG13 VAL 70 3HG1 VAL 70 -3.576 11.841 -9.181 542 HG21 VAL 70 3HG2 VAL 70 -0.518 13.143 -7.590 543 HG22 VAL 70 1HG2 VAL 70 0.070 11.842 -8.627 544 HG23 VAL 70 2HG2 VAL 70 -0.000 11.612 -6.881 545 HA PRO 71 HA PRO 71 -5.985 10.174 -4.638 546 HB2 PRO 71 2HB PRO 71 -7.948 11.745 -6.272 547 HB3 PRO 71 3HB PRO 71 -7.990 11.337 -4.543 548 HG2 PRO 71 2HG PRO 71 -7.343 13.783 -5.349 549 HG3 PRO 71 3HG PRO 71 -6.511 13.023 -3.978 550 HD2 PRO 71 2HD PRO 71 -5.528 13.443 -6.777 551 HD3 PRO 71 3HD PRO 71 -4.629 13.490 -5.243 552 H VAL 72 H VAL 72 -7.246 8.401 -5.235 553 HA VAL 72 HA VAL 72 -7.471 6.467 -6.561 554 HB VAL 72 HB VAL 72 -9.178 6.845 -8.341 555 HG11 VAL 72 1HG1 VAL 72 -9.693 6.677 -5.858 556 HG12 VAL 72 2HG1 VAL 72 -10.914 7.507 -6.822 557 HG13 VAL 72 3HG1 VAL 72 -9.785 8.439 -5.839 558 HG21 VAL 72 3HG2 VAL 72 -9.988 9.054 -8.817 559 HG22 VAL 72 1HG2 VAL 72 -8.237 9.112 -9.009 560 HG23 VAL 72 2HG2 VAL 72 -8.988 9.764 -7.551 561 H HIS 73 H HIS 73 -4.986 7.812 -7.147 562 HA HIS 73 HA HIS 73 -4.577 6.753 -9.895 563 HB2 HIS 73 2HB HIS 73 -3.867 9.546 -8.981 564 HB3 HIS 73 3HB HIS 73 -3.104 8.782 -10.374 565 HD1 HIS 73 HD1 HIS 73 -6.069 10.666 -9.386 566 HD2 HIS 73 HD2 HIS 73 -5.094 8.002 -12.441 567 HE1 HIS 73 HE1 HIS 73 -7.839 10.948 -11.175 568 H ARG 74 H ARG 74 -2.545 8.696 -7.702 569 HA ARG 74 HA ARG 74 -1.013 6.332 -6.882 570 HB2 ARG 74 2HB ARG 74 1.131 7.216 -7.790 571 HB3 ARG 74 3HB ARG 74 -0.006 6.779 -9.063 572 HG2 ARG 74 2HG ARG 74 -0.672 9.128 -9.303 573 HG3 ARG 74 3HG ARG 74 0.417 9.587 -7.995 574 HD2 ARG 74 2HD ARG 74 2.336 8.742 -9.312 575 HD3 ARG 74 3HD ARG 74 1.239 8.323 -10.627 576 HE ARG 74 HE ARG 74 0.822 11.058 -10.045 577 HH11 ARG 74 1HH2 ARG 74 3.294 8.920 -11.144 578 HH12 ARG 74 2HH2 ARG 74 4.080 10.117 -12.118 579 HH21 ARG 74 1HH1 ARG 74 1.836 12.635 -11.310 580 HH22 ARG 74 2HH1 ARG 74 3.255 12.219 -12.212 581 H LEU 75 H LEU 75 0.563 6.866 -5.220 582 HA LEU 75 HA LEU 75 0.266 9.601 -4.034 583 HB2 LEU 75 2HB LEU 75 0.085 6.948 -2.572 584 HB3 LEU 75 3HB LEU 75 0.135 8.527 -1.795 585 HG LEU 75 HG LEU 75 -1.979 7.693 -3.803 586 HD11 LEU 75 1HD1 LEU 75 -2.172 6.327 -1.789 587 HD12 LEU 75 2HD1 LEU 75 -3.464 7.528 -1.805 588 HD13 LEU 75 3HD1 LEU 75 -2.055 7.763 -0.772 589 HD21 LEU 75 3HD2 LEU 75 -3.134 9.700 -2.532 590 HD22 LEU 75 1HD2 LEU 75 -1.975 10.039 -3.811 591 HD23 LEU 75 2HD2 LEU 75 -1.481 10.149 -2.123 592 H ALA 76 H ALA 76 2.089 10.333 -2.904 593 HA ALA 76 HA ALA 76 4.459 8.553 -2.731 594 HB1 ALA 76 3HB ALA 76 4.580 11.241 -4.126 595 HB2 ALA 76 1HB ALA 76 4.503 9.701 -4.982 596 HB3 ALA 76 2HB ALA 76 5.888 10.070 -3.954 597 H TYR 77 H TYR 77 5.080 8.799 -0.662 598 HA TYR 77 HA TYR 77 4.958 11.534 0.579 599 HB2 TYR 77 2HB TYR 77 4.584 8.835 1.914 600 HB3 TYR 77 3HB TYR 77 4.556 10.401 2.727 601 HD1 TYR 77 HD1 TYR 77 2.876 12.170 1.776 602 HD2 TYR 77 HD2 TYR 77 2.579 7.944 1.070 603 HE1 TYR 77 HE1 TYR 77 0.476 12.431 1.210 604 HE2 TYR 77 HE2 TYR 77 0.178 8.205 0.511 605 HH TYR 77 HH TYR 77 -1.381 9.828 -0.162 606 H SER 78 H SER 78 6.830 12.253 1.477 607 HA SER 78 HA SER 78 9.174 10.374 1.536 608 HB2 SER 78 2HB SER 78 9.629 12.133 -0.010 609 HB3 SER 78 3HB SER 78 8.953 13.354 1.064 610 HG SER 78 HG SER 78 11.422 12.781 0.891 611 H PHE 79 H PHE 79 9.819 9.850 3.574 612 HA PHE 79 HA PHE 79 9.934 11.888 5.666 613 HB2 PHE 79 2HB PHE 79 8.441 10.756 7.238 614 HB3 PHE 79 3HB PHE 79 7.556 11.186 5.776 615 HD1 PHE 79 HD2 PHE 79 6.842 9.474 4.176 616 HD2 PHE 79 HD1 PHE 79 8.994 8.428 7.743 617 HE1 PHE 79 HE2 PHE 79 6.213 7.096 3.857 618 HE2 PHE 79 HE1 PHE 79 8.363 6.049 7.425 619 HZ PHE 79 HZ PHE 79 6.973 5.385 5.482 620 H GLY 80 H GLY 80 11.735 11.436 6.843 621 HA2 GLY 80 2HA GLY 80 12.398 8.839 7.839 622 HA3 GLY 80 3HA GLY 80 13.345 9.149 6.383 623 H TRP 81 H TRP 81 15.029 8.903 8.252 624 HA TRP 81 HA TRP 81 16.763 9.934 9.427 625 HB2 TRP 81 2HB TRP 81 15.705 12.630 8.607 626 HB3 TRP 81 3HB TRP 81 17.376 12.117 8.831 627 HD1 TRP 81 HD1 TRP 81 15.120 12.942 6.177 628 HE1 TRP 81 HE1 TRP 81 15.794 11.847 3.945 629 HE3 TRP 81 HE3 TRP 81 18.421 9.426 7.873 630 HZ2 TRP 81 HZ2 TRP 81 17.503 9.760 3.000 631 HZ3 TRP 81 HZ3 TRP 81 19.554 7.902 6.284 632 HH2 TRP 81 HH2 TRP 81 19.102 8.065 3.853 633 H ASP 82 H ASP 82 17.180 11.130 11.388 634 HA ASP 82 HA ASP 82 16.635 11.731 13.581 635 HB2 ASP 82 2HB ASP 82 15.755 13.733 12.281 636 HB3 ASP 82 3HB ASP 82 14.160 12.982 12.357 637 H GLY 83 H GLY 83 15.526 9.219 12.339 638 HA2 GLY 83 2HA GLY 83 12.920 8.834 13.617 639 HA3 GLY 83 3HA GLY 83 13.847 7.601 12.763 640 H SER 84 H SER 84 12.923 6.474 14.827 641 HA SER 84 HA SER 84 14.356 6.984 17.321 642 HB2 SER 84 2HB SER 84 13.110 5.084 18.179 643 HB3 SER 84 3HB SER 84 12.022 6.088 17.225 644 HG SER 84 HG SER 84 12.122 4.637 15.582 645 H GLU 85 H GLU 85 15.387 4.945 18.397 646 HA GLU 85 HA GLU 85 17.843 4.358 17.354 647 HB2 GLU 85 2HB GLU 85 17.088 3.658 19.606 648 HB3 GLU 85 3HB GLU 85 16.114 2.383 18.874 649 HG2 GLU 85 2HG GLU 85 18.115 1.333 17.949 650 HG3 GLU 85 3HG GLU 85 19.118 2.647 18.563 651 H VAL 86 H VAL 86 18.446 3.556 15.460 652 HA VAL 86 HA VAL 86 18.380 2.380 13.419 653 HB VAL 86 HB VAL 86 17.318 0.200 15.241 654 HG11 VAL 86 1HG1 VAL 86 18.558 -1.241 13.556 655 HG12 VAL 86 2HG1 VAL 86 18.712 0.200 12.551 656 HG13 VAL 86 3HG1 VAL 86 17.113 -0.443 12.933 657 HG21 VAL 86 3HG2 VAL 86 19.621 -0.374 15.673 658 HG22 VAL 86 1HG2 VAL 86 19.445 1.348 16.015 659 HG23 VAL 86 2HG2 VAL 86 20.194 0.821 14.508 660 H VAL 87 H VAL 87 16.634 3.703 12.588 661 HA VAL 87 HA VAL 87 13.983 3.737 12.784 662 HB VAL 87 HB VAL 87 13.863 3.560 10.179 663 HG11 VAL 87 1HG1 VAL 87 13.917 5.681 11.398 664 HG12 VAL 87 2HG1 VAL 87 14.975 5.778 9.992 665 HG13 VAL 87 3HG1 VAL 87 15.665 5.549 11.598 666 HG21 VAL 87 3HG2 VAL 87 15.936 3.535 9.016 667 HG22 VAL 87 1HG2 VAL 87 16.071 2.217 10.180 668 HG23 VAL 87 2HG2 VAL 87 16.868 3.760 10.497 669 HA PRO 88 HA PRO 88 13.263 -0.807 12.985 670 HB2 PRO 88 2HB PRO 88 10.579 0.097 13.894 671 HB3 PRO 88 3HB PRO 88 11.690 -1.050 14.640 672 HG2 PRO 88 2HG PRO 88 11.290 1.458 15.603 673 HG3 PRO 88 3HG PRO 88 12.809 0.567 15.802 674 HD2 PRO 88 2HD PRO 88 12.211 2.871 14.012 675 HD3 PRO 88 3HD PRO 88 13.754 2.359 14.705 676 HA PRO 89 HA PRO 89 9.752 -0.331 9.838 677 HB2 PRO 89 2HB PRO 89 8.777 2.088 9.125 678 HB3 PRO 89 3HB PRO 89 8.237 1.260 10.600 679 HG2 PRO 89 2HG PRO 89 10.118 3.544 10.294 680 HG3 PRO 89 3HG PRO 89 8.959 3.199 11.586 681 HD2 PRO 89 2HD PRO 89 11.707 2.691 11.695 682 HD3 PRO 89 3HD PRO 89 10.495 2.027 12.790 683 H GLY 90 H GLY 90 12.544 1.602 9.802 684 HA2 GLY 90 2HA GLY 90 14.150 1.454 7.983 685 HA3 GLY 90 3HA GLY 90 12.813 1.233 6.857 686 H SER 91 H SER 91 11.247 3.401 8.119 687 HA SER 91 HA SER 91 10.822 5.608 7.351 688 HB2 SER 91 2HB SER 91 12.431 5.435 9.603 689 HB3 SER 91 3HB SER 91 13.279 6.617 8.615 690 HG SER 91 HG SER 91 10.940 6.833 9.965 691 H SER 92 H SER 92 11.099 5.707 5.115 692 HA SER 92 HA SER 92 13.531 7.084 4.196 693 HB2 SER 92 2HB SER 92 13.917 4.526 4.101 694 HB3 SER 92 3HB SER 92 12.761 4.538 2.772 695 HG SER 92 HG SER 92 14.766 6.462 2.733 696 H LEU 93 H LEU 93 12.604 5.915 1.436 697 HA LEU 93 HA LEU 93 10.494 7.985 1.004 698 HB2 LEU 93 2HB LEU 93 12.593 8.100 -0.365 699 HB3 LEU 93 3HB LEU 93 12.204 6.513 -1.027 700 HG LEU 93 HG LEU 93 10.070 7.412 -1.906 701 HD11 LEU 93 1HD1 LEU 93 10.114 10.078 -1.969 702 HD12 LEU 93 2HD1 LEU 93 11.028 9.877 -0.478 703 HD13 LEU 93 3HD1 LEU 93 9.398 9.220 -0.610 704 HD21 LEU 93 3HD2 LEU 93 12.149 7.405 -3.273 705 HD22 LEU 93 1HD2 LEU 93 12.494 9.044 -2.721 706 HD23 LEU 93 2HD2 LEU 93 11.070 8.728 -3.713 707 H VAL 94 H VAL 94 8.459 7.293 0.724 708 HA VAL 94 HA VAL 94 7.982 4.437 -0.078 709 HB VAL 94 HB VAL 94 6.261 6.314 1.570 710 HG11 VAL 94 1HG1 VAL 94 5.854 3.505 0.528 711 HG12 VAL 94 2HG1 VAL 94 4.775 4.894 0.387 712 HG13 VAL 94 3HG1 VAL 94 4.992 4.102 1.945 713 HG21 VAL 94 3HG2 VAL 94 6.737 4.465 3.311 714 HG22 VAL 94 1HG2 VAL 94 8.051 5.582 2.948 715 HG23 VAL 94 2HG2 VAL 94 8.046 3.968 2.240 716 H GLU 95 H GLU 95 6.873 4.122 -1.933 717 HA GLU 95 HA GLU 95 5.263 6.375 -3.071 718 HB2 GLU 95 2HB GLU 95 7.328 4.679 -4.501 719 HB3 GLU 95 3HB GLU 95 6.150 5.696 -5.333 720 HG2 GLU 95 2HG GLU 95 7.011 7.682 -4.190 721 HG3 GLU 95 3HG GLU 95 8.147 6.687 -3.277 722 H ILE 96 H ILE 96 3.271 5.702 -3.586 723 HA ILE 96 HA ILE 96 2.794 2.775 -4.076 724 HB ILE 96 HB ILE 96 1.039 4.783 -2.630 725 HG12 ILE 96 2HG1 ILE 96 2.296 2.219 -1.614 726 HG13 ILE 96 3HG1 ILE 96 3.030 3.807 -1.393 727 HG21 ILE 96 1HG2 ILE 96 -0.410 3.341 -3.858 728 HG22 ILE 96 2HG2 ILE 96 -0.356 2.677 -2.225 729 HG23 ILE 96 3HG2 ILE 96 0.587 1.927 -3.513 730 HD11 ILE 96 3HD1 ILE 96 1.230 4.573 -0.047 731 HD12 ILE 96 1HD1 ILE 96 1.559 2.938 0.529 732 HD13 ILE 96 2HD1 ILE 96 0.188 3.237 -0.540 733 H ASP 97 H ASP 97 1.763 2.341 -5.962 734 HA ASP 97 HA ASP 97 0.463 4.617 -7.433 735 HB2 ASP 97 2HB ASP 97 2.167 2.340 -8.463 736 HB3 ASP 97 3HB ASP 97 1.167 3.348 -9.513 737 H LEU 98 H LEU 98 -1.581 4.243 -8.133 738 HA LEU 98 HA LEU 98 -2.754 1.525 -7.651 739 HB2 LEU 98 2HB LEU 98 -4.143 4.207 -7.940 740 HB3 LEU 98 3HB LEU 98 -4.898 2.682 -7.479 741 HG LEU 98 HG LEU 98 -2.733 4.119 -5.916 742 HD11 LEU 98 1HD1 LEU 98 -5.718 3.826 -5.500 743 HD12 LEU 98 2HD1 LEU 98 -4.810 5.321 -5.723 744 HD13 LEU 98 3HD1 LEU 98 -4.612 4.381 -4.243 745 HD21 LEU 98 3HD2 LEU 98 -4.141 1.472 -5.579 746 HD22 LEU 98 1HD2 LEU 98 -3.587 2.355 -4.156 747 HD23 LEU 98 2HD2 LEU 98 -2.429 1.852 -5.382 748 H ILE 99 H ILE 99 -3.398 0.387 -9.405 749 HA ILE 99 HA ILE 99 -3.892 1.852 -11.975 750 HB ILE 99 HB ILE 99 -2.390 -0.768 -11.652 751 HG12 ILE 99 2HG1 ILE 99 -0.651 0.924 -12.909 752 HG13 ILE 99 3HG1 ILE 99 -1.529 2.097 -11.934 753 HG21 ILE 99 1HG2 ILE 99 -3.203 0.873 -14.064 754 HG22 ILE 99 2HG2 ILE 99 -3.682 -0.780 -13.683 755 HG23 ILE 99 3HG2 ILE 99 -2.013 -0.427 -14.128 756 HD11 ILE 99 3HD1 ILE 99 -0.089 -0.376 -10.922 757 HD12 ILE 99 1HD1 ILE 99 -1.059 0.694 -9.910 758 HD13 ILE 99 2HD1 ILE 99 0.405 1.299 -10.684 759 H GLU 100 H GLU 100 -5.839 1.350 -12.813 760 HA GLU 100 HA GLU 100 -7.457 -0.745 -11.536 761 HB2 GLU 100 2HB GLU 100 -8.343 1.531 -12.200 762 HB3 GLU 100 3HB GLU 100 -8.188 1.021 -13.881 763 HG2 GLU 100 2HG GLU 100 -9.675 -0.894 -13.444 764 HG3 GLU 100 3HG GLU 100 -9.828 -0.385 -11.758 765 H GLN 101 H GLN 101 -7.929 -2.735 -12.441 766 HA GLN 101 HA GLN 101 -7.240 -3.207 -15.306 767 HB2 GLN 101 2HB GLN 101 -6.180 -4.788 -12.950 768 HB3 GLN 101 3HB GLN 101 -6.141 -5.380 -14.611 769 HG2 GLN 101 2HG GLN 101 -4.826 -3.418 -15.295 770 HG3 GLN 101 3HG GLN 101 -4.881 -2.798 -13.644 771 HE21 GLN 101 1HE2 GLN 101 -2.355 -3.074 -14.268 772 HE22 GLN 101 2HE2 GLN 101 -1.668 -4.536 -13.748 773 H GLY 102 H GLY 102 -8.905 -4.228 -16.270 774 HA2 GLY 102 2HA GLY 102 -10.873 -5.475 -16.540 775 HA3 GLY 102 3HA GLY 102 -10.202 -6.544 -15.311 776 H GLY 103 H GLY 103 -10.880 -3.155 -14.654 777 HA2 GLY 103 2HA GLY 103 -12.732 -2.202 -13.480 778 HA3 GLY 103 3HA GLY 103 -13.439 -3.811 -13.331 779 H GLY 104 H GLY 104 -10.725 -4.821 -12.388 780 HA2 GLY 104 2HA GLY 104 -11.214 -4.354 -9.540 781 HA3 GLY 104 3HA GLY 104 -9.963 -5.397 -10.222 782 H THR 105 H THR 105 -9.011 -4.022 -8.229 783 HA THR 105 HA THR 105 -7.571 -1.669 -9.419 784 HB THR 105 HB THR 105 -8.328 -2.103 -6.512 785 HG1 THR 105 HG1 THR 105 -9.861 -1.373 -8.399 786 HG21 THR 105 3HG2 THR 105 -6.226 -0.841 -6.836 787 HG22 THR 105 1HG2 THR 105 -7.508 0.205 -6.235 788 HG23 THR 105 2HG2 THR 105 -7.057 0.254 -7.939 789 H LEU 106 H LEU 106 -5.409 -1.916 -9.484 790 HA LEU 106 HA LEU 106 -4.188 -4.211 -8.018 791 HB2 LEU 106 2HB LEU 106 -3.777 -4.179 -10.426 792 HB3 LEU 106 3HB LEU 106 -3.192 -2.521 -10.331 793 HG LEU 106 HG LEU 106 -1.286 -3.217 -8.979 794 HD11 LEU 106 1HD1 LEU 106 -2.021 -4.986 -7.622 795 HD12 LEU 106 2HD1 LEU 106 -0.990 -5.818 -8.783 796 HD13 LEU 106 3HD1 LEU 106 -2.744 -5.858 -8.974 797 HD21 LEU 106 3HD2 LEU 106 -0.086 -4.419 -10.665 798 HD22 LEU 106 1HD2 LEU 106 -1.285 -3.446 -11.518 799 HD23 LEU 106 2HD2 LEU 106 -1.563 -5.170 -11.273 800 H LEU 107 H LEU 107 -3.060 -3.746 -6.212 801 HA LEU 107 HA LEU 107 -2.300 -0.914 -5.676 802 HB2 LEU 107 2HB LEU 107 -3.643 -2.175 -3.988 803 HB3 LEU 107 3HB LEU 107 -2.317 -3.321 -3.823 804 HG LEU 107 HG LEU 107 -1.530 -0.453 -3.518 805 HD11 LEU 107 1HD1 LEU 107 -3.330 -1.843 -1.518 806 HD12 LEU 107 2HD1 LEU 107 -3.633 -0.313 -2.340 807 HD13 LEU 107 3HD1 LEU 107 -2.349 -0.429 -1.137 808 HD21 LEU 107 3HD2 LEU 107 0.044 -2.313 -3.117 809 HD22 LEU 107 1HD2 LEU 107 -1.035 -2.964 -1.887 810 HD23 LEU 107 2HD2 LEU 107 -0.239 -1.412 -1.630 811 H ARG 108 H ARG 108 -0.234 -0.323 -5.904 812 HA ARG 108 HA ARG 108 1.908 -2.430 -5.865 813 HB2 ARG 108 2HB ARG 108 1.514 -1.463 -8.133 814 HB3 ARG 108 3HB ARG 108 1.861 0.140 -7.480 815 HG2 ARG 108 2HG ARG 108 4.110 -0.588 -6.828 816 HG3 ARG 108 3HG ARG 108 3.771 -2.214 -7.419 817 HD2 ARG 108 2HD ARG 108 3.360 -1.228 -9.692 818 HD3 ARG 108 3HD ARG 108 3.899 0.328 -9.061 819 HE ARG 108 HE ARG 108 5.836 -1.766 -8.555 820 HH11 ARG 108 1HH2 ARG 108 4.549 0.431 -10.882 821 HH12 ARG 108 2HH2 ARG 108 6.013 0.517 -11.804 822 HH21 ARG 108 1HH1 ARG 108 7.750 -1.667 -9.741 823 HH22 ARG 108 2HH1 ARG 108 7.826 -0.673 -11.157 824 H LEU 109 H LEU 109 3.303 -2.142 -4.234 825 HA LEU 109 HA LEU 109 3.622 0.602 -3.050 826 HB2 LEU 109 2HB LEU 109 2.480 -1.048 -1.563 827 HB3 LEU 109 3HB LEU 109 3.898 -2.087 -1.667 828 HG LEU 109 HG LEU 109 4.497 0.732 -0.891 829 HD11 LEU 109 1HD1 LEU 109 3.755 0.423 1.442 830 HD12 LEU 109 2HD1 LEU 109 2.984 -1.099 0.993 831 HD13 LEU 109 3HD1 LEU 109 2.387 0.422 0.330 832 HD21 LEU 109 3HD2 LEU 109 5.226 -1.814 0.571 833 HD22 LEU 109 1HD2 LEU 109 6.122 -0.297 0.489 834 HD23 LEU 109 2HD2 LEU 109 6.047 -1.353 -0.918 835 H THR 110 H THR 110 5.628 1.408 -3.215 836 HA THR 110 HA THR 110 7.930 -0.478 -3.627 837 HB THR 110 HB THR 110 7.505 2.251 -4.884 838 HG1 THR 110 HG1 THR 110 6.827 -0.268 -5.602 839 HG21 THR 110 3HG2 THR 110 9.564 1.582 -6.176 840 HG22 THR 110 1HG2 THR 110 9.747 0.225 -5.064 841 HG23 THR 110 2HG2 THR 110 9.849 1.880 -4.461 842 H HIS 111 H HIS 111 9.561 -0.193 -2.193 843 HA HIS 111 HA HIS 111 9.721 2.392 -0.673 844 HB2 HIS 111 2HB HIS 111 8.678 0.489 0.656 845 HB3 HIS 111 3HB HIS 111 10.226 -0.347 0.520 846 HD1 HIS 111 HD1 HIS 111 8.469 2.042 2.593 847 HD2 HIS 111 HD2 HIS 111 12.458 1.380 1.581 848 HE1 HIS 111 HE1 HIS 111 9.857 3.288 4.306 849 H SER 112 H SER 112 11.798 3.189 -0.482 850 HA SER 112 HA SER 112 14.113 1.405 -0.934 851 HB2 SER 112 2HB SER 112 13.405 2.069 -3.218 852 HB3 SER 112 3HB SER 112 13.548 3.761 -2.757 853 HG SER 112 HG SER 112 15.718 3.521 -2.543 854 H GLY 113 H GLY 113 16.198 2.731 -0.758 855 HA2 GLY 113 2HA GLY 113 17.444 4.536 0.182 856 HA3 GLY 113 3HA GLY 113 15.936 5.300 0.671 857 H LEU 114 H LEU 114 16.594 1.931 1.407 858 HA LEU 114 HA LEU 114 16.280 2.514 4.253 859 HB2 LEU 114 2HB LEU 114 16.878 -0.097 2.839 860 HB3 LEU 114 3HB LEU 114 16.396 0.065 4.522 861 HG LEU 114 HG LEU 114 14.719 1.080 2.205 862 HD11 LEU 114 1HD1 LEU 114 14.382 -1.492 3.770 863 HD12 LEU 114 2HD1 LEU 114 15.056 -1.408 2.143 864 HD13 LEU 114 3HD1 LEU 114 13.382 -0.935 2.429 865 HD21 LEU 114 3HD2 LEU 114 14.004 2.179 4.170 866 HD22 LEU 114 1HD2 LEU 114 14.321 0.774 5.183 867 HD23 LEU 114 2HD2 LEU 114 12.935 0.784 4.098 868 HA PRO 115 HA PRO 115 20.639 2.767 5.137 869 HB2 PRO 115 2HB PRO 115 20.651 2.102 7.793 870 HB3 PRO 115 3HB PRO 115 20.025 3.653 7.196 871 HG2 PRO 115 2HG PRO 115 18.524 1.176 7.937 872 HG3 PRO 115 3HG PRO 115 18.163 2.867 8.334 873 HD2 PRO 115 2HD PRO 115 16.896 1.560 6.311 874 HD3 PRO 115 3HD PRO 115 17.243 3.303 6.237 875 H SER 116 H SER 116 18.839 -0.169 5.718 876 HA SER 116 HA SER 116 21.181 -1.784 4.997 877 HB2 SER 116 2HB SER 116 20.950 -3.209 7.064 878 HB3 SER 116 3HB SER 116 21.593 -1.596 7.362 879 HG SER 116 HG SER 116 19.650 -0.969 8.166 880 H ALA 117 H ALA 117 20.588 -4.014 4.583 881 HA ALA 117 HA ALA 117 17.954 -4.282 3.430 882 HB1 ALA 117 3HB ALA 117 20.089 -5.402 2.616 883 HB2 ALA 117 1HB ALA 117 18.676 -6.450 2.723 884 HB3 ALA 117 2HB ALA 117 19.919 -6.516 3.972 885 H GLU 118 H GLU 118 19.464 -5.433 6.425 886 HA GLU 118 HA GLU 118 17.588 -7.346 7.232 887 HB2 GLU 118 2HB GLU 118 18.275 -6.887 9.516 888 HB3 GLU 118 3HB GLU 118 19.684 -6.728 8.473 889 HG2 GLU 118 2HG GLU 118 19.289 -4.253 8.400 890 HG3 GLU 118 3HG GLU 118 17.992 -4.469 9.577 891 H GLN 119 H GLN 119 17.363 -3.813 7.460 892 HA GLN 119 HA GLN 119 14.874 -3.793 8.910 893 HB2 GLN 119 2HB GLN 119 16.186 -1.739 7.107 894 HB3 GLN 119 3HB GLN 119 14.713 -1.428 8.024 895 HG2 GLN 119 2HG GLN 119 15.913 -1.981 10.120 896 HG3 GLN 119 3HG GLN 119 17.390 -2.248 9.191 897 HE21 GLN 119 1HE2 GLN 119 17.960 -0.347 10.866 898 HE22 GLN 119 2HE2 GLN 119 17.764 1.222 10.246 899 H CYS 120 H CYS 120 15.714 -3.819 5.473 900 HA CYS 120 HA CYS 120 13.077 -3.390 4.462 901 HB2 CYS 120 2HB CYS 120 14.018 -3.784 2.377 902 HB3 CYS 120 3HB CYS 120 15.487 -3.481 3.301 903 HG CYS 120 HG CYS 120 15.878 -6.068 3.442 904 H ALA 121 H ALA 121 14.835 -6.364 5.293 905 HA ALA 121 HA ALA 121 12.879 -8.219 4.383 906 HB1 ALA 121 3HB ALA 121 13.985 -9.816 5.861 907 HB2 ALA 121 1HB ALA 121 14.736 -8.498 6.762 908 HB3 ALA 121 2HB ALA 121 15.203 -8.800 5.088 909 H GLY 122 H GLY 122 13.358 -6.854 7.666 910 HA2 GLY 122 2HA GLY 122 10.995 -8.107 8.740 911 HA3 GLY 122 3HA GLY 122 11.878 -6.778 9.490 912 H HIS 123 H HIS 123 11.649 -4.915 7.343 913 HA HIS 123 HA HIS 123 9.085 -3.780 7.934 914 HB2 HIS 123 2HB HIS 123 11.135 -2.498 7.226 915 HB3 HIS 123 3HB HIS 123 10.890 -3.115 5.592 916 HD1 HIS 123 HD1 HIS 123 8.776 -1.335 8.235 917 HD2 HIS 123 HD2 HIS 123 9.320 -1.418 4.103 918 HE1 HIS 123 HE1 HIS 123 7.236 0.433 7.274 919 H GLU 124 H GLU 124 10.324 -5.581 5.127 920 HA GLU 124 HA GLU 124 8.004 -5.299 3.487 921 HB2 GLU 124 2HB GLU 124 10.182 -6.156 2.662 922 HB3 GLU 124 3HB GLU 124 9.953 -7.621 3.616 923 HG2 GLU 124 2HG GLU 124 7.928 -8.163 2.354 924 HG3 GLU 124 3HG GLU 124 8.073 -6.664 1.441 925 H GLU 125 H GLU 125 8.857 -7.651 5.995 926 HA GLU 125 HA GLU 125 6.633 -9.402 5.607 927 HB2 GLU 125 2HB GLU 125 8.669 -9.874 7.020 928 HB3 GLU 125 3HB GLU 125 8.026 -8.757 8.224 929 HG2 GLU 125 2HG GLU 125 7.347 -10.962 8.893 930 HG3 GLU 125 3HG GLU 125 5.914 -10.167 8.246 931 H GLY 126 H GLY 126 7.046 -6.424 7.491 932 HA2 GLY 126 2HA GLY 126 4.561 -6.512 8.887 933 HA3 GLY 126 3HA GLY 126 5.452 -5.036 8.508 934 H TRP 127 H TRP 127 5.421 -5.179 5.697 935 HA TRP 127 HA TRP 127 2.807 -4.129 5.126 936 HB2 TRP 127 2HB TRP 127 5.166 -4.904 3.401 937 HB3 TRP 127 3HB TRP 127 3.654 -4.343 2.685 938 HD1 TRP 127 HD1 TRP 127 6.820 -3.076 4.075 939 HE1 TRP 127 HE1 TRP 127 6.680 -0.531 4.470 940 HE3 TRP 127 HE3 TRP 127 1.788 -2.383 3.596 941 HZ2 TRP 127 HZ2 TRP 127 4.692 1.530 4.571 942 HZ3 TRP 127 HZ3 TRP 127 0.795 -0.128 3.846 943 HH2 TRP 127 HH2 TRP 127 2.239 1.825 4.331 944 H ALA 128 H ALA 128 4.291 -7.297 4.701 945 HA ALA 128 HA ALA 128 2.380 -8.458 2.962 946 HB1 ALA 128 3HB ALA 128 3.192 -10.576 3.721 947 HB2 ALA 128 1HB ALA 128 3.682 -9.906 5.278 948 HB3 ALA 128 2HB ALA 128 4.567 -9.477 3.814 949 H HIS 129 H HIS 129 2.391 -8.252 6.525 950 HA HIS 129 HA HIS 129 -0.108 -9.622 6.877 951 HB2 HIS 129 2HB HIS 129 1.395 -7.646 8.608 952 HB3 HIS 129 3HB HIS 129 -0.085 -8.447 9.133 953 HD1 HIS 129 HD1 HIS 129 0.034 -11.191 8.986 954 HD2 HIS 129 HD2 HIS 129 3.673 -9.157 9.041 955 HE1 HIS 129 HE1 HIS 129 1.796 -12.890 9.640 956 H TYR 130 H TYR 130 0.677 -6.134 6.745 957 HA TYR 130 HA TYR 130 -2.007 -5.210 7.082 958 HB2 TYR 130 2HB TYR 130 0.498 -4.031 5.888 959 HB3 TYR 130 3HB TYR 130 -1.029 -3.163 5.742 960 HD1 TYR 130 HD1 TYR 130 0.834 -5.077 8.398 961 HD2 TYR 130 HD2 TYR 130 -1.446 -1.572 7.400 962 HE1 TYR 130 HE1 TYR 130 1.102 -4.237 10.717 963 HE2 TYR 130 HE2 TYR 130 -1.178 -0.738 9.717 964 HH TYR 130 HH TYR 130 1.068 -1.859 11.826 965 H LEU 131 H LEU 131 -0.116 -5.858 4.126 966 HA LEU 131 HA LEU 131 -2.190 -5.145 2.296 967 HB2 LEU 131 2HB LEU 131 0.147 -7.052 2.041 968 HB3 LEU 131 3HB LEU 131 -0.897 -6.620 0.692 969 HG LEU 131 HG LEU 131 0.587 -4.579 2.376 970 HD11 LEU 131 1HD1 LEU 131 1.351 -5.724 -0.325 971 HD12 LEU 131 2HD1 LEU 131 2.148 -6.115 1.199 972 HD13 LEU 131 3HD1 LEU 131 2.223 -4.473 0.562 973 HD21 LEU 131 3HD2 LEU 131 -1.110 -3.398 1.272 974 HD22 LEU 131 1HD2 LEU 131 -1.108 -4.481 -0.119 975 HD23 LEU 131 2HD2 LEU 131 0.186 -3.304 0.087 976 H GLY 132 H GLY 132 -1.343 -8.242 3.836 977 HA2 GLY 132 2HA GLY 132 -3.291 -9.815 2.444 978 HA3 GLY 132 3HA GLY 132 -2.594 -10.225 4.014 979 H ARG 133 H ARG 133 -3.427 -8.141 5.603 980 HA ARG 133 HA ARG 133 -6.169 -8.829 6.128 981 HB2 ARG 133 2HB ARG 133 -4.412 -6.576 7.145 982 HB3 ARG 133 3HB ARG 133 -6.048 -6.870 7.737 983 HG2 ARG 133 2HG ARG 133 -5.403 -9.151 8.411 984 HG3 ARG 133 3HG ARG 133 -3.769 -8.871 7.811 985 HD2 ARG 133 2HD ARG 133 -5.081 -7.180 9.953 986 HD3 ARG 133 3HD ARG 133 -4.015 -8.541 10.299 987 HE ARG 133 HE ARG 133 -2.664 -6.798 8.502 988 HH11 ARG 133 1HH2 ARG 133 -3.895 -6.943 11.726 989 HH12 ARG 133 2HH2 ARG 133 -2.720 -5.841 12.363 990 HH21 ARG 133 1HH1 ARG 133 -1.128 -5.361 9.321 991 HH22 ARG 133 2HH1 ARG 133 -1.155 -4.946 11.002 992 H LEU 134 H LEU 134 -4.614 -6.066 4.539 993 HA LEU 134 HA LEU 134 -6.951 -4.468 4.217 994 HB2 LEU 134 2HB LEU 134 -4.690 -3.574 3.861 995 HB3 LEU 134 3HB LEU 134 -4.469 -4.648 2.482 996 HG LEU 134 HG LEU 134 -6.275 -3.527 1.270 997 HD11 LEU 134 1HD1 LEU 134 -7.852 -2.820 2.851 998 HD12 LEU 134 2HD1 LEU 134 -7.090 -1.296 2.407 999 HD13 LEU 134 3HD1 LEU 134 -6.629 -2.106 3.905 1000 HD21 LEU 134 3HD2 LEU 134 -5.191 -1.337 0.973 1001 HD22 LEU 134 1HD2 LEU 134 -3.980 -2.611 1.128 1002 HD23 LEU 134 2HD2 LEU 134 -4.328 -1.550 2.495 1003 H THR 135 H THR 135 -5.504 -6.953 2.125 1004 HA THR 135 HA THR 135 -7.283 -6.673 -0.068 1005 HB THR 135 HB THR 135 -6.099 -9.286 0.908 1006 HG1 THR 135 HG1 THR 135 -4.842 -7.553 -0.901 1007 HG21 THR 135 3HG2 THR 135 -6.782 -8.216 -1.844 1008 HG22 THR 135 1HG2 THR 135 -7.692 -9.441 -0.962 1009 HG23 THR 135 2HG2 THR 135 -6.052 -9.788 -1.512 1010 H GLU 136 H GLU 136 -7.525 -8.656 2.879 1011 HA GLU 136 HA GLU 136 -9.954 -9.983 2.237 1012 HB2 GLU 136 2HB GLU 136 -8.828 -9.100 4.912 1013 HB3 GLU 136 3HB GLU 136 -10.217 -10.173 4.736 1014 HG2 GLU 136 2HG GLU 136 -8.856 -11.802 3.533 1015 HG3 GLU 136 3HG GLU 136 -7.466 -10.716 3.580 1016 H VAL 137 H VAL 137 -9.379 -6.883 3.905 1017 HA VAL 137 HA VAL 137 -12.138 -6.265 4.372 1018 HB VAL 137 HB VAL 137 -9.732 -4.452 4.039 1019 HG11 VAL 137 1HG1 VAL 137 -11.651 -3.084 3.681 1020 HG12 VAL 137 2HG1 VAL 137 -11.230 -2.861 5.379 1021 HG13 VAL 137 3HG1 VAL 137 -12.570 -3.919 4.933 1022 HG21 VAL 137 3HG2 VAL 137 -9.838 -6.208 5.935 1023 HG22 VAL 137 1HG2 VAL 137 -11.146 -5.226 6.596 1024 HG23 VAL 137 2HG2 VAL 137 -9.536 -4.535 6.397 1025 H ALA 138 H ALA 138 -9.921 -5.422 1.725 1026 HA ALA 138 HA ALA 138 -11.714 -3.766 0.266 1027 HB1 ALA 138 3HB ALA 138 -9.665 -5.567 -1.031 1028 HB2 ALA 138 1HB ALA 138 -9.183 -4.162 -0.079 1029 HB3 ALA 138 2HB ALA 138 -10.173 -3.952 -1.518 1030 H ALA 139 H ALA 139 -11.248 -7.280 0.260 1031 HA ALA 139 HA ALA 139 -13.257 -7.627 -1.872 1032 HB1 ALA 139 3HB ALA 139 -11.343 -9.136 -1.847 1033 HB2 ALA 139 1HB ALA 139 -12.805 -10.058 -1.500 1034 HB3 ALA 139 2HB ALA 139 -11.707 -9.619 -0.190 1035 H GLY 140 H GLY 140 -13.332 -7.121 1.449 1036 HA2 GLY 140 2HA GLY 140 -16.061 -7.275 1.823 1037 HA3 GLY 140 3HA GLY 140 -15.529 -8.934 2.100 1038 H ARG 141 H ARG 141 -16.457 -6.475 3.844 1039 HA ARG 141 HA ARG 141 -14.260 -5.960 5.647 1040 HB2 ARG 141 2HB ARG 141 -17.255 -5.633 5.957 1041 HB3 ARG 141 3HB ARG 141 -16.082 -5.080 7.152 1042 HG2 ARG 141 2HG ARG 141 -15.009 -3.658 5.446 1043 HG3 ARG 141 3HG ARG 141 -16.184 -4.204 4.248 1044 HD2 ARG 141 2HD ARG 141 -16.900 -2.793 6.835 1045 HD3 ARG 141 3HD ARG 141 -16.783 -1.997 5.266 1046 HE ARG 141 HE ARG 141 -18.955 -3.757 6.149 1047 HH11 ARG 141 1HH2 ARG 141 -17.198 -2.361 3.530 1048 HH12 ARG 141 2HH2 ARG 141 -18.512 -2.488 2.407 1049 HH21 ARG 141 1HH1 ARG 141 -20.683 -3.924 4.700 1050 HH22 ARG 141 2HH1 ARG 141 -20.483 -3.372 3.069 1051 H ASP 142 H ASP 142 -14.657 -6.465 8.092 1052 HA ASP 142 HA ASP 142 -14.995 -7.984 9.845 1053 HB2 ASP 142 2HB ASP 142 -16.108 -10.046 7.956 1054 HB3 ASP 142 3HB ASP 142 -16.474 -9.777 9.654 1055 HA PRO 143 HA PRO 143 -11.019 -9.753 8.164 1056 HB2 PRO 143 2HB PRO 143 -10.239 -9.023 10.962 1057 HB3 PRO 143 3HB PRO 143 -9.379 -8.721 9.439 1058 HG2 PRO 143 2HG PRO 143 -10.632 -6.753 10.715 1059 HG3 PRO 143 3HG PRO 143 -10.652 -6.850 8.943 1060 HD2 PRO 143 2HD PRO 143 -12.825 -7.566 10.891 1061 HD3 PRO 143 3HD PRO 143 -12.952 -6.782 9.299 1062 H GLY 144 H GLY 144 -10.189 -11.828 8.595 1063 HA2 GLY 144 2HA GLY 144 -11.834 -13.522 10.336 1064 HA3 GLY 144 3HA GLY 144 -10.551 -14.080 9.270 1065 HA PRO 145 HA PRO 145 -7.554 -14.371 12.476 1066 HB2 PRO 145 2HB PRO 145 -6.006 -11.993 11.525 1067 HB3 PRO 145 3HB PRO 145 -5.457 -13.655 11.812 1068 HG2 PRO 145 2HG PRO 145 -5.823 -12.724 9.347 1069 HG3 PRO 145 3HG PRO 145 -6.218 -14.399 9.776 1070 HD2 PRO 145 2HD PRO 145 -8.077 -12.090 9.306 1071 HD3 PRO 145 3HD PRO 145 -8.303 -13.816 8.944 1072 H ASP 146 H ASP 146 -7.342 -13.711 14.539 1073 HA ASP 146 HA ASP 146 -8.449 -11.057 15.308 1074 HB2 ASP 146 2HB ASP 146 -8.135 -13.681 16.772 1075 HB3 ASP 146 3HB ASP 146 -8.477 -12.180 17.627 1076 HA PRO 147 HA PRO 147 -4.181 -11.331 17.436 1077 HB2 PRO 147 2HB PRO 147 -2.263 -12.958 16.374 1078 HB3 PRO 147 3HB PRO 147 -3.435 -13.510 17.584 1079 HG2 PRO 147 2HG PRO 147 -3.325 -14.065 14.679 1080 HG3 PRO 147 3HG PRO 147 -4.023 -15.031 15.988 1081 HD2 PRO 147 2HD PRO 147 -5.433 -13.340 14.177 1082 HD3 PRO 147 3HD PRO 147 -6.102 -14.154 15.606 1083 H PHE 148 H PHE 148 -2.361 -9.981 17.024 1084 HA PHE 148 HA PHE 148 -2.295 -8.836 14.270 1085 HB2 PHE 148 2HB PHE 148 -1.172 -6.914 15.332 1086 HB3 PHE 148 3HB PHE 148 -2.705 -7.267 16.125 1087 HD1 PHE 148 HD1 PHE 148 0.967 -7.436 16.424 1088 HD2 PHE 148 HD2 PHE 148 -2.786 -8.171 18.379 1089 HE1 PHE 148 HE1 PHE 148 2.144 -7.675 18.593 1090 HE2 PHE 148 HE2 PHE 148 -1.609 -8.413 20.548 1091 HZ PHE 148 HZ PHE 148 0.856 -8.165 20.655 1092 H TYR 149 H TYR 149 -0.507 -9.000 13.008 1093 HA TYR 149 HA TYR 149 1.512 -9.930 12.244 1094 HB2 TYR 149 2HB TYR 149 2.316 -7.917 13.434 1095 HB3 TYR 149 3HB TYR 149 2.438 -8.854 14.925 1096 HD1 TYR 149 HD2 TYR 149 3.660 -8.701 11.398 1097 HD2 TYR 149 HD1 TYR 149 4.366 -10.159 15.377 1098 HE1 TYR 149 HE2 TYR 149 5.906 -9.494 10.710 1099 HE2 TYR 149 HE1 TYR 149 6.613 -10.951 14.687 1100 HH TYR 149 HH TYR 149 7.985 -10.120 11.593 1101 H GLY 150 H GLY 150 1.040 -12.147 12.255 1102 HA2 GLY 150 2HA GLY 150 1.359 -13.721 14.716 1103 HA3 GLY 150 3HA GLY 150 0.945 -14.355 13.126 1104 H ARG 151 H ARG 151 3.372 -14.194 15.396 1105 HA ARG 151 HA ARG 151 5.618 -14.330 13.473 1106 HB2 ARG 151 2HB ARG 151 6.922 -14.769 15.671 1107 HB3 ARG 151 3HB ARG 151 6.216 -13.168 15.448 1108 HG2 ARG 151 2HG ARG 151 4.314 -13.746 16.835 1109 HG3 ARG 151 3HG ARG 151 4.855 -15.420 16.951 1110 HD2 ARG 151 2HD ARG 151 6.440 -13.038 17.949 1111 HD3 ARG 151 3HD ARG 151 5.430 -14.061 18.971 1112 HE ARG 151 HE ARG 151 7.148 -15.826 17.656 1113 HH11 ARG 151 1HH2 ARG 151 7.392 -13.039 19.680 1114 HH12 ARG 151 2HH2 ARG 151 8.890 -13.532 20.398 1115 HH21 ARG 151 1HH1 ARG 151 9.098 -16.480 18.583 1116 HH22 ARG 151 2HH1 ARG 151 9.854 -15.478 19.777 1117 H ARG 152 H ARG 152 3.384 -16.422 14.974 1118 HA ARG 152 HA ARG 152 5.048 -18.805 14.220 1119 HB2 ARG 152 2HB ARG 152 3.308 -18.401 16.663 1120 HB3 ARG 152 3HB ARG 152 3.898 -19.980 16.142 1121 HG2 ARG 152 2HG ARG 152 6.212 -19.214 16.329 1122 HG3 ARG 152 3HG ARG 152 5.665 -17.597 16.763 1123 HD2 ARG 152 2HD ARG 152 4.992 -20.083 18.358 1124 HD3 ARG 152 3HD ARG 152 6.336 -19.005 18.738 1125 HE ARG 152 HE ARG 152 3.984 -17.426 18.532 1126 HH11 ARG 152 1HH2 ARG 152 5.407 -19.919 20.450 1127 HH12 ARG 152 2HH2 ARG 152 4.591 -19.446 21.903 1128 HH21 ARG 152 1HH1 ARG 152 2.915 -16.796 20.416 1129 HH22 ARG 152 2HH1 ARG 152 3.182 -17.679 21.884 1130 H LEU 153 H LEU 153 4.025 -20.217 12.923 1131 HA LEU 153 HA LEU 153 1.481 -19.621 11.753 1132 HB2 LEU 153 2HB LEU 153 3.313 -22.020 11.729 1133 HB3 LEU 153 3HB LEU 153 1.726 -22.111 10.966 1134 HG LEU 153 HG LEU 153 2.282 -20.143 9.579 1135 HD11 LEU 153 1HD1 LEU 153 4.880 -20.323 11.120 1136 HD12 LEU 153 2HD1 LEU 153 3.813 -18.930 10.952 1137 HD13 LEU 153 3HD1 LEU 153 4.761 -19.484 9.573 1138 HD21 LEU 153 3HD2 LEU 153 4.538 -22.150 9.376 1139 HD22 LEU 153 1HD2 LEU 153 3.722 -21.293 8.068 1140 HD23 LEU 153 2HD2 LEU 153 2.879 -22.568 8.947 1141 H GLU 154 H GLU 154 2.482 -21.881 14.299 1142 HA GLU 154 HA GLU 154 -0.356 -22.681 14.737 1143 HB2 GLU 154 2HB GLU 154 2.251 -23.758 15.861 1144 HB3 GLU 154 3HB GLU 154 0.654 -24.391 16.255 1145 HG2 GLU 154 2HG GLU 154 1.336 -25.816 14.521 1146 HG3 GLU 154 3HG GLU 154 0.371 -24.620 13.662 1147 H HIS 155 H HIS 155 -1.026 -22.844 17.097 1148 HA HIS 155 HA HIS 155 0.332 -21.009 18.954 1149 HB2 HIS 155 2HB HIS 155 -1.590 -19.523 19.228 1150 HB3 HIS 155 3HB HIS 155 -1.057 -19.500 17.547 1151 HD1 HIS 155 HD1 HIS 155 -4.006 -20.049 19.596 1152 HD2 HIS 155 HD2 HIS 155 -2.699 -21.366 15.863 1153 HE1 HIS 155 HE1 HIS 155 -6.053 -20.923 18.389 1154 H HIS 156 H HIS 156 -1.730 -20.654 20.765 1155 HA HIS 156 HA HIS 156 -2.502 -21.812 22.666 1156 HB2 HIS 156 2HB HIS 156 -4.440 -21.828 21.126 1157 HB3 HIS 156 3HB HIS 156 -3.890 -23.365 20.462 1158 HD1 HIS 156 HD1 HIS 156 -4.734 -21.924 23.900 1159 HD2 HIS 156 HD2 HIS 156 -4.968 -25.522 21.808 1160 HE1 HIS 156 HE1 HIS 156 -5.886 -23.574 25.438 1161 H HIS 157 H HIS 157 0.034 -22.715 22.017 1162 HA HIS 157 HA HIS 157 1.488 -24.555 22.196 1163 HB2 HIS 157 2HB HIS 157 0.526 -24.343 24.492 1164 HB3 HIS 157 3HB HIS 157 -0.708 -25.522 24.047 1165 HD1 HIS 157 HD1 HIS 157 0.125 -27.976 23.525 1166 HD2 HIS 157 HD2 HIS 157 3.053 -25.442 25.072 1167 HE1 HIS 157 HE1 HIS 157 2.044 -29.459 24.256 1168 H HIS 158 H HIS 158 1.150 -25.300 20.001 1169 HA HIS 158 HA HIS 158 -0.090 -27.988 19.923 1170 HB2 HIS 158 2HB HIS 158 -1.822 -26.280 19.170 1171 HB3 HIS 158 3HB HIS 158 -0.756 -25.927 17.808 1172 HD1 HIS 158 HD1 HIS 158 -0.393 -27.821 16.043 1173 HD2 HIS 158 HD2 HIS 158 -3.161 -28.773 19.011 1174 HE1 HIS 158 HE1 HIS 158 -1.614 -29.890 15.245 1175 H HIS 159 H HIS 159 1.064 -29.347 18.614 1176 HA HIS 159 HA HIS 159 2.623 -28.492 16.355 1177 HB2 HIS 159 2HB HIS 159 4.865 -29.185 17.446 1178 HB3 HIS 159 3HB HIS 159 4.234 -27.587 17.835 1179 HD1 HIS 159 HD1 HIS 159 4.740 -31.010 19.297 1180 HD2 HIS 159 HD2 HIS 159 3.355 -27.274 20.521 1181 HE1 HIS 159 HE1 HIS 159 4.542 -31.111 21.820 1182 H HIS 160 H HIS 160 0.736 -30.419 16.603 1183 HA HIS 160 HA HIS 160 2.161 -32.813 15.791 1184 HB2 HIS 160 2HB HIS 160 2.224 -32.914 18.335 1185 HB3 HIS 160 3HB HIS 160 0.466 -33.049 18.288 1186 HD1 HIS 160 HD1 HIS 160 -0.509 -35.168 16.964 1187 HD2 HIS 160 HD2 HIS 160 3.579 -35.293 17.768 1188 HE1 HIS 160 HE1 HIS 160 0.219 -37.567 16.599 Start of MODEL 10 1 H1 MET 1 1H MET 1 12.281 19.074 -2.566 2 H2 MET 1 2H MET 1 13.518 18.820 -3.704 3 H3 MET 1 3H MET 1 13.906 19.160 -2.085 4 HA MET 1 HA MET 1 12.542 17.032 -1.586 5 HB2 MET 1 2HB MET 1 13.366 16.727 -4.491 6 HB3 MET 1 3HB MET 1 12.850 15.389 -3.463 7 HG2 MET 1 2HG MET 1 10.681 16.492 -3.092 8 HG3 MET 1 3HG MET 1 11.192 17.850 -4.094 9 HE1 MET 1 3HE MET 1 9.287 17.607 -6.258 10 HE2 MET 1 1HE MET 1 8.795 17.069 -4.646 11 HE3 MET 1 2HE MET 1 8.440 16.076 -6.057 12 H GLU 2 H GLU 2 15.317 18.637 -2.210 13 HA GLU 2 HA GLU 2 17.620 18.163 -1.988 14 HB2 GLU 2 2HB GLU 2 16.364 16.599 0.293 15 HB3 GLU 2 3HB GLU 2 18.087 16.945 0.164 16 HG2 GLU 2 2HG GLU 2 17.326 18.703 1.520 17 HG3 GLU 2 3HG GLU 2 17.330 19.445 -0.079 18 H LYS 3 H LYS 3 17.516 16.874 -4.054 19 HA LYS 3 HA LYS 3 17.384 13.974 -3.873 20 HB2 LYS 3 2HB LYS 3 18.312 15.861 -6.049 21 HB3 LYS 3 3HB LYS 3 18.282 14.107 -6.235 22 HG2 LYS 3 2HG LYS 3 15.876 14.070 -5.791 23 HG3 LYS 3 3HG LYS 3 15.883 15.806 -5.494 24 HD2 LYS 3 2HD LYS 3 15.149 15.668 -7.721 25 HD3 LYS 3 3HD LYS 3 16.871 15.992 -7.900 26 HE2 LYS 3 2HE LYS 3 16.082 14.161 -9.397 27 HE3 LYS 3 3HE LYS 3 17.311 13.610 -8.265 28 HZ1 LYS 3 3HZ LYS 3 15.826 12.374 -7.107 29 HZ2 LYS 3 1HZ LYS 3 15.052 12.324 -8.614 30 HZ3 LYS 3 2HZ LYS 3 14.522 13.414 -7.424 31 H ALA 4 H ALA 4 19.144 12.514 -4.029 32 HA ALA 4 HA ALA 4 21.891 13.462 -4.144 33 HB1 ALA 4 3HB ALA 4 20.790 12.451 -1.503 34 HB2 ALA 4 1HB ALA 4 21.405 14.073 -1.826 35 HB3 ALA 4 2HB ALA 4 22.502 12.692 -1.852 36 H MET 5 H MET 5 21.778 10.844 -2.076 37 HA MET 5 HA MET 5 21.502 8.822 -4.254 38 HB2 MET 5 2HB MET 5 23.882 8.916 -2.379 39 HB3 MET 5 3HB MET 5 23.639 7.825 -3.743 40 HG2 MET 5 2HG MET 5 25.089 9.466 -4.615 41 HG3 MET 5 3HG MET 5 23.503 9.999 -5.172 42 HE1 MET 5 3HE MET 5 25.089 12.079 -5.604 43 HE2 MET 5 1HE MET 5 26.449 11.668 -4.551 44 HE3 MET 5 2HE MET 5 25.620 13.211 -4.364 45 HA PRO 6 HA PRO 6 19.405 7.704 -0.231 46 HB2 PRO 6 2HB PRO 6 17.591 6.363 -2.190 47 HB3 PRO 6 3HB PRO 6 17.185 7.407 -0.813 48 HG2 PRO 6 2HG PRO 6 16.985 8.297 -3.317 49 HG3 PRO 6 3HG PRO 6 17.555 9.353 -2.011 50 HD2 PRO 6 2HD PRO 6 19.157 7.968 -4.144 51 HD3 PRO 6 3HD PRO 6 19.362 9.599 -3.460 52 H GLU 7 H GLU 7 19.499 5.689 0.831 53 HA GLU 7 HA GLU 7 21.406 3.802 -0.027 54 HB2 GLU 7 2HB GLU 7 20.620 4.030 2.311 55 HB3 GLU 7 3HB GLU 7 19.077 3.312 1.848 56 HG2 GLU 7 2HG GLU 7 20.198 1.247 1.178 57 HG3 GLU 7 3HG GLU 7 21.772 1.962 1.532 58 H SER 8 H SER 8 21.280 1.814 -1.039 59 HA SER 8 HA SER 8 19.292 1.447 -3.068 60 HB2 SER 8 2HB SER 8 20.425 -0.681 -3.484 61 HB3 SER 8 3HB SER 8 21.621 0.579 -3.187 62 HG SER 8 HG SER 8 20.616 -1.287 -1.289 63 H PHE 9 H PHE 9 19.526 -1.614 -2.093 64 HA PHE 9 HA PHE 9 17.845 -3.114 -1.409 65 HB2 PHE 9 2HB PHE 9 18.146 -1.257 0.962 66 HB3 PHE 9 3HB PHE 9 17.260 -2.782 1.021 67 HD1 PHE 9 HD1 PHE 9 18.458 -4.933 0.448 68 HD2 PHE 9 HD2 PHE 9 20.527 -1.218 1.047 69 HE1 PHE 9 HE1 PHE 9 20.589 -6.168 0.747 70 HE2 PHE 9 HE2 PHE 9 22.656 -2.452 1.347 71 HZ PHE 9 HZ PHE 9 22.688 -4.926 1.195 72 H VAL 10 H VAL 10 16.074 -2.804 -2.723 73 HA VAL 10 HA VAL 10 13.917 -0.999 -1.670 74 HB VAL 10 HB VAL 10 14.725 -1.555 -4.540 75 HG11 VAL 10 1HG1 VAL 10 12.197 -0.365 -3.382 76 HG12 VAL 10 2HG1 VAL 10 12.347 -1.654 -4.575 77 HG13 VAL 10 3HG1 VAL 10 12.735 0.009 -5.019 78 HG21 VAL 10 3HG2 VAL 10 14.917 0.905 -4.628 79 HG22 VAL 10 1HG2 VAL 10 15.955 0.240 -3.367 80 HG23 VAL 10 2HG2 VAL 10 14.427 1.004 -2.939 81 H VAL 11 H VAL 11 11.952 -1.992 -1.439 82 HA VAL 11 HA VAL 11 11.756 -4.877 -2.253 83 HB VAL 11 HB VAL 11 10.459 -3.284 -0.023 84 HG11 VAL 11 1HG1 VAL 11 9.829 -6.036 -1.106 85 HG12 VAL 11 2HG1 VAL 11 8.715 -4.705 -0.796 86 HG13 VAL 11 3HG1 VAL 11 9.445 -5.575 0.553 87 HG21 VAL 11 3HG2 VAL 11 12.123 -5.813 0.072 88 HG22 VAL 11 1HG2 VAL 11 11.659 -4.781 1.426 89 HG23 VAL 11 2HG2 VAL 11 12.816 -4.199 0.227 90 H ARG 12 H ARG 12 10.194 -5.401 -3.711 91 HA ARG 12 HA ARG 12 8.107 -3.338 -4.375 92 HB2 ARG 12 2HB ARG 12 9.625 -5.242 -6.174 93 HB3 ARG 12 3HB ARG 12 8.191 -4.355 -6.691 94 HG2 ARG 12 2HG ARG 12 9.312 -2.225 -6.173 95 HG3 ARG 12 3HG ARG 12 10.746 -3.104 -5.638 96 HD2 ARG 12 2HD ARG 12 11.020 -4.062 -7.882 97 HD3 ARG 12 3HD ARG 12 9.560 -3.239 -8.426 98 HE ARG 12 HE ARG 12 10.766 -1.181 -8.469 99 HH11 ARG 12 1HH2 ARG 12 12.527 -3.755 -6.997 100 HH12 ARG 12 2HH2 ARG 12 14.044 -2.923 -7.048 101 HH21 ARG 12 1HH1 ARG 12 12.737 -0.080 -8.541 102 HH22 ARG 12 2HH1 ARG 12 14.163 -0.844 -7.924 103 H ARG 13 H ARG 13 6.029 -4.058 -4.349 104 HA ARG 13 HA ARG 13 5.455 -6.962 -4.515 105 HB2 ARG 13 2HB ARG 13 4.862 -5.224 -2.116 106 HB3 ARG 13 3HB ARG 13 3.898 -6.657 -2.468 107 HG2 ARG 13 2HG ARG 13 5.953 -8.037 -2.444 108 HG3 ARG 13 3HG ARG 13 6.905 -6.600 -2.070 109 HD2 ARG 13 2HD ARG 13 5.672 -6.288 0.019 110 HD3 ARG 13 3HD ARG 13 4.646 -7.669 -0.354 111 HE ARG 13 HE ARG 13 7.455 -7.785 0.549 112 HH11 ARG 13 1HH2 ARG 13 4.711 -9.361 -0.844 113 HH12 ARG 13 2HH2 ARG 13 5.247 -10.950 -0.419 114 HH21 ARG 13 1HH1 ARG 13 8.166 -9.862 1.090 115 HH22 ARG 13 2HH1 ARG 13 7.198 -11.233 0.672 116 H GLU 14 H GLU 14 3.191 -7.367 -4.970 117 HA GLU 14 HA GLU 14 1.557 -4.974 -5.688 118 HB2 GLU 14 2HB GLU 14 2.267 -7.277 -7.525 119 HB3 GLU 14 3HB GLU 14 0.970 -6.130 -7.851 120 HG2 GLU 14 2HG GLU 14 2.565 -4.275 -7.815 121 HG3 GLU 14 3HG GLU 14 3.874 -5.384 -7.417 122 H ALA 15 H ALA 15 -0.729 -5.466 -5.769 123 HA ALA 15 HA ALA 15 -1.569 -8.195 -4.977 124 HB1 ALA 15 3HB ALA 15 -2.671 -7.507 -2.958 125 HB2 ALA 15 1HB ALA 15 -2.357 -5.804 -3.291 126 HB3 ALA 15 2HB ALA 15 -1.027 -6.878 -2.864 127 H HIS 16 H HIS 16 -3.727 -8.597 -5.574 128 HA HIS 16 HA HIS 16 -4.986 -6.465 -7.252 129 HB2 HIS 16 2HB HIS 16 -6.224 -8.275 -8.303 130 HB3 HIS 16 3HB HIS 16 -4.510 -8.690 -8.283 131 HD1 HIS 16 HD1 HIS 16 -7.785 -9.557 -6.631 132 HD2 HIS 16 HD2 HIS 16 -3.834 -10.889 -6.638 133 HE1 HIS 16 HE1 HIS 16 -7.777 -11.782 -5.420 134 H LEU 17 H LEU 17 -6.733 -5.430 -6.454 135 HA LEU 17 HA LEU 17 -8.233 -6.675 -4.168 136 HB2 LEU 17 2HB LEU 17 -7.890 -3.765 -4.962 137 HB3 LEU 17 3HB LEU 17 -8.956 -4.326 -3.677 138 HG LEU 17 HG LEU 17 -6.755 -5.530 -2.788 139 HD11 LEU 17 1HD1 LEU 17 -5.675 -3.278 -4.511 140 HD12 LEU 17 2HD1 LEU 17 -5.269 -4.990 -4.618 141 HD13 LEU 17 3HD1 LEU 17 -4.760 -4.050 -3.221 142 HD21 LEU 17 3HD2 LEU 17 -7.375 -2.576 -2.550 143 HD22 LEU 17 1HD2 LEU 17 -6.183 -3.396 -1.541 144 HD23 LEU 17 2HD2 LEU 17 -7.879 -3.873 -1.465 145 H ALA 18 H ALA 18 -10.424 -6.943 -4.379 146 HA ALA 18 HA ALA 18 -11.534 -6.735 -7.083 147 HB1 ALA 18 3HB ALA 18 -12.636 -7.719 -4.442 148 HB2 ALA 18 1HB ALA 18 -12.144 -8.687 -5.833 149 HB3 ALA 18 2HB ALA 18 -13.593 -7.685 -5.925 150 H ALA 19 H ALA 19 -11.095 -4.472 -4.753 151 HA ALA 19 HA ALA 19 -13.762 -3.181 -5.080 152 HB1 ALA 19 3HB ALA 19 -11.517 -2.075 -3.400 153 HB2 ALA 19 1HB ALA 19 -12.468 -3.444 -2.822 154 HB3 ALA 19 2HB ALA 19 -13.258 -1.908 -3.177 155 HA PRO 20 HA PRO 20 -12.096 -0.432 -8.143 156 HB2 PRO 20 2HB PRO 20 -13.714 1.777 -7.814 157 HB3 PRO 20 3HB PRO 20 -14.249 0.278 -8.601 158 HG2 PRO 20 2HG PRO 20 -14.707 1.209 -5.798 159 HG3 PRO 20 3HG PRO 20 -15.828 0.408 -6.917 160 HD2 PRO 20 2HD PRO 20 -14.557 -0.940 -4.914 161 HD3 PRO 20 3HD PRO 20 -14.985 -1.709 -6.459 162 HA PRO 21 HA PRO 21 -9.092 2.407 -6.459 163 HB2 PRO 21 2HB PRO 21 -10.224 4.606 -8.161 164 HB3 PRO 21 3HB PRO 21 -8.551 4.022 -8.041 165 HG2 PRO 21 2HG PRO 21 -10.090 3.421 -10.139 166 HG3 PRO 21 3HG PRO 21 -8.919 2.264 -9.480 167 HD2 PRO 21 2HD PRO 21 -11.904 2.266 -9.233 168 HD3 PRO 21 3HD PRO 21 -10.767 0.901 -9.291 169 H ALA 22 H ALA 22 -12.362 3.751 -6.791 170 HA ALA 22 HA ALA 22 -12.100 5.861 -4.886 171 HB1 ALA 22 3HB ALA 22 -14.001 5.596 -6.490 172 HB2 ALA 22 1HB ALA 22 -14.539 5.856 -4.831 173 HB3 ALA 22 2HB ALA 22 -14.578 4.236 -5.528 174 H ALA 23 H ALA 23 -12.998 2.445 -4.523 175 HA ALA 23 HA ALA 23 -13.706 2.567 -1.760 176 HB1 ALA 23 3HB ALA 23 -14.257 0.610 -3.077 177 HB2 ALA 23 1HB ALA 23 -13.164 0.107 -1.786 178 HB3 ALA 23 2HB ALA 23 -12.554 0.316 -3.428 179 H VAL 24 H VAL 24 -10.591 1.820 -3.343 180 HA VAL 24 HA VAL 24 -9.125 1.445 -0.910 181 HB VAL 24 HB VAL 24 -8.206 2.330 -3.660 182 HG11 VAL 24 1HG1 VAL 24 -6.482 2.968 -2.146 183 HG12 VAL 24 2HG1 VAL 24 -5.981 1.402 -2.783 184 HG13 VAL 24 3HG1 VAL 24 -6.693 1.513 -1.174 185 HG21 VAL 24 3HG2 VAL 24 -9.268 0.109 -3.601 186 HG22 VAL 24 1HG2 VAL 24 -8.214 -0.369 -2.270 187 HG23 VAL 24 2HG2 VAL 24 -7.531 -0.048 -3.864 188 H PHE 25 H PHE 25 -9.559 4.297 -3.000 189 HA PHE 25 HA PHE 25 -7.937 6.080 -1.482 190 HB2 PHE 25 2HB PHE 25 -8.717 6.625 -3.739 191 HB3 PHE 25 3HB PHE 25 -10.386 6.665 -3.169 192 HD1 PHE 25 HD2 PHE 25 -7.029 8.172 -2.437 193 HD2 PHE 25 HD1 PHE 25 -11.293 8.702 -2.445 194 HE1 PHE 25 HE2 PHE 25 -6.738 10.543 -1.768 195 HE2 PHE 25 HE1 PHE 25 -10.999 11.070 -1.773 196 HZ PHE 25 HZ PHE 25 -8.723 11.990 -1.435 197 H ALA 26 H ALA 26 -11.420 5.351 -1.267 198 HA ALA 26 HA ALA 26 -12.107 7.240 0.710 199 HB1 ALA 26 3HB ALA 26 -13.937 5.681 1.303 200 HB2 ALA 26 1HB ALA 26 -13.141 4.409 0.375 201 HB3 ALA 26 2HB ALA 26 -13.766 5.841 -0.444 202 H LEU 27 H LEU 27 -10.738 3.980 1.077 203 HA LEU 27 HA LEU 27 -10.777 3.927 3.939 204 HB2 LEU 27 2HB LEU 27 -9.011 2.539 1.909 205 HB3 LEU 27 3HB LEU 27 -8.964 2.179 3.630 206 HG LEU 27 HG LEU 27 -11.514 2.049 1.995 207 HD11 LEU 27 1HD1 LEU 27 -10.097 0.439 0.972 208 HD12 LEU 27 2HD1 LEU 27 -11.068 -0.477 2.123 209 HD13 LEU 27 3HD1 LEU 27 -9.403 -0.050 2.518 210 HD21 LEU 27 3HD2 LEU 27 -12.109 2.085 4.279 211 HD22 LEU 27 1HD2 LEU 27 -10.683 1.176 4.771 212 HD23 LEU 27 2HD2 LEU 27 -12.009 0.363 3.947 213 H MET 28 H MET 28 -8.301 4.997 1.622 214 HA MET 28 HA MET 28 -6.469 5.763 3.783 215 HB2 MET 28 2HB MET 28 -6.382 6.163 0.780 216 HB3 MET 28 3HB MET 28 -5.098 6.674 1.878 217 HG2 MET 28 2HG MET 28 -4.843 4.361 2.675 218 HG3 MET 28 3HG MET 28 -6.135 3.838 1.595 219 HE1 MET 28 3HE MET 28 -3.904 2.284 1.544 220 HE2 MET 28 1HE MET 28 -3.008 2.289 0.018 221 HE3 MET 28 2HE MET 28 -4.758 2.086 0.016 222 H THR 29 H THR 29 -9.235 7.115 2.534 223 HA THR 29 HA THR 29 -8.297 9.933 2.735 224 HB THR 29 HB THR 29 -11.020 8.791 2.040 225 HG1 THR 29 HG1 THR 29 -8.728 9.267 0.624 226 HG21 THR 29 3HG2 THR 29 -11.345 10.992 2.876 227 HG22 THR 29 1HG2 THR 29 -11.315 11.161 1.121 228 HG23 THR 29 2HG2 THR 29 -9.895 11.591 2.075 229 H ASP 30 H ASP 30 -9.752 7.485 4.638 230 HA ASP 30 HA ASP 30 -10.735 9.515 6.615 231 HB2 ASP 30 2HB ASP 30 -11.646 6.720 5.961 232 HB3 ASP 30 3HB ASP 30 -12.050 7.470 7.504 233 HA PRO 31 HA PRO 31 -7.312 7.799 9.010 234 HB2 PRO 31 2HB PRO 31 -7.636 9.206 11.314 235 HB3 PRO 31 3HB PRO 31 -7.010 9.951 9.830 236 HG2 PRO 31 2HG PRO 31 -9.769 10.051 10.974 237 HG3 PRO 31 3HG PRO 31 -8.805 11.346 10.236 238 HD2 PRO 31 2HD PRO 31 -10.776 9.982 8.885 239 HD3 PRO 31 3HD PRO 31 -9.373 10.724 8.078 240 H GLU 32 H GLU 32 -10.649 7.692 9.951 241 HA GLU 32 HA GLU 32 -10.226 5.945 12.262 242 HB2 GLU 32 2HB GLU 32 -12.709 6.780 10.741 243 HB3 GLU 32 3HB GLU 32 -12.735 5.780 12.194 244 HG2 GLU 32 2HG GLU 32 -11.626 7.565 13.464 245 HG3 GLU 32 3HG GLU 32 -11.549 8.565 12.013 246 H LYS 33 H LYS 33 -11.336 5.565 8.903 247 HA LYS 33 HA LYS 33 -11.980 2.784 9.112 248 HB2 LYS 33 2HB LYS 33 -11.144 4.444 6.721 249 HB3 LYS 33 3HB LYS 33 -11.743 2.789 6.612 250 HG2 LYS 33 2HG LYS 33 -13.830 3.516 7.783 251 HG3 LYS 33 3HG LYS 33 -13.235 5.176 7.740 252 HD2 LYS 33 2HD LYS 33 -13.156 5.099 5.282 253 HD3 LYS 33 3HD LYS 33 -13.710 3.429 5.310 254 HE2 LYS 33 2HE LYS 33 -15.614 4.866 4.866 255 HE3 LYS 33 3HE LYS 33 -15.784 4.188 6.485 256 HZ1 LYS 33 3HZ LYS 33 -15.000 6.923 5.700 257 HZ2 LYS 33 1HZ LYS 33 -14.586 6.306 7.225 258 HZ3 LYS 33 2HZ LYS 33 -16.220 6.429 6.776 259 H ILE 34 H ILE 34 -8.944 4.470 8.501 260 HA ILE 34 HA ILE 34 -7.446 2.232 7.566 261 HB ILE 34 HB ILE 34 -6.592 4.706 9.084 262 HG12 ILE 34 2HG1 ILE 34 -6.299 3.957 6.159 263 HG13 ILE 34 3HG1 ILE 34 -7.631 4.928 6.787 264 HG21 ILE 34 1HG2 ILE 34 -4.992 2.447 7.873 265 HG22 ILE 34 2HG2 ILE 34 -4.827 3.182 9.469 266 HG23 ILE 34 3HG2 ILE 34 -4.309 4.064 8.035 267 HD11 ILE 34 3HD1 ILE 34 -5.837 6.473 7.773 268 HD12 ILE 34 1HD1 ILE 34 -6.018 6.501 6.019 269 HD13 ILE 34 2HD1 ILE 34 -4.688 5.607 6.755 270 H LEU 35 H LEU 35 -8.007 3.416 10.891 271 HA LEU 35 HA LEU 35 -6.291 1.460 12.125 272 HB2 LEU 35 2HB LEU 35 -8.734 2.748 13.364 273 HB3 LEU 35 3HB LEU 35 -7.310 2.130 14.199 274 HG LEU 35 HG LEU 35 -7.325 4.462 12.258 275 HD11 LEU 35 1HD1 LEU 35 -6.839 4.511 15.243 276 HD12 LEU 35 2HD1 LEU 35 -8.431 4.789 14.536 277 HD13 LEU 35 3HD1 LEU 35 -7.098 5.881 14.162 278 HD21 LEU 35 3HD2 LEU 35 -5.161 3.061 13.839 279 HD22 LEU 35 1HD2 LEU 35 -4.984 4.746 13.354 280 HD23 LEU 35 2HD2 LEU 35 -5.166 3.495 12.129 281 H ARG 36 H ARG 36 -9.158 1.041 10.433 282 HA ARG 36 HA ARG 36 -10.396 -1.012 12.066 283 HB2 ARG 36 2HB ARG 36 -11.597 0.254 10.261 284 HB3 ARG 36 3HB ARG 36 -10.617 -0.596 9.068 285 HG2 ARG 36 2HG ARG 36 -11.504 -2.747 9.808 286 HG3 ARG 36 3HG ARG 36 -12.426 -1.951 11.086 287 HD2 ARG 36 2HD ARG 36 -13.909 -2.375 9.201 288 HD3 ARG 36 3HD ARG 36 -13.635 -0.637 9.332 289 HE ARG 36 HE ARG 36 -11.697 -1.766 7.549 290 HH11 ARG 36 1HH2 ARG 36 -15.053 -1.036 7.873 291 HH12 ARG 36 2HH2 ARG 36 -15.299 -0.793 6.177 292 HH21 ARG 36 1HH1 ARG 36 -12.001 -1.452 5.330 293 HH22 ARG 36 2HH1 ARG 36 -13.573 -1.026 4.737 294 H TRP 37 H TRP 37 -7.678 -0.907 9.945 295 HA TRP 37 HA TRP 37 -7.301 -3.843 10.307 296 HB2 TRP 37 2HB TRP 37 -6.585 -4.056 7.939 297 HB3 TRP 37 3HB TRP 37 -8.280 -3.598 8.074 298 HD1 TRP 37 HD1 TRP 37 -8.947 -1.104 7.426 299 HE1 TRP 37 HE1 TRP 37 -7.764 0.667 5.973 300 HE3 TRP 37 HE3 TRP 37 -4.257 -3.119 7.227 301 HZ2 TRP 37 HZ2 TRP 37 -5.170 1.168 4.872 302 HZ3 TRP 37 HZ3 TRP 37 -2.453 -1.976 5.969 303 HH2 TRP 37 HH2 TRP 37 -2.902 0.161 4.794 304 H MET 38 H MET 38 -5.788 -0.865 9.010 305 HA MET 38 HA MET 38 -3.109 -1.819 9.287 306 HB2 MET 38 2HB MET 38 -4.058 0.259 8.014 307 HB3 MET 38 3HB MET 38 -3.808 1.098 9.541 308 HG2 MET 38 2HG MET 38 -1.419 0.218 9.500 309 HG3 MET 38 3HG MET 38 -1.732 -0.315 7.853 310 HE1 MET 38 3HE MET 38 0.379 2.505 6.841 311 HE2 MET 38 1HE MET 38 -0.647 1.365 5.960 312 HE3 MET 38 2HE MET 38 0.271 0.826 7.362 313 H GLY 39 H GLY 39 -2.450 0.833 10.808 314 HA2 GLY 39 2HA GLY 39 -1.731 -0.359 13.280 315 HA3 GLY 39 3HA GLY 39 -1.768 1.376 12.973 316 H THR 40 H THR 40 -2.489 1.284 15.307 317 HA THR 40 HA THR 40 -5.466 1.278 15.387 318 HB THR 40 HB THR 40 -3.885 0.128 17.691 319 HG1 THR 40 HG1 THR 40 -3.473 -0.985 15.638 320 HG21 THR 40 3HG2 THR 40 -6.360 0.808 17.794 321 HG22 THR 40 1HG2 THR 40 -5.963 -0.826 18.323 322 HG23 THR 40 2HG2 THR 40 -6.662 -0.560 16.724 323 H GLU 41 H GLU 41 -3.301 3.327 15.277 324 HA GLU 41 HA GLU 41 -4.279 4.986 17.506 325 HB2 GLU 41 2HB GLU 41 -2.322 3.780 18.481 326 HB3 GLU 41 3HB GLU 41 -1.312 4.422 17.185 327 HG2 GLU 41 2HG GLU 41 -1.788 6.712 17.905 328 HG3 GLU 41 3HG GLU 41 -2.879 6.115 19.154 329 H ALA 42 H ALA 42 -4.780 6.860 16.460 330 HA ALA 42 HA ALA 42 -2.793 8.279 14.906 331 HB1 ALA 42 3HB ALA 42 -3.542 6.583 13.235 332 HB2 ALA 42 1HB ALA 42 -3.917 8.232 12.740 333 HB3 ALA 42 2HB ALA 42 -5.187 7.196 13.391 334 H GLU 43 H GLU 43 -3.463 10.441 14.520 335 HA GLU 43 HA GLU 43 -5.719 11.308 16.203 336 HB2 GLU 43 2HB GLU 43 -3.651 12.825 14.582 337 HB3 GLU 43 3HB GLU 43 -4.889 13.603 15.566 338 HG2 GLU 43 2HG GLU 43 -3.049 13.520 17.026 339 HG3 GLU 43 3HG GLU 43 -3.975 12.105 17.500 340 H VAL 44 H VAL 44 -7.408 12.748 15.330 341 HA VAL 44 HA VAL 44 -7.834 12.549 12.373 342 HB VAL 44 HB VAL 44 -9.158 10.735 13.252 343 HG11 VAL 44 1HG1 VAL 44 -9.144 11.356 15.606 344 HG12 VAL 44 2HG1 VAL 44 -10.814 11.150 15.080 345 HG13 VAL 44 3HG1 VAL 44 -10.144 12.770 15.272 346 HG21 VAL 44 3HG2 VAL 44 -10.236 12.492 11.654 347 HG22 VAL 44 1HG2 VAL 44 -11.153 13.001 13.071 348 HG23 VAL 44 2HG2 VAL 44 -11.302 11.351 12.466 349 H GLU 45 H GLU 45 -9.107 14.270 11.530 350 HA GLU 45 HA GLU 45 -9.299 16.624 13.352 351 HB2 GLU 45 2HB GLU 45 -9.184 16.361 10.340 352 HB3 GLU 45 3HB GLU 45 -9.490 17.890 11.164 353 HG2 GLU 45 2HG GLU 45 -7.086 16.167 11.796 354 HG3 GLU 45 3HG GLU 45 -7.050 17.422 10.556 355 HA PRO 46 HA PRO 46 -13.752 16.597 13.515 356 HB2 PRO 46 2HB PRO 46 -13.646 19.372 12.372 357 HB3 PRO 46 3HB PRO 46 -14.510 18.774 13.802 358 HG2 PRO 46 2HG PRO 46 -12.222 20.185 13.978 359 HG3 PRO 46 3HG PRO 46 -12.667 18.933 15.150 360 HD2 PRO 46 2HD PRO 46 -10.545 18.867 13.075 361 HD3 PRO 46 3HD PRO 46 -10.722 17.889 14.550 362 H GLU 47 H GLU 47 -12.420 18.122 10.536 363 HA GLU 47 HA GLU 47 -14.223 16.405 8.941 364 HB2 GLU 47 2HB GLU 47 -14.675 19.297 9.384 365 HB3 GLU 47 3HB GLU 47 -14.683 18.840 7.680 366 HG2 GLU 47 2HG GLU 47 -16.342 17.450 9.809 367 HG3 GLU 47 3HG GLU 47 -16.944 18.738 8.769 368 HA PRO 48 HA PRO 48 -11.244 18.524 5.805 369 HB2 PRO 48 2HB PRO 48 -9.280 20.185 6.886 370 HB3 PRO 48 3HB PRO 48 -10.806 20.748 6.175 371 HG2 PRO 48 2HG PRO 48 -10.101 20.334 9.047 372 HG3 PRO 48 3HG PRO 48 -11.046 21.632 8.291 373 HD2 PRO 48 2HD PRO 48 -12.246 19.608 9.613 374 HD3 PRO 48 3HD PRO 48 -12.981 20.338 8.172 375 H GLY 49 H GLY 49 -9.433 17.425 5.081 376 HA2 GLY 49 2HA GLY 49 -8.149 15.585 6.994 377 HA3 GLY 49 3HA GLY 49 -7.953 15.569 5.240 378 H GLY 50 H GLY 50 -7.539 18.370 7.365 379 HA2 GLY 50 2HA GLY 50 -5.008 19.026 6.135 380 HA3 GLY 50 3HA GLY 50 -5.696 19.818 7.552 381 H LEU 51 H LEU 51 -5.078 16.348 7.321 382 HA LEU 51 HA LEU 51 -2.931 16.638 9.402 383 HB2 LEU 51 2HB LEU 51 -5.265 15.576 10.008 384 HB3 LEU 51 3HB LEU 51 -4.660 14.180 9.123 385 HG LEU 51 HG LEU 51 -2.502 14.559 10.652 386 HD11 LEU 51 1HD1 LEU 51 -3.667 16.660 11.625 387 HD12 LEU 51 2HD1 LEU 51 -2.904 15.549 12.759 388 HD13 LEU 51 3HD1 LEU 51 -4.653 15.521 12.541 389 HD21 LEU 51 3HD2 LEU 51 -3.949 12.535 10.633 390 HD22 LEU 51 1HD2 LEU 51 -5.058 13.338 11.747 391 HD23 LEU 51 2HD2 LEU 51 -3.416 12.951 12.261 392 H TYR 52 H TYR 52 -4.172 14.056 7.275 393 HA TYR 52 HA TYR 52 -3.080 12.638 5.782 394 HB2 TYR 52 2HB TYR 52 -0.890 14.735 5.688 395 HB3 TYR 52 3HB TYR 52 -1.250 13.505 4.482 396 HD1 TYR 52 HD2 TYR 52 -3.628 13.511 3.460 397 HD2 TYR 52 HD1 TYR 52 -1.906 16.866 5.516 398 HE1 TYR 52 HE2 TYR 52 -5.262 15.019 2.365 399 HE2 TYR 52 HE1 TYR 52 -3.542 18.376 4.421 400 HH TYR 52 HH TYR 52 -6.210 17.121 2.526 401 H LEU 53 H LEU 53 -2.192 13.059 8.823 402 HA LEU 53 HA LEU 53 0.259 11.324 8.628 403 HB2 LEU 53 2HB LEU 53 -0.684 13.117 10.883 404 HB3 LEU 53 3HB LEU 53 0.742 12.085 10.942 405 HG LEU 53 HG LEU 53 0.296 14.268 8.889 406 HD11 LEU 53 1HD1 LEU 53 0.548 15.212 11.137 407 HD12 LEU 53 2HD1 LEU 53 1.993 15.523 10.177 408 HD13 LEU 53 3HD1 LEU 53 2.000 14.245 11.392 409 HD21 LEU 53 3HD2 LEU 53 1.835 12.838 7.881 410 HD22 LEU 53 1HD2 LEU 53 2.487 12.273 9.420 411 HD23 LEU 53 2HD2 LEU 53 2.926 13.865 8.803 412 H VAL 54 H VAL 54 0.016 9.267 9.260 413 HA VAL 54 HA VAL 54 -2.164 8.569 11.194 414 HB VAL 54 HB VAL 54 -1.508 6.873 8.775 415 HG11 VAL 54 1HG1 VAL 54 -3.858 7.026 10.684 416 HG12 VAL 54 2HG1 VAL 54 -2.644 5.749 10.626 417 HG13 VAL 54 3HG1 VAL 54 -3.770 5.959 9.286 418 HG21 VAL 54 3HG2 VAL 54 -3.675 7.842 7.845 419 HG22 VAL 54 1HG2 VAL 54 -2.291 8.935 7.835 420 HG23 VAL 54 2HG2 VAL 54 -3.537 9.101 9.072 421 H ASN 55 H ASN 55 -1.455 7.180 12.759 422 HA ASN 55 HA ASN 55 -0.063 5.703 13.930 423 HB2 ASN 55 2HB ASN 55 1.491 5.114 11.412 424 HB3 ASN 55 3HB ASN 55 1.104 4.045 12.757 425 HD21 ASN 55 1HD2 ASN 55 -1.614 4.188 13.022 426 HD22 ASN 55 2HD2 ASN 55 -2.391 3.747 11.577 427 H VAL 56 H VAL 56 1.881 7.327 11.396 428 HA VAL 56 HA VAL 56 4.199 7.601 13.055 429 HB VAL 56 HB VAL 56 4.997 9.133 11.314 430 HG11 VAL 56 1HG1 VAL 56 4.847 6.615 10.967 431 HG12 VAL 56 2HG1 VAL 56 4.921 7.575 9.488 432 HG13 VAL 56 3HG1 VAL 56 3.382 6.915 10.038 433 HG21 VAL 56 3HG2 VAL 56 2.086 9.056 10.475 434 HG22 VAL 56 1HG2 VAL 56 3.372 9.574 9.385 435 HG23 VAL 56 2HG2 VAL 56 3.059 10.474 10.869 436 H THR 57 H THR 57 4.867 9.280 14.361 437 HA THR 57 HA THR 57 2.967 11.572 14.768 438 HB THR 57 HB THR 57 3.535 11.472 17.167 439 HG1 THR 57 HG1 THR 57 4.991 9.180 16.349 440 HG21 THR 57 3HG2 THR 57 2.387 9.313 17.668 441 HG22 THR 57 1HG2 THR 57 2.564 8.864 15.973 442 HG23 THR 57 2HG2 THR 57 1.568 10.250 16.418 443 H GLY 58 H GLY 58 4.040 13.517 15.593 444 HA2 GLY 58 2HA GLY 58 6.926 13.709 15.688 445 HA3 GLY 58 3HA GLY 58 6.294 14.326 14.159 446 H ALA 59 H ALA 59 7.030 16.466 14.843 447 HA ALA 59 HA ALA 59 5.187 17.751 16.844 448 HB1 ALA 59 3HB ALA 59 8.045 18.516 16.176 449 HB2 ALA 59 1HB ALA 59 7.543 17.650 17.629 450 HB3 ALA 59 2HB ALA 59 7.007 19.308 17.361 451 H ARG 60 H ARG 60 4.577 17.472 14.044 452 HA ARG 60 HA ARG 60 4.406 20.349 13.346 453 HB2 ARG 60 2HB ARG 60 5.173 19.950 11.034 454 HB3 ARG 60 3HB ARG 60 6.446 19.609 12.204 455 HG2 ARG 60 2HG ARG 60 5.925 17.197 12.070 456 HG3 ARG 60 3HG ARG 60 4.655 17.536 10.893 457 HD2 ARG 60 2HD ARG 60 6.662 16.877 9.685 458 HD3 ARG 60 3HD ARG 60 6.388 18.599 9.420 459 HE ARG 60 HE ARG 60 8.105 18.233 11.692 460 HH11 ARG 60 1HH2 ARG 60 7.965 18.035 8.251 461 HH12 ARG 60 2HH2 ARG 60 9.661 18.320 8.035 462 HH21 ARG 60 1HH1 ARG 60 10.317 18.604 11.428 463 HH22 ARG 60 2HH1 ARG 60 10.991 18.642 9.832 464 H PHE 61 H PHE 61 2.547 20.842 12.229 465 HA PHE 61 HA PHE 61 0.619 18.596 11.807 466 HB2 PHE 61 2HB PHE 61 0.223 21.578 12.171 467 HB3 PHE 61 3HB PHE 61 -1.082 20.442 11.820 468 HD1 PHE 61 HD2 PHE 61 -1.718 18.703 13.448 469 HD2 PHE 61 HD1 PHE 61 1.311 21.616 14.339 470 HE1 PHE 61 HE2 PHE 61 -1.859 18.114 15.854 471 HE2 PHE 61 HE1 PHE 61 1.170 21.026 16.745 472 HZ PHE 61 HZ PHE 61 -0.416 19.277 17.501 473 H ALA 62 H ALA 62 1.892 21.534 10.239 474 HA ALA 62 HA ALA 62 1.695 20.284 7.623 475 HB1 ALA 62 3HB ALA 62 -0.165 22.603 8.238 476 HB2 ALA 62 1HB ALA 62 -0.678 20.933 8.002 477 HB3 ALA 62 2HB ALA 62 0.043 21.831 6.667 478 H ARG 63 H ARG 63 3.789 20.953 7.130 479 HA ARG 63 HA ARG 63 4.190 23.862 6.743 480 HB2 ARG 63 2HB ARG 63 6.308 23.891 7.987 481 HB3 ARG 63 3HB ARG 63 4.977 23.449 9.056 482 HG2 ARG 63 2HG ARG 63 5.560 21.039 8.708 483 HG3 ARG 63 3HG ARG 63 6.959 21.549 7.762 484 HD2 ARG 63 2HD ARG 63 6.451 22.405 10.623 485 HD3 ARG 63 3HD ARG 63 7.503 21.067 10.166 486 HE ARG 63 HE ARG 63 8.431 23.242 8.684 487 HH11 ARG 63 1HH2 ARG 63 7.850 22.458 11.994 488 HH12 ARG 63 2HH2 ARG 63 9.108 23.489 12.596 489 HH21 ARG 63 1HH1 ARG 63 10.074 24.596 9.455 490 HH22 ARG 63 2HH1 ARG 63 10.364 24.697 11.160 491 H GLY 64 H GLY 64 6.249 24.271 5.509 492 HA2 GLY 64 2HA GLY 64 7.728 23.768 3.754 493 HA3 GLY 64 3HA GLY 64 7.717 22.099 4.323 494 H SER 65 H SER 65 7.148 20.797 2.628 495 HA SER 65 HA SER 65 4.623 21.391 1.189 496 HB2 SER 65 2HB SER 65 5.819 20.930 -1.012 497 HB3 SER 65 3HB SER 65 6.176 22.484 -0.261 498 HG SER 65 HG SER 65 7.888 20.647 -0.960 499 H PHE 66 H PHE 66 3.661 19.533 0.325 500 HA PHE 66 HA PHE 66 4.494 17.012 1.530 501 HB2 PHE 66 2HB PHE 66 2.241 17.803 -0.317 502 HB3 PHE 66 3HB PHE 66 2.483 16.146 0.236 503 HD1 PHE 66 HD2 PHE 66 2.405 15.622 2.681 504 HD2 PHE 66 HD1 PHE 66 1.355 19.491 1.139 505 HE1 PHE 66 HE2 PHE 66 1.274 16.168 4.820 506 HE2 PHE 66 HE1 PHE 66 0.225 20.038 3.277 507 HZ PHE 66 HZ PHE 66 0.184 18.375 5.119 508 H ARG 67 H ARG 67 5.200 15.149 0.458 509 HA ARG 67 HA ARG 67 6.908 15.521 -1.816 510 HB2 ARG 67 2HB ARG 67 5.759 13.039 -0.515 511 HB3 ARG 67 3HB ARG 67 6.922 12.980 -1.841 512 HG2 ARG 67 2HG ARG 67 8.541 14.244 -0.522 513 HG3 ARG 67 3HG ARG 67 7.375 14.411 0.790 514 HD2 ARG 67 2HD ARG 67 7.337 11.977 1.088 515 HD3 ARG 67 3HD ARG 67 8.467 11.781 -0.250 516 HE ARG 67 HE ARG 67 9.788 13.497 1.463 517 HH11 ARG 67 1HH2 ARG 67 8.219 10.439 1.731 518 HH12 ARG 67 2HH2 ARG 67 9.236 9.882 3.019 519 HH21 ARG 67 1HH1 ARG 67 11.117 12.794 3.142 520 HH22 ARG 67 2HH1 ARG 67 10.878 11.218 3.818 521 H GLU 68 H GLU 68 4.234 13.163 -1.768 522 HA GLU 68 HA GLU 68 3.145 14.390 -4.266 523 HB2 GLU 68 2HB GLU 68 4.083 11.523 -4.006 524 HB3 GLU 68 3HB GLU 68 3.047 12.094 -5.308 525 HG2 GLU 68 2HG GLU 68 4.766 13.716 -5.985 526 HG3 GLU 68 3HG GLU 68 5.803 13.185 -4.661 527 H VAL 69 H VAL 69 0.952 14.327 -4.248 528 HA VAL 69 HA VAL 69 -0.442 12.225 -2.702 529 HB VAL 69 HB VAL 69 -0.656 15.190 -2.103 530 HG11 VAL 69 1HG1 VAL 69 -2.448 12.873 -1.351 531 HG12 VAL 69 2HG1 VAL 69 -2.903 14.400 -2.109 532 HG13 VAL 69 3HG1 VAL 69 -2.403 14.369 -0.417 533 HG21 VAL 69 3HG2 VAL 69 0.172 12.753 -0.505 534 HG22 VAL 69 1HG2 VAL 69 -0.229 14.296 0.248 535 HG23 VAL 69 2HG2 VAL 69 1.134 14.186 -0.865 536 H VAL 70 H VAL 70 -1.786 11.481 -4.261 537 HA VAL 70 HA VAL 70 -3.522 13.456 -5.661 538 HB VAL 70 HB VAL 70 -2.362 11.093 -7.148 539 HG11 VAL 70 1HG1 VAL 70 -3.550 13.762 -7.973 540 HG12 VAL 70 2HG1 VAL 70 -4.308 12.180 -8.143 541 HG13 VAL 70 3HG1 VAL 70 -2.876 12.579 -9.093 542 HG21 VAL 70 3HG2 VAL 70 -0.729 12.768 -8.123 543 HG22 VAL 70 1HG2 VAL 70 -0.410 12.325 -6.446 544 HG23 VAL 70 2HG2 VAL 70 -1.182 13.866 -6.820 545 HA PRO 71 HA PRO 71 -6.380 10.346 -4.138 546 HB2 PRO 71 2HB PRO 71 -8.700 11.260 -5.232 547 HB3 PRO 71 3HB PRO 71 -7.890 12.091 -3.887 548 HG2 PRO 71 2HG PRO 71 -7.810 12.717 -6.813 549 HG3 PRO 71 3HG PRO 71 -8.013 13.816 -5.434 550 HD2 PRO 71 2HD PRO 71 -5.610 13.473 -6.684 551 HD3 PRO 71 3HD PRO 71 -5.737 13.846 -4.949 552 H VAL 72 H VAL 72 -7.587 8.531 -4.881 553 HA VAL 72 HA VAL 72 -7.527 6.614 -6.300 554 HB VAL 72 HB VAL 72 -9.238 6.953 -8.096 555 HG11 VAL 72 1HG1 VAL 72 -9.948 6.422 -5.832 556 HG12 VAL 72 2HG1 VAL 72 -11.046 7.635 -6.493 557 HG13 VAL 72 3HG1 VAL 72 -9.791 8.111 -5.348 558 HG21 VAL 72 3HG2 VAL 72 -10.279 9.139 -8.338 559 HG22 VAL 72 1HG2 VAL 72 -8.549 9.311 -8.633 560 HG23 VAL 72 2HG2 VAL 72 -9.237 9.816 -7.088 561 H HIS 73 H HIS 73 -5.120 7.979 -6.759 562 HA HIS 73 HA HIS 73 -4.628 7.177 -9.556 563 HB2 HIS 73 2HB HIS 73 -5.215 9.605 -9.681 564 HB3 HIS 73 3HB HIS 73 -3.880 9.945 -8.580 565 HD1 HIS 73 HD1 HIS 73 -1.647 10.308 -9.649 566 HD2 HIS 73 HD2 HIS 73 -4.234 8.209 -12.156 567 HE1 HIS 73 HE1 HIS 73 -0.425 10.004 -11.846 568 H ARG 74 H ARG 74 -2.698 9.251 -7.391 569 HA ARG 74 HA ARG 74 -0.900 6.940 -6.807 570 HB2 ARG 74 2HB ARG 74 -0.053 9.569 -8.052 571 HB3 ARG 74 3HB ARG 74 1.072 8.409 -7.344 572 HG2 ARG 74 2HG ARG 74 0.236 6.672 -8.895 573 HG3 ARG 74 3HG ARG 74 -0.842 7.861 -9.624 574 HD2 ARG 74 2HD ARG 74 1.114 9.235 -10.259 575 HD3 ARG 74 3HD ARG 74 2.184 8.022 -9.555 576 HE ARG 74 HE ARG 74 0.373 6.891 -11.531 577 HH11 ARG 74 1HH2 ARG 74 3.324 8.576 -10.956 578 HH12 ARG 74 2HH2 ARG 74 4.066 8.045 -12.428 579 HH21 ARG 74 1HH1 ARG 74 1.321 6.186 -13.451 580 HH22 ARG 74 2HH1 ARG 74 2.931 6.691 -13.841 581 H LEU 75 H LEU 75 0.288 7.181 -4.888 582 HA LEU 75 HA LEU 75 0.022 9.694 -3.346 583 HB2 LEU 75 2HB LEU 75 -1.959 8.446 -2.654 584 HB3 LEU 75 3HB LEU 75 -0.992 7.001 -2.375 585 HG LEU 75 HG LEU 75 0.212 8.119 -0.554 586 HD11 LEU 75 1HD1 LEU 75 0.340 10.396 -1.161 587 HD12 LEU 75 2HD1 LEU 75 -0.803 10.405 0.177 588 HD13 LEU 75 3HD1 LEU 75 -1.392 10.499 -1.482 589 HD21 LEU 75 3HD2 LEU 75 -1.583 8.192 1.034 590 HD22 LEU 75 1HD2 LEU 75 -2.044 7.009 -0.189 591 HD23 LEU 75 2HD2 LEU 75 -2.751 8.624 -0.212 592 H ALA 76 H ALA 76 1.929 10.056 -2.235 593 HA ALA 76 HA ALA 76 3.583 7.738 -1.423 594 HB1 ALA 76 3HB ALA 76 5.141 9.853 -2.834 595 HB2 ALA 76 1HB ALA 76 4.147 8.824 -3.860 596 HB3 ALA 76 2HB ALA 76 5.371 8.116 -2.812 597 H TYR 77 H TYR 77 4.473 8.133 0.521 598 HA TYR 77 HA TYR 77 5.383 10.762 1.340 599 HB2 TYR 77 2HB TYR 77 2.933 11.079 1.589 600 HB3 TYR 77 3HB TYR 77 2.884 9.698 2.687 601 HD1 TYR 77 HD2 TYR 77 4.425 13.061 2.191 602 HD2 TYR 77 HD1 TYR 77 3.441 9.947 4.984 603 HE1 TYR 77 HE2 TYR 77 5.093 14.535 4.070 604 HE2 TYR 77 HE1 TYR 77 4.110 11.423 6.863 605 HH TYR 77 HH TYR 77 4.856 14.803 6.369 606 H SER 78 H SER 78 5.766 10.633 3.900 607 HA SER 78 HA SER 78 7.260 8.112 4.304 608 HB2 SER 78 2HB SER 78 8.243 9.263 6.220 609 HB3 SER 78 3HB SER 78 8.294 10.324 4.815 610 HG SER 78 HG SER 78 6.435 11.352 5.607 611 H PHE 79 H PHE 79 5.796 6.523 4.878 612 HA PHE 79 HA PHE 79 3.898 7.072 7.130 613 HB2 PHE 79 2HB PHE 79 4.044 4.914 5.014 614 HB3 PHE 79 3HB PHE 79 3.015 4.756 6.438 615 HD1 PHE 79 HD1 PHE 79 1.242 6.490 6.887 616 HD2 PHE 79 HD2 PHE 79 3.425 6.329 3.190 617 HE1 PHE 79 HE1 PHE 79 -0.484 7.906 5.807 618 HE2 PHE 79 HE2 PHE 79 1.697 7.746 2.110 619 HZ PHE 79 HZ PHE 79 -0.257 8.533 3.420 620 H GLY 80 H GLY 80 6.968 5.930 6.597 621 HA2 GLY 80 2HA GLY 80 7.173 3.549 8.100 622 HA3 GLY 80 3HA GLY 80 8.461 4.747 7.971 623 H TRP 81 H TRP 81 7.558 3.170 10.342 624 HA TRP 81 HA TRP 81 6.495 5.309 12.130 625 HB2 TRP 81 2HB TRP 81 7.009 2.384 12.735 626 HB3 TRP 81 3HB TRP 81 6.074 3.520 13.710 627 HD1 TRP 81 HD1 TRP 81 4.013 4.766 12.140 628 HE1 TRP 81 HE1 TRP 81 2.305 3.550 10.643 629 HE3 TRP 81 HE3 TRP 81 6.462 0.341 11.424 630 HZ2 TRP 81 HZ2 TRP 81 2.014 1.035 9.317 631 HZ3 TRP 81 HZ3 TRP 81 5.446 -1.446 10.037 632 HH2 TRP 81 HH2 TRP 81 3.227 -1.103 8.985 633 H ASP 82 H ASP 82 7.734 6.238 13.691 634 HA ASP 82 HA ASP 82 10.622 5.543 13.767 635 HB2 ASP 82 2HB ASP 82 10.780 7.676 15.084 636 HB3 ASP 82 3HB ASP 82 10.082 7.900 13.479 637 H GLY 83 H GLY 83 7.855 4.637 15.369 638 HA2 GLY 83 2HA GLY 83 8.913 4.667 18.100 639 HA3 GLY 83 3HA GLY 83 7.412 3.902 17.579 640 H SER 84 H SER 84 7.501 1.751 16.743 641 HA SER 84 HA SER 84 9.486 0.067 17.945 642 HB2 SER 84 2HB SER 84 7.471 -0.507 15.759 643 HB3 SER 84 3HB SER 84 8.422 -1.739 16.584 644 HG SER 84 HG SER 84 7.488 -0.622 18.561 645 H GLU 85 H GLU 85 8.802 -0.095 14.473 646 HA GLU 85 HA GLU 85 11.402 -0.949 13.773 647 HB2 GLU 85 2HB GLU 85 9.259 0.434 12.139 648 HB3 GLU 85 3HB GLU 85 10.723 -0.261 11.441 649 HG2 GLU 85 2HG GLU 85 10.140 -2.465 12.335 650 HG3 GLU 85 3HG GLU 85 8.710 -1.789 13.118 651 H VAL 86 H VAL 86 13.255 0.127 13.524 652 HA VAL 86 HA VAL 86 13.547 2.884 14.260 653 HB VAL 86 HB VAL 86 15.403 0.972 12.814 654 HG11 VAL 86 1HG1 VAL 86 17.160 2.676 13.712 655 HG12 VAL 86 2HG1 VAL 86 15.805 3.805 13.766 656 HG13 VAL 86 3HG1 VAL 86 16.283 3.070 12.237 657 HG21 VAL 86 3HG2 VAL 86 16.489 0.848 15.038 658 HG22 VAL 86 1HG2 VAL 86 14.805 0.329 15.111 659 HG23 VAL 86 2HG2 VAL 86 15.260 1.932 15.689 660 H VAL 87 H VAL 87 13.305 4.696 13.026 661 HA VAL 87 HA VAL 87 13.737 4.615 10.109 662 HB VAL 87 HB VAL 87 11.036 5.255 11.329 663 HG11 VAL 87 1HG1 VAL 87 12.190 5.783 8.584 664 HG12 VAL 87 2HG1 VAL 87 11.357 6.910 9.653 665 HG13 VAL 87 3HG1 VAL 87 10.452 5.634 8.845 666 HG21 VAL 87 3HG2 VAL 87 12.069 3.121 9.445 667 HG22 VAL 87 1HG2 VAL 87 10.354 3.510 9.570 668 HG23 VAL 87 2HG2 VAL 87 11.223 2.902 10.977 669 HA PRO 88 HA PRO 88 15.180 8.478 12.256 670 HB2 PRO 88 2HB PRO 88 16.861 8.606 9.792 671 HB3 PRO 88 3HB PRO 88 17.345 8.740 11.496 672 HG2 PRO 88 2HG PRO 88 17.858 6.541 10.034 673 HG3 PRO 88 3HG PRO 88 17.515 6.468 11.771 674 HD2 PRO 88 2HD PRO 88 15.748 5.737 9.470 675 HD3 PRO 88 3HD PRO 88 15.827 5.037 11.100 676 HA PRO 89 HA PRO 89 13.201 11.774 10.024 677 HB2 PRO 89 2HB PRO 89 15.759 13.012 9.080 678 HB3 PRO 89 3HB PRO 89 14.442 13.730 10.032 679 HG2 PRO 89 2HG PRO 89 16.736 13.077 11.186 680 HG3 PRO 89 3HG PRO 89 15.192 12.787 12.015 681 HD2 PRO 89 2HD PRO 89 16.959 10.819 10.586 682 HD3 PRO 89 3HD PRO 89 16.074 10.625 12.118 683 H GLY 90 H GLY 90 13.968 13.263 7.704 684 HA2 GLY 90 2HA GLY 90 12.883 11.926 5.570 685 HA3 GLY 90 3HA GLY 90 14.162 13.116 5.352 686 H SER 91 H SER 91 13.400 9.732 5.411 687 HA SER 91 HA SER 91 15.980 9.135 4.095 688 HB2 SER 91 2HB SER 91 16.484 7.285 5.643 689 HB3 SER 91 3HB SER 91 16.453 8.823 6.503 690 HG SER 91 HG SER 91 14.756 8.173 7.574 691 H SER 92 H SER 92 13.125 7.550 5.564 692 HA SER 92 HA SER 92 13.060 5.544 3.434 693 HB2 SER 92 2HB SER 92 11.103 4.688 4.601 694 HB3 SER 92 3HB SER 92 12.357 5.062 5.781 695 HG SER 92 HG SER 92 11.249 6.814 6.419 696 H LEU 93 H LEU 93 11.080 5.217 2.117 697 HA LEU 93 HA LEU 93 9.317 7.533 1.699 698 HB2 LEU 93 2HB LEU 93 11.212 8.192 0.314 699 HB3 LEU 93 3HB LEU 93 11.266 6.599 -0.434 700 HG LEU 93 HG LEU 93 9.094 6.961 -1.482 701 HD11 LEU 93 1HD1 LEU 93 7.820 8.229 0.035 702 HD12 LEU 93 2HD1 LEU 93 8.155 9.397 -1.242 703 HD13 LEU 93 3HD1 LEU 93 9.091 9.430 0.254 704 HD21 LEU 93 3HD2 LEU 93 10.867 9.402 -1.810 705 HD22 LEU 93 1HD2 LEU 93 9.693 8.803 -2.983 706 HD23 LEU 93 2HD2 LEU 93 11.127 7.847 -2.602 707 H VAL 94 H VAL 94 7.325 6.722 1.229 708 HA VAL 94 HA VAL 94 7.140 3.896 0.236 709 HB VAL 94 HB VAL 94 5.201 5.638 1.784 710 HG11 VAL 94 1HG1 VAL 94 3.828 3.456 1.790 711 HG12 VAL 94 2HG1 VAL 94 4.825 2.965 0.422 712 HG13 VAL 94 3HG1 VAL 94 3.813 4.403 0.302 713 HG21 VAL 94 3HG2 VAL 94 6.601 3.021 2.419 714 HG22 VAL 94 1HG2 VAL 94 5.461 3.852 3.478 715 HG23 VAL 94 2HG2 VAL 94 7.011 4.598 3.093 716 H GLU 95 H GLU 95 6.320 3.566 -1.757 717 HA GLU 95 HA GLU 95 5.014 5.863 -3.189 718 HB2 GLU 95 2HB GLU 95 6.702 3.577 -4.251 719 HB3 GLU 95 3HB GLU 95 5.879 4.764 -5.262 720 HG2 GLU 95 2HG GLU 95 7.900 5.489 -3.124 721 HG3 GLU 95 3HG GLU 95 8.302 5.301 -4.832 722 H ILE 96 H ILE 96 2.935 5.495 -3.776 723 HA ILE 96 HA ILE 96 1.980 2.660 -4.047 724 HB ILE 96 HB ILE 96 0.561 4.994 -2.728 725 HG12 ILE 96 2HG1 ILE 96 1.353 2.299 -1.591 726 HG13 ILE 96 3HG1 ILE 96 2.341 3.750 -1.419 727 HG21 ILE 96 1HG2 ILE 96 -1.168 3.148 -2.260 728 HG22 ILE 96 2HG2 ILE 96 -0.367 2.233 -3.537 729 HG23 ILE 96 3HG2 ILE 96 -1.116 3.788 -3.902 730 HD11 ILE 96 3HD1 ILE 96 -0.550 3.550 -0.532 731 HD12 ILE 96 1HD1 ILE 96 0.552 4.897 -0.243 732 HD13 ILE 96 2HD1 ILE 96 0.833 3.343 0.542 733 H ASP 97 H ASP 97 0.937 2.297 -5.943 734 HA ASP 97 HA ASP 97 -0.171 4.642 -7.455 735 HB2 ASP 97 2HB ASP 97 2.037 4.053 -8.407 736 HB3 ASP 97 3HB ASP 97 1.495 2.389 -8.625 737 H LEU 98 H LEU 98 -2.222 4.257 -8.111 738 HA LEU 98 HA LEU 98 -3.298 1.483 -7.843 739 HB2 LEU 98 2HB LEU 98 -4.757 4.109 -8.250 740 HB3 LEU 98 3HB LEU 98 -5.486 2.558 -7.830 741 HG LEU 98 HG LEU 98 -3.489 4.086 -6.131 742 HD11 LEU 98 1HD1 LEU 98 -5.421 4.415 -4.621 743 HD12 LEU 98 2HD1 LEU 98 -6.467 3.621 -5.799 744 HD13 LEU 98 3HD1 LEU 98 -5.695 5.157 -6.198 745 HD21 LEU 98 3HD2 LEU 98 -4.391 2.307 -4.417 746 HD22 LEU 98 1HD2 LEU 98 -3.143 1.832 -5.565 747 HD23 LEU 98 2HD2 LEU 98 -4.826 1.392 -5.860 748 H ILE 99 H ILE 99 -3.727 0.320 -9.654 749 HA ILE 99 HA ILE 99 -4.025 1.776 -12.264 750 HB ILE 99 HB ILE 99 -2.479 -0.768 -11.695 751 HG12 ILE 99 2HG1 ILE 99 -1.578 1.877 -12.872 752 HG13 ILE 99 3HG1 ILE 99 -1.424 1.473 -11.162 753 HG21 ILE 99 1HG2 ILE 99 -3.298 0.575 -14.279 754 HG22 ILE 99 2HG2 ILE 99 -3.560 -1.101 -13.797 755 HG23 ILE 99 3HG2 ILE 99 -1.934 -0.539 -14.187 756 HD11 ILE 99 3HD1 ILE 99 0.038 -0.369 -11.642 757 HD12 ILE 99 1HD1 ILE 99 0.640 1.010 -12.561 758 HD13 ILE 99 2HD1 ILE 99 -0.286 -0.252 -13.372 759 H GLU 100 H GLU 100 -5.849 1.257 -13.313 760 HA GLU 100 HA GLU 100 -7.757 -0.569 -12.173 761 HB2 GLU 100 2HB GLU 100 -7.637 0.855 -14.837 762 HB3 GLU 100 3HB GLU 100 -9.025 -0.096 -14.304 763 HG2 GLU 100 2HG GLU 100 -9.285 1.323 -12.335 764 HG3 GLU 100 3HG GLU 100 -7.843 2.239 -12.773 765 H GLN 101 H GLN 101 -8.321 -2.651 -12.794 766 HA GLN 101 HA GLN 101 -7.050 -3.867 -15.170 767 HB2 GLN 101 2HB GLN 101 -5.397 -4.176 -13.327 768 HB3 GLN 101 3HB GLN 101 -6.633 -5.022 -12.396 769 HG2 GLN 101 2HG GLN 101 -6.832 -6.713 -14.174 770 HG3 GLN 101 3HG GLN 101 -5.616 -5.860 -15.128 771 HE21 GLN 101 1HE2 GLN 101 -3.808 -7.232 -15.027 772 HE22 GLN 101 2HE2 GLN 101 -3.124 -7.803 -13.583 773 H GLY 102 H GLY 102 -9.241 -4.045 -15.880 774 HA2 GLY 102 2HA GLY 102 -11.384 -5.007 -16.020 775 HA3 GLY 102 3HA GLY 102 -10.535 -6.470 -15.535 776 H GLY 103 H GLY 103 -12.512 -3.799 -14.385 777 HA2 GLY 103 2HA GLY 103 -13.792 -3.593 -12.428 778 HA3 GLY 103 3HA GLY 103 -13.694 -5.346 -12.310 779 H GLY 104 H GLY 104 -11.513 -6.167 -11.424 780 HA2 GLY 104 2HA GLY 104 -11.080 -5.077 -8.834 781 HA3 GLY 104 3HA GLY 104 -9.995 -6.216 -9.632 782 H THR 105 H THR 105 -8.949 -4.208 -8.039 783 HA THR 105 HA THR 105 -7.719 -2.324 -10.034 784 HB THR 105 HB THR 105 -8.243 -1.903 -7.075 785 HG1 THR 105 HG1 THR 105 -9.888 -0.731 -7.716 786 HG21 THR 105 3HG2 THR 105 -7.445 0.450 -7.674 787 HG22 THR 105 1HG2 THR 105 -6.812 -0.254 -9.162 788 HG23 THR 105 2HG2 THR 105 -6.199 -0.796 -7.600 789 H LEU 106 H LEU 106 -5.559 -2.567 -10.261 790 HA LEU 106 HA LEU 106 -4.129 -4.471 -8.521 791 HB2 LEU 106 2HB LEU 106 -3.766 -4.589 -10.937 792 HB3 LEU 106 3HB LEU 106 -3.278 -2.898 -10.971 793 HG LEU 106 HG LEU 106 -1.317 -3.391 -9.604 794 HD11 LEU 106 1HD1 LEU 106 -0.863 -5.960 -9.274 795 HD12 LEU 106 2HD1 LEU 106 -2.614 -6.104 -9.406 796 HD13 LEU 106 3HD1 LEU 106 -1.905 -5.114 -8.131 797 HD21 LEU 106 3HD2 LEU 106 -1.770 -5.181 -12.001 798 HD22 LEU 106 1HD2 LEU 106 -0.203 -5.051 -11.202 799 HD23 LEU 106 2HD2 LEU 106 -0.934 -3.628 -11.944 800 H LEU 107 H LEU 107 -2.851 -3.823 -6.854 801 HA LEU 107 HA LEU 107 -2.188 -0.901 -6.625 802 HB2 LEU 107 2HB LEU 107 -3.712 -1.820 -4.881 803 HB3 LEU 107 3HB LEU 107 -2.462 -2.972 -4.426 804 HG LEU 107 HG LEU 107 -1.539 -0.134 -4.512 805 HD11 LEU 107 1HD1 LEU 107 -3.484 -1.046 -2.371 806 HD12 LEU 107 2HD1 LEU 107 -3.816 0.174 -3.599 807 HD13 LEU 107 3HD1 LEU 107 -2.583 0.471 -2.374 808 HD21 LEU 107 3HD2 LEU 107 -1.357 -2.328 -2.418 809 HD22 LEU 107 1HD2 LEU 107 -0.464 -0.805 -2.394 810 HD23 LEU 107 2HD2 LEU 107 -0.144 -1.996 -3.655 811 H ARG 108 H ARG 108 -0.086 -0.396 -6.703 812 HA ARG 108 HA ARG 108 1.950 -2.575 -6.382 813 HB2 ARG 108 2HB ARG 108 1.850 -1.506 -8.635 814 HB3 ARG 108 3HB ARG 108 2.173 0.054 -7.877 815 HG2 ARG 108 2HG ARG 108 4.323 -0.745 -7.051 816 HG3 ARG 108 3HG ARG 108 3.999 -2.360 -7.689 817 HD2 ARG 108 2HD ARG 108 5.438 -1.160 -9.251 818 HD3 ARG 108 3HD ARG 108 3.847 -1.373 -9.980 819 HE ARG 108 HE ARG 108 3.938 1.139 -8.595 820 HH11 ARG 108 1HH2 ARG 108 5.111 -0.551 -11.361 821 HH12 ARG 108 2HH2 ARG 108 5.273 0.877 -12.330 822 HH21 ARG 108 1HH1 ARG 108 4.141 3.015 -9.845 823 HH22 ARG 108 2HH1 ARG 108 4.723 2.894 -11.472 824 H LEU 109 H LEU 109 3.196 -2.405 -4.600 825 HA LEU 109 HA LEU 109 3.521 0.297 -3.316 826 HB2 LEU 109 2HB LEU 109 2.094 -1.324 -2.018 827 HB3 LEU 109 3HB LEU 109 3.479 -2.405 -1.933 828 HG LEU 109 HG LEU 109 4.068 0.389 -1.064 829 HD11 LEU 109 1HD1 LEU 109 1.832 0.228 -0.123 830 HD12 LEU 109 2HD1 LEU 109 3.014 0.049 1.172 831 HD13 LEU 109 3HD1 LEU 109 2.186 -1.370 0.532 832 HD21 LEU 109 3HD2 LEU 109 5.267 -0.786 0.722 833 HD22 LEU 109 1HD2 LEU 109 5.652 -1.528 -0.830 834 HD23 LEU 109 2HD2 LEU 109 4.508 -2.310 0.260 835 H THR 110 H THR 110 5.598 0.952 -3.321 836 HA THR 110 HA THR 110 7.773 -1.121 -3.357 837 HB THR 110 HB THR 110 7.702 1.535 -4.821 838 HG1 THR 110 HG1 THR 110 7.275 0.375 -6.546 839 HG21 THR 110 3HG2 THR 110 9.944 1.092 -4.071 840 HG22 THR 110 1HG2 THR 110 9.870 0.658 -5.778 841 HG23 THR 110 2HG2 THR 110 9.826 -0.602 -4.544 842 H HIS 111 H HIS 111 9.176 -0.891 -1.701 843 HA HIS 111 HA HIS 111 9.098 1.642 -0.100 844 HB2 HIS 111 2HB HIS 111 8.597 -0.728 0.895 845 HB3 HIS 111 3HB HIS 111 10.341 -0.959 0.808 846 HD1 HIS 111 HD1 HIS 111 11.733 1.185 1.949 847 HD2 HIS 111 HD2 HIS 111 7.826 0.502 3.229 848 HE1 HIS 111 HE1 HIS 111 11.489 2.380 4.168 849 H SER 112 H SER 112 10.871 2.964 -0.318 850 HA SER 112 HA SER 112 13.523 1.713 -0.918 851 HB2 SER 112 2HB SER 112 12.564 2.493 -3.062 852 HB3 SER 112 3HB SER 112 12.367 4.104 -2.380 853 HG SER 112 HG SER 112 14.753 3.803 -1.895 854 H GLY 113 H GLY 113 15.336 3.026 -0.273 855 HA2 GLY 113 2HA GLY 113 16.371 4.845 0.890 856 HA3 GLY 113 3HA GLY 113 14.772 5.500 1.246 857 H LEU 114 H LEU 114 15.507 2.131 1.803 858 HA LEU 114 HA LEU 114 14.664 2.316 4.538 859 HB2 LEU 114 2HB LEU 114 15.975 0.172 2.876 860 HB3 LEU 114 3HB LEU 114 15.686 -0.079 4.595 861 HG LEU 114 HG LEU 114 13.415 0.911 2.871 862 HD11 LEU 114 1HD1 LEU 114 14.163 -0.961 1.570 863 HD12 LEU 114 2HD1 LEU 114 12.795 -1.527 2.529 864 HD13 LEU 114 3HD1 LEU 114 14.440 -1.929 3.014 865 HD21 LEU 114 3HD2 LEU 114 13.112 0.771 5.309 866 HD22 LEU 114 1HD2 LEU 114 13.613 -0.918 5.288 867 HD23 LEU 114 2HD2 LEU 114 12.108 -0.435 4.507 868 HA PRO 115 HA PRO 115 18.472 3.480 6.511 869 HB2 PRO 115 2HB PRO 115 18.233 2.186 8.936 870 HB3 PRO 115 3HB PRO 115 17.320 3.649 8.512 871 HG2 PRO 115 2HG PRO 115 16.449 0.791 8.425 872 HG3 PRO 115 3HG PRO 115 15.565 2.221 8.990 873 HD2 PRO 115 2HD PRO 115 15.114 1.132 6.541 874 HD3 PRO 115 3HD PRO 115 14.981 2.880 6.833 875 H SER 116 H SER 116 17.660 0.039 6.375 876 HA SER 116 HA SER 116 20.398 -0.620 5.638 877 HB2 SER 116 2HB SER 116 20.708 -0.481 8.053 878 HB3 SER 116 3HB SER 116 19.326 -1.543 8.316 879 HG SER 116 HG SER 116 20.521 -3.108 7.020 880 H ALA 117 H ALA 117 20.605 -3.036 5.296 881 HA ALA 117 HA ALA 117 18.363 -4.027 3.806 882 HB1 ALA 117 3HB ALA 117 20.798 -4.642 3.471 883 HB2 ALA 117 1HB ALA 117 19.688 -6.012 3.482 884 HB3 ALA 117 2HB ALA 117 20.664 -5.655 4.908 885 H GLU 118 H GLU 118 19.536 -4.663 7.090 886 HA GLU 118 HA GLU 118 17.867 -6.882 7.690 887 HB2 GLU 118 2HB GLU 118 18.922 -4.667 9.472 888 HB3 GLU 118 3HB GLU 118 18.138 -6.128 10.077 889 HG2 GLU 118 2HG GLU 118 19.848 -7.521 9.013 890 HG3 GLU 118 3HG GLU 118 20.611 -6.089 8.322 891 H GLN 119 H GLN 119 17.241 -3.397 7.824 892 HA GLN 119 HA GLN 119 14.658 -3.599 9.064 893 HB2 GLN 119 2HB GLN 119 16.018 -1.494 8.877 894 HB3 GLN 119 3HB GLN 119 15.646 -1.460 7.155 895 HG2 GLN 119 2HG GLN 119 14.071 -0.018 8.301 896 HG3 GLN 119 3HG GLN 119 13.206 -1.449 7.746 897 HE21 GLN 119 1HE2 GLN 119 14.330 0.275 10.599 898 HE22 GLN 119 2HE2 GLN 119 13.571 -0.729 11.737 899 H CYS 120 H CYS 120 15.779 -3.860 5.736 900 HA CYS 120 HA CYS 120 13.231 -3.638 4.455 901 HB2 CYS 120 2HB CYS 120 14.364 -4.216 2.515 902 HB3 CYS 120 3HB CYS 120 15.740 -3.778 3.521 903 HG CYS 120 HG CYS 120 15.023 -6.757 3.690 904 H ALA 121 H ALA 121 15.001 -6.444 5.728 905 HA ALA 121 HA ALA 121 13.095 -8.416 4.910 906 HB1 ALA 121 3HB ALA 121 14.231 -9.886 6.423 907 HB2 ALA 121 1HB ALA 121 14.811 -8.536 7.397 908 HB3 ALA 121 2HB ALA 121 15.460 -8.798 5.779 909 H GLY 122 H GLY 122 13.383 -6.481 7.896 910 HA2 GLY 122 2HA GLY 122 11.148 -7.753 9.207 911 HA3 GLY 122 3HA GLY 122 11.843 -6.194 9.655 912 H HIS 123 H HIS 123 11.462 -4.774 7.272 913 HA HIS 123 HA HIS 123 8.692 -4.030 7.510 914 HB2 HIS 123 2HB HIS 123 10.844 -3.336 5.501 915 HB3 HIS 123 3HB HIS 123 9.211 -2.677 5.399 916 HD1 HIS 123 HD1 HIS 123 10.812 -0.413 5.827 917 HD2 HIS 123 HD2 HIS 123 10.074 -2.919 9.076 918 HE1 HIS 123 HE1 HIS 123 11.298 0.949 7.906 919 H GLU 124 H GLU 124 10.490 -5.964 5.133 920 HA GLU 124 HA GLU 124 8.453 -6.297 3.207 921 HB2 GLU 124 2HB GLU 124 10.792 -7.082 2.929 922 HB3 GLU 124 3HB GLU 124 10.490 -8.353 4.113 923 HG2 GLU 124 2HG GLU 124 8.747 -9.309 2.683 924 HG3 GLU 124 3HG GLU 124 8.975 -8.008 1.511 925 H GLU 125 H GLU 125 9.101 -8.216 6.141 926 HA GLU 125 HA GLU 125 6.911 -10.034 5.741 927 HB2 GLU 125 2HB GLU 125 8.854 -10.432 7.270 928 HB3 GLU 125 3HB GLU 125 8.216 -9.190 8.345 929 HG2 GLU 125 2HG GLU 125 7.485 -11.345 9.169 930 HG3 GLU 125 3HG GLU 125 6.082 -10.519 8.496 931 H GLY 126 H GLY 126 7.229 -6.942 7.463 932 HA2 GLY 126 2HA GLY 126 4.591 -6.998 8.615 933 HA3 GLY 126 3HA GLY 126 5.586 -5.557 8.415 934 H TRP 127 H TRP 127 5.869 -5.551 5.602 935 HA TRP 127 HA TRP 127 3.425 -4.310 4.814 936 HB2 TRP 127 2HB TRP 127 5.792 -5.319 3.232 937 HB3 TRP 127 3HB TRP 127 4.413 -4.545 2.452 938 HD1 TRP 127 HD1 TRP 127 7.660 -3.711 3.811 939 HE1 TRP 127 HE1 TRP 127 7.839 -1.203 4.382 940 HE3 TRP 127 HE3 TRP 127 2.721 -2.414 3.661 941 HZ2 TRP 127 HZ2 TRP 127 6.115 1.054 4.734 942 HZ3 TRP 127 HZ3 TRP 127 2.019 -0.085 4.119 943 HH2 TRP 127 HH2 TRP 127 3.706 1.650 4.653 944 H ALA 128 H ALA 128 4.697 -7.572 4.205 945 HA ALA 128 HA ALA 128 2.625 -8.422 2.441 946 HB1 ALA 128 3HB ALA 128 4.100 -10.119 4.474 947 HB2 ALA 128 1HB ALA 128 4.763 -9.662 2.904 948 HB3 ALA 128 2HB ALA 128 3.328 -10.682 2.992 949 H HIS 129 H HIS 129 2.891 -8.551 5.983 950 HA HIS 129 HA HIS 129 0.358 -9.858 6.399 951 HB2 HIS 129 2HB HIS 129 2.037 -8.087 8.198 952 HB3 HIS 129 3HB HIS 129 0.618 -8.982 8.741 953 HD1 HIS 129 HD1 HIS 129 3.046 -9.843 10.147 954 HD2 HIS 129 HD2 HIS 129 2.111 -11.410 6.398 955 HE1 HIS 129 HE1 HIS 129 4.305 -12.030 9.952 956 H TYR 130 H TYR 130 1.365 -6.444 6.449 957 HA TYR 130 HA TYR 130 -1.184 -5.338 7.118 958 HB2 TYR 130 2HB TYR 130 1.314 -4.308 5.804 959 HB3 TYR 130 3HB TYR 130 -0.126 -3.295 5.788 960 HD1 TYR 130 HD2 TYR 130 1.254 -5.637 8.405 961 HD2 TYR 130 HD1 TYR 130 0.164 -1.606 7.379 962 HE1 TYR 130 HE2 TYR 130 1.718 -4.919 10.728 963 HE2 TYR 130 HE1 TYR 130 0.631 -0.894 9.704 964 HH TYR 130 HH TYR 130 0.618 -2.248 12.075 965 H LEU 131 H LEU 131 0.357 -5.916 3.960 966 HA LEU 131 HA LEU 131 -1.785 -4.893 2.373 967 HB2 LEU 131 2HB LEU 131 0.350 -6.964 1.817 968 HB3 LEU 131 3HB LEU 131 -0.763 -6.391 0.581 969 HG LEU 131 HG LEU 131 0.955 -4.511 2.226 970 HD11 LEU 131 1HD1 LEU 131 2.398 -6.104 1.010 971 HD12 LEU 131 2HD1 LEU 131 2.516 -4.486 0.317 972 HD13 LEU 131 3HD1 LEU 131 1.553 -5.724 -0.489 973 HD21 LEU 131 3HD2 LEU 131 -0.750 -4.266 -0.263 974 HD22 LEU 131 1HD2 LEU 131 0.588 -3.150 0.007 975 HD23 LEU 131 2HD2 LEU 131 -0.731 -3.237 1.167 976 H GLY 132 H GLY 132 -1.151 -8.157 3.657 977 HA2 GLY 132 2HA GLY 132 -3.272 -9.470 2.280 978 HA3 GLY 132 3HA GLY 132 -2.586 -10.012 3.812 979 H ARG 133 H ARG 133 -3.263 -7.817 5.456 980 HA ARG 133 HA ARG 133 -5.998 -8.433 6.068 981 HB2 ARG 133 2HB ARG 133 -4.180 -6.189 6.977 982 HB3 ARG 133 3HB ARG 133 -5.803 -6.437 7.621 983 HG2 ARG 133 2HG ARG 133 -5.203 -8.681 8.374 984 HG3 ARG 133 3HG ARG 133 -3.601 -8.519 7.654 985 HD2 ARG 133 2HD ARG 133 -3.458 -8.060 10.048 986 HD3 ARG 133 3HD ARG 133 -3.165 -6.571 9.148 987 HE ARG 133 HE ARG 133 -5.958 -6.779 9.766 988 HH11 ARG 133 1HH2 ARG 133 -2.850 -6.242 11.163 989 HH12 ARG 133 2HH2 ARG 133 -3.455 -5.251 12.450 990 HH21 ARG 133 1HH1 ARG 133 -6.763 -5.491 11.438 991 HH22 ARG 133 2HH1 ARG 133 -5.668 -4.826 12.604 992 H LEU 134 H LEU 134 -4.494 -5.670 4.399 993 HA LEU 134 HA LEU 134 -6.878 -4.125 4.133 994 HB2 LEU 134 2HB LEU 134 -4.660 -3.169 3.731 995 HB3 LEU 134 3HB LEU 134 -4.424 -4.242 2.354 996 HG LEU 134 HG LEU 134 -6.271 -3.173 1.157 997 HD11 LEU 134 1HD1 LEU 134 -7.853 -2.515 2.762 998 HD12 LEU 134 2HD1 LEU 134 -7.150 -0.971 2.288 999 HD13 LEU 134 3HD1 LEU 134 -6.641 -1.747 3.789 1000 HD21 LEU 134 3HD2 LEU 134 -4.301 -1.212 2.373 1001 HD22 LEU 134 1HD2 LEU 134 -5.268 -0.896 0.931 1002 HD23 LEU 134 2HD2 LEU 134 -4.056 -2.177 0.918 1003 H THR 135 H THR 135 -5.430 -6.572 1.987 1004 HA THR 135 HA THR 135 -7.339 -6.309 -0.120 1005 HB THR 135 HB THR 135 -5.755 -8.740 0.761 1006 HG1 THR 135 HG1 THR 135 -4.310 -7.278 0.143 1007 HG21 THR 135 3HG2 THR 135 -7.365 -8.120 -1.721 1008 HG22 THR 135 1HG2 THR 135 -7.504 -9.521 -0.656 1009 HG23 THR 135 2HG2 THR 135 -6.095 -9.345 -1.705 1010 H GLU 136 H GLU 136 -7.303 -8.419 2.756 1011 HA GLU 136 HA GLU 136 -9.673 -9.869 2.158 1012 HB2 GLU 136 2HB GLU 136 -8.098 -10.450 3.988 1013 HB3 GLU 136 3HB GLU 136 -8.636 -9.028 4.881 1014 HG2 GLU 136 2HG GLU 136 -10.913 -9.906 4.976 1015 HG3 GLU 136 3HG GLU 136 -10.441 -11.299 4.000 1016 H VAL 137 H VAL 137 -9.265 -6.835 4.001 1017 HA VAL 137 HA VAL 137 -12.055 -6.489 4.567 1018 HB VAL 137 HB VAL 137 -9.789 -4.486 4.346 1019 HG11 VAL 137 1HG1 VAL 137 -11.391 -3.090 5.792 1020 HG12 VAL 137 2HG1 VAL 137 -12.659 -4.185 5.245 1021 HG13 VAL 137 3HG1 VAL 137 -11.774 -3.206 4.074 1022 HG21 VAL 137 3HG2 VAL 137 -9.406 -6.045 6.132 1023 HG22 VAL 137 1HG2 VAL 137 -11.095 -5.979 6.636 1024 HG23 VAL 137 2HG2 VAL 137 -10.046 -4.583 6.881 1025 H ALA 138 H ALA 138 -9.999 -5.269 1.933 1026 HA ALA 138 HA ALA 138 -12.005 -3.721 0.631 1027 HB1 ALA 138 3HB ALA 138 -9.673 -3.490 0.004 1028 HB2 ALA 138 1HB ALA 138 -10.576 -4.035 -1.410 1029 HB3 ALA 138 2HB ALA 138 -9.600 -5.182 -0.490 1030 H ALA 139 H ALA 139 -11.500 -7.140 0.829 1031 HA ALA 139 HA ALA 139 -12.840 -7.963 -1.552 1032 HB1 ALA 139 3HB ALA 139 -12.929 -10.116 -0.571 1033 HB2 ALA 139 1HB ALA 139 -12.993 -9.463 1.065 1034 HB3 ALA 139 2HB ALA 139 -11.494 -9.379 0.140 1035 H GLY 140 H GLY 140 -14.072 -6.036 0.797 1036 HA2 GLY 140 2HA GLY 140 -16.417 -5.300 0.617 1037 HA3 GLY 140 3HA GLY 140 -16.877 -6.967 0.282 1038 H ARG 141 H ARG 141 -14.683 -7.474 2.543 1039 HA ARG 141 HA ARG 141 -16.659 -7.818 4.651 1040 HB2 ARG 141 2HB ARG 141 -13.666 -8.223 4.526 1041 HB3 ARG 141 3HB ARG 141 -14.608 -8.530 5.987 1042 HG2 ARG 141 2HG ARG 141 -15.973 -10.170 4.824 1043 HG3 ARG 141 3HG ARG 141 -15.179 -9.797 3.293 1044 HD2 ARG 141 2HD ARG 141 -14.225 -11.840 4.274 1045 HD3 ARG 141 3HD ARG 141 -13.023 -10.557 4.229 1046 HE ARG 141 HE ARG 141 -13.113 -10.418 6.613 1047 HH11 ARG 141 1HH2 ARG 141 -15.509 -12.517 5.274 1048 HH12 ARG 141 2HH2 ARG 141 -15.921 -13.226 6.798 1049 HH21 ARG 141 1HH1 ARG 141 -13.646 -11.335 8.604 1050 HH22 ARG 141 2HH1 ARG 141 -14.871 -12.557 8.680 1051 H ASP 142 H ASP 142 -16.604 -6.788 6.736 1052 HA ASP 142 HA ASP 142 -15.004 -4.280 6.955 1053 HB2 ASP 142 2HB ASP 142 -18.015 -4.501 7.181 1054 HB3 ASP 142 3HB ASP 142 -17.094 -3.116 7.770 1055 HA PRO 143 HA PRO 143 -15.304 -6.811 10.868 1056 HB2 PRO 143 2HB PRO 143 -12.645 -7.027 11.393 1057 HB3 PRO 143 3HB PRO 143 -13.479 -8.107 10.258 1058 HG2 PRO 143 2HG PRO 143 -11.785 -5.712 9.686 1059 HG3 PRO 143 3HG PRO 143 -11.825 -7.284 8.866 1060 HD2 PRO 143 2HD PRO 143 -13.096 -5.047 7.899 1061 HD3 PRO 143 3HD PRO 143 -13.646 -6.702 7.551 1062 H GLY 144 H GLY 144 -14.811 -6.132 13.091 1063 HA2 GLY 144 2HA GLY 144 -13.955 -3.256 13.344 1064 HA3 GLY 144 3HA GLY 144 -15.339 -3.899 14.216 1065 HA PRO 145 HA PRO 145 -11.576 -6.065 16.228 1066 HB2 PRO 145 2HB PRO 145 -9.055 -5.412 15.439 1067 HB3 PRO 145 3HB PRO 145 -10.028 -6.634 14.596 1068 HG2 PRO 145 2HG PRO 145 -9.513 -3.786 13.855 1069 HG3 PRO 145 3HG PRO 145 -9.582 -5.227 12.820 1070 HD2 PRO 145 2HD PRO 145 -11.672 -3.438 13.092 1071 HD3 PRO 145 3HD PRO 145 -11.890 -5.141 12.635 1072 H ASP 146 H ASP 146 -10.438 -5.422 18.148 1073 HA ASP 146 HA ASP 146 -9.622 -2.622 18.492 1074 HB2 ASP 146 2HB ASP 146 -11.161 -2.333 20.486 1075 HB3 ASP 146 3HB ASP 146 -11.968 -2.321 18.918 1076 HA PRO 147 HA PRO 147 -7.611 -6.013 21.094 1077 HB2 PRO 147 2HB PRO 147 -5.071 -5.756 20.052 1078 HB3 PRO 147 3HB PRO 147 -6.291 -6.863 19.395 1079 HG2 PRO 147 2HG PRO 147 -5.457 -4.171 18.414 1080 HG3 PRO 147 3HG PRO 147 -5.875 -5.627 17.494 1081 HD2 PRO 147 2HD PRO 147 -7.610 -3.530 17.832 1082 HD3 PRO 147 3HD PRO 147 -8.156 -5.207 17.608 1083 H PHE 148 H PHE 148 -5.662 -3.206 20.032 1084 HA PHE 148 HA PHE 148 -5.078 -2.586 22.895 1085 HB2 PHE 148 2HB PHE 148 -3.142 -2.803 21.381 1086 HB3 PHE 148 3HB PHE 148 -3.822 -1.557 20.331 1087 HD1 PHE 148 HD1 PHE 148 -2.894 -2.133 23.916 1088 HD2 PHE 148 HD2 PHE 148 -3.209 0.682 20.687 1089 HE1 PHE 148 HE1 PHE 148 -1.859 -0.385 25.338 1090 HE2 PHE 148 HE2 PHE 148 -2.176 2.430 22.110 1091 HZ PHE 148 HZ PHE 148 -1.501 1.897 24.436 1092 H TYR 149 H TYR 149 -7.242 -1.742 20.512 1093 HA TYR 149 HA TYR 149 -7.293 1.142 20.865 1094 HB2 TYR 149 2HB TYR 149 -8.239 -0.109 18.877 1095 HB3 TYR 149 3HB TYR 149 -9.552 -0.644 19.926 1096 HD1 TYR 149 HD1 TYR 149 -7.844 2.408 18.614 1097 HD2 TYR 149 HD2 TYR 149 -11.395 0.771 20.390 1098 HE1 TYR 149 HE1 TYR 149 -9.019 4.557 18.241 1099 HE2 TYR 149 HE2 TYR 149 -12.572 2.923 20.016 1100 HH TYR 149 HH TYR 149 -12.405 4.881 18.565 1101 H GLY 150 H GLY 150 -8.249 2.265 22.520 1102 HA2 GLY 150 2HA GLY 150 -10.607 1.949 23.814 1103 HA3 GLY 150 3HA GLY 150 -9.630 0.732 24.635 1104 H ARG 151 H ARG 151 -10.353 2.404 26.403 1105 HA ARG 151 HA ARG 151 -9.655 3.952 27.996 1106 HB2 ARG 151 2HB ARG 151 -7.386 2.636 27.290 1107 HB3 ARG 151 3HB ARG 151 -6.928 4.261 26.789 1108 HG2 ARG 151 2HG ARG 151 -7.965 3.512 29.548 1109 HG3 ARG 151 3HG ARG 151 -6.272 3.787 29.142 1110 HD2 ARG 151 2HD ARG 151 -6.831 6.096 28.429 1111 HD3 ARG 151 3HD ARG 151 -8.504 5.825 28.902 1112 HE ARG 151 HE ARG 151 -6.204 6.133 30.743 1113 HH11 ARG 151 1HH2 ARG 151 -9.551 5.392 30.234 1114 HH12 ARG 151 2HH2 ARG 151 -9.990 5.676 31.884 1115 HH21 ARG 151 1HH1 ARG 151 -6.777 6.489 32.890 1116 HH22 ARG 151 2HH1 ARG 151 -8.425 6.291 33.383 1117 H ARG 152 H ARG 152 -10.724 5.820 27.639 1118 HA ARG 152 HA ARG 152 -10.233 7.473 25.278 1119 HB2 ARG 152 2HB ARG 152 -11.949 7.873 27.744 1120 HB3 ARG 152 3HB ARG 152 -11.907 8.996 26.380 1121 HG2 ARG 152 2HG ARG 152 -12.583 7.163 24.860 1122 HG3 ARG 152 3HG ARG 152 -12.647 6.058 26.234 1123 HD2 ARG 152 2HD ARG 152 -14.279 8.601 26.062 1124 HD3 ARG 152 3HD ARG 152 -14.884 7.019 25.570 1125 HE ARG 152 HE ARG 152 -13.878 6.761 28.210 1126 HH11 ARG 152 1HH2 ARG 152 -16.323 8.399 26.416 1127 HH12 ARG 152 2HH2 ARG 152 -17.448 8.443 27.732 1128 HH21 ARG 152 1HH1 ARG 152 -15.334 6.802 29.940 1129 HH22 ARG 152 2HH1 ARG 152 -16.888 7.536 29.727 1130 H LEU 153 H LEU 153 -9.279 9.551 25.287 1131 HA LEU 153 HA LEU 153 -7.266 9.959 27.422 1132 HB2 LEU 153 2HB LEU 153 -6.747 11.977 25.716 1133 HB3 LEU 153 3HB LEU 153 -6.192 10.337 25.400 1134 HG LEU 153 HG LEU 153 -8.946 11.087 24.440 1135 HD11 LEU 153 1HD1 LEU 153 -7.939 11.930 22.308 1136 HD12 LEU 153 2HD1 LEU 153 -6.367 11.958 23.110 1137 HD13 LEU 153 3HD1 LEU 153 -7.670 12.998 23.686 1138 HD21 LEU 153 3HD2 LEU 153 -6.791 9.540 22.983 1139 HD22 LEU 153 1HD2 LEU 153 -8.542 9.426 22.804 1140 HD23 LEU 153 2HD2 LEU 153 -7.757 8.776 24.240 1141 H GLU 154 H GLU 154 -7.165 11.856 28.698 1142 HA GLU 154 HA GLU 154 -8.081 13.609 29.964 1143 HB2 GLU 154 2HB GLU 154 -7.669 14.757 27.789 1144 HB3 GLU 154 3HB GLU 154 -9.313 14.352 27.296 1145 HG2 GLU 154 2HG GLU 154 -10.216 15.611 29.206 1146 HG3 GLU 154 3HG GLU 154 -8.577 15.989 29.741 1147 H HIS 155 H HIS 155 -10.801 13.447 27.699 1148 HA HIS 155 HA HIS 155 -13.087 13.168 28.134 1149 HB2 HIS 155 2HB HIS 155 -12.393 10.819 28.239 1150 HB3 HIS 155 3HB HIS 155 -11.964 11.005 29.941 1151 HD1 HIS 155 HD1 HIS 155 -15.014 11.347 27.681 1152 HD2 HIS 155 HD2 HIS 155 -14.090 10.584 31.674 1153 HE1 HIS 155 HE1 HIS 155 -17.204 10.811 28.831 1154 H HIS 156 H HIS 156 -13.610 15.090 29.170 1155 HA HIS 156 HA HIS 156 -14.175 16.530 30.935 1156 HB2 HIS 156 2HB HIS 156 -15.866 14.768 31.249 1157 HB3 HIS 156 3HB HIS 156 -14.744 13.864 32.263 1158 HD1 HIS 156 HD1 HIS 156 -16.516 17.231 32.177 1159 HD2 HIS 156 HD2 HIS 156 -14.751 14.649 34.933 1160 HE1 HIS 156 HE1 HIS 156 -16.977 18.206 34.469 1161 H HIS 157 H HIS 157 -11.917 17.178 31.211 1162 HA HIS 157 HA HIS 157 -10.164 15.881 33.095 1163 HB2 HIS 157 2HB HIS 157 -8.789 17.858 32.879 1164 HB3 HIS 157 3HB HIS 157 -9.464 17.505 31.289 1165 HD1 HIS 157 HD1 HIS 157 -9.298 20.129 33.852 1166 HD2 HIS 157 HD2 HIS 157 -11.790 19.214 30.638 1167 HE1 HIS 157 HE1 HIS 157 -10.634 22.224 33.364 1168 H HIS 158 H HIS 158 -12.357 18.678 33.353 1169 HA HIS 158 HA HIS 158 -12.946 18.123 36.121 1170 HB2 HIS 158 2HB HIS 158 -10.677 19.038 36.437 1171 HB3 HIS 158 3HB HIS 158 -11.138 20.492 35.552 1172 HD1 HIS 158 HD1 HIS 158 -12.700 22.179 36.740 1173 HD2 HIS 158 HD2 HIS 158 -11.795 18.838 39.062 1174 HE1 HIS 158 HE1 HIS 158 -13.472 22.712 39.094 1175 H HIS 159 H HIS 159 -12.515 21.233 34.421 1176 HA HIS 159 HA HIS 159 -15.505 21.570 34.444 1177 HB2 HIS 159 2HB HIS 159 -14.233 22.979 36.129 1178 HB3 HIS 159 3HB HIS 159 -13.463 23.784 34.761 1179 HD1 HIS 159 HD1 HIS 159 -17.044 22.883 35.755 1180 HD2 HIS 159 HD2 HIS 159 -14.902 25.993 33.990 1181 HE1 HIS 159 HE1 HIS 159 -18.719 24.716 35.264 1182 H HIS 160 H HIS 160 -16.317 21.812 32.435 1183 HA HIS 160 HA HIS 160 -16.336 22.031 30.087 1184 HB2 HIS 160 2HB HIS 160 -14.810 24.497 30.966 1185 HB3 HIS 160 3HB HIS 160 -15.447 24.262 29.338 1186 HD1 HIS 160 HD1 HIS 160 -18.178 23.096 29.856 1187 HD2 HIS 160 HD2 HIS 160 -16.636 26.232 32.127 1188 HE1 HIS 160 HE1 HIS 160 -20.166 24.282 30.879 Start of MODEL 11 1 H1 MET 1 1H MET 1 30.988 4.101 -18.831 2 H2 MET 1 2H MET 1 30.010 2.723 -19.003 3 H3 MET 1 3H MET 1 31.479 2.625 -18.152 4 HA MET 1 HA MET 1 30.156 2.827 -16.359 5 HB2 MET 1 2HB MET 1 30.299 5.674 -17.407 6 HB3 MET 1 3HB MET 1 29.853 5.244 -15.757 7 HG2 MET 1 2HG MET 1 32.476 4.494 -17.081 8 HG3 MET 1 3HG MET 1 32.274 5.853 -15.977 9 HE1 MET 1 3HE MET 1 31.481 5.816 -13.805 10 HE2 MET 1 1HE MET 1 31.755 4.549 -12.604 11 HE3 MET 1 2HE MET 1 30.273 4.559 -13.554 12 H GLU 2 H GLU 2 28.711 2.681 -19.122 13 HA GLU 2 HA GLU 2 26.190 4.033 -18.783 14 HB2 GLU 2 2HB GLU 2 25.408 2.565 -20.593 15 HB3 GLU 2 3HB GLU 2 27.013 3.185 -20.977 16 HG2 GLU 2 2HG GLU 2 27.986 1.064 -20.033 17 HG3 GLU 2 3HG GLU 2 26.343 0.444 -19.867 18 H LYS 3 H LYS 3 27.378 0.834 -17.899 19 HA LYS 3 HA LYS 3 24.743 0.039 -16.840 20 HB2 LYS 3 2HB LYS 3 26.236 -1.619 -17.947 21 HB3 LYS 3 3HB LYS 3 27.407 -1.397 -16.645 22 HG2 LYS 3 2HG LYS 3 25.755 -2.158 -14.999 23 HG3 LYS 3 3HG LYS 3 24.542 -2.322 -16.267 24 HD2 LYS 3 2HD LYS 3 25.950 -4.022 -17.387 25 HD3 LYS 3 3HD LYS 3 27.150 -3.868 -16.102 26 HE2 LYS 3 2HE LYS 3 25.471 -4.590 -14.443 27 HE3 LYS 3 3HE LYS 3 24.267 -4.736 -15.722 28 HZ1 LYS 3 3HZ LYS 3 24.986 -6.812 -15.949 29 HZ2 LYS 3 1HZ LYS 3 26.353 -6.543 -14.979 30 HZ3 LYS 3 2HZ LYS 3 26.401 -6.169 -16.636 31 H ALA 4 H ALA 4 24.122 0.286 -14.768 32 HA ALA 4 HA ALA 4 25.822 0.140 -12.488 33 HB1 ALA 4 3HB ALA 4 25.280 2.914 -13.555 34 HB2 ALA 4 1HB ALA 4 26.818 2.218 -13.045 35 HB3 ALA 4 2HB ALA 4 25.595 2.630 -11.843 36 H MET 5 H MET 5 24.112 -1.053 -11.658 37 HA MET 5 HA MET 5 21.435 0.174 -11.539 38 HB2 MET 5 2HB MET 5 21.045 -2.138 -10.246 39 HB3 MET 5 3HB MET 5 21.144 -2.080 -12.006 40 HG2 MET 5 2HG MET 5 23.389 -2.830 -12.011 41 HG3 MET 5 3HG MET 5 23.593 -2.492 -10.291 42 HE1 MET 5 3HE MET 5 23.923 -5.346 -12.265 43 HE2 MET 5 1HE MET 5 23.820 -6.402 -10.850 44 HE3 MET 5 2HE MET 5 24.721 -4.891 -10.761 45 HA PRO 6 HA PRO 6 21.544 1.783 -7.407 46 HB2 PRO 6 2HB PRO 6 19.267 -0.047 -6.726 47 HB3 PRO 6 3HB PRO 6 19.402 1.708 -6.511 48 HG2 PRO 6 2HG PRO 6 17.933 0.649 -8.476 49 HG3 PRO 6 3HG PRO 6 18.845 2.153 -8.699 50 HD2 PRO 6 2HD PRO 6 19.427 -0.573 -9.764 51 HD3 PRO 6 3HD PRO 6 19.808 1.024 -10.440 52 H GLU 7 H GLU 7 22.511 1.305 -5.454 53 HA GLU 7 HA GLU 7 23.448 -1.490 -5.050 54 HB2 GLU 7 2HB GLU 7 25.103 0.397 -5.040 55 HB3 GLU 7 3HB GLU 7 24.267 1.073 -3.642 56 HG2 GLU 7 2HG GLU 7 24.732 -0.940 -2.341 57 HG3 GLU 7 3HG GLU 7 25.488 -1.698 -3.739 58 H SER 8 H SER 8 21.268 0.865 -3.756 59 HA SER 8 HA SER 8 21.083 -0.296 -1.091 60 HB2 SER 8 2HB SER 8 20.535 2.047 -1.413 61 HB3 SER 8 3HB SER 8 19.281 1.628 -2.577 62 HG SER 8 HG SER 8 18.404 0.331 -0.740 63 H PHE 9 H PHE 9 19.247 -1.429 -0.244 64 HA PHE 9 HA PHE 9 18.204 -3.448 -2.057 65 HB2 PHE 9 2HB PHE 9 17.751 -2.822 0.865 66 HB3 PHE 9 3HB PHE 9 16.897 -4.130 0.043 67 HD1 PHE 9 HD2 PHE 9 18.176 -6.019 -0.967 68 HD2 PHE 9 HD1 PHE 9 20.079 -3.011 1.437 69 HE1 PHE 9 HE2 PHE 9 20.157 -7.487 -0.698 70 HE2 PHE 9 HE1 PHE 9 22.061 -4.480 1.705 71 HZ PHE 9 HZ PHE 9 22.099 -6.718 0.636 72 H VAL 10 H VAL 10 16.121 -3.668 -2.825 73 HA VAL 10 HA VAL 10 14.203 -1.423 -2.290 74 HB VAL 10 HB VAL 10 14.965 -2.702 -4.925 75 HG11 VAL 10 1HG1 VAL 10 13.156 -1.106 -5.819 76 HG12 VAL 10 2HG1 VAL 10 12.566 -1.025 -4.158 77 HG13 VAL 10 3HG1 VAL 10 12.584 -2.568 -5.013 78 HG21 VAL 10 3HG2 VAL 10 15.487 -0.401 -5.547 79 HG22 VAL 10 1HG2 VAL 10 16.328 -0.792 -4.047 80 HG23 VAL 10 2HG2 VAL 10 14.862 0.188 -4.007 81 H VAL 11 H VAL 11 12.155 -2.066 -1.860 82 HA VAL 11 HA VAL 11 11.496 -4.979 -2.180 83 HB VAL 11 HB VAL 11 10.741 -3.017 -0.001 84 HG11 VAL 11 1HG1 VAL 11 9.532 -5.095 0.928 85 HG12 VAL 11 2HG1 VAL 11 9.627 -5.738 -0.712 86 HG13 VAL 11 3HG1 VAL 11 8.741 -4.245 -0.399 87 HG21 VAL 11 3HG2 VAL 11 12.956 -4.137 0.159 88 HG22 VAL 11 1HG2 VAL 11 12.155 -5.703 0.038 89 HG23 VAL 11 2HG2 VAL 11 11.860 -4.667 1.436 90 H ARG 12 H ARG 12 9.731 -5.418 -3.345 91 HA ARG 12 HA ARG 12 7.782 -3.214 -3.954 92 HB2 ARG 12 2HB ARG 12 8.837 -5.380 -5.795 93 HB3 ARG 12 3HB ARG 12 7.509 -4.288 -6.195 94 HG2 ARG 12 2HG ARG 12 9.022 -2.352 -5.871 95 HG3 ARG 12 3HG ARG 12 10.346 -3.461 -5.518 96 HD2 ARG 12 2HD ARG 12 8.774 -3.507 -8.109 97 HD3 ARG 12 3HD ARG 12 10.300 -2.645 -7.906 98 HE ARG 12 HE ARG 12 10.689 -5.330 -7.057 99 HH11 ARG 12 1HH2 ARG 12 10.012 -3.477 -9.894 100 HH12 ARG 12 2HH2 ARG 12 10.788 -4.600 -10.961 101 HH21 ARG 12 1HH1 ARG 12 11.694 -6.790 -8.435 102 HH22 ARG 12 2HH1 ARG 12 11.738 -6.470 -10.138 103 H ARG 13 H ARG 13 5.626 -3.811 -3.862 104 HA ARG 13 HA ARG 13 4.986 -6.683 -3.299 105 HB2 ARG 13 2HB ARG 13 4.109 -4.252 -1.740 106 HB3 ARG 13 3HB ARG 13 3.309 -5.816 -1.605 107 HG2 ARG 13 2HG ARG 13 6.282 -5.414 -1.189 108 HG3 ARG 13 3HG ARG 13 5.113 -5.394 0.129 109 HD2 ARG 13 2HD ARG 13 5.650 -7.642 0.209 110 HD3 ARG 13 3HD ARG 13 4.413 -7.750 -1.043 111 HE ARG 13 HE ARG 13 7.110 -7.232 -2.061 112 HH11 ARG 13 1HH2 ARG 13 4.712 -9.539 -1.151 113 HH12 ARG 13 2HH2 ARG 13 5.384 -10.809 -2.118 114 HH21 ARG 13 1HH1 ARG 13 7.987 -8.869 -3.328 115 HH22 ARG 13 2HH1 ARG 13 7.237 -10.430 -3.349 116 H GLU 14 H GLU 14 2.942 -7.349 -3.951 117 HA GLU 14 HA GLU 14 1.278 -5.390 -5.478 118 HB2 GLU 14 2HB GLU 14 2.218 -8.109 -6.440 119 HB3 GLU 14 3HB GLU 14 0.978 -7.147 -7.241 120 HG2 GLU 14 2HG GLU 14 2.915 -6.549 -8.423 121 HG3 GLU 14 3HG GLU 14 2.788 -5.252 -7.237 122 H ALA 15 H ALA 15 -0.929 -5.853 -5.440 123 HA ALA 15 HA ALA 15 -1.870 -8.344 -4.153 124 HB1 ALA 15 3HB ALA 15 -3.309 -6.919 -2.573 125 HB2 ALA 15 1HB ALA 15 -2.214 -5.589 -2.956 126 HB3 ALA 15 2HB ALA 15 -1.594 -7.046 -2.178 127 H HIS 16 H HIS 16 -3.906 -8.888 -4.849 128 HA HIS 16 HA HIS 16 -5.105 -7.152 -6.948 129 HB2 HIS 16 2HB HIS 16 -5.554 -10.048 -6.179 130 HB3 HIS 16 3HB HIS 16 -6.431 -9.222 -7.467 131 HD1 HIS 16 HD1 HIS 16 -3.091 -10.683 -6.620 132 HD2 HIS 16 HD2 HIS 16 -4.836 -8.568 -9.761 133 HE1 HIS 16 HE1 HIS 16 -1.489 -10.853 -8.578 134 H LEU 17 H LEU 17 -6.669 -5.811 -6.272 135 HA LEU 17 HA LEU 17 -8.422 -6.615 -3.978 136 HB2 LEU 17 2HB LEU 17 -7.705 -3.907 -5.126 137 HB3 LEU 17 3HB LEU 17 -8.954 -4.145 -3.907 138 HG LEU 17 HG LEU 17 -7.091 -5.389 -2.562 139 HD11 LEU 17 1HD1 LEU 17 -5.465 -3.889 -4.629 140 HD12 LEU 17 2HD1 LEU 17 -5.339 -5.583 -4.161 141 HD13 LEU 17 3HD1 LEU 17 -4.814 -4.325 -3.049 142 HD21 LEU 17 3HD2 LEU 17 -8.085 -3.188 -1.962 143 HD22 LEU 17 1HD2 LEU 17 -6.872 -2.394 -2.968 144 HD23 LEU 17 2HD2 LEU 17 -6.379 -3.296 -1.536 145 H ALA 18 H ALA 18 -10.503 -6.985 -4.357 146 HA ALA 18 HA ALA 18 -11.552 -6.723 -7.097 147 HB1 ALA 18 3HB ALA 18 -11.992 -8.779 -5.813 148 HB2 ALA 18 1HB ALA 18 -13.505 -7.944 -6.169 149 HB3 ALA 18 2HB ALA 18 -12.790 -7.831 -4.560 150 H ALA 19 H ALA 19 -11.155 -4.585 -4.704 151 HA ALA 19 HA ALA 19 -13.872 -3.370 -4.880 152 HB1 ALA 19 3HB ALA 19 -11.535 -3.076 -3.023 153 HB2 ALA 19 1HB ALA 19 -13.238 -3.309 -2.636 154 HB3 ALA 19 2HB ALA 19 -12.661 -1.729 -3.172 155 HA PRO 20 HA PRO 20 -12.564 -0.344 -7.831 156 HB2 PRO 20 2HB PRO 20 -13.963 1.892 -6.932 157 HB3 PRO 20 3HB PRO 20 -14.677 0.571 -7.875 158 HG2 PRO 20 2HG PRO 20 -14.771 1.064 -4.935 159 HG3 PRO 20 3HG PRO 20 -16.028 0.435 -6.014 160 HD2 PRO 20 2HD PRO 20 -14.575 -1.184 -4.376 161 HD3 PRO 20 3HD PRO 20 -15.191 -1.730 -5.948 162 HA PRO 21 HA PRO 21 -9.159 2.009 -6.287 163 HB2 PRO 21 2HB PRO 21 -9.311 4.333 -7.817 164 HB3 PRO 21 3HB PRO 21 -8.651 2.792 -8.400 165 HG2 PRO 21 2HG PRO 21 -11.353 3.984 -8.841 166 HG3 PRO 21 3HG PRO 21 -10.329 3.064 -9.959 167 HD2 PRO 21 2HD PRO 21 -12.463 1.944 -8.701 168 HD3 PRO 21 3HD PRO 21 -11.008 1.008 -9.101 169 H ALA 22 H ALA 22 -12.252 3.686 -6.453 170 HA ALA 22 HA ALA 22 -11.564 5.905 -4.761 171 HB1 ALA 22 3HB ALA 22 -13.988 6.213 -4.542 172 HB2 ALA 22 1HB ALA 22 -14.262 4.588 -5.166 173 HB3 ALA 22 2HB ALA 22 -13.585 5.830 -6.217 174 H ALA 23 H ALA 23 -12.833 2.674 -4.109 175 HA ALA 23 HA ALA 23 -13.326 3.086 -1.302 176 HB1 ALA 23 3HB ALA 23 -14.372 1.199 -2.330 177 HB2 ALA 23 1HB ALA 23 -13.151 0.528 -1.248 178 HB3 ALA 23 2HB ALA 23 -12.838 0.621 -2.980 179 H VAL 24 H VAL 24 -10.503 1.933 -3.117 180 HA VAL 24 HA VAL 24 -8.937 1.152 -0.848 181 HB VAL 24 HB VAL 24 -8.082 2.148 -3.577 182 HG11 VAL 24 1HG1 VAL 24 -5.955 0.863 -2.959 183 HG12 VAL 24 2HG1 VAL 24 -6.538 0.905 -1.295 184 HG13 VAL 24 3HG1 VAL 24 -6.192 2.410 -2.147 185 HG21 VAL 24 3HG2 VAL 24 -9.436 0.089 -3.614 186 HG22 VAL 24 1HG2 VAL 24 -8.368 -0.641 -2.415 187 HG23 VAL 24 2HG2 VAL 24 -7.760 -0.265 -4.027 188 H PHE 25 H PHE 25 -9.048 4.221 -2.657 189 HA PHE 25 HA PHE 25 -7.089 5.575 -1.063 190 HB2 PHE 25 2HB PHE 25 -7.789 6.456 -3.237 191 HB3 PHE 25 3HB PHE 25 -9.427 6.704 -2.625 192 HD1 PHE 25 HD1 PHE 25 -5.863 7.634 -1.952 193 HD2 PHE 25 HD2 PHE 25 -9.998 8.737 -1.571 194 HE1 PHE 25 HE1 PHE 25 -5.191 9.843 -1.049 195 HE2 PHE 25 HE2 PHE 25 -9.324 10.948 -0.670 196 HZ PHE 25 HZ PHE 25 -6.921 11.500 -0.407 197 H ALA 26 H ALA 26 -10.619 5.373 -0.811 198 HA ALA 26 HA ALA 26 -11.019 7.194 1.309 199 HB1 ALA 26 3HB ALA 26 -13.102 6.082 1.684 200 HB2 ALA 26 1HB ALA 26 -12.473 4.555 1.063 201 HB3 ALA 26 2HB ALA 26 -12.775 5.896 -0.041 202 H LEU 27 H LEU 27 -10.086 3.774 1.405 203 HA LEU 27 HA LEU 27 -10.134 3.490 4.256 204 HB2 LEU 27 2HB LEU 27 -8.544 2.069 2.110 205 HB3 LEU 27 3HB LEU 27 -8.545 1.566 3.799 206 HG LEU 27 HG LEU 27 -11.059 1.859 2.129 207 HD11 LEU 27 1HD1 LEU 27 -9.542 0.092 1.232 208 HD12 LEU 27 2HD1 LEU 27 -11.047 -0.562 1.879 209 HD13 LEU 27 3HD1 LEU 27 -9.560 -0.683 2.816 210 HD21 LEU 27 3HD2 LEU 27 -11.798 0.175 4.046 211 HD22 LEU 27 1HD2 LEU 27 -11.777 1.908 4.345 212 HD23 LEU 27 2HD2 LEU 27 -10.451 0.904 4.922 213 H MET 28 H MET 28 -7.540 4.423 2.020 214 HA MET 28 HA MET 28 -5.513 4.662 4.059 215 HB2 MET 28 2HB MET 28 -5.766 5.935 1.322 216 HB3 MET 28 3HB MET 28 -4.319 6.035 2.326 217 HG2 MET 28 2HG MET 28 -4.158 3.569 2.335 218 HG3 MET 28 3HG MET 28 -5.598 3.474 1.320 219 HE1 MET 28 3HE MET 28 -2.479 2.257 0.410 220 HE2 MET 28 1HE MET 28 -3.107 2.392 -1.238 221 HE3 MET 28 2HE MET 28 -4.182 1.942 0.082 222 H THR 29 H THR 29 -7.814 6.935 2.628 223 HA THR 29 HA THR 29 -6.785 9.227 4.104 224 HB THR 29 HB THR 29 -9.447 8.827 2.710 225 HG1 THR 29 HG1 THR 29 -7.033 10.017 1.829 226 HG21 THR 29 3HG2 THR 29 -9.416 11.331 2.615 227 HG22 THR 29 1HG2 THR 29 -8.005 11.310 3.673 228 HG23 THR 29 2HG2 THR 29 -9.553 10.696 4.253 229 H ASP 30 H ASP 30 -10.143 8.102 4.191 230 HA ASP 30 HA ASP 30 -10.867 9.078 6.632 231 HB2 ASP 30 2HB ASP 30 -11.660 6.454 5.382 232 HB3 ASP 30 3HB ASP 30 -12.424 7.081 6.843 233 HA PRO 31 HA PRO 31 -7.963 6.698 9.231 234 HB2 PRO 31 2HB PRO 31 -8.254 8.176 11.511 235 HB3 PRO 31 3HB PRO 31 -7.274 8.723 10.137 236 HG2 PRO 31 2HG PRO 31 -10.025 9.537 10.941 237 HG3 PRO 31 3HG PRO 31 -8.713 10.515 10.263 238 HD2 PRO 31 2HD PRO 31 -10.851 9.552 8.799 239 HD3 PRO 31 3HD PRO 31 -9.284 9.992 8.089 240 H GLU 32 H GLU 32 -11.305 7.400 9.843 241 HA GLU 32 HA GLU 32 -11.640 5.754 12.187 242 HB2 GLU 32 2HB GLU 32 -14.049 5.979 11.721 243 HB3 GLU 32 3HB GLU 32 -13.237 7.535 11.562 244 HG2 GLU 32 2HG GLU 32 -13.107 7.195 9.100 245 HG3 GLU 32 3HG GLU 32 -13.993 5.682 9.281 246 H LYS 33 H LYS 33 -11.922 5.151 8.724 247 HA LYS 33 HA LYS 33 -13.079 2.526 8.921 248 HB2 LYS 33 2HB LYS 33 -11.361 3.770 6.761 249 HB3 LYS 33 3HB LYS 33 -12.216 2.238 6.596 250 HG2 LYS 33 2HG LYS 33 -14.359 3.427 7.076 251 HG3 LYS 33 3HG LYS 33 -13.469 4.950 7.112 252 HD2 LYS 33 2HD LYS 33 -12.691 4.480 4.770 253 HD3 LYS 33 3HD LYS 33 -13.738 3.065 4.757 254 HE2 LYS 33 2HE LYS 33 -14.711 5.886 5.277 255 HE3 LYS 33 3HE LYS 33 -14.799 5.077 3.714 256 HZ1 LYS 33 3HZ LYS 33 -15.842 3.301 5.547 257 HZ2 LYS 33 1HZ LYS 33 -16.698 4.196 4.388 258 HZ3 LYS 33 2HZ LYS 33 -16.504 4.810 5.960 259 H ILE 34 H ILE 34 -9.779 3.712 9.056 260 HA ILE 34 HA ILE 34 -8.449 1.205 8.738 261 HB ILE 34 HB ILE 34 -7.653 3.707 10.238 262 HG12 ILE 34 2HG1 ILE 34 -6.708 2.593 7.579 263 HG13 ILE 34 3HG1 ILE 34 -7.962 3.821 7.735 264 HG21 ILE 34 1HG2 ILE 34 -6.373 1.934 11.208 265 HG22 ILE 34 2HG2 ILE 34 -5.316 2.698 10.025 266 HG23 ILE 34 3HG2 ILE 34 -6.110 1.170 9.642 267 HD11 ILE 34 3HD1 ILE 34 -6.222 5.157 9.102 268 HD12 ILE 34 1HD1 ILE 34 -5.975 5.057 7.361 269 HD13 ILE 34 2HD1 ILE 34 -5.034 4.034 8.445 270 H LEU 35 H LEU 35 -9.695 2.863 11.604 271 HA LEU 35 HA LEU 35 -8.727 1.086 13.592 272 HB2 LEU 35 2HB LEU 35 -11.416 2.484 13.595 273 HB3 LEU 35 3HB LEU 35 -10.491 1.976 15.006 274 HG LEU 35 HG LEU 35 -9.607 4.053 12.979 275 HD11 LEU 35 1HD1 LEU 35 -9.941 5.648 14.841 276 HD12 LEU 35 2HD1 LEU 35 -10.565 4.337 15.844 277 HD13 LEU 35 3HD1 LEU 35 -11.451 4.844 14.406 278 HD21 LEU 35 3HD2 LEU 35 -7.901 4.465 14.927 279 HD22 LEU 35 1HD2 LEU 35 -7.618 3.120 13.824 280 HD23 LEU 35 2HD2 LEU 35 -8.315 2.822 15.415 281 H ARG 36 H ARG 36 -11.330 0.742 11.300 282 HA ARG 36 HA ARG 36 -12.827 -1.321 12.575 283 HB2 ARG 36 2HB ARG 36 -13.564 -0.103 10.521 284 HB3 ARG 36 3HB ARG 36 -12.328 -0.964 9.609 285 HG2 ARG 36 2HG ARG 36 -13.366 -3.102 10.114 286 HG3 ARG 36 3HG ARG 36 -14.542 -2.320 11.169 287 HD2 ARG 36 2HD ARG 36 -14.256 -1.685 8.218 288 HD3 ARG 36 3HD ARG 36 -15.422 -2.844 8.862 289 HE ARG 36 HE ARG 36 -15.891 -0.524 10.314 290 HH11 ARG 36 1HH2 ARG 36 -15.760 -1.424 6.982 291 HH12 ARG 36 2HH2 ARG 36 -16.898 -0.218 6.482 292 HH21 ARG 36 1HH1 ARG 36 -17.368 1.044 9.671 293 HH22 ARG 36 2HH1 ARG 36 -17.806 1.177 8.002 294 H TRP 37 H TRP 37 -9.980 -1.491 10.447 295 HA TRP 37 HA TRP 37 -9.713 -4.392 11.187 296 HB2 TRP 37 2HB TRP 37 -8.500 -4.664 9.040 297 HB3 TRP 37 3HB TRP 37 -10.167 -4.148 8.811 298 HD1 TRP 37 HD1 TRP 37 -10.557 -1.522 8.243 299 HE1 TRP 37 HE1 TRP 37 -9.055 0.135 6.972 300 HE3 TRP 37 HE3 TRP 37 -6.108 -3.998 8.504 301 HZ2 TRP 37 HZ2 TRP 37 -6.325 0.380 6.169 302 HZ3 TRP 37 HZ3 TRP 37 -4.074 -3.037 7.470 303 HH2 TRP 37 HH2 TRP 37 -4.179 -0.853 6.303 304 H MET 38 H MET 38 -8.669 -3.042 13.068 305 HA MET 38 HA MET 38 -6.653 -2.958 14.258 306 HB2 MET 38 2HB MET 38 -5.888 -4.615 12.335 307 HB3 MET 38 3HB MET 38 -4.993 -3.209 11.761 308 HG2 MET 38 2HG MET 38 -3.966 -2.985 14.019 309 HG3 MET 38 3HG MET 38 -4.797 -4.460 14.512 310 HE1 MET 38 3HE MET 38 -3.220 -6.597 14.647 311 HE2 MET 38 1HE MET 38 -2.572 -5.082 15.289 312 HE3 MET 38 2HE MET 38 -1.542 -6.158 14.346 313 H GLY 39 H GLY 39 -5.149 -1.332 14.757 314 HA2 GLY 39 2HA GLY 39 -3.902 0.664 13.599 315 HA3 GLY 39 3HA GLY 39 -5.542 1.192 13.223 316 H THR 40 H THR 40 -6.489 -0.015 15.818 317 HA THR 40 HA THR 40 -6.910 0.744 17.993 318 HB THR 40 HB THR 40 -5.052 1.251 19.350 319 HG1 THR 40 HG1 THR 40 -3.194 1.838 17.475 320 HG21 THR 40 3HG2 THR 40 -3.725 -0.151 17.033 321 HG22 THR 40 1HG2 THR 40 -4.922 -0.944 18.056 322 HG23 THR 40 2HG2 THR 40 -3.412 -0.358 18.755 323 H GLU 41 H GLU 41 -4.743 3.302 16.787 324 HA GLU 41 HA GLU 41 -7.025 5.234 16.976 325 HB2 GLU 41 2HB GLU 41 -4.191 5.599 17.988 326 HB3 GLU 41 3HB GLU 41 -5.387 6.892 17.890 327 HG2 GLU 41 2HG GLU 41 -5.753 4.328 19.469 328 HG3 GLU 41 3HG GLU 41 -5.259 5.871 20.167 329 H ALA 42 H ALA 42 -7.019 6.845 15.447 330 HA ALA 42 HA ALA 42 -4.741 7.167 13.614 331 HB1 ALA 42 3HB ALA 42 -7.401 6.028 12.718 332 HB2 ALA 42 1HB ALA 42 -5.806 5.303 12.521 333 HB3 ALA 42 2HB ALA 42 -6.239 6.750 11.607 334 H GLU 43 H GLU 43 -4.635 9.306 13.223 335 HA GLU 43 HA GLU 43 -7.133 10.880 12.900 336 HB2 GLU 43 2HB GLU 43 -4.968 11.463 14.937 337 HB3 GLU 43 3HB GLU 43 -6.140 12.670 14.406 338 HG2 GLU 43 2HG GLU 43 -7.985 11.193 15.117 339 HG3 GLU 43 3HG GLU 43 -6.815 9.988 15.650 340 H VAL 44 H VAL 44 -6.862 11.779 10.966 341 HA VAL 44 HA VAL 44 -4.191 12.957 10.264 342 HB VAL 44 HB VAL 44 -6.150 11.457 8.509 343 HG11 VAL 44 1HG1 VAL 44 -3.842 13.283 7.813 344 HG12 VAL 44 2HG1 VAL 44 -5.482 13.304 7.169 345 HG13 VAL 44 3HG1 VAL 44 -4.373 12.010 6.714 346 HG21 VAL 44 3HG2 VAL 44 -3.196 11.061 9.072 347 HG22 VAL 44 1HG2 VAL 44 -4.225 10.007 8.103 348 HG23 VAL 44 2HG2 VAL 44 -4.493 10.144 9.841 349 H GLU 45 H GLU 45 -4.275 15.051 9.693 350 HA GLU 45 HA GLU 45 -6.903 16.219 8.906 351 HB2 GLU 45 2HB GLU 45 -5.118 16.999 11.186 352 HB3 GLU 45 3HB GLU 45 -5.932 18.295 10.310 353 HG2 GLU 45 2HG GLU 45 -7.319 17.579 12.197 354 HG3 GLU 45 3HG GLU 45 -8.108 17.136 10.683 355 HA PRO 46 HA PRO 46 -4.950 18.195 5.485 356 HB2 PRO 46 2HB PRO 46 -5.715 20.831 6.687 357 HB3 PRO 46 3HB PRO 46 -6.027 20.203 5.058 358 HG2 PRO 46 2HG PRO 46 -7.910 20.292 7.033 359 HG3 PRO 46 3HG PRO 46 -7.934 19.130 5.698 360 HD2 PRO 46 2HD PRO 46 -7.411 18.633 8.546 361 HD3 PRO 46 3HD PRO 46 -7.744 17.474 7.244 362 H GLU 47 H GLU 47 -2.924 18.874 5.013 363 HA GLU 47 HA GLU 47 -0.777 19.726 5.243 364 HB2 GLU 47 2HB GLU 47 -0.730 21.839 6.108 365 HB3 GLU 47 3HB GLU 47 -2.391 21.590 6.626 366 HG2 GLU 47 2HG GLU 47 -1.517 20.631 8.786 367 HG3 GLU 47 3HG GLU 47 0.114 21.031 8.258 368 HA PRO 48 HA PRO 48 1.176 16.908 8.028 369 HB2 PRO 48 2HB PRO 48 3.572 18.195 8.564 370 HB3 PRO 48 3HB PRO 48 3.223 17.332 7.053 371 HG2 PRO 48 2HG PRO 48 3.098 20.262 7.627 372 HG3 PRO 48 3HG PRO 48 3.697 19.419 6.187 373 HD2 PRO 48 2HD PRO 48 1.246 20.594 6.245 374 HD3 PRO 48 3HD PRO 48 1.557 19.112 5.310 375 H GLY 49 H GLY 49 1.381 16.503 10.218 376 HA2 GLY 49 2HA GLY 49 1.897 17.278 12.513 377 HA3 GLY 49 3HA GLY 49 1.097 18.803 12.128 378 H GLY 50 H GLY 50 0.355 15.314 12.038 379 HA2 GLY 50 2HA GLY 50 -2.481 15.644 12.256 380 HA3 GLY 50 3HA GLY 50 -1.606 14.154 12.595 381 H LEU 51 H LEU 51 -3.857 15.379 14.044 382 HA LEU 51 HA LEU 51 -2.853 16.447 16.552 383 HB2 LEU 51 2HB LEU 51 -5.554 15.210 15.947 384 HB3 LEU 51 3HB LEU 51 -5.162 16.248 17.317 385 HG LEU 51 HG LEU 51 -5.020 17.064 14.398 386 HD11 LEU 51 1HD1 LEU 51 -6.961 18.479 14.947 387 HD12 LEU 51 2HD1 LEU 51 -6.970 17.841 16.591 388 HD13 LEU 51 3HD1 LEU 51 -7.332 16.779 15.230 389 HD21 LEU 51 3HD2 LEU 51 -4.311 18.436 16.992 390 HD22 LEU 51 1HD2 LEU 51 -4.873 19.392 15.620 391 HD23 LEU 51 2HD2 LEU 51 -3.420 18.409 15.470 392 H TYR 52 H TYR 52 -2.617 15.388 18.502 393 HA TYR 52 HA TYR 52 -1.847 13.581 19.798 394 HB2 TYR 52 2HB TYR 52 -4.417 12.420 18.687 395 HB3 TYR 52 3HB TYR 52 -3.564 11.842 20.117 396 HD1 TYR 52 HD1 TYR 52 -3.413 13.242 22.155 397 HD2 TYR 52 HD2 TYR 52 -5.703 14.463 18.733 398 HE1 TYR 52 HE1 TYR 52 -4.573 14.942 23.539 399 HE2 TYR 52 HE2 TYR 52 -6.863 16.163 20.116 400 HH TYR 52 HH TYR 52 -6.570 17.393 22.147 401 H LEU 53 H LEU 53 -2.221 10.827 19.473 402 HA LEU 53 HA LEU 53 -0.104 10.259 17.575 403 HB2 LEU 53 2HB LEU 53 -1.793 8.606 19.438 404 HB3 LEU 53 3HB LEU 53 -0.706 7.826 18.290 405 HG LEU 53 HG LEU 53 0.307 8.232 20.567 406 HD11 LEU 53 1HD1 LEU 53 2.412 8.608 19.690 407 HD12 LEU 53 2HD1 LEU 53 1.883 9.939 18.666 408 HD13 LEU 53 3HD1 LEU 53 1.553 8.273 18.191 409 HD21 LEU 53 3HD2 LEU 53 0.786 10.451 21.309 410 HD22 LEU 53 1HD2 LEU 53 -0.903 10.484 20.800 411 HD23 LEU 53 2HD2 LEU 53 0.349 11.147 19.749 412 H VAL 54 H VAL 54 -0.230 9.111 15.655 413 HA VAL 54 HA VAL 54 -2.946 8.419 14.635 414 HB VAL 54 HB VAL 54 -2.570 10.619 13.741 415 HG11 VAL 54 1HG1 VAL 54 0.138 9.602 12.824 416 HG12 VAL 54 2HG1 VAL 54 -0.127 10.713 14.169 417 HG13 VAL 54 3HG1 VAL 54 -0.521 11.209 12.522 418 HG21 VAL 54 3HG2 VAL 54 -1.670 8.748 11.545 419 HG22 VAL 54 1HG2 VAL 54 -2.717 10.161 11.414 420 HG23 VAL 54 2HG2 VAL 54 -3.308 8.694 12.193 421 H ASN 55 H ASN 55 -2.976 6.616 13.394 422 HA ASN 55 HA ASN 55 -0.476 5.054 13.180 423 HB2 ASN 55 2HB ASN 55 -2.596 4.033 14.020 424 HB3 ASN 55 3HB ASN 55 -3.315 4.296 12.433 425 HD21 ASN 55 1HD2 ASN 55 -3.421 2.185 11.577 426 HD22 ASN 55 2HD2 ASN 55 -2.086 1.146 11.446 427 H VAL 56 H VAL 56 0.535 6.340 11.528 428 HA VAL 56 HA VAL 56 -0.702 6.804 8.949 429 HB VAL 56 HB VAL 56 1.500 7.564 8.257 430 HG11 VAL 56 1HG1 VAL 56 1.823 9.302 9.857 431 HG12 VAL 56 2HG1 VAL 56 1.183 8.310 11.168 432 HG13 VAL 56 3HG1 VAL 56 0.103 8.914 9.911 433 HG21 VAL 56 3HG2 VAL 56 3.384 7.322 10.020 434 HG22 VAL 56 1HG2 VAL 56 2.984 5.893 9.069 435 HG23 VAL 56 2HG2 VAL 56 2.388 6.048 10.721 436 H THR 57 H THR 57 1.561 6.014 7.322 437 HA THR 57 HA THR 57 1.116 3.048 7.216 438 HB THR 57 HB THR 57 0.101 4.001 5.295 439 HG1 THR 57 HG1 THR 57 1.844 2.331 5.028 440 HG21 THR 57 3HG2 THR 57 1.018 6.263 5.466 441 HG22 THR 57 1HG2 THR 57 1.281 5.634 3.841 442 HG23 THR 57 2HG2 THR 57 2.613 5.676 4.996 443 H GLY 58 H GLY 58 2.873 1.792 7.346 444 HA2 GLY 58 2HA GLY 58 5.141 1.136 6.975 445 HA3 GLY 58 3HA GLY 58 5.547 2.807 6.577 446 H ALA 59 H ALA 59 3.754 3.228 9.212 447 HA ALA 59 HA ALA 59 5.402 2.281 11.371 448 HB1 ALA 59 3HB ALA 59 5.809 5.196 10.658 449 HB2 ALA 59 1HB ALA 59 6.991 3.932 10.325 450 HB3 ALA 59 2HB ALA 59 6.562 4.320 11.989 451 H ARG 60 H ARG 60 5.054 4.836 12.897 452 HA ARG 60 HA ARG 60 2.154 5.299 12.926 453 HB2 ARG 60 2HB ARG 60 2.093 4.658 15.432 454 HB3 ARG 60 3HB ARG 60 2.049 3.350 14.255 455 HG2 ARG 60 2HG ARG 60 4.494 3.043 14.514 456 HG3 ARG 60 3HG ARG 60 4.520 4.331 15.722 457 HD2 ARG 60 2HD ARG 60 2.976 3.042 17.142 458 HD3 ARG 60 3HD ARG 60 2.914 1.769 15.927 459 HE ARG 60 HE ARG 60 5.121 1.098 16.547 460 HH11 ARG 60 1HH2 ARG 60 4.086 3.982 18.155 461 HH12 ARG 60 2HH2 ARG 60 5.378 3.945 19.308 462 HH21 ARG 60 1HH1 ARG 60 6.793 1.053 18.037 463 HH22 ARG 60 2HH1 ARG 60 6.906 2.292 19.241 464 H PHE 61 H PHE 61 2.058 7.436 13.141 465 HA PHE 61 HA PHE 61 2.551 9.622 13.807 466 HB2 PHE 61 2HB PHE 61 1.704 8.859 15.935 467 HB3 PHE 61 3HB PHE 61 3.252 8.117 16.336 468 HD1 PHE 61 HD2 PHE 61 1.697 11.415 15.475 469 HD2 PHE 61 HD1 PHE 61 4.907 9.366 17.465 470 HE1 PHE 61 HE2 PHE 61 2.476 13.565 16.436 471 HE2 PHE 61 HE1 PHE 61 5.685 11.516 18.424 472 HZ PHE 61 HZ PHE 61 4.469 13.615 17.909 473 H ALA 62 H ALA 62 4.305 11.083 14.626 474 HA ALA 62 HA ALA 62 6.521 11.833 14.572 475 HB1 ALA 62 3HB ALA 62 8.227 10.388 15.264 476 HB2 ALA 62 1HB ALA 62 7.518 8.990 14.460 477 HB3 ALA 62 2HB ALA 62 6.799 9.611 15.944 478 H ARG 63 H ARG 63 5.239 9.619 12.287 479 HA ARG 63 HA ARG 63 7.151 10.635 10.218 480 HB2 ARG 63 2HB ARG 63 5.979 7.857 10.460 481 HB3 ARG 63 3HB ARG 63 6.961 8.423 9.113 482 HG2 ARG 63 2HG ARG 63 8.045 8.654 11.919 483 HG3 ARG 63 3HG ARG 63 8.088 7.091 11.116 484 HD2 ARG 63 2HD ARG 63 10.186 8.156 10.650 485 HD3 ARG 63 3HD ARG 63 9.245 8.251 9.165 486 HE ARG 63 HE ARG 63 9.038 10.609 9.484 487 HH11 ARG 63 1HH2 ARG 63 10.483 9.008 12.179 488 HH12 ARG 63 2HH2 ARG 63 11.029 10.474 12.917 489 HH21 ARG 63 1HH1 ARG 63 9.731 12.518 10.438 490 HH22 ARG 63 2HH1 ARG 63 10.606 12.462 11.934 491 H GLY 64 H GLY 64 6.272 10.787 8.108 492 HA2 GLY 64 2HA GLY 64 4.285 10.482 6.618 493 HA3 GLY 64 3HA GLY 64 3.274 10.917 7.999 494 H SER 65 H SER 65 5.629 12.163 5.686 495 HA SER 65 HA SER 65 4.938 14.968 6.476 496 HB2 SER 65 2HB SER 65 6.903 15.604 5.125 497 HB3 SER 65 3HB SER 65 7.349 14.413 6.345 498 HG SER 65 HG SER 65 7.719 12.993 4.821 499 H PHE 66 H PHE 66 3.888 12.613 4.450 500 HA PHE 66 HA PHE 66 2.871 12.567 2.320 501 HB2 PHE 66 2HB PHE 66 1.770 15.088 3.593 502 HB3 PHE 66 3HB PHE 66 1.085 14.332 2.152 503 HD1 PHE 66 HD1 PHE 66 0.182 11.997 2.270 504 HD2 PHE 66 HD2 PHE 66 1.431 14.139 5.778 505 HE1 PHE 66 HE1 PHE 66 -1.049 10.383 3.693 506 HE2 PHE 66 HE2 PHE 66 0.199 12.524 7.202 507 HZ PHE 66 HZ PHE 66 -1.042 10.647 6.160 508 H ARG 67 H ARG 67 4.900 12.922 1.175 509 HA ARG 67 HA ARG 67 5.783 15.532 0.340 510 HB2 ARG 67 2HB ARG 67 7.209 13.481 0.258 511 HB3 ARG 67 3HB ARG 67 6.185 12.860 -1.036 512 HG2 ARG 67 2HG ARG 67 6.753 14.815 -2.432 513 HG3 ARG 67 3HG ARG 67 7.779 15.438 -1.141 514 HD2 ARG 67 2HD ARG 67 9.118 13.327 -1.262 515 HD3 ARG 67 3HD ARG 67 8.157 12.840 -2.656 516 HE ARG 67 HE ARG 67 10.193 14.975 -2.611 517 HH11 ARG 67 1HH2 ARG 67 7.552 13.433 -4.230 518 HH12 ARG 67 2HH2 ARG 67 7.984 14.055 -5.786 519 HH21 ARG 67 1HH1 ARG 67 10.753 15.781 -4.626 520 HH22 ARG 67 2HH1 ARG 67 9.793 15.383 -6.012 521 H GLU 68 H GLU 68 3.682 13.075 -1.144 522 HA GLU 68 HA GLU 68 2.422 15.200 -2.769 523 HB2 GLU 68 2HB GLU 68 4.316 14.384 -4.160 524 HB3 GLU 68 3HB GLU 68 3.666 12.749 -4.049 525 HG2 GLU 68 2HG GLU 68 1.605 13.450 -5.156 526 HG3 GLU 68 3HG GLU 68 2.163 15.123 -5.191 527 H VAL 69 H VAL 69 0.273 14.834 -2.829 528 HA VAL 69 HA VAL 69 -0.726 12.028 -2.470 529 HB VAL 69 HB VAL 69 -1.687 14.563 -1.121 530 HG11 VAL 69 1HG1 VAL 69 -3.442 12.898 -0.152 531 HG12 VAL 69 2HG1 VAL 69 -3.072 11.913 -1.569 532 HG13 VAL 69 3HG1 VAL 69 -3.716 13.541 -1.770 533 HG21 VAL 69 3HG2 VAL 69 0.130 13.359 0.005 534 HG22 VAL 69 1HG2 VAL 69 -0.772 11.849 -0.115 535 HG23 VAL 69 2HG2 VAL 69 -1.368 13.154 0.911 536 H VAL 70 H VAL 70 -2.132 11.426 -3.971 537 HA VAL 70 HA VAL 70 -3.745 13.447 -5.428 538 HB VAL 70 HB VAL 70 -2.332 11.261 -6.960 539 HG11 VAL 70 1HG1 VAL 70 -2.881 12.627 -8.852 540 HG12 VAL 70 2HG1 VAL 70 -3.264 14.011 -7.827 541 HG13 VAL 70 3HG1 VAL 70 -4.330 12.608 -7.848 542 HG21 VAL 70 3HG2 VAL 70 -1.322 14.012 -6.194 543 HG22 VAL 70 1HG2 VAL 70 -0.706 13.137 -7.595 544 HG23 VAL 70 2HG2 VAL 70 -0.509 12.463 -5.977 545 HA PRO 71 HA PRO 71 -6.417 10.014 -3.817 546 HB2 PRO 71 2HB PRO 71 -8.345 11.897 -5.161 547 HB3 PRO 71 3HB PRO 71 -8.504 11.047 -3.607 548 HG2 PRO 71 2HG PRO 71 -7.868 13.593 -3.628 549 HG3 PRO 71 3HG PRO 71 -7.019 12.485 -2.535 550 HD2 PRO 71 2HD PRO 71 -6.048 13.701 -5.100 551 HD3 PRO 71 3HD PRO 71 -5.152 13.359 -3.603 552 H VAL 72 H VAL 72 -7.480 8.302 -4.851 553 HA VAL 72 HA VAL 72 -7.512 6.738 -6.634 554 HB VAL 72 HB VAL 72 -9.252 7.474 -8.351 555 HG11 VAL 72 1HG1 VAL 72 -9.779 6.257 -6.252 556 HG12 VAL 72 2HG1 VAL 72 -11.066 7.379 -6.701 557 HG13 VAL 72 3HG1 VAL 72 -9.935 7.800 -5.414 558 HG21 VAL 72 3HG2 VAL 72 -10.434 9.550 -7.933 559 HG22 VAL 72 1HG2 VAL 72 -8.724 9.926 -8.134 560 HG23 VAL 72 2HG2 VAL 72 -9.434 9.885 -6.519 561 H HIS 73 H HIS 73 -5.130 7.707 -6.924 562 HA HIS 73 HA HIS 73 -4.651 7.762 -9.777 563 HB2 HIS 73 2HB HIS 73 -5.372 10.134 -9.402 564 HB3 HIS 73 3HB HIS 73 -4.054 10.311 -8.242 565 HD1 HIS 73 HD1 HIS 73 -1.584 10.072 -9.209 566 HD2 HIS 73 HD2 HIS 73 -4.590 10.281 -12.090 567 HE1 HIS 73 HE1 HIS 73 -0.431 10.553 -11.415 568 H ARG 74 H ARG 74 -2.848 9.443 -7.194 569 HA ARG 74 HA ARG 74 -0.981 7.174 -6.945 570 HB2 ARG 74 2HB ARG 74 -0.184 8.346 -8.974 571 HB3 ARG 74 3HB ARG 74 -0.041 9.837 -8.044 572 HG2 ARG 74 2HG ARG 74 1.629 8.841 -6.593 573 HG3 ARG 74 3HG ARG 74 1.407 7.266 -7.354 574 HD2 ARG 74 2HD ARG 74 3.405 8.321 -8.276 575 HD3 ARG 74 3HD ARG 74 2.162 8.256 -9.524 576 HE ARG 74 HE ARG 74 1.999 10.751 -8.107 577 HH11 ARG 74 1HH2 ARG 74 3.881 8.986 -10.407 578 HH12 ARG 74 2HH2 ARG 74 4.469 10.408 -11.202 579 HH21 ARG 74 1HH1 ARG 74 2.758 12.598 -9.136 580 HH22 ARG 74 2HH1 ARG 74 3.835 12.450 -10.484 581 H LEU 75 H LEU 75 0.222 7.263 -5.057 582 HA LEU 75 HA LEU 75 0.029 9.739 -3.394 583 HB2 LEU 75 2HB LEU 75 -1.749 7.945 -2.829 584 HB3 LEU 75 3HB LEU 75 -0.402 6.980 -2.229 585 HG LEU 75 HG LEU 75 -1.013 9.807 -1.315 586 HD11 LEU 75 1HD1 LEU 75 -1.855 8.732 0.751 587 HD12 LEU 75 2HD1 LEU 75 -1.670 7.152 -0.014 588 HD13 LEU 75 3HD1 LEU 75 -2.826 8.318 -0.662 589 HD21 LEU 75 3HD2 LEU 75 1.224 9.499 -0.766 590 HD22 LEU 75 1HD2 LEU 75 1.065 7.751 -0.597 591 HD23 LEU 75 2HD2 LEU 75 0.467 8.824 0.669 592 H ALA 76 H ALA 76 2.058 10.271 -2.818 593 HA ALA 76 HA ALA 76 4.014 8.099 -2.179 594 HB1 ALA 76 3HB ALA 76 5.776 9.398 -3.356 595 HB2 ALA 76 1HB ALA 76 4.540 10.514 -3.936 596 HB3 ALA 76 2HB ALA 76 4.522 8.829 -4.458 597 H TYR 77 H TYR 77 5.362 8.592 -0.476 598 HA TYR 77 HA TYR 77 5.442 11.350 0.577 599 HB2 TYR 77 2HB TYR 77 4.749 10.633 2.838 600 HB3 TYR 77 3HB TYR 77 3.456 10.394 1.663 601 HD1 TYR 77 HD2 TYR 77 2.919 8.124 0.821 602 HD2 TYR 77 HD1 TYR 77 5.859 8.760 3.890 603 HE1 TYR 77 HE2 TYR 77 2.831 5.716 1.406 604 HE2 TYR 77 HE1 TYR 77 5.768 6.352 4.475 605 HH TYR 77 HH TYR 77 3.599 4.118 2.733 606 H SER 78 H SER 78 7.181 11.702 1.993 607 HA SER 78 HA SER 78 9.423 9.851 1.625 608 HB2 SER 78 2HB SER 78 10.748 11.587 2.692 609 HB3 SER 78 3HB SER 78 9.668 12.339 1.521 610 HG SER 78 HG SER 78 9.388 13.511 3.334 611 H PHE 79 H PHE 79 10.720 9.119 3.483 612 HA PHE 79 HA PHE 79 9.142 8.768 6.005 613 HB2 PHE 79 2HB PHE 79 8.946 6.734 4.587 614 HB3 PHE 79 3HB PHE 79 10.704 6.599 4.577 615 HD1 PHE 79 HD1 PHE 79 7.885 7.033 7.011 616 HD2 PHE 79 HD2 PHE 79 11.702 5.235 6.205 617 HE1 PHE 79 HE1 PHE 79 7.782 5.841 9.181 618 HE2 PHE 79 HE2 PHE 79 11.600 4.047 8.380 619 HZ PHE 79 HZ PHE 79 9.641 4.351 9.869 620 H GLY 80 H GLY 80 10.430 8.445 7.863 621 HA2 GLY 80 2HA GLY 80 12.447 8.405 9.130 622 HA3 GLY 80 3HA GLY 80 13.360 8.651 7.644 623 H TRP 81 H TRP 81 14.263 10.590 7.458 624 HA TRP 81 HA TRP 81 14.746 12.843 7.777 625 HB2 TRP 81 2HB TRP 81 11.725 12.851 7.799 626 HB3 TRP 81 3HB TRP 81 12.633 14.339 8.049 627 HD1 TRP 81 HD1 TRP 81 13.736 11.533 5.671 628 HE1 TRP 81 HE1 TRP 81 13.789 12.470 3.276 629 HE3 TRP 81 HE3 TRP 81 11.735 16.160 6.490 630 HZ2 TRP 81 HZ2 TRP 81 13.076 14.861 1.885 631 HZ3 TRP 81 HZ3 TRP 81 11.434 17.745 4.610 632 HH2 TRP 81 HH2 TRP 81 12.103 17.103 2.311 633 H ASP 82 H ASP 82 15.708 13.639 9.495 634 HA ASP 82 HA ASP 82 16.212 14.143 11.722 635 HB2 ASP 82 2HB ASP 82 13.205 14.508 11.700 636 HB3 ASP 82 3HB ASP 82 14.192 14.868 13.115 637 H GLY 83 H GLY 83 15.675 11.342 10.922 638 HA2 GLY 83 2HA GLY 83 14.379 10.097 13.243 639 HA3 GLY 83 3HA GLY 83 15.143 9.246 11.902 640 H SER 84 H SER 84 15.438 8.855 14.830 641 HA SER 84 HA SER 84 18.361 9.441 15.160 642 HB2 SER 84 2HB SER 84 17.082 10.397 16.950 643 HB3 SER 84 3HB SER 84 16.164 8.910 17.168 644 HG SER 84 HG SER 84 18.685 9.600 18.032 645 H GLU 85 H GLU 85 19.680 7.770 14.913 646 HA GLU 85 HA GLU 85 20.442 5.579 14.638 647 HB2 GLU 85 2HB GLU 85 18.582 5.215 17.010 648 HB3 GLU 85 3HB GLU 85 19.732 3.995 16.456 649 HG2 GLU 85 2HG GLU 85 21.596 5.537 16.818 650 HG3 GLU 85 3HG GLU 85 20.476 6.815 17.290 651 H VAL 86 H VAL 86 17.987 6.436 13.167 652 HA VAL 86 HA VAL 86 17.272 3.775 12.193 653 HB VAL 86 HB VAL 86 15.739 4.060 14.126 654 HG11 VAL 86 1HG1 VAL 86 14.319 6.237 12.600 655 HG12 VAL 86 2HG1 VAL 86 15.643 6.650 13.691 656 HG13 VAL 86 3HG1 VAL 86 14.215 5.823 14.311 657 HG21 VAL 86 3HG2 VAL 86 13.742 3.411 12.941 658 HG22 VAL 86 1HG2 VAL 86 15.122 2.796 12.031 659 HG23 VAL 86 2HG2 VAL 86 14.276 4.241 11.478 660 H VAL 87 H VAL 87 17.433 4.050 10.073 661 HA VAL 87 HA VAL 87 17.376 5.029 7.956 662 HB VAL 87 HB VAL 87 14.786 6.076 9.116 663 HG11 VAL 87 1HG1 VAL 87 15.906 6.075 6.298 664 HG12 VAL 87 2HG1 VAL 87 15.303 7.455 7.215 665 HG13 VAL 87 3HG1 VAL 87 14.181 6.224 6.634 666 HG21 VAL 87 3HG2 VAL 87 13.894 4.176 7.698 667 HG22 VAL 87 1HG2 VAL 87 14.885 3.654 9.058 668 HG23 VAL 87 2HG2 VAL 87 15.563 3.673 7.430 669 HA PRO 88 HA PRO 88 19.389 8.942 9.390 670 HB2 PRO 88 2HB PRO 88 20.633 8.571 6.688 671 HB3 PRO 88 3HB PRO 88 21.414 8.934 8.235 672 HG2 PRO 88 2HG PRO 88 21.553 6.510 7.147 673 HG3 PRO 88 3HG PRO 88 21.444 6.742 8.901 674 HD2 PRO 88 2HD PRO 88 19.339 5.814 6.991 675 HD3 PRO 88 3HD PRO 88 19.586 5.379 8.697 676 HA PRO 89 HA PRO 89 16.905 11.963 7.339 677 HB2 PRO 89 2HB PRO 89 18.851 13.873 6.592 678 HB3 PRO 89 3HB PRO 89 18.054 13.771 8.175 679 HG2 PRO 89 2HG PRO 89 20.706 12.691 7.321 680 HG3 PRO 89 3HG PRO 89 20.248 13.478 8.843 681 HD2 PRO 89 2HD PRO 89 20.523 10.847 8.756 682 HD3 PRO 89 3HD PRO 89 19.175 11.554 9.663 683 H GLY 90 H GLY 90 16.049 12.173 5.345 684 HA2 GLY 90 2HA GLY 90 15.959 12.396 2.994 685 HA3 GLY 90 3HA GLY 90 17.709 12.203 2.933 686 H SER 91 H SER 91 16.724 10.860 1.030 687 HA SER 91 HA SER 91 16.462 8.754 0.068 688 HB2 SER 91 2HB SER 91 17.434 7.471 2.609 689 HB3 SER 91 3HB SER 91 17.784 7.040 0.936 690 HG SER 91 HG SER 91 19.054 8.758 2.602 691 H SER 92 H SER 92 15.863 6.293 1.288 692 HA SER 92 HA SER 92 13.888 5.070 1.664 693 HB2 SER 92 2HB SER 92 12.804 5.809 3.896 694 HB3 SER 92 3HB SER 92 14.481 5.275 3.930 695 HG SER 92 HG SER 92 14.389 7.192 5.024 696 H LEU 93 H LEU 93 12.695 5.703 -0.167 697 HA LEU 93 HA LEU 93 10.558 7.728 0.378 698 HB2 LEU 93 2HB LEU 93 12.165 8.493 -1.356 699 HB3 LEU 93 3HB LEU 93 11.802 7.051 -2.303 700 HG LEU 93 HG LEU 93 9.416 7.745 -2.409 701 HD11 LEU 93 1HD1 LEU 93 8.954 9.070 -0.540 702 HD12 LEU 93 2HD1 LEU 93 9.117 10.303 -1.785 703 HD13 LEU 93 3HD1 LEU 93 10.456 9.983 -0.683 704 HD21 LEU 93 3HD2 LEU 93 11.089 8.414 -4.154 705 HD22 LEU 93 1HD2 LEU 93 11.297 9.946 -3.305 706 HD23 LEU 93 2HD2 LEU 93 9.734 9.535 -4.013 707 H VAL 94 H VAL 94 8.562 6.931 0.341 708 HA VAL 94 HA VAL 94 8.123 4.189 -0.773 709 HB VAL 94 HB VAL 94 6.494 5.838 1.181 710 HG11 VAL 94 1HG1 VAL 94 4.965 4.448 -0.009 711 HG12 VAL 94 2HG1 VAL 94 5.331 3.566 1.474 712 HG13 VAL 94 3HG1 VAL 94 6.101 3.099 -0.043 713 HG21 VAL 94 3HG2 VAL 94 8.336 3.450 1.475 714 HG22 VAL 94 1HG2 VAL 94 7.217 3.967 2.737 715 HG23 VAL 94 2HG2 VAL 94 8.519 5.038 2.218 716 H GLU 95 H GLU 95 6.833 3.956 -2.536 717 HA GLU 95 HA GLU 95 5.124 6.275 -3.377 718 HB2 GLU 95 2HB GLU 95 6.989 4.604 -5.079 719 HB3 GLU 95 3HB GLU 95 5.752 5.672 -5.746 720 HG2 GLU 95 2HG GLU 95 6.753 7.591 -4.586 721 HG3 GLU 95 3HG GLU 95 7.969 6.537 -3.866 722 H ILE 96 H ILE 96 3.145 5.742 -4.112 723 HA ILE 96 HA ILE 96 2.460 2.836 -4.408 724 HB ILE 96 HB ILE 96 0.834 5.031 -3.091 725 HG12 ILE 96 2HG1 ILE 96 1.917 2.441 -1.943 726 HG13 ILE 96 3HG1 ILE 96 2.745 3.989 -1.785 727 HG21 ILE 96 1HG2 ILE 96 -0.704 3.628 -4.252 728 HG22 ILE 96 2HG2 ILE 96 -0.694 3.028 -2.596 729 HG23 ILE 96 3HG2 ILE 96 0.204 2.171 -3.848 730 HD11 ILE 96 3HD1 ILE 96 -0.034 3.324 -0.771 731 HD12 ILE 96 1HD1 ILE 96 0.698 4.927 -0.704 732 HD13 ILE 96 2HD1 ILE 96 1.406 3.597 0.211 733 H ASP 97 H ASP 97 1.483 2.382 -6.306 734 HA ASP 97 HA ASP 97 0.249 4.631 -7.875 735 HB2 ASP 97 2HB ASP 97 1.993 2.352 -8.844 736 HB3 ASP 97 3HB ASP 97 1.067 3.403 -9.915 737 H LEU 98 H LEU 98 -1.726 4.182 -8.745 738 HA LEU 98 HA LEU 98 -2.885 1.470 -8.220 739 HB2 LEU 98 2HB LEU 98 -4.276 4.109 -8.778 740 HB3 LEU 98 3HB LEU 98 -5.069 2.589 -8.368 741 HG LEU 98 HG LEU 98 -3.116 4.089 -6.594 742 HD11 LEU 98 1HD1 LEU 98 -5.312 5.208 -6.808 743 HD12 LEU 98 2HD1 LEU 98 -5.103 4.525 -5.194 744 HD13 LEU 98 3HD1 LEU 98 -6.119 3.699 -6.376 745 HD21 LEU 98 3HD2 LEU 98 -2.866 1.842 -5.961 746 HD22 LEU 98 1HD2 LEU 98 -4.532 1.433 -6.367 747 HD23 LEU 98 2HD2 LEU 98 -4.176 2.359 -4.907 748 H ILE 99 H ILE 99 -3.211 0.189 -9.928 749 HA ILE 99 HA ILE 99 -3.581 1.434 -12.633 750 HB ILE 99 HB ILE 99 -1.982 -1.050 -11.948 751 HG12 ILE 99 2HG1 ILE 99 -1.090 1.565 -13.198 752 HG13 ILE 99 3HG1 ILE 99 -0.936 1.214 -11.477 753 HG21 ILE 99 1HG2 ILE 99 -2.730 0.262 -14.576 754 HG22 ILE 99 2HG2 ILE 99 -3.117 -1.377 -14.057 755 HG23 ILE 99 3HG2 ILE 99 -1.448 -0.941 -14.424 756 HD11 ILE 99 3HD1 ILE 99 1.155 0.696 -12.700 757 HD12 ILE 99 1HD1 ILE 99 0.268 -0.446 -13.711 758 HD13 ILE 99 2HD1 ILE 99 0.448 -0.753 -11.983 759 H GLU 100 H GLU 100 -5.413 0.809 -13.569 760 HA GLU 100 HA GLU 100 -7.077 -1.258 -12.319 761 HB2 GLU 100 2HB GLU 100 -7.509 0.549 -14.712 762 HB3 GLU 100 3HB GLU 100 -8.723 -0.567 -14.090 763 HG2 GLU 100 2HG GLU 100 -7.416 1.610 -12.435 764 HG3 GLU 100 3HG GLU 100 -8.979 1.783 -13.235 765 H GLN 101 H GLN 101 -7.518 -3.257 -13.158 766 HA GLN 101 HA GLN 101 -6.535 -3.959 -15.872 767 HB2 GLN 101 2HB GLN 101 -5.631 -5.294 -13.310 768 HB3 GLN 101 3HB GLN 101 -5.458 -6.042 -14.898 769 HG2 GLN 101 2HG GLN 101 -4.174 -4.051 -15.659 770 HG3 GLN 101 3HG GLN 101 -4.286 -3.389 -14.029 771 HE21 GLN 101 1HE2 GLN 101 -2.193 -3.623 -13.190 772 HE22 GLN 101 2HE2 GLN 101 -1.317 -5.076 -13.192 773 H GLY 102 H GLY 102 -6.916 -6.685 -15.708 774 HA2 GLY 102 2HA GLY 102 -9.757 -6.926 -15.968 775 HA3 GLY 102 3HA GLY 102 -8.616 -8.269 -15.931 776 H GLY 103 H GLY 103 -7.516 -7.853 -13.379 777 HA2 GLY 103 2HA GLY 103 -9.744 -8.865 -11.724 778 HA3 GLY 103 3HA GLY 103 -8.036 -8.896 -11.292 779 H GLY 104 H GLY 104 -10.965 -7.069 -11.194 780 HA2 GLY 104 2HA GLY 104 -11.481 -4.972 -10.230 781 HA3 GLY 104 3HA GLY 104 -10.560 -5.651 -8.894 782 H THR 105 H THR 105 -9.027 -4.299 -8.195 783 HA THR 105 HA THR 105 -7.580 -2.580 -10.190 784 HB THR 105 HB THR 105 -8.343 -1.916 -7.333 785 HG1 THR 105 HG1 THR 105 -10.016 -1.053 -8.230 786 HG21 THR 105 3HG2 THR 105 -6.738 -0.450 -9.436 787 HG22 THR 105 1HG2 THR 105 -6.213 -0.925 -7.822 788 HG23 THR 105 2HG2 THR 105 -7.419 0.347 -8.017 789 H LEU 106 H LEU 106 -5.440 -2.876 -10.220 790 HA LEU 106 HA LEU 106 -4.211 -4.665 -8.222 791 HB2 LEU 106 2HB LEU 106 -3.670 -5.077 -10.559 792 HB3 LEU 106 3HB LEU 106 -3.128 -3.413 -10.763 793 HG LEU 106 HG LEU 106 -1.282 -3.781 -9.194 794 HD11 LEU 106 1HD1 LEU 106 -2.060 -5.298 -7.580 795 HD12 LEU 106 2HD1 LEU 106 -0.943 -6.294 -8.508 796 HD13 LEU 106 3HD1 LEU 106 -2.680 -6.423 -8.788 797 HD21 LEU 106 3HD2 LEU 106 -1.597 -5.860 -11.371 798 HD22 LEU 106 1HD2 LEU 106 -0.094 -5.646 -10.470 799 HD23 LEU 106 2HD2 LEU 106 -0.727 -4.326 -11.452 800 H LEU 107 H LEU 107 -2.926 -3.964 -6.606 801 HA LEU 107 HA LEU 107 -2.299 -1.038 -6.486 802 HB2 LEU 107 2HB LEU 107 -3.738 -2.155 -4.696 803 HB3 LEU 107 3HB LEU 107 -2.291 -3.027 -4.202 804 HG LEU 107 HG LEU 107 -2.370 -0.006 -4.430 805 HD11 LEU 107 1HD1 LEU 107 -2.938 -1.706 -1.991 806 HD12 LEU 107 2HD1 LEU 107 -4.093 -0.679 -2.839 807 HD13 LEU 107 3HD1 LEU 107 -2.729 0.044 -1.990 808 HD21 LEU 107 3HD2 LEU 107 -0.447 -2.033 -3.295 809 HD22 LEU 107 1HD2 LEU 107 -0.521 -0.422 -2.582 810 HD23 LEU 107 2HD2 LEU 107 -0.116 -0.610 -4.284 811 H ARG 108 H ARG 108 -0.228 -0.526 -6.839 812 HA ARG 108 HA ARG 108 1.898 -2.602 -6.428 813 HB2 ARG 108 2HB ARG 108 1.627 -1.758 -8.753 814 HB3 ARG 108 3HB ARG 108 1.948 -0.124 -8.174 815 HG2 ARG 108 2HG ARG 108 4.170 -0.827 -7.382 816 HG3 ARG 108 3HG ARG 108 3.849 -2.474 -7.920 817 HD2 ARG 108 2HD ARG 108 3.527 -1.562 -10.249 818 HD3 ARG 108 3HD ARG 108 4.084 0.000 -9.650 819 HE ARG 108 HE ARG 108 5.938 -2.155 -9.033 820 HH11 ARG 108 1HH2 ARG 108 4.872 0.121 -11.404 821 HH12 ARG 108 2HH2 ARG 108 6.383 0.136 -12.249 822 HH21 ARG 108 1HH1 ARG 108 7.901 -2.143 -10.129 823 HH22 ARG 108 2HH1 ARG 108 8.093 -1.143 -11.529 824 H LEU 109 H LEU 109 3.361 -2.219 -4.882 825 HA LEU 109 HA LEU 109 3.659 0.573 -3.822 826 HB2 LEU 109 2HB LEU 109 2.409 -1.046 -2.303 827 HB3 LEU 109 3HB LEU 109 3.907 -1.967 -2.190 828 HG LEU 109 HG LEU 109 3.744 0.990 -1.555 829 HD11 LEU 109 1HD1 LEU 109 3.329 -1.392 0.248 830 HD12 LEU 109 2HD1 LEU 109 2.271 -0.001 0.011 831 HD13 LEU 109 3HD1 LEU 109 3.804 0.193 0.857 832 HD21 LEU 109 3HD2 LEU 109 5.865 -1.125 -1.358 833 HD22 LEU 109 1HD2 LEU 109 5.806 0.087 -0.076 834 HD23 LEU 109 2HD2 LEU 109 6.012 0.587 -1.750 835 H THR 110 H THR 110 5.679 1.277 -4.171 836 HA THR 110 HA THR 110 7.922 -0.718 -4.299 837 HB THR 110 HB THR 110 7.647 1.929 -5.750 838 HG1 THR 110 HG1 THR 110 7.319 -0.773 -6.441 839 HG21 THR 110 3HG2 THR 110 9.734 1.083 -6.906 840 HG22 THR 110 1HG2 THR 110 9.831 -0.163 -5.661 841 HG23 THR 110 2HG2 THR 110 9.961 1.539 -5.218 842 H HIS 111 H HIS 111 9.407 -0.473 -2.763 843 HA HIS 111 HA HIS 111 9.633 2.160 -1.336 844 HB2 HIS 111 2HB HIS 111 8.677 0.181 -0.024 845 HB3 HIS 111 3HB HIS 111 10.274 -0.556 -0.169 846 HD1 HIS 111 HD1 HIS 111 11.943 2.084 0.143 847 HD2 HIS 111 HD2 HIS 111 8.847 0.923 2.680 848 HE1 HIS 111 HE1 HIS 111 12.325 3.291 2.337 849 H SER 112 H SER 112 11.594 3.084 -1.534 850 HA SER 112 HA SER 112 13.982 1.352 -2.047 851 HB2 SER 112 2HB SER 112 13.286 2.263 -4.213 852 HB3 SER 112 3HB SER 112 13.251 3.890 -3.537 853 HG SER 112 HG SER 112 15.372 2.339 -4.347 854 H GLY 113 H GLY 113 15.888 2.137 -1.190 855 HA2 GLY 113 2HA GLY 113 17.260 3.871 -0.157 856 HA3 GLY 113 3HA GLY 113 15.789 4.663 0.407 857 H LEU 114 H LEU 114 16.960 1.294 0.591 858 HA LEU 114 HA LEU 114 16.454 1.358 3.545 859 HB2 LEU 114 2HB LEU 114 16.462 -1.055 1.733 860 HB3 LEU 114 3HB LEU 114 16.009 -1.001 3.437 861 HG LEU 114 HG LEU 114 14.604 0.587 1.270 862 HD11 LEU 114 1HD1 LEU 114 13.797 -2.008 2.613 863 HD12 LEU 114 2HD1 LEU 114 14.279 -1.826 0.926 864 HD13 LEU 114 3HD1 LEU 114 12.792 -1.076 1.505 865 HD21 LEU 114 3HD2 LEU 114 14.210 1.664 3.352 866 HD22 LEU 114 1HD2 LEU 114 14.134 0.133 4.225 867 HD23 LEU 114 2HD2 LEU 114 12.817 0.608 3.155 868 HA PRO 115 HA PRO 115 21.007 0.803 3.053 869 HB2 PRO 115 2HB PRO 115 21.714 2.255 5.287 870 HB3 PRO 115 3HB PRO 115 21.420 2.985 3.697 871 HG2 PRO 115 2HG PRO 115 19.686 2.941 6.104 872 HG3 PRO 115 3HG PRO 115 19.827 4.167 4.835 873 HD2 PRO 115 2HD PRO 115 17.777 2.282 5.040 874 HD3 PRO 115 3HD PRO 115 18.172 3.196 3.570 875 H SER 116 H SER 116 18.734 -0.209 5.344 876 HA SER 116 HA SER 116 20.785 -1.934 6.710 877 HB2 SER 116 2HB SER 116 19.184 -1.910 8.665 878 HB3 SER 116 3HB SER 116 19.964 -0.367 8.329 879 HG SER 116 HG SER 116 17.888 0.185 8.451 880 H ALA 117 H ALA 117 20.452 -4.041 6.611 881 HA ALA 117 HA ALA 117 18.417 -5.197 4.940 882 HB1 ALA 117 3HB ALA 117 20.139 -6.581 7.010 883 HB2 ALA 117 1HB ALA 117 20.705 -6.162 5.394 884 HB3 ALA 117 2HB ALA 117 19.389 -7.320 5.597 885 H GLU 118 H GLU 118 18.773 -4.828 8.441 886 HA GLU 118 HA GLU 118 16.673 -6.553 9.267 887 HB2 GLU 118 2HB GLU 118 18.420 -5.213 10.678 888 HB3 GLU 118 3HB GLU 118 17.220 -3.924 10.645 889 HG2 GLU 118 2HG GLU 118 16.677 -6.752 11.600 890 HG3 GLU 118 3HG GLU 118 17.006 -5.380 12.659 891 H GLN 119 H GLN 119 16.614 -3.157 8.269 892 HA GLN 119 HA GLN 119 13.815 -2.732 8.781 893 HB2 GLN 119 2HB GLN 119 15.767 -1.381 6.903 894 HB3 GLN 119 3HB GLN 119 14.112 -0.819 7.141 895 HG2 GLN 119 2HG GLN 119 14.543 -0.539 9.548 896 HG3 GLN 119 3HG GLN 119 16.191 -1.124 9.327 897 HE21 GLN 119 1HE2 GLN 119 16.389 1.266 10.353 898 HE22 GLN 119 2HE2 GLN 119 16.610 2.503 9.215 899 H CYS 120 H CYS 120 15.618 -3.979 6.017 900 HA CYS 120 HA CYS 120 13.428 -3.972 4.150 901 HB2 CYS 120 2HB CYS 120 15.898 -5.720 4.301 902 HB3 CYS 120 3HB CYS 120 14.807 -5.656 2.917 903 HG CYS 120 HG CYS 120 15.483 -3.143 2.583 904 H ALA 121 H ALA 121 14.708 -6.482 6.335 905 HA ALA 121 HA ALA 121 12.776 -8.490 5.576 906 HB1 ALA 121 3HB ALA 121 13.448 -9.522 7.807 907 HB2 ALA 121 1HB ALA 121 14.486 -8.118 8.045 908 HB3 ALA 121 2HB ALA 121 14.783 -9.211 6.694 909 H GLY 122 H GLY 122 12.901 -6.085 8.178 910 HA2 GLY 122 2HA GLY 122 10.432 -6.894 9.436 911 HA3 GLY 122 3HA GLY 122 11.239 -5.342 9.661 912 H HIS 123 H HIS 123 11.242 -4.429 7.013 913 HA HIS 123 HA HIS 123 8.576 -3.360 6.785 914 HB2 HIS 123 2HB HIS 123 10.959 -3.353 4.924 915 HB3 HIS 123 3HB HIS 123 9.451 -2.522 4.541 916 HD1 HIS 123 HD1 HIS 123 11.453 -0.495 4.712 917 HD2 HIS 123 HD2 HIS 123 9.908 -2.088 8.241 918 HE1 HIS 123 HE1 HIS 123 11.950 1.189 6.537 919 H GLU 124 H GLU 124 10.362 -5.833 4.968 920 HA GLU 124 HA GLU 124 8.438 -6.386 2.969 921 HB2 GLU 124 2HB GLU 124 10.736 -7.367 3.048 922 HB3 GLU 124 3HB GLU 124 10.222 -8.381 4.396 923 HG2 GLU 124 2HG GLU 124 8.522 -9.444 2.994 924 HG3 GLU 124 3HG GLU 124 8.952 -8.393 1.644 925 H GLU 125 H GLU 125 8.770 -7.761 6.227 926 HA GLU 125 HA GLU 125 6.436 -9.458 6.014 927 HB2 GLU 125 2HB GLU 125 7.992 -8.410 8.393 928 HB3 GLU 125 3HB GLU 125 6.680 -9.583 8.527 929 HG2 GLU 125 2HG GLU 125 7.894 -11.138 7.072 930 HG3 GLU 125 3HG GLU 125 9.185 -9.957 6.857 931 H GLY 126 H GLY 126 7.025 -6.201 7.267 932 HA2 GLY 126 2HA GLY 126 4.434 -5.810 8.442 933 HA3 GLY 126 3HA GLY 126 5.536 -4.525 7.954 934 H TRP 127 H TRP 127 5.730 -4.879 5.255 935 HA TRP 127 HA TRP 127 3.293 -3.727 4.295 936 HB2 TRP 127 2HB TRP 127 5.680 -4.913 2.874 937 HB3 TRP 127 3HB TRP 127 4.337 -4.169 2.008 938 HD1 TRP 127 HD1 TRP 127 7.592 -3.312 3.331 939 HE1 TRP 127 HE1 TRP 127 7.834 -0.776 3.718 940 HE3 TRP 127 HE3 TRP 127 2.690 -1.895 3.015 941 HZ2 TRP 127 HZ2 TRP 127 6.172 1.543 3.874 942 HZ3 TRP 127 HZ3 TRP 127 2.052 0.480 3.290 943 HH2 TRP 127 HH2 TRP 127 3.785 2.199 3.717 944 H ALA 128 H ALA 128 4.618 -7.003 4.088 945 HA ALA 128 HA ALA 128 2.628 -8.105 2.361 946 HB1 ALA 128 3HB ALA 128 4.724 -9.281 2.910 947 HB2 ALA 128 1HB ALA 128 3.328 -10.286 3.299 948 HB3 ALA 128 2HB ALA 128 4.193 -9.442 4.584 949 H HIS 129 H HIS 129 2.817 -8.093 5.927 950 HA HIS 129 HA HIS 129 0.217 -9.309 6.281 951 HB2 HIS 129 2HB HIS 129 2.029 -7.731 8.112 952 HB3 HIS 129 3HB HIS 129 0.476 -8.368 8.645 953 HD1 HIS 129 HD1 HIS 129 3.912 -9.451 7.567 954 HD2 HIS 129 HD2 HIS 129 0.386 -11.190 8.956 955 HE1 HIS 129 HE1 HIS 129 4.467 -11.862 8.117 956 H TYR 130 H TYR 130 1.386 -5.960 6.286 957 HA TYR 130 HA TYR 130 -1.072 -4.703 7.023 958 HB2 TYR 130 2HB TYR 130 1.052 -3.479 6.991 959 HB3 TYR 130 3HB TYR 130 1.173 -3.711 5.250 960 HD1 TYR 130 HD2 TYR 130 -0.696 -2.003 7.940 961 HD2 TYR 130 HD1 TYR 130 -0.138 -2.407 3.702 962 HE1 TYR 130 HE2 TYR 130 -2.056 0.035 7.565 963 HE2 TYR 130 HE1 TYR 130 -1.499 -0.370 3.325 964 HH TYR 130 HH TYR 130 -2.367 1.479 4.371 965 H LEU 131 H LEU 131 0.312 -5.362 3.813 966 HA LEU 131 HA LEU 131 -1.951 -4.389 2.329 967 HB2 LEU 131 2HB LEU 131 0.252 -6.344 1.626 968 HB3 LEU 131 3HB LEU 131 -0.941 -5.775 0.459 969 HG LEU 131 HG LEU 131 0.820 -3.917 2.084 970 HD11 LEU 131 1HD1 LEU 131 2.192 -3.688 0.039 971 HD12 LEU 131 2HD1 LEU 131 1.230 -4.942 -0.741 972 HD13 LEU 131 3HD1 LEU 131 2.228 -5.339 0.657 973 HD21 LEU 131 3HD2 LEU 131 -0.944 -2.597 1.289 974 HD22 LEU 131 1HD2 LEU 131 -1.163 -3.570 -0.165 975 HD23 LEU 131 2HD2 LEU 131 0.197 -2.454 -0.043 976 H GLY 132 H GLY 132 -1.069 -7.551 3.604 977 HA2 GLY 132 2HA GLY 132 -3.031 -9.133 2.319 978 HA3 GLY 132 3HA GLY 132 -2.350 -9.485 3.904 979 H ARG 133 H ARG 133 -3.255 -7.331 5.387 980 HA ARG 133 HA ARG 133 -5.963 -8.109 5.960 981 HB2 ARG 133 2HB ARG 133 -4.322 -5.713 6.804 982 HB3 ARG 133 3HB ARG 133 -5.933 -6.053 7.433 983 HG2 ARG 133 2HG ARG 133 -5.131 -8.273 8.213 984 HG3 ARG 133 3HG ARG 133 -3.511 -7.865 7.644 985 HD2 ARG 133 2HD ARG 133 -3.472 -5.913 9.166 986 HD3 ARG 133 3HD ARG 133 -5.083 -6.338 9.739 987 HE ARG 133 HE ARG 133 -4.151 -8.185 10.932 988 HH11 ARG 133 1HH2 ARG 133 -1.839 -6.533 8.963 989 HH12 ARG 133 2HH2 ARG 133 -0.477 -7.290 9.714 990 HH21 ARG 133 1HH1 ARG 133 -2.381 -9.184 11.899 991 HH22 ARG 133 2HH1 ARG 133 -0.780 -8.793 11.364 992 H LEU 134 H LEU 134 -4.573 -5.318 4.269 993 HA LEU 134 HA LEU 134 -7.034 -3.927 3.849 994 HB2 LEU 134 2HB LEU 134 -4.848 -2.847 3.530 995 HB3 LEU 134 3HB LEU 134 -4.495 -3.930 2.188 996 HG LEU 134 HG LEU 134 -6.364 -2.998 0.902 997 HD11 LEU 134 1HD1 LEU 134 -8.023 -2.389 2.434 998 HD12 LEU 134 2HD1 LEU 134 -7.386 -0.816 1.959 999 HD13 LEU 134 3HD1 LEU 134 -6.890 -1.544 3.488 1000 HD21 LEU 134 3HD2 LEU 134 -4.090 -1.888 0.903 1001 HD22 LEU 134 1HD2 LEU 134 -4.724 -0.734 2.075 1002 HD23 LEU 134 2HD2 LEU 134 -5.422 -0.821 0.459 1003 H THR 135 H THR 135 -5.312 -6.326 1.882 1004 HA THR 135 HA THR 135 -7.056 -6.260 -0.377 1005 HB THR 135 HB THR 135 -5.610 -8.697 0.680 1006 HG1 THR 135 HG1 THR 135 -3.821 -7.926 -0.403 1007 HG21 THR 135 3HG2 THR 135 -5.446 -9.245 -1.735 1008 HG22 THR 135 1HG2 THR 135 -6.390 -7.800 -2.109 1009 HG23 THR 135 2HG2 THR 135 -7.120 -9.120 -1.193 1010 H GLU 136 H GLU 136 -7.098 -8.316 2.528 1011 HA GLU 136 HA GLU 136 -9.444 -9.808 1.792 1012 HB2 GLU 136 2HB GLU 136 -7.798 -10.482 3.563 1013 HB3 GLU 136 3HB GLU 136 -8.424 -9.181 4.575 1014 HG2 GLU 136 2HG GLU 136 -10.654 -10.181 4.543 1015 HG3 GLU 136 3HG GLU 136 -10.091 -11.454 3.462 1016 H VAL 137 H VAL 137 -8.992 -6.947 3.862 1017 HA VAL 137 HA VAL 137 -11.778 -6.637 4.524 1018 HB VAL 137 HB VAL 137 -9.482 -4.660 4.489 1019 HG11 VAL 137 1HG1 VAL 137 -11.043 -3.373 6.065 1020 HG12 VAL 137 2HG1 VAL 137 -12.339 -4.397 5.446 1021 HG13 VAL 137 3HG1 VAL 137 -11.457 -3.330 4.352 1022 HG21 VAL 137 3HG2 VAL 137 -10.869 -5.936 6.855 1023 HG22 VAL 137 1HG2 VAL 137 -9.322 -5.091 6.829 1024 HG23 VAL 137 2HG2 VAL 137 -9.472 -6.679 6.074 1025 H ALA 138 H ALA 138 -9.727 -5.202 2.000 1026 HA ALA 138 HA ALA 138 -11.857 -3.568 0.896 1027 HB1 ALA 138 3HB ALA 138 -9.410 -3.105 0.581 1028 HB2 ALA 138 1HB ALA 138 -10.308 -3.157 -0.937 1029 HB3 ALA 138 2HB ALA 138 -9.320 -4.533 -0.448 1030 H ALA 139 H ALA 139 -10.753 -6.840 0.443 1031 HA ALA 139 HA ALA 139 -12.500 -7.213 -1.940 1032 HB1 ALA 139 3HB ALA 139 -10.683 -9.225 -0.588 1033 HB2 ALA 139 1HB ALA 139 -10.132 -8.127 -1.854 1034 HB3 ALA 139 2HB ALA 139 -11.373 -9.332 -2.207 1035 H GLY 140 H GLY 140 -12.706 -7.381 1.404 1036 HA2 GLY 140 2HA GLY 140 -15.228 -8.868 1.243 1037 HA3 GLY 140 3HA GLY 140 -13.962 -9.689 2.159 1038 H ARG 141 H ARG 141 -15.107 -9.474 4.114 1039 HA ARG 141 HA ARG 141 -14.828 -6.832 5.423 1040 HB2 ARG 141 2HB ARG 141 -17.439 -8.339 5.128 1041 HB3 ARG 141 3HB ARG 141 -17.183 -7.135 6.390 1042 HG2 ARG 141 2HG ARG 141 -16.665 -5.440 4.676 1043 HG3 ARG 141 3HG ARG 141 -16.902 -6.642 3.409 1044 HD2 ARG 141 2HD ARG 141 -18.934 -5.334 3.615 1045 HD3 ARG 141 3HD ARG 141 -19.253 -6.958 4.226 1046 HE ARG 141 HE ARG 141 -18.414 -5.291 6.395 1047 HH11 ARG 141 1HH2 ARG 141 -21.022 -5.812 4.195 1048 HH12 ARG 141 2HH2 ARG 141 -22.229 -5.218 5.286 1049 HH21 ARG 141 1HH1 ARG 141 -19.973 -4.516 7.819 1050 HH22 ARG 141 2HH1 ARG 141 -21.636 -4.485 7.336 1051 H ASP 142 H ASP 142 -13.897 -9.820 5.468 1052 HA ASP 142 HA ASP 142 -14.336 -10.262 8.412 1053 HB2 ASP 142 2HB ASP 142 -13.669 -12.371 6.344 1054 HB3 ASP 142 3HB ASP 142 -14.134 -12.628 8.027 1055 HA PRO 143 HA PRO 143 -9.844 -9.181 7.895 1056 HB2 PRO 143 2HB PRO 143 -10.194 -8.850 10.849 1057 HB3 PRO 143 3HB PRO 143 -9.430 -7.757 9.676 1058 HG2 PRO 143 2HG PRO 143 -11.840 -7.232 10.705 1059 HG3 PRO 143 3HG PRO 143 -11.441 -6.835 9.023 1060 HD2 PRO 143 2HD PRO 143 -13.121 -9.082 10.078 1061 HD3 PRO 143 3HD PRO 143 -13.307 -8.144 8.582 1062 H GLY 144 H GLY 144 -8.046 -10.459 8.357 1063 HA2 GLY 144 2HA GLY 144 -8.496 -13.197 9.088 1064 HA3 GLY 144 3HA GLY 144 -6.916 -12.447 8.877 1065 HA PRO 145 HA PRO 145 -6.197 -12.653 13.201 1066 HB2 PRO 145 2HB PRO 145 -4.969 -10.235 13.744 1067 HB3 PRO 145 3HB PRO 145 -4.169 -11.586 12.913 1068 HG2 PRO 145 2HG PRO 145 -5.472 -9.159 11.746 1069 HG3 PRO 145 3HG PRO 145 -3.930 -9.923 11.314 1070 HD2 PRO 145 2HD PRO 145 -6.153 -10.330 9.833 1071 HD3 PRO 145 3HD PRO 145 -4.967 -11.630 10.092 1072 H ASP 146 H ASP 146 -7.085 -12.082 15.194 1073 HA ASP 146 HA ASP 146 -8.665 -9.644 15.510 1074 HB2 ASP 146 2HB ASP 146 -10.752 -10.967 16.109 1075 HB3 ASP 146 3HB ASP 146 -10.360 -10.917 14.392 1076 HA PRO 147 HA PRO 147 -6.789 -11.717 19.304 1077 HB2 PRO 147 2HB PRO 147 -5.003 -9.734 19.941 1078 HB3 PRO 147 3HB PRO 147 -4.615 -11.058 18.824 1079 HG2 PRO 147 2HG PRO 147 -5.411 -8.244 18.218 1080 HG3 PRO 147 3HG PRO 147 -4.200 -9.267 17.425 1081 HD2 PRO 147 2HD PRO 147 -6.707 -8.831 16.388 1082 HD3 PRO 147 3HD PRO 147 -5.772 -10.309 16.075 1083 H PHE 148 H PHE 148 -6.301 -8.309 19.824 1084 HA PHE 148 HA PHE 148 -8.856 -8.073 21.351 1085 HB2 PHE 148 2HB PHE 148 -6.088 -7.403 22.408 1086 HB3 PHE 148 3HB PHE 148 -7.604 -7.043 23.236 1087 HD1 PHE 148 HD1 PHE 148 -9.041 -8.867 24.093 1088 HD2 PHE 148 HD2 PHE 148 -5.213 -9.662 22.310 1089 HE1 PHE 148 HE1 PHE 148 -9.071 -11.157 25.048 1090 HE2 PHE 148 HE2 PHE 148 -5.244 -11.951 23.265 1091 HZ PHE 148 HZ PHE 148 -7.173 -12.699 24.634 1092 H TYR 149 H TYR 149 -6.982 -6.940 18.958 1093 HA TYR 149 HA TYR 149 -6.605 -4.842 17.964 1094 HB2 TYR 149 2HB TYR 149 -9.453 -4.574 18.966 1095 HB3 TYR 149 3HB TYR 149 -8.704 -3.493 17.791 1096 HD1 TYR 149 HD1 TYR 149 -7.964 -4.367 15.572 1097 HD2 TYR 149 HD2 TYR 149 -10.157 -6.797 18.351 1098 HE1 TYR 149 HE1 TYR 149 -8.498 -5.964 13.750 1099 HE2 TYR 149 HE2 TYR 149 -10.691 -8.394 16.529 1100 HH TYR 149 HH TYR 149 -10.561 -7.754 13.422 1101 H GLY 150 H GLY 150 -5.035 -3.831 19.151 1102 HA2 GLY 150 2HA GLY 150 -4.267 -1.895 20.277 1103 HA3 GLY 150 3HA GLY 150 -5.912 -1.578 20.822 1104 H ARG 151 H ARG 151 -3.788 -1.321 22.562 1105 HA ARG 151 HA ARG 151 -3.512 -3.757 24.171 1106 HB2 ARG 151 2HB ARG 151 -2.155 -2.327 25.652 1107 HB3 ARG 151 3HB ARG 151 -1.648 -2.136 23.975 1108 HG2 ARG 151 2HG ARG 151 -3.009 -0.075 23.797 1109 HG3 ARG 151 3HG ARG 151 -3.496 -0.253 25.485 1110 HD2 ARG 151 2HD ARG 151 -1.128 -0.119 26.181 1111 HD3 ARG 151 3HD ARG 151 -0.649 0.071 24.496 1112 HE ARG 151 HE ARG 151 -1.479 2.306 24.540 1113 HH11 ARG 151 1HH2 ARG 151 -2.246 0.530 27.404 1114 HH12 ARG 151 2HH2 ARG 151 -2.755 1.930 28.284 1115 HH21 ARG 151 1HH1 ARG 151 -2.136 4.129 25.681 1116 HH22 ARG 151 2HH1 ARG 151 -2.695 3.963 27.311 1117 H ARG 152 H ARG 152 -5.700 -1.149 23.925 1118 HA ARG 152 HA ARG 152 -6.606 -1.393 26.731 1119 HB2 ARG 152 2HB ARG 152 -6.453 0.833 25.558 1120 HB3 ARG 152 3HB ARG 152 -7.762 0.300 24.505 1121 HG2 ARG 152 2HG ARG 152 -8.946 1.450 26.167 1122 HG3 ARG 152 3HG ARG 152 -9.017 -0.202 26.776 1123 HD2 ARG 152 2HD ARG 152 -7.092 0.242 28.247 1124 HD3 ARG 152 3HD ARG 152 -6.964 1.875 27.600 1125 HE ARG 152 HE ARG 152 -8.810 2.498 28.938 1126 HH11 ARG 152 1HH2 ARG 152 -8.435 -0.937 28.750 1127 HH12 ARG 152 2HH2 ARG 152 -9.604 -1.253 29.990 1128 HH21 ARG 152 1HH1 ARG 152 -10.313 2.092 30.546 1129 HH22 ARG 152 2HH1 ARG 152 -10.665 0.460 31.005 1130 H LEU 153 H LEU 153 -8.325 -2.572 27.332 1131 HA LEU 153 HA LEU 153 -9.535 -4.480 25.568 1132 HB2 LEU 153 2HB LEU 153 -10.117 -3.509 28.362 1133 HB3 LEU 153 3HB LEU 153 -11.208 -4.648 27.571 1134 HG LEU 153 HG LEU 153 -9.323 -6.196 27.197 1135 HD11 LEU 153 1HD1 LEU 153 -7.177 -5.639 28.487 1136 HD12 LEU 153 2HD1 LEU 153 -7.775 -3.982 28.557 1137 HD13 LEU 153 3HD1 LEU 153 -7.451 -4.739 26.998 1138 HD21 LEU 153 3HD2 LEU 153 -8.927 -6.790 29.579 1139 HD22 LEU 153 1HD2 LEU 153 -10.623 -6.418 29.270 1140 HD23 LEU 153 2HD2 LEU 153 -9.589 -5.229 30.065 1141 H GLU 154 H GLU 154 -10.631 -1.362 26.823 1142 HA GLU 154 HA GLU 154 -12.384 0.031 26.178 1143 HB2 GLU 154 2HB GLU 154 -12.035 -1.511 23.590 1144 HB3 GLU 154 3HB GLU 154 -13.077 -0.104 23.762 1145 HG2 GLU 154 2HG GLU 154 -10.129 -0.096 24.449 1146 HG3 GLU 154 3HG GLU 154 -10.769 0.418 22.888 1147 H HIS 155 H HIS 155 -14.453 -0.042 26.788 1148 HA HIS 155 HA HIS 155 -16.090 -2.466 26.158 1149 HB2 HIS 155 2HB HIS 155 -15.844 -1.111 28.857 1150 HB3 HIS 155 3HB HIS 155 -17.026 -2.359 28.464 1151 HD1 HIS 155 HD1 HIS 155 -13.466 -1.862 29.366 1152 HD2 HIS 155 HD2 HIS 155 -15.841 -4.956 27.895 1153 HE1 HIS 155 HE1 HIS 155 -12.117 -3.989 29.632 1154 H HIS 156 H HIS 156 -18.390 -2.066 26.285 1155 HA HIS 156 HA HIS 156 -20.211 -0.824 25.476 1156 HB2 HIS 156 2HB HIS 156 -20.131 -0.346 27.938 1157 HB3 HIS 156 3HB HIS 156 -19.241 1.133 27.576 1158 HD1 HIS 156 HD1 HIS 156 -20.856 3.026 27.757 1159 HD2 HIS 156 HD2 HIS 156 -22.574 -0.273 25.872 1160 HE1 HIS 156 HE1 HIS 156 -23.183 3.734 27.051 1161 H HIS 157 H HIS 157 -19.606 -0.261 23.387 1162 HA HIS 157 HA HIS 157 -17.900 2.051 22.855 1163 HB2 HIS 157 2HB HIS 157 -17.975 0.105 21.323 1164 HB3 HIS 157 3HB HIS 157 -19.673 0.445 20.985 1165 HD1 HIS 157 HD1 HIS 157 -19.857 1.583 18.778 1166 HD2 HIS 157 HD2 HIS 157 -16.488 2.853 20.881 1167 HE1 HIS 157 HE1 HIS 157 -18.754 3.367 17.357 1168 H HIS 158 H HIS 158 -20.632 2.153 24.310 1169 HA HIS 158 HA HIS 158 -22.431 3.640 24.455 1170 HB2 HIS 158 2HB HIS 158 -20.490 5.306 22.823 1171 HB3 HIS 158 3HB HIS 158 -21.988 5.933 23.502 1172 HD1 HIS 158 HD1 HIS 158 -18.621 4.567 24.534 1173 HD2 HIS 158 HD2 HIS 158 -21.937 6.385 26.293 1174 HE1 HIS 158 HE1 HIS 158 -17.939 5.170 26.898 1175 H HIS 159 H HIS 159 -21.845 1.912 21.878 1176 HA HIS 159 HA HIS 159 -22.963 1.445 19.868 1177 HB2 HIS 159 2HB HIS 159 -24.832 1.171 21.468 1178 HB3 HIS 159 3HB HIS 159 -25.209 2.886 21.314 1179 HD1 HIS 159 HD1 HIS 159 -24.852 -0.157 19.027 1180 HD2 HIS 159 HD2 HIS 159 -27.010 3.403 19.281 1181 HE1 HIS 159 HE1 HIS 159 -26.492 -0.172 17.096 1182 H HIS 160 H HIS 160 -25.237 3.920 19.814 1183 HA HIS 160 HA HIS 160 -25.528 5.621 18.211 1184 HB2 HIS 160 2HB HIS 160 -22.865 6.298 19.478 1185 HB3 HIS 160 3HB HIS 160 -23.702 7.384 18.369 1186 HD1 HIS 160 HD1 HIS 160 -26.435 7.646 19.148 1187 HD2 HIS 160 HD2 HIS 160 -23.579 6.856 22.076 1188 HE1 HIS 160 HE1 HIS 160 -27.461 8.341 21.356 Start of MODEL 12 1 H1 MET 1 1H MET 1 33.726 -5.786 3.539 2 H2 MET 1 2H MET 1 33.200 -6.163 1.970 3 H3 MET 1 3H MET 1 32.094 -6.153 3.258 4 HA MET 1 HA MET 1 31.970 -3.886 3.348 5 HB2 MET 1 2HB MET 1 34.450 -3.647 3.634 6 HB3 MET 1 3HB MET 1 34.629 -3.791 1.887 7 HG2 MET 1 2HG MET 1 34.633 -1.431 2.487 8 HG3 MET 1 3HG MET 1 33.148 -1.792 1.611 9 HE1 MET 1 3HE MET 1 33.750 -0.659 5.977 10 HE2 MET 1 1HE MET 1 34.592 -0.016 4.560 11 HE3 MET 1 2HE MET 1 34.825 -1.695 5.040 12 H GLU 2 H GLU 2 33.809 -4.466 0.360 13 HA GLU 2 HA GLU 2 31.765 -3.223 -1.277 14 HB2 GLU 2 2HB GLU 2 34.244 -4.817 -1.965 15 HB3 GLU 2 3HB GLU 2 33.211 -4.057 -3.176 16 HG2 GLU 2 2HG GLU 2 33.597 -1.860 -2.172 17 HG3 GLU 2 3HG GLU 2 34.560 -2.590 -0.889 18 H LYS 3 H LYS 3 30.658 -4.278 -3.046 19 HA LYS 3 HA LYS 3 29.221 -5.886 -3.907 20 HB2 LYS 3 2HB LYS 3 31.346 -7.065 -4.365 21 HB3 LYS 3 3HB LYS 3 31.251 -7.839 -2.787 22 HG2 LYS 3 2HG LYS 3 29.129 -8.903 -3.408 23 HG3 LYS 3 3HG LYS 3 29.165 -8.089 -4.973 24 HD2 LYS 3 2HD LYS 3 31.279 -9.246 -5.525 25 HD3 LYS 3 3HD LYS 3 31.228 -10.071 -3.966 26 HE2 LYS 3 2HE LYS 3 29.092 -11.129 -4.581 27 HE3 LYS 3 3HE LYS 3 29.113 -10.289 -6.132 28 HZ1 LYS 3 3HZ LYS 3 31.030 -11.470 -6.796 29 HZ2 LYS 3 1HZ LYS 3 29.964 -12.627 -6.164 30 HZ3 LYS 3 2HZ LYS 3 31.288 -12.098 -5.239 31 H ALA 4 H ALA 4 27.342 -6.688 -3.225 32 HA ALA 4 HA ALA 4 25.673 -7.501 -1.816 33 HB1 ALA 4 3HB ALA 4 27.784 -8.472 0.104 34 HB2 ALA 4 1HB ALA 4 27.502 -9.296 -1.430 35 HB3 ALA 4 2HB ALA 4 26.203 -9.164 -0.247 36 H MET 5 H MET 5 24.782 -7.215 0.419 37 HA MET 5 HA MET 5 24.238 -5.846 2.215 38 HB2 MET 5 2HB MET 5 26.730 -6.367 2.732 39 HB3 MET 5 3HB MET 5 27.048 -4.736 2.145 40 HG2 MET 5 2HG MET 5 26.731 -4.398 4.444 41 HG3 MET 5 3HG MET 5 25.138 -4.035 3.781 42 HE1 MET 5 3HE MET 5 25.501 -4.369 6.534 43 HE2 MET 5 1HE MET 5 26.616 -5.717 6.797 44 HE3 MET 5 2HE MET 5 24.937 -5.844 7.315 45 HA PRO 6 HA PRO 6 24.306 -2.279 -0.918 46 HB2 PRO 6 2HB PRO 6 21.707 -2.499 -1.788 47 HB3 PRO 6 3HB PRO 6 23.070 -3.332 -2.566 48 HG2 PRO 6 2HG PRO 6 21.090 -4.393 -0.591 49 HG3 PRO 6 3HG PRO 6 21.725 -5.150 -2.063 50 HD2 PRO 6 2HD PRO 6 22.671 -5.796 0.405 51 HD3 PRO 6 3HD PRO 6 23.714 -5.800 -1.035 52 H GLU 7 H GLU 7 23.595 -0.247 -0.328 53 HA GLU 7 HA GLU 7 21.897 -0.060 2.128 54 HB2 GLU 7 2HB GLU 7 23.900 1.831 0.875 55 HB3 GLU 7 3HB GLU 7 22.880 2.269 2.246 56 HG2 GLU 7 2HG GLU 7 23.818 0.428 3.562 57 HG3 GLU 7 3HG GLU 7 24.792 -0.086 2.185 58 H SER 8 H SER 8 21.854 0.491 -1.239 59 HA SER 8 HA SER 8 19.583 2.440 -1.002 60 HB2 SER 8 2HB SER 8 21.437 1.761 -3.299 61 HB3 SER 8 3HB SER 8 20.014 2.784 -3.474 62 HG SER 8 HG SER 8 21.471 3.539 -1.337 63 H PHE 9 H PHE 9 19.416 -0.460 -0.509 64 HA PHE 9 HA PHE 9 18.287 -1.826 -2.763 65 HB2 PHE 9 2HB PHE 9 19.136 -2.856 -0.591 66 HB3 PHE 9 3HB PHE 9 17.622 -2.333 0.143 67 HD1 PHE 9 HD1 PHE 9 15.450 -3.240 -0.667 68 HD2 PHE 9 HD2 PHE 9 19.213 -4.690 -2.132 69 HE1 PHE 9 HE1 PHE 9 14.313 -5.243 -1.594 70 HE2 PHE 9 HE2 PHE 9 18.081 -6.695 -3.061 71 HZ PHE 9 HZ PHE 9 15.630 -6.971 -2.793 72 H VAL 10 H VAL 10 16.137 -2.082 -3.376 73 HA VAL 10 HA VAL 10 14.137 -0.263 -2.066 74 HB VAL 10 HB VAL 10 14.557 -0.900 -4.998 75 HG11 VAL 10 1HG1 VAL 10 12.559 0.699 -5.247 76 HG12 VAL 10 2HG1 VAL 10 12.241 0.389 -3.540 77 HG13 VAL 10 3HG1 VAL 10 12.196 -0.936 -4.700 78 HG21 VAL 10 3HG2 VAL 10 14.666 1.626 -3.324 79 HG22 VAL 10 1HG2 VAL 10 14.657 1.632 -5.087 80 HG23 VAL 10 2HG2 VAL 10 15.990 0.874 -4.214 81 H VAL 11 H VAL 11 12.207 -1.149 -1.579 82 HA VAL 11 HA VAL 11 11.802 -4.048 -2.226 83 HB VAL 11 HB VAL 11 10.877 -2.323 0.083 84 HG11 VAL 11 1HG1 VAL 11 9.932 -5.034 -0.856 85 HG12 VAL 11 2HG1 VAL 11 8.965 -3.647 -0.361 86 HG13 VAL 11 3HG1 VAL 11 9.845 -4.584 0.846 87 HG21 VAL 11 3HG2 VAL 11 12.175 -3.853 1.411 88 HG22 VAL 11 1HG2 VAL 11 13.191 -3.371 0.053 89 HG23 VAL 11 2HG2 VAL 11 12.395 -4.944 0.042 90 H ARG 12 H ARG 12 10.071 -4.608 -3.396 91 HA ARG 12 HA ARG 12 7.862 -2.620 -3.810 92 HB2 ARG 12 2HB ARG 12 9.225 -4.355 -5.887 93 HB3 ARG 12 3HB ARG 12 7.732 -3.459 -6.169 94 HG2 ARG 12 2HG ARG 12 8.861 -1.350 -5.679 95 HG3 ARG 12 3HG ARG 12 10.348 -2.212 -5.287 96 HD2 ARG 12 2HD ARG 12 10.494 -1.341 -7.567 97 HD3 ARG 12 3HD ARG 12 10.409 -3.102 -7.619 98 HE ARG 12 HE ARG 12 7.771 -1.947 -7.806 99 HH11 ARG 12 1HH2 ARG 12 10.693 -2.554 -9.556 100 HH12 ARG 12 2HH2 ARG 12 9.904 -2.596 -11.097 101 HH21 ARG 12 1HH1 ARG 12 6.748 -1.998 -9.804 102 HH22 ARG 12 2HH1 ARG 12 7.678 -2.281 -11.238 103 H ARG 13 H ARG 13 5.835 -3.483 -3.755 104 HA ARG 13 HA ARG 13 5.525 -6.454 -3.672 105 HB2 ARG 13 2HB ARG 13 4.448 -4.477 -1.649 106 HB3 ARG 13 3HB ARG 13 3.927 -6.156 -1.760 107 HG2 ARG 13 2HG ARG 13 6.801 -5.283 -1.343 108 HG3 ARG 13 3HG ARG 13 5.720 -5.780 -0.043 109 HD2 ARG 13 2HD ARG 13 5.399 -7.931 -1.596 110 HD3 ARG 13 3HD ARG 13 6.985 -7.440 -2.198 111 HE ARG 13 HE ARG 13 7.403 -7.393 0.479 112 HH11 ARG 13 1HH2 ARG 13 5.869 -9.647 -1.643 113 HH12 ARG 13 2HH2 ARG 13 6.272 -11.026 -0.676 114 HH21 ARG 13 1HH1 ARG 13 7.930 -9.178 1.741 115 HH22 ARG 13 2HH1 ARG 13 7.436 -10.760 1.236 116 H GLU 14 H GLU 14 3.425 -7.185 -4.213 117 HA GLU 14 HA GLU 14 1.534 -5.149 -5.303 118 HB2 GLU 14 2HB GLU 14 2.601 -7.559 -6.806 119 HB3 GLU 14 3HB GLU 14 1.238 -6.577 -7.337 120 HG2 GLU 14 2HG GLU 14 3.028 -5.611 -8.500 121 HG3 GLU 14 3HG GLU 14 2.899 -4.563 -7.089 122 H ALA 15 H ALA 15 -0.626 -5.866 -5.377 123 HA ALA 15 HA ALA 15 -1.319 -8.590 -4.564 124 HB1 ALA 15 3HB ALA 15 -2.031 -6.287 -2.733 125 HB2 ALA 15 1HB ALA 15 -0.775 -7.478 -2.394 126 HB3 ALA 15 2HB ALA 15 -2.462 -7.981 -2.506 127 H HIS 16 H HIS 16 -3.586 -8.989 -4.780 128 HA HIS 16 HA HIS 16 -4.984 -6.986 -6.507 129 HB2 HIS 16 2HB HIS 16 -5.431 -9.960 -6.115 130 HB3 HIS 16 3HB HIS 16 -6.380 -8.932 -7.189 131 HD1 HIS 16 HD1 HIS 16 -4.957 -7.697 -9.138 132 HD2 HIS 16 HD2 HIS 16 -3.062 -10.892 -7.246 133 HE1 HIS 16 HE1 HIS 16 -3.042 -8.385 -10.643 134 H LEU 17 H LEU 17 -6.801 -6.028 -5.790 135 HA LEU 17 HA LEU 17 -8.000 -6.969 -3.204 136 HB2 LEU 17 2HB LEU 17 -7.885 -4.191 -4.407 137 HB3 LEU 17 3HB LEU 17 -8.735 -4.617 -2.921 138 HG LEU 17 HG LEU 17 -6.330 -5.647 -2.277 139 HD11 LEU 17 1HD1 LEU 17 -4.533 -4.137 -3.100 140 HD12 LEU 17 2HD1 LEU 17 -5.685 -3.399 -4.212 141 HD13 LEU 17 3HD1 LEU 17 -5.240 -5.094 -4.398 142 HD21 LEU 17 3HD2 LEU 17 -5.781 -3.355 -1.283 143 HD22 LEU 17 1HD2 LEU 17 -7.368 -4.015 -0.883 144 HD23 LEU 17 2HD2 LEU 17 -7.219 -2.760 -2.113 145 H ALA 18 H ALA 18 -10.172 -7.245 -3.100 146 HA ALA 18 HA ALA 18 -11.629 -7.353 -5.664 147 HB1 ALA 18 3HB ALA 18 -12.451 -8.196 -2.869 148 HB2 ALA 18 1HB ALA 18 -11.742 -9.255 -4.088 149 HB3 ALA 18 2HB ALA 18 -13.338 -8.552 -4.352 150 H ALA 19 H ALA 19 -11.444 -4.870 -5.632 151 HA ALA 19 HA ALA 19 -14.015 -3.770 -5.102 152 HB1 ALA 19 3HB ALA 19 -11.937 -3.404 -2.977 153 HB2 ALA 19 1HB ALA 19 -13.689 -3.519 -2.815 154 HB3 ALA 19 2HB ALA 19 -12.950 -2.012 -3.360 155 HA PRO 20 HA PRO 20 -12.435 -0.882 -8.054 156 HB2 PRO 20 2HB PRO 20 -13.842 1.422 -7.365 157 HB3 PRO 20 3HB PRO 20 -14.524 0.068 -8.287 158 HG2 PRO 20 2HG PRO 20 -14.769 0.689 -5.375 159 HG3 PRO 20 3HG PRO 20 -15.995 0.084 -6.505 160 HD2 PRO 20 2HD PRO 20 -14.748 -1.558 -4.752 161 HD3 PRO 20 3HD PRO 20 -15.227 -2.114 -6.370 162 HA PRO 21 HA PRO 21 -9.105 1.475 -6.348 163 HB2 PRO 21 2HB PRO 21 -9.060 3.700 -8.016 164 HB3 PRO 21 3HB PRO 21 -8.390 2.119 -8.446 165 HG2 PRO 21 2HG PRO 21 -10.998 3.345 -9.211 166 HG3 PRO 21 3HG PRO 21 -9.910 2.319 -10.163 167 HD2 PRO 21 2HD PRO 21 -12.196 1.360 -9.026 168 HD3 PRO 21 3HD PRO 21 -10.751 0.350 -9.256 169 H ALA 22 H ALA 22 -12.150 3.160 -6.842 170 HA ALA 22 HA ALA 22 -11.575 5.503 -5.294 171 HB1 ALA 22 3HB ALA 22 -13.537 5.404 -6.750 172 HB2 ALA 22 1HB ALA 22 -14.069 5.665 -5.087 173 HB3 ALA 22 2HB ALA 22 -14.194 4.062 -5.813 174 H ALA 23 H ALA 23 -12.873 2.319 -4.440 175 HA ALA 23 HA ALA 23 -13.414 2.927 -1.679 176 HB1 ALA 23 3HB ALA 23 -13.257 0.395 -1.421 177 HB2 ALA 23 1HB ALA 23 -12.853 0.334 -3.136 178 HB3 ALA 23 2HB ALA 23 -14.420 0.958 -2.623 179 H VAL 24 H VAL 24 -10.577 1.721 -3.400 180 HA VAL 24 HA VAL 24 -8.978 1.140 -1.085 181 HB VAL 24 HB VAL 24 -8.188 1.907 -3.908 182 HG11 VAL 24 1HG1 VAL 24 -6.568 0.978 -1.531 183 HG12 VAL 24 2HG1 VAL 24 -6.273 2.360 -2.585 184 HG13 VAL 24 3HG1 VAL 24 -6.012 0.724 -3.185 185 HG21 VAL 24 3HG2 VAL 24 -9.391 -0.168 -3.908 186 HG22 VAL 24 1HG2 VAL 24 -8.557 -0.726 -2.457 187 HG23 VAL 24 2HG2 VAL 24 -7.682 -0.593 -3.982 188 H PHE 25 H PHE 25 -9.323 4.033 -3.109 189 HA PHE 25 HA PHE 25 -7.357 5.631 -1.786 190 HB2 PHE 25 2HB PHE 25 -8.348 6.296 -3.940 191 HB3 PHE 25 3HB PHE 25 -9.919 6.495 -3.160 192 HD1 PHE 25 HD2 PHE 25 -6.360 7.628 -2.841 193 HD2 PHE 25 HD1 PHE 25 -10.509 8.602 -2.304 194 HE1 PHE 25 HE2 PHE 25 -5.732 9.931 -2.166 195 HE2 PHE 25 HE1 PHE 25 -9.880 10.904 -1.626 196 HZ PHE 25 HZ PHE 25 -7.492 11.567 -1.557 197 H ALA 26 H ALA 26 -10.825 5.178 -1.197 198 HA ALA 26 HA ALA 26 -11.128 7.092 0.887 199 HB1 ALA 26 3HB ALA 26 -12.966 5.776 -0.294 200 HB2 ALA 26 1HB ALA 26 -13.148 5.921 1.455 201 HB3 ALA 26 2HB ALA 26 -12.543 4.422 0.752 202 H LEU 27 H LEU 27 -10.022 3.733 0.945 203 HA LEU 27 HA LEU 27 -9.907 3.438 3.793 204 HB2 LEU 27 2HB LEU 27 -8.546 2.117 1.463 205 HB3 LEU 27 3HB LEU 27 -7.984 1.755 3.094 206 HG LEU 27 HG LEU 27 -10.936 1.611 2.486 207 HD11 LEU 27 1HD1 LEU 27 -8.825 -0.405 1.708 208 HD12 LEU 27 2HD1 LEU 27 -10.147 0.231 0.730 209 HD13 LEU 27 3HD1 LEU 27 -10.486 -0.893 2.045 210 HD21 LEU 27 3HD2 LEU 27 -9.388 -0.296 4.229 211 HD22 LEU 27 1HD2 LEU 27 -11.025 0.329 4.434 212 HD23 LEU 27 2HD2 LEU 27 -9.638 1.349 4.815 213 H MET 28 H MET 28 -7.563 4.620 1.428 214 HA MET 28 HA MET 28 -5.599 5.203 3.550 215 HB2 MET 28 2HB MET 28 -5.594 5.687 0.561 216 HB3 MET 28 3HB MET 28 -4.259 6.122 1.629 217 HG2 MET 28 2HG MET 28 -4.158 3.727 2.372 218 HG3 MET 28 3HG MET 28 -5.371 3.340 1.155 219 HE1 MET 28 3HE MET 28 -3.893 3.692 -2.144 220 HE2 MET 28 1HE MET 28 -4.321 5.279 -1.493 221 HE3 MET 28 2HE MET 28 -5.302 3.870 -1.103 222 H THR 29 H THR 29 -8.343 6.673 2.389 223 HA THR 29 HA THR 29 -7.342 9.392 3.172 224 HB THR 29 HB THR 29 -9.580 8.902 1.200 225 HG1 THR 29 HG1 THR 29 -7.296 9.767 0.089 226 HG21 THR 29 3HG2 THR 29 -7.737 11.271 1.570 227 HG22 THR 29 1HG2 THR 29 -9.283 11.120 2.402 228 HG23 THR 29 2HG2 THR 29 -9.236 11.210 0.642 229 H ASP 30 H ASP 30 -8.129 8.053 5.212 230 HA ASP 30 HA ASP 30 -10.423 9.423 6.173 231 HB2 ASP 30 2HB ASP 30 -11.712 7.844 4.818 232 HB3 ASP 30 3HB ASP 30 -10.884 6.483 5.574 233 HA PRO 31 HA PRO 31 -7.886 7.978 9.645 234 HB2 PRO 31 2HB PRO 31 -9.102 9.379 11.647 235 HB3 PRO 31 3HB PRO 31 -8.050 10.155 10.446 236 HG2 PRO 31 2HG PRO 31 -11.034 10.056 10.562 237 HG3 PRO 31 3HG PRO 31 -9.969 11.407 10.133 238 HD2 PRO 31 2HD PRO 31 -11.260 9.848 8.268 239 HD3 PRO 31 3HD PRO 31 -9.736 10.700 7.947 240 H GLU 32 H GLU 32 -11.424 7.923 9.838 241 HA GLU 32 HA GLU 32 -11.542 6.071 12.062 242 HB2 GLU 32 2HB GLU 32 -13.576 6.882 9.971 243 HB3 GLU 32 3HB GLU 32 -13.950 5.825 11.332 244 HG2 GLU 32 2HG GLU 32 -13.299 7.579 12.911 245 HG3 GLU 32 3HG GLU 32 -12.829 8.633 11.578 246 H LYS 33 H LYS 33 -11.791 5.702 8.536 247 HA LYS 33 HA LYS 33 -12.358 2.907 8.559 248 HB2 LYS 33 2HB LYS 33 -12.479 4.675 6.628 249 HB3 LYS 33 3HB LYS 33 -10.797 4.236 6.357 250 HG2 LYS 33 2HG LYS 33 -11.618 2.530 5.070 251 HG3 LYS 33 3HG LYS 33 -12.013 1.738 6.588 252 HD2 LYS 33 2HD LYS 33 -13.879 3.628 5.124 253 HD3 LYS 33 3HD LYS 33 -13.925 1.875 4.956 254 HE2 LYS 33 2HE LYS 33 -15.544 2.326 6.614 255 HE3 LYS 33 3HE LYS 33 -14.131 1.820 7.537 256 HZ1 LYS 33 3HZ LYS 33 -14.267 4.652 6.938 257 HZ2 LYS 33 1HZ LYS 33 -13.853 3.871 8.384 258 HZ3 LYS 33 2HZ LYS 33 -15.487 4.085 7.975 259 H ILE 34 H ILE 34 -9.326 4.706 8.441 260 HA ILE 34 HA ILE 34 -7.612 2.448 8.033 261 HB ILE 34 HB ILE 34 -7.124 5.150 9.310 262 HG12 ILE 34 2HG1 ILE 34 -6.165 4.077 6.650 263 HG13 ILE 34 3HG1 ILE 34 -7.707 4.916 6.818 264 HG21 ILE 34 1HG2 ILE 34 -4.681 4.562 8.865 265 HG22 ILE 34 2HG2 ILE 34 -5.214 2.895 8.668 266 HG23 ILE 34 3HG2 ILE 34 -5.434 3.715 10.214 267 HD11 ILE 34 3HD1 ILE 34 -6.040 6.546 6.162 268 HD12 ILE 34 1HD1 ILE 34 -4.950 6.014 7.442 269 HD13 ILE 34 2HD1 ILE 34 -6.450 6.848 7.850 270 H LEU 35 H LEU 35 -8.795 4.044 10.968 271 HA LEU 35 HA LEU 35 -7.303 2.342 12.779 272 HB2 LEU 35 2HB LEU 35 -9.741 4.094 13.203 273 HB3 LEU 35 3HB LEU 35 -8.821 3.340 14.503 274 HG LEU 35 HG LEU 35 -7.531 5.149 12.445 275 HD11 LEU 35 1HD1 LEU 35 -9.251 6.471 13.548 276 HD12 LEU 35 2HD1 LEU 35 -7.675 6.939 14.183 277 HD13 LEU 35 3HD1 LEU 35 -8.730 5.892 15.131 278 HD21 LEU 35 3HD2 LEU 35 -5.861 3.926 13.596 279 HD22 LEU 35 1HD2 LEU 35 -6.724 4.010 15.128 280 HD23 LEU 35 2HD2 LEU 35 -5.942 5.444 14.477 281 H ARG 36 H ARG 36 -9.909 1.707 10.796 282 HA ARG 36 HA ARG 36 -11.404 -0.049 12.595 283 HB2 ARG 36 2HB ARG 36 -12.430 1.089 10.605 284 HB3 ARG 36 3HB ARG 36 -11.430 0.075 9.567 285 HG2 ARG 36 2HG ARG 36 -12.476 -1.943 10.466 286 HG3 ARG 36 3HG ARG 36 -13.432 -0.973 11.586 287 HD2 ARG 36 2HD ARG 36 -14.432 0.210 9.603 288 HD3 ARG 36 3HD ARG 36 -13.595 -0.940 8.559 289 HE ARG 36 HE ARG 36 -15.201 -2.267 10.586 290 HH11 ARG 36 1HH2 ARG 36 -15.213 -0.693 7.508 291 HH12 ARG 36 2HH2 ARG 36 -16.625 -1.526 6.950 292 HH21 ARG 36 1HH1 ARG 36 -17.034 -3.349 9.867 293 HH22 ARG 36 2HH1 ARG 36 -17.654 -3.025 8.282 294 H TRP 37 H TRP 37 -8.589 -0.308 10.624 295 HA TRP 37 HA TRP 37 -8.334 -3.169 11.363 296 HB2 TRP 37 2HB TRP 37 -7.748 -3.825 9.067 297 HB3 TRP 37 3HB TRP 37 -9.382 -3.167 9.115 298 HD1 TRP 37 HD1 TRP 37 -9.772 -0.733 8.084 299 HE1 TRP 37 HE1 TRP 37 -8.419 0.625 6.360 300 HE3 TRP 37 HE3 TRP 37 -5.361 -3.307 8.194 301 HZ2 TRP 37 HZ2 TRP 37 -5.813 0.623 5.182 302 HZ3 TRP 37 HZ3 TRP 37 -3.464 -2.610 6.761 303 HH2 TRP 37 HH2 TRP 37 -3.683 -0.652 5.256 304 H MET 38 H MET 38 -7.076 -0.243 11.544 305 HA MET 38 HA MET 38 -4.357 -1.255 11.880 306 HB2 MET 38 2HB MET 38 -4.436 -0.770 9.431 307 HB3 MET 38 3HB MET 38 -4.834 0.905 9.809 308 HG2 MET 38 2HG MET 38 -2.714 1.090 11.108 309 HG3 MET 38 3HG MET 38 -2.313 -0.562 10.643 310 HE1 MET 38 3HE MET 38 -1.605 -0.617 7.053 311 HE2 MET 38 1HE MET 38 -2.298 -1.427 8.464 312 HE3 MET 38 2HE MET 38 -0.623 -0.880 8.491 313 H GLY 39 H GLY 39 -4.330 -0.489 13.947 314 HA2 GLY 39 2HA GLY 39 -3.617 1.246 15.437 315 HA3 GLY 39 3HA GLY 39 -4.193 2.454 14.291 316 H THR 40 H THR 40 -4.769 2.462 17.066 317 HA THR 40 HA THR 40 -7.695 1.808 17.161 318 HB THR 40 HB THR 40 -5.751 2.349 19.428 319 HG1 THR 40 HG1 THR 40 -5.565 0.325 18.201 320 HG21 THR 40 3HG2 THR 40 -7.648 1.477 20.812 321 HG22 THR 40 1HG2 THR 40 -8.654 1.495 19.363 322 HG23 THR 40 2HG2 THR 40 -8.014 3.005 20.009 323 H GLU 41 H GLU 41 -5.326 4.345 17.164 324 HA GLU 41 HA GLU 41 -7.474 6.342 17.072 325 HB2 GLU 41 2HB GLU 41 -7.084 6.118 19.516 326 HB3 GLU 41 3HB GLU 41 -5.382 6.510 19.265 327 HG2 GLU 41 2HG GLU 41 -5.995 8.700 18.340 328 HG3 GLU 41 3HG GLU 41 -7.706 8.308 18.501 329 H ALA 42 H ALA 42 -6.900 7.798 15.579 330 HA ALA 42 HA ALA 42 -4.244 8.929 15.377 331 HB1 ALA 42 3HB ALA 42 -3.966 6.647 14.287 332 HB2 ALA 42 1HB ALA 42 -3.541 8.028 13.279 333 HB3 ALA 42 2HB ALA 42 -5.083 7.205 13.041 334 H GLU 43 H GLU 43 -4.208 10.691 13.896 335 HA GLU 43 HA GLU 43 -6.730 11.288 12.432 336 HB2 GLU 43 2HB GLU 43 -5.433 13.106 14.484 337 HB3 GLU 43 3HB GLU 43 -6.661 13.641 13.338 338 HG2 GLU 43 2HG GLU 43 -7.032 11.397 15.349 339 HG3 GLU 43 3HG GLU 43 -7.631 13.042 15.555 340 H VAL 44 H VAL 44 -6.286 11.994 10.471 341 HA VAL 44 HA VAL 44 -3.542 12.488 9.625 342 HB VAL 44 HB VAL 44 -6.053 12.991 8.014 343 HG11 VAL 44 1HG1 VAL 44 -3.405 11.875 7.095 344 HG12 VAL 44 2HG1 VAL 44 -3.678 13.613 7.214 345 HG13 VAL 44 3HG1 VAL 44 -4.670 12.637 6.131 346 HG21 VAL 44 3HG2 VAL 44 -6.413 10.801 8.871 347 HG22 VAL 44 1HG2 VAL 44 -4.705 10.381 8.726 348 HG23 VAL 44 2HG2 VAL 44 -5.696 10.557 7.279 349 H GLU 45 H GLU 45 -6.371 14.502 8.856 350 HA GLU 45 HA GLU 45 -6.600 16.827 8.769 351 HB2 GLU 45 2HB GLU 45 -4.915 16.507 11.261 352 HB3 GLU 45 3HB GLU 45 -5.611 18.046 10.746 353 HG2 GLU 45 2HG GLU 45 -7.844 17.208 10.923 354 HG3 GLU 45 3HG GLU 45 -7.279 15.546 11.091 355 HA PRO 46 HA PRO 46 -2.345 17.156 6.813 356 HB2 PRO 46 2HB PRO 46 -3.278 17.644 4.250 357 HB3 PRO 46 3HB PRO 46 -2.922 16.022 4.875 358 HG2 PRO 46 2HG PRO 46 -5.549 17.410 4.600 359 HG3 PRO 46 3HG PRO 46 -5.139 15.710 4.320 360 HD2 PRO 46 2HD PRO 46 -6.398 16.561 6.579 361 HD3 PRO 46 3HD PRO 46 -5.314 15.158 6.570 362 H GLU 47 H GLU 47 -4.936 19.031 7.568 363 HA GLU 47 HA GLU 47 -3.506 21.470 7.600 364 HB2 GLU 47 2HB GLU 47 -4.463 20.880 4.990 365 HB3 GLU 47 3HB GLU 47 -5.578 22.090 5.617 366 HG2 GLU 47 2HG GLU 47 -3.634 23.514 6.233 367 HG3 GLU 47 3HG GLU 47 -2.560 22.320 5.503 368 HA PRO 48 HA PRO 48 -8.247 22.116 8.488 369 HB2 PRO 48 2HB PRO 48 -9.199 19.292 8.584 370 HB3 PRO 48 3HB PRO 48 -9.956 20.711 7.833 371 HG2 PRO 48 2HG PRO 48 -8.834 18.815 6.344 372 HG3 PRO 48 3HG PRO 48 -8.690 20.527 5.902 373 HD2 PRO 48 2HD PRO 48 -6.670 18.765 7.272 374 HD3 PRO 48 3HD PRO 48 -6.426 19.923 5.945 375 H GLY 49 H GLY 49 -8.600 22.517 10.601 376 HA2 GLY 49 2HA GLY 49 -8.094 22.453 12.916 377 HA3 GLY 49 3HA GLY 49 -8.971 20.931 12.779 378 H GLY 50 H GLY 50 -5.834 22.407 13.053 379 HA2 GLY 50 2HA GLY 50 -4.379 19.872 12.802 380 HA3 GLY 50 3HA GLY 50 -3.679 21.432 13.238 381 H LEU 51 H LEU 51 -5.470 18.673 14.475 382 HA LEU 51 HA LEU 51 -5.081 19.586 17.278 383 HB2 LEU 51 2HB LEU 51 -6.677 17.391 15.961 384 HB3 LEU 51 3HB LEU 51 -6.382 17.367 17.699 385 HG LEU 51 HG LEU 51 -7.344 19.671 17.847 386 HD11 LEU 51 1HD1 LEU 51 -8.772 20.314 15.804 387 HD12 LEU 51 2HD1 LEU 51 -7.791 19.159 14.901 388 HD13 LEU 51 3HD1 LEU 51 -7.030 20.555 15.664 389 HD21 LEU 51 3HD2 LEU 51 -8.759 17.752 18.336 390 HD22 LEU 51 1HD2 LEU 51 -9.081 17.507 16.619 391 HD23 LEU 51 2HD2 LEU 51 -9.705 18.939 17.437 392 H TYR 52 H TYR 52 -4.724 17.362 18.671 393 HA TYR 52 HA TYR 52 -1.949 16.676 18.193 394 HB2 TYR 52 2HB TYR 52 -3.066 16.874 20.459 395 HB3 TYR 52 3HB TYR 52 -3.850 15.330 20.120 396 HD1 TYR 52 HD2 TYR 52 -0.585 17.015 20.622 397 HD2 TYR 52 HD1 TYR 52 -2.623 13.258 20.179 398 HE1 TYR 52 HE2 TYR 52 1.465 15.818 21.341 399 HE2 TYR 52 HE1 TYR 52 -0.571 12.062 20.899 400 HH TYR 52 HH TYR 52 2.033 13.608 22.378 401 H LEU 53 H LEU 53 -1.133 14.941 17.197 402 HA LEU 53 HA LEU 53 -3.004 13.042 15.895 403 HB2 LEU 53 2HB LEU 53 -0.591 12.324 14.910 404 HB3 LEU 53 3HB LEU 53 -1.532 13.651 14.233 405 HG LEU 53 HG LEU 53 0.335 14.235 16.527 406 HD11 LEU 53 1HD1 LEU 53 2.072 14.749 14.702 407 HD12 LEU 53 2HD1 LEU 53 1.111 13.694 13.666 408 HD13 LEU 53 3HD1 LEU 53 1.837 13.056 15.139 409 HD21 LEU 53 3HD2 LEU 53 -1.360 15.864 15.305 410 HD22 LEU 53 1HD2 LEU 53 -0.118 15.916 14.060 411 HD23 LEU 53 2HD2 LEU 53 0.259 16.434 15.700 412 H VAL 54 H VAL 54 -2.624 10.768 16.008 413 HA VAL 54 HA VAL 54 -0.980 9.845 18.328 414 HB VAL 54 HB VAL 54 -3.747 8.840 17.623 415 HG11 VAL 54 1HG1 VAL 54 -1.716 8.139 19.747 416 HG12 VAL 54 2HG1 VAL 54 -2.521 7.063 18.606 417 HG13 VAL 54 3HG1 VAL 54 -3.430 7.770 19.940 418 HG21 VAL 54 3HG2 VAL 54 -4.410 9.914 19.763 419 HG22 VAL 54 1HG2 VAL 54 -3.843 11.098 18.585 420 HG23 VAL 54 2HG2 VAL 54 -2.788 10.593 19.906 421 H ASN 55 H ASN 55 -0.482 7.534 18.199 422 HA ASN 55 HA ASN 55 0.494 5.746 17.066 423 HB2 ASN 55 2HB ASN 55 -1.948 6.309 15.388 424 HB3 ASN 55 3HB ASN 55 -0.842 5.003 14.977 425 HD21 ASN 55 1HD2 ASN 55 -0.181 4.252 17.738 426 HD22 ASN 55 2HD2 ASN 55 -1.576 3.555 18.407 427 H VAL 56 H VAL 56 1.088 5.082 14.596 428 HA VAL 56 HA VAL 56 2.517 5.522 12.810 429 HB VAL 56 HB VAL 56 1.548 8.384 12.933 430 HG11 VAL 56 1HG1 VAL 56 3.414 7.749 11.368 431 HG12 VAL 56 2HG1 VAL 56 1.964 8.316 10.540 432 HG13 VAL 56 3HG1 VAL 56 2.320 6.590 10.612 433 HG21 VAL 56 3HG2 VAL 56 0.218 5.944 11.711 434 HG22 VAL 56 1HG2 VAL 56 -0.299 7.609 11.448 435 HG23 VAL 56 2HG2 VAL 56 -0.404 6.894 13.057 436 H THR 57 H THR 57 4.656 5.673 12.961 437 HA THR 57 HA THR 57 5.857 7.527 14.966 438 HB THR 57 HB THR 57 6.375 5.057 15.059 439 HG1 THR 57 HG1 THR 57 8.714 6.445 14.380 440 HG21 THR 57 3HG2 THR 57 7.598 3.984 13.366 441 HG22 THR 57 1HG2 THR 57 8.122 5.505 12.646 442 HG23 THR 57 2HG2 THR 57 6.456 4.962 12.445 443 H GLY 58 H GLY 58 8.184 8.195 14.226 444 HA2 GLY 58 2HA GLY 58 9.624 9.036 12.490 445 HA3 GLY 58 3HA GLY 58 8.287 8.916 11.342 446 H ALA 59 H ALA 59 6.618 10.177 13.682 447 HA ALA 59 HA ALA 59 7.633 12.864 13.981 448 HB1 ALA 59 3HB ALA 59 6.215 14.057 12.450 449 HB2 ALA 59 1HB ALA 59 5.343 12.587 12.021 450 HB3 ALA 59 2HB ALA 59 7.018 12.797 11.515 451 H ARG 60 H ARG 60 6.636 13.680 15.740 452 HA ARG 60 HA ARG 60 3.941 12.602 16.523 453 HB2 ARG 60 2HB ARG 60 6.309 13.446 18.206 454 HB3 ARG 60 3HB ARG 60 4.707 13.138 18.874 455 HG2 ARG 60 2HG ARG 60 4.769 10.843 17.985 456 HG3 ARG 60 3HG ARG 60 6.362 11.147 17.292 457 HD2 ARG 60 2HD ARG 60 7.274 11.563 19.541 458 HD3 ARG 60 3HD ARG 60 5.679 11.294 20.241 459 HE ARG 60 HE ARG 60 5.937 8.953 19.863 460 HH11 ARG 60 1HH2 ARG 60 8.462 10.829 18.425 461 HH12 ARG 60 2HH2 ARG 60 9.468 9.456 18.111 462 HH21 ARG 60 1HH1 ARG 60 7.241 7.172 19.459 463 HH22 ARG 60 2HH1 ARG 60 8.779 7.390 18.692 464 H PHE 61 H PHE 61 6.053 15.461 16.428 465 HA PHE 61 HA PHE 61 4.221 17.303 17.629 466 HB2 PHE 61 2HB PHE 61 6.572 17.887 17.253 467 HB3 PHE 61 3HB PHE 61 6.334 17.784 15.509 468 HD1 PHE 61 HD2 PHE 61 5.189 19.587 18.568 469 HD2 PHE 61 HD1 PHE 61 5.500 19.635 14.285 470 HE1 PHE 61 HE2 PHE 61 4.411 21.940 18.538 471 HE2 PHE 61 HE1 PHE 61 4.723 21.989 14.254 472 HZ PHE 61 HZ PHE 61 4.176 23.143 16.382 473 H ALA 62 H ALA 62 4.744 16.406 14.227 474 HA ALA 62 HA ALA 62 1.945 16.871 13.595 475 HB1 ALA 62 3HB ALA 62 2.751 19.206 13.584 476 HB2 ALA 62 1HB ALA 62 2.309 18.678 11.960 477 HB3 ALA 62 2HB ALA 62 4.006 18.761 12.429 478 H ARG 63 H ARG 63 1.955 17.019 10.927 479 HA ARG 63 HA ARG 63 3.524 14.617 10.064 480 HB2 ARG 63 2HB ARG 63 0.967 15.861 9.014 481 HB3 ARG 63 3HB ARG 63 1.810 14.541 8.204 482 HG2 ARG 63 2HG ARG 63 1.584 13.155 10.243 483 HG3 ARG 63 3HG ARG 63 0.719 14.472 11.035 484 HD2 ARG 63 2HD ARG 63 -1.019 14.379 9.278 485 HD3 ARG 63 3HD ARG 63 -0.166 13.039 8.512 486 HE ARG 63 HE ARG 63 -1.744 12.895 10.994 487 HH11 ARG 63 1HH2 ARG 63 0.614 11.463 8.908 488 HH12 ARG 63 2HH2 ARG 63 0.353 9.861 9.511 489 HH21 ARG 63 1HH1 ARG 63 -2.088 10.822 11.774 490 HH22 ARG 63 2HH1 ARG 63 -1.175 9.497 11.130 491 H GLY 64 H GLY 64 3.699 17.893 9.960 492 HA2 GLY 64 2HA GLY 64 5.010 19.347 8.661 493 HA3 GLY 64 3HA GLY 64 5.670 17.921 7.867 494 H SER 65 H SER 65 5.384 18.074 5.728 495 HA SER 65 HA SER 65 2.714 18.933 4.679 496 HB2 SER 65 2HB SER 65 4.295 20.828 4.505 497 HB3 SER 65 3HB SER 65 5.415 19.805 3.611 498 HG SER 65 HG SER 65 4.302 20.310 1.915 499 H PHE 66 H PHE 66 2.018 17.779 2.929 500 HA PHE 66 HA PHE 66 3.309 15.244 2.370 501 HB2 PHE 66 2HB PHE 66 1.435 14.870 0.830 502 HB3 PHE 66 3HB PHE 66 0.850 15.500 2.368 503 HD1 PHE 66 HD1 PHE 66 1.507 16.313 -1.179 504 HD2 PHE 66 HD2 PHE 66 -0.109 17.723 2.543 505 HE1 PHE 66 HE1 PHE 66 0.426 18.206 -2.364 506 HE2 PHE 66 HE2 PHE 66 -1.186 19.617 1.359 507 HZ PHE 66 HZ PHE 66 -0.919 19.859 -1.095 508 H ARG 67 H ARG 67 4.269 14.567 0.459 509 HA ARG 67 HA ARG 67 5.761 16.575 -1.008 510 HB2 ARG 67 2HB ARG 67 5.417 13.588 -1.350 511 HB3 ARG 67 3HB ARG 67 6.479 14.557 -2.372 512 HG2 ARG 67 2HG ARG 67 7.748 15.281 -0.403 513 HG3 ARG 67 3HG ARG 67 6.663 14.373 0.650 514 HD2 ARG 67 2HD ARG 67 7.326 12.280 -0.450 515 HD3 ARG 67 3HD ARG 67 8.390 13.174 -1.534 516 HE ARG 67 HE ARG 67 9.926 13.475 0.267 517 HH11 ARG 67 1HH2 ARG 67 6.938 12.053 1.282 518 HH12 ARG 67 2HH2 ARG 67 7.547 11.593 2.836 519 HH21 ARG 67 1HH1 ARG 67 10.715 12.874 2.280 520 HH22 ARG 67 2HH1 ARG 67 9.679 12.056 3.401 521 H GLU 68 H GLU 68 3.789 13.969 -2.424 522 HA GLU 68 HA GLU 68 2.420 16.001 -4.152 523 HB2 GLU 68 2HB GLU 68 3.871 13.511 -5.090 524 HB3 GLU 68 3HB GLU 68 2.750 14.426 -6.096 525 HG2 GLU 68 2HG GLU 68 4.130 16.441 -5.838 526 HG3 GLU 68 3HG GLU 68 5.237 15.561 -4.784 527 H VAL 69 H VAL 69 0.284 15.549 -4.448 528 HA VAL 69 HA VAL 69 -0.707 12.852 -3.590 529 HB VAL 69 HB VAL 69 -1.838 15.585 -2.948 530 HG11 VAL 69 1HG1 VAL 69 -3.634 14.150 -1.771 531 HG12 VAL 69 2HG1 VAL 69 -3.083 12.832 -2.803 532 HG13 VAL 69 3HG1 VAL 69 -3.751 14.294 -3.524 533 HG21 VAL 69 3HG2 VAL 69 0.004 14.484 -1.527 534 HG22 VAL 69 1HG2 VAL 69 -1.205 13.273 -1.100 535 HG23 VAL 69 2HG2 VAL 69 -1.464 14.965 -0.675 536 H VAL 70 H VAL 70 -2.017 11.885 -4.996 537 HA VAL 70 HA VAL 70 -3.329 13.523 -7.119 538 HB VAL 70 HB VAL 70 -2.308 10.752 -7.704 539 HG11 VAL 70 1HG1 VAL 70 -3.958 11.984 -9.185 540 HG12 VAL 70 2HG1 VAL 70 -2.450 11.556 -9.994 541 HG13 VAL 70 3HG1 VAL 70 -2.716 13.209 -9.441 542 HG21 VAL 70 3HG2 VAL 70 -0.311 11.849 -6.992 543 HG22 VAL 70 1HG2 VAL 70 -0.792 13.371 -7.743 544 HG23 VAL 70 2HG2 VAL 70 -0.324 12.000 -8.749 545 HA PRO 71 HA PRO 71 -6.710 11.431 -4.832 546 HB2 PRO 71 2HB PRO 71 -8.221 12.553 -7.167 547 HB3 PRO 71 3HB PRO 71 -8.603 12.632 -5.436 548 HG2 PRO 71 2HG PRO 71 -7.597 14.733 -6.761 549 HG3 PRO 71 3HG PRO 71 -7.184 14.405 -5.068 550 HD2 PRO 71 2HD PRO 71 -5.515 14.065 -7.507 551 HD3 PRO 71 3HD PRO 71 -5.016 14.366 -5.829 552 H VAL 72 H VAL 72 -7.442 9.415 -5.032 553 HA VAL 72 HA VAL 72 -7.399 7.234 -5.934 554 HB VAL 72 HB VAL 72 -9.688 7.868 -6.149 555 HG11 VAL 72 1HG1 VAL 72 -8.790 9.345 -8.625 556 HG12 VAL 72 2HG1 VAL 72 -9.561 10.009 -7.183 557 HG13 VAL 72 3HG1 VAL 72 -10.483 8.988 -8.287 558 HG21 VAL 72 3HG2 VAL 72 -10.278 6.183 -7.596 559 HG22 VAL 72 1HG2 VAL 72 -8.539 5.930 -7.726 560 HG23 VAL 72 2HG2 VAL 72 -9.381 6.883 -8.943 561 H HIS 73 H HIS 73 -5.080 7.882 -6.740 562 HA HIS 73 HA HIS 73 -4.836 6.771 -9.417 563 HB2 HIS 73 2HB HIS 73 -5.329 9.152 -9.955 564 HB3 HIS 73 3HB HIS 73 -3.945 9.637 -8.972 565 HD1 HIS 73 HD1 HIS 73 -4.750 7.593 -12.070 566 HD2 HIS 73 HD2 HIS 73 -1.482 9.464 -10.282 567 HE1 HIS 73 HE1 HIS 73 -2.848 7.463 -13.738 568 H ARG 74 H ARG 74 -2.792 9.048 -7.586 569 HA ARG 74 HA ARG 74 -0.977 6.830 -6.817 570 HB2 ARG 74 2HB ARG 74 -0.191 7.602 -9.043 571 HB3 ARG 74 3HB ARG 74 -0.035 9.238 -8.401 572 HG2 ARG 74 2HG ARG 74 1.618 8.473 -6.764 573 HG3 ARG 74 3HG ARG 74 1.420 6.808 -7.311 574 HD2 ARG 74 2HD ARG 74 3.414 7.770 -8.339 575 HD3 ARG 74 3HD ARG 74 2.192 7.495 -9.576 576 HE ARG 74 HE ARG 74 1.939 9.853 -9.812 577 HH11 ARG 74 1HH2 ARG 74 3.951 8.989 -7.135 578 HH12 ARG 74 2HH2 ARG 74 4.540 10.599 -6.901 579 HH21 ARG 74 1HH1 ARG 74 2.705 11.941 -9.514 580 HH22 ARG 74 2HH1 ARG 74 3.837 12.268 -8.245 581 H LEU 75 H LEU 75 0.207 7.280 -4.977 582 HA LEU 75 HA LEU 75 -0.049 10.016 -3.790 583 HB2 LEU 75 2HB LEU 75 -0.628 7.332 -2.548 584 HB3 LEU 75 3HB LEU 75 -0.196 8.716 -1.544 585 HG LEU 75 HG LEU 75 -2.380 8.993 -3.613 586 HD11 LEU 75 1HD1 LEU 75 -3.145 7.072 -2.421 587 HD12 LEU 75 2HD1 LEU 75 -3.981 8.447 -1.701 588 HD13 LEU 75 3HD1 LEU 75 -2.601 7.724 -0.876 589 HD21 LEU 75 3HD2 LEU 75 -1.826 10.266 -0.906 590 HD22 LEU 75 1HD2 LEU 75 -3.209 10.645 -1.931 591 HD23 LEU 75 2HD2 LEU 75 -1.581 11.022 -2.475 592 H ALA 76 H ALA 76 1.778 10.795 -2.875 593 HA ALA 76 HA ALA 76 4.078 8.924 -2.472 594 HB1 ALA 76 3HB ALA 76 4.238 10.236 -4.651 595 HB2 ALA 76 1HB ALA 76 5.590 10.460 -3.540 596 HB3 ALA 76 2HB ALA 76 4.336 11.695 -3.667 597 H TYR 77 H TYR 77 4.488 9.000 -0.368 598 HA TYR 77 HA TYR 77 5.209 11.455 0.951 599 HB2 TYR 77 2HB TYR 77 2.770 11.742 1.063 600 HB3 TYR 77 3HB TYR 77 2.612 10.154 1.814 601 HD1 TYR 77 HD2 TYR 77 4.626 13.297 2.267 602 HD2 TYR 77 HD1 TYR 77 2.451 10.104 4.151 603 HE1 TYR 77 HE2 TYR 77 5.067 14.307 4.486 604 HE2 TYR 77 HE1 TYR 77 2.898 11.117 6.373 605 HH TYR 77 HH TYR 77 3.447 13.282 7.324 606 H SER 78 H SER 78 5.412 10.944 3.442 607 HA SER 78 HA SER 78 6.966 8.458 3.635 608 HB2 SER 78 2HB SER 78 7.451 9.374 5.955 609 HB3 SER 78 3HB SER 78 7.978 10.387 4.615 610 HG SER 78 HG SER 78 5.387 10.773 5.558 611 H PHE 79 H PHE 79 6.629 6.902 5.310 612 HA PHE 79 HA PHE 79 4.142 6.936 6.859 613 HB2 PHE 79 2HB PHE 79 4.548 5.088 4.503 614 HB3 PHE 79 3HB PHE 79 3.511 4.628 5.855 615 HD1 PHE 79 HD2 PHE 79 1.690 6.318 6.577 616 HD2 PHE 79 HD1 PHE 79 3.698 6.479 2.786 617 HE1 PHE 79 HE2 PHE 79 -0.148 7.706 5.665 618 HE2 PHE 79 HE1 PHE 79 1.862 7.872 1.873 619 HZ PHE 79 HZ PHE 79 -0.063 8.485 3.311 620 H GLY 80 H GLY 80 5.241 6.578 8.722 621 HA2 GLY 80 2HA GLY 80 7.394 4.590 8.886 622 HA3 GLY 80 3HA GLY 80 6.809 5.601 10.206 623 H TRP 81 H TRP 81 7.096 3.371 11.252 624 HA TRP 81 HA TRP 81 4.860 1.497 10.746 625 HB2 TRP 81 2HB TRP 81 7.305 1.409 12.523 626 HB3 TRP 81 3HB TRP 81 6.053 0.168 12.570 627 HD1 TRP 81 HD1 TRP 81 8.994 1.366 10.545 628 HE1 TRP 81 HE1 TRP 81 9.348 -0.202 8.527 629 HE3 TRP 81 HE3 TRP 81 4.713 -1.404 10.818 630 HZ2 TRP 81 HZ2 TRP 81 7.992 -2.348 7.205 631 HZ3 TRP 81 HZ3 TRP 81 4.270 -3.202 9.171 632 HH2 TRP 81 HH2 TRP 81 5.903 -3.678 7.366 633 H ASP 82 H ASP 82 3.323 0.958 12.317 634 HA ASP 82 HA ASP 82 2.364 3.114 13.952 635 HB2 ASP 82 2HB ASP 82 0.710 1.446 14.767 636 HB3 ASP 82 3HB ASP 82 0.850 1.422 13.011 637 H GLY 83 H GLY 83 4.501 0.446 14.567 638 HA2 GLY 83 2HA GLY 83 4.289 0.247 17.397 639 HA3 GLY 83 3HA GLY 83 5.726 -0.165 16.466 640 H SER 84 H SER 84 7.435 0.885 17.306 641 HA SER 84 HA SER 84 7.217 3.820 17.825 642 HB2 SER 84 2HB SER 84 7.035 2.318 19.948 643 HB3 SER 84 3HB SER 84 8.752 2.015 19.697 644 HG SER 84 HG SER 84 8.256 4.622 19.408 645 H GLU 85 H GLU 85 8.627 1.581 15.998 646 HA GLU 85 HA GLU 85 11.425 1.926 16.292 647 HB2 GLU 85 2HB GLU 85 10.329 0.188 14.866 648 HB3 GLU 85 3HB GLU 85 9.918 1.453 13.706 649 HG2 GLU 85 2HG GLU 85 12.312 2.000 13.454 650 HG3 GLU 85 3HG GLU 85 12.723 0.737 14.613 651 H VAL 86 H VAL 86 12.823 3.427 15.548 652 HA VAL 86 HA VAL 86 11.749 6.045 14.810 653 HB VAL 86 HB VAL 86 14.665 5.232 14.900 654 HG11 VAL 86 1HG1 VAL 86 13.166 7.847 15.207 655 HG12 VAL 86 2HG1 VAL 86 14.348 7.422 13.970 656 HG13 VAL 86 3HG1 VAL 86 14.865 7.653 15.637 657 HG21 VAL 86 3HG2 VAL 86 14.556 6.053 17.288 658 HG22 VAL 86 1HG2 VAL 86 13.705 4.533 17.008 659 HG23 VAL 86 2HG2 VAL 86 12.798 6.040 17.148 660 H VAL 87 H VAL 87 11.359 6.647 12.781 661 HA VAL 87 HA VAL 87 13.190 5.935 10.592 662 HB VAL 87 HB VAL 87 10.302 5.013 10.657 663 HG11 VAL 87 1HG1 VAL 87 10.989 4.151 8.285 664 HG12 VAL 87 2HG1 VAL 87 12.225 5.407 8.363 665 HG13 VAL 87 3HG1 VAL 87 10.518 5.840 8.460 666 HG21 VAL 87 3HG2 VAL 87 11.699 3.368 11.657 667 HG22 VAL 87 1HG2 VAL 87 12.996 3.641 10.496 668 HG23 VAL 87 2HG2 VAL 87 11.517 2.832 9.989 669 HA PRO 88 HA PRO 88 11.522 10.282 10.534 670 HB2 PRO 88 2HB PRO 88 13.993 10.555 8.862 671 HB3 PRO 88 3HB PRO 88 13.420 11.575 10.198 672 HG2 PRO 88 2HG PRO 88 15.454 9.862 10.512 673 HG3 PRO 88 3HG PRO 88 14.291 10.178 11.813 674 HD2 PRO 88 2HD PRO 88 14.524 7.779 10.037 675 HD3 PRO 88 3HD PRO 88 13.992 7.885 11.728 676 HA PRO 89 HA PRO 89 9.619 10.019 6.522 677 HB2 PRO 89 2HB PRO 89 9.252 12.683 5.903 678 HB3 PRO 89 3HB PRO 89 8.264 11.813 7.093 679 HG2 PRO 89 2HG PRO 89 10.587 13.638 7.540 680 HG3 PRO 89 3HG PRO 89 9.065 13.512 8.441 681 HD2 PRO 89 2HD PRO 89 11.389 12.404 9.347 682 HD3 PRO 89 3HD PRO 89 9.800 11.687 9.689 683 H GLY 90 H GLY 90 12.535 11.860 6.934 684 HA2 GLY 90 2HA GLY 90 13.025 12.073 4.020 685 HA3 GLY 90 3HA GLY 90 14.050 12.724 5.299 686 H SER 91 H SER 91 13.851 10.065 6.731 687 HA SER 91 HA SER 91 16.257 8.892 5.643 688 HB2 SER 91 2HB SER 91 15.879 7.126 7.343 689 HB3 SER 91 3HB SER 91 15.711 8.737 8.037 690 HG SER 91 HG SER 91 13.995 6.926 8.308 691 H SER 92 H SER 92 12.824 8.163 5.349 692 HA SER 92 HA SER 92 13.492 6.253 3.151 693 HB2 SER 92 2HB SER 92 11.536 5.687 5.394 694 HB3 SER 92 3HB SER 92 11.792 4.671 3.976 695 HG SER 92 HG SER 92 14.157 5.014 4.865 696 H LEU 93 H LEU 93 11.914 6.135 1.553 697 HA LEU 93 HA LEU 93 9.661 8.094 1.789 698 HB2 LEU 93 2HB LEU 93 11.341 9.017 0.290 699 HB3 LEU 93 3HB LEU 93 11.423 7.504 -0.612 700 HG LEU 93 HG LEU 93 9.105 7.774 -1.352 701 HD11 LEU 93 1HD1 LEU 93 8.069 10.114 -0.788 702 HD12 LEU 93 2HD1 LEU 93 9.178 10.089 0.582 703 HD13 LEU 93 3HD1 LEU 93 7.959 8.826 0.406 704 HD21 LEU 93 3HD2 LEU 93 11.004 8.936 -2.559 705 HD22 LEU 93 1HD2 LEU 93 10.546 10.413 -1.710 706 HD23 LEU 93 2HD2 LEU 93 9.411 9.647 -2.821 707 H VAL 94 H VAL 94 7.699 7.250 1.382 708 HA VAL 94 HA VAL 94 7.562 4.528 0.115 709 HB VAL 94 HB VAL 94 5.876 5.821 2.268 710 HG11 VAL 94 1HG1 VAL 94 4.292 4.723 0.860 711 HG12 VAL 94 2HG1 VAL 94 4.636 3.572 2.152 712 HG13 VAL 94 3HG1 VAL 94 5.382 3.368 0.567 713 HG21 VAL 94 3HG2 VAL 94 7.296 3.150 2.246 714 HG22 VAL 94 1HG2 VAL 94 6.658 4.026 3.637 715 HG23 VAL 94 2HG2 VAL 94 8.084 4.630 2.793 716 H GLU 95 H GLU 95 6.361 4.369 -1.688 717 HA GLU 95 HA GLU 95 4.459 6.584 -2.379 718 HB2 GLU 95 2HB GLU 95 6.506 5.247 -4.166 719 HB3 GLU 95 3HB GLU 95 5.205 6.279 -4.761 720 HG2 GLU 95 2HG GLU 95 6.033 8.147 -3.427 721 HG3 GLU 95 3HG GLU 95 7.287 7.126 -2.729 722 H ILE 96 H ILE 96 2.586 5.924 -3.379 723 HA ILE 96 HA ILE 96 2.208 2.976 -3.811 724 HB ILE 96 HB ILE 96 0.216 4.950 -2.652 725 HG12 ILE 96 2HG1 ILE 96 0.528 3.024 -0.746 726 HG13 ILE 96 3HG1 ILE 96 2.143 2.981 -1.450 727 HG21 ILE 96 1HG2 ILE 96 -1.106 2.814 -2.292 728 HG22 ILE 96 2HG2 ILE 96 0.059 2.004 -3.338 729 HG23 ILE 96 3HG2 ILE 96 -0.940 3.311 -3.976 730 HD11 ILE 96 3HD1 ILE 96 0.751 5.472 -0.428 731 HD12 ILE 96 1HD1 ILE 96 2.391 5.392 -1.069 732 HD13 ILE 96 2HD1 ILE 96 1.995 4.572 0.440 733 H ASP 97 H ASP 97 1.382 2.459 -5.746 734 HA ASP 97 HA ASP 97 0.225 4.642 -7.457 735 HB2 ASP 97 2HB ASP 97 2.456 3.892 -8.227 736 HB3 ASP 97 3HB ASP 97 1.858 2.235 -8.317 737 H LEU 98 H LEU 98 -1.803 4.268 -8.109 738 HA LEU 98 HA LEU 98 -2.995 1.563 -7.681 739 HB2 LEU 98 2HB LEU 98 -4.345 4.220 -8.258 740 HB3 LEU 98 3HB LEU 98 -5.148 2.721 -7.795 741 HG LEU 98 HG LEU 98 -3.143 4.238 -6.094 742 HD11 LEU 98 1HD1 LEU 98 -5.432 5.294 -6.400 743 HD12 LEU 98 2HD1 LEU 98 -5.017 4.891 -4.734 744 HD13 LEU 98 3HD1 LEU 98 -6.115 3.854 -5.644 745 HD21 LEU 98 3HD2 LEU 98 -2.928 1.991 -5.428 746 HD22 LEU 98 1HD2 LEU 98 -4.621 1.623 -5.765 747 HD23 LEU 98 2HD2 LEU 98 -4.185 2.574 -4.344 748 H ILE 99 H ILE 99 -3.313 0.299 -9.413 749 HA ILE 99 HA ILE 99 -3.625 1.579 -12.111 750 HB ILE 99 HB ILE 99 -2.106 -0.965 -11.463 751 HG12 ILE 99 2HG1 ILE 99 -1.076 1.688 -12.518 752 HG13 ILE 99 3HG1 ILE 99 -1.006 1.232 -10.816 753 HG21 ILE 99 1HG2 ILE 99 -3.185 -1.091 -13.639 754 HG22 ILE 99 2HG2 ILE 99 -1.472 -0.771 -13.892 755 HG23 ILE 99 3HG2 ILE 99 -2.646 0.536 -14.043 756 HD11 ILE 99 3HD1 ILE 99 0.290 -0.797 -11.434 757 HD12 ILE 99 1HD1 ILE 99 1.119 0.688 -11.902 758 HD13 ILE 99 2HD1 ILE 99 0.273 -0.271 -13.117 759 H GLU 100 H GLU 100 -5.415 0.959 -13.131 760 HA GLU 100 HA GLU 100 -7.188 -1.030 -11.925 761 HB2 GLU 100 2HB GLU 100 -7.409 0.689 -14.407 762 HB3 GLU 100 3HB GLU 100 -8.678 -0.410 -13.867 763 HG2 GLU 100 2HG GLU 100 -8.821 0.771 -11.723 764 HG3 GLU 100 3HG GLU 100 -7.510 1.845 -12.212 765 H GLN 101 H GLN 101 -7.451 -3.089 -12.571 766 HA GLN 101 HA GLN 101 -6.492 -3.956 -15.239 767 HB2 GLN 101 2HB GLN 101 -5.482 -5.067 -12.609 768 HB3 GLN 101 3HB GLN 101 -5.312 -5.919 -14.144 769 HG2 GLN 101 2HG GLN 101 -4.123 -3.932 -15.073 770 HG3 GLN 101 3HG GLN 101 -4.226 -3.166 -13.488 771 HE21 GLN 101 1HE2 GLN 101 -1.685 -3.367 -14.072 772 HE22 GLN 101 2HE2 GLN 101 -0.928 -4.734 -13.412 773 H GLY 102 H GLY 102 -8.311 -4.804 -16.009 774 HA2 GLY 102 2HA GLY 102 -10.420 -5.872 -16.040 775 HA3 GLY 102 3HA GLY 102 -9.446 -7.205 -15.436 776 H GLY 103 H GLY 103 -10.609 -8.131 -13.876 777 HA2 GLY 103 2HA GLY 103 -12.464 -6.704 -12.181 778 HA3 GLY 103 3HA GLY 103 -11.980 -8.386 -11.994 779 H GLY 104 H GLY 104 -12.208 -5.987 -10.120 780 HA2 GLY 104 2HA GLY 104 -11.171 -5.509 -8.068 781 HA3 GLY 104 3HA GLY 104 -9.929 -6.694 -8.462 782 H THR 105 H THR 105 -8.831 -4.676 -7.332 783 HA THR 105 HA THR 105 -7.754 -2.925 -9.521 784 HB THR 105 HB THR 105 -8.227 -2.168 -6.625 785 HG1 THR 105 HG1 THR 105 -9.784 -0.805 -7.539 786 HG21 THR 105 3HG2 THR 105 -7.086 -0.660 -8.992 787 HG22 THR 105 1HG2 THR 105 -6.247 -1.075 -7.496 788 HG23 THR 105 2HG2 THR 105 -7.560 0.101 -7.474 789 H LEU 106 H LEU 106 -5.610 -3.006 -9.737 790 HA LEU 106 HA LEU 106 -4.070 -4.751 -7.953 791 HB2 LEU 106 2HB LEU 106 -3.686 -4.895 -10.361 792 HB3 LEU 106 3HB LEU 106 -3.287 -3.180 -10.429 793 HG LEU 106 HG LEU 106 -1.318 -3.550 -9.013 794 HD11 LEU 106 1HD1 LEU 106 -2.486 -6.320 -8.812 795 HD12 LEU 106 2HD1 LEU 106 -1.845 -5.286 -7.536 796 HD13 LEU 106 3HD1 LEU 106 -0.743 -6.094 -8.649 797 HD21 LEU 106 3HD2 LEU 106 -1.039 -3.838 -11.431 798 HD22 LEU 106 1HD2 LEU 106 -1.513 -5.532 -11.301 799 HD23 LEU 106 2HD2 LEU 106 -0.010 -4.978 -10.565 800 H LEU 107 H LEU 107 -2.838 -4.048 -6.314 801 HA LEU 107 HA LEU 107 -2.319 -1.102 -6.073 802 HB2 LEU 107 2HB LEU 107 -3.771 -2.036 -4.334 803 HB3 LEU 107 3HB LEU 107 -2.542 -3.235 -3.939 804 HG LEU 107 HG LEU 107 -1.549 -0.424 -3.931 805 HD11 LEU 107 1HD1 LEU 107 -3.567 -1.356 -1.873 806 HD12 LEU 107 2HD1 LEU 107 -3.754 -0.007 -2.992 807 HD13 LEU 107 3HD1 LEU 107 -2.546 0.073 -1.710 808 HD21 LEU 107 3HD2 LEU 107 -0.401 -2.626 -3.122 809 HD22 LEU 107 1HD2 LEU 107 -1.398 -2.438 -1.681 810 HD23 LEU 107 2HD2 LEU 107 -0.238 -1.184 -2.122 811 H ARG 108 H ARG 108 -0.263 -0.487 -6.184 812 HA ARG 108 HA ARG 108 1.901 -2.537 -5.822 813 HB2 ARG 108 2HB ARG 108 1.734 -1.589 -8.109 814 HB3 ARG 108 3HB ARG 108 1.954 0.028 -7.437 815 HG2 ARG 108 2HG ARG 108 4.152 -0.576 -6.582 816 HG3 ARG 108 3HG ARG 108 3.928 -2.248 -7.096 817 HD2 ARG 108 2HD ARG 108 3.913 0.116 -8.994 818 HD3 ARG 108 3HD ARG 108 5.330 -0.885 -8.677 819 HE ARG 108 HE ARG 108 3.216 -2.624 -9.404 820 HH11 ARG 108 1HH2 ARG 108 5.146 -0.080 -10.721 821 HH12 ARG 108 2HH2 ARG 108 5.051 -0.680 -12.342 822 HH21 ARG 108 1HH1 ARG 108 3.090 -3.409 -11.507 823 HH22 ARG 108 2HH1 ARG 108 3.890 -2.561 -12.788 824 H LEU 109 H LEU 109 3.325 -2.178 -4.230 825 HA LEU 109 HA LEU 109 3.271 0.477 -2.830 826 HB2 LEU 109 2HB LEU 109 2.436 -1.611 -1.595 827 HB3 LEU 109 3HB LEU 109 4.109 -2.167 -1.636 828 HG LEU 109 HG LEU 109 4.589 0.290 -0.680 829 HD11 LEU 109 1HD1 LEU 109 1.898 -0.247 0.576 830 HD12 LEU 109 2HD1 LEU 109 2.035 0.734 -0.880 831 HD13 LEU 109 3HD1 LEU 109 2.853 1.237 0.598 832 HD21 LEU 109 3HD2 LEU 109 4.426 -0.657 1.623 833 HD22 LEU 109 1HD2 LEU 109 5.192 -1.770 0.490 834 HD23 LEU 109 2HD2 LEU 109 3.514 -2.019 0.971 835 H THR 110 H THR 110 5.135 1.573 -2.856 836 HA THR 110 HA THR 110 7.675 0.116 -3.527 837 HB THR 110 HB THR 110 6.860 2.936 -4.281 838 HG1 THR 110 HG1 THR 110 5.826 1.528 -5.606 839 HG21 THR 110 3HG2 THR 110 9.356 1.303 -4.795 840 HG22 THR 110 1HG2 THR 110 9.244 2.819 -3.903 841 HG23 THR 110 2HG2 THR 110 8.974 2.800 -5.646 842 H HIS 111 H HIS 111 9.239 0.313 -2.061 843 HA HIS 111 HA HIS 111 9.200 2.619 -0.151 844 HB2 HIS 111 2HB HIS 111 8.269 0.518 0.897 845 HB3 HIS 111 3HB HIS 111 9.836 -0.242 0.617 846 HD1 HIS 111 HD1 HIS 111 8.092 1.418 3.203 847 HD2 HIS 111 HD2 HIS 111 11.991 1.705 1.759 848 HE1 HIS 111 HE1 HIS 111 9.459 2.500 5.040 849 H SER 112 H SER 112 11.144 3.591 -0.043 850 HA SER 112 HA SER 112 13.602 2.039 -0.730 851 HB2 SER 112 2HB SER 112 12.856 4.733 -1.898 852 HB3 SER 112 3HB SER 112 14.406 3.926 -2.112 853 HG SER 112 HG SER 112 11.894 3.331 -3.173 854 H GLY 113 H GLY 113 15.527 2.964 0.115 855 HA2 GLY 113 2HA GLY 113 16.803 4.426 1.502 856 HA3 GLY 113 3HA GLY 113 15.318 5.255 1.979 857 H LEU 114 H LEU 114 16.560 1.905 2.143 858 HA LEU 114 HA LEU 114 15.256 1.534 4.741 859 HB2 LEU 114 2HB LEU 114 17.063 -0.380 3.267 860 HB3 LEU 114 3HB LEU 114 15.951 -0.758 4.584 861 HG LEU 114 HG LEU 114 15.130 0.356 1.886 862 HD11 LEU 114 1HD1 LEU 114 14.042 -1.958 1.726 863 HD12 LEU 114 2HD1 LEU 114 15.081 -2.422 3.074 864 HD13 LEU 114 3HD1 LEU 114 15.795 -1.903 1.545 865 HD21 LEU 114 3HD2 LEU 114 12.829 -0.443 2.825 866 HD22 LEU 114 1HD2 LEU 114 13.482 1.075 3.433 867 HD23 LEU 114 2HD2 LEU 114 13.621 -0.393 4.400 868 HA PRO 115 HA PRO 115 18.910 3.204 6.881 869 HB2 PRO 115 2HB PRO 115 17.653 1.642 9.118 870 HB3 PRO 115 3HB PRO 115 18.229 3.320 9.105 871 HG2 PRO 115 2HG PRO 115 15.625 2.734 9.000 872 HG3 PRO 115 3HG PRO 115 16.306 4.113 8.118 873 HD2 PRO 115 2HD PRO 115 15.357 1.490 7.064 874 HD3 PRO 115 3HD PRO 115 15.396 3.086 6.286 875 H SER 116 H SER 116 17.820 -0.163 7.116 876 HA SER 116 HA SER 116 20.621 -1.074 6.858 877 HB2 SER 116 2HB SER 116 20.323 -0.909 9.293 878 HB3 SER 116 3HB SER 116 18.867 -1.891 9.192 879 HG SER 116 HG SER 116 20.158 -3.582 8.375 880 H ALA 117 H ALA 117 20.754 -3.299 6.233 881 HA ALA 117 HA ALA 117 18.715 -4.163 4.428 882 HB1 ALA 117 3HB ALA 117 20.045 -6.210 4.229 883 HB2 ALA 117 1HB ALA 117 20.902 -5.819 5.721 884 HB3 ALA 117 2HB ALA 117 21.125 -4.816 4.289 885 H GLU 118 H GLU 118 19.366 -4.927 7.804 886 HA GLU 118 HA GLU 118 17.778 -7.230 8.136 887 HB2 GLU 118 2HB GLU 118 19.208 -6.145 9.911 888 HB3 GLU 118 3HB GLU 118 17.955 -4.919 10.090 889 HG2 GLU 118 2HG GLU 118 17.572 -6.586 11.791 890 HG3 GLU 118 3HG GLU 118 16.317 -6.790 10.569 891 H GLN 119 H GLN 119 16.798 -3.816 8.132 892 HA GLN 119 HA GLN 119 14.032 -4.297 8.753 893 HB2 GLN 119 2HB GLN 119 15.424 -2.022 7.321 894 HB3 GLN 119 3HB GLN 119 13.704 -2.007 7.711 895 HG2 GLN 119 2HG GLN 119 14.257 -2.321 10.105 896 HG3 GLN 119 3HG GLN 119 15.973 -2.289 9.702 897 HE21 GLN 119 1HE2 GLN 119 16.690 -0.283 10.487 898 HE22 GLN 119 2HE2 GLN 119 15.957 1.204 10.127 899 H CYS 120 H CYS 120 15.875 -4.365 5.766 900 HA CYS 120 HA CYS 120 13.718 -4.255 3.911 901 HB2 CYS 120 2HB CYS 120 16.376 -4.355 3.612 902 HB3 CYS 120 3HB CYS 120 16.042 -6.063 3.342 903 HG CYS 120 HG CYS 120 14.637 -5.468 1.281 904 H ALA 121 H ALA 121 15.285 -7.081 5.422 905 HA ALA 121 HA ALA 121 13.572 -9.039 4.211 906 HB1 ALA 121 3HB ALA 121 14.361 -10.507 6.091 907 HB2 ALA 121 1HB ALA 121 15.129 -9.094 6.811 908 HB3 ALA 121 2HB ALA 121 15.680 -9.692 5.246 909 H GLY 122 H GLY 122 13.425 -7.377 7.345 910 HA2 GLY 122 2HA GLY 122 11.059 -8.693 8.298 911 HA3 GLY 122 3HA GLY 122 11.676 -7.150 8.886 912 H HIS 123 H HIS 123 11.577 -5.800 6.346 913 HA HIS 123 HA HIS 123 8.879 -4.831 6.410 914 HB2 HIS 123 2HB HIS 123 11.126 -4.522 4.411 915 HB3 HIS 123 3HB HIS 123 9.572 -3.712 4.218 916 HD1 HIS 123 HD1 HIS 123 11.400 -1.586 4.508 917 HD2 HIS 123 HD2 HIS 123 10.346 -3.752 7.910 918 HE1 HIS 123 HE1 HIS 123 11.985 -0.128 6.495 919 H GLU 124 H GLU 124 10.573 -6.978 4.128 920 HA GLU 124 HA GLU 124 8.468 -7.362 2.270 921 HB2 GLU 124 2HB GLU 124 10.806 -9.009 3.190 922 HB3 GLU 124 3HB GLU 124 9.614 -9.772 2.142 923 HG2 GLU 124 2HG GLU 124 10.851 -7.103 1.450 924 HG3 GLU 124 3HG GLU 124 11.622 -8.624 1.000 925 H GLU 125 H GLU 125 9.204 -9.195 5.235 926 HA GLU 125 HA GLU 125 6.915 -10.942 5.012 927 HB2 GLU 125 2HB GLU 125 8.572 -10.112 7.414 928 HB3 GLU 125 3HB GLU 125 7.397 -11.426 7.422 929 HG2 GLU 125 2HG GLU 125 9.802 -11.280 5.578 930 HG3 GLU 125 3HG GLU 125 9.740 -12.224 7.065 931 H GLY 126 H GLY 126 7.493 -7.840 6.589 932 HA2 GLY 126 2HA GLY 126 5.008 -7.711 8.034 933 HA3 GLY 126 3HA GLY 126 6.031 -6.335 7.630 934 H TRP 127 H TRP 127 6.006 -6.314 4.914 935 HA TRP 127 HA TRP 127 3.503 -5.105 4.300 936 HB2 TRP 127 2HB TRP 127 5.770 -6.073 2.558 937 HB3 TRP 127 3HB TRP 127 4.355 -5.257 1.893 938 HD1 TRP 127 HD1 TRP 127 7.695 -4.492 3.035 939 HE1 TRP 127 HE1 TRP 127 7.935 -2.020 3.726 940 HE3 TRP 127 HE3 TRP 127 2.764 -3.164 3.321 941 HZ2 TRP 127 HZ2 TRP 127 6.262 0.219 4.321 942 HZ3 TRP 127 HZ3 TRP 127 2.122 -0.863 3.954 943 HH2 TRP 127 HH2 TRP 127 3.861 0.832 4.452 944 H ALA 128 H ALA 128 4.762 -8.338 3.652 945 HA ALA 128 HA ALA 128 2.733 -9.254 1.894 946 HB1 ALA 128 3HB ALA 128 3.430 -11.478 2.501 947 HB2 ALA 128 1HB ALA 128 4.064 -10.915 4.046 948 HB3 ALA 128 2HB ALA 128 4.873 -10.463 2.546 949 H HIS 129 H HIS 129 2.895 -9.481 5.454 950 HA HIS 129 HA HIS 129 0.266 -10.652 5.715 951 HB2 HIS 129 2HB HIS 129 2.093 -9.229 7.656 952 HB3 HIS 129 3HB HIS 129 0.532 -9.890 8.137 953 HD1 HIS 129 HD1 HIS 129 3.926 -10.949 6.861 954 HD2 HIS 129 HD2 HIS 129 0.455 -12.697 8.366 955 HE1 HIS 129 HE1 HIS 129 4.467 -13.393 7.254 956 H TYR 130 H TYR 130 1.486 -7.322 6.004 957 HA TYR 130 HA TYR 130 -0.984 -6.114 6.795 958 HB2 TYR 130 2HB TYR 130 1.510 -5.110 5.452 959 HB3 TYR 130 3HB TYR 130 0.120 -4.043 5.582 960 HD1 TYR 130 HD1 TYR 130 1.548 -6.614 7.941 961 HD2 TYR 130 HD2 TYR 130 0.540 -2.491 7.275 962 HE1 TYR 130 HE1 TYR 130 2.153 -6.087 10.280 963 HE2 TYR 130 HE2 TYR 130 1.146 -1.967 9.618 964 HH TYR 130 HH TYR 130 2.247 -4.524 11.846 965 H LEU 131 H LEU 131 0.438 -6.645 3.586 966 HA LEU 131 HA LEU 131 -1.630 -5.368 2.084 967 HB2 LEU 131 2HB LEU 131 0.314 -7.586 1.420 968 HB3 LEU 131 3HB LEU 131 -0.793 -6.921 0.223 969 HG LEU 131 HG LEU 131 1.071 -5.169 1.844 970 HD11 LEU 131 1HD1 LEU 131 2.441 -6.814 0.629 971 HD12 LEU 131 2HD1 LEU 131 2.606 -5.213 -0.090 972 HD13 LEU 131 3HD1 LEU 131 1.592 -6.427 -0.868 973 HD21 LEU 131 3HD2 LEU 131 0.767 -3.779 -0.357 974 HD22 LEU 131 1HD2 LEU 131 -0.561 -3.810 0.797 975 HD23 LEU 131 2HD2 LEU 131 -0.622 -4.824 -0.642 976 H GLY 132 H GLY 132 -1.244 -8.692 3.211 977 HA2 GLY 132 2HA GLY 132 -3.526 -9.786 1.879 978 HA3 GLY 132 3HA GLY 132 -2.783 -10.453 3.332 979 H ARG 133 H ARG 133 -3.151 -8.244 5.050 980 HA ARG 133 HA ARG 133 -5.855 -8.682 5.930 981 HB2 ARG 133 2HB ARG 133 -3.986 -8.062 7.459 982 HB3 ARG 133 3HB ARG 133 -3.948 -6.460 6.721 983 HG2 ARG 133 2HG ARG 133 -6.200 -5.989 7.463 984 HG3 ARG 133 3HG ARG 133 -6.409 -7.643 8.034 985 HD2 ARG 133 2HD ARG 133 -5.921 -6.190 9.936 986 HD3 ARG 133 3HD ARG 133 -4.559 -7.275 9.671 987 HE ARG 133 HE ARG 133 -4.160 -4.811 8.240 988 HH11 ARG 133 1HH2 ARG 133 -4.150 -6.239 11.387 989 HH12 ARG 133 2HH2 ARG 133 -2.994 -5.120 12.028 990 HH21 ARG 133 1HH1 ARG 133 -2.657 -3.355 9.067 991 HH22 ARG 133 2HH1 ARG 133 -2.150 -3.493 10.717 992 H LEU 134 H LEU 134 -4.286 -6.074 4.139 993 HA LEU 134 HA LEU 134 -6.438 -4.221 4.160 994 HB2 LEU 134 2HB LEU 134 -4.182 -3.627 3.359 995 HB3 LEU 134 3HB LEU 134 -4.366 -4.731 1.999 996 HG LEU 134 HG LEU 134 -6.233 -3.395 1.127 997 HD11 LEU 134 1HD1 LEU 134 -6.485 -1.059 2.333 998 HD12 LEU 134 2HD1 LEU 134 -5.860 -1.933 3.732 999 HD13 LEU 134 3HD1 LEU 134 -7.349 -2.463 2.953 1000 HD21 LEU 134 3HD2 LEU 134 -3.819 -2.805 0.609 1001 HD22 LEU 134 1HD2 LEU 134 -3.943 -1.543 1.836 1002 HD23 LEU 134 2HD2 LEU 134 -4.972 -1.485 0.404 1003 H THR 135 H THR 135 -5.712 -6.907 1.967 1004 HA THR 135 HA THR 135 -7.793 -6.434 0.078 1005 HB THR 135 HB THR 135 -6.560 -9.048 0.989 1006 HG1 THR 135 HG1 THR 135 -5.069 -7.619 0.103 1007 HG21 THR 135 3HG2 THR 135 -8.552 -9.643 -0.135 1008 HG22 THR 135 1HG2 THR 135 -7.303 -9.742 -1.377 1009 HG23 THR 135 2HG2 THR 135 -8.376 -8.343 -1.314 1010 H GLU 136 H GLU 136 -7.760 -8.307 3.096 1011 HA GLU 136 HA GLU 136 -10.374 -9.402 2.936 1012 HB2 GLU 136 2HB GLU 136 -8.684 -10.023 4.665 1013 HB3 GLU 136 3HB GLU 136 -8.915 -8.446 5.420 1014 HG2 GLU 136 2HG GLU 136 -11.284 -8.961 5.819 1015 HG3 GLU 136 3HG GLU 136 -11.092 -10.518 5.020 1016 H VAL 137 H VAL 137 -9.274 -6.308 4.298 1017 HA VAL 137 HA VAL 137 -11.867 -5.415 5.160 1018 HB VAL 137 HB VAL 137 -9.356 -3.887 4.426 1019 HG11 VAL 137 1HG1 VAL 137 -11.971 -2.986 5.649 1020 HG12 VAL 137 2HG1 VAL 137 -11.138 -2.313 4.248 1021 HG13 VAL 137 3HG1 VAL 137 -10.471 -2.082 5.863 1022 HG21 VAL 137 3HG2 VAL 137 -10.532 -4.489 7.149 1023 HG22 VAL 137 1HG2 VAL 137 -8.930 -3.848 6.786 1024 HG23 VAL 137 2HG2 VAL 137 -9.323 -5.518 6.381 1025 H ALA 138 H ALA 138 -10.013 -4.868 2.185 1026 HA ALA 138 HA ALA 138 -11.836 -3.053 0.950 1027 HB1 ALA 138 3HB ALA 138 -9.435 -3.686 0.245 1028 HB2 ALA 138 1HB ALA 138 -10.607 -3.423 -1.046 1029 HB3 ALA 138 2HB ALA 138 -10.173 -5.065 -0.569 1030 H ALA 139 H ALA 139 -11.745 -6.584 1.039 1031 HA ALA 139 HA ALA 139 -13.919 -6.863 -0.901 1032 HB1 ALA 139 3HB ALA 139 -12.087 -8.579 -0.482 1033 HB2 ALA 139 1HB ALA 139 -13.728 -9.225 -0.494 1034 HB3 ALA 139 2HB ALA 139 -12.897 -8.951 1.038 1035 H GLY 140 H GLY 140 -13.801 -5.873 2.262 1036 HA2 GLY 140 2HA GLY 140 -15.544 -5.395 3.765 1037 HA3 GLY 140 3HA GLY 140 -16.679 -6.025 2.576 1038 H ARG 141 H ARG 141 -15.570 -6.518 5.623 1039 HA ARG 141 HA ARG 141 -16.864 -9.077 5.867 1040 HB2 ARG 141 2HB ARG 141 -14.536 -9.588 4.796 1041 HB3 ARG 141 3HB ARG 141 -13.892 -9.236 6.400 1042 HG2 ARG 141 2HG ARG 141 -15.565 -10.916 7.325 1043 HG3 ARG 141 3HG ARG 141 -15.926 -11.355 5.659 1044 HD2 ARG 141 2HD ARG 141 -13.153 -11.442 6.868 1045 HD3 ARG 141 3HD ARG 141 -14.217 -12.840 6.718 1046 HE ARG 141 HE ARG 141 -14.011 -11.644 4.156 1047 HH11 ARG 141 1HH2 ARG 141 -12.075 -13.248 6.521 1048 HH12 ARG 141 2HH2 ARG 141 -10.986 -13.922 5.355 1049 HH21 ARG 141 1HH1 ARG 141 -12.604 -12.511 2.634 1050 HH22 ARG 141 2HH1 ARG 141 -11.285 -13.506 3.158 1051 H ASP 142 H ASP 142 -14.613 -9.574 8.024 1052 HA ASP 142 HA ASP 142 -15.286 -7.472 9.996 1053 HB2 ASP 142 2HB ASP 142 -15.847 -10.423 10.431 1054 HB3 ASP 142 3HB ASP 142 -16.013 -9.160 11.651 1055 HA PRO 143 HA PRO 143 -10.831 -8.924 9.916 1056 HB2 PRO 143 2HB PRO 143 -10.649 -6.184 11.123 1057 HB3 PRO 143 3HB PRO 143 -9.616 -6.947 9.896 1058 HG2 PRO 143 2HG PRO 143 -11.423 -5.111 9.224 1059 HG3 PRO 143 3HG PRO 143 -11.102 -6.512 8.183 1060 HD2 PRO 143 2HD PRO 143 -13.454 -5.991 9.965 1061 HD3 PRO 143 3HD PRO 143 -13.382 -6.868 8.421 1062 H GLY 144 H GLY 144 -9.207 -8.428 11.905 1063 HA2 GLY 144 2HA GLY 144 -9.974 -9.999 14.051 1064 HA3 GLY 144 3HA GLY 144 -8.725 -8.764 14.176 1065 HA PRO 145 HA PRO 145 -12.450 -7.879 17.003 1066 HB2 PRO 145 2HB PRO 145 -10.166 -7.391 18.880 1067 HB3 PRO 145 3HB PRO 145 -11.698 -8.236 19.169 1068 HG2 PRO 145 2HG PRO 145 -9.404 -9.575 18.890 1069 HG3 PRO 145 3HG PRO 145 -10.934 -10.213 18.258 1070 HD2 PRO 145 2HD PRO 145 -8.663 -8.943 16.768 1071 HD3 PRO 145 3HD PRO 145 -9.736 -10.271 16.277 1072 H ASP 146 H ASP 146 -9.296 -6.295 16.658 1073 HA ASP 146 HA ASP 146 -10.229 -3.847 15.687 1074 HB2 ASP 146 2HB ASP 146 -10.797 -4.109 18.511 1075 HB3 ASP 146 3HB ASP 146 -9.552 -2.883 18.328 1076 HA PRO 147 HA PRO 147 -5.747 -3.360 17.185 1077 HB2 PRO 147 2HB PRO 147 -4.642 -5.147 18.899 1078 HB3 PRO 147 3HB PRO 147 -5.679 -3.819 19.456 1079 HG2 PRO 147 2HG PRO 147 -6.303 -6.709 19.171 1080 HG3 PRO 147 3HG PRO 147 -6.909 -5.533 20.349 1081 HD2 PRO 147 2HD PRO 147 -8.258 -6.403 18.024 1082 HD3 PRO 147 3HD PRO 147 -8.710 -5.008 19.023 1083 H PHE 148 H PHE 148 -3.535 -4.539 16.913 1084 HA PHE 148 HA PHE 148 -3.646 -6.052 14.454 1085 HB2 PHE 148 2HB PHE 148 -1.311 -5.520 16.312 1086 HB3 PHE 148 3HB PHE 148 -1.193 -6.122 14.660 1087 HD1 PHE 148 HD1 PHE 148 -2.208 -3.217 16.746 1088 HD2 PHE 148 HD2 PHE 148 -1.414 -4.658 12.778 1089 HE1 PHE 148 HE1 PHE 148 -2.263 -0.890 15.889 1090 HE2 PHE 148 HE2 PHE 148 -1.472 -2.332 11.921 1091 HZ PHE 148 HZ PHE 148 -1.898 -0.448 13.475 1092 H TYR 149 H TYR 149 -3.236 -8.192 14.112 1093 HA TYR 149 HA TYR 149 -3.376 -10.477 14.572 1094 HB2 TYR 149 2HB TYR 149 -1.442 -9.613 16.743 1095 HB3 TYR 149 3HB TYR 149 -1.712 -11.281 16.234 1096 HD1 TYR 149 HD2 TYR 149 -1.246 -11.937 13.833 1097 HD2 TYR 149 HD1 TYR 149 -0.047 -8.151 15.472 1098 HE1 TYR 149 HE2 TYR 149 0.355 -11.635 11.963 1099 HE2 TYR 149 HE1 TYR 149 1.553 -7.850 13.602 1100 HH TYR 149 HH TYR 149 2.814 -9.855 11.922 1101 H GLY 150 H GLY 150 -5.446 -10.866 15.215 1102 HA2 GLY 150 2HA GLY 150 -6.240 -10.389 18.039 1103 HA3 GLY 150 3HA GLY 150 -7.316 -10.856 16.722 1104 H ARG 151 H ARG 151 -4.850 -12.836 16.178 1105 HA ARG 151 HA ARG 151 -6.164 -15.174 17.201 1106 HB2 ARG 151 2HB ARG 151 -3.286 -14.804 16.314 1107 HB3 ARG 151 3HB ARG 151 -4.097 -16.357 16.509 1108 HG2 ARG 151 2HG ARG 151 -5.226 -14.233 14.683 1109 HG3 ARG 151 3HG ARG 151 -3.975 -15.341 14.122 1110 HD2 ARG 151 2HD ARG 151 -5.424 -17.260 14.793 1111 HD3 ARG 151 3HD ARG 151 -6.696 -16.122 15.219 1112 HE ARG 151 HE ARG 151 -5.799 -16.777 12.484 1113 HH11 ARG 151 1HH2 ARG 151 -7.676 -14.795 14.618 1114 HH12 ARG 151 2HH2 ARG 151 -8.720 -14.226 13.362 1115 HH21 ARG 151 1HH1 ARG 151 -7.154 -16.039 10.861 1116 HH22 ARG 151 2HH1 ARG 151 -8.425 -14.925 11.240 1117 H ARG 152 H ARG 152 -3.349 -13.343 18.345 1118 HA ARG 152 HA ARG 152 -3.870 -14.069 21.093 1119 HB2 ARG 152 2HB ARG 152 -2.874 -16.202 20.318 1120 HB3 ARG 152 3HB ARG 152 -1.430 -15.329 19.805 1121 HG2 ARG 152 2HG ARG 152 -1.047 -14.583 22.129 1122 HG3 ARG 152 3HG ARG 152 -2.504 -15.433 22.645 1123 HD2 ARG 152 2HD ARG 152 -1.486 -17.565 21.800 1124 HD3 ARG 152 3HD ARG 152 -0.000 -16.675 21.470 1125 HE ARG 152 HE ARG 152 -0.892 -16.341 24.217 1126 HH11 ARG 152 1HH2 ARG 152 0.787 -18.376 21.983 1127 HH12 ARG 152 2HH2 ARG 152 1.743 -19.141 23.208 1128 HH21 ARG 152 1HH1 ARG 152 0.349 -17.334 25.810 1129 HH22 ARG 152 2HH1 ARG 152 1.496 -18.554 25.367 1130 H LEU 153 H LEU 153 -2.808 -12.690 22.467 1131 HA LEU 153 HA LEU 153 -1.431 -10.412 21.267 1132 HB2 LEU 153 2HB LEU 153 -2.261 -11.170 24.067 1133 HB3 LEU 153 3HB LEU 153 -1.206 -9.783 23.794 1134 HG LEU 153 HG LEU 153 -2.884 -8.843 22.224 1135 HD11 LEU 153 1HD1 LEU 153 -4.369 -11.354 23.014 1136 HD12 LEU 153 2HD1 LEU 153 -4.022 -10.751 21.394 1137 HD13 LEU 153 3HD1 LEU 153 -5.214 -9.933 22.402 1138 HD21 LEU 153 3HD2 LEU 153 -4.612 -8.322 23.965 1139 HD22 LEU 153 1HD2 LEU 153 -2.959 -8.123 24.546 1140 HD23 LEU 153 2HD2 LEU 153 -3.886 -9.554 24.998 1141 H GLU 154 H GLU 154 0.707 -9.845 21.515 1142 HA GLU 154 HA GLU 154 2.549 -11.978 22.545 1143 HB2 GLU 154 2HB GLU 154 2.900 -9.924 20.347 1144 HB3 GLU 154 3HB GLU 154 4.216 -10.923 20.968 1145 HG2 GLU 154 2HG GLU 154 2.998 -12.958 20.354 1146 HG3 GLU 154 3HG GLU 154 1.631 -11.995 19.797 1147 H HIS 155 H HIS 155 3.752 -11.442 24.253 1148 HA HIS 155 HA HIS 155 3.646 -8.713 25.339 1149 HB2 HIS 155 2HB HIS 155 3.466 -10.771 26.777 1150 HB3 HIS 155 3HB HIS 155 5.145 -11.134 26.378 1151 HD1 HIS 155 HD1 HIS 155 6.972 -9.718 27.492 1152 HD2 HIS 155 HD2 HIS 155 3.115 -8.433 28.418 1153 HE1 HIS 155 HE1 HIS 155 7.213 -8.005 29.343 1154 H HIS 156 H HIS 156 5.142 -9.425 22.804 1155 HA HIS 156 HA HIS 156 7.960 -9.318 23.254 1156 HB2 HIS 156 2HB HIS 156 6.959 -9.884 21.067 1157 HB3 HIS 156 3HB HIS 156 6.351 -8.235 20.921 1158 HD1 HIS 156 HD1 HIS 156 9.657 -10.100 21.207 1159 HD2 HIS 156 HD2 HIS 156 8.189 -6.435 19.868 1160 HE1 HIS 156 HE1 HIS 156 11.603 -8.906 20.109 1161 H HIS 157 H HIS 157 5.567 -6.727 22.769 1162 HA HIS 157 HA HIS 157 7.402 -4.847 24.162 1163 HB2 HIS 157 2HB HIS 157 6.799 -3.104 22.364 1164 HB3 HIS 157 3HB HIS 157 7.978 -4.332 21.906 1165 HD1 HIS 157 HD1 HIS 157 7.346 -4.216 19.393 1166 HD2 HIS 157 HD2 HIS 157 4.148 -5.253 21.860 1167 HE1 HIS 157 HE1 HIS 157 5.498 -5.031 17.867 1168 H HIS 158 H HIS 158 4.538 -6.276 24.085 1169 HA HIS 158 HA HIS 158 2.783 -3.948 24.497 1170 HB2 HIS 158 2HB HIS 158 1.947 -6.006 23.391 1171 HB3 HIS 158 3HB HIS 158 2.238 -6.904 24.878 1172 HD1 HIS 158 HD1 HIS 158 0.301 -3.810 23.775 1173 HD2 HIS 158 HD2 HIS 158 0.053 -6.894 26.568 1174 HE1 HIS 158 HE1 HIS 158 -1.912 -3.516 24.970 1175 H HIS 159 H HIS 159 2.428 -3.021 26.436 1176 HA HIS 159 HA HIS 159 2.891 -4.602 28.925 1177 HB2 HIS 159 2HB HIS 159 4.938 -3.225 28.324 1178 HB3 HIS 159 3HB HIS 159 3.943 -1.788 28.558 1179 HD1 HIS 159 HD1 HIS 159 4.734 -4.974 30.511 1180 HD2 HIS 159 HD2 HIS 159 4.012 -0.923 31.173 1181 HE1 HIS 159 HE1 HIS 159 4.987 -4.602 33.002 1182 H HIS 160 H HIS 160 1.376 -4.244 30.421 1183 HA HIS 160 HA HIS 160 -0.728 -3.553 31.218 1184 HB2 HIS 160 2HB HIS 160 0.886 -1.006 30.989 1185 HB3 HIS 160 3HB HIS 160 -0.696 -1.056 31.766 1186 HD1 HIS 160 HD1 HIS 160 -0.572 -3.667 33.306 1187 HD2 HIS 160 HD2 HIS 160 2.642 -1.015 33.141 1188 HE1 HIS 160 HE1 HIS 160 0.869 -4.160 35.329 Start of MODEL 13 1 H1 MET 1 1H MET 1 14.380 -2.868 -16.023 2 H2 MET 1 2H MET 1 14.910 -1.275 -15.768 3 H3 MET 1 3H MET 1 14.352 -2.205 -14.461 4 HA MET 1 HA MET 1 16.255 -3.453 -14.331 5 HB2 MET 1 2HB MET 1 16.125 -4.151 -16.732 6 HB3 MET 1 3HB MET 1 16.854 -2.611 -17.188 7 HG2 MET 1 2HG MET 1 18.870 -3.144 -15.918 8 HG3 MET 1 3HG MET 1 18.138 -4.639 -15.336 9 HE1 MET 1 3HE MET 1 19.653 -3.553 -19.483 10 HE2 MET 1 1HE MET 1 19.199 -2.499 -18.136 11 HE3 MET 1 2HE MET 1 17.959 -3.161 -19.197 12 H GLU 2 H GLU 2 16.044 -0.307 -15.831 13 HA GLU 2 HA GLU 2 18.672 0.620 -15.107 14 HB2 GLU 2 2HB GLU 2 16.103 2.105 -15.730 15 HB3 GLU 2 3HB GLU 2 17.656 2.902 -15.489 16 HG2 GLU 2 2HG GLU 2 17.603 2.643 -17.820 17 HG3 GLU 2 3HG GLU 2 18.515 1.221 -17.326 18 H LYS 3 H LYS 3 19.400 1.505 -13.252 19 HA LYS 3 HA LYS 3 17.960 1.129 -10.795 20 HB2 LYS 3 2HB LYS 3 20.419 2.777 -11.439 21 HB3 LYS 3 3HB LYS 3 19.842 2.459 -9.804 22 HG2 LYS 3 2HG LYS 3 20.078 0.029 -10.199 23 HG3 LYS 3 3HG LYS 3 20.673 0.357 -11.827 24 HD2 LYS 3 2HD LYS 3 22.571 1.624 -10.882 25 HD3 LYS 3 3HD LYS 3 21.980 1.292 -9.253 26 HE2 LYS 3 2HE LYS 3 22.237 -1.126 -9.641 27 HE3 LYS 3 3HE LYS 3 22.809 -0.808 -11.278 28 HZ1 LYS 3 3HZ LYS 3 24.660 0.437 -10.350 29 HZ2 LYS 3 1HZ LYS 3 24.650 -1.152 -9.757 30 HZ3 LYS 3 2HZ LYS 3 24.110 0.123 -8.774 31 H ALA 4 H ALA 4 19.340 4.255 -11.697 32 HA ALA 4 HA ALA 4 18.518 6.415 -11.212 33 HB1 ALA 4 3HB ALA 4 17.534 6.047 -13.407 34 HB2 ALA 4 1HB ALA 4 16.353 6.879 -12.396 35 HB3 ALA 4 2HB ALA 4 16.192 5.148 -12.700 36 H MET 5 H MET 5 17.964 4.217 -9.238 37 HA MET 5 HA MET 5 15.360 4.890 -8.110 38 HB2 MET 5 2HB MET 5 16.057 3.361 -6.260 39 HB3 MET 5 3HB MET 5 16.169 2.615 -7.854 40 HG2 MET 5 2HG MET 5 18.604 3.205 -7.904 41 HG3 MET 5 3HG MET 5 18.453 3.798 -6.249 42 HE1 MET 5 3HE MET 5 20.470 0.547 -5.985 43 HE2 MET 5 1HE MET 5 20.119 1.913 -4.920 44 HE3 MET 5 2HE MET 5 20.514 2.193 -6.613 45 HA PRO 6 HA PRO 6 16.348 8.415 -5.582 46 HB2 PRO 6 2HB PRO 6 15.435 6.724 -3.276 47 HB3 PRO 6 3HB PRO 6 14.970 8.381 -3.707 48 HG2 PRO 6 2HG PRO 6 13.406 6.222 -4.210 49 HG3 PRO 6 3HG PRO 6 13.393 7.684 -5.213 50 HD2 PRO 6 2HD PRO 6 14.416 5.001 -5.880 51 HD3 PRO 6 3HD PRO 6 14.066 6.368 -6.957 52 H GLU 7 H GLU 7 16.933 5.663 -3.427 53 HA GLU 7 HA GLU 7 19.788 5.726 -3.602 54 HB2 GLU 7 2HB GLU 7 19.506 7.922 -2.493 55 HB3 GLU 7 3HB GLU 7 18.595 7.147 -1.197 56 HG2 GLU 7 2HG GLU 7 20.526 5.812 -0.573 57 HG3 GLU 7 3HG GLU 7 21.430 6.425 -1.957 58 H SER 8 H SER 8 20.592 3.922 -2.647 59 HA SER 8 HA SER 8 20.730 2.003 -1.323 60 HB2 SER 8 2HB SER 8 19.667 3.605 0.443 61 HB3 SER 8 3HB SER 8 18.186 2.705 0.122 62 HG SER 8 HG SER 8 19.113 0.891 0.860 63 H PHE 9 H PHE 9 18.835 0.250 -0.424 64 HA PHE 9 HA PHE 9 17.906 -0.917 -2.915 65 HB2 PHE 9 2HB PHE 9 17.622 -1.711 -0.013 66 HB3 PHE 9 3HB PHE 9 16.899 -2.646 -1.322 67 HD1 PHE 9 HD2 PHE 9 18.349 -3.659 -3.086 68 HD2 PHE 9 HD1 PHE 9 19.991 -1.762 0.400 69 HE1 PHE 9 HE2 PHE 9 20.527 -4.761 -3.515 70 HE2 PHE 9 HE1 PHE 9 22.171 -2.865 -0.028 71 HZ PHE 9 HZ PHE 9 22.440 -4.364 -1.986 72 H VAL 10 H VAL 10 15.761 -1.303 -3.534 73 HA VAL 10 HA VAL 10 13.667 0.358 -2.163 74 HB VAL 10 HB VAL 10 14.167 -0.116 -5.114 75 HG11 VAL 10 1HG1 VAL 10 11.757 0.985 -3.656 76 HG12 VAL 10 2HG1 VAL 10 11.803 -0.289 -4.874 77 HG13 VAL 10 3HG1 VAL 10 12.095 1.386 -5.339 78 HG21 VAL 10 3HG2 VAL 10 14.134 2.420 -5.082 79 HG22 VAL 10 1HG2 VAL 10 15.489 1.689 -4.222 80 HG23 VAL 10 2HG2 VAL 10 14.114 2.328 -3.321 81 H VAL 11 H VAL 11 11.777 -0.704 -1.721 82 HA VAL 11 HA VAL 11 11.605 -3.579 -2.552 83 HB VAL 11 HB VAL 11 10.374 -2.072 -0.232 84 HG11 VAL 11 1HG1 VAL 11 9.928 -4.873 -1.285 85 HG12 VAL 11 2HG1 VAL 11 8.718 -3.651 -0.896 86 HG13 VAL 11 3HG1 VAL 11 9.610 -4.451 0.397 87 HG21 VAL 11 3HG2 VAL 11 12.746 -2.669 0.034 88 HG22 VAL 11 1HG2 VAL 11 12.387 -4.336 -0.415 89 HG23 VAL 11 2HG2 VAL 11 11.746 -3.670 1.087 90 H ARG 12 H ARG 12 10.006 -4.191 -3.857 91 HA ARG 12 HA ARG 12 7.733 -2.298 -4.387 92 HB2 ARG 12 2HB ARG 12 9.186 -4.174 -6.273 93 HB3 ARG 12 3HB ARG 12 7.703 -3.311 -6.684 94 HG2 ARG 12 2HG ARG 12 8.811 -1.165 -6.312 95 HG3 ARG 12 3HG ARG 12 10.283 -1.987 -5.795 96 HD2 ARG 12 2HD ARG 12 10.522 -1.293 -8.125 97 HD3 ARG 12 3HD ARG 12 10.436 -3.054 -8.049 98 HE ARG 12 HE ARG 12 7.807 -1.937 -8.437 99 HH11 ARG 12 1HH2 ARG 12 10.816 -2.596 -10.003 100 HH12 ARG 12 2HH2 ARG 12 10.111 -2.729 -11.578 101 HH21 ARG 12 1HH1 ARG 12 6.886 -2.105 -10.484 102 HH22 ARG 12 2HH1 ARG 12 7.892 -2.452 -11.850 103 H ARG 13 H ARG 13 5.712 -3.172 -4.309 104 HA ARG 13 HA ARG 13 5.412 -6.132 -4.103 105 HB2 ARG 13 2HB ARG 13 4.328 -4.084 -2.158 106 HB3 ARG 13 3HB ARG 13 3.769 -5.754 -2.225 107 HG2 ARG 13 2HG ARG 13 6.658 -4.933 -1.794 108 HG3 ARG 13 3HG ARG 13 5.550 -5.371 -0.497 109 HD2 ARG 13 2HD ARG 13 5.206 -7.564 -1.975 110 HD3 ARG 13 3HD ARG 13 6.797 -7.121 -2.595 111 HE ARG 13 HE ARG 13 7.086 -6.983 0.151 112 HH11 ARG 13 1HH2 ARG 13 5.993 -9.306 -2.159 113 HH12 ARG 13 2HH2 ARG 13 6.506 -10.669 -1.220 114 HH21 ARG 13 1HH1 ARG 13 7.748 -8.742 1.378 115 HH22 ARG 13 2HH1 ARG 13 7.498 -10.348 0.781 116 H GLU 14 H GLU 14 3.299 -6.878 -4.605 117 HA GLU 14 HA GLU 14 1.494 -4.883 -5.914 118 HB2 GLU 14 2HB GLU 14 2.528 -7.474 -7.095 119 HB3 GLU 14 3HB GLU 14 1.155 -6.583 -7.753 120 HG2 GLU 14 2HG GLU 14 2.567 -4.606 -8.081 121 HG3 GLU 14 3HG GLU 14 3.943 -5.452 -7.373 122 H ALA 15 H ALA 15 -0.695 -5.410 -5.769 123 HA ALA 15 HA ALA 15 -1.488 -8.016 -4.617 124 HB1 ALA 15 3HB ALA 15 -1.095 -6.855 -2.571 125 HB2 ALA 15 1HB ALA 15 -2.837 -6.770 -2.829 126 HB3 ALA 15 2HB ALA 15 -1.824 -5.372 -3.189 127 H HIS 16 H HIS 16 -3.727 -8.430 -4.884 128 HA HIS 16 HA HIS 16 -5.082 -6.629 -6.858 129 HB2 HIS 16 2HB HIS 16 -5.503 -9.566 -6.232 130 HB3 HIS 16 3HB HIS 16 -6.395 -8.647 -7.447 131 HD1 HIS 16 HD1 HIS 16 -4.776 -7.458 -9.325 132 HD2 HIS 16 HD2 HIS 16 -3.149 -10.659 -7.210 133 HE1 HIS 16 HE1 HIS 16 -2.781 -8.257 -10.662 134 H LEU 17 H LEU 17 -6.740 -5.470 -6.092 135 HA LEU 17 HA LEU 17 -8.151 -6.383 -3.604 136 HB2 LEU 17 2HB LEU 17 -7.789 -3.619 -4.782 137 HB3 LEU 17 3HB LEU 17 -8.743 -3.982 -3.344 138 HG LEU 17 HG LEU 17 -6.126 -5.210 -3.027 139 HD11 LEU 17 1HD1 LEU 17 -6.024 -2.245 -3.646 140 HD12 LEU 17 2HD1 LEU 17 -5.332 -3.524 -4.643 141 HD13 LEU 17 3HD1 LEU 17 -4.693 -3.224 -3.028 142 HD21 LEU 17 3HD2 LEU 17 -7.707 -4.471 -1.232 143 HD22 LEU 17 1HD2 LEU 17 -7.314 -2.798 -1.623 144 HD23 LEU 17 2HD2 LEU 17 -6.064 -3.875 -1.002 145 H ALA 18 H ALA 18 -10.220 -6.946 -3.835 146 HA ALA 18 HA ALA 18 -11.543 -6.597 -6.441 147 HB1 ALA 18 3HB ALA 18 -13.367 -7.947 -5.278 148 HB2 ALA 18 1HB ALA 18 -12.282 -8.045 -3.891 149 HB3 ALA 18 2HB ALA 18 -11.805 -8.749 -5.435 150 H ALA 19 H ALA 19 -11.598 -4.201 -6.151 151 HA ALA 19 HA ALA 19 -14.203 -3.341 -5.469 152 HB1 ALA 19 3HB ALA 19 -12.114 -2.896 -3.337 153 HB2 ALA 19 1HB ALA 19 -13.758 -3.510 -3.152 154 HB3 ALA 19 2HB ALA 19 -13.490 -1.806 -3.510 155 HA PRO 20 HA PRO 20 -13.091 0.025 -8.133 156 HB2 PRO 20 2HB PRO 20 -14.139 1.849 -5.996 157 HB3 PRO 20 3HB PRO 20 -14.533 1.808 -7.721 158 HG2 PRO 20 2HG PRO 20 -16.153 0.793 -5.792 159 HG3 PRO 20 3HG PRO 20 -16.112 0.186 -7.459 160 HD2 PRO 20 2HD PRO 20 -15.177 -1.138 -5.001 161 HD3 PRO 20 3HD PRO 20 -15.450 -1.828 -6.614 162 HA PRO 21 HA PRO 21 -9.190 1.607 -6.645 163 HB2 PRO 21 2HB PRO 21 -8.966 3.936 -8.116 164 HB3 PRO 21 3HB PRO 21 -8.706 2.320 -8.799 165 HG2 PRO 21 2HG PRO 21 -11.127 4.065 -8.943 166 HG3 PRO 21 3HG PRO 21 -10.393 3.055 -10.202 167 HD2 PRO 21 2HD PRO 21 -12.595 2.268 -8.828 168 HD3 PRO 21 3HD PRO 21 -11.388 1.106 -9.407 169 H ALA 22 H ALA 22 -11.931 3.825 -6.689 170 HA ALA 22 HA ALA 22 -10.787 5.805 -4.931 171 HB1 ALA 22 3HB ALA 22 -13.202 6.500 -4.637 172 HB2 ALA 22 1HB ALA 22 -13.649 5.117 -5.637 173 HB3 ALA 22 2HB ALA 22 -12.669 6.415 -6.318 174 H ALA 23 H ALA 23 -12.726 2.895 -4.420 175 HA ALA 23 HA ALA 23 -13.384 3.256 -1.690 176 HB1 ALA 23 3HB ALA 23 -14.133 1.386 -3.272 177 HB2 ALA 23 1HB ALA 23 -13.767 0.900 -1.617 178 HB3 ALA 23 2HB ALA 23 -12.598 0.602 -2.904 179 H VAL 24 H VAL 24 -10.530 1.660 -3.117 180 HA VAL 24 HA VAL 24 -9.228 1.102 -0.621 181 HB VAL 24 HB VAL 24 -8.118 1.469 -3.412 182 HG11 VAL 24 1HG1 VAL 24 -6.263 1.783 -1.967 183 HG12 VAL 24 2HG1 VAL 24 -6.200 0.076 -2.403 184 HG13 VAL 24 3HG1 VAL 24 -6.835 0.560 -0.831 185 HG21 VAL 24 3HG2 VAL 24 -9.643 -0.401 -3.281 186 HG22 VAL 24 1HG2 VAL 24 -8.919 -0.950 -1.769 187 HG23 VAL 24 2HG2 VAL 24 -8.006 -1.052 -3.274 188 H PHE 25 H PHE 25 -8.929 3.794 -2.909 189 HA PHE 25 HA PHE 25 -6.861 5.215 -1.550 190 HB2 PHE 25 2HB PHE 25 -7.595 5.747 -3.854 191 HB3 PHE 25 3HB PHE 25 -9.141 6.313 -3.225 192 HD1 PHE 25 HD1 PHE 25 -5.461 6.894 -3.048 193 HD2 PHE 25 HD2 PHE 25 -9.379 8.527 -2.398 194 HE1 PHE 25 HE1 PHE 25 -4.464 9.122 -2.628 195 HE2 PHE 25 HE2 PHE 25 -8.380 10.758 -1.975 196 HZ PHE 25 HZ PHE 25 -5.920 11.055 -2.090 197 H ALA 26 H ALA 26 -10.395 5.378 -1.250 198 HA ALA 26 HA ALA 26 -10.571 7.531 0.588 199 HB1 ALA 26 3HB ALA 26 -12.302 5.044 0.499 200 HB2 ALA 26 1HB ALA 26 -12.515 6.445 -0.549 201 HB3 ALA 26 2HB ALA 26 -12.754 6.602 1.192 202 H LEU 27 H LEU 27 -10.065 4.063 1.165 203 HA LEU 27 HA LEU 27 -10.165 4.168 4.026 204 HB2 LEU 27 2HB LEU 27 -8.734 2.319 2.109 205 HB3 LEU 27 3HB LEU 27 -8.763 2.048 3.849 206 HG LEU 27 HG LEU 27 -11.264 2.372 2.163 207 HD11 LEU 27 1HD1 LEU 27 -10.266 0.390 1.327 208 HD12 LEU 27 2HD1 LEU 27 -11.423 -0.168 2.530 209 HD13 LEU 27 3HD1 LEU 27 -9.705 -0.103 2.923 210 HD21 LEU 27 3HD2 LEU 27 -10.698 1.669 5.043 211 HD22 LEU 27 1HD2 LEU 27 -12.129 0.997 4.261 212 HD23 LEU 27 2HD2 LEU 27 -11.929 2.740 4.378 213 H MET 28 H MET 28 -7.459 4.492 1.756 214 HA MET 28 HA MET 28 -5.444 4.804 3.800 215 HB2 MET 28 2HB MET 28 -5.537 5.567 0.875 216 HB3 MET 28 3HB MET 28 -4.102 5.787 1.877 217 HG2 MET 28 2HG MET 28 -4.115 3.364 2.399 218 HG3 MET 28 3HG MET 28 -5.527 3.158 1.362 219 HE1 MET 28 3HE MET 28 -2.580 1.447 -0.379 220 HE2 MET 28 1HE MET 28 -4.317 1.461 -0.705 221 HE3 MET 28 2HE MET 28 -3.728 1.362 0.952 222 H THR 29 H THR 29 -7.435 7.073 1.956 223 HA THR 29 HA THR 29 -6.182 9.394 3.278 224 HB THR 29 HB THR 29 -8.622 9.412 1.492 225 HG1 THR 29 HG1 THR 29 -5.996 8.824 0.938 226 HG21 THR 29 3HG2 THR 29 -6.410 11.450 1.814 227 HG22 THR 29 1HG2 THR 29 -7.879 11.474 2.789 228 HG23 THR 29 2HG2 THR 29 -7.980 11.671 1.039 229 H ASP 30 H ASP 30 -7.153 7.894 5.245 230 HA ASP 30 HA ASP 30 -9.087 9.582 6.537 231 HB2 ASP 30 2HB ASP 30 -10.599 8.316 4.975 232 HB3 ASP 30 3HB ASP 30 -10.109 6.826 5.785 233 HA PRO 31 HA PRO 31 -6.090 7.250 9.237 234 HB2 PRO 31 2HB PRO 31 -7.068 9.444 11.037 235 HB3 PRO 31 3HB PRO 31 -5.410 8.869 10.764 236 HG2 PRO 31 2HG PRO 31 -6.260 11.146 9.695 237 HG3 PRO 31 3HG PRO 31 -5.185 10.061 8.794 238 HD2 PRO 31 2HD PRO 31 -8.120 10.530 8.434 239 HD3 PRO 31 3HD PRO 31 -6.883 10.149 7.216 240 H GLU 32 H GLU 32 -9.328 8.444 10.083 241 HA GLU 32 HA GLU 32 -9.687 6.804 12.403 242 HB2 GLU 32 2HB GLU 32 -11.100 8.778 11.845 243 HB3 GLU 32 3HB GLU 32 -11.807 7.860 10.514 244 HG2 GLU 32 2HG GLU 32 -12.667 6.190 12.068 245 HG3 GLU 32 3HG GLU 32 -11.874 6.996 13.419 246 H LYS 33 H LYS 33 -10.668 6.264 9.007 247 HA LYS 33 HA LYS 33 -11.904 3.710 9.496 248 HB2 LYS 33 2HB LYS 33 -10.693 4.915 6.997 249 HB3 LYS 33 3HB LYS 33 -11.567 3.385 7.012 250 HG2 LYS 33 2HG LYS 33 -13.558 4.539 7.924 251 HG3 LYS 33 3HG LYS 33 -12.682 6.069 7.882 252 HD2 LYS 33 2HD LYS 33 -12.458 5.915 5.452 253 HD3 LYS 33 3HD LYS 33 -13.237 4.334 5.458 254 HE2 LYS 33 2HE LYS 33 -14.861 6.060 4.835 255 HE3 LYS 33 3HE LYS 33 -15.288 5.363 6.398 256 HZ1 LYS 33 3HZ LYS 33 -13.540 7.707 6.364 257 HZ2 LYS 33 1HZ LYS 33 -14.705 7.244 7.507 258 HZ3 LYS 33 2HZ LYS 33 -15.189 7.943 6.035 259 H ILE 34 H ILE 34 -8.607 4.659 8.658 260 HA ILE 34 HA ILE 34 -7.516 2.099 8.133 261 HB ILE 34 HB ILE 34 -6.272 4.546 9.414 262 HG12 ILE 34 2HG1 ILE 34 -6.011 3.462 6.595 263 HG13 ILE 34 3HG1 ILE 34 -7.174 4.703 7.052 264 HG21 ILE 34 1HG2 ILE 34 -5.053 1.938 8.500 265 HG22 ILE 34 2HG2 ILE 34 -4.821 2.778 10.032 266 HG23 ILE 34 3HG2 ILE 34 -4.108 3.425 8.556 267 HD11 ILE 34 3HD1 ILE 34 -5.580 6.327 7.166 268 HD12 ILE 34 1HD1 ILE 34 -4.630 5.226 6.174 269 HD13 ILE 34 2HD1 ILE 34 -4.391 5.264 7.920 270 H LEU 35 H LEU 35 -8.487 3.534 11.173 271 HA LEU 35 HA LEU 35 -6.889 1.892 12.913 272 HB2 LEU 35 2HB LEU 35 -9.591 3.183 13.389 273 HB3 LEU 35 3HB LEU 35 -8.603 2.454 14.651 274 HG LEU 35 HG LEU 35 -7.742 4.768 12.887 275 HD11 LEU 35 1HD1 LEU 35 -9.518 5.427 14.466 276 HD12 LEU 35 2HD1 LEU 35 -7.972 6.127 14.947 277 HD13 LEU 35 3HD1 LEU 35 -8.603 4.717 15.796 278 HD21 LEU 35 3HD2 LEU 35 -6.388 3.163 15.045 279 HD22 LEU 35 1HD2 LEU 35 -5.992 4.874 14.886 280 HD23 LEU 35 2HD2 LEU 35 -5.721 3.779 13.536 281 H ARG 36 H ARG 36 -9.663 1.197 10.988 282 HA ARG 36 HA ARG 36 -10.749 -0.974 12.516 283 HB2 ARG 36 2HB ARG 36 -10.776 -0.362 9.558 284 HB3 ARG 36 3HB ARG 36 -11.622 -1.747 10.245 285 HG2 ARG 36 2HG ARG 36 -12.885 -0.224 11.731 286 HG3 ARG 36 3HG ARG 36 -12.046 1.153 11.011 287 HD2 ARG 36 2HD ARG 36 -12.966 0.572 8.803 288 HD3 ARG 36 3HD ARG 36 -13.801 -0.812 9.510 289 HE ARG 36 HE ARG 36 -14.579 2.011 9.794 290 HH11 ARG 36 1HH2 ARG 36 -14.820 -1.245 10.931 291 HH12 ARG 36 2HH2 ARG 36 -16.344 -0.993 11.710 292 HH21 ARG 36 1HH1 ARG 36 -16.563 2.343 10.802 293 HH22 ARG 36 2HH1 ARG 36 -17.331 1.035 11.638 294 H TRP 37 H TRP 37 -8.132 -0.811 10.142 295 HA TRP 37 HA TRP 37 -7.419 -3.640 10.862 296 HB2 TRP 37 2HB TRP 37 -6.510 -3.893 8.577 297 HB3 TRP 37 3HB TRP 37 -8.239 -3.569 8.565 298 HD1 TRP 37 HD1 TRP 37 -8.911 -0.888 8.139 299 HE1 TRP 37 HE1 TRP 37 -7.812 0.773 6.500 300 HE3 TRP 37 HE3 TRP 37 -4.421 -3.213 7.396 301 HZ2 TRP 37 HZ2 TRP 37 -5.357 1.073 5.061 302 HZ3 TRP 37 HZ3 TRP 37 -2.727 -2.221 5.884 303 HH2 TRP 37 HH2 TRP 37 -3.187 -0.084 4.716 304 H MET 38 H MET 38 -6.449 -1.722 12.433 305 HA MET 38 HA MET 38 -3.574 -1.868 11.904 306 HB2 MET 38 2HB MET 38 -4.295 0.233 10.698 307 HB3 MET 38 3HB MET 38 -4.855 0.858 12.249 308 HG2 MET 38 2HG MET 38 -2.619 1.712 11.886 309 HG3 MET 38 3HG MET 38 -2.528 0.497 13.157 310 HE1 MET 38 3HE MET 38 -1.069 0.405 8.876 311 HE2 MET 38 1HE MET 38 -2.323 1.404 9.619 312 HE3 MET 38 2HE MET 38 -2.710 -0.212 9.036 313 H GLY 39 H GLY 39 -5.526 0.370 13.886 314 HA2 GLY 39 2HA GLY 39 -5.342 -1.179 16.301 315 HA3 GLY 39 3HA GLY 39 -4.030 -0.001 16.253 316 H THR 40 H THR 40 -4.721 1.423 17.800 317 HA THR 40 HA THR 40 -7.392 2.740 17.413 318 HB THR 40 HB THR 40 -5.819 2.802 19.992 319 HG1 THR 40 HG1 THR 40 -6.595 0.604 18.879 320 HG21 THR 40 3HG2 THR 40 -7.740 4.301 19.783 321 HG22 THR 40 1HG2 THR 40 -8.105 3.021 20.940 322 HG23 THR 40 2HG2 THR 40 -8.769 2.949 19.306 323 H GLU 41 H GLU 41 -4.305 3.138 16.643 324 HA GLU 41 HA GLU 41 -4.436 6.101 16.890 325 HB2 GLU 41 2HB GLU 41 -2.091 4.363 17.706 326 HB3 GLU 41 3HB GLU 41 -1.964 6.100 17.431 327 HG2 GLU 41 2HG GLU 41 -3.671 6.509 19.155 328 HG3 GLU 41 3HG GLU 41 -3.822 4.773 19.425 329 H ALA 42 H ALA 42 -3.379 7.173 15.160 330 HA ALA 42 HA ALA 42 -1.927 5.568 13.159 331 HB1 ALA 42 3HB ALA 42 -4.185 5.146 12.417 332 HB2 ALA 42 1HB ALA 42 -3.485 6.340 11.323 333 HB3 ALA 42 2HB ALA 42 -4.611 6.851 12.580 334 H GLU 43 H GLU 43 -0.415 6.819 12.193 335 HA GLU 43 HA GLU 43 -0.553 9.777 12.629 336 HB2 GLU 43 2HB GLU 43 1.427 8.546 13.565 337 HB3 GLU 43 3HB GLU 43 1.849 8.067 11.922 338 HG2 GLU 43 2HG GLU 43 3.147 10.033 12.468 339 HG3 GLU 43 3HG GLU 43 1.910 10.520 11.311 340 H VAL 44 H VAL 44 -1.082 10.925 10.899 341 HA VAL 44 HA VAL 44 -0.173 10.062 8.195 342 HB VAL 44 HB VAL 44 -2.996 10.937 8.898 343 HG11 VAL 44 1HG1 VAL 44 -3.314 10.145 6.431 344 HG12 VAL 44 2HG1 VAL 44 -1.569 10.369 6.299 345 HG13 VAL 44 3HG1 VAL 44 -2.603 11.733 6.719 346 HG21 VAL 44 3HG2 VAL 44 -3.486 8.567 8.004 347 HG22 VAL 44 1HG2 VAL 44 -2.773 8.679 9.612 348 HG23 VAL 44 2HG2 VAL 44 -1.764 8.254 8.229 349 H GLU 45 H GLU 45 -0.320 12.357 10.572 350 HA GLU 45 HA GLU 45 -0.690 14.708 8.878 351 HB2 GLU 45 2HB GLU 45 0.153 14.295 11.748 352 HB3 GLU 45 3HB GLU 45 0.194 15.891 10.998 353 HG2 GLU 45 2HG GLU 45 -1.941 15.490 12.196 354 HG3 GLU 45 3HG GLU 45 -2.195 15.725 10.466 355 HA PRO 46 HA PRO 46 3.563 15.015 7.562 356 HB2 PRO 46 2HB PRO 46 3.788 17.722 7.179 357 HB3 PRO 46 3HB PRO 46 2.849 16.673 6.095 358 HG2 PRO 46 2HG PRO 46 1.888 18.423 8.322 359 HG3 PRO 46 3HG PRO 46 1.203 18.183 6.707 360 HD2 PRO 46 2HD PRO 46 0.197 16.935 8.912 361 HD3 PRO 46 3HD PRO 46 0.150 16.196 7.297 362 H GLU 47 H GLU 47 3.404 18.124 9.130 363 HA GLU 47 HA GLU 47 4.819 17.259 11.537 364 HB2 GLU 47 2HB GLU 47 6.251 18.381 9.200 365 HB3 GLU 47 3HB GLU 47 6.589 19.244 10.697 366 HG2 GLU 47 2HG GLU 47 7.179 17.110 11.783 367 HG3 GLU 47 3HG GLU 47 6.871 16.261 10.268 368 HA PRO 48 HA PRO 48 4.213 22.259 11.363 369 HB2 PRO 48 2HB PRO 48 1.892 21.917 9.491 370 HB3 PRO 48 3HB PRO 48 2.993 23.293 9.678 371 HG2 PRO 48 2HG PRO 48 3.199 21.372 7.701 372 HG3 PRO 48 3HG PRO 48 4.530 22.407 8.249 373 HD2 PRO 48 2HD PRO 48 4.285 19.547 8.569 374 HD3 PRO 48 3HD PRO 48 5.605 20.591 9.118 375 H GLY 49 H GLY 49 3.574 21.769 13.484 376 HA2 GLY 49 2HA GLY 49 2.101 21.399 15.271 377 HA3 GLY 49 3HA GLY 49 0.904 22.205 14.253 378 H GLY 50 H GLY 50 2.555 19.165 13.537 379 HA2 GLY 50 2HA GLY 50 0.261 17.532 14.296 380 HA3 GLY 50 3HA GLY 50 0.413 17.736 12.551 381 H LEU 51 H LEU 51 1.713 16.175 15.349 382 HA LEU 51 HA LEU 51 3.237 14.344 13.644 383 HB2 LEU 51 2HB LEU 51 4.914 16.113 13.993 384 HB3 LEU 51 3HB LEU 51 4.634 16.050 15.731 385 HG LEU 51 HG LEU 51 5.481 13.758 15.833 386 HD11 LEU 51 1HD1 LEU 51 4.863 12.721 13.814 387 HD12 LEU 51 2HD1 LEU 51 6.603 12.914 13.624 388 HD13 LEU 51 3HD1 LEU 51 5.501 14.038 12.829 389 HD21 LEU 51 3HD2 LEU 51 7.177 15.433 16.066 390 HD22 LEU 51 1HD2 LEU 51 7.219 15.725 14.328 391 HD23 LEU 51 2HD2 LEU 51 7.836 14.208 14.982 392 H TYR 52 H TYR 52 2.998 15.386 17.059 393 HA TYR 52 HA TYR 52 3.042 12.616 18.004 394 HB2 TYR 52 2HB TYR 52 4.013 14.435 19.360 395 HB3 TYR 52 3HB TYR 52 2.433 15.210 19.458 396 HD1 TYR 52 HD2 TYR 52 4.225 12.031 20.254 397 HD2 TYR 52 HD1 TYR 52 0.904 14.601 21.158 398 HE1 TYR 52 HE2 TYR 52 3.660 10.611 22.208 399 HE2 TYR 52 HE1 TYR 52 0.340 13.181 23.112 400 HH TYR 52 HH TYR 52 1.526 11.590 24.631 401 H LEU 53 H LEU 53 0.749 14.275 16.422 402 HA LEU 53 HA LEU 53 -1.559 13.487 18.109 403 HB2 LEU 53 2HB LEU 53 -1.477 14.846 15.399 404 HB3 LEU 53 3HB LEU 53 -2.902 14.657 16.419 405 HG LEU 53 HG LEU 53 -0.390 16.171 17.195 406 HD11 LEU 53 1HD1 LEU 53 -1.796 17.233 15.391 407 HD12 LEU 53 2HD1 LEU 53 -1.693 18.183 16.874 408 HD13 LEU 53 3HD1 LEU 53 -3.145 17.246 16.526 409 HD21 LEU 53 3HD2 LEU 53 -1.315 15.475 19.235 410 HD22 LEU 53 1HD2 LEU 53 -2.966 15.504 18.615 411 HD23 LEU 53 2HD2 LEU 53 -2.134 17.013 18.991 412 H VAL 54 H VAL 54 -2.744 11.703 17.751 413 HA VAL 54 HA VAL 54 -2.503 10.274 15.139 414 HB VAL 54 HB VAL 54 -2.386 8.119 16.354 415 HG11 VAL 54 1HG1 VAL 54 -0.320 9.132 15.550 416 HG12 VAL 54 2HG1 VAL 54 -0.027 8.357 17.106 417 HG13 VAL 54 3HG1 VAL 54 -0.200 10.109 17.012 418 HG21 VAL 54 3HG2 VAL 54 -1.742 8.195 18.779 419 HG22 VAL 54 1HG2 VAL 54 -3.384 8.763 18.480 420 HG23 VAL 54 2HG2 VAL 54 -2.090 9.923 18.778 421 H ASN 55 H ASN 55 -4.289 8.738 14.822 422 HA ASN 55 HA ASN 55 -6.544 8.126 14.889 423 HB2 ASN 55 2HB ASN 55 -5.961 7.978 17.440 424 HB3 ASN 55 3HB ASN 55 -6.859 9.491 17.565 425 HD21 ASN 55 1HD2 ASN 55 -7.561 6.684 18.512 426 HD22 ASN 55 2HD2 ASN 55 -9.089 6.380 17.838 427 H VAL 56 H VAL 56 -6.089 11.326 16.386 428 HA VAL 56 HA VAL 56 -7.403 13.281 16.154 429 HB VAL 56 HB VAL 56 -7.206 14.175 13.849 430 HG11 VAL 56 1HG1 VAL 56 -4.834 12.753 15.053 431 HG12 VAL 56 2HG1 VAL 56 -5.280 14.452 15.209 432 HG13 VAL 56 3HG1 VAL 56 -4.684 13.835 13.668 433 HG21 VAL 56 3HG2 VAL 56 -6.310 12.850 12.054 434 HG22 VAL 56 1HG2 VAL 56 -7.654 11.930 12.724 435 HG23 VAL 56 2HG2 VAL 56 -5.994 11.490 13.127 436 H THR 57 H THR 57 -8.958 14.047 13.843 437 HA THR 57 HA THR 57 -11.048 12.099 13.388 438 HB THR 57 HB THR 57 -11.705 12.592 15.660 439 HG1 THR 57 HG1 THR 57 -13.542 12.551 14.591 440 HG21 THR 57 3HG2 THR 57 -12.295 15.094 16.136 441 HG22 THR 57 1HG2 THR 57 -11.176 15.438 14.819 442 HG23 THR 57 2HG2 THR 57 -10.613 14.580 16.253 443 H GLY 58 H GLY 58 -12.812 14.754 13.570 444 HA2 GLY 58 2HA GLY 58 -12.630 15.349 10.742 445 HA3 GLY 58 3HA GLY 58 -13.685 16.148 11.902 446 H ALA 59 H ALA 59 -12.434 17.614 9.942 447 HA ALA 59 HA ALA 59 -11.112 19.515 9.620 448 HB1 ALA 59 3HB ALA 59 -12.378 20.257 11.638 449 HB2 ALA 59 1HB ALA 59 -10.753 20.939 11.580 450 HB3 ALA 59 2HB ALA 59 -11.106 19.592 12.660 451 H ARG 60 H ARG 60 -9.918 16.746 10.283 452 HA ARG 60 HA ARG 60 -7.396 17.158 11.573 453 HB2 ARG 60 2HB ARG 60 -6.741 15.020 10.475 454 HB3 ARG 60 3HB ARG 60 -8.299 14.921 11.294 455 HG2 ARG 60 2HG ARG 60 -9.466 15.251 9.154 456 HG3 ARG 60 3HG ARG 60 -7.919 15.399 8.319 457 HD2 ARG 60 2HD ARG 60 -7.322 13.109 8.970 458 HD3 ARG 60 3HD ARG 60 -8.827 12.955 9.871 459 HE ARG 60 HE ARG 60 -10.003 12.716 7.812 460 HH11 ARG 60 1HH2 ARG 60 -6.694 13.601 7.366 461 HH12 ARG 60 2HH2 ARG 60 -6.704 13.264 5.668 462 HH21 ARG 60 1HH1 ARG 60 -10.023 12.270 5.612 463 HH22 ARG 60 2HH1 ARG 60 -8.585 12.509 4.675 464 H PHE 61 H PHE 61 -5.298 17.357 10.665 465 HA PHE 61 HA PHE 61 -5.245 18.970 8.183 466 HB2 PHE 61 2HB PHE 61 -3.217 18.392 10.348 467 HB3 PHE 61 3HB PHE 61 -2.795 19.256 8.869 468 HD1 PHE 61 HD1 PHE 61 -3.996 21.393 8.295 469 HD2 PHE 61 HD2 PHE 61 -4.434 19.463 12.108 470 HE1 PHE 61 HE1 PHE 61 -4.919 23.488 9.247 471 HE2 PHE 61 HE2 PHE 61 -5.359 21.560 13.061 472 HZ PHE 61 HZ PHE 61 -5.601 23.572 11.630 473 H ALA 62 H ALA 62 -4.657 18.124 6.284 474 HA ALA 62 HA ALA 62 -2.884 15.719 6.200 475 HB1 ALA 62 3HB ALA 62 -5.243 14.972 5.923 476 HB2 ALA 62 1HB ALA 62 -4.308 14.736 4.447 477 HB3 ALA 62 2HB ALA 62 -5.424 16.095 4.576 478 H ARG 63 H ARG 63 -2.560 18.658 5.750 479 HA ARG 63 HA ARG 63 -1.431 18.476 2.992 480 HB2 ARG 63 2HB ARG 63 -3.604 19.668 2.834 481 HB3 ARG 63 3HB ARG 63 -3.034 20.833 4.030 482 HG2 ARG 63 2HG ARG 63 -1.204 21.507 2.546 483 HG3 ARG 63 3HG ARG 63 -1.686 20.289 1.366 484 HD2 ARG 63 2HD ARG 63 -3.490 22.543 2.293 485 HD3 ARG 63 3HD ARG 63 -2.507 22.607 0.829 486 HE ARG 63 HE ARG 63 -4.032 20.226 0.707 487 HH11 ARG 63 1HH2 ARG 63 -4.470 23.652 0.772 488 HH12 ARG 63 2HH2 ARG 63 -5.921 23.609 -0.169 489 HH21 ARG 63 1HH1 ARG 63 -5.916 20.165 -0.518 490 HH22 ARG 63 2HH1 ARG 63 -6.739 21.641 -0.899 491 H GLY 64 H GLY 64 0.479 19.619 2.728 492 HA2 GLY 64 2HA GLY 64 1.613 21.708 4.057 493 HA3 GLY 64 3HA GLY 64 1.859 20.391 5.206 494 H SER 65 H SER 65 3.655 19.179 4.933 495 HA SER 65 HA SER 65 5.360 19.640 2.568 496 HB2 SER 65 2HB SER 65 6.272 19.578 4.908 497 HB3 SER 65 3HB SER 65 5.838 17.875 4.989 498 HG SER 65 HG SER 65 7.801 17.696 4.199 499 H PHE 66 H PHE 66 2.880 18.242 2.128 500 HA PHE 66 HA PHE 66 3.221 15.404 2.027 501 HB2 PHE 66 2HB PHE 66 1.282 15.401 0.573 502 HB3 PHE 66 3HB PHE 66 1.035 16.614 1.828 503 HD1 PHE 66 HD1 PHE 66 1.359 19.040 1.309 504 HD2 PHE 66 HD2 PHE 66 1.501 16.019 -1.739 505 HE1 PHE 66 HE1 PHE 66 1.057 20.783 -0.429 506 HE2 PHE 66 HE2 PHE 66 1.204 17.762 -3.479 507 HZ PHE 66 HZ PHE 66 0.983 20.143 -2.825 508 H ARG 67 H ARG 67 4.202 14.111 0.566 509 HA ARG 67 HA ARG 67 6.122 15.155 -1.289 510 HB2 ARG 67 2HB ARG 67 4.840 12.409 -1.251 511 HB3 ARG 67 3HB ARG 67 6.381 12.830 -1.998 512 HG2 ARG 67 2HG ARG 67 5.765 13.099 0.960 513 HG3 ARG 67 3HG ARG 67 6.650 11.756 0.243 514 HD2 ARG 67 2HD ARG 67 8.416 13.132 0.887 515 HD3 ARG 67 3HD ARG 67 8.157 13.711 -0.757 516 HE ARG 67 HE ARG 67 6.578 15.142 1.244 517 HH11 ARG 67 1HH2 ARG 67 9.580 14.861 -0.432 518 HH12 ARG 67 2HH2 ARG 67 10.015 16.521 -0.193 519 HH21 ARG 67 1HH1 ARG 67 7.131 17.301 1.562 520 HH22 ARG 67 2HH1 ARG 67 8.630 17.900 0.935 521 H GLU 68 H GLU 68 3.200 13.225 -2.044 522 HA GLU 68 HA GLU 68 2.431 15.111 -4.151 523 HB2 GLU 68 2HB GLU 68 4.244 13.698 -5.210 524 HB3 GLU 68 3HB GLU 68 3.202 12.298 -4.970 525 HG2 GLU 68 2HG GLU 68 1.437 13.353 -6.308 526 HG3 GLU 68 3HG GLU 68 2.438 14.786 -6.523 527 H VAL 69 H VAL 69 0.241 14.932 -4.536 528 HA VAL 69 HA VAL 69 -1.168 12.512 -3.438 529 HB VAL 69 HB VAL 69 -1.951 15.432 -3.261 530 HG11 VAL 69 1HG1 VAL 69 -3.994 14.355 -3.747 531 HG12 VAL 69 2HG1 VAL 69 -3.962 14.377 -1.986 532 HG13 VAL 69 3HG1 VAL 69 -3.548 12.900 -2.858 533 HG21 VAL 69 3HG2 VAL 69 -0.368 14.586 -1.545 534 HG22 VAL 69 1HG2 VAL 69 -1.506 13.299 -1.148 535 HG23 VAL 69 2HG2 VAL 69 -1.937 14.982 -0.843 536 H VAL 70 H VAL 70 -2.295 11.495 -4.959 537 HA VAL 70 HA VAL 70 -3.639 13.027 -7.103 538 HB VAL 70 HB VAL 70 -2.037 10.607 -7.915 539 HG11 VAL 70 1HG1 VAL 70 -3.841 11.802 -9.331 540 HG12 VAL 70 2HG1 VAL 70 -2.276 11.533 -10.096 541 HG13 VAL 70 3HG1 VAL 70 -2.687 13.127 -9.461 542 HG21 VAL 70 3HG2 VAL 70 -0.409 12.062 -6.834 543 HG22 VAL 70 1HG2 VAL 70 -1.032 13.461 -7.709 544 HG23 VAL 70 2HG2 VAL 70 -0.209 12.171 -8.582 545 HA PRO 71 HA PRO 71 -6.371 9.842 -5.151 546 HB2 PRO 71 2HB PRO 71 -8.299 11.404 -6.835 547 HB3 PRO 71 3HB PRO 71 -8.459 10.859 -5.152 548 HG2 PRO 71 2HG PRO 71 -7.912 13.393 -5.702 549 HG3 PRO 71 3HG PRO 71 -7.129 12.572 -4.337 550 HD2 PRO 71 2HD PRO 71 -5.981 13.274 -7.019 551 HD3 PRO 71 3HD PRO 71 -5.200 13.260 -5.421 552 H VAL 72 H VAL 72 -7.371 8.009 -5.967 553 HA VAL 72 HA VAL 72 -7.332 6.187 -7.458 554 HB VAL 72 HB VAL 72 -8.922 6.541 -9.336 555 HG11 VAL 72 1HG1 VAL 72 -9.875 6.007 -7.213 556 HG12 VAL 72 2HG1 VAL 72 -10.830 7.344 -7.853 557 HG13 VAL 72 3HG1 VAL 72 -9.616 7.643 -6.610 558 HG21 VAL 72 3HG2 VAL 72 -8.153 8.925 -9.792 559 HG22 VAL 72 1HG2 VAL 72 -9.072 9.408 -8.367 560 HG23 VAL 72 2HG2 VAL 72 -9.900 8.699 -9.750 561 H HIS 73 H HIS 73 -4.902 7.376 -7.643 562 HA HIS 73 HA HIS 73 -4.091 6.665 -10.345 563 HB2 HIS 73 2HB HIS 73 -4.877 9.093 -10.540 564 HB3 HIS 73 3HB HIS 73 -3.530 9.509 -9.484 565 HD1 HIS 73 HD1 HIS 73 -2.322 6.750 -11.325 566 HD2 HIS 73 HD2 HIS 73 -2.922 10.765 -12.270 567 HE1 HIS 73 HE1 HIS 73 -0.896 7.225 -13.364 568 H ARG 74 H ARG 74 -2.658 8.949 -8.005 569 HA ARG 74 HA ARG 74 -0.693 6.867 -7.190 570 HB2 ARG 74 2HB ARG 74 -0.015 9.519 -8.468 571 HB3 ARG 74 3HB ARG 74 1.152 8.583 -7.533 572 HG2 ARG 74 2HG ARG 74 0.830 6.661 -9.042 573 HG3 ARG 74 3HG ARG 74 -0.349 7.586 -9.972 574 HD2 ARG 74 2HD ARG 74 1.370 9.257 -10.510 575 HD3 ARG 74 3HD ARG 74 2.558 8.344 -9.583 576 HE ARG 74 HE ARG 74 1.432 7.567 -12.212 577 HH11 ARG 74 1HH2 ARG 74 3.352 6.786 -9.440 578 HH12 ARG 74 2HH2 ARG 74 4.216 5.523 -10.245 579 HH21 ARG 74 1HH1 ARG 74 2.553 5.925 -13.254 580 HH22 ARG 74 2HH1 ARG 74 3.767 5.034 -12.395 581 H LEU 75 H LEU 75 0.331 7.293 -5.200 582 HA LEU 75 HA LEU 75 -0.424 9.750 -3.731 583 HB2 LEU 75 2HB LEU 75 -2.221 8.062 -3.266 584 HB3 LEU 75 3HB LEU 75 -0.985 6.976 -2.633 585 HG LEU 75 HG LEU 75 -0.368 8.692 -0.943 586 HD11 LEU 75 1HD1 LEU 75 -0.927 10.804 -1.713 587 HD12 LEU 75 2HD1 LEU 75 -2.343 10.497 -0.714 588 HD13 LEU 75 3HD1 LEU 75 -2.431 10.261 -2.456 589 HD21 LEU 75 3HD2 LEU 75 -3.270 7.823 -1.057 590 HD22 LEU 75 1HD2 LEU 75 -2.523 8.527 0.377 591 HD23 LEU 75 2HD2 LEU 75 -1.937 6.990 -0.258 592 H ALA 76 H ALA 76 1.248 10.397 -2.422 593 HA ALA 76 HA ALA 76 3.259 8.398 -1.525 594 HB1 ALA 76 3HB ALA 76 3.988 9.365 -3.758 595 HB2 ALA 76 1HB ALA 76 5.123 9.615 -2.432 596 HB3 ALA 76 2HB ALA 76 4.081 10.935 -2.959 597 H TYR 77 H TYR 77 3.953 8.870 0.497 598 HA TYR 77 HA TYR 77 3.694 11.651 1.540 599 HB2 TYR 77 2HB TYR 77 2.228 9.217 2.479 600 HB3 TYR 77 3HB TYR 77 2.860 10.280 3.735 601 HD1 TYR 77 HD2 TYR 77 2.509 12.893 3.153 602 HD2 TYR 77 HD1 TYR 77 0.046 9.667 1.752 603 HE1 TYR 77 HE2 TYR 77 0.639 14.480 2.797 604 HE2 TYR 77 HE1 TYR 77 -1.825 11.256 1.402 605 HH TYR 77 HH TYR 77 -2.275 13.881 2.681 606 H SER 78 H SER 78 4.857 11.900 3.626 607 HA SER 78 HA SER 78 6.887 9.854 4.251 608 HB2 SER 78 2HB SER 78 8.780 11.100 3.661 609 HB3 SER 78 3HB SER 78 7.684 11.433 2.323 610 HG SER 78 HG SER 78 8.658 13.097 4.260 611 H PHE 79 H PHE 79 8.089 10.414 6.210 612 HA PHE 79 HA PHE 79 7.230 12.751 7.777 613 HB2 PHE 79 2HB PHE 79 6.625 9.988 8.856 614 HB3 PHE 79 3HB PHE 79 6.204 11.536 9.581 615 HD1 PHE 79 HD2 PHE 79 4.523 13.022 8.457 616 HD2 PHE 79 HD1 PHE 79 5.275 8.998 7.158 617 HE1 PHE 79 HE2 PHE 79 2.387 13.028 7.198 618 HE2 PHE 79 HE1 PHE 79 3.139 9.005 5.897 619 HZ PHE 79 HZ PHE 79 1.696 11.021 5.917 620 H GLY 80 H GLY 80 7.950 11.401 10.299 621 HA2 GLY 80 2HA GLY 80 10.339 10.026 10.425 622 HA3 GLY 80 3HA GLY 80 10.854 11.680 10.095 623 H TRP 81 H TRP 81 10.319 9.567 12.539 624 HA TRP 81 HA TRP 81 8.998 11.183 14.525 625 HB2 TRP 81 2HB TRP 81 9.199 8.756 14.797 626 HB3 TRP 81 3HB TRP 81 10.957 8.882 14.793 627 HD1 TRP 81 HD1 TRP 81 12.002 8.934 17.100 628 HE1 TRP 81 HE1 TRP 81 11.248 9.650 19.461 629 HE3 TRP 81 HE3 TRP 81 7.306 10.620 16.043 630 HZ2 TRP 81 HZ2 TRP 81 8.944 10.785 20.730 631 HZ3 TRP 81 HZ3 TRP 81 5.854 11.513 17.837 632 HH2 TRP 81 HH2 TRP 81 6.665 11.595 20.178 633 H ASP 82 H ASP 82 12.225 10.069 15.226 634 HA ASP 82 HA ASP 82 12.977 12.504 16.514 635 HB2 ASP 82 2HB ASP 82 14.491 10.061 15.608 636 HB3 ASP 82 3HB ASP 82 15.348 11.434 16.302 637 H GLY 83 H GLY 83 14.155 14.227 15.836 638 HA2 GLY 83 2HA GLY 83 14.084 14.992 13.104 639 HA3 GLY 83 3HA GLY 83 15.069 15.774 14.339 640 H SER 84 H SER 84 15.036 13.344 11.833 641 HA SER 84 HA SER 84 17.964 13.530 11.639 642 HB2 SER 84 2HB SER 84 17.826 11.737 13.244 643 HB3 SER 84 3HB SER 84 16.561 10.932 12.320 644 HG SER 84 HG SER 84 18.016 10.208 10.954 645 H GLU 85 H GLU 85 17.792 14.259 9.566 646 HA GLU 85 HA GLU 85 17.155 14.322 7.286 647 HB2 GLU 85 2HB GLU 85 17.981 11.431 7.682 648 HB3 GLU 85 3HB GLU 85 17.828 12.221 6.113 649 HG2 GLU 85 2HG GLU 85 19.655 13.169 8.340 650 HG3 GLU 85 3HG GLU 85 20.180 12.200 6.964 651 H VAL 86 H VAL 86 16.231 10.960 7.531 652 HA VAL 86 HA VAL 86 13.373 11.567 7.695 653 HB VAL 86 HB VAL 86 13.696 12.088 5.354 654 HG11 VAL 86 1HG1 VAL 86 14.892 10.767 3.824 655 HG12 VAL 86 2HG1 VAL 86 14.791 9.325 4.833 656 HG13 VAL 86 3HG1 VAL 86 15.878 10.638 5.277 657 HG21 VAL 86 3HG2 VAL 86 11.756 10.554 6.158 658 HG22 VAL 86 1HG2 VAL 86 12.645 9.255 5.357 659 HG23 VAL 86 2HG2 VAL 86 12.075 10.637 4.425 660 H VAL 87 H VAL 87 12.713 9.980 9.012 661 HA VAL 87 HA VAL 87 13.252 7.179 8.301 662 HB VAL 87 HB VAL 87 14.262 8.413 10.879 663 HG11 VAL 87 1HG1 VAL 87 14.889 5.776 11.164 664 HG12 VAL 87 2HG1 VAL 87 13.364 5.616 10.297 665 HG13 VAL 87 3HG1 VAL 87 13.418 6.477 11.832 666 HG21 VAL 87 3HG2 VAL 87 15.916 8.496 9.149 667 HG22 VAL 87 1HG2 VAL 87 15.528 6.863 8.597 668 HG23 VAL 87 2HG2 VAL 87 16.338 7.103 10.145 669 HA PRO 88 HA PRO 88 9.045 8.128 10.095 670 HB2 PRO 88 2HB PRO 88 8.244 6.393 7.809 671 HB3 PRO 88 3HB PRO 88 7.611 7.979 8.289 672 HG2 PRO 88 2HG PRO 88 9.137 7.710 6.129 673 HG3 PRO 88 3HG PRO 88 9.280 9.129 7.185 674 HD2 PRO 88 2HD PRO 88 11.057 6.702 7.051 675 HD3 PRO 88 3HD PRO 88 11.502 8.418 7.195 676 HA PRO 89 HA PRO 89 8.136 4.279 12.150 677 HB2 PRO 89 2HB PRO 89 5.779 3.699 10.380 678 HB3 PRO 89 3HB PRO 89 5.862 3.772 12.152 679 HG2 PRO 89 2HG PRO 89 4.748 5.743 10.789 680 HG3 PRO 89 3HG PRO 89 5.787 6.094 12.185 681 HD2 PRO 89 2HD PRO 89 6.421 6.309 9.262 682 HD3 PRO 89 3HD PRO 89 6.892 7.395 10.592 683 H GLY 90 H GLY 90 7.819 4.036 8.634 684 HA2 GLY 90 2HA GLY 90 8.615 1.181 8.645 685 HA3 GLY 90 3HA GLY 90 8.159 2.127 7.224 686 H SER 91 H SER 91 10.035 4.256 8.550 687 HA SER 91 HA SER 91 12.267 4.923 8.356 688 HB2 SER 91 2HB SER 91 13.091 2.064 7.859 689 HB3 SER 91 3HB SER 91 13.974 3.346 8.679 690 HG SER 91 HG SER 91 11.542 2.202 9.597 691 H SER 92 H SER 92 10.488 4.757 6.053 692 HA SER 92 HA SER 92 12.523 5.063 3.973 693 HB2 SER 92 2HB SER 92 10.600 2.763 3.971 694 HB3 SER 92 3HB SER 92 11.089 3.479 2.435 695 HG SER 92 HG SER 92 13.173 3.118 4.136 696 H LEU 93 H LEU 93 11.045 5.269 1.742 697 HA LEU 93 HA LEU 93 9.150 7.476 2.407 698 HB2 LEU 93 2HB LEU 93 11.048 7.963 0.862 699 HB3 LEU 93 3HB LEU 93 10.436 6.739 -0.246 700 HG LEU 93 HG LEU 93 8.296 8.007 -0.419 701 HD11 LEU 93 1HD1 LEU 93 8.026 9.273 1.509 702 HD12 LEU 93 2HD1 LEU 93 8.608 10.507 0.395 703 HD13 LEU 93 3HD1 LEU 93 9.718 9.774 1.552 704 HD21 LEU 93 3HD2 LEU 93 10.336 8.360 -1.942 705 HD22 LEU 93 1HD2 LEU 93 10.618 9.843 -1.030 706 HD23 LEU 93 2HD2 LEU 93 9.120 9.637 -1.936 707 H VAL 94 H VAL 94 7.023 7.250 2.030 708 HA VAL 94 HA VAL 94 6.014 4.670 1.046 709 HB VAL 94 HB VAL 94 4.420 7.088 1.916 710 HG11 VAL 94 1HG1 VAL 94 3.291 5.135 0.756 711 HG12 VAL 94 2HG1 VAL 94 2.687 5.490 2.374 712 HG13 VAL 94 3HG1 VAL 94 3.789 4.136 2.121 713 HG21 VAL 94 3HG2 VAL 94 5.953 6.640 3.719 714 HG22 VAL 94 1HG2 VAL 94 5.718 4.899 3.561 715 HG23 VAL 94 2HG2 VAL 94 4.410 5.914 4.170 716 H GLU 95 H GLU 95 5.470 4.342 -1.025 717 HA GLU 95 HA GLU 95 4.347 6.586 -2.634 718 HB2 GLU 95 2HB GLU 95 6.676 4.817 -3.435 719 HB3 GLU 95 3HB GLU 95 5.759 5.793 -4.585 720 HG2 GLU 95 2HG GLU 95 6.329 7.826 -3.343 721 HG3 GLU 95 3HG GLU 95 7.198 6.867 -2.145 722 H ILE 96 H ILE 96 2.422 5.848 -3.334 723 HA ILE 96 HA ILE 96 2.151 2.933 -4.019 724 HB ILE 96 HB ILE 96 0.109 4.765 -2.733 725 HG12 ILE 96 2HG1 ILE 96 1.350 2.199 -1.698 726 HG13 ILE 96 3HG1 ILE 96 1.984 3.797 -1.301 727 HG21 ILE 96 1HG2 ILE 96 -0.044 1.963 -3.866 728 HG22 ILE 96 2HG2 ILE 96 -1.100 3.336 -4.198 729 HG23 ILE 96 3HG2 ILE 96 -1.174 2.526 -2.634 730 HD11 ILE 96 3HD1 ILE 96 0.315 2.762 0.363 731 HD12 ILE 96 1HD1 ILE 96 -0.918 3.086 -0.853 732 HD13 ILE 96 2HD1 ILE 96 0.000 4.419 -0.154 733 H ASP 97 H ASP 97 1.395 2.518 -6.000 734 HA ASP 97 HA ASP 97 0.243 4.771 -7.619 735 HB2 ASP 97 2HB ASP 97 1.940 2.400 -8.441 736 HB3 ASP 97 3HB ASP 97 1.116 3.456 -9.590 737 H LEU 98 H LEU 98 -1.739 4.401 -8.516 738 HA LEU 98 HA LEU 98 -3.016 1.740 -8.010 739 HB2 LEU 98 2HB LEU 98 -4.273 4.418 -8.675 740 HB3 LEU 98 3HB LEU 98 -5.142 2.941 -8.258 741 HG LEU 98 HG LEU 98 -3.173 4.378 -6.448 742 HD11 LEU 98 1HD1 LEU 98 -5.277 4.842 -5.113 743 HD12 LEU 98 2HD1 LEU 98 -6.202 4.282 -6.507 744 HD13 LEU 98 3HD1 LEU 98 -5.174 5.708 -6.647 745 HD21 LEU 98 3HD2 LEU 98 -4.798 1.843 -6.202 746 HD22 LEU 98 1HD2 LEU 98 -4.408 2.779 -4.758 747 HD23 LEU 98 2HD2 LEU 98 -3.115 2.129 -5.757 748 H ILE 99 H ILE 99 -3.419 0.453 -9.697 749 HA ILE 99 HA ILE 99 -3.576 1.641 -12.446 750 HB ILE 99 HB ILE 99 -2.163 -0.909 -11.610 751 HG12 ILE 99 2HG1 ILE 99 -1.056 1.588 -12.931 752 HG13 ILE 99 3HG1 ILE 99 -1.004 1.316 -11.189 753 HG21 ILE 99 1HG2 ILE 99 -2.815 0.312 -14.302 754 HG22 ILE 99 2HG2 ILE 99 -3.170 -1.320 -13.733 755 HG23 ILE 99 3HG2 ILE 99 -1.507 -0.854 -14.092 756 HD11 ILE 99 3HD1 ILE 99 1.104 0.575 -12.117 757 HD12 ILE 99 1HD1 ILE 99 0.279 -0.394 -13.337 758 HD13 ILE 99 2HD1 ILE 99 0.192 -0.855 -11.638 759 H GLU 100 H GLU 100 -5.413 1.082 -13.457 760 HA GLU 100 HA GLU 100 -7.335 -0.691 -12.200 761 HB2 GLU 100 2HB GLU 100 -7.274 0.743 -14.863 762 HB3 GLU 100 3HB GLU 100 -8.641 -0.243 -14.345 763 HG2 GLU 100 2HG GLU 100 -7.525 2.095 -12.764 764 HG3 GLU 100 3HG GLU 100 -8.929 2.194 -13.826 765 H GLN 101 H GLN 101 -7.835 -2.792 -12.705 766 HA GLN 101 HA GLN 101 -6.566 -4.034 -15.093 767 HB2 GLN 101 2HB GLN 101 -4.997 -4.389 -13.220 768 HB3 GLN 101 3HB GLN 101 -6.290 -5.135 -12.281 769 HG2 GLN 101 2HG GLN 101 -6.505 -6.932 -13.889 770 HG3 GLN 101 3HG GLN 101 -5.375 -6.142 -14.989 771 HE21 GLN 101 1HE2 GLN 101 -3.544 -7.482 -14.945 772 HE22 GLN 101 2HE2 GLN 101 -2.759 -7.983 -13.526 773 H GLY 102 H GLY 102 -7.520 -6.091 -15.643 774 HA2 GLY 102 2HA GLY 102 -10.339 -6.138 -15.621 775 HA3 GLY 102 3HA GLY 102 -9.323 -7.527 -15.990 776 H GLY 103 H GLY 103 -8.069 -7.874 -13.488 777 HA2 GLY 103 2HA GLY 103 -10.346 -9.019 -11.973 778 HA3 GLY 103 3HA GLY 103 -8.643 -9.390 -11.713 779 H GLY 104 H GLY 104 -11.235 -7.202 -10.955 780 HA2 GLY 104 2HA GLY 104 -11.479 -5.654 -9.217 781 HA3 GLY 104 3HA GLY 104 -10.150 -6.492 -8.421 782 H THR 105 H THR 105 -8.821 -4.874 -7.776 783 HA THR 105 HA THR 105 -7.850 -2.941 -9.858 784 HB THR 105 HB THR 105 -8.367 -2.399 -6.922 785 HG1 THR 105 HG1 THR 105 -9.764 -0.782 -8.092 786 HG21 THR 105 3HG2 THR 105 -7.133 -0.768 -9.148 787 HG22 THR 105 1HG2 THR 105 -6.438 -1.152 -7.572 788 HG23 THR 105 2HG2 THR 105 -7.794 -0.028 -7.689 789 H LEU 106 H LEU 106 -5.703 -2.883 -10.082 790 HA LEU 106 HA LEU 106 -4.064 -4.604 -8.327 791 HB2 LEU 106 2HB LEU 106 -3.769 -4.825 -10.744 792 HB3 LEU 106 3HB LEU 106 -3.422 -3.105 -10.884 793 HG LEU 106 HG LEU 106 -1.387 -3.364 -9.549 794 HD11 LEU 106 1HD1 LEU 106 -0.728 -5.876 -9.102 795 HD12 LEU 106 2HD1 LEU 106 -2.467 -6.154 -9.177 796 HD13 LEU 106 3HD1 LEU 106 -1.800 -5.048 -7.976 797 HD21 LEU 106 3HD2 LEU 106 -0.098 -4.767 -11.106 798 HD22 LEU 106 1HD2 LEU 106 -1.262 -3.777 -11.986 799 HD23 LEU 106 2HD2 LEU 106 -1.591 -5.487 -11.708 800 H LEU 107 H LEU 107 -2.981 -3.757 -6.670 801 HA LEU 107 HA LEU 107 -2.345 -0.825 -6.684 802 HB2 LEU 107 2HB LEU 107 -3.986 -1.590 -4.970 803 HB3 LEU 107 3HB LEU 107 -2.752 -2.660 -4.310 804 HG LEU 107 HG LEU 107 -1.890 0.185 -4.650 805 HD11 LEU 107 1HD1 LEU 107 -3.043 0.924 -2.599 806 HD12 LEU 107 2HD1 LEU 107 -3.942 -0.593 -2.561 807 HD13 LEU 107 3HD1 LEU 107 -4.183 0.544 -3.888 808 HD21 LEU 107 3HD2 LEU 107 -0.903 -0.240 -2.418 809 HD22 LEU 107 1HD2 LEU 107 -0.462 -1.512 -3.555 810 HD23 LEU 107 2HD2 LEU 107 -1.719 -1.802 -2.356 811 H ARG 108 H ARG 108 -0.247 -0.327 -6.658 812 HA ARG 108 HA ARG 108 1.744 -2.458 -5.948 813 HB2 ARG 108 2HB ARG 108 1.777 -1.750 -8.331 814 HB3 ARG 108 3HB ARG 108 2.083 -0.093 -7.809 815 HG2 ARG 108 2HG ARG 108 4.169 -0.807 -6.710 816 HG3 ARG 108 3HG ARG 108 3.856 -2.475 -7.189 817 HD2 ARG 108 2HD ARG 108 4.140 -0.184 -9.151 818 HD3 ARG 108 3HD ARG 108 5.458 -1.268 -8.703 819 HE ARG 108 HE ARG 108 3.315 -2.909 -9.514 820 HH11 ARG 108 1HH2 ARG 108 5.373 -0.454 -10.802 821 HH12 ARG 108 2HH2 ARG 108 5.314 -1.078 -12.417 822 HH21 ARG 108 1HH1 ARG 108 3.235 -3.727 -11.606 823 HH22 ARG 108 2HH1 ARG 108 4.107 -2.928 -12.871 824 H LEU 109 H LEU 109 3.028 -2.016 -4.264 825 HA LEU 109 HA LEU 109 3.085 0.797 -3.223 826 HB2 LEU 109 2HB LEU 109 2.015 -0.925 -1.762 827 HB3 LEU 109 3HB LEU 109 3.555 -1.780 -1.706 828 HG LEU 109 HG LEU 109 3.723 1.130 -1.037 829 HD11 LEU 109 1HD1 LEU 109 2.270 -0.824 0.757 830 HD12 LEU 109 2HD1 LEU 109 1.641 0.679 0.083 831 HD13 LEU 109 3HD1 LEU 109 2.919 0.726 1.296 832 HD21 LEU 109 3HD2 LEU 109 5.213 0.257 0.734 833 HD22 LEU 109 1HD2 LEU 109 5.655 -0.403 -0.840 834 HD23 LEU 109 2HD2 LEU 109 4.757 -1.392 0.309 835 H THR 110 H THR 110 4.980 1.781 -3.338 836 HA THR 110 HA THR 110 7.476 0.143 -3.659 837 HB THR 110 HB THR 110 6.766 2.887 -4.724 838 HG1 THR 110 HG1 THR 110 6.595 0.388 -5.664 839 HG21 THR 110 3HG2 THR 110 9.058 3.023 -4.115 840 HG22 THR 110 1HG2 THR 110 9.065 2.627 -5.833 841 HG23 THR 110 2HG2 THR 110 9.375 1.368 -4.637 842 H HIS 111 H HIS 111 8.958 0.385 -2.103 843 HA HIS 111 HA HIS 111 8.771 2.755 -0.277 844 HB2 HIS 111 2HB HIS 111 8.407 0.019 0.377 845 HB3 HIS 111 3HB HIS 111 10.009 0.422 0.988 846 HD1 HIS 111 HD1 HIS 111 9.450 3.392 1.706 847 HD2 HIS 111 HD2 HIS 111 6.966 0.226 2.758 848 HE1 HIS 111 HE1 HIS 111 8.143 4.161 3.728 849 H SER 112 H SER 112 10.625 3.826 0.119 850 HA SER 112 HA SER 112 13.178 2.632 -0.942 851 HB2 SER 112 2HB SER 112 12.400 4.355 -2.487 852 HB3 SER 112 3HB SER 112 12.229 5.499 -1.159 853 HG SER 112 HG SER 112 14.641 4.200 -1.917 854 H GLY 113 H GLY 113 14.740 2.545 0.536 855 HA2 GLY 113 2HA GLY 113 15.924 4.210 2.202 856 HA3 GLY 113 3HA GLY 113 14.413 4.042 3.092 857 H LEU 114 H LEU 114 14.700 2.698 4.752 858 HA LEU 114 HA LEU 114 15.455 0.907 6.048 859 HB2 LEU 114 2HB LEU 114 15.567 -0.744 3.528 860 HB3 LEU 114 3HB LEU 114 15.052 -1.223 5.146 861 HG LEU 114 HG LEU 114 13.584 0.599 3.235 862 HD11 LEU 114 1HD1 LEU 114 12.583 -1.943 4.508 863 HD12 LEU 114 2HD1 LEU 114 13.517 -1.979 3.011 864 HD13 LEU 114 3HD1 LEU 114 11.979 -1.119 3.072 865 HD21 LEU 114 3HD2 LEU 114 13.260 1.507 5.465 866 HD22 LEU 114 1HD2 LEU 114 13.035 -0.105 6.138 867 HD23 LEU 114 2HD2 LEU 114 11.814 0.582 5.069 868 HA PRO 115 HA PRO 115 19.822 1.756 4.502 869 HB2 PRO 115 2HB PRO 115 20.065 2.262 7.448 870 HB3 PRO 115 3HB PRO 115 20.738 3.184 6.087 871 HG2 PRO 115 2HG PRO 115 18.651 4.103 7.445 872 HG3 PRO 115 3HG PRO 115 18.745 4.293 5.684 873 HD2 PRO 115 2HD PRO 115 17.103 2.351 7.284 874 HD3 PRO 115 3HD PRO 115 16.685 3.216 5.787 875 H SER 116 H SER 116 18.495 -0.068 7.233 876 HA SER 116 HA SER 116 20.882 -1.851 7.245 877 HB2 SER 116 2HB SER 116 18.568 -1.428 9.124 878 HB3 SER 116 3HB SER 116 19.584 -2.861 9.248 879 HG SER 116 HG SER 116 20.263 -0.138 9.551 880 H ALA 117 H ALA 117 20.783 -3.964 6.664 881 HA ALA 117 HA ALA 117 18.757 -4.842 4.823 882 HB1 ALA 117 3HB ALA 117 21.064 -5.678 4.728 883 HB2 ALA 117 1HB ALA 117 19.947 -7.025 4.964 884 HB3 ALA 117 2HB ALA 117 20.879 -6.402 6.324 885 H GLU 118 H GLU 118 19.293 -5.372 8.270 886 HA GLU 118 HA GLU 118 17.433 -7.500 8.667 887 HB2 GLU 118 2HB GLU 118 18.262 -5.240 10.513 888 HB3 GLU 118 3HB GLU 118 17.340 -6.651 11.031 889 HG2 GLU 118 2HG GLU 118 19.168 -8.130 10.320 890 HG3 GLU 118 3HG GLU 118 20.085 -6.736 9.749 891 H GLN 119 H GLN 119 17.027 -3.998 8.559 892 HA GLN 119 HA GLN 119 14.261 -3.929 9.342 893 HB2 GLN 119 2HB GLN 119 15.956 -2.063 7.664 894 HB3 GLN 119 3HB GLN 119 14.301 -1.692 8.146 895 HG2 GLN 119 2HG GLN 119 14.935 -1.889 10.514 896 HG3 GLN 119 3HG GLN 119 16.585 -2.300 10.046 897 HE21 GLN 119 1HE2 GLN 119 16.724 -0.158 11.549 898 HE22 GLN 119 2HE2 GLN 119 16.791 1.297 10.678 899 H CYS 120 H CYS 120 15.889 -4.236 6.214 900 HA CYS 120 HA CYS 120 13.590 -4.036 4.536 901 HB2 CYS 120 2HB CYS 120 16.132 -5.646 4.186 902 HB3 CYS 120 3HB CYS 120 14.966 -5.333 2.902 903 HG CYS 120 HG CYS 120 16.953 -3.286 4.064 904 H ALA 121 H ALA 121 15.066 -6.839 6.135 905 HA ALA 121 HA ALA 121 13.256 -8.792 5.032 906 HB1 ALA 121 3HB ALA 121 15.349 -9.526 5.993 907 HB2 ALA 121 1HB ALA 121 14.054 -10.182 6.994 908 HB3 ALA 121 2HB ALA 121 14.957 -8.768 7.537 909 H GLY 122 H GLY 122 13.231 -6.868 8.010 910 HA2 GLY 122 2HA GLY 122 10.879 -8.109 9.136 911 HA3 GLY 122 3HA GLY 122 11.547 -6.551 9.619 912 H HIS 123 H HIS 123 11.379 -5.153 7.225 913 HA HIS 123 HA HIS 123 8.605 -4.369 7.199 914 HB2 HIS 123 2HB HIS 123 10.969 -3.710 5.433 915 HB3 HIS 123 3HB HIS 123 9.368 -3.028 5.145 916 HD1 HIS 123 HD1 HIS 123 12.337 -2.755 7.361 917 HD2 HIS 123 HD2 HIS 123 8.434 -1.291 7.273 918 HE1 HIS 123 HE1 HIS 123 12.236 -0.880 9.062 919 H GLU 124 H GLU 124 10.617 -6.264 4.976 920 HA GLU 124 HA GLU 124 8.803 -6.577 2.844 921 HB2 GLU 124 2HB GLU 124 11.158 -7.387 2.839 922 HB3 GLU 124 3HB GLU 124 10.693 -8.670 3.956 923 HG2 GLU 124 2HG GLU 124 9.141 -9.595 2.317 924 HG3 GLU 124 3HG GLU 124 9.488 -8.271 1.206 925 H GLU 125 H GLU 125 9.194 -8.724 5.671 926 HA GLU 125 HA GLU 125 6.914 -10.367 4.985 927 HB2 GLU 125 2HB GLU 125 8.368 -9.962 7.615 928 HB3 GLU 125 3HB GLU 125 7.180 -11.229 7.319 929 HG2 GLU 125 2HG GLU 125 9.750 -10.863 5.749 930 HG3 GLU 125 3HG GLU 125 9.519 -12.040 7.041 931 H GLY 126 H GLY 126 7.371 -7.496 6.974 932 HA2 GLY 126 2HA GLY 126 4.841 -7.532 8.314 933 HA3 GLY 126 3HA GLY 126 5.814 -6.091 8.028 934 H TRP 127 H TRP 127 5.852 -5.959 5.283 935 HA TRP 127 HA TRP 127 3.318 -4.789 4.671 936 HB2 TRP 127 2HB TRP 127 5.669 -5.618 2.972 937 HB3 TRP 127 3HB TRP 127 4.226 -4.904 2.258 938 HD1 TRP 127 HD1 TRP 127 7.466 -3.918 3.543 939 HE1 TRP 127 HE1 TRP 127 7.510 -1.424 4.191 940 HE3 TRP 127 HE3 TRP 127 2.457 -2.920 3.558 941 HZ2 TRP 127 HZ2 TRP 127 5.664 0.714 4.647 942 HZ3 TRP 127 HZ3 TRP 127 1.629 -0.648 4.098 943 HH2 TRP 127 HH2 TRP 127 3.227 1.169 4.641 944 H ALA 128 H ALA 128 4.692 -7.966 3.976 945 HA ALA 128 HA ALA 128 2.750 -8.916 2.144 946 HB1 ALA 128 3HB ALA 128 3.513 -11.110 2.706 947 HB2 ALA 128 1HB ALA 128 4.002 -10.597 4.321 948 HB3 ALA 128 2HB ALA 128 4.912 -10.054 2.911 949 H HIS 129 H HIS 129 2.764 -9.091 5.704 950 HA HIS 129 HA HIS 129 0.212 -10.414 5.913 951 HB2 HIS 129 2HB HIS 129 1.794 -8.714 7.852 952 HB3 HIS 129 3HB HIS 129 0.302 -9.541 8.292 953 HD1 HIS 129 HD1 HIS 129 0.386 -12.258 7.652 954 HD2 HIS 129 HD2 HIS 129 4.016 -10.299 8.252 955 HE1 HIS 129 HE1 HIS 129 2.106 -14.061 8.107 956 H TYR 130 H TYR 130 1.188 -7.005 6.060 957 HA TYR 130 HA TYR 130 -1.390 -5.913 6.649 958 HB2 TYR 130 2HB TYR 130 1.137 -4.865 5.417 959 HB3 TYR 130 3HB TYR 130 -0.306 -3.860 5.356 960 HD1 TYR 130 HD2 TYR 130 1.201 -6.161 7.926 961 HD2 TYR 130 HD1 TYR 130 -0.283 -2.229 7.028 962 HE1 TYR 130 HE2 TYR 130 1.566 -5.482 10.280 963 HE2 TYR 130 HE1 TYR 130 0.085 -1.557 9.381 964 HH TYR 130 HH TYR 130 0.207 -3.160 11.749 965 H LEU 131 H LEU 131 0.229 -6.571 3.561 966 HA LEU 131 HA LEU 131 -1.817 -5.499 1.880 967 HB2 LEU 131 2HB LEU 131 0.241 -7.674 1.465 968 HB3 LEU 131 3HB LEU 131 -0.820 -7.125 0.171 969 HG LEU 131 HG LEU 131 0.906 -5.218 1.773 970 HD11 LEU 131 1HD1 LEU 131 2.483 -5.311 -0.182 971 HD12 LEU 131 2HD1 LEU 131 1.584 -6.704 -0.784 972 HD13 LEU 131 3HD1 LEU 131 2.436 -6.802 0.758 973 HD21 LEU 131 3HD2 LEU 131 0.667 -3.958 -0.508 974 HD22 LEU 131 1HD2 LEU 131 -0.718 -3.976 0.577 975 HD23 LEU 131 2HD2 LEU 131 -0.671 -5.066 -0.807 976 H GLY 132 H GLY 132 -1.328 -8.721 3.241 977 HA2 GLY 132 2HA GLY 132 -3.567 -9.950 1.915 978 HA3 GLY 132 3HA GLY 132 -2.771 -10.564 3.364 979 H ARG 133 H ARG 133 -3.204 -8.392 5.089 980 HA ARG 133 HA ARG 133 -5.897 -8.911 5.969 981 HB2 ARG 133 2HB ARG 133 -4.036 -8.265 7.501 982 HB3 ARG 133 3HB ARG 133 -4.048 -6.653 6.787 983 HG2 ARG 133 2HG ARG 133 -6.376 -6.329 7.504 984 HG3 ARG 133 3HG ARG 133 -6.406 -7.958 8.181 985 HD2 ARG 133 2HD ARG 133 -4.504 -7.294 9.687 986 HD3 ARG 133 3HD ARG 133 -4.674 -5.642 9.093 987 HE ARG 133 HE ARG 133 -7.226 -6.528 10.000 988 HH11 ARG 133 1HH2 ARG 133 -4.068 -5.766 11.174 989 HH12 ARG 133 2HH2 ARG 133 -4.635 -5.230 12.719 990 HH21 ARG 133 1HH1 ARG 133 -7.970 -5.833 12.006 991 HH22 ARG 133 2HH1 ARG 133 -6.840 -5.268 13.190 992 H LEU 134 H LEU 134 -4.377 -6.203 4.274 993 HA LEU 134 HA LEU 134 -6.635 -4.467 4.300 994 HB2 LEU 134 2HB LEU 134 -4.406 -3.669 3.652 995 HB3 LEU 134 3HB LEU 134 -4.418 -4.730 2.245 996 HG LEU 134 HG LEU 134 -6.304 -3.503 1.285 997 HD11 LEU 134 1HD1 LEU 134 -6.258 -2.112 3.956 998 HD12 LEU 134 2HD1 LEU 134 -7.631 -2.783 3.077 999 HD13 LEU 134 3HD1 LEU 134 -6.894 -1.278 2.538 1000 HD21 LEU 134 3HD2 LEU 134 -5.190 -1.350 0.878 1001 HD22 LEU 134 1HD2 LEU 134 -4.011 -2.659 0.867 1002 HD23 LEU 134 2HD2 LEU 134 -4.149 -1.611 2.278 1003 H THR 135 H THR 135 -5.661 -7.008 2.035 1004 HA THR 135 HA THR 135 -7.666 -6.551 0.060 1005 HB THR 135 HB THR 135 -6.588 -9.264 0.852 1006 HG1 THR 135 HG1 THR 135 -4.749 -8.260 0.526 1007 HG21 THR 135 3HG2 THR 135 -8.419 -9.106 -0.859 1008 HG22 THR 135 1HG2 THR 135 -6.920 -9.788 -1.490 1009 HG23 THR 135 2HG2 THR 135 -7.346 -8.113 -1.846 1010 H GLU 136 H GLU 136 -7.693 -8.542 3.000 1011 HA GLU 136 HA GLU 136 -10.244 -9.747 2.646 1012 HB2 GLU 136 2HB GLU 136 -8.605 -10.374 4.427 1013 HB3 GLU 136 3HB GLU 136 -8.967 -8.856 5.249 1014 HG2 GLU 136 2HG GLU 136 -11.318 -9.516 5.487 1015 HG3 GLU 136 3HG GLU 136 -10.998 -11.017 4.618 1016 H VAL 137 H VAL 137 -9.328 -6.617 4.029 1017 HA VAL 137 HA VAL 137 -11.947 -5.849 4.918 1018 HB VAL 137 HB VAL 137 -9.524 -4.236 4.112 1019 HG11 VAL 137 1HG1 VAL 137 -11.344 -2.732 3.782 1020 HG12 VAL 137 2HG1 VAL 137 -10.765 -2.388 5.411 1021 HG13 VAL 137 3HG1 VAL 137 -12.216 -3.362 5.178 1022 HG21 VAL 137 3HG2 VAL 137 -9.381 -5.668 6.155 1023 HG22 VAL 137 1HG2 VAL 137 -10.782 -4.819 6.814 1024 HG23 VAL 137 2HG2 VAL 137 -9.276 -3.947 6.522 1025 H ALA 138 H ALA 138 -10.211 -5.287 1.869 1026 HA ALA 138 HA ALA 138 -12.235 -3.678 0.637 1027 HB1 ALA 138 3HB ALA 138 -11.117 -4.386 -1.503 1028 HB2 ALA 138 1HB ALA 138 -10.132 -5.501 -0.558 1029 HB3 ALA 138 2HB ALA 138 -9.993 -3.763 -0.294 1030 H ALA 139 H ALA 139 -11.647 -7.188 0.564 1031 HA ALA 139 HA ALA 139 -14.131 -7.602 -1.007 1032 HB1 ALA 139 3HB ALA 139 -12.174 -9.643 0.088 1033 HB2 ALA 139 1HB ALA 139 -12.044 -8.902 -1.506 1034 HB3 ALA 139 2HB ALA 139 -13.425 -9.930 -1.122 1035 H GLY 140 H GLY 140 -13.324 -7.209 2.207 1036 HA2 GLY 140 2HA GLY 140 -15.928 -8.036 3.123 1037 HA3 GLY 140 3HA GLY 140 -14.711 -9.224 3.601 1038 H ARG 141 H ARG 141 -16.021 -6.108 4.223 1039 HA ARG 141 HA ARG 141 -14.190 -4.580 5.542 1040 HB2 ARG 141 2HB ARG 141 -16.864 -5.395 6.703 1041 HB3 ARG 141 3HB ARG 141 -15.943 -3.965 7.169 1042 HG2 ARG 141 2HG ARG 141 -16.727 -4.432 4.292 1043 HG3 ARG 141 3HG ARG 141 -17.850 -3.683 5.425 1044 HD2 ARG 141 2HD ARG 141 -16.155 -1.954 5.951 1045 HD3 ARG 141 3HD ARG 141 -15.064 -2.669 4.771 1046 HE ARG 141 HE ARG 141 -17.510 -1.138 4.163 1047 HH11 ARG 141 1HH2 ARG 141 -14.953 -3.212 3.098 1048 HH12 ARG 141 2HH2 ARG 141 -15.102 -2.746 1.438 1049 HH21 ARG 141 1HH1 ARG 141 -17.707 -0.535 2.017 1050 HH22 ARG 141 2HH1 ARG 141 -16.661 -1.234 0.826 1051 H ASP 142 H ASP 142 -16.002 -7.005 7.417 1052 HA ASP 142 HA ASP 142 -14.798 -7.188 9.788 1053 HB2 ASP 142 2HB ASP 142 -14.804 -9.695 9.638 1054 HB3 ASP 142 3HB ASP 142 -16.309 -8.920 9.151 1055 HA PRO 143 HA PRO 143 -10.448 -6.997 8.235 1056 HB2 PRO 143 2HB PRO 143 -10.034 -6.179 11.077 1057 HB3 PRO 143 3HB PRO 143 -9.464 -5.403 9.587 1058 HG2 PRO 143 2HG PRO 143 -11.465 -4.372 11.032 1059 HG3 PRO 143 3HG PRO 143 -11.445 -4.274 9.261 1060 HD2 PRO 143 2HD PRO 143 -13.058 -6.078 11.031 1061 HD3 PRO 143 3HD PRO 143 -13.502 -5.314 9.493 1062 H GLY 144 H GLY 144 -8.548 -8.193 8.857 1063 HA2 GLY 144 2HA GLY 144 -8.867 -10.860 9.514 1064 HA3 GLY 144 3HA GLY 144 -7.366 -9.983 9.802 1065 HA PRO 145 HA PRO 145 -9.366 -11.400 13.853 1066 HB2 PRO 145 2HB PRO 145 -7.189 -12.945 14.668 1067 HB3 PRO 145 3HB PRO 145 -8.623 -13.583 13.842 1068 HG2 PRO 145 2HG PRO 145 -5.926 -12.982 12.749 1069 HG3 PRO 145 3HG PRO 145 -7.080 -14.240 12.279 1070 HD2 PRO 145 2HD PRO 145 -6.663 -11.929 10.830 1071 HD3 PRO 145 3HD PRO 145 -8.179 -12.853 10.787 1072 H ASP 146 H ASP 146 -7.238 -9.309 12.761 1073 HA ASP 146 HA ASP 146 -5.917 -7.629 13.693 1074 HB2 ASP 146 2HB ASP 146 -8.115 -7.436 15.003 1075 HB3 ASP 146 3HB ASP 146 -7.276 -8.267 16.315 1076 HA PRO 147 HA PRO 147 -3.299 -11.081 15.654 1077 HB2 PRO 147 2HB PRO 147 -1.403 -11.155 13.635 1078 HB3 PRO 147 3HB PRO 147 -2.840 -12.196 13.694 1079 HG2 PRO 147 2HG PRO 147 -2.395 -9.673 12.156 1080 HG3 PRO 147 3HG PRO 147 -3.196 -11.172 11.653 1081 HD2 PRO 147 2HD PRO 147 -4.606 -8.980 12.394 1082 HD3 PRO 147 3HD PRO 147 -5.194 -10.623 12.723 1083 H PHE 148 H PHE 148 -1.331 -10.761 16.737 1084 HA PHE 148 HA PHE 148 -0.565 -8.016 17.207 1085 HB2 PHE 148 2HB PHE 148 1.079 -8.945 18.753 1086 HB3 PHE 148 3HB PHE 148 -0.460 -9.778 18.956 1087 HD1 PHE 148 HD2 PHE 148 2.986 -10.060 17.655 1088 HD2 PHE 148 HD1 PHE 148 -0.741 -12.104 18.285 1089 HE1 PHE 148 HE2 PHE 148 4.099 -12.231 17.202 1090 HE2 PHE 148 HE1 PHE 148 0.375 -14.273 17.834 1091 HZ PHE 148 HZ PHE 148 2.792 -14.337 17.293 1092 H TYR 149 H TYR 149 1.134 -6.886 16.427 1093 HA TYR 149 HA TYR 149 3.253 -8.231 14.854 1094 HB2 TYR 149 2HB TYR 149 1.540 -7.646 13.183 1095 HB3 TYR 149 3HB TYR 149 1.520 -5.984 13.772 1096 HD1 TYR 149 HD2 TYR 149 3.758 -8.588 12.311 1097 HD2 TYR 149 HD1 TYR 149 3.071 -4.399 12.951 1098 HE1 TYR 149 HE2 TYR 149 5.672 -8.049 10.828 1099 HE2 TYR 149 HE1 TYR 149 4.984 -3.857 11.470 1100 HH TYR 149 HH TYR 149 6.423 -4.705 9.946 1101 H GLY 150 H GLY 150 2.234 -5.956 17.101 1102 HA2 GLY 150 2HA GLY 150 4.752 -5.048 17.865 1103 HA3 GLY 150 3HA GLY 150 4.239 -3.900 16.628 1104 H ARG 151 H ARG 151 3.944 -2.151 17.991 1105 HA ARG 151 HA ARG 151 2.875 -0.765 19.532 1106 HB2 ARG 151 2HB ARG 151 0.635 -2.710 18.932 1107 HB3 ARG 151 3HB ARG 151 0.426 -1.238 19.882 1108 HG2 ARG 151 2HG ARG 151 1.193 0.124 18.003 1109 HG3 ARG 151 3HG ARG 151 1.506 -1.326 17.050 1110 HD2 ARG 151 2HD ARG 151 -0.650 -0.393 16.391 1111 HD3 ARG 151 3HD ARG 151 -0.909 -1.921 17.231 1112 HE ARG 151 HE ARG 151 -1.873 -0.728 19.054 1113 HH11 ARG 151 1HH2 ARG 151 -0.449 1.358 16.693 1114 HH12 ARG 151 2HH2 ARG 151 -1.165 2.791 17.349 1115 HH21 ARG 151 1HH1 ARG 151 -2.806 1.130 19.905 1116 HH22 ARG 151 2HH1 ARG 151 -2.495 2.663 19.163 1117 H ARG 152 H ARG 152 1.516 -0.854 21.676 1118 HA ARG 152 HA ARG 152 3.049 -2.502 23.520 1119 HB2 ARG 152 2HB ARG 152 2.374 -0.179 24.055 1120 HB3 ARG 152 3HB ARG 152 0.685 -0.685 24.054 1121 HG2 ARG 152 2HG ARG 152 1.145 -2.265 25.888 1122 HG3 ARG 152 3HG ARG 152 2.844 -1.793 25.876 1123 HD2 ARG 152 2HD ARG 152 2.110 0.568 26.359 1124 HD3 ARG 152 3HD ARG 152 0.467 -0.044 26.559 1125 HE ARG 152 HE ARG 152 2.384 -1.483 28.204 1126 HH11 ARG 152 1HH2 ARG 152 0.422 1.344 27.908 1127 HH12 ARG 152 2HH2 ARG 152 0.313 1.599 29.617 1128 HH21 ARG 152 1HH1 ARG 152 2.250 -1.158 30.422 1129 HH22 ARG 152 2HH1 ARG 152 1.346 0.185 31.040 1130 H LEU 153 H LEU 153 2.308 -4.170 24.812 1131 HA LEU 153 HA LEU 153 0.135 -5.774 23.726 1132 HB2 LEU 153 2HB LEU 153 2.079 -6.077 26.009 1133 HB3 LEU 153 3HB LEU 153 0.727 -7.196 25.839 1134 HG LEU 153 HG LEU 153 1.453 -7.732 23.545 1135 HD11 LEU 153 1HD1 LEU 153 3.590 -5.694 24.189 1136 HD12 LEU 153 2HD1 LEU 153 2.499 -5.732 22.804 1137 HD13 LEU 153 3HD1 LEU 153 3.808 -6.905 22.926 1138 HD21 LEU 153 3HD2 LEU 153 2.340 -9.014 25.504 1139 HD22 LEU 153 1HD2 LEU 153 3.742 -7.945 25.527 1140 HD23 LEU 153 2HD2 LEU 153 3.455 -8.993 24.138 1141 H GLU 154 H GLU 154 -1.831 -6.240 24.688 1142 HA GLU 154 HA GLU 154 -2.898 -4.170 26.475 1143 HB2 GLU 154 2HB GLU 154 -4.140 -6.561 25.098 1144 HB3 GLU 154 3HB GLU 154 -5.049 -5.456 26.129 1145 HG2 GLU 154 2HG GLU 154 -4.422 -3.566 24.688 1146 HG3 GLU 154 3HG GLU 154 -3.468 -4.645 23.672 1147 H HIS 155 H HIS 155 -4.289 -4.874 28.355 1148 HA HIS 155 HA HIS 155 -2.773 -6.830 29.997 1149 HB2 HIS 155 2HB HIS 155 -4.901 -4.803 30.722 1150 HB3 HIS 155 3HB HIS 155 -4.086 -5.855 31.878 1151 HD1 HIS 155 HD1 HIS 155 -1.366 -5.594 31.906 1152 HD2 HIS 155 HD2 HIS 155 -3.512 -2.459 30.188 1153 HE1 HIS 155 HE1 HIS 155 0.205 -3.610 31.824 1154 H HIS 156 H HIS 156 -3.613 -8.726 30.673 1155 HA HIS 156 HA HIS 156 -6.012 -9.756 29.423 1156 HB2 HIS 156 2HB HIS 156 -4.162 -10.846 31.557 1157 HB3 HIS 156 3HB HIS 156 -5.531 -11.754 30.914 1158 HD1 HIS 156 HD1 HIS 156 -2.214 -10.266 29.863 1159 HD2 HIS 156 HD2 HIS 156 -5.141 -12.812 28.334 1160 HE1 HIS 156 HE1 HIS 156 -1.258 -11.266 27.741 1161 H HIS 157 H HIS 157 -8.039 -9.914 30.252 1162 HA HIS 157 HA HIS 157 -8.648 -8.486 32.753 1163 HB2 HIS 157 2HB HIS 157 -10.369 -9.836 30.656 1164 HB3 HIS 157 3HB HIS 157 -11.023 -9.004 32.066 1165 HD1 HIS 157 HD1 HIS 157 -10.266 -6.390 32.274 1166 HD2 HIS 157 HD2 HIS 157 -9.820 -8.147 28.519 1167 HE1 HIS 157 HE1 HIS 157 -10.017 -4.489 30.619 1168 H HIS 158 H HIS 158 -8.015 -11.692 31.765 1169 HA HIS 158 HA HIS 158 -9.702 -13.154 33.580 1170 HB2 HIS 158 2HB HIS 158 -8.510 -14.213 31.681 1171 HB3 HIS 158 3HB HIS 158 -6.971 -13.886 32.478 1172 HD1 HIS 158 HD1 HIS 158 -10.227 -15.738 33.193 1173 HD2 HIS 158 HD2 HIS 158 -6.188 -15.895 34.213 1174 HE1 HIS 158 HE1 HIS 158 -9.927 -17.814 34.611 1175 H HIS 159 H HIS 159 -6.430 -11.835 33.863 1176 HA HIS 159 HA HIS 159 -5.004 -11.637 35.724 1177 HB2 HIS 159 2HB HIS 159 -7.730 -10.997 36.870 1178 HB3 HIS 159 3HB HIS 159 -6.237 -10.797 37.789 1179 HD1 HIS 159 HD1 HIS 159 -8.212 -9.306 35.001 1180 HD2 HIS 159 HD2 HIS 159 -4.480 -8.750 36.775 1181 HE1 HIS 159 HE1 HIS 159 -7.336 -7.086 34.148 1182 H HIS 160 H HIS 160 -5.024 -12.256 38.293 1183 HA HIS 160 HA HIS 160 -6.260 -14.795 38.942 1184 HB2 HIS 160 2HB HIS 160 -4.243 -16.184 38.919 1185 HB3 HIS 160 3HB HIS 160 -4.538 -15.553 37.299 1186 HD1 HIS 160 HD1 HIS 160 -3.078 -13.363 36.640 1187 HD2 HIS 160 HD2 HIS 160 -1.757 -15.506 39.965 1188 HE1 HIS 160 HE1 HIS 160 -0.688 -12.634 37.060 Start of MODEL 14 1 H1 MET 1 1H MET 1 28.686 -5.735 -8.746 2 H2 MET 1 2H MET 1 29.808 -4.831 -7.846 3 H3 MET 1 3H MET 1 29.337 -4.309 -9.392 4 HA MET 1 HA MET 1 27.752 -4.322 -6.897 5 HB2 MET 1 2HB MET 1 28.515 -2.205 -8.935 6 HB3 MET 1 3HB MET 1 27.418 -1.928 -7.580 7 HG2 MET 1 2HG MET 1 30.276 -2.901 -7.299 8 HG3 MET 1 3HG MET 1 29.772 -1.227 -7.084 9 HE1 MET 1 3HE MET 1 26.821 -1.635 -5.327 10 HE2 MET 1 1HE MET 1 28.079 -0.447 -5.694 11 HE3 MET 1 2HE MET 1 27.810 -0.964 -4.034 12 H GLU 2 H GLU 2 25.851 -5.322 -7.240 13 HA GLU 2 HA GLU 2 24.641 -5.684 -9.814 14 HB2 GLU 2 2HB GLU 2 22.685 -6.493 -8.525 15 HB3 GLU 2 3HB GLU 2 24.192 -7.201 -7.944 16 HG2 GLU 2 2HG GLU 2 24.282 -5.506 -6.138 17 HG3 GLU 2 3HG GLU 2 22.755 -4.832 -6.707 18 H LYS 3 H LYS 3 22.985 -4.575 -10.825 19 HA LYS 3 HA LYS 3 21.900 -2.125 -9.496 20 HB2 LYS 3 2HB LYS 3 23.776 -1.516 -11.053 21 HB3 LYS 3 3HB LYS 3 22.867 -2.267 -12.367 22 HG2 LYS 3 2HG LYS 3 21.013 -0.718 -12.026 23 HG3 LYS 3 3HG LYS 3 21.837 0.003 -10.642 24 HD2 LYS 3 2HD LYS 3 23.686 0.715 -12.122 25 HD3 LYS 3 3HD LYS 3 22.846 0.010 -13.504 26 HE2 LYS 3 2HE LYS 3 22.263 2.311 -13.568 27 HE3 LYS 3 3HE LYS 3 20.862 1.522 -12.840 28 HZ1 LYS 3 3HZ LYS 3 21.434 2.262 -10.738 29 HZ2 LYS 3 1HZ LYS 3 21.822 3.596 -11.711 30 HZ3 LYS 3 2HZ LYS 3 23.052 2.564 -11.160 31 H ALA 4 H ALA 4 21.638 -4.140 -12.450 32 HA ALA 4 HA ALA 4 18.865 -3.509 -12.875 33 HB1 ALA 4 3HB ALA 4 20.470 -5.878 -13.863 34 HB2 ALA 4 1HB ALA 4 20.333 -4.319 -14.676 35 HB3 ALA 4 2HB ALA 4 18.914 -5.351 -14.504 36 H MET 5 H MET 5 17.007 -4.646 -12.353 37 HA MET 5 HA MET 5 15.627 -5.900 -10.940 38 HB2 MET 5 2HB MET 5 17.755 -8.002 -11.463 39 HB3 MET 5 3HB MET 5 16.118 -8.308 -10.882 40 HG2 MET 5 2HG MET 5 15.260 -7.174 -12.973 41 HG3 MET 5 3HG MET 5 16.920 -7.161 -13.566 42 HE1 MET 5 3HE MET 5 16.175 -10.008 -15.794 43 HE2 MET 5 1HE MET 5 17.373 -8.776 -15.375 44 HE3 MET 5 2HE MET 5 15.685 -8.325 -15.608 45 HA PRO 6 HA PRO 6 18.645 -5.351 -7.365 46 HB2 PRO 6 2HB PRO 6 17.671 -3.030 -6.342 47 HB3 PRO 6 3HB PRO 6 18.845 -3.057 -7.674 48 HG2 PRO 6 2HG PRO 6 15.872 -2.722 -7.786 49 HG3 PRO 6 3HG PRO 6 17.135 -1.814 -8.638 50 HD2 PRO 6 2HD PRO 6 15.734 -3.841 -9.827 51 HD3 PRO 6 3HD PRO 6 17.417 -3.461 -10.258 52 H GLU 7 H GLU 7 18.175 -5.845 -5.179 53 HA GLU 7 HA GLU 7 15.417 -5.788 -4.209 54 HB2 GLU 7 2HB GLU 7 15.546 -7.917 -5.525 55 HB3 GLU 7 3HB GLU 7 16.858 -8.444 -4.469 56 HG2 GLU 7 2HG GLU 7 15.403 -8.299 -2.521 57 HG3 GLU 7 3HG GLU 7 14.102 -7.650 -3.516 58 H SER 8 H SER 8 16.800 -4.302 -2.848 59 HA SER 8 HA SER 8 17.639 -5.713 -0.422 60 HB2 SER 8 2HB SER 8 19.665 -3.862 -1.674 61 HB3 SER 8 3HB SER 8 19.893 -5.003 -0.352 62 HG SER 8 HG SER 8 20.022 -6.614 -1.748 63 H PHE 9 H PHE 9 18.100 -2.508 -1.923 64 HA PHE 9 HA PHE 9 17.112 -1.242 0.585 65 HB2 PHE 9 2HB PHE 9 18.427 -0.089 -1.893 66 HB3 PHE 9 3HB PHE 9 17.896 0.874 -0.513 67 HD1 PHE 9 HD1 PHE 9 18.992 0.645 1.683 68 HD2 PHE 9 HD2 PHE 9 20.368 -1.539 -1.750 69 HE1 PHE 9 HE1 PHE 9 21.105 0.116 2.867 70 HE2 PHE 9 HE2 PHE 9 22.481 -2.069 -0.567 71 HZ PHE 9 HZ PHE 9 22.850 -1.241 1.743 72 H VAL 10 H VAL 10 15.873 -2.291 -2.345 73 HA VAL 10 HA VAL 10 13.549 -0.409 -2.106 74 HB VAL 10 HB VAL 10 14.937 -1.347 -4.631 75 HG11 VAL 10 1HG1 VAL 10 13.071 0.053 -5.726 76 HG12 VAL 10 2HG1 VAL 10 12.217 -0.098 -4.190 77 HG13 VAL 10 3HG1 VAL 10 12.615 -1.540 -5.123 78 HG21 VAL 10 3HG2 VAL 10 14.338 1.382 -3.448 79 HG22 VAL 10 1HG2 VAL 10 15.049 1.117 -5.040 80 HG23 VAL 10 2HG2 VAL 10 15.927 0.629 -3.588 81 H VAL 11 H VAL 11 11.599 -1.439 -2.070 82 HA VAL 11 HA VAL 11 11.562 -4.378 -2.689 83 HB VAL 11 HB VAL 11 10.141 -2.799 -0.533 84 HG11 VAL 11 1HG1 VAL 11 8.477 -4.297 -1.360 85 HG12 VAL 11 2HG1 VAL 11 9.176 -5.106 0.042 86 HG13 VAL 11 3HG1 VAL 11 9.653 -5.594 -1.585 87 HG21 VAL 11 3HG2 VAL 11 11.266 -4.513 0.911 88 HG22 VAL 11 1HG2 VAL 11 12.406 -3.497 0.029 89 HG23 VAL 11 2HG2 VAL 11 12.074 -5.137 -0.527 90 H ARG 12 H ARG 12 10.078 -5.008 -4.169 91 HA ARG 12 HA ARG 12 7.913 -3.078 -4.946 92 HB2 ARG 12 2HB ARG 12 9.599 -4.885 -6.701 93 HB3 ARG 12 3HB ARG 12 8.170 -4.016 -7.262 94 HG2 ARG 12 2HG ARG 12 9.203 -1.877 -6.684 95 HG3 ARG 12 3HG ARG 12 10.609 -2.709 -6.021 96 HD2 ARG 12 2HD ARG 12 11.131 -1.947 -8.276 97 HD3 ARG 12 3HD ARG 12 11.028 -3.707 -8.274 98 HE ARG 12 HE ARG 12 8.471 -2.564 -8.926 99 HH11 ARG 12 1HH2 ARG 12 11.644 -3.150 -10.147 100 HH12 ARG 12 2HH2 ARG 12 11.130 -3.240 -11.799 101 HH21 ARG 12 1HH1 ARG 12 7.791 -2.676 -11.070 102 HH22 ARG 12 2HH1 ARG 12 8.951 -2.973 -12.322 103 H ARG 13 H ARG 13 5.946 -3.939 -4.587 104 HA ARG 13 HA ARG 13 5.512 -6.848 -5.029 105 HB2 ARG 13 2HB ARG 13 4.974 -5.350 -2.458 106 HB3 ARG 13 3HB ARG 13 4.129 -6.844 -2.865 107 HG2 ARG 13 2HG ARG 13 6.228 -8.053 -3.021 108 HG3 ARG 13 3HG ARG 13 7.145 -6.565 -2.787 109 HD2 ARG 13 2HD ARG 13 5.158 -7.582 -0.748 110 HD3 ARG 13 3HD ARG 13 6.863 -8.033 -0.718 111 HE ARG 13 HE ARG 13 6.692 -5.198 -0.893 112 HH11 ARG 13 1HH2 ARG 13 6.010 -7.819 1.238 113 HH12 ARG 13 2HH2 ARG 13 6.262 -6.887 2.675 114 HH21 ARG 13 1HH1 ARG 13 7.031 -3.973 0.964 115 HH22 ARG 13 2HH1 ARG 13 6.844 -4.708 2.520 116 H GLU 14 H GLU 14 3.251 -7.376 -5.301 117 HA GLU 14 HA GLU 14 1.449 -5.042 -5.798 118 HB2 GLU 14 2HB GLU 14 2.002 -7.361 -7.672 119 HB3 GLU 14 3HB GLU 14 0.668 -6.230 -7.872 120 HG2 GLU 14 2HG GLU 14 2.327 -5.288 -9.237 121 HG3 GLU 14 3HG GLU 14 2.530 -4.384 -7.740 122 H ALA 15 H ALA 15 -0.833 -5.687 -5.882 123 HA ALA 15 HA ALA 15 -1.502 -8.358 -4.825 124 HB1 ALA 15 3HB ALA 15 -2.811 -7.341 -2.935 125 HB2 ALA 15 1HB ALA 15 -2.045 -5.795 -3.300 126 HB3 ALA 15 2HB ALA 15 -1.066 -7.159 -2.761 127 H HIS 16 H HIS 16 -3.790 -8.790 -4.994 128 HA HIS 16 HA HIS 16 -5.201 -6.972 -6.915 129 HB2 HIS 16 2HB HIS 16 -4.675 -9.262 -7.731 130 HB3 HIS 16 3HB HIS 16 -5.613 -9.927 -6.394 131 HD1 HIS 16 HD1 HIS 16 -6.158 -7.410 -9.218 132 HD2 HIS 16 HD2 HIS 16 -8.257 -10.306 -7.077 133 HE1 HIS 16 HE1 HIS 16 -8.465 -7.533 -10.252 134 H LEU 17 H LEU 17 -6.862 -5.872 -6.034 135 HA LEU 17 HA LEU 17 -8.253 -7.019 -3.638 136 HB2 LEU 17 2HB LEU 17 -7.849 -4.129 -4.459 137 HB3 LEU 17 3HB LEU 17 -8.810 -4.664 -3.082 138 HG LEU 17 HG LEU 17 -6.535 -5.978 -2.475 139 HD11 LEU 17 1HD1 LEU 17 -5.608 -3.565 -4.062 140 HD12 LEU 17 2HD1 LEU 17 -5.281 -5.253 -4.445 141 HD13 LEU 17 3HD1 LEU 17 -4.582 -4.526 -3.001 142 HD21 LEU 17 3HD2 LEU 17 -7.537 -4.443 -0.934 143 HD22 LEU 17 1HD2 LEU 17 -7.161 -3.061 -1.963 144 HD23 LEU 17 2HD2 LEU 17 -5.863 -3.926 -1.140 145 H ALA 18 H ALA 18 -10.400 -7.308 -3.763 146 HA ALA 18 HA ALA 18 -11.699 -6.920 -6.359 147 HB1 ALA 18 3HB ALA 18 -13.550 -8.169 -5.345 148 HB2 ALA 18 1HB ALA 18 -12.785 -8.045 -3.762 149 HB3 ALA 18 2HB ALA 18 -12.021 -8.992 -5.038 150 H ALA 19 H ALA 19 -11.680 -4.571 -6.338 151 HA ALA 19 HA ALA 19 -14.115 -3.378 -5.669 152 HB1 ALA 19 3HB ALA 19 -12.103 -3.303 -3.443 153 HB2 ALA 19 1HB ALA 19 -13.864 -3.381 -3.355 154 HB3 ALA 19 2HB ALA 19 -13.065 -1.854 -3.722 155 HA PRO 20 HA PRO 20 -12.294 -0.310 -8.271 156 HB2 PRO 20 2HB PRO 20 -13.597 1.996 -7.383 157 HB3 PRO 20 3HB PRO 20 -14.301 0.801 -8.488 158 HG2 PRO 20 2HG PRO 20 -14.687 1.112 -5.546 159 HG3 PRO 20 3HG PRO 20 -15.864 0.677 -6.801 160 HD2 PRO 20 2HD PRO 20 -14.779 -1.186 -5.155 161 HD3 PRO 20 3HD PRO 20 -15.199 -1.557 -6.841 162 HA PRO 21 HA PRO 21 -8.929 1.644 -6.136 163 HB2 PRO 21 2HB PRO 21 -8.472 3.866 -7.702 164 HB3 PRO 21 3HB PRO 21 -8.014 2.228 -8.185 165 HG2 PRO 21 2HG PRO 21 -10.398 3.836 -8.987 166 HG3 PRO 21 3HG PRO 21 -9.376 2.771 -9.970 167 HD2 PRO 21 2HD PRO 21 -11.814 1.987 -9.029 168 HD3 PRO 21 3HD PRO 21 -10.473 0.841 -9.263 169 H ALA 22 H ALA 22 -11.828 3.490 -6.743 170 HA ALA 22 HA ALA 22 -11.226 5.828 -5.220 171 HB1 ALA 22 3HB ALA 22 -13.599 6.228 -5.226 172 HB2 ALA 22 1HB ALA 22 -13.937 4.517 -5.484 173 HB3 ALA 22 2HB ALA 22 -13.201 5.473 -6.771 174 H ALA 23 H ALA 23 -12.841 2.789 -4.275 175 HA ALA 23 HA ALA 23 -13.185 3.538 -1.515 176 HB1 ALA 23 3HB ALA 23 -14.530 1.750 -2.423 177 HB2 ALA 23 1HB ALA 23 -13.478 1.043 -1.196 178 HB3 ALA 23 2HB ALA 23 -13.091 0.852 -2.905 179 H VAL 24 H VAL 24 -10.686 1.725 -3.257 180 HA VAL 24 HA VAL 24 -9.133 0.991 -0.960 181 HB VAL 24 HB VAL 24 -8.334 1.430 -3.845 182 HG11 VAL 24 1HG1 VAL 24 -6.328 1.551 -2.541 183 HG12 VAL 24 2HG1 VAL 24 -6.403 -0.089 -3.183 184 HG13 VAL 24 3HG1 VAL 24 -6.846 0.221 -1.505 185 HG21 VAL 24 3HG2 VAL 24 -8.434 -1.058 -3.915 186 HG22 VAL 24 1HG2 VAL 24 -10.000 -0.333 -3.552 187 HG23 VAL 24 2HG2 VAL 24 -9.043 -1.057 -2.260 188 H PHE 25 H PHE 25 -8.920 3.749 -3.197 189 HA PHE 25 HA PHE 25 -6.623 4.977 -2.044 190 HB2 PHE 25 2HB PHE 25 -7.548 5.681 -4.209 191 HB3 PHE 25 3HB PHE 25 -9.014 6.251 -3.412 192 HD1 PHE 25 HD2 PHE 25 -5.306 6.712 -3.448 193 HD2 PHE 25 HD1 PHE 25 -9.133 8.449 -2.558 194 HE1 PHE 25 HE2 PHE 25 -4.213 8.892 -3.002 195 HE2 PHE 25 HE1 PHE 25 -8.039 10.630 -2.112 196 HZ PHE 25 HZ PHE 25 -5.579 10.850 -2.333 197 H ALA 26 H ALA 26 -10.090 5.432 -1.346 198 HA ALA 26 HA ALA 26 -9.806 7.456 0.630 199 HB1 ALA 26 3HB ALA 26 -12.033 6.848 1.333 200 HB2 ALA 26 1HB ALA 26 -11.861 5.235 0.645 201 HB3 ALA 26 2HB ALA 26 -11.963 6.639 -0.419 202 H LEU 27 H LEU 27 -9.941 3.912 0.987 203 HA LEU 27 HA LEU 27 -9.564 3.888 3.831 204 HB2 LEU 27 2HB LEU 27 -8.973 1.830 1.695 205 HB3 LEU 27 3HB LEU 27 -8.837 1.500 3.420 206 HG LEU 27 HG LEU 27 -11.361 2.513 2.078 207 HD11 LEU 27 1HD1 LEU 27 -12.181 0.163 2.402 208 HD12 LEU 27 2HD1 LEU 27 -10.538 -0.304 2.842 209 HD13 LEU 27 3HD1 LEU 27 -10.878 0.297 1.219 210 HD21 LEU 27 3HD2 LEU 27 -11.643 3.046 4.332 211 HD22 LEU 27 1HD2 LEU 27 -10.624 1.718 4.887 212 HD23 LEU 27 2HD2 LEU 27 -12.262 1.399 4.326 213 H MET 28 H MET 28 -7.306 3.731 1.115 214 HA MET 28 HA MET 28 -4.966 3.398 2.794 215 HB2 MET 28 2HB MET 28 -5.335 4.208 -0.096 216 HB3 MET 28 3HB MET 28 -3.755 3.980 0.650 217 HG2 MET 28 2HG MET 28 -5.920 1.862 0.610 218 HG3 MET 28 3HG MET 28 -4.621 1.946 -0.575 219 HE1 MET 28 3HE MET 28 -1.494 1.039 1.000 220 HE2 MET 28 1HE MET 28 -1.891 2.731 1.331 221 HE3 MET 28 2HE MET 28 -2.358 1.999 -0.200 222 H THR 29 H THR 29 -6.979 6.033 2.253 223 HA THR 29 HA THR 29 -4.781 7.949 2.965 224 HB THR 29 HB THR 29 -7.306 8.743 1.510 225 HG1 THR 29 HG1 THR 29 -5.068 7.418 0.575 226 HG21 THR 29 3HG2 THR 29 -4.527 9.937 1.736 227 HG22 THR 29 1HG2 THR 29 -5.983 10.529 2.536 228 HG23 THR 29 2HG2 THR 29 -5.846 10.616 0.780 229 H ASP 30 H ASP 30 -6.025 6.619 5.008 230 HA ASP 30 HA ASP 30 -7.289 8.828 6.412 231 HB2 ASP 30 2HB ASP 30 -8.921 6.438 5.560 232 HB3 ASP 30 3HB ASP 30 -9.333 7.361 7.007 233 HA PRO 31 HA PRO 31 -4.631 6.235 9.186 234 HB2 PRO 31 2HB PRO 31 -5.366 8.591 10.903 235 HB3 PRO 31 3HB PRO 31 -3.786 7.806 10.689 236 HG2 PRO 31 2HG PRO 31 -4.312 10.121 9.518 237 HG3 PRO 31 3HG PRO 31 -3.397 8.864 8.663 238 HD2 PRO 31 2HD PRO 31 -6.245 9.710 8.278 239 HD3 PRO 31 3HD PRO 31 -5.070 9.126 7.075 240 H GLU 32 H GLU 32 -7.721 7.781 9.880 241 HA GLU 32 HA GLU 32 -8.353 6.286 12.252 242 HB2 GLU 32 2HB GLU 32 -9.454 8.422 11.577 243 HB3 GLU 32 3HB GLU 32 -10.224 7.566 10.243 244 HG2 GLU 32 2HG GLU 32 -11.362 6.075 11.815 245 HG3 GLU 32 3HG GLU 32 -10.555 6.862 13.172 246 H LYS 33 H LYS 33 -9.101 5.799 8.814 247 HA LYS 33 HA LYS 33 -10.756 3.474 9.187 248 HB2 LYS 33 2HB LYS 33 -9.122 4.391 6.810 249 HB3 LYS 33 3HB LYS 33 -10.312 3.095 6.755 250 HG2 LYS 33 2HG LYS 33 -10.986 5.892 7.699 251 HG3 LYS 33 3HG LYS 33 -11.134 5.404 6.012 252 HD2 LYS 33 2HD LYS 33 -12.591 3.453 6.921 253 HD3 LYS 33 3HD LYS 33 -12.674 4.394 8.408 254 HE2 LYS 33 2HE LYS 33 -13.450 5.448 5.678 255 HE3 LYS 33 3HE LYS 33 -14.588 4.841 6.880 256 HZ1 LYS 33 3HZ LYS 33 -14.573 6.828 7.814 257 HZ2 LYS 33 1HZ LYS 33 -13.413 7.389 6.712 258 HZ3 LYS 33 2HZ LYS 33 -12.919 6.655 8.163 259 H ILE 34 H ILE 34 -7.300 3.945 8.973 260 HA ILE 34 HA ILE 34 -6.541 1.249 8.416 261 HB ILE 34 HB ILE 34 -5.132 3.431 9.975 262 HG12 ILE 34 2HG1 ILE 34 -4.687 2.372 7.164 263 HG13 ILE 34 3HG1 ILE 34 -5.611 3.824 7.537 264 HG21 ILE 34 1HG2 ILE 34 -3.074 2.015 9.493 265 HG22 ILE 34 2HG2 ILE 34 -4.171 0.706 9.054 266 HG23 ILE 34 3HG2 ILE 34 -4.170 1.345 10.699 267 HD11 ILE 34 3HD1 ILE 34 -3.598 4.866 7.229 268 HD12 ILE 34 1HD1 ILE 34 -2.676 3.397 7.548 269 HD13 ILE 34 2HD1 ILE 34 -3.290 4.359 8.889 270 H LEU 35 H LEU 35 -7.190 2.945 11.464 271 HA LEU 35 HA LEU 35 -6.433 0.919 13.278 272 HB2 LEU 35 2HB LEU 35 -8.839 2.742 13.555 273 HB3 LEU 35 3HB LEU 35 -7.919 2.004 14.864 274 HG LEU 35 HG LEU 35 -6.821 4.014 12.872 275 HD11 LEU 35 1HD1 LEU 35 -8.506 4.879 14.571 276 HD12 LEU 35 2HD1 LEU 35 -6.912 5.625 14.649 277 HD13 LEU 35 3HD1 LEU 35 -7.366 4.396 15.828 278 HD21 LEU 35 3HD2 LEU 35 -4.971 4.052 14.723 279 HD22 LEU 35 1HD2 LEU 35 -4.977 2.725 13.564 280 HD23 LEU 35 2HD2 LEU 35 -5.629 2.481 15.185 281 H ARG 36 H ARG 36 -9.296 1.200 11.254 282 HA ARG 36 HA ARG 36 -10.944 -0.737 12.541 283 HB2 ARG 36 2HB ARG 36 -11.567 0.842 10.618 284 HB3 ARG 36 3HB ARG 36 -10.797 -0.330 9.549 285 HG2 ARG 36 2HG ARG 36 -12.318 -2.084 10.310 286 HG3 ARG 36 3HG ARG 36 -13.055 -0.976 11.467 287 HD2 ARG 36 2HD ARG 36 -13.660 0.511 9.503 288 HD3 ARG 36 3HD ARG 36 -13.139 -0.799 8.443 289 HE ARG 36 HE ARG 36 -14.993 -1.868 10.313 290 HH11 ARG 36 1HH2 ARG 36 -14.808 0.344 7.670 291 HH12 ARG 36 2HH2 ARG 36 -16.458 0.112 7.195 292 HH21 ARG 36 1HH1 ARG 36 -17.146 -2.167 9.708 293 HH22 ARG 36 2HH1 ARG 36 -17.778 -1.305 8.345 294 H TRP 37 H TRP 37 -8.484 -1.108 9.985 295 HA TRP 37 HA TRP 37 -8.526 -4.067 10.489 296 HB2 TRP 37 2HB TRP 37 -7.747 -4.349 8.177 297 HB3 TRP 37 3HB TRP 37 -9.293 -3.506 8.224 298 HD1 TRP 37 HD1 TRP 37 -9.198 -0.804 7.915 299 HE1 TRP 37 HE1 TRP 37 -7.584 0.637 6.515 300 HE3 TRP 37 HE3 TRP 37 -5.373 -4.124 7.293 301 HZ2 TRP 37 HZ2 TRP 37 -5.004 0.412 5.295 302 HZ3 TRP 37 HZ3 TRP 37 -3.355 -3.484 6.008 303 HH2 TRP 37 HH2 TRP 37 -3.164 -1.227 5.011 304 H MET 38 H MET 38 -7.028 -3.363 12.251 305 HA MET 38 HA MET 38 -4.849 -3.690 13.049 306 HB2 MET 38 2HB MET 38 -4.564 -4.797 10.633 307 HB3 MET 38 3HB MET 38 -3.600 -3.353 10.338 308 HG2 MET 38 2HG MET 38 -2.094 -5.036 11.155 309 HG3 MET 38 3HG MET 38 -2.337 -3.895 12.478 310 HE1 MET 38 3HE MET 38 -2.106 -5.361 14.798 311 HE2 MET 38 1HE MET 38 -1.099 -5.888 13.442 312 HE3 MET 38 2HE MET 38 -1.943 -7.077 14.431 313 H GLY 39 H GLY 39 -3.806 -2.082 14.068 314 HA2 GLY 39 2HA GLY 39 -2.378 0.047 13.137 315 HA3 GLY 39 3HA GLY 39 -4.032 0.652 13.032 316 H THR 40 H THR 40 -5.312 -0.083 15.180 317 HA THR 40 HA THR 40 -5.622 0.802 17.352 318 HB THR 40 HB THR 40 -5.257 -1.328 18.149 319 HG1 THR 40 HG1 THR 40 -2.837 -0.774 19.211 320 HG21 THR 40 3HG2 THR 40 -3.834 -2.024 16.265 321 HG22 THR 40 1HG2 THR 40 -3.194 -2.618 17.795 322 HG23 THR 40 2HG2 THR 40 -2.451 -1.226 17.013 323 H GLU 41 H GLU 41 -5.086 2.945 17.364 324 HA GLU 41 HA GLU 41 -3.895 4.871 17.923 325 HB2 GLU 41 2HB GLU 41 -2.081 2.950 19.423 326 HB3 GLU 41 3HB GLU 41 -2.206 4.688 19.671 327 HG2 GLU 41 2HG GLU 41 -4.578 2.845 19.943 328 HG3 GLU 41 3HG GLU 41 -3.530 3.241 21.302 329 H ALA 42 H ALA 42 -3.138 5.394 15.862 330 HA ALA 42 HA ALA 42 -0.307 4.593 15.272 331 HB1 ALA 42 3HB ALA 42 -2.469 5.076 13.205 332 HB2 ALA 42 1HB ALA 42 -1.977 3.475 13.756 333 HB3 ALA 42 2HB ALA 42 -0.826 4.506 12.910 334 H GLU 43 H GLU 43 1.044 6.222 14.619 335 HA GLU 43 HA GLU 43 -0.046 8.985 14.814 336 HB2 GLU 43 2HB GLU 43 1.857 8.413 16.271 337 HB3 GLU 43 3HB GLU 43 2.819 7.989 14.854 338 HG2 GLU 43 2HG GLU 43 2.665 10.286 14.019 339 HG3 GLU 43 3HG GLU 43 1.613 10.727 15.363 340 H VAL 44 H VAL 44 0.428 10.547 13.226 341 HA VAL 44 HA VAL 44 1.577 9.575 10.651 342 HB VAL 44 HB VAL 44 -0.827 9.422 10.336 343 HG11 VAL 44 1HG1 VAL 44 -1.440 10.922 12.240 344 HG12 VAL 44 2HG1 VAL 44 -2.324 11.293 10.760 345 HG13 VAL 44 3HG1 VAL 44 -0.970 12.310 11.256 346 HG21 VAL 44 3HG2 VAL 44 -1.060 10.835 8.436 347 HG22 VAL 44 1HG2 VAL 44 0.673 10.541 8.573 348 HG23 VAL 44 2HG2 VAL 44 -0.009 12.070 9.127 349 H GLU 45 H GLU 45 2.764 11.165 9.584 350 HA GLU 45 HA GLU 45 2.968 13.826 10.957 351 HB2 GLU 45 2HB GLU 45 4.964 12.211 11.110 352 HB3 GLU 45 3HB GLU 45 5.179 12.499 9.384 353 HG2 GLU 45 2HG GLU 45 5.414 14.895 9.768 354 HG3 GLU 45 3HG GLU 45 5.070 14.685 11.484 355 HA PRO 46 HA PRO 46 1.258 14.578 6.695 356 HB2 PRO 46 2HB PRO 46 0.761 17.204 8.050 357 HB3 PRO 46 3HB PRO 46 -0.339 16.224 7.061 358 HG2 PRO 46 2HG PRO 46 -0.591 16.343 9.712 359 HG3 PRO 46 3HG PRO 46 -0.903 14.842 8.820 360 HD2 PRO 46 2HD PRO 46 1.463 15.574 10.506 361 HD3 PRO 46 3HD PRO 46 0.699 13.988 10.266 362 H GLU 47 H GLU 47 3.318 16.664 8.684 363 HA GLU 47 HA GLU 47 5.275 16.999 6.627 364 HB2 GLU 47 2HB GLU 47 3.174 18.556 6.001 365 HB3 GLU 47 3HB GLU 47 3.948 19.648 7.144 366 HG2 GLU 47 2HG GLU 47 5.178 18.467 4.640 367 HG3 GLU 47 3HG GLU 47 4.808 20.165 4.951 368 HA PRO 48 HA PRO 48 6.043 19.883 10.546 369 HB2 PRO 48 2HB PRO 48 4.299 18.372 12.458 370 HB3 PRO 48 3HB PRO 48 4.611 20.118 12.353 371 HG2 PRO 48 2HG PRO 48 2.311 19.164 11.513 372 HG3 PRO 48 3HG PRO 48 3.160 20.389 10.547 373 HD2 PRO 48 2HD PRO 48 3.063 17.413 10.121 374 HD3 PRO 48 3HD PRO 48 2.845 18.716 8.929 375 H GLY 49 H GLY 49 7.831 19.425 11.796 376 HA2 GLY 49 2HA GLY 49 8.946 16.772 11.665 377 HA3 GLY 49 3HA GLY 49 9.634 18.128 12.557 378 H GLY 50 H GLY 50 6.872 15.880 12.735 379 HA2 GLY 50 2HA GLY 50 6.343 14.465 14.575 380 HA3 GLY 50 3HA GLY 50 7.532 15.317 15.553 381 H LEU 51 H LEU 51 4.428 14.689 15.594 382 HA LEU 51 HA LEU 51 3.783 17.104 17.110 383 HB2 LEU 51 2HB LEU 51 3.212 17.518 14.587 384 HB3 LEU 51 3HB LEU 51 1.873 16.407 14.873 385 HG LEU 51 HG LEU 51 2.428 18.914 16.495 386 HD11 LEU 51 1HD1 LEU 51 0.273 19.678 15.370 387 HD12 LEU 51 2HD1 LEU 51 0.489 18.333 14.249 388 HD13 LEU 51 3HD1 LEU 51 1.700 19.613 14.335 389 HD21 LEU 51 3HD2 LEU 51 -0.057 18.375 17.164 390 HD22 LEU 51 1HD2 LEU 51 1.253 17.491 17.943 391 HD23 LEU 51 2HD2 LEU 51 0.342 16.742 16.633 392 H TYR 52 H TYR 52 2.986 16.182 18.914 393 HA TYR 52 HA TYR 52 2.165 13.565 19.302 394 HB2 TYR 52 2HB TYR 52 2.511 15.269 21.099 395 HB3 TYR 52 3HB TYR 52 0.946 15.967 20.688 396 HD1 TYR 52 HD2 TYR 52 2.601 12.806 21.776 397 HD2 TYR 52 HD1 TYR 52 -1.061 15.040 21.555 398 HE1 TYR 52 HE2 TYR 52 1.484 11.115 23.205 399 HE2 TYR 52 HE1 TYR 52 -2.177 13.348 22.986 400 HH TYR 52 HH TYR 52 -0.522 11.081 24.783 401 H LEU 53 H LEU 53 0.902 12.828 17.546 402 HA LEU 53 HA LEU 53 -1.976 13.474 17.804 403 HB2 LEU 53 2HB LEU 53 -1.118 15.016 16.073 404 HB3 LEU 53 3HB LEU 53 -0.489 13.646 15.165 405 HG LEU 53 HG LEU 53 -3.365 13.395 15.900 406 HD11 LEU 53 1HD1 LEU 53 -3.363 15.783 15.464 407 HD12 LEU 53 2HD1 LEU 53 -4.102 14.952 14.095 408 HD13 LEU 53 3HD1 LEU 53 -2.447 15.550 13.975 409 HD21 LEU 53 3HD2 LEU 53 -3.516 12.684 13.523 410 HD22 LEU 53 1HD2 LEU 53 -2.241 11.817 14.378 411 HD23 LEU 53 2HD2 LEU 53 -1.830 13.141 13.289 412 H VAL 54 H VAL 54 -2.782 11.495 18.185 413 HA VAL 54 HA VAL 54 -2.180 9.320 16.261 414 HB VAL 54 HB VAL 54 -0.582 8.855 18.017 415 HG11 VAL 54 1HG1 VAL 54 -1.502 10.227 19.796 416 HG12 VAL 54 2HG1 VAL 54 -1.361 8.566 20.375 417 HG13 VAL 54 3HG1 VAL 54 -2.935 9.203 19.894 418 HG21 VAL 54 3HG2 VAL 54 -1.280 6.655 18.627 419 HG22 VAL 54 1HG2 VAL 54 -2.089 6.995 17.100 420 HG23 VAL 54 2HG2 VAL 54 -2.982 7.114 18.613 421 H ASN 55 H ASN 55 -3.841 7.773 16.149 422 HA ASN 55 HA ASN 55 -5.978 6.898 16.369 423 HB2 ASN 55 2HB ASN 55 -5.438 7.230 18.893 424 HB3 ASN 55 3HB ASN 55 -6.506 8.625 18.783 425 HD21 ASN 55 1HD2 ASN 55 -7.720 6.565 16.489 426 HD22 ASN 55 2HD2 ASN 55 -8.848 5.718 17.432 427 H VAL 56 H VAL 56 -8.365 8.135 17.202 428 HA VAL 56 HA VAL 56 -9.071 9.584 14.881 429 HB VAL 56 HB VAL 56 -10.660 8.369 16.354 430 HG11 VAL 56 1HG1 VAL 56 -10.581 10.786 18.166 431 HG12 VAL 56 2HG1 VAL 56 -9.592 9.360 18.481 432 HG13 VAL 56 3HG1 VAL 56 -11.348 9.224 18.451 433 HG21 VAL 56 3HG2 VAL 56 -11.462 10.045 14.728 434 HG22 VAL 56 1HG2 VAL 56 -11.289 11.309 15.947 435 HG23 VAL 56 2HG2 VAL 56 -12.476 10.024 16.171 436 H THR 57 H THR 57 -8.759 11.637 14.305 437 HA THR 57 HA THR 57 -7.554 13.521 16.219 438 HB THR 57 HB THR 57 -7.212 14.940 14.228 439 HG1 THR 57 HG1 THR 57 -7.808 13.838 12.195 440 HG21 THR 57 3HG2 THR 57 -5.667 13.470 13.068 441 HG22 THR 57 1HG2 THR 57 -6.504 12.045 13.682 442 HG23 THR 57 2HG2 THR 57 -5.619 13.095 14.790 443 H GLY 58 H GLY 58 -8.347 15.854 16.084 444 HA2 GLY 58 2HA GLY 58 -11.050 16.011 16.992 445 HA3 GLY 58 3HA GLY 58 -10.046 17.391 16.560 446 H ALA 59 H ALA 59 -9.598 16.581 13.800 447 HA ALA 59 HA ALA 59 -12.343 16.532 12.644 448 HB1 ALA 59 3HB ALA 59 -10.360 18.613 11.718 449 HB2 ALA 59 1HB ALA 59 -11.485 18.949 13.034 450 HB3 ALA 59 2HB ALA 59 -12.100 18.544 11.432 451 H ARG 60 H ARG 60 -11.746 16.967 10.018 452 HA ARG 60 HA ARG 60 -10.559 14.488 9.202 453 HB2 ARG 60 2HB ARG 60 -11.214 17.033 7.698 454 HB3 ARG 60 3HB ARG 60 -10.615 15.578 6.904 455 HG2 ARG 60 2HG ARG 60 -12.533 14.300 7.782 456 HG3 ARG 60 3HG ARG 60 -13.126 15.746 8.598 457 HD2 ARG 60 2HD ARG 60 -13.335 16.888 6.410 458 HD3 ARG 60 3HD ARG 60 -12.774 15.426 5.600 459 HE ARG 60 HE ARG 60 -15.432 15.837 6.799 460 HH11 ARG 60 1HH2 ARG 60 -13.055 13.644 5.588 461 HH12 ARG 60 2HH2 ARG 60 -14.204 12.401 5.220 462 HH21 ARG 60 1HH1 ARG 60 -16.933 14.231 6.316 463 HH22 ARG 60 2HH1 ARG 60 -16.398 12.733 5.629 464 H PHE 61 H PHE 61 -9.350 17.842 9.038 465 HA PHE 61 HA PHE 61 -7.197 18.640 8.495 466 HB2 PHE 61 2HB PHE 61 -6.766 16.569 10.651 467 HB3 PHE 61 3HB PHE 61 -5.457 17.592 10.069 468 HD1 PHE 61 HD1 PHE 61 -5.996 20.169 9.942 469 HD2 PHE 61 HD2 PHE 61 -8.098 17.356 12.416 470 HE1 PHE 61 HE1 PHE 61 -6.753 22.023 11.405 471 HE2 PHE 61 HE2 PHE 61 -8.858 19.210 13.877 472 HZ PHE 61 HZ PHE 61 -8.184 21.543 13.372 473 H ALA 62 H ALA 62 -4.709 17.457 8.463 474 HA ALA 62 HA ALA 62 -3.272 16.301 7.044 475 HB1 ALA 62 3HB ALA 62 -5.502 14.266 6.774 476 HB2 ALA 62 1HB ALA 62 -4.450 14.358 8.188 477 HB3 ALA 62 2HB ALA 62 -3.768 14.000 6.602 478 H ARG 63 H ARG 63 -4.350 18.344 5.750 479 HA ARG 63 HA ARG 63 -5.054 17.241 3.056 480 HB2 ARG 63 2HB ARG 63 -6.222 19.715 4.354 481 HB3 ARG 63 3HB ARG 63 -6.566 19.153 2.717 482 HG2 ARG 63 2HG ARG 63 -7.076 17.471 5.184 483 HG3 ARG 63 3HG ARG 63 -8.300 18.516 4.468 484 HD2 ARG 63 2HD ARG 63 -7.893 17.270 2.274 485 HD3 ARG 63 3HD ARG 63 -6.957 16.109 3.213 486 HE ARG 63 HE ARG 63 -9.617 16.571 4.297 487 HH11 ARG 63 1HH2 ARG 63 -7.627 14.843 2.070 488 HH12 ARG 63 2HH2 ARG 63 -8.703 13.491 1.953 489 HH21 ARG 63 1HH1 ARG 63 -11.027 14.824 4.152 490 HH22 ARG 63 2HH1 ARG 63 -10.629 13.482 3.134 491 H GLY 64 H GLY 64 -3.957 18.090 1.396 492 HA2 GLY 64 2HA GLY 64 -2.498 19.492 0.205 493 HA3 GLY 64 3HA GLY 64 -2.666 20.687 1.492 494 H SER 65 H SER 65 -1.914 17.891 3.029 495 HA SER 65 HA SER 65 0.905 18.710 3.350 496 HB2 SER 65 2HB SER 65 -0.411 16.368 4.718 497 HB3 SER 65 3HB SER 65 0.909 17.384 5.296 498 HG SER 65 HG SER 65 -0.492 18.889 5.870 499 H PHE 66 H PHE 66 1.660 15.972 4.123 500 HA PHE 66 HA PHE 66 2.742 14.136 3.198 501 HB2 PHE 66 2HB PHE 66 0.591 14.357 1.076 502 HB3 PHE 66 3HB PHE 66 1.585 12.942 1.406 503 HD1 PHE 66 HD2 PHE 66 1.335 11.694 3.534 504 HD2 PHE 66 HD1 PHE 66 -1.253 14.965 2.511 505 HE1 PHE 66 HE2 PHE 66 -0.265 10.974 5.286 506 HE2 PHE 66 HE1 PHE 66 -2.853 14.246 4.261 507 HZ PHE 66 HZ PHE 66 -2.361 12.250 5.650 508 H ARG 67 H ARG 67 4.010 13.396 1.286 509 HA ARG 67 HA ARG 67 5.577 15.529 0.194 510 HB2 ARG 67 2HB ARG 67 5.321 12.602 -0.524 511 HB3 ARG 67 3HB ARG 67 6.510 13.669 -1.267 512 HG2 ARG 67 2HG ARG 67 7.456 14.169 0.955 513 HG3 ARG 67 3HG ARG 67 6.252 13.121 1.706 514 HD2 ARG 67 2HD ARG 67 7.132 11.200 0.419 515 HD3 ARG 67 3HD ARG 67 8.355 12.247 -0.297 516 HE ARG 67 HE ARG 67 8.330 11.247 2.476 517 HH11 ARG 67 1HH2 ARG 67 9.595 13.454 0.138 518 HH12 ARG 67 2HH2 ARG 67 11.057 13.742 1.018 519 HH21 ARG 67 1HH1 ARG 67 10.229 11.612 3.621 520 HH22 ARG 67 2HH1 ARG 67 11.418 12.701 2.987 521 H GLU 68 H GLU 68 3.082 13.435 -1.249 522 HA GLU 68 HA GLU 68 2.276 15.552 -3.069 523 HB2 GLU 68 2HB GLU 68 4.297 14.716 -4.252 524 HB3 GLU 68 3HB GLU 68 3.606 13.092 -4.257 525 HG2 GLU 68 2HG GLU 68 1.700 13.877 -5.585 526 HG3 GLU 68 3HG GLU 68 2.318 15.528 -5.529 527 H VAL 69 H VAL 69 0.135 15.223 -3.546 528 HA VAL 69 HA VAL 69 -0.966 12.451 -3.189 529 HB VAL 69 HB VAL 69 -2.127 15.102 -2.297 530 HG11 VAL 69 1HG1 VAL 69 -4.032 13.565 -1.486 531 HG12 VAL 69 2HG1 VAL 69 -3.396 12.377 -2.625 532 HG13 VAL 69 3HG1 VAL 69 -3.985 13.934 -3.210 533 HG21 VAL 69 3HG2 VAL 69 -1.906 14.249 -0.105 534 HG22 VAL 69 1HG2 VAL 69 -0.418 13.731 -0.894 535 HG23 VAL 69 2HG2 VAL 69 -1.739 12.588 -0.672 536 H VAL 70 H VAL 70 -2.129 11.733 -4.879 537 HA VAL 70 HA VAL 70 -3.081 13.739 -6.879 538 HB VAL 70 HB VAL 70 -2.199 10.945 -7.591 539 HG11 VAL 70 1HG1 VAL 70 -2.611 13.525 -9.148 540 HG12 VAL 70 2HG1 VAL 70 -3.636 12.092 -9.216 541 HG13 VAL 70 3HG1 VAL 70 -1.988 12.029 -9.842 542 HG21 VAL 70 3HG2 VAL 70 -0.608 13.523 -7.481 543 HG22 VAL 70 1HG2 VAL 70 -0.084 12.096 -8.376 544 HG23 VAL 70 2HG2 VAL 70 -0.260 12.022 -6.622 545 HA PRO 71 HA PRO 71 -7.128 12.083 -5.828 546 HB2 PRO 71 2HB PRO 71 -7.759 12.472 -8.723 547 HB3 PRO 71 3HB PRO 71 -8.607 13.085 -7.292 548 HG2 PRO 71 2HG PRO 71 -6.997 14.614 -8.880 549 HG3 PRO 71 3HG PRO 71 -7.316 14.955 -7.173 550 HD2 PRO 71 2HD PRO 71 -4.822 13.997 -8.427 551 HD3 PRO 71 3HD PRO 71 -5.080 14.706 -6.817 552 H VAL 72 H VAL 72 -7.720 10.014 -5.670 553 HA VAL 72 HA VAL 72 -7.249 7.663 -5.992 554 HB VAL 72 HB VAL 72 -9.607 8.314 -6.491 555 HG11 VAL 72 1HG1 VAL 72 -9.239 7.917 -9.424 556 HG12 VAL 72 2HG1 VAL 72 -8.652 9.453 -8.793 557 HG13 VAL 72 3HG1 VAL 72 -10.336 8.994 -8.562 558 HG21 VAL 72 3HG2 VAL 72 -8.773 6.077 -8.338 559 HG22 VAL 72 1HG2 VAL 72 -10.203 6.181 -7.313 560 HG23 VAL 72 2HG2 VAL 72 -8.620 5.914 -6.588 561 H HIS 73 H HIS 73 -4.961 8.353 -6.942 562 HA HIS 73 HA HIS 73 -4.655 6.773 -9.403 563 HB2 HIS 73 2HB HIS 73 -5.045 9.057 -10.271 564 HB3 HIS 73 3HB HIS 73 -3.733 9.659 -9.255 565 HD1 HIS 73 HD1 HIS 73 -4.184 6.892 -11.851 566 HD2 HIS 73 HD2 HIS 73 -1.321 9.652 -10.598 567 HE1 HIS 73 HE1 HIS 73 -2.190 6.604 -13.387 568 H ARG 74 H ARG 74 -2.614 9.184 -7.713 569 HA ARG 74 HA ARG 74 -0.850 6.948 -6.818 570 HB2 ARG 74 2HB ARG 74 0.047 7.804 -8.960 571 HB3 ARG 74 3HB ARG 74 0.124 9.424 -8.266 572 HG2 ARG 74 2HG ARG 74 1.715 8.686 -6.582 573 HG3 ARG 74 3HG ARG 74 1.559 7.012 -7.114 574 HD2 ARG 74 2HD ARG 74 3.593 7.955 -8.066 575 HD3 ARG 74 3HD ARG 74 2.424 7.699 -9.361 576 HE ARG 74 HE ARG 74 2.157 10.361 -8.326 577 HH11 ARG 74 1HH2 ARG 74 4.216 8.326 -10.206 578 HH12 ARG 74 2HH2 ARG 74 4.842 9.627 -11.162 579 HH21 ARG 74 1HH1 ARG 74 2.966 12.061 -9.564 580 HH22 ARG 74 2HH1 ARG 74 4.136 11.738 -10.799 581 H LEU 75 H LEU 75 0.209 7.314 -4.917 582 HA LEU 75 HA LEU 75 -0.047 10.003 -3.640 583 HB2 LEU 75 2HB LEU 75 -1.867 8.546 -2.807 584 HB3 LEU 75 3HB LEU 75 -0.674 7.349 -2.317 585 HG LEU 75 HG LEU 75 -0.145 10.099 -1.288 586 HD11 LEU 75 1HD1 LEU 75 -1.850 9.956 0.483 587 HD12 LEU 75 2HD1 LEU 75 -2.520 8.510 -0.275 588 HD13 LEU 75 3HD1 LEU 75 -2.595 10.060 -1.112 589 HD21 LEU 75 3HD2 LEU 75 -0.287 7.357 0.019 590 HD22 LEU 75 1HD2 LEU 75 0.297 8.825 0.801 591 HD23 LEU 75 2HD2 LEU 75 1.177 8.144 -0.564 592 H ALA 76 H ALA 76 1.771 10.574 -2.469 593 HA ALA 76 HA ALA 76 3.889 8.483 -2.089 594 HB1 ALA 76 3HB ALA 76 4.430 11.344 -2.906 595 HB2 ALA 76 1HB ALA 76 4.302 10.026 -4.069 596 HB3 ALA 76 2HB ALA 76 5.574 10.004 -2.849 597 H TYR 77 H TYR 77 4.651 8.427 -0.064 598 HA TYR 77 HA TYR 77 4.971 10.777 1.589 599 HB2 TYR 77 2HB TYR 77 2.559 10.546 1.878 600 HB3 TYR 77 3HB TYR 77 2.739 8.834 2.265 601 HD1 TYR 77 HD2 TYR 77 4.030 12.187 3.360 602 HD2 TYR 77 HD1 TYR 77 2.889 8.212 4.524 603 HE1 TYR 77 HE2 TYR 77 4.400 12.778 5.738 604 HE2 TYR 77 HE1 TYR 77 3.263 8.804 6.904 605 HH TYR 77 HH TYR 77 4.969 10.954 8.019 606 H SER 78 H SER 78 5.882 10.150 3.735 607 HA SER 78 HA SER 78 7.293 7.512 3.560 608 HB2 SER 78 2HB SER 78 8.811 9.407 3.592 609 HB3 SER 78 3HB SER 78 7.996 10.084 4.998 610 HG SER 78 HG SER 78 9.116 8.794 6.214 611 H PHE 79 H PHE 79 6.634 5.997 4.974 612 HA PHE 79 HA PHE 79 5.666 6.794 7.671 613 HB2 PHE 79 2HB PHE 79 3.642 6.569 6.280 614 HB3 PHE 79 3HB PHE 79 4.170 4.968 5.760 615 HD1 PHE 79 HD1 PHE 79 3.393 6.959 8.828 616 HD2 PHE 79 HD2 PHE 79 3.591 3.066 7.024 617 HE1 PHE 79 HE1 PHE 79 2.360 5.969 10.852 618 HE2 PHE 79 HE2 PHE 79 2.556 2.076 9.048 619 HZ PHE 79 HZ PHE 79 1.941 3.528 10.963 620 H GLY 80 H GLY 80 5.969 3.882 5.611 621 HA2 GLY 80 2HA GLY 80 7.114 1.871 5.976 622 HA3 GLY 80 3HA GLY 80 8.218 2.802 6.987 623 H TRP 81 H TRP 81 8.405 1.534 8.792 624 HA TRP 81 HA TRP 81 5.875 0.762 10.210 625 HB2 TRP 81 2HB TRP 81 7.313 -1.136 9.312 626 HB3 TRP 81 3HB TRP 81 8.558 -0.623 10.451 627 HD1 TRP 81 HD1 TRP 81 8.400 -1.623 12.788 628 HE1 TRP 81 HE1 TRP 81 6.575 -2.823 14.157 629 HE3 TRP 81 HE3 TRP 81 4.463 -1.203 9.565 630 HZ2 TRP 81 HZ2 TRP 81 3.807 -3.511 13.916 631 HZ3 TRP 81 HZ3 TRP 81 2.245 -2.136 10.158 632 HH2 TRP 81 HH2 TRP 81 1.913 -3.289 12.328 633 H ASP 82 H ASP 82 5.645 2.338 11.715 634 HA ASP 82 HA ASP 82 7.887 3.629 13.040 635 HB2 ASP 82 2HB ASP 82 4.903 3.602 13.562 636 HB3 ASP 82 3HB ASP 82 6.039 4.581 14.490 637 H GLY 83 H GLY 83 6.305 0.661 13.420 638 HA2 GLY 83 2HA GLY 83 6.495 0.413 16.304 639 HA3 GLY 83 3HA GLY 83 6.241 -0.913 15.170 640 H SER 84 H SER 84 8.840 0.611 13.947 641 HA SER 84 HA SER 84 10.806 -0.890 15.646 642 HB2 SER 84 2HB SER 84 10.608 -0.754 12.634 643 HB3 SER 84 3HB SER 84 12.056 -1.294 13.478 644 HG SER 84 HG SER 84 10.025 -2.547 14.579 645 H GLU 85 H GLU 85 12.206 0.497 16.508 646 HA GLU 85 HA GLU 85 13.350 2.489 16.911 647 HB2 GLU 85 2HB GLU 85 14.074 1.842 14.041 648 HB3 GLU 85 3HB GLU 85 14.908 3.050 15.020 649 HG2 GLU 85 2HG GLU 85 15.495 1.349 16.678 650 HG3 GLU 85 3HG GLU 85 14.610 0.128 15.762 651 H VAL 86 H VAL 86 14.028 4.587 15.339 652 HA VAL 86 HA VAL 86 11.379 5.851 14.760 653 HB VAL 86 HB VAL 86 13.938 7.377 15.238 654 HG11 VAL 86 1HG1 VAL 86 11.093 8.061 16.011 655 HG12 VAL 86 2HG1 VAL 86 11.721 8.399 14.399 656 HG13 VAL 86 3HG1 VAL 86 12.463 9.154 15.809 657 HG21 VAL 86 3HG2 VAL 86 12.057 6.204 17.311 658 HG22 VAL 86 1HG2 VAL 86 13.245 7.462 17.654 659 HG23 VAL 86 2HG2 VAL 86 13.778 5.865 17.132 660 H VAL 87 H VAL 87 10.967 6.480 12.710 661 HA VAL 87 HA VAL 87 13.243 6.927 10.831 662 HB VAL 87 HB VAL 87 10.770 5.310 10.154 663 HG11 VAL 87 1HG1 VAL 87 11.777 6.508 8.264 664 HG12 VAL 87 2HG1 VAL 87 12.090 4.778 8.117 665 HG13 VAL 87 3HG1 VAL 87 13.364 5.861 8.679 666 HG21 VAL 87 3HG2 VAL 87 12.091 3.989 11.677 667 HG22 VAL 87 1HG2 VAL 87 13.591 4.462 10.877 668 HG23 VAL 87 2HG2 VAL 87 12.447 3.402 10.051 669 HA PRO 88 HA PRO 88 10.003 10.272 10.721 670 HB2 PRO 88 2HB PRO 88 12.405 12.012 10.507 671 HB3 PRO 88 3HB PRO 88 11.041 12.118 11.637 672 HG2 PRO 88 2HG PRO 88 13.484 11.324 12.421 673 HG3 PRO 88 3HG PRO 88 12.003 10.660 13.139 674 HD2 PRO 88 2HD PRO 88 13.813 9.426 11.078 675 HD3 PRO 88 3HD PRO 88 12.998 8.661 12.460 676 HA PRO 89 HA PRO 89 10.128 11.244 6.394 677 HB2 PRO 89 2HB PRO 89 10.702 14.144 6.779 678 HB3 PRO 89 3HB PRO 89 9.315 13.364 5.995 679 HG2 PRO 89 2HG PRO 89 9.078 14.511 8.387 680 HG3 PRO 89 3HG PRO 89 8.211 13.013 7.996 681 HD2 PRO 89 2HD PRO 89 10.707 13.370 9.640 682 HD3 PRO 89 3HD PRO 89 9.318 12.294 9.917 683 H GLY 90 H GLY 90 11.580 11.247 4.689 684 HA2 GLY 90 2HA GLY 90 13.602 11.815 3.529 685 HA3 GLY 90 3HA GLY 90 14.253 12.484 5.025 686 H SER 91 H SER 91 13.688 10.244 6.704 687 HA SER 91 HA SER 91 15.985 8.592 6.118 688 HB2 SER 91 2HB SER 91 15.292 7.339 8.138 689 HB3 SER 91 3HB SER 91 15.287 9.078 8.423 690 HG SER 91 HG SER 91 12.962 7.790 7.503 691 H SER 92 H SER 92 12.705 8.451 5.129 692 HA SER 92 HA SER 92 13.235 5.898 3.761 693 HB2 SER 92 2HB SER 92 11.053 4.929 4.632 694 HB3 SER 92 3HB SER 92 12.370 4.975 5.797 695 HG SER 92 HG SER 92 11.067 7.295 5.886 696 H LEU 93 H LEU 93 11.487 5.395 2.185 697 HA LEU 93 HA LEU 93 9.614 7.624 1.667 698 HB2 LEU 93 2HB LEU 93 11.976 7.861 0.439 699 HB3 LEU 93 3HB LEU 93 11.266 6.693 -0.668 700 HG LEU 93 HG LEU 93 10.788 8.922 -1.492 701 HD11 LEU 93 1HD1 LEU 93 9.000 7.058 -1.469 702 HD12 LEU 93 2HD1 LEU 93 8.477 8.699 -1.840 703 HD13 LEU 93 3HD1 LEU 93 8.209 8.037 -0.232 704 HD21 LEU 93 3HD2 LEU 93 10.814 9.746 1.128 705 HD22 LEU 93 1HD2 LEU 93 9.082 9.735 0.805 706 HD23 LEU 93 2HD2 LEU 93 10.160 10.708 -0.192 707 H VAL 94 H VAL 94 7.721 6.771 1.186 708 HA VAL 94 HA VAL 94 7.595 4.050 -0.074 709 HB VAL 94 HB VAL 94 5.814 5.330 2.011 710 HG11 VAL 94 1HG1 VAL 94 5.419 2.883 0.275 711 HG12 VAL 94 2HG1 VAL 94 4.308 4.229 0.526 712 HG13 VAL 94 3HG1 VAL 94 4.597 3.072 1.825 713 HG21 VAL 94 3HG2 VAL 94 6.484 3.422 3.364 714 HG22 VAL 94 1HG2 VAL 94 7.936 4.215 2.750 715 HG23 VAL 94 2HG2 VAL 94 7.364 2.725 2.003 716 H GLU 95 H GLU 95 6.399 3.926 -1.919 717 HA GLU 95 HA GLU 95 4.538 6.171 -2.593 718 HB2 GLU 95 2HB GLU 95 6.717 4.984 -4.322 719 HB3 GLU 95 3HB GLU 95 5.351 5.872 -5.001 720 HG2 GLU 95 2HG GLU 95 5.921 7.838 -3.683 721 HG3 GLU 95 3HG GLU 95 7.214 6.957 -2.881 722 H ILE 96 H ILE 96 2.636 5.494 -3.455 723 HA ILE 96 HA ILE 96 2.383 2.610 -4.229 724 HB ILE 96 HB ILE 96 0.474 4.269 -2.558 725 HG12 ILE 96 2HG1 ILE 96 1.938 1.690 -1.925 726 HG13 ILE 96 3HG1 ILE 96 2.531 3.283 -1.457 727 HG21 ILE 96 1HG2 ILE 96 -0.843 2.892 -4.025 728 HG22 ILE 96 2HG2 ILE 96 -0.788 2.061 -2.472 729 HG23 ILE 96 3HG2 ILE 96 0.235 1.515 -3.798 730 HD11 ILE 96 3HD1 ILE 96 0.327 3.664 -0.285 731 HD12 ILE 96 1HD1 ILE 96 1.317 2.385 0.421 732 HD13 ILE 96 2HD1 ILE 96 -0.058 1.972 -0.601 733 H ASP 97 H ASP 97 1.482 2.330 -6.175 734 HA ASP 97 HA ASP 97 0.123 4.663 -7.483 735 HB2 ASP 97 2HB ASP 97 1.484 2.295 -8.795 736 HB3 ASP 97 3HB ASP 97 0.881 3.745 -9.597 737 H LEU 98 H LEU 98 -1.937 4.337 -8.280 738 HA LEU 98 HA LEU 98 -3.155 1.637 -7.824 739 HB2 LEU 98 2HB LEU 98 -4.499 4.338 -8.133 740 HB3 LEU 98 3HB LEU 98 -5.301 2.817 -7.732 741 HG LEU 98 HG LEU 98 -3.184 4.202 -6.055 742 HD11 LEU 98 1HD1 LEU 98 -5.160 4.351 -4.436 743 HD12 LEU 98 2HD1 LEU 98 -6.186 3.941 -5.812 744 HD13 LEU 98 3HD1 LEU 98 -5.222 5.419 -5.841 745 HD21 LEU 98 3HD2 LEU 98 -2.892 1.927 -5.560 746 HD22 LEU 98 1HD2 LEU 98 -4.592 1.543 -5.838 747 HD23 LEU 98 2HD2 LEU 98 -4.103 2.390 -4.371 748 H ILE 99 H ILE 99 -3.647 0.473 -9.573 749 HA ILE 99 HA ILE 99 -4.060 1.883 -12.187 750 HB ILE 99 HB ILE 99 -2.614 -0.724 -11.655 751 HG12 ILE 99 2HG1 ILE 99 -1.614 1.840 -12.925 752 HG13 ILE 99 3HG1 ILE 99 -1.410 1.474 -11.212 753 HG21 ILE 99 1HG2 ILE 99 -3.805 -1.020 -13.693 754 HG22 ILE 99 2HG2 ILE 99 -2.186 -0.517 -14.180 755 HG23 ILE 99 3HG2 ILE 99 -3.513 0.645 -14.197 756 HD11 ILE 99 3HD1 ILE 99 -0.262 -0.660 -11.865 757 HD12 ILE 99 1HD1 ILE 99 0.602 0.789 -12.382 758 HD13 ILE 99 2HD1 ILE 99 -0.344 -0.138 -13.548 759 H GLU 100 H GLU 100 -5.936 1.390 -13.156 760 HA GLU 100 HA GLU 100 -7.854 -0.341 -11.885 761 HB2 GLU 100 2HB GLU 100 -8.249 1.734 -13.392 762 HB3 GLU 100 3HB GLU 100 -8.051 0.617 -14.740 763 HG2 GLU 100 2HG GLU 100 -10.039 0.236 -12.478 764 HG3 GLU 100 3HG GLU 100 -10.438 0.907 -14.059 765 H GLN 101 H GLN 101 -8.406 -2.452 -12.359 766 HA GLN 101 HA GLN 101 -7.295 -3.737 -14.781 767 HB2 GLN 101 2HB GLN 101 -5.525 -4.028 -13.100 768 HB3 GLN 101 3HB GLN 101 -6.695 -4.717 -11.973 769 HG2 GLN 101 2HG GLN 101 -7.106 -6.595 -13.464 770 HG3 GLN 101 3HG GLN 101 -6.078 -5.878 -14.706 771 HE21 GLN 101 1HE2 GLN 101 -4.031 -6.777 -14.738 772 HE22 GLN 101 2HE2 GLN 101 -3.214 -7.405 -13.390 773 H GLY 102 H GLY 102 -8.321 -5.764 -15.246 774 HA2 GLY 102 2HA GLY 102 -11.109 -5.844 -14.554 775 HA3 GLY 102 3HA GLY 102 -10.248 -7.063 -15.487 776 H GLY 103 H GLY 103 -12.216 -7.140 -13.142 777 HA2 GLY 103 2HA GLY 103 -12.513 -9.004 -11.654 778 HA3 GLY 103 3HA GLY 103 -10.765 -9.240 -11.623 779 H GLY 104 H GLY 104 -10.783 -6.092 -11.318 780 HA2 GLY 104 2HA GLY 104 -11.912 -5.199 -8.990 781 HA3 GLY 104 3HA GLY 104 -10.573 -6.186 -8.401 782 H THR 105 H THR 105 -9.063 -4.716 -7.740 783 HA THR 105 HA THR 105 -8.117 -2.715 -9.757 784 HB THR 105 HB THR 105 -8.466 -2.275 -6.780 785 HG1 THR 105 HG1 THR 105 -10.305 -2.168 -8.343 786 HG21 THR 105 3HG2 THR 105 -7.755 0.066 -7.405 787 HG22 THR 105 1HG2 THR 105 -7.280 -0.567 -8.981 788 HG23 THR 105 2HG2 THR 105 -6.476 -1.137 -7.518 789 H LEU 106 H LEU 106 -5.957 -2.722 -10.056 790 HA LEU 106 HA LEU 106 -4.354 -4.646 -8.496 791 HB2 LEU 106 2HB LEU 106 -4.111 -4.639 -10.933 792 HB3 LEU 106 3HB LEU 106 -3.679 -2.931 -10.904 793 HG LEU 106 HG LEU 106 -1.645 -3.422 -9.638 794 HD11 LEU 106 1HD1 LEU 106 -2.101 -5.228 -8.229 795 HD12 LEU 106 2HD1 LEU 106 -1.110 -6.003 -9.461 796 HD13 LEU 106 3HD1 LEU 106 -2.865 -6.172 -9.507 797 HD21 LEU 106 3HD2 LEU 106 -0.477 -4.836 -11.345 798 HD22 LEU 106 1HD2 LEU 106 -1.468 -3.566 -12.063 799 HD23 LEU 106 2HD2 LEU 106 -2.048 -5.231 -12.041 800 H LEU 107 H LEU 107 -3.042 -4.025 -6.870 801 HA LEU 107 HA LEU 107 -2.461 -1.101 -6.550 802 HB2 LEU 107 2HB LEU 107 -3.907 -2.143 -4.814 803 HB3 LEU 107 3HB LEU 107 -2.596 -3.250 -4.423 804 HG LEU 107 HG LEU 107 -1.822 -0.364 -4.449 805 HD11 LEU 107 1HD1 LEU 107 -4.047 -0.168 -3.452 806 HD12 LEU 107 2HD1 LEU 107 -2.804 0.071 -2.224 807 HD13 LEU 107 3HD1 LEU 107 -3.672 -1.463 -2.315 808 HD21 LEU 107 3HD2 LEU 107 -1.423 -2.619 -2.449 809 HD22 LEU 107 1HD2 LEU 107 -0.630 -1.045 -2.391 810 HD23 LEU 107 2HD2 LEU 107 -0.284 -2.159 -3.712 811 H ARG 108 H ARG 108 -0.384 -0.507 -6.568 812 HA ARG 108 HA ARG 108 1.726 -2.632 -6.412 813 HB2 ARG 108 2HB ARG 108 1.556 -1.467 -8.608 814 HB3 ARG 108 3HB ARG 108 1.846 0.067 -7.786 815 HG2 ARG 108 2HG ARG 108 4.028 -0.762 -6.987 816 HG3 ARG 108 3HG ARG 108 3.738 -2.307 -7.786 817 HD2 ARG 108 2HD ARG 108 3.817 0.357 -9.231 818 HD3 ARG 108 3HD ARG 108 5.193 -0.740 -9.105 819 HE ARG 108 HE ARG 108 2.993 -2.219 -10.121 820 HH11 ARG 108 1HH2 ARG 108 5.094 0.388 -10.964 821 HH12 ARG 108 2HH2 ARG 108 4.995 0.087 -12.666 822 HH21 ARG 108 1HH1 ARG 108 2.860 -2.621 -12.335 823 HH22 ARG 108 2HH1 ARG 108 3.732 -1.613 -13.442 824 H LEU 109 H LEU 109 3.065 -2.473 -4.704 825 HA LEU 109 HA LEU 109 3.163 0.126 -3.208 826 HB2 LEU 109 2HB LEU 109 2.080 -1.744 -1.993 827 HB3 LEU 109 3HB LEU 109 3.562 -2.682 -2.153 828 HG LEU 109 HG LEU 109 3.979 0.045 -1.028 829 HD11 LEU 109 1HD1 LEU 109 3.129 -0.529 1.208 830 HD12 LEU 109 2HD1 LEU 109 2.455 -2.030 0.569 831 HD13 LEU 109 3HD1 LEU 109 1.825 -0.475 0.023 832 HD21 LEU 109 3HD2 LEU 109 4.751 -2.621 0.175 833 HD22 LEU 109 1HD2 LEU 109 5.570 -1.065 0.331 834 HD23 LEU 109 2HD2 LEU 109 5.628 -1.944 -1.196 835 H THR 110 H THR 110 5.091 1.083 -3.173 836 HA THR 110 HA THR 110 7.551 -0.572 -3.622 837 HB THR 110 HB THR 110 6.982 2.210 -4.681 838 HG1 THR 110 HG1 THR 110 6.829 1.202 -6.632 839 HG21 THR 110 3HG2 THR 110 9.309 2.064 -4.222 840 HG22 THR 110 1HG2 THR 110 9.158 1.688 -5.937 841 HG23 THR 110 2HG2 THR 110 9.391 0.389 -4.768 842 H HIS 111 H HIS 111 9.078 -0.290 -2.100 843 HA HIS 111 HA HIS 111 8.905 2.103 -0.298 844 HB2 HIS 111 2HB HIS 111 8.124 -0.019 0.792 845 HB3 HIS 111 3HB HIS 111 9.723 -0.705 0.495 846 HD1 HIS 111 HD1 HIS 111 11.667 1.337 1.295 847 HD2 HIS 111 HD2 HIS 111 8.090 0.890 3.390 848 HE1 HIS 111 HE1 HIS 111 12.045 2.357 3.581 849 H SER 112 H SER 112 10.835 3.129 0.073 850 HA SER 112 HA SER 112 13.377 1.785 -0.611 851 HB2 SER 112 2HB SER 112 12.586 2.777 -2.756 852 HB3 SER 112 3HB SER 112 12.513 4.352 -1.973 853 HG SER 112 HG SER 112 14.591 4.512 -2.201 854 H GLY 113 H GLY 113 15.247 3.225 -0.051 855 HA2 GLY 113 2HA GLY 113 16.254 4.965 1.246 856 HA3 GLY 113 3HA GLY 113 14.655 5.431 1.828 857 H LEU 114 H LEU 114 14.847 2.126 1.962 858 HA LEU 114 HA LEU 114 14.523 1.796 4.641 859 HB2 LEU 114 2HB LEU 114 16.070 0.007 2.781 860 HB3 LEU 114 3HB LEU 114 15.584 -0.465 4.410 861 HG LEU 114 HG LEU 114 13.534 0.628 2.481 862 HD11 LEU 114 1HD1 LEU 114 14.677 -2.157 2.579 863 HD12 LEU 114 2HD1 LEU 114 14.414 -1.128 1.174 864 HD13 LEU 114 3HD1 LEU 114 13.037 -1.853 2.003 865 HD21 LEU 114 3HD2 LEU 114 12.764 0.377 4.775 866 HD22 LEU 114 1HD2 LEU 114 13.446 -1.246 4.877 867 HD23 LEU 114 2HD2 LEU 114 12.063 -0.932 3.833 868 HA PRO 115 HA PRO 115 18.319 3.625 6.377 869 HB2 PRO 115 2HB PRO 115 17.446 2.054 8.774 870 HB3 PRO 115 3HB PRO 115 17.876 3.770 8.650 871 HG2 PRO 115 2HG PRO 115 15.328 2.921 8.882 872 HG3 PRO 115 3HG PRO 115 15.772 4.384 7.986 873 HD2 PRO 115 2HD PRO 115 14.875 1.748 6.941 874 HD3 PRO 115 3HD PRO 115 14.767 3.364 6.200 875 H SER 116 H SER 116 17.408 0.219 6.811 876 HA SER 116 HA SER 116 20.171 -0.591 6.181 877 HB2 SER 116 2HB SER 116 20.255 -0.304 8.623 878 HB3 SER 116 3HB SER 116 18.837 -1.335 8.805 879 HG SER 116 HG SER 116 21.119 -2.249 8.978 880 H ALA 117 H ALA 117 20.289 -3.033 6.062 881 HA ALA 117 HA ALA 117 18.193 -4.064 4.408 882 HB1 ALA 117 3HB ALA 117 20.448 -5.421 5.903 883 HB2 ALA 117 1HB ALA 117 20.433 -4.945 4.204 884 HB3 ALA 117 2HB ALA 117 19.396 -6.258 4.761 885 H GLU 118 H GLU 118 18.867 -4.311 7.855 886 HA GLU 118 HA GLU 118 17.075 -6.408 8.530 887 HB2 GLU 118 2HB GLU 118 18.723 -5.376 10.102 888 HB3 GLU 118 3HB GLU 118 17.711 -3.932 10.158 889 HG2 GLU 118 2HG GLU 118 15.845 -5.224 11.060 890 HG3 GLU 118 3HG GLU 118 16.785 -6.711 10.936 891 H GLN 119 H GLN 119 16.536 -2.958 7.998 892 HA GLN 119 HA GLN 119 13.803 -2.894 8.885 893 HB2 GLN 119 2HB GLN 119 15.299 -1.181 6.883 894 HB3 GLN 119 3HB GLN 119 13.691 -0.806 7.503 895 HG2 GLN 119 2HG GLN 119 16.141 -1.186 9.247 896 HG3 GLN 119 3HG GLN 119 15.531 0.385 8.726 897 HE21 GLN 119 1HE2 GLN 119 13.584 1.191 9.723 898 HE22 GLN 119 2HE2 GLN 119 12.854 0.415 11.045 899 H CYS 120 H CYS 120 15.347 -3.757 5.843 900 HA CYS 120 HA CYS 120 13.000 -3.749 4.199 901 HB2 CYS 120 2HB CYS 120 15.586 -4.031 3.636 902 HB3 CYS 120 3HB CYS 120 15.187 -5.744 3.717 903 HG CYS 120 HG CYS 120 14.407 -3.878 1.467 904 H ALA 121 H ALA 121 14.586 -6.394 5.998 905 HA ALA 121 HA ALA 121 12.663 -8.396 5.275 906 HB1 ALA 121 3HB ALA 121 14.232 -8.328 7.856 907 HB2 ALA 121 1HB ALA 121 14.981 -8.738 6.312 908 HB3 ALA 121 2HB ALA 121 13.685 -9.746 6.959 909 H GLY 122 H GLY 122 12.894 -6.188 8.042 910 HA2 GLY 122 2HA GLY 122 10.578 -7.222 9.415 911 HA3 GLY 122 3HA GLY 122 11.329 -5.654 9.708 912 H HIS 123 H HIS 123 11.068 -4.535 7.140 913 HA HIS 123 HA HIS 123 8.353 -3.584 7.224 914 HB2 HIS 123 2HB HIS 123 10.563 -3.331 5.178 915 HB3 HIS 123 3HB HIS 123 8.991 -2.557 4.977 916 HD1 HIS 123 HD1 HIS 123 10.740 -0.372 5.129 917 HD2 HIS 123 HD2 HIS 123 9.885 -2.422 8.657 918 HE1 HIS 123 HE1 HIS 123 11.343 1.190 7.030 919 H GLU 124 H GLU 124 10.053 -5.901 5.148 920 HA GLU 124 HA GLU 124 7.992 -6.382 3.261 921 HB2 GLU 124 2HB GLU 124 10.325 -7.242 3.080 922 HB3 GLU 124 3HB GLU 124 9.979 -8.377 4.384 923 HG2 GLU 124 2HG GLU 124 8.223 -9.432 3.049 924 HG3 GLU 124 3HG GLU 124 8.472 -8.259 1.754 925 H GLU 125 H GLU 125 8.610 -7.907 6.416 926 HA GLU 125 HA GLU 125 6.388 -9.746 6.252 927 HB2 GLU 125 2HB GLU 125 7.949 -8.643 8.601 928 HB3 GLU 125 3HB GLU 125 6.734 -9.912 8.747 929 HG2 GLU 125 2HG GLU 125 8.005 -11.345 7.223 930 HG3 GLU 125 3HG GLU 125 9.192 -10.064 6.979 931 H GLY 126 H GLY 126 6.802 -6.494 7.594 932 HA2 GLY 126 2HA GLY 126 4.236 -6.309 8.856 933 HA3 GLY 126 3HA GLY 126 5.226 -4.936 8.359 934 H TRP 127 H TRP 127 5.351 -5.161 5.668 935 HA TRP 127 HA TRP 127 2.798 -4.214 4.791 936 HB2 TRP 127 2HB TRP 127 5.281 -5.119 3.330 937 HB3 TRP 127 3HB TRP 127 3.857 -4.528 2.474 938 HD1 TRP 127 HD1 TRP 127 6.995 -3.310 3.830 939 HE1 TRP 127 HE1 TRP 127 6.937 -0.762 4.220 940 HE3 TRP 127 HE3 TRP 127 1.972 -2.479 3.458 941 HZ2 TRP 127 HZ2 TRP 127 5.009 1.348 4.356 942 HZ3 TRP 127 HZ3 TRP 127 1.052 -0.196 3.721 943 HH2 TRP 127 HH2 TRP 127 2.562 1.718 4.168 944 H ALA 128 H ALA 128 4.364 -7.374 4.590 945 HA ALA 128 HA ALA 128 2.625 -8.649 2.765 946 HB1 ALA 128 3HB ALA 128 4.579 -9.825 3.477 947 HB2 ALA 128 1HB ALA 128 3.214 -10.746 4.110 948 HB3 ALA 128 2HB ALA 128 4.126 -9.678 5.176 949 H HIS 129 H HIS 129 2.320 -8.369 6.315 950 HA HIS 129 HA HIS 129 -0.181 -9.783 6.466 951 HB2 HIS 129 2HB HIS 129 1.185 -7.802 8.292 952 HB3 HIS 129 3HB HIS 129 -0.354 -8.558 8.703 953 HD1 HIS 129 HD1 HIS 129 3.279 -9.383 8.086 954 HD2 HIS 129 HD2 HIS 129 -0.172 -11.262 9.479 955 HE1 HIS 129 HE1 HIS 129 4.009 -11.623 9.019 956 H TYR 130 H TYR 130 0.590 -6.305 6.294 957 HA TYR 130 HA TYR 130 -2.100 -5.374 6.498 958 HB2 TYR 130 2HB TYR 130 0.455 -4.227 5.403 959 HB3 TYR 130 3HB TYR 130 -1.057 -3.360 5.141 960 HD1 TYR 130 HD2 TYR 130 0.528 -5.252 7.983 961 HD2 TYR 130 HD1 TYR 130 -1.443 -1.656 6.693 962 HE1 TYR 130 HE2 TYR 130 0.645 -4.357 10.290 963 HE2 TYR 130 HE1 TYR 130 -1.324 -0.763 9.002 964 HH TYR 130 HH TYR 130 -0.746 -2.607 11.655 965 H LEU 131 H LEU 131 -0.138 -6.200 3.644 966 HA LEU 131 HA LEU 131 -2.091 -5.425 1.705 967 HB2 LEU 131 2HB LEU 131 0.128 -7.478 1.622 968 HB3 LEU 131 3HB LEU 131 -0.826 -7.038 0.210 969 HG LEU 131 HG LEU 131 0.662 -4.995 1.881 970 HD11 LEU 131 1HD1 LEU 131 1.616 -6.338 -0.667 971 HD12 LEU 131 2HD1 LEU 131 2.232 -6.697 0.945 972 HD13 LEU 131 3HD1 LEU 131 2.470 -5.096 0.249 973 HD21 LEU 131 3HD2 LEU 131 -0.916 -3.861 0.529 974 HD22 LEU 131 1HD2 LEU 131 -0.709 -4.984 -0.815 975 HD23 LEU 131 2HD2 LEU 131 0.549 -3.808 -0.444 976 H GLY 132 H GLY 132 -1.481 -8.509 3.340 977 HA2 GLY 132 2HA GLY 132 -3.543 -9.954 1.929 978 HA3 GLY 132 3HA GLY 132 -2.779 -10.464 3.434 979 H ARG 133 H ARG 133 -3.421 -8.372 5.115 980 HA ARG 133 HA ARG 133 -6.121 -8.978 5.867 981 HB2 ARG 133 2HB ARG 133 -4.209 -6.785 6.698 982 HB3 ARG 133 3HB ARG 133 -5.794 -7.007 7.438 983 HG2 ARG 133 2HG ARG 133 -5.196 -9.261 8.150 984 HG3 ARG 133 3HG ARG 133 -3.650 -9.149 7.305 985 HD2 ARG 133 2HD ARG 133 -2.971 -7.291 8.773 986 HD3 ARG 133 3HD ARG 133 -4.523 -7.373 9.606 987 HE ARG 133 HE ARG 133 -3.523 -9.935 9.861 988 HH11 ARG 133 1HH2 ARG 133 -2.343 -6.753 10.484 989 HH12 ARG 133 2HH2 ARG 133 -1.339 -7.244 11.806 990 HH21 ARG 133 1HH1 ARG 133 -2.218 -10.586 11.581 991 HH22 ARG 133 2HH1 ARG 133 -1.268 -9.411 12.427 992 H LEU 134 H LEU 134 -4.647 -6.274 4.132 993 HA LEU 134 HA LEU 134 -7.042 -4.688 3.991 994 HB2 LEU 134 2HB LEU 134 -4.821 -3.700 3.617 995 HB3 LEU 134 3HB LEU 134 -4.606 -4.708 2.186 996 HG LEU 134 HG LEU 134 -6.505 -3.611 1.086 997 HD11 LEU 134 1HD1 LEU 134 -8.046 -3.012 2.727 998 HD12 LEU 134 2HD1 LEU 134 -7.334 -1.446 2.352 999 HD13 LEU 134 3HD1 LEU 134 -6.814 -2.327 3.790 1000 HD21 LEU 134 3HD2 LEU 134 -5.544 -1.245 1.034 1001 HD22 LEU 134 1HD2 LEU 134 -4.404 -2.543 0.679 1002 HD23 LEU 134 2HD2 LEU 134 -4.404 -1.781 2.268 1003 H THR 135 H THR 135 -5.636 -7.178 1.923 1004 HA THR 135 HA THR 135 -7.313 -6.847 -0.349 1005 HB THR 135 HB THR 135 -6.133 -9.390 0.799 1006 HG1 THR 135 HG1 THR 135 -4.455 -8.925 -0.653 1007 HG21 THR 135 3HG2 THR 135 -6.215 -10.060 -1.668 1008 HG22 THR 135 1HG2 THR 135 -7.311 -8.698 -1.894 1009 HG23 THR 135 2HG2 THR 135 -7.759 -10.021 -0.819 1010 H GLU 136 H GLU 136 -7.724 -8.968 2.492 1011 HA GLU 136 HA GLU 136 -10.285 -9.993 1.679 1012 HB2 GLU 136 2HB GLU 136 -10.481 -10.636 4.114 1013 HB3 GLU 136 3HB GLU 136 -9.007 -11.204 3.328 1014 HG2 GLU 136 2HG GLU 136 -7.770 -9.282 4.245 1015 HG3 GLU 136 3HG GLU 136 -9.234 -8.705 5.036 1016 H VAL 137 H VAL 137 -9.298 -7.191 3.593 1017 HA VAL 137 HA VAL 137 -11.878 -6.478 4.592 1018 HB VAL 137 HB VAL 137 -9.389 -4.879 3.982 1019 HG11 VAL 137 1HG1 VAL 137 -11.079 -3.235 3.729 1020 HG12 VAL 137 2HG1 VAL 137 -10.573 -3.081 5.410 1021 HG13 VAL 137 3HG1 VAL 137 -12.067 -3.932 5.015 1022 HG21 VAL 137 3HG2 VAL 137 -9.036 -4.929 6.321 1023 HG22 VAL 137 1HG2 VAL 137 -9.590 -6.558 5.938 1024 HG23 VAL 137 2HG2 VAL 137 -10.704 -5.393 6.654 1025 H ALA 138 H ALA 138 -10.178 -5.570 1.604 1026 HA ALA 138 HA ALA 138 -12.088 -3.742 0.589 1027 HB1 ALA 138 3HB ALA 138 -11.178 -4.528 -1.679 1028 HB2 ALA 138 1HB ALA 138 -10.169 -5.643 -0.760 1029 HB3 ALA 138 2HB ALA 138 -9.990 -3.902 -0.533 1030 H ALA 139 H ALA 139 -11.999 -7.273 0.476 1031 HA ALA 139 HA ALA 139 -14.440 -7.380 -1.181 1032 HB1 ALA 139 3HB ALA 139 -12.669 -9.053 -1.539 1033 HB2 ALA 139 1HB ALA 139 -14.150 -9.832 -0.984 1034 HB3 ALA 139 2HB ALA 139 -12.815 -9.575 0.139 1035 H GLY 140 H GLY 140 -13.750 -6.906 2.059 1036 HA2 GLY 140 2HA GLY 140 -16.104 -6.621 3.217 1037 HA3 GLY 140 3HA GLY 140 -16.154 -8.373 3.028 1038 H ARG 141 H ARG 141 -16.112 -6.780 5.488 1039 HA ARG 141 HA ARG 141 -13.648 -6.693 6.821 1040 HB2 ARG 141 2HB ARG 141 -16.376 -7.423 7.912 1041 HB3 ARG 141 3HB ARG 141 -14.980 -7.029 8.914 1042 HG2 ARG 141 2HG ARG 141 -14.852 -4.801 7.909 1043 HG3 ARG 141 3HG ARG 141 -16.188 -5.190 6.827 1044 HD2 ARG 141 2HD ARG 141 -17.045 -3.903 8.712 1045 HD3 ARG 141 3HD ARG 141 -17.646 -5.556 8.826 1046 HE ARG 141 HE ARG 141 -15.199 -5.320 10.302 1047 HH11 ARG 141 1HH2 ARG 141 -18.532 -4.412 10.332 1048 HH12 ARG 141 2HH2 ARG 141 -18.623 -4.322 12.060 1049 HH21 ARG 141 1HH1 ARG 141 -15.311 -5.204 12.549 1050 HH22 ARG 141 2HH1 ARG 141 -16.804 -4.771 13.313 1051 H ASP 142 H ASP 142 -13.408 -8.283 8.889 1052 HA ASP 142 HA ASP 142 -13.943 -11.036 8.670 1053 HB2 ASP 142 2HB ASP 142 -12.668 -11.515 6.801 1054 HB3 ASP 142 3HB ASP 142 -11.677 -10.078 6.987 1055 HA PRO 143 HA PRO 143 -10.121 -10.412 11.624 1056 HB2 PRO 143 2HB PRO 143 -9.251 -7.773 11.871 1057 HB3 PRO 143 3HB PRO 143 -8.497 -8.992 10.826 1058 HG2 PRO 143 2HG PRO 143 -10.478 -6.868 10.125 1059 HG3 PRO 143 3HG PRO 143 -9.032 -7.398 9.242 1060 HD2 PRO 143 2HD PRO 143 -11.460 -8.200 8.469 1061 HD3 PRO 143 3HD PRO 143 -10.079 -9.312 8.405 1062 H GLY 144 H GLY 144 -10.407 -10.091 13.820 1063 HA2 GLY 144 2HA GLY 144 -11.551 -8.043 15.246 1064 HA3 GLY 144 3HA GLY 144 -12.948 -8.944 14.661 1065 HA PRO 145 HA PRO 145 -10.592 -12.235 17.281 1066 HB2 PRO 145 2HB PRO 145 -8.268 -11.431 18.543 1067 HB3 PRO 145 3HB PRO 145 -8.299 -12.155 16.924 1068 HG2 PRO 145 2HG PRO 145 -8.118 -9.276 17.701 1069 HG3 PRO 145 3HG PRO 145 -7.243 -10.154 16.435 1070 HD2 PRO 145 2HD PRO 145 -9.375 -8.575 15.855 1071 HD3 PRO 145 3HD PRO 145 -9.028 -10.057 14.942 1072 H ASP 146 H ASP 146 -11.045 -8.976 18.163 1073 HA ASP 146 HA ASP 146 -12.571 -9.459 20.454 1074 HB2 ASP 146 2HB ASP 146 -11.101 -9.840 22.164 1075 HB3 ASP 146 3HB ASP 146 -9.760 -9.754 21.032 1076 HA PRO 147 HA PRO 147 -10.995 -4.796 20.210 1077 HB2 PRO 147 2HB PRO 147 -9.977 -4.888 17.398 1078 HB3 PRO 147 3HB PRO 147 -9.328 -4.020 18.806 1079 HG2 PRO 147 2HG PRO 147 -8.140 -6.211 17.889 1080 HG3 PRO 147 3HG PRO 147 -8.256 -5.899 19.632 1081 HD2 PRO 147 2HD PRO 147 -9.880 -7.775 17.951 1082 HD3 PRO 147 3HD PRO 147 -9.248 -8.009 19.589 1083 H PHE 148 H PHE 148 -12.473 -3.266 19.639 1084 HA PHE 148 HA PHE 148 -14.124 -3.605 17.198 1085 HB2 PHE 148 2HB PHE 148 -16.210 -3.336 18.472 1086 HB3 PHE 148 3HB PHE 148 -15.347 -4.773 19.015 1087 HD1 PHE 148 HD1 PHE 148 -14.123 -4.775 21.169 1088 HD2 PHE 148 HD2 PHE 148 -16.451 -1.393 19.904 1089 HE1 PHE 148 HE1 PHE 148 -14.088 -3.885 23.482 1090 HE2 PHE 148 HE2 PHE 148 -16.413 -0.502 22.219 1091 HZ PHE 148 HZ PHE 148 -15.232 -1.749 24.008 1092 H TYR 149 H TYR 149 -12.530 -1.679 19.499 1093 HA TYR 149 HA TYR 149 -12.212 0.614 19.711 1094 HB2 TYR 149 2HB TYR 149 -13.363 0.681 16.901 1095 HB3 TYR 149 3HB TYR 149 -12.441 1.964 17.679 1096 HD1 TYR 149 HD1 TYR 149 -10.046 1.563 18.335 1097 HD2 TYR 149 HD2 TYR 149 -12.271 -1.219 15.934 1098 HE1 TYR 149 HE1 TYR 149 -7.928 0.494 17.610 1099 HE2 TYR 149 HE2 TYR 149 -10.153 -2.288 15.210 1100 HH TYR 149 HH TYR 149 -7.931 -2.182 15.256 1101 H GLY 150 H GLY 150 -13.371 2.099 20.827 1102 HA2 GLY 150 2HA GLY 150 -15.969 3.033 20.082 1103 HA3 GLY 150 3HA GLY 150 -16.136 1.798 21.329 1104 H ARG 151 H ARG 151 -16.916 4.425 21.809 1105 HA ARG 151 HA ARG 151 -14.925 6.048 23.078 1106 HB2 ARG 151 2HB ARG 151 -17.173 6.871 22.382 1107 HB3 ARG 151 3HB ARG 151 -17.895 5.905 23.670 1108 HG2 ARG 151 2HG ARG 151 -16.667 7.151 25.361 1109 HG3 ARG 151 3HG ARG 151 -15.803 8.052 24.116 1110 HD2 ARG 151 2HD ARG 151 -17.639 9.410 24.998 1111 HD3 ARG 151 3HD ARG 151 -17.960 8.984 23.319 1112 HE ARG 151 HE ARG 151 -19.135 7.203 25.362 1113 HH11 ARG 151 1HH2 ARG 151 -19.491 9.846 23.161 1114 HH12 ARG 151 2HH2 ARG 151 -21.214 9.714 23.088 1115 HH21 ARG 151 1HH1 ARG 151 -21.377 7.033 25.270 1116 HH22 ARG 151 2HH1 ARG 151 -22.282 8.128 24.280 1117 H ARG 152 H ARG 152 -16.944 3.410 24.203 1118 HA ARG 152 HA ARG 152 -16.942 2.185 26.183 1119 HB2 ARG 152 2HB ARG 152 -14.111 3.276 26.301 1120 HB3 ARG 152 3HB ARG 152 -14.741 2.043 27.386 1121 HG2 ARG 152 2HG ARG 152 -15.276 0.622 25.429 1122 HG3 ARG 152 3HG ARG 152 -14.580 1.847 24.368 1123 HD2 ARG 152 2HD ARG 152 -13.088 0.426 26.594 1124 HD3 ARG 152 3HD ARG 152 -12.960 0.034 24.880 1125 HE ARG 152 HE ARG 152 -11.689 2.281 26.218 1126 HH11 ARG 152 1HH2 ARG 152 -13.011 1.084 23.259 1127 HH12 ARG 152 2HH2 ARG 152 -12.061 2.134 22.264 1128 HH21 ARG 152 1HH1 ARG 152 -10.450 3.644 24.935 1129 HH22 ARG 152 2HH1 ARG 152 -10.612 3.583 23.211 1130 H LEU 153 H LEU 153 -16.539 2.438 28.661 1131 HA LEU 153 HA LEU 153 -18.003 4.735 29.561 1132 HB2 LEU 153 2HB LEU 153 -16.319 2.703 31.045 1133 HB3 LEU 153 3HB LEU 153 -17.326 3.905 31.849 1134 HG LEU 153 HG LEU 153 -18.362 1.894 29.828 1135 HD11 LEU 153 1HD1 LEU 153 -19.266 0.657 31.745 1136 HD12 LEU 153 2HD1 LEU 153 -18.536 1.816 32.856 1137 HD13 LEU 153 3HD1 LEU 153 -17.511 0.776 31.867 1138 HD21 LEU 153 3HD2 LEU 153 -19.975 3.577 29.849 1139 HD22 LEU 153 1HD2 LEU 153 -19.621 4.050 31.511 1140 HD23 LEU 153 2HD2 LEU 153 -20.548 2.587 31.187 1141 H GLU 154 H GLU 154 -14.558 3.909 29.670 1142 HA GLU 154 HA GLU 154 -12.693 5.213 30.234 1143 HB2 GLU 154 2HB GLU 154 -14.442 7.213 28.777 1144 HB3 GLU 154 3HB GLU 154 -12.763 7.527 29.220 1145 HG2 GLU 154 2HG GLU 154 -12.020 5.608 27.915 1146 HG3 GLU 154 3HG GLU 154 -13.688 5.194 27.535 1147 H HIS 155 H HIS 155 -12.384 7.841 30.945 1148 HA HIS 155 HA HIS 155 -12.362 9.157 32.871 1149 HB2 HIS 155 2HB HIS 155 -15.325 8.548 32.685 1150 HB3 HIS 155 3HB HIS 155 -14.617 9.789 33.720 1151 HD1 HIS 155 HD1 HIS 155 -15.457 9.027 30.171 1152 HD2 HIS 155 HD2 HIS 155 -13.485 12.026 32.291 1153 HE1 HIS 155 HE1 HIS 155 -15.181 10.971 28.573 1154 H HIS 156 H HIS 156 -13.651 9.168 35.218 1155 HA HIS 156 HA HIS 156 -13.637 8.179 37.331 1156 HB2 HIS 156 2HB HIS 156 -15.465 6.823 36.273 1157 HB3 HIS 156 3HB HIS 156 -14.251 5.630 35.807 1158 HD1 HIS 156 HD1 HIS 156 -13.600 3.922 37.549 1159 HD2 HIS 156 HD2 HIS 156 -15.619 7.166 39.217 1160 HE1 HIS 156 HE1 HIS 156 -14.001 3.342 39.981 1161 H HIS 157 H HIS 157 -12.882 5.021 36.858 1162 HA HIS 157 HA HIS 157 -10.996 3.797 37.492 1163 HB2 HIS 157 2HB HIS 157 -9.841 5.728 35.463 1164 HB3 HIS 157 3HB HIS 157 -8.969 4.328 36.094 1165 HD1 HIS 157 HD1 HIS 157 -11.637 5.297 33.702 1166 HD2 HIS 157 HD2 HIS 157 -10.196 1.771 35.401 1167 HE1 HIS 157 HE1 HIS 157 -12.589 3.395 32.325 1168 H HIS 158 H HIS 158 -10.605 4.196 39.625 1169 HA HIS 158 HA HIS 158 -9.572 6.667 40.662 1170 HB2 HIS 158 2HB HIS 158 -10.857 5.078 42.029 1171 HB3 HIS 158 3HB HIS 158 -9.557 3.897 41.885 1172 HD1 HIS 158 HD1 HIS 158 -9.892 7.540 42.998 1173 HD2 HIS 158 HD2 HIS 158 -7.802 4.075 44.000 1174 HE1 HIS 158 HE1 HIS 158 -8.491 8.111 45.027 1175 H HIS 159 H HIS 159 -7.512 7.359 40.905 1176 HA HIS 159 HA HIS 159 -5.360 5.893 39.619 1177 HB2 HIS 159 2HB HIS 159 -5.375 8.301 39.452 1178 HB3 HIS 159 3HB HIS 159 -5.420 8.470 41.206 1179 HD1 HIS 159 HD1 HIS 159 -3.130 7.154 38.470 1180 HD2 HIS 159 HD2 HIS 159 -2.905 8.498 42.410 1181 HE1 HIS 159 HE1 HIS 159 -0.669 7.260 39.049 1182 H HIS 160 H HIS 160 -3.816 4.651 40.561 1183 HA HIS 160 HA HIS 160 -3.315 4.786 43.462 1184 HB2 HIS 160 2HB HIS 160 -5.234 3.208 43.227 1185 HB3 HIS 160 3HB HIS 160 -4.260 2.226 42.133 1186 HD1 HIS 160 HD1 HIS 160 -2.030 1.172 43.183 1187 HD2 HIS 160 HD2 HIS 160 -4.728 2.764 45.934 1188 HE1 HIS 160 HE1 HIS 160 -1.360 0.267 45.452 Start of MODEL 15 1 H1 MET 1 1H MET 1 15.928 -24.967 5.819 2 H2 MET 1 2H MET 1 16.537 -25.791 4.465 3 H3 MET 1 3H MET 1 15.295 -24.646 4.278 4 HA MET 1 HA MET 1 17.910 -23.871 5.401 5 HB2 MET 1 2HB MET 1 18.293 -25.000 3.213 6 HB3 MET 1 3HB MET 1 17.142 -23.893 2.466 7 HG2 MET 1 2HG MET 1 18.549 -21.977 3.106 8 HG3 MET 1 3HG MET 1 19.695 -23.069 3.885 9 HE1 MET 1 3HE MET 1 20.693 -25.066 2.764 10 HE2 MET 1 1HE MET 1 21.864 -23.751 2.605 11 HE3 MET 1 2HE MET 1 21.570 -24.839 1.253 12 H GLU 2 H GLU 2 17.576 -21.923 6.244 13 HA GLU 2 HA GLU 2 15.230 -20.369 5.949 14 HB2 GLU 2 2HB GLU 2 16.830 -20.156 7.845 15 HB3 GLU 2 3HB GLU 2 18.003 -19.420 6.749 16 HG2 GLU 2 2HG GLU 2 16.439 -17.584 6.274 17 HG3 GLU 2 3HG GLU 2 15.227 -18.327 7.314 18 H LYS 3 H LYS 3 14.654 -18.774 4.598 19 HA LYS 3 HA LYS 3 16.103 -18.492 2.093 20 HB2 LYS 3 2HB LYS 3 13.612 -18.529 2.212 21 HB3 LYS 3 3HB LYS 3 13.658 -16.995 3.086 22 HG2 LYS 3 2HG LYS 3 14.737 -15.900 1.197 23 HG3 LYS 3 3HG LYS 3 14.861 -17.430 0.338 24 HD2 LYS 3 2HD LYS 3 12.959 -16.311 -0.587 25 HD3 LYS 3 3HD LYS 3 12.319 -17.575 0.464 26 HE2 LYS 3 2HE LYS 3 11.760 -16.025 2.171 27 HE3 LYS 3 3HE LYS 3 12.763 -14.757 1.469 28 HZ1 LYS 3 3HZ LYS 3 11.063 -14.088 0.257 29 HZ2 LYS 3 1HZ LYS 3 10.074 -15.238 1.012 30 HZ3 LYS 3 2HZ LYS 3 10.880 -15.630 -0.431 31 H ALA 4 H ALA 4 17.455 -16.921 1.530 32 HA ALA 4 HA ALA 4 18.435 -15.041 3.487 33 HB1 ALA 4 3HB ALA 4 20.023 -14.393 1.831 34 HB2 ALA 4 1HB ALA 4 19.009 -14.986 0.515 35 HB3 ALA 4 2HB ALA 4 19.786 -16.126 1.617 36 H MET 5 H MET 5 18.256 -12.823 3.512 37 HA MET 5 HA MET 5 15.763 -11.763 2.448 38 HB2 MET 5 2HB MET 5 16.800 -9.609 3.643 39 HB3 MET 5 3HB MET 5 16.133 -10.933 4.593 40 HG2 MET 5 2HG MET 5 19.039 -10.985 3.805 41 HG3 MET 5 3HG MET 5 18.514 -10.005 5.174 42 HE1 MET 5 3HE MET 5 20.280 -11.362 6.342 43 HE2 MET 5 1HE MET 5 20.561 -12.702 5.221 44 HE3 MET 5 2HE MET 5 20.122 -13.027 6.895 45 HA PRO 6 HA PRO 6 17.382 -9.819 -1.166 46 HB2 PRO 6 2HB PRO 6 15.883 -7.503 -1.240 47 HB3 PRO 6 3HB PRO 6 15.244 -9.101 -1.671 48 HG2 PRO 6 2HG PRO 6 14.992 -7.596 0.901 49 HG3 PRO 6 3HG PRO 6 13.765 -8.520 0.010 50 HD2 PRO 6 2HD PRO 6 15.018 -9.553 2.169 51 HD3 PRO 6 3HD PRO 6 14.548 -10.575 0.795 52 H GLU 7 H GLU 7 18.986 -8.382 -1.747 53 HA GLU 7 HA GLU 7 20.080 -6.677 0.437 54 HB2 GLU 7 2HB GLU 7 21.347 -7.652 -2.150 55 HB3 GLU 7 3HB GLU 7 22.154 -6.692 -0.910 56 HG2 GLU 7 2HG GLU 7 20.895 -9.392 -0.379 57 HG3 GLU 7 3HG GLU 7 22.605 -9.165 -0.738 58 H SER 8 H SER 8 18.263 -6.512 -2.384 59 HA SER 8 HA SER 8 19.178 -4.097 -3.583 60 HB2 SER 8 2HB SER 8 17.619 -5.647 -4.705 61 HB3 SER 8 3HB SER 8 16.378 -5.277 -3.512 62 HG SER 8 HG SER 8 16.042 -3.972 -5.284 63 H PHE 9 H PHE 9 18.414 -1.981 -3.388 64 HA PHE 9 HA PHE 9 17.502 -1.277 -0.667 65 HB2 PHE 9 2HB PHE 9 18.459 0.459 -2.977 66 HB3 PHE 9 3HB PHE 9 18.025 1.056 -1.377 67 HD1 PHE 9 HD1 PHE 9 19.276 0.065 0.659 68 HD2 PHE 9 HD2 PHE 9 20.653 -0.335 -3.392 69 HE1 PHE 9 HE1 PHE 9 21.557 -0.455 1.484 70 HE2 PHE 9 HE2 PHE 9 22.932 -0.854 -2.567 71 HZ PHE 9 HZ PHE 9 23.384 -0.917 -0.129 72 H VAL 10 H VAL 10 16.045 -2.068 -3.522 73 HA VAL 10 HA VAL 10 13.676 -0.327 -2.943 74 HB VAL 10 HB VAL 10 14.714 -1.296 -5.623 75 HG11 VAL 10 1HG1 VAL 10 12.678 0.032 -6.451 76 HG12 VAL 10 2HG1 VAL 10 12.081 -0.058 -4.794 77 HG13 VAL 10 3HG1 VAL 10 12.341 -1.537 -5.721 78 HG21 VAL 10 3HG2 VAL 10 14.127 1.502 -4.605 79 HG22 VAL 10 1HG2 VAL 10 14.911 1.066 -6.124 80 HG23 VAL 10 2HG2 VAL 10 15.735 0.776 -4.592 81 H VAL 11 H VAL 11 11.825 -1.356 -2.590 82 HA VAL 11 HA VAL 11 11.660 -4.292 -3.168 83 HB VAL 11 HB VAL 11 10.640 -2.726 -0.780 84 HG11 VAL 11 1HG1 VAL 11 9.854 -5.077 -0.075 85 HG12 VAL 11 2HG1 VAL 11 10.025 -5.515 -1.775 86 HG13 VAL 11 3HG1 VAL 11 8.887 -4.253 -1.299 87 HG21 VAL 11 3HG2 VAL 11 12.094 -4.209 0.476 88 HG22 VAL 11 1HG2 VAL 11 13.046 -3.481 -0.816 89 HG23 VAL 11 2HG2 VAL 11 12.468 -5.139 -0.975 90 H ARG 12 H ARG 12 9.946 -4.937 -4.299 91 HA ARG 12 HA ARG 12 7.675 -3.025 -4.700 92 HB2 ARG 12 2HB ARG 12 9.073 -4.802 -6.714 93 HB3 ARG 12 3HB ARG 12 7.509 -4.039 -7.004 94 HG2 ARG 12 2HG ARG 12 8.496 -1.821 -6.623 95 HG3 ARG 12 3HG ARG 12 10.064 -2.564 -6.297 96 HD2 ARG 12 2HD ARG 12 10.094 -3.510 -8.573 97 HD3 ARG 12 3HD ARG 12 8.526 -2.778 -8.907 98 HE ARG 12 HE ARG 12 11.111 -1.372 -8.739 99 HH11 ARG 12 1HH2 ARG 12 7.645 -1.208 -8.820 100 HH12 ARG 12 2HH2 ARG 12 7.616 0.442 -9.346 101 HH21 ARG 12 1HH1 ARG 12 11.064 0.769 -9.422 102 HH22 ARG 12 2HH1 ARG 12 9.544 1.557 -9.684 103 H ARG 13 H ARG 13 5.722 -3.810 -4.335 104 HA ARG 13 HA ARG 13 5.300 -6.764 -4.247 105 HB2 ARG 13 2HB ARG 13 4.185 -4.785 -2.231 106 HB3 ARG 13 3HB ARG 13 3.992 -6.533 -2.221 107 HG2 ARG 13 2HG ARG 13 6.700 -5.195 -2.089 108 HG3 ARG 13 3HG ARG 13 5.789 -5.626 -0.652 109 HD2 ARG 13 2HD ARG 13 6.839 -7.507 -2.787 110 HD3 ARG 13 3HD ARG 13 7.306 -7.443 -1.101 111 HE ARG 13 HE ARG 13 4.522 -7.922 -1.170 112 HH11 ARG 13 1HH2 ARG 13 7.498 -9.427 -2.140 113 HH12 ARG 13 2HH2 ARG 13 6.881 -11.036 -1.956 114 HH21 ARG 13 1HH1 ARG 13 3.732 -10.010 -0.937 115 HH22 ARG 13 2HH1 ARG 13 4.755 -11.365 -1.279 116 H GLU 14 H GLU 14 3.196 -7.438 -4.693 117 HA GLU 14 HA GLU 14 1.311 -5.381 -5.736 118 HB2 GLU 14 2HB GLU 14 2.269 -7.857 -7.204 119 HB3 GLU 14 3HB GLU 14 0.858 -6.911 -7.681 120 HG2 GLU 14 2HG GLU 14 2.248 -4.909 -7.935 121 HG3 GLU 14 3HG GLU 14 3.669 -5.806 -7.400 122 H ALA 15 H ALA 15 -0.848 -5.971 -5.653 123 HA ALA 15 HA ALA 15 -1.620 -8.607 -4.605 124 HB1 ALA 15 3HB ALA 15 -2.035 -6.040 -3.050 125 HB2 ALA 15 1HB ALA 15 -1.148 -7.475 -2.531 126 HB3 ALA 15 2HB ALA 15 -2.899 -7.542 -2.718 127 H HIS 16 H HIS 16 -3.822 -9.039 -4.852 128 HA HIS 16 HA HIS 16 -5.235 -7.202 -6.730 129 HB2 HIS 16 2HB HIS 16 -5.642 -10.158 -6.156 130 HB3 HIS 16 3HB HIS 16 -6.590 -9.201 -7.297 131 HD1 HIS 16 HD1 HIS 16 -5.051 -7.944 -9.214 132 HD2 HIS 16 HD2 HIS 16 -3.374 -11.250 -7.305 133 HE1 HIS 16 HE1 HIS 16 -3.141 -8.732 -10.682 134 H LEU 17 H LEU 17 -6.735 -5.982 -5.856 135 HA LEU 17 HA LEU 17 -8.195 -6.935 -3.424 136 HB2 LEU 17 2HB LEU 17 -7.665 -4.105 -4.384 137 HB3 LEU 17 3HB LEU 17 -8.598 -4.548 -2.956 138 HG LEU 17 HG LEU 17 -6.357 -5.947 -2.393 139 HD11 LEU 17 1HD1 LEU 17 -5.190 -5.288 -4.457 140 HD12 LEU 17 2HD1 LEU 17 -4.375 -4.621 -3.052 141 HD13 LEU 17 3HD1 LEU 17 -5.402 -3.589 -4.046 142 HD21 LEU 17 3HD2 LEU 17 -7.363 -4.258 -0.934 143 HD22 LEU 17 1HD2 LEU 17 -6.721 -2.968 -1.955 144 HD23 LEU 17 2HD2 LEU 17 -5.621 -4.001 -1.040 145 H ALA 18 H ALA 18 -10.291 -7.238 -3.568 146 HA ALA 18 HA ALA 18 -11.665 -6.820 -6.112 147 HB1 ALA 18 3HB ALA 18 -13.562 -7.949 -4.944 148 HB2 ALA 18 1HB ALA 18 -12.600 -7.981 -3.467 149 HB3 ALA 18 2HB ALA 18 -12.070 -8.886 -4.886 150 H ALA 19 H ALA 19 -11.409 -4.456 -5.969 151 HA ALA 19 HA ALA 19 -13.829 -3.186 -5.326 152 HB1 ALA 19 3HB ALA 19 -13.410 -3.250 -3.023 153 HB2 ALA 19 1HB ALA 19 -12.815 -1.655 -3.468 154 HB3 ALA 19 2HB ALA 19 -11.679 -2.981 -3.235 155 HA PRO 20 HA PRO 20 -11.932 -0.276 -8.066 156 HB2 PRO 20 2HB PRO 20 -13.383 2.006 -7.465 157 HB3 PRO 20 3HB PRO 20 -14.003 0.668 -8.447 158 HG2 PRO 20 2HG PRO 20 -14.476 1.277 -5.564 159 HG3 PRO 20 3HG PRO 20 -15.607 0.676 -6.793 160 HD2 PRO 20 2HD PRO 20 -14.477 -0.958 -4.932 161 HD3 PRO 20 3HD PRO 20 -14.901 -1.523 -6.564 162 HA PRO 21 HA PRO 21 -8.765 2.004 -5.998 163 HB2 PRO 21 2HB PRO 21 -8.594 4.309 -7.560 164 HB3 PRO 21 3HB PRO 21 -7.882 2.745 -7.995 165 HG2 PRO 21 2HG PRO 21 -10.442 3.975 -8.907 166 HG3 PRO 21 3HG PRO 21 -9.252 3.027 -9.822 167 HD2 PRO 21 2HD PRO 21 -11.581 1.934 -8.961 168 HD3 PRO 21 3HD PRO 21 -10.079 0.987 -9.052 169 H ALA 22 H ALA 22 -11.758 3.690 -6.690 170 HA ALA 22 HA ALA 22 -11.358 5.976 -5.017 171 HB1 ALA 22 3HB ALA 22 -13.749 6.317 -5.242 172 HB2 ALA 22 1HB ALA 22 -13.989 4.639 -5.727 173 HB3 ALA 22 2HB ALA 22 -13.128 5.752 -6.792 174 H ALA 23 H ALA 23 -12.755 2.774 -4.454 175 HA ALA 23 HA ALA 23 -13.653 3.266 -1.776 176 HB1 ALA 23 3HB ALA 23 -12.877 0.675 -3.164 177 HB2 ALA 23 1HB ALA 23 -14.499 1.371 -3.073 178 HB3 ALA 23 2HB ALA 23 -13.711 0.777 -1.612 179 H VAL 24 H VAL 24 -10.662 1.962 -3.149 180 HA VAL 24 HA VAL 24 -9.386 1.277 -0.695 181 HB VAL 24 HB VAL 24 -8.237 2.041 -3.397 182 HG11 VAL 24 1HG1 VAL 24 -6.937 0.999 -0.872 183 HG12 VAL 24 2HG1 VAL 24 -6.474 2.402 -1.836 184 HG13 VAL 24 3HG1 VAL 24 -6.204 0.775 -2.462 185 HG21 VAL 24 3HG2 VAL 24 -9.653 -0.013 -3.312 186 HG22 VAL 24 1HG2 VAL 24 -8.615 -0.649 -2.036 187 HG23 VAL 24 2HG2 VAL 24 -7.963 -0.386 -3.652 188 H PHE 25 H PHE 25 -9.251 4.222 -2.693 189 HA PHE 25 HA PHE 25 -7.397 5.650 -1.077 190 HB2 PHE 25 2HB PHE 25 -7.985 6.383 -3.353 191 HB3 PHE 25 3HB PHE 25 -9.634 6.733 -2.829 192 HD1 PHE 25 HD2 PHE 25 -6.087 7.496 -1.833 193 HD2 PHE 25 HD1 PHE 25 -10.128 8.926 -2.162 194 HE1 PHE 25 HE2 PHE 25 -5.362 9.734 -1.048 195 HE2 PHE 25 HE1 PHE 25 -9.400 11.161 -1.376 196 HZ PHE 25 HZ PHE 25 -7.017 11.566 -0.819 197 H ALA 26 H ALA 26 -10.942 5.478 -1.026 198 HA ALA 26 HA ALA 26 -11.434 7.442 0.938 199 HB1 ALA 26 3HB ALA 26 -12.968 4.845 0.569 200 HB2 ALA 26 1HB ALA 26 -13.191 6.282 -0.432 201 HB3 ALA 26 2HB ALA 26 -13.573 6.338 1.287 202 H LEU 27 H LEU 27 -10.593 4.023 1.240 203 HA LEU 27 HA LEU 27 -10.878 3.826 4.071 204 HB2 LEU 27 2HB LEU 27 -9.134 2.307 2.106 205 HB3 LEU 27 3HB LEU 27 -9.270 1.877 3.805 206 HG LEU 27 HG LEU 27 -11.671 2.122 1.968 207 HD11 LEU 27 1HD1 LEU 27 -11.630 -0.257 1.679 208 HD12 LEU 27 2HD1 LEU 27 -10.331 -0.445 2.856 209 HD13 LEU 27 3HD1 LEU 27 -10.007 0.304 1.299 210 HD21 LEU 27 3HD2 LEU 27 -11.197 1.202 4.805 211 HD22 LEU 27 1HD2 LEU 27 -12.528 0.516 3.880 212 HD23 LEU 27 2HD2 LEU 27 -12.470 2.244 4.170 213 H MET 28 H MET 28 -8.156 4.720 2.001 214 HA MET 28 HA MET 28 -6.207 4.942 4.079 215 HB2 MET 28 2HB MET 28 -6.399 6.200 1.329 216 HB3 MET 28 3HB MET 28 -5.002 6.406 2.387 217 HG2 MET 28 2HG MET 28 -4.741 3.934 2.486 218 HG3 MET 28 3HG MET 28 -6.088 3.764 1.359 219 HE1 MET 28 3HE MET 28 -4.860 2.409 -0.127 220 HE2 MET 28 1HE MET 28 -3.222 2.460 0.539 221 HE3 MET 28 2HE MET 28 -3.500 2.849 -1.156 222 H THR 29 H THR 29 -8.523 7.236 2.713 223 HA THR 29 HA THR 29 -7.479 9.484 4.264 224 HB THR 29 HB THR 29 -9.469 10.673 3.322 225 HG1 THR 29 HG1 THR 29 -10.059 8.579 1.646 226 HG21 THR 29 3HG2 THR 29 -7.240 10.275 2.068 227 HG22 THR 29 1HG2 THR 29 -8.633 10.778 1.112 228 HG23 THR 29 2HG2 THR 29 -8.139 9.085 1.127 229 H ASP 30 H ASP 30 -10.852 8.389 4.103 230 HA ASP 30 HA ASP 30 -11.931 9.263 6.379 231 HB2 ASP 30 2HB ASP 30 -12.156 6.435 5.377 232 HB3 ASP 30 3HB ASP 30 -13.202 7.131 6.612 233 HA PRO 31 HA PRO 31 -8.579 7.885 9.227 234 HB2 PRO 31 2HB PRO 31 -10.365 9.527 11.008 235 HB3 PRO 31 3HB PRO 31 -8.595 9.543 10.864 236 HG2 PRO 31 2HG PRO 31 -10.043 11.475 9.785 237 HG3 PRO 31 3HG PRO 31 -8.640 10.813 8.921 238 HD2 PRO 31 2HD PRO 31 -11.557 10.330 8.432 239 HD3 PRO 31 3HD PRO 31 -10.218 10.478 7.267 240 H GLU 32 H GLU 32 -12.058 7.945 9.863 241 HA GLU 32 HA GLU 32 -12.123 6.171 12.075 242 HB2 GLU 32 2HB GLU 32 -14.003 7.652 11.295 243 HB3 GLU 32 3HB GLU 32 -14.279 6.518 9.970 244 HG2 GLU 32 2HG GLU 32 -15.786 5.908 11.746 245 HG3 GLU 32 3HG GLU 32 -14.516 4.692 11.713 246 H LYS 33 H LYS 33 -12.283 5.527 8.579 247 HA LYS 33 HA LYS 33 -12.904 2.754 8.782 248 HB2 LYS 33 2HB LYS 33 -11.412 4.257 6.609 249 HB3 LYS 33 3HB LYS 33 -12.007 2.611 6.461 250 HG2 LYS 33 2HG LYS 33 -13.820 4.919 7.187 251 HG3 LYS 33 3HG LYS 33 -13.526 4.440 5.514 252 HD2 LYS 33 2HD LYS 33 -14.220 2.060 6.284 253 HD3 LYS 33 3HD LYS 33 -14.878 2.863 7.710 254 HE2 LYS 33 2HE LYS 33 -16.665 2.696 6.127 255 HE3 LYS 33 3HE LYS 33 -16.156 4.384 6.156 256 HZ1 LYS 33 3HZ LYS 33 -14.704 2.782 4.262 257 HZ2 LYS 33 1HZ LYS 33 -15.467 4.284 4.054 258 HZ3 LYS 33 2HZ LYS 33 -16.371 2.850 3.940 259 H ILE 34 H ILE 34 -9.847 4.490 8.919 260 HA ILE 34 HA ILE 34 -8.124 2.247 8.613 261 HB ILE 34 HB ILE 34 -7.744 4.877 10.074 262 HG12 ILE 34 2HG1 ILE 34 -6.661 3.884 7.417 263 HG13 ILE 34 3HG1 ILE 34 -8.114 4.868 7.569 264 HG21 ILE 34 1HG2 ILE 34 -5.821 2.610 9.500 265 HG22 ILE 34 2HG2 ILE 34 -6.159 3.378 11.051 266 HG23 ILE 34 3HG2 ILE 34 -5.270 4.256 9.810 267 HD11 ILE 34 3HD1 ILE 34 -6.328 6.392 7.109 268 HD12 ILE 34 1HD1 ILE 34 -5.281 5.631 8.306 269 HD13 ILE 34 2HD1 ILE 34 -6.686 6.563 8.829 270 H LEU 35 H LEU 35 -9.585 3.727 11.490 271 HA LEU 35 HA LEU 35 -8.335 2.102 13.446 272 HB2 LEU 35 2HB LEU 35 -11.070 3.415 13.473 273 HB3 LEU 35 3HB LEU 35 -10.269 2.740 14.886 274 HG LEU 35 HG LEU 35 -9.052 4.906 13.146 275 HD11 LEU 35 1HD1 LEU 35 -11.066 5.787 14.208 276 HD12 LEU 35 2HD1 LEU 35 -9.647 6.434 15.031 277 HD13 LEU 35 3HD1 LEU 35 -10.571 5.123 15.765 278 HD21 LEU 35 3HD2 LEU 35 -7.275 3.923 14.305 279 HD22 LEU 35 1HD2 LEU 35 -8.267 3.505 15.702 280 HD23 LEU 35 2HD2 LEU 35 -7.763 5.170 15.438 281 H ARG 36 H ARG 36 -10.833 1.384 11.173 282 HA ARG 36 HA ARG 36 -12.210 -0.689 12.532 283 HB2 ARG 36 2HB ARG 36 -12.949 0.315 10.370 284 HB3 ARG 36 3HB ARG 36 -11.622 -0.518 9.558 285 HG2 ARG 36 2HG ARG 36 -12.505 -2.685 10.234 286 HG3 ARG 36 3HG ARG 36 -13.776 -1.904 11.172 287 HD2 ARG 36 2HD ARG 36 -14.705 -2.621 9.035 288 HD3 ARG 36 3HD ARG 36 -14.629 -0.858 9.060 289 HE ARG 36 HE ARG 36 -12.221 -1.894 7.916 290 HH11 ARG 36 1HH2 ARG 36 -15.619 -1.521 7.295 291 HH12 ARG 36 2HH2 ARG 36 -15.415 -1.423 5.577 292 HH21 ARG 36 1HH1 ARG 36 -11.969 -1.764 5.687 293 HH22 ARG 36 2HH1 ARG 36 -13.358 -1.563 4.670 294 H TRP 37 H TRP 37 -9.273 -0.825 10.473 295 HA TRP 37 HA TRP 37 -8.926 -3.677 11.317 296 HB2 TRP 37 2HB TRP 37 -7.279 -3.761 9.418 297 HB3 TRP 37 3HB TRP 37 -8.948 -3.480 8.939 298 HD1 TRP 37 HD1 TRP 37 -9.601 -1.051 8.075 299 HE1 TRP 37 HE1 TRP 37 -8.177 0.869 7.118 300 HE3 TRP 37 HE3 TRP 37 -4.949 -2.579 9.540 301 HZ2 TRP 37 HZ2 TRP 37 -5.435 1.658 6.985 302 HZ3 TRP 37 HZ3 TRP 37 -2.951 -1.221 8.980 303 HH2 TRP 37 HH2 TRP 37 -3.188 0.892 7.706 304 H MET 38 H MET 38 -7.579 -0.502 11.699 305 HA MET 38 HA MET 38 -4.983 -1.584 12.662 306 HB2 MET 38 2HB MET 38 -5.121 0.495 11.213 307 HB3 MET 38 3HB MET 38 -5.878 1.313 12.581 308 HG2 MET 38 2HG MET 38 -3.536 1.789 12.727 309 HG3 MET 38 3HG MET 38 -3.875 0.596 13.974 310 HE1 MET 38 3HE MET 38 -0.550 0.382 11.228 311 HE2 MET 38 1HE MET 38 -1.112 1.459 12.513 312 HE3 MET 38 2HE MET 38 -1.854 1.525 10.916 313 H GLY 39 H GLY 39 -7.500 0.642 13.878 314 HA2 GLY 39 2HA GLY 39 -8.443 0.824 16.012 315 HA3 GLY 39 3HA GLY 39 -7.563 -0.629 16.483 316 H THR 40 H THR 40 -7.204 0.592 18.476 317 HA THR 40 HA THR 40 -5.810 1.729 19.939 318 HB THR 40 HB THR 40 -3.863 1.913 17.632 319 HG1 THR 40 HG1 THR 40 -4.726 -0.236 17.977 320 HG21 THR 40 3HG2 THR 40 -3.579 1.776 20.643 321 HG22 THR 40 1HG2 THR 40 -3.238 3.167 19.616 322 HG23 THR 40 2HG2 THR 40 -2.227 1.725 19.510 323 H GLU 41 H GLU 41 -4.807 3.271 16.903 324 HA GLU 41 HA GLU 41 -6.401 5.645 17.308 325 HB2 GLU 41 2HB GLU 41 -4.699 5.947 19.101 326 HB3 GLU 41 3HB GLU 41 -3.432 5.885 17.873 327 HG2 GLU 41 2HG GLU 41 -4.414 7.841 16.741 328 HG3 GLU 41 3HG GLU 41 -5.705 7.894 17.937 329 H ALA 42 H ALA 42 -6.249 7.070 15.566 330 HA ALA 42 HA ALA 42 -4.228 6.960 13.542 331 HB1 ALA 42 3HB ALA 42 -5.390 4.762 13.148 332 HB2 ALA 42 1HB ALA 42 -5.413 5.850 11.766 333 HB3 ALA 42 2HB ALA 42 -6.855 5.668 12.765 334 H GLU 43 H GLU 43 -4.235 8.975 12.835 335 HA GLU 43 HA GLU 43 -6.801 10.295 12.136 336 HB2 GLU 43 2HB GLU 43 -4.661 11.426 13.956 337 HB3 GLU 43 3HB GLU 43 -5.903 12.415 13.185 338 HG2 GLU 43 2HG GLU 43 -6.518 10.018 14.934 339 HG3 GLU 43 3HG GLU 43 -6.489 11.673 15.525 340 H VAL 44 H VAL 44 -6.650 10.905 10.101 341 HA VAL 44 HA VAL 44 -3.968 11.566 8.955 342 HB VAL 44 HB VAL 44 -6.541 10.679 7.597 343 HG11 VAL 44 1HG1 VAL 44 -5.381 12.096 6.068 344 HG12 VAL 44 2HG1 VAL 44 -4.939 10.449 5.614 345 HG13 VAL 44 3HG1 VAL 44 -3.811 11.443 6.538 346 HG21 VAL 44 3HG2 VAL 44 -3.894 9.273 8.102 347 HG22 VAL 44 1HG2 VAL 44 -5.190 8.636 7.090 348 HG23 VAL 44 2HG2 VAL 44 -5.450 8.857 8.820 349 H GLU 45 H GLU 45 -7.334 12.648 9.183 350 HA GLU 45 HA GLU 45 -8.346 14.702 8.780 351 HB2 GLU 45 2HB GLU 45 -5.548 15.624 9.484 352 HB3 GLU 45 3HB GLU 45 -6.925 16.708 9.301 353 HG2 GLU 45 2HG GLU 45 -6.964 14.352 11.203 354 HG3 GLU 45 3HG GLU 45 -6.409 15.953 11.690 355 HA PRO 46 HA PRO 46 -6.845 14.531 4.365 356 HB2 PRO 46 2HB PRO 46 -9.750 15.285 4.144 357 HB3 PRO 46 3HB PRO 46 -8.809 14.147 3.161 358 HG2 PRO 46 2HG PRO 46 -10.487 13.248 4.984 359 HG3 PRO 46 3HG PRO 46 -8.888 12.488 4.798 360 HD2 PRO 46 2HD PRO 46 -9.830 14.405 6.911 361 HD3 PRO 46 3HD PRO 46 -8.762 12.994 7.072 362 H GLU 47 H GLU 47 -8.882 16.906 6.013 363 HA GLU 47 HA GLU 47 -8.869 19.065 4.354 364 HB2 GLU 47 2HB GLU 47 -8.600 20.461 6.559 365 HB3 GLU 47 3HB GLU 47 -9.993 19.404 6.374 366 HG2 GLU 47 2HG GLU 47 -8.940 17.682 7.706 367 HG3 GLU 47 3HG GLU 47 -7.415 18.568 7.733 368 HA PRO 48 HA PRO 48 -4.797 20.490 3.460 369 HB2 PRO 48 2HB PRO 48 -5.510 23.196 4.525 370 HB3 PRO 48 3HB PRO 48 -4.890 22.740 2.926 371 HG2 PRO 48 2HG PRO 48 -7.467 23.419 3.363 372 HG3 PRO 48 3HG PRO 48 -6.973 22.268 2.107 373 HD2 PRO 48 2HD PRO 48 -8.342 21.747 4.690 374 HD3 PRO 48 3HD PRO 48 -8.344 20.802 3.193 375 H GLY 49 H GLY 49 -2.891 20.441 4.513 376 HA2 GLY 49 2HA GLY 49 -1.295 20.666 6.212 377 HA3 GLY 49 3HA GLY 49 -2.473 21.594 7.143 378 H GLY 50 H GLY 50 -4.224 20.351 8.158 379 HA2 GLY 50 2HA GLY 50 -4.826 18.756 9.750 380 HA3 GLY 50 3HA GLY 50 -4.449 17.609 8.468 381 H LEU 51 H LEU 51 -3.976 16.491 10.675 382 HA LEU 51 HA LEU 51 -1.433 17.100 11.933 383 HB2 LEU 51 2HB LEU 51 -3.106 14.563 12.095 384 HB3 LEU 51 3HB LEU 51 -1.811 15.035 13.196 385 HG LEU 51 HG LEU 51 -4.378 16.592 12.761 386 HD11 LEU 51 1HD1 LEU 51 -3.494 15.053 15.217 387 HD12 LEU 51 2HD1 LEU 51 -4.571 14.376 13.995 388 HD13 LEU 51 3HD1 LEU 51 -5.067 15.793 14.920 389 HD21 LEU 51 3HD2 LEU 51 -1.892 17.049 14.408 390 HD22 LEU 51 1HD2 LEU 51 -3.442 17.681 14.963 391 HD23 LEU 51 2HD2 LEU 51 -2.793 18.197 13.413 392 H TYR 52 H TYR 52 0.515 16.161 11.606 393 HA TYR 52 HA TYR 52 0.864 14.625 9.086 394 HB2 TYR 52 2HB TYR 52 2.884 16.006 10.892 395 HB3 TYR 52 3HB TYR 52 3.259 15.204 9.366 396 HD1 TYR 52 HD2 TYR 52 1.610 18.105 10.934 397 HD2 TYR 52 HD1 TYR 52 2.584 16.168 7.226 398 HE1 TYR 52 HE2 TYR 52 1.012 20.171 9.698 399 HE2 TYR 52 HE1 TYR 52 1.987 18.235 5.991 400 HH TYR 52 HH TYR 52 1.582 21.222 7.494 401 H LEU 53 H LEU 53 0.359 13.920 12.261 402 HA LEU 53 HA LEU 53 2.189 11.548 12.242 403 HB2 LEU 53 2HB LEU 53 0.754 12.776 14.614 404 HB3 LEU 53 3HB LEU 53 2.007 11.535 14.639 405 HG LEU 53 HG LEU 53 2.385 14.374 13.634 406 HD11 LEU 53 1HD1 LEU 53 2.238 14.477 16.013 407 HD12 LEU 53 2HD1 LEU 53 3.964 14.427 15.653 408 HD13 LEU 53 3HD1 LEU 53 3.136 12.969 16.207 409 HD21 LEU 53 3HD2 LEU 53 4.860 13.531 13.833 410 HD22 LEU 53 1HD2 LEU 53 3.916 13.071 12.422 411 HD23 LEU 53 2HD2 LEU 53 4.143 11.924 13.744 412 H VAL 54 H VAL 54 1.357 9.564 12.289 413 HA VAL 54 HA VAL 54 -1.597 9.238 12.639 414 HB VAL 54 HB VAL 54 0.204 8.000 10.535 415 HG11 VAL 54 1HG1 VAL 54 -2.039 6.911 9.846 416 HG12 VAL 54 2HG1 VAL 54 -2.573 7.281 11.485 417 HG13 VAL 54 3HG1 VAL 54 -1.194 6.215 11.227 418 HG21 VAL 54 3HG2 VAL 54 -0.756 10.308 10.140 419 HG22 VAL 54 1HG2 VAL 54 -2.363 9.593 10.271 420 HG23 VAL 54 2HG2 VAL 54 -1.283 9.097 8.971 421 H ASN 55 H ASN 55 -2.200 7.623 13.916 422 HA ASN 55 HA ASN 55 -2.027 6.013 15.584 423 HB2 ASN 55 2HB ASN 55 -1.845 4.708 13.434 424 HB3 ASN 55 3HB ASN 55 -0.093 4.753 13.624 425 HD21 ASN 55 1HD2 ASN 55 -0.078 2.371 13.888 426 HD22 ASN 55 2HD2 ASN 55 -0.581 1.667 15.350 427 H VAL 56 H VAL 56 0.734 4.455 15.406 428 HA VAL 56 HA VAL 56 2.598 4.386 16.805 429 HB VAL 56 HB VAL 56 2.811 7.304 16.007 430 HG11 VAL 56 1HG1 VAL 56 5.121 7.081 16.471 431 HG12 VAL 56 2HG1 VAL 56 5.040 5.320 16.484 432 HG13 VAL 56 3HG1 VAL 56 4.358 6.241 17.811 433 HG21 VAL 56 3HG2 VAL 56 3.961 4.917 14.549 434 HG22 VAL 56 1HG2 VAL 56 3.911 6.593 14.008 435 HG23 VAL 56 2HG2 VAL 56 2.428 5.651 14.092 436 H THR 57 H THR 57 2.718 7.654 17.667 437 HA THR 57 HA THR 57 1.030 7.407 20.055 438 HB THR 57 HB THR 57 3.273 6.392 20.637 439 HG1 THR 57 HG1 THR 57 2.825 8.827 21.993 440 HG21 THR 57 3HG2 THR 57 5.228 7.710 20.688 441 HG22 THR 57 1HG2 THR 57 4.323 9.215 20.528 442 HG23 THR 57 2HG2 THR 57 4.489 8.135 19.146 443 H GLY 58 H GLY 58 0.502 9.369 20.921 444 HA2 GLY 58 2HA GLY 58 1.027 11.710 19.195 445 HA3 GLY 58 3HA GLY 58 -0.225 11.584 20.429 446 H ALA 59 H ALA 59 3.112 12.291 19.805 447 HA ALA 59 HA ALA 59 3.297 13.900 22.205 448 HB1 ALA 59 3HB ALA 59 5.208 11.562 22.008 449 HB2 ALA 59 1HB ALA 59 3.744 11.517 22.993 450 HB3 ALA 59 2HB ALA 59 5.010 12.691 23.349 451 H ARG 60 H ARG 60 3.717 13.763 19.143 452 HA ARG 60 HA ARG 60 6.347 15.180 19.148 453 HB2 ARG 60 2HB ARG 60 5.309 13.209 17.093 454 HB3 ARG 60 3HB ARG 60 6.710 14.250 16.848 455 HG2 ARG 60 2HG ARG 60 6.585 12.527 19.315 456 HG3 ARG 60 3HG ARG 60 7.027 11.787 17.781 457 HD2 ARG 60 2HD ARG 60 8.403 14.202 19.012 458 HD3 ARG 60 3HD ARG 60 9.028 12.557 19.028 459 HE ARG 60 HE ARG 60 8.496 13.236 16.328 460 HH11 ARG 60 1HH2 ARG 60 10.567 14.185 18.957 461 HH12 ARG 60 2HH2 ARG 60 11.843 14.717 17.912 462 HH21 ARG 60 1HH1 ARG 60 10.158 13.941 14.991 463 HH22 ARG 60 2HH1 ARG 60 11.609 14.588 15.679 464 H PHE 61 H PHE 61 6.541 16.892 17.732 465 HA PHE 61 HA PHE 61 4.030 18.243 17.070 466 HB2 PHE 61 2HB PHE 61 5.501 20.135 16.487 467 HB3 PHE 61 3HB PHE 61 5.893 19.496 18.080 468 HD1 PHE 61 HD1 PHE 61 7.955 18.231 18.464 469 HD2 PHE 61 HD2 PHE 61 6.997 19.802 14.582 470 HE1 PHE 61 HE1 PHE 61 10.286 17.824 17.723 471 HE2 PHE 61 HE2 PHE 61 9.329 19.396 13.843 472 HZ PHE 61 HZ PHE 61 10.972 18.404 15.413 473 H ALA 62 H ALA 62 6.643 16.608 15.399 474 HA ALA 62 HA ALA 62 5.070 16.372 12.984 475 HB1 ALA 62 3HB ALA 62 6.510 17.626 11.492 476 HB2 ALA 62 1HB ALA 62 7.599 18.036 12.817 477 HB3 ALA 62 2HB ALA 62 5.965 18.703 12.777 478 H ARG 63 H ARG 63 5.988 14.913 11.501 479 HA ARG 63 HA ARG 63 8.589 13.661 12.121 480 HB2 ARG 63 2HB ARG 63 6.948 12.427 13.524 481 HB3 ARG 63 3HB ARG 63 6.013 12.052 12.079 482 HG2 ARG 63 2HG ARG 63 7.936 10.840 11.128 483 HG3 ARG 63 3HG ARG 63 8.903 11.246 12.548 484 HD2 ARG 63 2HD ARG 63 7.316 10.022 13.987 485 HD3 ARG 63 3HD ARG 63 6.333 9.629 12.577 486 HE ARG 63 HE ARG 63 8.947 8.709 12.040 487 HH11 ARG 63 1HH2 ARG 63 6.342 8.136 14.270 488 HH12 ARG 63 2HH2 ARG 63 6.780 6.481 14.538 489 HH21 ARG 63 1HH1 ARG 63 9.506 6.562 12.404 490 HH22 ARG 63 2HH1 ARG 63 8.562 5.594 13.488 491 H GLY 64 H GLY 64 5.879 12.257 10.334 492 HA2 GLY 64 2HA GLY 64 7.546 12.209 7.895 493 HA3 GLY 64 3HA GLY 64 6.064 11.295 8.161 494 H SER 65 H SER 65 7.394 13.920 6.602 495 HA SER 65 HA SER 65 5.011 15.607 6.521 496 HB2 SER 65 2HB SER 65 6.357 16.838 4.761 497 HB3 SER 65 3HB SER 65 7.115 16.734 6.346 498 HG SER 65 HG SER 65 8.696 15.744 5.398 499 H PHE 66 H PHE 66 4.080 16.213 4.383 500 HA PHE 66 HA PHE 66 3.498 13.753 2.822 501 HB2 PHE 66 2HB PHE 66 2.083 16.419 3.112 502 HB3 PHE 66 3HB PHE 66 1.663 15.270 1.843 503 HD1 PHE 66 HD2 PHE 66 1.176 12.825 2.586 504 HD2 PHE 66 HD1 PHE 66 1.087 16.194 5.254 505 HE1 PHE 66 HE2 PHE 66 -0.238 11.539 4.165 506 HE2 PHE 66 HE1 PHE 66 -0.331 14.904 6.830 507 HZ PHE 66 HZ PHE 66 -0.993 12.577 6.285 508 H ARG 67 H ARG 67 4.541 13.457 0.974 509 HA ARG 67 HA ARG 67 6.076 15.609 -0.276 510 HB2 ARG 67 2HB ARG 67 6.791 13.148 -0.141 511 HB3 ARG 67 3HB ARG 67 5.604 12.834 -1.403 512 HG2 ARG 67 2HG ARG 67 6.704 14.460 -2.875 513 HG3 ARG 67 3HG ARG 67 7.873 14.833 -1.611 514 HD2 ARG 67 2HD ARG 67 8.603 12.451 -1.627 515 HD3 ARG 67 3HD ARG 67 7.491 12.143 -2.957 516 HE ARG 67 HE ARG 67 8.950 13.319 -4.417 517 HH11 ARG 67 1HH2 ARG 67 9.879 13.599 -1.087 518 HH12 ARG 67 2HH2 ARG 67 11.427 14.282 -1.449 519 HH21 ARG 67 1HH1 ARG 67 10.960 14.219 -4.882 520 HH22 ARG 67 2HH1 ARG 67 12.039 14.631 -3.591 521 H GLU 68 H GLU 68 3.922 13.251 -1.817 522 HA GLU 68 HA GLU 68 2.367 15.440 -3.064 523 HB2 GLU 68 2HB GLU 68 3.908 13.294 -4.539 524 HB3 GLU 68 3HB GLU 68 2.565 14.173 -5.271 525 HG2 GLU 68 2HG GLU 68 4.996 15.507 -4.048 526 HG3 GLU 68 3HG GLU 68 4.817 15.178 -5.767 527 H VAL 69 H VAL 69 0.282 14.945 -3.360 528 HA VAL 69 HA VAL 69 -0.589 12.130 -2.834 529 HB VAL 69 HB VAL 69 -1.731 14.717 -1.742 530 HG11 VAL 69 1HG1 VAL 69 -3.652 13.468 -2.356 531 HG12 VAL 69 2HG1 VAL 69 -3.401 13.084 -0.654 532 HG13 VAL 69 3HG1 VAL 69 -2.906 11.937 -1.900 533 HG21 VAL 69 3HG2 VAL 69 -0.669 12.186 -0.443 534 HG22 VAL 69 1HG2 VAL 69 -1.349 13.565 0.422 535 HG23 VAL 69 2HG2 VAL 69 0.152 13.746 -0.487 536 H VAL 70 H VAL 70 -1.905 11.320 -4.289 537 HA VAL 70 HA VAL 70 -3.530 13.083 -6.017 538 HB VAL 70 HB VAL 70 -1.967 10.873 -7.312 539 HG11 VAL 70 1HG1 VAL 70 -2.455 12.102 -9.298 540 HG12 VAL 70 2HG1 VAL 70 -2.913 13.539 -8.384 541 HG13 VAL 70 3HG1 VAL 70 -3.948 12.110 -8.361 542 HG21 VAL 70 3HG2 VAL 70 -1.037 13.730 -6.848 543 HG22 VAL 70 1HG2 VAL 70 -0.269 12.580 -7.944 544 HG23 VAL 70 2HG2 VAL 70 -0.276 12.273 -6.208 545 HA PRO 71 HA PRO 71 -6.062 9.599 -4.362 546 HB2 PRO 71 2HB PRO 71 -8.130 11.304 -5.704 547 HB3 PRO 71 3HB PRO 71 -8.151 10.572 -4.087 548 HG2 PRO 71 2HG PRO 71 -7.708 13.178 -4.429 549 HG3 PRO 71 3HG PRO 71 -6.863 12.255 -3.170 550 HD2 PRO 71 2HD PRO 71 -5.820 13.269 -5.780 551 HD3 PRO 71 3HD PRO 71 -4.980 13.058 -4.224 552 H VAL 72 H VAL 72 -7.259 7.953 -5.394 553 HA VAL 72 HA VAL 72 -7.333 6.343 -7.098 554 HB VAL 72 HB VAL 72 -8.932 7.028 -8.873 555 HG11 VAL 72 1HG1 VAL 72 -9.740 6.295 -6.668 556 HG12 VAL 72 2HG1 VAL 72 -10.799 7.531 -7.346 557 HG13 VAL 72 3HG1 VAL 72 -9.650 7.954 -6.076 558 HG21 VAL 72 3HG2 VAL 72 -8.931 9.746 -7.534 559 HG22 VAL 72 1HG2 VAL 72 -9.788 9.262 -8.998 560 HG23 VAL 72 2HG2 VAL 72 -8.031 9.413 -9.014 561 H HIS 73 H HIS 73 -4.829 7.587 -7.201 562 HA HIS 73 HA HIS 73 -4.175 7.156 -10.027 563 HB2 HIS 73 2HB HIS 73 -4.759 9.570 -9.956 564 HB3 HIS 73 3HB HIS 73 -3.536 9.814 -8.709 565 HD1 HIS 73 HD1 HIS 73 -3.786 8.536 -12.290 566 HD2 HIS 73 HD2 HIS 73 -0.997 10.269 -9.725 567 HE1 HIS 73 HE1 HIS 73 -1.722 8.995 -13.683 568 H ARG 74 H ARG 74 -2.462 8.954 -7.472 569 HA ARG 74 HA ARG 74 -0.712 6.680 -6.871 570 HB2 ARG 74 2HB ARG 74 0.257 7.616 -8.962 571 HB3 ARG 74 3HB ARG 74 0.431 9.177 -8.160 572 HG2 ARG 74 2HG ARG 74 1.901 8.143 -6.459 573 HG3 ARG 74 3HG ARG 74 1.725 6.581 -7.263 574 HD2 ARG 74 2HD ARG 74 2.662 7.615 -9.351 575 HD3 ARG 74 3HD ARG 74 2.966 9.090 -8.436 576 HE ARG 74 HE ARG 74 4.143 6.753 -7.175 577 HH11 ARG 74 1HH2 ARG 74 4.513 9.152 -9.664 578 HH12 ARG 74 2HH2 ARG 74 6.243 9.056 -9.664 579 HH21 ARG 74 1HH1 ARG 74 6.392 6.642 -7.186 580 HH22 ARG 74 2HH1 ARG 74 7.299 7.643 -8.269 581 H LEU 75 H LEU 75 0.462 6.955 -5.002 582 HA LEU 75 HA LEU 75 0.042 9.499 -3.484 583 HB2 LEU 75 2HB LEU 75 -0.029 6.671 -2.378 584 HB3 LEU 75 3HB LEU 75 -0.214 8.156 -1.450 585 HG LEU 75 HG LEU 75 -2.057 7.305 -3.706 586 HD11 LEU 75 1HD1 LEU 75 -2.528 7.272 -0.706 587 HD12 LEU 75 2HD1 LEU 75 -2.213 5.839 -1.687 588 HD13 LEU 75 3HD1 LEU 75 -3.678 6.784 -1.953 589 HD21 LEU 75 3HD2 LEU 75 -2.247 9.636 -3.580 590 HD22 LEU 75 1HD2 LEU 75 -1.917 9.679 -1.850 591 HD23 LEU 75 2HD2 LEU 75 -3.481 9.129 -2.442 592 H ALA 76 H ALA 76 1.738 10.207 -2.294 593 HA ALA 76 HA ALA 76 4.168 8.551 -2.037 594 HB1 ALA 76 3HB ALA 76 4.476 9.704 -4.182 595 HB2 ALA 76 1HB ALA 76 5.595 10.332 -2.976 596 HB3 ALA 76 2HB ALA 76 4.156 11.257 -3.408 597 H TYR 77 H TYR 77 5.043 8.844 -0.108 598 HA TYR 77 HA TYR 77 5.115 11.392 1.250 599 HB2 TYR 77 2HB TYR 77 3.718 10.714 3.182 600 HB3 TYR 77 3HB TYR 77 2.780 10.832 1.694 601 HD1 TYR 77 HD2 TYR 77 2.002 8.809 0.524 602 HD2 TYR 77 HD1 TYR 77 4.137 8.558 4.244 603 HE1 TYR 77 HE2 TYR 77 1.274 6.455 0.783 604 HE2 TYR 77 HE1 TYR 77 3.406 6.200 4.502 605 HH TYR 77 HH TYR 77 1.052 4.866 3.278 606 H SER 78 H SER 78 6.377 11.329 3.140 607 HA SER 78 HA SER 78 8.345 9.182 3.191 608 HB2 SER 78 2HB SER 78 9.614 10.605 4.551 609 HB3 SER 78 3HB SER 78 8.688 11.750 3.584 610 HG SER 78 HG SER 78 7.932 12.444 5.410 611 H PHE 79 H PHE 79 8.845 7.907 5.027 612 HA PHE 79 HA PHE 79 7.221 7.879 7.397 613 HB2 PHE 79 2HB PHE 79 5.559 6.962 5.822 614 HB3 PHE 79 3HB PHE 79 6.691 5.690 5.366 615 HD1 PHE 79 HD1 PHE 79 4.745 7.104 8.209 616 HD2 PHE 79 HD2 PHE 79 6.994 3.753 6.731 617 HE1 PHE 79 HE1 PHE 79 3.997 5.746 10.144 618 HE2 PHE 79 HE2 PHE 79 6.244 2.397 8.668 619 HZ PHE 79 HZ PHE 79 4.745 3.393 10.374 620 H GLY 80 H GLY 80 7.757 6.037 8.794 621 HA2 GLY 80 2HA GLY 80 9.747 4.110 8.242 622 HA3 GLY 80 3HA GLY 80 10.553 5.538 8.880 623 H TRP 81 H TRP 81 10.840 3.389 10.382 624 HA TRP 81 HA TRP 81 8.792 3.563 12.556 625 HB2 TRP 81 2HB TRP 81 10.768 1.367 11.865 626 HB3 TRP 81 3HB TRP 81 9.711 1.364 13.278 627 HD1 TRP 81 HD1 TRP 81 9.752 0.630 9.611 628 HE1 TRP 81 HE1 TRP 81 7.408 -0.119 8.842 629 HE3 TRP 81 HE3 TRP 81 7.044 1.805 13.776 630 HZ2 TRP 81 HZ2 TRP 81 4.738 -0.211 9.863 631 HZ3 TRP 81 HZ3 TRP 81 4.604 1.378 13.852 632 HH2 TRP 81 HH2 TRP 81 3.448 0.373 11.902 633 H ASP 82 H ASP 82 9.365 4.542 14.346 634 HA ASP 82 HA ASP 82 11.954 5.699 14.762 635 HB2 ASP 82 2HB ASP 82 9.887 6.675 15.704 636 HB3 ASP 82 3HB ASP 82 9.686 5.263 16.742 637 H GLY 83 H GLY 83 10.317 2.854 16.078 638 HA2 GLY 83 2HA GLY 83 11.945 2.028 18.121 639 HA3 GLY 83 3HA GLY 83 11.228 0.893 16.979 640 H SER 84 H SER 84 14.092 2.360 18.067 641 HA SER 84 HA SER 84 16.330 2.104 17.508 642 HB2 SER 84 2HB SER 84 15.072 -0.436 16.510 643 HB3 SER 84 3HB SER 84 16.778 -0.123 16.200 644 HG SER 84 HG SER 84 16.635 -1.167 18.149 645 H GLU 85 H GLU 85 17.800 2.489 15.861 646 HA GLU 85 HA GLU 85 18.456 3.599 13.921 647 HB2 GLU 85 2HB GLU 85 18.304 1.239 13.171 648 HB3 GLU 85 3HB GLU 85 16.627 1.520 12.688 649 HG2 GLU 85 2HG GLU 85 17.338 3.246 11.104 650 HG3 GLU 85 3HG GLU 85 19.013 3.064 11.622 651 H VAL 86 H VAL 86 17.621 5.628 14.015 652 HA VAL 86 HA VAL 86 14.827 6.204 13.483 653 HB VAL 86 HB VAL 86 17.153 8.151 13.516 654 HG11 VAL 86 1HG1 VAL 86 15.317 9.716 14.244 655 HG12 VAL 86 2HG1 VAL 86 14.159 8.427 13.921 656 HG13 VAL 86 3HG1 VAL 86 15.117 9.101 12.602 657 HG21 VAL 86 3HG2 VAL 86 15.484 6.987 15.764 658 HG22 VAL 86 1HG2 VAL 86 16.379 8.497 15.930 659 HG23 VAL 86 2HG2 VAL 86 17.242 6.992 15.615 660 H VAL 87 H VAL 87 13.907 6.722 11.602 661 HA VAL 87 HA VAL 87 15.646 6.915 9.177 662 HB VAL 87 HB VAL 87 12.788 5.961 9.312 663 HG11 VAL 87 1HG1 VAL 87 13.437 6.862 7.138 664 HG12 VAL 87 2HG1 VAL 87 13.370 5.103 7.033 665 HG13 VAL 87 3HG1 VAL 87 14.927 5.920 7.163 666 HG21 VAL 87 3HG2 VAL 87 14.335 4.438 10.528 667 HG22 VAL 87 1HG2 VAL 87 15.369 4.373 9.100 668 HG23 VAL 87 2HG2 VAL 87 13.739 3.705 9.038 669 HA PRO 88 HA PRO 88 13.420 10.935 9.567 670 HB2 PRO 88 2HB PRO 88 15.568 12.538 8.915 671 HB3 PRO 88 3HB PRO 88 15.196 12.012 10.565 672 HG2 PRO 88 2HG PRO 88 17.259 11.027 8.679 673 HG3 PRO 88 3HG PRO 88 17.284 11.094 10.448 674 HD2 PRO 88 2HD PRO 88 16.807 8.798 8.924 675 HD3 PRO 88 3HD PRO 88 16.410 8.982 10.644 676 HA PRO 89 HA PRO 89 12.402 11.649 5.328 677 HB2 PRO 89 2HB PRO 89 13.364 14.480 5.646 678 HB3 PRO 89 3HB PRO 89 11.820 13.883 5.006 679 HG2 PRO 89 2HG PRO 89 11.990 14.911 7.455 680 HG3 PRO 89 3HG PRO 89 10.937 13.525 7.108 681 HD2 PRO 89 2HD PRO 89 13.540 13.584 8.568 682 HD3 PRO 89 3HD PRO 89 12.146 12.504 8.767 683 H GLY 90 H GLY 90 13.425 11.330 3.425 684 HA2 GLY 90 2HA GLY 90 15.116 11.785 1.758 685 HA3 GLY 90 3HA GLY 90 16.208 12.311 3.038 686 H SER 91 H SER 91 15.814 10.129 4.817 687 HA SER 91 HA SER 91 17.713 8.264 3.804 688 HB2 SER 91 2HB SER 91 17.369 8.686 6.222 689 HB3 SER 91 3HB SER 91 15.775 7.940 6.121 690 HG SER 91 HG SER 91 17.375 6.235 5.015 691 H SER 92 H SER 92 14.179 8.093 4.184 692 HA SER 92 HA SER 92 14.098 5.983 2.106 693 HB2 SER 92 2HB SER 92 14.191 4.791 4.278 694 HB3 SER 92 3HB SER 92 12.764 5.677 4.814 695 HG SER 92 HG SER 92 12.824 3.452 3.452 696 H LEU 93 H LEU 93 12.256 5.986 0.917 697 HA LEU 93 HA LEU 93 10.126 7.941 1.630 698 HB2 LEU 93 2HB LEU 93 11.628 8.885 -0.114 699 HB3 LEU 93 3HB LEU 93 11.295 7.489 -1.140 700 HG LEU 93 HG LEU 93 8.875 8.075 -1.111 701 HD11 LEU 93 1HD1 LEU 93 8.453 9.243 0.864 702 HD12 LEU 93 2HD1 LEU 93 8.484 10.552 -0.299 703 HD13 LEU 93 3HD1 LEU 93 9.897 10.243 0.707 704 HD21 LEU 93 3HD2 LEU 93 10.319 8.930 -2.922 705 HD22 LEU 93 1HD2 LEU 93 10.701 10.349 -1.945 706 HD23 LEU 93 2HD2 LEU 93 9.053 10.094 -2.521 707 H VAL 94 H VAL 94 8.099 7.201 1.412 708 HA VAL 94 HA VAL 94 7.732 4.457 0.289 709 HB VAL 94 HB VAL 94 6.148 6.037 2.337 710 HG11 VAL 94 1HG1 VAL 94 5.520 3.472 0.859 711 HG12 VAL 94 2HG1 VAL 94 4.497 4.895 1.048 712 HG13 VAL 94 3HG1 VAL 94 4.804 3.841 2.428 713 HG21 VAL 94 3HG2 VAL 94 6.722 4.018 3.727 714 HG22 VAL 94 1HG2 VAL 94 8.135 4.950 3.232 715 HG23 VAL 94 2HG2 VAL 94 7.731 3.451 2.402 716 H GLU 95 H GLU 95 6.524 4.176 -1.456 717 HA GLU 95 HA GLU 95 4.622 6.295 -2.322 718 HB2 GLU 95 2HB GLU 95 6.809 5.051 -4.022 719 HB3 GLU 95 3HB GLU 95 5.457 5.979 -4.674 720 HG2 GLU 95 2HG GLU 95 6.128 7.947 -3.392 721 HG3 GLU 95 3HG GLU 95 7.419 7.034 -2.615 722 H ILE 96 H ILE 96 2.829 5.538 -3.355 723 HA ILE 96 HA ILE 96 2.610 2.602 -3.869 724 HB ILE 96 HB ILE 96 0.584 4.364 -2.448 725 HG12 ILE 96 2HG1 ILE 96 2.054 1.893 -1.477 726 HG13 ILE 96 3HG1 ILE 96 2.593 3.535 -1.132 727 HG21 ILE 96 1HG2 ILE 96 0.481 1.509 -3.454 728 HG22 ILE 96 2HG2 ILE 96 -0.631 2.825 -3.830 729 HG23 ILE 96 3HG2 ILE 96 -0.614 2.119 -2.214 730 HD11 ILE 96 3HD1 ILE 96 -0.116 2.388 -0.387 731 HD12 ILE 96 1HD1 ILE 96 0.447 4.019 -0.022 732 HD13 ILE 96 2HD1 ILE 96 1.232 2.627 0.725 733 H ASP 97 H ASP 97 1.743 2.118 -5.790 734 HA ASP 97 HA ASP 97 0.491 4.320 -7.389 735 HB2 ASP 97 2HB ASP 97 2.017 1.850 -8.271 736 HB3 ASP 97 3HB ASP 97 1.166 2.937 -9.367 737 H LEU 98 H LEU 98 -1.469 4.026 -8.271 738 HA LEU 98 HA LEU 98 -2.927 1.494 -7.636 739 HB2 LEU 98 2HB LEU 98 -4.072 4.226 -8.310 740 HB3 LEU 98 3HB LEU 98 -4.966 2.807 -7.767 741 HG LEU 98 HG LEU 98 -2.850 4.262 -6.155 742 HD11 LEU 98 1HD1 LEU 98 -4.827 5.621 -6.244 743 HD12 LEU 98 2HD1 LEU 98 -4.869 4.780 -4.694 744 HD13 LEU 98 3HD1 LEU 98 -5.876 4.221 -6.030 745 HD21 LEU 98 3HD2 LEU 98 -3.983 2.742 -4.331 746 HD22 LEU 98 1HD2 LEU 98 -2.767 2.042 -5.394 747 HD23 LEU 98 2HD2 LEU 98 -4.481 1.763 -5.709 748 H ILE 99 H ILE 99 -3.443 0.206 -9.273 749 HA ILE 99 HA ILE 99 -3.734 1.361 -12.013 750 HB ILE 99 HB ILE 99 -2.255 -1.185 -11.279 751 HG12 ILE 99 2HG1 ILE 99 -1.268 1.331 -12.661 752 HG13 ILE 99 3HG1 ILE 99 -1.066 1.030 -10.933 753 HG21 ILE 99 1HG2 ILE 99 -1.790 -1.172 -13.787 754 HG22 ILE 99 2HG2 ILE 99 -3.058 0.044 -13.931 755 HG23 ILE 99 3HG2 ILE 99 -3.447 -1.569 -13.331 756 HD11 ILE 99 3HD1 ILE 99 -0.028 -0.744 -13.166 757 HD12 ILE 99 1HD1 ILE 99 0.168 -1.047 -11.441 758 HD13 ILE 99 2HD1 ILE 99 0.947 0.348 -12.185 759 H GLU 100 H GLU 100 -5.565 0.852 -12.920 760 HA GLU 100 HA GLU 100 -7.500 -0.880 -11.660 761 HB2 GLU 100 2HB GLU 100 -7.475 0.520 -14.356 762 HB3 GLU 100 3HB GLU 100 -8.855 -0.376 -13.722 763 HG2 GLU 100 2HG GLU 100 -8.985 1.108 -11.785 764 HG3 GLU 100 3HG GLU 100 -7.544 1.972 -12.317 765 H GLN 101 H GLN 101 -8.036 -2.940 -12.144 766 HA GLN 101 HA GLN 101 -6.999 -4.232 -14.584 767 HB2 GLN 101 2HB GLN 101 -5.216 -4.498 -12.845 768 HB3 GLN 101 3HB GLN 101 -6.383 -5.350 -11.833 769 HG2 GLN 101 2HG GLN 101 -6.718 -7.020 -13.629 770 HG3 GLN 101 3HG GLN 101 -5.530 -6.179 -14.624 771 HE21 GLN 101 1HE2 GLN 101 -3.806 -7.686 -14.631 772 HE22 GLN 101 2HE2 GLN 101 -3.047 -8.257 -13.224 773 H GLY 102 H GLY 102 -8.972 -4.760 -15.322 774 HA2 GLY 102 2HA GLY 102 -10.985 -5.898 -15.530 775 HA3 GLY 102 3HA GLY 102 -10.346 -7.022 -14.332 776 H GLY 103 H GLY 103 -12.181 -7.268 -13.139 777 HA2 GLY 103 2HA GLY 103 -13.901 -5.136 -12.290 778 HA3 GLY 103 3HA GLY 103 -13.876 -6.766 -11.620 779 H GLY 104 H GLY 104 -11.220 -6.867 -10.749 780 HA2 GLY 104 2HA GLY 104 -11.426 -5.314 -8.280 781 HA3 GLY 104 3HA GLY 104 -10.210 -6.535 -8.648 782 H THR 105 H THR 105 -9.126 -4.520 -7.482 783 HA THR 105 HA THR 105 -7.938 -2.805 -9.632 784 HB THR 105 HB THR 105 -8.432 -2.080 -6.727 785 HG1 THR 105 HG1 THR 105 -10.111 -2.080 -8.600 786 HG21 THR 105 3HG2 THR 105 -7.080 -0.649 -9.025 787 HG22 THR 105 1HG2 THR 105 -6.405 -1.024 -7.439 788 HG23 THR 105 2HG2 THR 105 -7.670 0.195 -7.593 789 H LEU 106 H LEU 106 -5.840 -2.935 -9.858 790 HA LEU 106 HA LEU 106 -4.280 -4.698 -8.123 791 HB2 LEU 106 2HB LEU 106 -4.024 -4.878 -10.555 792 HB3 LEU 106 3HB LEU 106 -3.555 -3.181 -10.654 793 HG LEU 106 HG LEU 106 -1.555 -3.627 -9.306 794 HD11 LEU 106 1HD1 LEU 106 -2.845 -6.337 -9.047 795 HD12 LEU 106 2HD1 LEU 106 -2.094 -5.334 -7.802 796 HD13 LEU 106 3HD1 LEU 106 -1.089 -6.198 -8.958 797 HD21 LEU 106 3HD2 LEU 106 -1.424 -3.949 -11.750 798 HD22 LEU 106 1HD2 LEU 106 -1.898 -5.637 -11.551 799 HD23 LEU 106 2HD2 LEU 106 -0.358 -5.070 -10.903 800 H LEU 107 H LEU 107 -3.078 -3.999 -6.500 801 HA LEU 107 HA LEU 107 -2.317 -1.113 -6.381 802 HB2 LEU 107 2HB LEU 107 -3.906 -1.885 -4.621 803 HB3 LEU 107 3HB LEU 107 -2.709 -3.060 -4.082 804 HG LEU 107 HG LEU 107 -1.661 -0.276 -4.343 805 HD11 LEU 107 1HD1 LEU 107 -3.795 0.366 -3.486 806 HD12 LEU 107 2HD1 LEU 107 -2.689 0.346 -2.112 807 HD13 LEU 107 3HD1 LEU 107 -3.822 -0.985 -2.351 808 HD21 LEU 107 3HD2 LEU 107 -1.602 -2.124 -1.952 809 HD22 LEU 107 1HD2 LEU 107 -0.436 -0.882 -2.407 810 HD23 LEU 107 2HD2 LEU 107 -0.538 -2.376 -3.329 811 H ARG 108 H ARG 108 -0.244 -0.684 -6.497 812 HA ARG 108 HA ARG 108 1.745 -2.851 -5.939 813 HB2 ARG 108 2HB ARG 108 1.649 -2.107 -8.312 814 HB3 ARG 108 3HB ARG 108 2.033 -0.466 -7.792 815 HG2 ARG 108 2HG ARG 108 4.155 -1.234 -6.837 816 HG3 ARG 108 3HG ARG 108 3.763 -2.900 -7.259 817 HD2 ARG 108 2HD ARG 108 5.270 -1.983 -8.944 818 HD3 ARG 108 3HD ARG 108 3.681 -2.233 -9.665 819 HE ARG 108 HE ARG 108 3.865 0.435 -8.635 820 HH11 ARG 108 1HH2 ARG 108 5.008 -1.633 -11.182 821 HH12 ARG 108 2HH2 ARG 108 5.243 -0.330 -12.298 822 HH21 ARG 108 1HH1 ARG 108 4.177 2.119 -10.088 823 HH22 ARG 108 2HH1 ARG 108 4.777 1.790 -11.680 824 H LEU 109 H LEU 109 3.261 -2.476 -4.470 825 HA LEU 109 HA LEU 109 3.402 0.240 -3.237 826 HB2 LEU 109 2HB LEU 109 2.529 -1.608 -1.784 827 HB3 LEU 109 3HB LEU 109 4.078 -2.428 -1.958 828 HG LEU 109 HG LEU 109 4.279 0.446 -1.154 829 HD11 LEU 109 1HD1 LEU 109 2.305 -0.180 0.132 830 HD12 LEU 109 2HD1 LEU 109 3.703 -0.039 1.194 831 HD13 LEU 109 3HD1 LEU 109 3.117 -1.632 0.715 832 HD21 LEU 109 3HD2 LEU 109 5.485 -2.135 -0.103 833 HD22 LEU 109 1HD2 LEU 109 5.957 -0.512 0.392 834 HD23 LEU 109 2HD2 LEU 109 6.241 -1.045 -1.259 835 H THR 110 H THR 110 5.234 1.279 -3.441 836 HA THR 110 HA THR 110 7.736 -0.237 -4.083 837 HB THR 110 HB THR 110 6.887 2.523 -5.021 838 HG1 THR 110 HG1 THR 110 7.098 1.339 -7.078 839 HG21 THR 110 3HG2 THR 110 8.986 2.290 -6.419 840 HG22 THR 110 1HG2 THR 110 9.410 0.898 -5.420 841 HG23 THR 110 2HG2 THR 110 9.269 2.499 -4.691 842 H HIS 111 H HIS 111 9.365 0.054 -2.716 843 HA HIS 111 HA HIS 111 9.321 2.401 -0.860 844 HB2 HIS 111 2HB HIS 111 8.634 0.191 0.217 845 HB3 HIS 111 3HB HIS 111 10.279 -0.366 -0.089 846 HD1 HIS 111 HD1 HIS 111 8.296 1.468 2.346 847 HD2 HIS 111 HD2 HIS 111 12.293 1.495 1.155 848 HE1 HIS 111 HE1 HIS 111 9.588 2.629 4.191 849 H SER 112 H SER 112 11.238 3.379 -0.533 850 HA SER 112 HA SER 112 13.676 2.187 -1.780 851 HB2 SER 112 2HB SER 112 12.823 3.855 -3.331 852 HB3 SER 112 3HB SER 112 12.690 5.045 -2.037 853 HG SER 112 HG SER 112 14.885 4.184 -3.454 854 H GLY 113 H GLY 113 15.497 2.430 -0.662 855 HA2 GLY 113 2HA GLY 113 16.763 3.986 0.926 856 HA3 GLY 113 3HA GLY 113 15.352 3.837 1.971 857 H LEU 114 H LEU 114 15.198 2.136 3.299 858 HA LEU 114 HA LEU 114 16.012 0.413 4.645 859 HB2 LEU 114 2HB LEU 114 16.470 -1.094 2.085 860 HB3 LEU 114 3HB LEU 114 15.833 -1.676 3.623 861 HG LEU 114 HG LEU 114 14.416 0.224 1.725 862 HD11 LEU 114 1HD1 LEU 114 14.373 -1.997 0.819 863 HD12 LEU 114 2HD1 LEU 114 12.807 -1.735 1.586 864 HD13 LEU 114 3HD1 LEU 114 14.035 -2.703 2.399 865 HD21 LEU 114 3HD2 LEU 114 13.726 0.788 3.944 866 HD22 LEU 114 1HD2 LEU 114 13.689 -0.904 4.440 867 HD23 LEU 114 2HD2 LEU 114 12.473 -0.287 3.322 868 HA PRO 115 HA PRO 115 20.474 1.214 3.702 869 HB2 PRO 115 2HB PRO 115 21.108 2.445 6.061 870 HB3 PRO 115 3HB PRO 115 20.432 3.310 4.669 871 HG2 PRO 115 2HG PRO 115 19.106 2.453 7.183 872 HG3 PRO 115 3HG PRO 115 18.803 3.875 6.169 873 HD2 PRO 115 2HD PRO 115 17.259 1.535 6.175 874 HD3 PRO 115 3HD PRO 115 17.240 2.766 4.897 875 H SER 116 H SER 116 18.701 -0.543 5.978 876 HA SER 116 HA SER 116 21.130 -2.103 6.774 877 HB2 SER 116 2HB SER 116 18.723 -1.376 8.470 878 HB3 SER 116 3HB SER 116 19.927 -2.579 8.925 879 HG SER 116 HG SER 116 21.047 -0.955 9.628 880 H ALA 117 H ALA 117 20.855 -4.316 6.940 881 HA ALA 117 HA ALA 117 19.015 -5.511 5.096 882 HB1 ALA 117 3HB ALA 117 20.845 -6.701 7.201 883 HB2 ALA 117 1HB ALA 117 21.142 -6.576 5.466 884 HB3 ALA 117 2HB ALA 117 19.902 -7.672 6.070 885 H GLU 118 H GLU 118 19.097 -5.189 8.604 886 HA GLU 118 HA GLU 118 16.995 -6.968 9.273 887 HB2 GLU 118 2HB GLU 118 18.536 -5.924 10.928 888 HB3 GLU 118 3HB GLU 118 17.757 -4.365 10.649 889 HG2 GLU 118 2HG GLU 118 15.607 -5.276 11.410 890 HG3 GLU 118 3HG GLU 118 16.339 -6.863 11.629 891 H GLN 119 H GLN 119 16.973 -3.589 8.247 892 HA GLN 119 HA GLN 119 14.191 -3.104 8.714 893 HB2 GLN 119 2HB GLN 119 16.179 -1.799 6.831 894 HB3 GLN 119 3HB GLN 119 14.540 -1.203 7.090 895 HG2 GLN 119 2HG GLN 119 16.558 -1.610 9.312 896 HG3 GLN 119 3HG GLN 119 16.265 -0.062 8.523 897 HE21 GLN 119 1HE2 GLN 119 15.501 -1.623 11.294 898 HE22 GLN 119 2HE2 GLN 119 13.945 -1.009 11.577 899 H CYS 120 H CYS 120 15.991 -4.428 5.984 900 HA CYS 120 HA CYS 120 13.875 -4.354 4.067 901 HB2 CYS 120 2HB CYS 120 16.242 -6.243 4.328 902 HB3 CYS 120 3HB CYS 120 15.190 -6.151 2.916 903 HG CYS 120 HG CYS 120 16.378 -3.436 3.665 904 H ALA 121 H ALA 121 14.924 -6.843 6.375 905 HA ALA 121 HA ALA 121 12.997 -8.816 5.633 906 HB1 ALA 121 3HB ALA 121 14.990 -9.371 6.956 907 HB2 ALA 121 1HB ALA 121 13.532 -9.826 7.837 908 HB3 ALA 121 2HB ALA 121 14.411 -8.362 8.284 909 H GLY 122 H GLY 122 12.991 -6.222 8.040 910 HA2 GLY 122 2HA GLY 122 10.484 -6.880 9.256 911 HA3 GLY 122 3HA GLY 122 11.286 -5.313 9.339 912 H HIS 123 H HIS 123 11.385 -4.583 6.693 913 HA HIS 123 HA HIS 123 8.717 -3.605 6.251 914 HB2 HIS 123 2HB HIS 123 11.351 -3.461 4.801 915 HB3 HIS 123 3HB HIS 123 9.895 -3.026 3.908 916 HD1 HIS 123 HD1 HIS 123 8.282 -1.237 5.268 917 HD2 HIS 123 HD2 HIS 123 12.314 -1.358 6.320 918 HE1 HIS 123 HE1 HIS 123 8.773 0.934 6.477 919 H GLU 124 H GLU 124 10.715 -6.057 4.628 920 HA GLU 124 HA GLU 124 9.062 -6.751 2.498 921 HB2 GLU 124 2HB GLU 124 11.327 -7.711 2.930 922 HB3 GLU 124 3HB GLU 124 10.640 -8.685 4.231 923 HG2 GLU 124 2HG GLU 124 9.109 -9.765 2.622 924 HG3 GLU 124 3HG GLU 124 9.779 -8.784 1.322 925 H GLU 125 H GLU 125 9.114 -8.437 5.641 926 HA GLU 125 HA GLU 125 6.639 -9.825 5.156 927 HB2 GLU 125 2HB GLU 125 8.345 -9.366 7.618 928 HB3 GLU 125 3HB GLU 125 6.825 -10.260 7.694 929 HG2 GLU 125 2HG GLU 125 8.551 -11.891 7.374 930 HG3 GLU 125 3HG GLU 125 7.721 -11.737 5.830 931 H GLY 126 H GLY 126 7.510 -6.819 6.746 932 HA2 GLY 126 2HA GLY 126 5.123 -6.308 8.171 933 HA3 GLY 126 3HA GLY 126 6.213 -5.069 7.553 934 H TRP 127 H TRP 127 6.066 -5.148 4.929 935 HA TRP 127 HA TRP 127 3.557 -3.960 4.313 936 HB2 TRP 127 2HB TRP 127 5.820 -4.969 2.570 937 HB3 TRP 127 3HB TRP 127 4.394 -4.166 1.909 938 HD1 TRP 127 HD1 TRP 127 7.740 -3.378 3.053 939 HE1 TRP 127 HE1 TRP 127 7.978 -0.886 3.658 940 HE3 TRP 127 HE3 TRP 127 2.815 -2.046 3.249 941 HZ2 TRP 127 HZ2 TRP 127 6.300 1.376 4.157 942 HZ3 TRP 127 HZ3 TRP 127 2.164 0.276 3.792 943 HH2 TRP 127 HH2 TRP 127 3.896 1.991 4.244 944 H ALA 128 H ALA 128 4.833 -7.208 3.823 945 HA ALA 128 HA ALA 128 2.851 -8.233 2.093 946 HB1 ALA 128 3HB ALA 128 4.845 -9.525 2.574 947 HB2 ALA 128 1HB ALA 128 3.453 -10.461 3.108 948 HB3 ALA 128 2HB ALA 128 4.441 -9.603 4.290 949 H HIS 129 H HIS 129 2.905 -7.952 5.627 950 HA HIS 129 HA HIS 129 0.449 -9.351 6.105 951 HB2 HIS 129 2HB HIS 129 1.899 -7.241 7.739 952 HB3 HIS 129 3HB HIS 129 0.521 -8.175 8.319 953 HD1 HIS 129 HD1 HIS 129 2.919 -8.668 9.942 954 HD2 HIS 129 HD2 HIS 129 2.307 -10.747 6.381 955 HE1 HIS 129 HE1 HIS 129 4.319 -10.773 10.090 956 H TYR 130 H TYR 130 1.219 -5.892 5.761 957 HA TYR 130 HA TYR 130 -1.435 -4.920 6.166 958 HB2 TYR 130 2HB TYR 130 0.972 -3.781 4.715 959 HB3 TYR 130 3HB TYR 130 -0.544 -2.894 4.870 960 HD1 TYR 130 HD1 TYR 130 -1.560 -2.919 7.361 961 HD2 TYR 130 HD2 TYR 130 2.592 -3.407 6.368 962 HE1 TYR 130 HE1 TYR 130 -0.925 -2.203 9.647 963 HE2 TYR 130 HE2 TYR 130 3.223 -2.692 8.653 964 HH TYR 130 HH TYR 130 2.456 -1.709 10.547 965 H LEU 131 H LEU 131 0.378 -5.766 3.239 966 HA LEU 131 HA LEU 131 -1.607 -5.032 1.342 967 HB2 LEU 131 2HB LEU 131 0.627 -7.083 1.251 968 HB3 LEU 131 3HB LEU 131 -0.370 -6.690 -0.143 969 HG LEU 131 HG LEU 131 1.136 -4.584 1.435 970 HD11 LEU 131 1HD1 LEU 131 2.012 -5.969 -1.119 971 HD12 LEU 131 2HD1 LEU 131 2.707 -6.270 0.473 972 HD13 LEU 131 3HD1 LEU 131 2.876 -4.683 -0.275 973 HD21 LEU 131 3HD2 LEU 131 -0.469 -3.477 0.136 974 HD22 LEU 131 1HD2 LEU 131 -0.407 -4.667 -1.161 975 HD23 LEU 131 2HD2 LEU 131 0.896 -3.505 -0.965 976 H GLY 132 H GLY 132 -0.949 -8.106 2.978 977 HA2 GLY 132 2HA GLY 132 -3.052 -9.572 1.659 978 HA3 GLY 132 3HA GLY 132 -2.192 -10.076 3.114 979 H ARG 133 H ARG 133 -2.780 -7.881 4.765 980 HA ARG 133 HA ARG 133 -5.365 -8.636 5.743 981 HB2 ARG 133 2HB ARG 133 -3.382 -7.707 7.089 982 HB3 ARG 133 3HB ARG 133 -3.862 -6.116 6.498 983 HG2 ARG 133 2HG ARG 133 -5.107 -6.194 8.464 984 HG3 ARG 133 3HG ARG 133 -6.273 -6.898 7.346 985 HD2 ARG 133 2HD ARG 133 -5.451 -9.176 7.971 986 HD3 ARG 133 3HD ARG 133 -4.363 -8.436 9.139 987 HE ARG 133 HE ARG 133 -6.996 -7.504 9.665 988 HH11 ARG 133 1HH2 ARG 133 -5.094 -10.413 9.749 989 HH12 ARG 133 2HH2 ARG 133 -6.022 -11.122 11.028 990 HH21 ARG 133 1HH1 ARG 133 -8.185 -8.435 11.329 991 HH22 ARG 133 2HH1 ARG 133 -7.762 -10.007 11.922 992 H LEU 134 H LEU 134 -4.155 -5.803 3.997 993 HA LEU 134 HA LEU 134 -6.571 -4.308 4.038 994 HB2 LEU 134 2HB LEU 134 -4.389 -3.312 3.442 995 HB3 LEU 134 3HB LEU 134 -4.328 -4.299 1.981 996 HG LEU 134 HG LEU 134 -6.396 -3.209 1.163 997 HD11 LEU 134 1HD1 LEU 134 -7.642 -2.558 3.024 998 HD12 LEU 134 2HD1 LEU 134 -6.956 -1.014 2.533 999 HD13 LEU 134 3HD1 LEU 134 -6.236 -1.908 3.872 1000 HD21 LEU 134 3HD2 LEU 134 -5.418 -0.871 0.927 1001 HD22 LEU 134 1HD2 LEU 134 -4.359 -2.190 0.426 1002 HD23 LEU 134 2HD2 LEU 134 -4.111 -1.403 1.985 1003 H THR 135 H THR 135 -5.283 -6.721 1.816 1004 HA THR 135 HA THR 135 -7.163 -6.503 -0.278 1005 HB THR 135 HB THR 135 -5.698 -8.952 0.761 1006 HG1 THR 135 HG1 THR 135 -4.953 -6.744 -0.580 1007 HG21 THR 135 3HG2 THR 135 -6.032 -9.638 -1.713 1008 HG22 THR 135 1HG2 THR 135 -7.319 -8.432 -1.728 1009 HG23 THR 135 2HG2 THR 135 -7.406 -9.804 -0.621 1010 H GLU 136 H GLU 136 -7.245 -8.485 2.672 1011 HA GLU 136 HA GLU 136 -9.709 -9.816 2.098 1012 HB2 GLU 136 2HB GLU 136 -8.302 -9.238 4.725 1013 HB3 GLU 136 3HB GLU 136 -9.729 -10.262 4.581 1014 HG2 GLU 136 2HG GLU 136 -8.543 -11.753 3.036 1015 HG3 GLU 136 3HG GLU 136 -7.119 -10.717 3.107 1016 H VAL 137 H VAL 137 -8.974 -6.845 3.916 1017 HA VAL 137 HA VAL 137 -11.666 -6.367 4.783 1018 HB VAL 137 HB VAL 137 -9.324 -4.468 4.403 1019 HG11 VAL 137 1HG1 VAL 137 -11.259 -3.086 4.346 1020 HG12 VAL 137 2HG1 VAL 137 -10.747 -3.056 6.032 1021 HG13 VAL 137 3HG1 VAL 137 -12.099 -4.076 5.540 1022 HG21 VAL 137 3HG2 VAL 137 -10.499 -5.970 6.761 1023 HG22 VAL 137 1HG2 VAL 137 -9.384 -4.620 6.952 1024 HG23 VAL 137 2HG2 VAL 137 -8.859 -6.082 6.124 1025 H ALA 138 H ALA 138 -9.799 -5.268 1.966 1026 HA ALA 138 HA ALA 138 -11.662 -3.471 0.852 1027 HB1 ALA 138 3HB ALA 138 -10.594 -4.146 -1.363 1028 HB2 ALA 138 1HB ALA 138 -9.648 -5.323 -0.449 1029 HB3 ALA 138 2HB ALA 138 -9.476 -3.598 -0.116 1030 H ALA 139 H ALA 139 -11.680 -6.941 1.015 1031 HA ALA 139 HA ALA 139 -13.751 -7.263 -1.039 1032 HB1 ALA 139 3HB ALA 139 -12.179 -9.066 -0.833 1033 HB2 ALA 139 1HB ALA 139 -13.715 -9.661 -0.207 1034 HB3 ALA 139 2HB ALA 139 -12.437 -9.181 0.910 1035 H GLY 140 H GLY 140 -13.732 -6.184 2.092 1036 HA2 GLY 140 2HA GLY 140 -15.354 -5.919 3.741 1037 HA3 GLY 140 3HA GLY 140 -16.502 -5.977 2.406 1038 H ARG 141 H ARG 141 -15.379 -7.540 5.182 1039 HA ARG 141 HA ARG 141 -17.339 -9.681 4.877 1040 HB2 ARG 141 2HB ARG 141 -15.477 -11.422 5.452 1041 HB3 ARG 141 3HB ARG 141 -15.648 -10.894 3.788 1042 HG2 ARG 141 2HG ARG 141 -13.831 -9.287 4.052 1043 HG3 ARG 141 3HG ARG 141 -13.704 -9.663 5.765 1044 HD2 ARG 141 2HD ARG 141 -11.967 -10.875 4.562 1045 HD3 ARG 141 3HD ARG 141 -13.148 -12.028 5.170 1046 HE ARG 141 HE ARG 141 -13.844 -11.213 2.503 1047 HH11 ARG 141 1HH2 ARG 141 -11.597 -13.143 4.326 1048 HH12 ARG 141 2HH2 ARG 141 -11.308 -14.249 3.024 1049 HH21 ARG 141 1HH1 ARG 141 -13.456 -12.663 0.821 1050 HH22 ARG 141 2HH1 ARG 141 -12.356 -13.981 1.052 1051 H ASP 142 H ASP 142 -14.783 -10.596 6.866 1052 HA ASP 142 HA ASP 142 -15.727 -9.146 9.249 1053 HB2 ASP 142 2HB ASP 142 -16.027 -11.247 10.507 1054 HB3 ASP 142 3HB ASP 142 -17.190 -11.075 9.196 1055 HA PRO 143 HA PRO 143 -11.144 -9.926 9.048 1056 HB2 PRO 143 2HB PRO 143 -10.406 -7.379 9.776 1057 HB3 PRO 143 3HB PRO 143 -10.720 -7.868 8.101 1058 HG2 PRO 143 2HG PRO 143 -12.486 -6.405 10.006 1059 HG3 PRO 143 3HG PRO 143 -12.255 -6.157 8.268 1060 HD2 PRO 143 2HD PRO 143 -14.403 -7.465 9.303 1061 HD3 PRO 143 3HD PRO 143 -13.758 -7.820 7.687 1062 H GLY 144 H GLY 144 -9.766 -10.308 10.748 1063 HA2 GLY 144 2HA GLY 144 -10.959 -10.283 13.437 1064 HA3 GLY 144 3HA GLY 144 -9.481 -11.099 12.943 1065 HA PRO 145 HA PRO 145 -8.214 -7.260 15.189 1066 HB2 PRO 145 2HB PRO 145 -6.613 -8.436 17.046 1067 HB3 PRO 145 3HB PRO 145 -8.377 -8.342 17.231 1068 HG2 PRO 145 2HG PRO 145 -6.683 -10.646 16.402 1069 HG3 PRO 145 3HG PRO 145 -8.152 -10.622 17.394 1070 HD2 PRO 145 2HD PRO 145 -8.065 -11.302 14.689 1071 HD3 PRO 145 3HD PRO 145 -9.532 -10.795 15.556 1072 H ASP 146 H ASP 146 -5.697 -6.917 16.049 1073 HA ASP 146 HA ASP 146 -3.953 -7.639 13.722 1074 HB2 ASP 146 2HB ASP 146 -2.828 -5.423 14.163 1075 HB3 ASP 146 3HB ASP 146 -4.457 -5.327 13.503 1076 HA PRO 147 HA PRO 147 -1.993 -9.425 17.537 1077 HB2 PRO 147 2HB PRO 147 -0.813 -11.083 15.338 1078 HB3 PRO 147 3HB PRO 147 -1.489 -11.598 16.895 1079 HG2 PRO 147 2HG PRO 147 -2.839 -11.970 14.650 1080 HG3 PRO 147 3HG PRO 147 -3.680 -11.443 16.126 1081 HD2 PRO 147 2HD PRO 147 -2.879 -9.810 13.735 1082 HD3 PRO 147 3HD PRO 147 -4.374 -9.748 14.694 1083 H PHE 148 H PHE 148 0.130 -9.189 18.261 1084 HA PHE 148 HA PHE 148 1.705 -7.106 17.316 1085 HB2 PHE 148 2HB PHE 148 2.644 -9.572 18.819 1086 HB3 PHE 148 3HB PHE 148 3.537 -8.058 18.679 1087 HD1 PHE 148 HD1 PHE 148 2.614 -5.958 19.685 1088 HD2 PHE 148 HD2 PHE 148 0.802 -9.797 20.356 1089 HE1 PHE 148 HE1 PHE 148 1.361 -5.032 21.615 1090 HE2 PHE 148 HE2 PHE 148 -0.449 -8.868 22.286 1091 HZ PHE 148 HZ PHE 148 -0.170 -6.485 22.914 1092 H TYR 149 H TYR 149 3.567 -6.973 16.085 1093 HA TYR 149 HA TYR 149 3.659 -8.491 13.692 1094 HB2 TYR 149 2HB TYR 149 5.863 -6.814 14.948 1095 HB3 TYR 149 3HB TYR 149 5.786 -7.323 13.262 1096 HD1 TYR 149 HD1 TYR 149 3.923 -6.505 11.790 1097 HD2 TYR 149 HD2 TYR 149 4.576 -4.955 15.743 1098 HE1 TYR 149 HE1 TYR 149 2.522 -4.533 11.248 1099 HE2 TYR 149 HE2 TYR 149 3.174 -2.983 15.201 1100 HH TYR 149 HH TYR 149 2.327 -1.778 13.368 1101 H GLY 150 H GLY 150 5.631 -8.681 16.642 1102 HA2 GLY 150 2HA GLY 150 7.180 -10.948 15.605 1103 HA3 GLY 150 3HA GLY 150 7.363 -10.197 17.187 1104 H ARG 151 H ARG 151 5.985 -12.766 15.433 1105 HA ARG 151 HA ARG 151 4.154 -13.573 17.619 1106 HB2 ARG 151 2HB ARG 151 4.717 -14.899 14.941 1107 HB3 ARG 151 3HB ARG 151 3.432 -15.325 16.066 1108 HG2 ARG 151 2HG ARG 151 3.665 -12.522 14.967 1109 HG3 ARG 151 3HG ARG 151 2.821 -13.780 14.069 1110 HD2 ARG 151 2HD ARG 151 2.169 -12.826 16.874 1111 HD3 ARG 151 3HD ARG 151 1.215 -12.543 15.431 1112 HE ARG 151 HE ARG 151 1.356 -15.047 16.951 1113 HH11 ARG 151 1HH2 ARG 151 0.556 -13.467 13.965 1114 HH12 ARG 151 2HH2 ARG 151 -0.543 -14.710 13.467 1115 HH21 ARG 151 1HH1 ARG 151 -0.072 -16.654 16.292 1116 HH22 ARG 151 2HH1 ARG 151 -0.900 -16.502 14.778 1117 H ARG 152 H ARG 152 7.364 -13.983 16.701 1118 HA ARG 152 HA ARG 152 7.790 -16.725 17.423 1119 HB2 ARG 152 2HB ARG 152 9.645 -14.332 17.307 1120 HB3 ARG 152 3HB ARG 152 10.198 -15.960 17.695 1121 HG2 ARG 152 2HG ARG 152 9.299 -16.787 15.549 1122 HG3 ARG 152 3HG ARG 152 8.755 -15.155 15.151 1123 HD2 ARG 152 2HD ARG 152 11.082 -14.346 15.255 1124 HD3 ARG 152 3HD ARG 152 11.637 -15.968 15.662 1125 HE ARG 152 HE ARG 152 10.750 -15.043 13.012 1126 HH11 ARG 152 1HH2 ARG 152 11.484 -17.691 15.133 1127 HH12 ARG 152 2HH2 ARG 152 11.748 -18.811 13.838 1128 HH21 ARG 152 1HH1 ARG 152 11.094 -16.508 11.336 1129 HH22 ARG 152 2HH1 ARG 152 11.531 -18.145 11.698 1130 H LEU 153 H LEU 153 7.881 -13.689 19.227 1131 HA LEU 153 HA LEU 153 8.052 -13.234 21.505 1132 HB2 LEU 153 2HB LEU 153 6.428 -15.750 21.305 1133 HB3 LEU 153 3HB LEU 153 6.912 -15.188 22.907 1134 HG LEU 153 HG LEU 153 5.915 -12.976 22.432 1135 HD11 LEU 153 1HD1 LEU 153 4.461 -12.758 20.410 1136 HD12 LEU 153 2HD1 LEU 153 5.077 -14.308 19.842 1137 HD13 LEU 153 3HD1 LEU 153 6.167 -12.932 20.006 1138 HD21 LEU 153 3HD2 LEU 153 3.610 -13.667 22.634 1139 HD22 LEU 153 1HD2 LEU 153 4.597 -14.873 23.459 1140 HD23 LEU 153 2HD2 LEU 153 3.951 -15.210 21.853 1141 H GLU 154 H GLU 154 9.973 -15.302 20.046 1142 HA GLU 154 HA GLU 154 11.664 -15.667 22.422 1143 HB2 GLU 154 2HB GLU 154 10.214 -17.710 22.335 1144 HB3 GLU 154 3HB GLU 154 10.861 -18.056 20.732 1145 HG2 GLU 154 2HG GLU 154 12.157 -19.335 22.307 1146 HG3 GLU 154 3HG GLU 154 13.179 -18.009 21.764 1147 H HIS 155 H HIS 155 13.015 -14.216 21.331 1148 HA HIS 155 HA HIS 155 14.051 -14.861 18.667 1149 HB2 HIS 155 2HB HIS 155 15.315 -12.801 18.882 1150 HB3 HIS 155 3HB HIS 155 13.655 -12.509 19.396 1151 HD1 HIS 155 HD1 HIS 155 17.103 -13.157 20.852 1152 HD2 HIS 155 HD2 HIS 155 13.401 -11.653 22.037 1153 HE1 HIS 155 HE1 HIS 155 17.426 -12.211 23.180 1154 H HIS 156 H HIS 156 16.250 -15.217 18.221 1155 HA HIS 156 HA HIS 156 17.545 -17.099 19.957 1156 HB2 HIS 156 2HB HIS 156 18.477 -15.673 17.444 1157 HB3 HIS 156 3HB HIS 156 19.416 -16.920 18.263 1158 HD1 HIS 156 HD1 HIS 156 16.371 -16.430 16.132 1159 HD2 HIS 156 HD2 HIS 156 18.308 -19.558 18.095 1160 HE1 HIS 156 HE1 HIS 156 15.347 -18.573 15.252 1161 H HIS 157 H HIS 157 18.056 -16.170 21.912 1162 HA HIS 157 HA HIS 157 19.322 -13.623 22.258 1163 HB2 HIS 157 2HB HIS 157 18.110 -14.850 24.070 1164 HB3 HIS 157 3HB HIS 157 19.419 -16.032 24.109 1165 HD1 HIS 157 HD1 HIS 157 18.973 -12.256 24.447 1166 HD2 HIS 157 HD2 HIS 157 21.482 -15.295 25.807 1167 HE1 HIS 157 HE1 HIS 157 20.574 -11.183 26.089 1168 H HIS 158 H HIS 158 20.577 -16.946 22.096 1169 HA HIS 158 HA HIS 158 23.123 -15.982 21.061 1170 HB2 HIS 158 2HB HIS 158 24.506 -16.911 22.861 1171 HB3 HIS 158 3HB HIS 158 23.446 -15.654 23.489 1172 HD1 HIS 158 HD1 HIS 158 21.104 -16.632 24.569 1173 HD2 HIS 158 HD2 HIS 158 24.288 -19.304 24.242 1174 HE1 HIS 158 HE1 HIS 158 20.589 -18.556 26.133 1175 H HIS 159 H HIS 159 22.044 -17.377 19.422 1176 HA HIS 159 HA HIS 159 21.712 -20.195 19.797 1177 HB2 HIS 159 2HB HIS 159 20.657 -18.942 17.934 1178 HB3 HIS 159 3HB HIS 159 22.249 -18.661 17.224 1179 HD1 HIS 159 HD1 HIS 159 23.450 -20.693 16.137 1180 HD2 HIS 159 HD2 HIS 159 19.698 -21.619 17.699 1181 HE1 HIS 159 HE1 HIS 159 22.872 -23.009 15.291 1182 H HIS 160 H HIS 160 24.402 -18.226 18.560 1183 HA HIS 160 HA HIS 160 26.090 -20.511 17.988 1184 HB2 HIS 160 2HB HIS 160 27.847 -18.841 17.608 1185 HB3 HIS 160 3HB HIS 160 26.356 -18.347 16.812 1186 HD1 HIS 160 HD1 HIS 160 24.877 -16.534 18.209 1187 HD2 HIS 160 HD2 HIS 160 28.845 -16.980 19.406 1188 HE1 HIS 160 HE1 HIS 160 25.430 -14.510 19.628 Start of MODEL 16 1 H1 MET 1 1H MET 1 16.168 0.082 -20.821 2 H2 MET 1 2H MET 1 17.119 -0.050 -22.222 3 H3 MET 1 3H MET 1 15.472 0.349 -22.343 4 HA MET 1 HA MET 1 17.619 2.022 -21.164 5 HB2 MET 1 2HB MET 1 16.642 3.584 -23.031 6 HB3 MET 1 3HB MET 1 17.751 2.295 -23.495 7 HG2 MET 1 2HG MET 1 15.878 0.846 -24.097 8 HG3 MET 1 3HG MET 1 14.728 2.065 -23.546 9 HE1 MET 1 3HE MET 1 14.081 2.282 -27.266 10 HE2 MET 1 1HE MET 1 13.591 1.692 -25.671 11 HE3 MET 1 2HE MET 1 14.752 0.780 -26.633 12 H GLU 2 H GLU 2 14.737 0.882 -20.417 13 HA GLU 2 HA GLU 2 13.903 3.370 -19.060 14 HB2 GLU 2 2HB GLU 2 12.666 3.371 -21.231 15 HB3 GLU 2 3HB GLU 2 12.007 1.785 -20.825 16 HG2 GLU 2 2HG GLU 2 10.927 2.705 -18.835 17 HG3 GLU 2 3HG GLU 2 11.642 4.286 -19.149 18 H LYS 3 H LYS 3 13.944 -0.052 -19.449 19 HA LYS 3 HA LYS 3 12.120 -0.657 -17.262 20 HB2 LYS 3 2HB LYS 3 14.144 -2.340 -18.760 21 HB3 LYS 3 3HB LYS 3 13.054 -2.978 -17.530 22 HG2 LYS 3 2HG LYS 3 11.110 -2.294 -18.835 23 HG3 LYS 3 3HG LYS 3 12.147 -1.509 -20.022 24 HD2 LYS 3 2HD LYS 3 11.629 -3.602 -21.006 25 HD3 LYS 3 3HD LYS 3 13.244 -3.823 -20.337 26 HE2 LYS 3 2HE LYS 3 12.389 -5.015 -18.437 27 HE3 LYS 3 3HE LYS 3 10.727 -4.572 -18.823 28 HZ1 LYS 3 3HZ LYS 3 10.559 -6.288 -20.188 29 HZ2 LYS 3 1HZ LYS 3 12.066 -6.832 -19.632 30 HZ3 LYS 3 2HZ LYS 3 11.974 -5.857 -21.022 31 H ALA 4 H ALA 4 12.650 -1.270 -15.174 32 HA ALA 4 HA ALA 4 13.849 -1.174 -13.172 33 HB1 ALA 4 3HB ALA 4 16.154 -2.040 -14.938 34 HB2 ALA 4 1HB ALA 4 14.943 -3.132 -14.264 35 HB3 ALA 4 2HB ALA 4 16.030 -2.248 -13.191 36 H MET 5 H MET 5 15.894 -0.220 -12.137 37 HA MET 5 HA MET 5 17.484 1.741 -13.324 38 HB2 MET 5 2HB MET 5 14.757 2.647 -13.074 39 HB3 MET 5 3HB MET 5 15.726 3.566 -11.931 40 HG2 MET 5 2HG MET 5 17.285 4.184 -13.727 41 HG3 MET 5 3HG MET 5 16.354 3.229 -14.879 42 HE1 MET 5 3HE MET 5 13.823 3.460 -15.094 43 HE2 MET 5 1HE MET 5 14.655 4.315 -16.400 44 HE3 MET 5 2HE MET 5 13.245 5.037 -15.628 45 HA PRO 6 HA PRO 6 17.217 2.363 -8.486 46 HB2 PRO 6 2HB PRO 6 15.825 -0.167 -7.740 47 HB3 PRO 6 3HB PRO 6 15.614 1.468 -7.086 48 HG2 PRO 6 2HG PRO 6 13.791 0.334 -8.696 49 HG3 PRO 6 3HG PRO 6 14.123 2.077 -8.729 50 HD2 PRO 6 2HD PRO 6 14.987 -0.040 -10.667 51 HD3 PRO 6 3HD PRO 6 14.530 1.647 -10.975 52 H GLU 7 H GLU 7 18.951 1.607 -7.258 53 HA GLU 7 HA GLU 7 20.143 -1.039 -8.031 54 HB2 GLU 7 2HB GLU 7 22.372 0.032 -7.666 55 HB3 GLU 7 3HB GLU 7 21.486 0.750 -9.012 56 HG2 GLU 7 2HG GLU 7 20.718 2.576 -7.530 57 HG3 GLU 7 3HG GLU 7 21.624 1.864 -6.193 58 H SER 8 H SER 8 19.422 1.313 -5.545 59 HA SER 8 HA SER 8 20.850 -0.121 -3.453 60 HB2 SER 8 2HB SER 8 19.567 1.450 -1.935 61 HB3 SER 8 3HB SER 8 20.586 2.231 -3.138 62 HG SER 8 HG SER 8 18.595 2.241 -4.463 63 H PHE 9 H PHE 9 19.631 -0.858 -1.469 64 HA PHE 9 HA PHE 9 17.928 -3.024 -2.119 65 HB2 PHE 9 2HB PHE 9 18.379 -1.578 0.501 66 HB3 PHE 9 3HB PHE 9 17.482 -3.093 0.358 67 HD1 PHE 9 HD1 PHE 9 18.615 -5.162 -0.392 68 HD2 PHE 9 HD2 PHE 9 20.785 -1.508 0.240 69 HE1 PHE 9 HE1 PHE 9 20.748 -6.427 -0.408 70 HE2 PHE 9 HE2 PHE 9 22.919 -2.774 0.226 71 HZ PHE 9 HZ PHE 9 22.900 -5.233 -0.098 72 H VAL 10 H VAL 10 16.023 -2.704 -3.095 73 HA VAL 10 HA VAL 10 14.052 -0.851 -1.809 74 HB VAL 10 HB VAL 10 14.591 -1.333 -4.751 75 HG11 VAL 10 1HG1 VAL 10 12.599 0.275 -5.018 76 HG12 VAL 10 2HG1 VAL 10 12.195 -0.132 -3.350 77 HG13 VAL 10 3HG1 VAL 10 12.216 -1.392 -4.584 78 HG21 VAL 10 3HG2 VAL 10 14.632 1.087 -2.928 79 HG22 VAL 10 1HG2 VAL 10 14.652 1.215 -4.683 80 HG23 VAL 10 2HG2 VAL 10 15.974 0.406 -3.844 81 H VAL 11 H VAL 11 12.102 -1.745 -1.404 82 HA VAL 11 HA VAL 11 11.685 -4.587 -2.256 83 HB VAL 11 HB VAL 11 10.697 -3.024 0.142 84 HG11 VAL 11 1HG1 VAL 11 9.714 -5.316 0.764 85 HG12 VAL 11 2HG1 VAL 11 9.916 -5.739 -0.937 86 HG13 VAL 11 3HG1 VAL 11 8.858 -4.404 -0.480 87 HG21 VAL 11 3HG2 VAL 11 11.935 -4.838 1.349 88 HG22 VAL 11 1HG2 VAL 11 12.984 -3.844 0.337 89 HG23 VAL 11 2HG2 VAL 11 12.490 -5.446 -0.211 90 H ARG 12 H ARG 12 9.980 -5.032 -3.512 91 HA ARG 12 HA ARG 12 7.864 -2.938 -3.893 92 HB2 ARG 12 2HB ARG 12 9.105 -4.812 -5.925 93 HB3 ARG 12 3HB ARG 12 7.685 -3.812 -6.234 94 HG2 ARG 12 2HG ARG 12 9.000 -1.786 -5.714 95 HG3 ARG 12 3HG ARG 12 10.421 -2.789 -5.419 96 HD2 ARG 12 2HD ARG 12 8.917 -2.754 -8.049 97 HD3 ARG 12 3HD ARG 12 10.343 -1.766 -7.726 98 HE ARG 12 HE ARG 12 10.991 -4.459 -7.103 99 HH11 ARG 12 1HH2 ARG 12 10.173 -2.445 -9.792 100 HH12 ARG 12 2HH2 ARG 12 11.061 -3.398 -10.934 101 HH21 ARG 12 1HH1 ARG 12 12.144 -5.698 -8.583 102 HH22 ARG 12 2HH1 ARG 12 12.173 -5.235 -10.252 103 H ARG 13 H ARG 13 5.794 -3.647 -3.741 104 HA ARG 13 HA ARG 13 5.285 -6.590 -3.625 105 HB2 ARG 13 2HB ARG 13 4.458 -4.483 -1.627 106 HB3 ARG 13 3HB ARG 13 3.652 -6.045 -1.738 107 HG2 ARG 13 2HG ARG 13 6.645 -6.109 -1.588 108 HG3 ARG 13 3HG ARG 13 5.799 -5.613 -0.124 109 HD2 ARG 13 2HD ARG 13 6.138 -8.045 -0.125 110 HD3 ARG 13 3HD ARG 13 4.420 -7.669 -0.232 111 HE ARG 13 HE ARG 13 5.770 -8.080 -2.812 112 HH11 ARG 13 1HH2 ARG 13 3.938 -9.392 -0.199 113 HH12 ARG 13 2HH2 ARG 13 3.345 -10.732 -1.121 114 HH21 ARG 13 1HH1 ARG 13 5.001 -9.816 -4.022 115 HH22 ARG 13 2HH1 ARG 13 3.945 -10.973 -3.282 116 H GLU 14 H GLU 14 3.082 -7.167 -4.037 117 HA GLU 14 HA GLU 14 1.420 -5.050 -5.333 118 HB2 GLU 14 2HB GLU 14 2.157 -7.751 -6.500 119 HB3 GLU 14 3HB GLU 14 0.905 -6.696 -7.152 120 HG2 GLU 14 2HG GLU 14 2.770 -6.110 -8.448 121 HG3 GLU 14 3HG GLU 14 2.793 -4.879 -7.190 122 H ALA 15 H ALA 15 -0.802 -5.477 -5.296 123 HA ALA 15 HA ALA 15 -1.787 -7.947 -4.035 124 HB1 ALA 15 3HB ALA 15 -2.109 -5.221 -2.745 125 HB2 ALA 15 1HB ALA 15 -1.293 -6.624 -2.058 126 HB3 ALA 15 2HB ALA 15 -3.042 -6.647 -2.289 127 H HIS 16 H HIS 16 -3.648 -8.467 -5.027 128 HA HIS 16 HA HIS 16 -4.961 -6.459 -6.766 129 HB2 HIS 16 2HB HIS 16 -4.497 -8.610 -7.779 130 HB3 HIS 16 3HB HIS 16 -5.306 -9.454 -6.461 131 HD1 HIS 16 HD1 HIS 16 -6.029 -7.202 -9.409 132 HD2 HIS 16 HD2 HIS 16 -8.113 -9.567 -6.681 133 HE1 HIS 16 HE1 HIS 16 -8.419 -7.312 -10.237 134 H LEU 17 H LEU 17 -6.819 -5.486 -6.195 135 HA LEU 17 HA LEU 17 -8.357 -6.570 -3.860 136 HB2 LEU 17 2HB LEU 17 -8.071 -3.698 -4.791 137 HB3 LEU 17 3HB LEU 17 -9.035 -4.248 -3.422 138 HG LEU 17 HG LEU 17 -6.656 -5.380 -2.741 139 HD11 LEU 17 1HD1 LEU 17 -5.476 -4.486 -4.712 140 HD12 LEU 17 2HD1 LEU 17 -4.833 -3.783 -3.230 141 HD13 LEU 17 3HD1 LEU 17 -5.928 -2.847 -4.248 142 HD21 LEU 17 3HD2 LEU 17 -6.232 -3.224 -1.413 143 HD22 LEU 17 1HD2 LEU 17 -7.805 -3.991 -1.191 144 HD23 LEU 17 2HD2 LEU 17 -7.653 -2.573 -2.228 145 H ALA 18 H ALA 18 -10.530 -6.793 -4.087 146 HA ALA 18 HA ALA 18 -11.614 -6.712 -6.815 147 HB1 ALA 18 3HB ALA 18 -12.026 -8.542 -5.034 148 HB2 ALA 18 1HB ALA 18 -13.432 -7.965 -5.926 149 HB3 ALA 18 2HB ALA 18 -13.129 -7.389 -4.285 150 H ALA 19 H ALA 19 -11.133 -4.423 -4.542 151 HA ALA 19 HA ALA 19 -13.770 -3.094 -4.864 152 HB1 ALA 19 3HB ALA 19 -11.487 -1.952 -3.268 153 HB2 ALA 19 1HB ALA 19 -12.415 -3.309 -2.629 154 HB3 ALA 19 2HB ALA 19 -13.222 -1.788 -3.002 155 HA PRO 20 HA PRO 20 -12.159 -0.480 -8.043 156 HB2 PRO 20 2HB PRO 20 -13.695 1.795 -7.669 157 HB3 PRO 20 3HB PRO 20 -14.286 0.313 -8.446 158 HG2 PRO 20 2HG PRO 20 -14.671 1.264 -5.645 159 HG3 PRO 20 3HG PRO 20 -15.815 0.451 -6.728 160 HD2 PRO 20 2HD PRO 20 -14.500 -0.866 -4.730 161 HD3 PRO 20 3HD PRO 20 -14.983 -1.660 -6.246 162 HA PRO 21 HA PRO 21 -8.966 2.255 -6.617 163 HB2 PRO 21 2HB PRO 21 -10.109 4.456 -8.295 164 HB3 PRO 21 3HB PRO 21 -8.468 3.780 -8.292 165 HG2 PRO 21 2HG PRO 21 -10.245 3.242 -10.238 166 HG3 PRO 21 3HG PRO 21 -9.029 2.067 -9.709 167 HD2 PRO 21 2HD PRO 21 -11.967 2.085 -9.205 168 HD3 PRO 21 3HD PRO 21 -10.832 0.720 -9.280 169 H ALA 22 H ALA 22 -12.174 3.748 -6.842 170 HA ALA 22 HA ALA 22 -11.752 5.898 -5.024 171 HB1 ALA 22 3HB ALA 22 -13.719 5.841 -6.447 172 HB2 ALA 22 1HB ALA 22 -14.254 5.825 -4.766 173 HB3 ALA 22 2HB ALA 22 -14.255 4.332 -5.705 174 H ALA 23 H ALA 23 -12.816 2.550 -4.483 175 HA ALA 23 HA ALA 23 -13.382 2.835 -1.687 176 HB1 ALA 23 3HB ALA 23 -12.586 0.458 -3.379 177 HB2 ALA 23 1HB ALA 23 -14.202 0.883 -2.814 178 HB3 ALA 23 2HB ALA 23 -12.987 0.316 -1.668 179 H VAL 24 H VAL 24 -10.425 1.949 -3.449 180 HA VAL 24 HA VAL 24 -8.842 1.365 -1.121 181 HB VAL 24 HB VAL 24 -8.020 2.318 -3.879 182 HG11 VAL 24 1HG1 VAL 24 -6.436 1.354 -1.495 183 HG12 VAL 24 2HG1 VAL 24 -6.156 2.770 -2.509 184 HG13 VAL 24 3HG1 VAL 24 -5.819 1.158 -3.137 185 HG21 VAL 24 3HG2 VAL 24 -8.404 -0.397 -2.610 186 HG22 VAL 24 1HG2 VAL 24 -7.365 -0.180 -4.020 187 HG23 VAL 24 2HG2 VAL 24 -9.081 0.212 -4.119 188 H PHE 25 H PHE 25 -9.254 4.312 -3.063 189 HA PHE 25 HA PHE 25 -7.428 5.958 -1.611 190 HB2 PHE 25 2HB PHE 25 -8.338 6.620 -3.793 191 HB3 PHE 25 3HB PHE 25 -9.958 6.714 -3.103 192 HD1 PHE 25 HD1 PHE 25 -6.502 8.100 -2.702 193 HD2 PHE 25 HD2 PHE 25 -10.714 8.723 -2.130 194 HE1 PHE 25 HE1 PHE 25 -6.061 10.433 -1.983 195 HE2 PHE 25 HE2 PHE 25 -10.273 11.056 -1.413 196 HZ PHE 25 HZ PHE 25 -7.947 11.910 -1.339 197 H ALA 26 H ALA 26 -10.909 5.385 -1.209 198 HA ALA 26 HA ALA 26 -11.398 7.231 0.882 199 HB1 ALA 26 3HB ALA 26 -13.239 6.125 -0.229 200 HB2 ALA 26 1HB ALA 26 -13.292 5.675 1.475 201 HB3 ALA 26 2HB ALA 26 -12.652 4.542 0.282 202 H LEU 27 H LEU 27 -10.233 3.880 1.015 203 HA LEU 27 HA LEU 27 -10.279 3.612 3.861 204 HB2 LEU 27 2HB LEU 27 -8.755 2.278 1.634 205 HB3 LEU 27 3HB LEU 27 -8.369 1.890 3.309 206 HG LEU 27 HG LEU 27 -11.253 1.828 2.427 207 HD11 LEU 27 1HD1 LEU 27 -10.170 0.497 0.711 208 HD12 LEU 27 2HD1 LEU 27 -10.940 -0.598 1.860 209 HD13 LEU 27 3HD1 LEU 27 -9.198 -0.342 1.918 210 HD21 LEU 27 3HD2 LEU 27 -10.336 1.521 4.845 211 HD22 LEU 27 1HD2 LEU 27 -9.785 -0.056 4.285 212 HD23 LEU 27 2HD2 LEU 27 -11.503 0.341 4.256 213 H MET 28 H MET 28 -7.763 4.765 1.643 214 HA MET 28 HA MET 28 -5.893 5.263 3.846 215 HB2 MET 28 2HB MET 28 -5.818 5.891 0.887 216 HB3 MET 28 3HB MET 28 -4.511 6.299 1.998 217 HG2 MET 28 2HG MET 28 -4.370 3.890 2.645 218 HG3 MET 28 3HG MET 28 -5.590 3.522 1.427 219 HE1 MET 28 3HE MET 28 -4.204 3.879 -1.847 220 HE2 MET 28 1HE MET 28 -4.484 5.523 -1.259 221 HE3 MET 28 2HE MET 28 -5.567 4.219 -0.785 222 H THR 29 H THR 29 -8.551 6.893 2.561 223 HA THR 29 HA THR 29 -7.470 9.588 3.278 224 HB THR 29 HB THR 29 -10.077 8.851 1.924 225 HG1 THR 29 HG1 THR 29 -7.534 9.037 1.030 226 HG21 THR 29 3HG2 THR 29 -10.403 10.985 2.843 227 HG22 THR 29 1HG2 THR 29 -9.806 11.345 1.223 228 HG23 THR 29 2HG2 THR 29 -8.718 11.451 2.607 229 H ASP 30 H ASP 30 -9.112 7.054 4.681 230 HA ASP 30 HA ASP 30 -10.614 8.864 6.546 231 HB2 ASP 30 2HB ASP 30 -11.130 6.002 5.726 232 HB3 ASP 30 3HB ASP 30 -11.922 6.780 7.099 233 HA PRO 31 HA PRO 31 -6.899 7.443 8.952 234 HB2 PRO 31 2HB PRO 31 -8.288 9.381 10.786 235 HB3 PRO 31 3HB PRO 31 -6.555 9.214 10.437 236 HG2 PRO 31 2HG PRO 31 -7.950 11.174 9.349 237 HG3 PRO 31 3HG PRO 31 -6.739 10.301 8.391 238 HD2 PRO 31 2HD PRO 31 -9.724 10.093 8.293 239 HD3 PRO 31 3HD PRO 31 -8.541 9.947 6.975 240 H GLU 32 H GLU 32 -10.203 7.873 10.194 241 HA GLU 32 HA GLU 32 -9.903 6.110 12.449 242 HB2 GLU 32 2HB GLU 32 -12.345 7.047 10.923 243 HB3 GLU 32 3HB GLU 32 -12.421 6.132 12.430 244 HG2 GLU 32 2HG GLU 32 -11.153 7.892 13.583 245 HG3 GLU 32 3HG GLU 32 -11.017 8.797 12.076 246 H LYS 33 H LYS 33 -11.058 5.616 9.125 247 HA LYS 33 HA LYS 33 -11.945 2.923 9.498 248 HB2 LYS 33 2HB LYS 33 -12.366 4.542 7.516 249 HB3 LYS 33 3HB LYS 33 -10.808 3.984 6.912 250 HG2 LYS 33 2HG LYS 33 -12.214 2.443 5.888 251 HG3 LYS 33 3HG LYS 33 -11.853 1.581 7.380 252 HD2 LYS 33 2HD LYS 33 -13.942 2.552 8.380 253 HD3 LYS 33 3HD LYS 33 -14.311 3.265 6.810 254 HE2 LYS 33 2HE LYS 33 -13.892 0.301 7.284 255 HE3 LYS 33 3HE LYS 33 -15.470 1.082 7.190 256 HZ1 LYS 33 3HZ LYS 33 -14.638 0.075 5.072 257 HZ2 LYS 33 1HZ LYS 33 -13.440 1.273 5.040 258 HZ3 LYS 33 2HZ LYS 33 -15.079 1.711 4.965 259 H ILE 34 H ILE 34 -8.796 4.317 8.711 260 HA ILE 34 HA ILE 34 -7.468 1.883 7.998 261 HB ILE 34 HB ILE 34 -6.411 4.420 9.282 262 HG12 ILE 34 2HG1 ILE 34 -6.191 3.425 6.424 263 HG13 ILE 34 3HG1 ILE 34 -7.420 4.565 6.968 264 HG21 ILE 34 1HG2 ILE 34 -4.189 3.523 8.324 265 HG22 ILE 34 2HG2 ILE 34 -4.999 1.960 8.235 266 HG23 ILE 34 3HG2 ILE 34 -4.793 2.761 9.793 267 HD11 ILE 34 3HD1 ILE 34 -5.687 5.940 6.113 268 HD12 ILE 34 1HD1 ILE 34 -4.428 4.954 6.854 269 HD13 ILE 34 2HD1 ILE 34 -5.448 5.982 7.859 270 H LEU 35 H LEU 35 -7.887 3.539 11.111 271 HA LEU 35 HA LEU 35 -6.319 1.785 12.705 272 HB2 LEU 35 2HB LEU 35 -8.825 3.338 13.426 273 HB3 LEU 35 3HB LEU 35 -7.722 2.617 14.596 274 HG LEU 35 HG LEU 35 -6.921 4.700 12.538 275 HD11 LEU 35 1HD1 LEU 35 -8.536 5.458 14.373 276 HD12 LEU 35 2HD1 LEU 35 -7.008 6.333 14.280 277 HD13 LEU 35 3HD1 LEU 35 -7.245 5.103 15.520 278 HD21 LEU 35 3HD2 LEU 35 -4.933 3.588 13.091 279 HD22 LEU 35 1HD2 LEU 35 -5.471 3.218 14.729 280 HD23 LEU 35 2HD2 LEU 35 -4.966 4.855 14.312 281 H ARG 36 H ARG 36 -9.293 1.274 11.105 282 HA ARG 36 HA ARG 36 -10.460 -0.670 12.873 283 HB2 ARG 36 2HB ARG 36 -11.599 0.552 10.941 284 HB3 ARG 36 3HB ARG 36 -10.792 -0.599 9.873 285 HG2 ARG 36 2HG ARG 36 -11.837 -2.474 11.049 286 HG3 ARG 36 3HG ARG 36 -12.611 -1.360 12.176 287 HD2 ARG 36 2HD ARG 36 -13.050 -1.334 9.178 288 HD3 ARG 36 3HD ARG 36 -14.134 -2.106 10.336 289 HE ARG 36 HE ARG 36 -13.883 0.768 9.860 290 HH11 ARG 36 1HH2 ARG 36 -14.712 -1.728 12.104 291 HH12 ARG 36 2HH2 ARG 36 -15.865 -0.754 12.953 292 HH21 ARG 36 1HH1 ARG 36 -15.381 2.035 10.956 293 HH22 ARG 36 2HH1 ARG 36 -16.246 1.373 12.303 294 H TRP 37 H TRP 37 -8.343 -1.000 10.018 295 HA TRP 37 HA TRP 37 -7.974 -3.890 10.724 296 HB2 TRP 37 2HB TRP 37 -7.318 -4.217 8.379 297 HB3 TRP 37 3HB TRP 37 -8.924 -3.504 8.489 298 HD1 TRP 37 HD1 TRP 37 -9.138 -0.864 7.948 299 HE1 TRP 37 HE1 TRP 37 -7.708 0.651 6.428 300 HE3 TRP 37 HE3 TRP 37 -4.967 -3.772 7.473 301 HZ2 TRP 37 HZ2 TRP 37 -5.137 0.633 5.173 302 HZ3 TRP 37 HZ3 TRP 37 -3.047 -3.003 6.108 303 HH2 TRP 37 HH2 TRP 37 -3.126 -0.808 4.960 304 H MET 38 H MET 38 -6.548 -1.402 11.773 305 HA MET 38 HA MET 38 -3.870 -2.579 11.625 306 HB2 MET 38 2HB MET 38 -3.950 -1.143 9.592 307 HB3 MET 38 3HB MET 38 -4.298 0.249 10.618 308 HG2 MET 38 2HG MET 38 -2.177 -0.008 11.775 309 HG3 MET 38 3HG MET 38 -1.845 -1.509 10.911 310 HE1 MET 38 3HE MET 38 -1.065 2.431 10.670 311 HE2 MET 38 1HE MET 38 -2.782 2.022 10.782 312 HE3 MET 38 2HE MET 38 -2.135 2.723 9.303 313 H GLY 39 H GLY 39 -3.170 -2.497 13.678 314 HA2 GLY 39 2HA GLY 39 -4.355 -0.604 15.586 315 HA3 GLY 39 3HA GLY 39 -3.217 -1.892 15.972 316 H THR 40 H THR 40 -3.530 1.430 14.942 317 HA THR 40 HA THR 40 -0.896 2.055 15.993 318 HB THR 40 HB THR 40 -1.342 2.347 13.007 319 HG1 THR 40 HG1 THR 40 -0.814 0.248 13.529 320 HG21 THR 40 3HG2 THR 40 1.057 3.100 13.075 321 HG22 THR 40 1HG2 THR 40 0.947 3.117 14.835 322 HG23 THR 40 2HG2 THR 40 -0.058 4.206 13.877 323 H GLU 41 H GLU 41 -1.712 3.720 17.178 324 HA GLU 41 HA GLU 41 -3.845 5.419 16.607 325 HB2 GLU 41 2HB GLU 41 -1.279 6.070 18.087 326 HB3 GLU 41 3HB GLU 41 -2.724 7.077 18.120 327 HG2 GLU 41 2HG GLU 41 -3.031 5.774 20.040 328 HG3 GLU 41 3HG GLU 41 -3.935 4.848 18.847 329 H ALA 42 H ALA 42 -4.165 7.219 15.387 330 HA ALA 42 HA ALA 42 -1.927 8.666 14.171 331 HB1 ALA 42 3HB ALA 42 -2.894 8.282 11.834 332 HB2 ALA 42 1HB ALA 42 -3.785 6.928 12.533 333 HB3 ALA 42 2HB ALA 42 -2.021 6.922 12.543 334 H GLU 43 H GLU 43 -2.620 10.626 13.181 335 HA GLU 43 HA GLU 43 -5.488 11.328 13.260 336 HB2 GLU 43 2HB GLU 43 -4.630 11.824 15.554 337 HB3 GLU 43 3HB GLU 43 -3.401 12.869 14.843 338 HG2 GLU 43 2HG GLU 43 -5.248 14.260 15.566 339 HG3 GLU 43 3HG GLU 43 -5.253 14.225 13.806 340 H VAL 44 H VAL 44 -5.557 11.907 11.121 341 HA VAL 44 HA VAL 44 -3.645 14.025 10.194 342 HB VAL 44 HB VAL 44 -4.587 11.561 8.701 343 HG11 VAL 44 1HG1 VAL 44 -3.314 14.127 7.727 344 HG12 VAL 44 2HG1 VAL 44 -4.737 13.303 7.089 345 HG13 VAL 44 3HG1 VAL 44 -3.133 12.612 6.841 346 HG21 VAL 44 3HG2 VAL 44 -1.811 12.640 9.280 347 HG22 VAL 44 1HG2 VAL 44 -2.205 11.089 8.538 348 HG23 VAL 44 2HG2 VAL 44 -2.601 11.384 10.231 349 H GLU 45 H GLU 45 -4.586 15.719 9.156 350 HA GLU 45 HA GLU 45 -7.535 15.693 8.985 351 HB2 GLU 45 2HB GLU 45 -5.448 17.871 9.009 352 HB3 GLU 45 3HB GLU 45 -7.085 18.218 8.452 353 HG2 GLU 45 2HG GLU 45 -7.933 17.230 10.631 354 HG3 GLU 45 3HG GLU 45 -6.257 17.177 11.175 355 HA PRO 46 HA PRO 46 -7.930 15.190 4.595 356 HB2 PRO 46 2HB PRO 46 -9.252 17.895 4.624 357 HB3 PRO 46 3HB PRO 46 -9.804 16.385 3.873 358 HG2 PRO 46 2HG PRO 46 -10.843 17.269 6.173 359 HG3 PRO 46 3HG PRO 46 -10.618 15.539 5.852 360 HD2 PRO 46 2HD PRO 46 -9.110 17.307 7.707 361 HD3 PRO 46 3HD PRO 46 -9.333 15.543 7.741 362 H GLU 47 H GLU 47 -7.347 18.641 5.335 363 HA GLU 47 HA GLU 47 -4.923 18.587 3.618 364 HB2 GLU 47 2HB GLU 47 -7.448 20.001 2.980 365 HB3 GLU 47 3HB GLU 47 -6.030 21.047 2.921 366 HG2 GLU 47 2HG GLU 47 -6.385 20.091 0.726 367 HG3 GLU 47 3HG GLU 47 -4.928 19.375 1.419 368 HA PRO 48 HA PRO 48 -4.737 22.605 6.275 369 HB2 PRO 48 2HB PRO 48 -6.787 22.898 8.154 370 HB3 PRO 48 3HB PRO 48 -6.720 23.724 6.587 371 HG2 PRO 48 2HG PRO 48 -8.224 21.268 7.368 372 HG3 PRO 48 3HG PRO 48 -8.713 22.603 6.309 373 HD2 PRO 48 2HD PRO 48 -7.912 20.240 5.295 374 HD3 PRO 48 3HD PRO 48 -7.534 21.770 4.482 375 H GLY 49 H GLY 49 -3.557 22.665 8.174 376 HA2 GLY 49 2HA GLY 49 -3.160 21.945 10.496 377 HA3 GLY 49 3HA GLY 49 -3.844 20.372 10.083 378 H GLY 50 H GLY 50 -2.630 19.295 8.154 379 HA2 GLY 50 2HA GLY 50 -0.616 18.540 7.182 380 HA3 GLY 50 3HA GLY 50 0.211 19.924 7.898 381 H LEU 51 H LEU 51 -1.698 18.205 10.111 382 HA LEU 51 HA LEU 51 0.594 17.404 11.683 383 HB2 LEU 51 2HB LEU 51 -2.311 16.585 11.972 384 HB3 LEU 51 3HB LEU 51 -1.068 16.482 13.219 385 HG LEU 51 HG LEU 51 -1.998 19.047 11.894 386 HD11 LEU 51 1HD1 LEU 51 -3.703 18.031 13.389 387 HD12 LEU 51 2HD1 LEU 51 -3.068 19.541 14.042 388 HD13 LEU 51 3HD1 LEU 51 -2.517 17.998 14.694 389 HD21 LEU 51 3HD2 LEU 51 0.101 18.386 13.958 390 HD22 LEU 51 1HD2 LEU 51 -0.707 19.954 14.002 391 HD23 LEU 51 2HD2 LEU 51 0.206 19.478 12.577 392 H TYR 52 H TYR 52 1.444 15.370 12.022 393 HA TYR 52 HA TYR 52 0.232 12.998 10.812 394 HB2 TYR 52 2HB TYR 52 1.474 14.064 8.906 395 HB3 TYR 52 3HB TYR 52 2.959 13.907 9.845 396 HD1 TYR 52 HD2 TYR 52 0.200 12.017 8.234 397 HD2 TYR 52 HD1 TYR 52 4.074 11.796 10.074 398 HE1 TYR 52 HE2 TYR 52 0.429 9.670 7.466 399 HE2 TYR 52 HE1 TYR 52 4.304 9.447 9.308 400 HH TYR 52 HH TYR 52 2.055 8.020 7.067 401 H LEU 53 H LEU 53 0.277 12.417 13.059 402 HA LEU 53 HA LEU 53 3.002 11.734 14.118 403 HB2 LEU 53 2HB LEU 53 0.469 12.301 15.690 404 HB3 LEU 53 3HB LEU 53 2.068 11.976 16.361 405 HG LEU 53 HG LEU 53 1.353 14.328 14.584 406 HD11 LEU 53 1HD1 LEU 53 1.476 15.684 16.538 407 HD12 LEU 53 2HD1 LEU 53 2.165 14.372 17.495 408 HD13 LEU 53 3HD1 LEU 53 0.477 14.302 16.990 409 HD21 LEU 53 3HD2 LEU 53 3.710 15.049 15.519 410 HD22 LEU 53 1HD2 LEU 53 3.629 13.943 14.152 411 HD23 LEU 53 2HD2 LEU 53 3.936 13.319 15.772 412 H VAL 54 H VAL 54 3.374 9.677 14.677 413 HA VAL 54 HA VAL 54 1.087 7.741 14.627 414 HB VAL 54 HB VAL 54 2.656 6.110 13.585 415 HG11 VAL 54 1HG1 VAL 54 1.071 7.639 12.285 416 HG12 VAL 54 2HG1 VAL 54 2.416 6.962 11.368 417 HG13 VAL 54 3HG1 VAL 54 2.482 8.633 11.927 418 HG21 VAL 54 3HG2 VAL 54 4.711 7.133 12.490 419 HG22 VAL 54 1HG2 VAL 54 4.794 6.995 14.245 420 HG23 VAL 54 2HG2 VAL 54 4.448 8.553 13.498 421 H ASN 55 H ASN 55 1.035 6.371 16.294 422 HA ASN 55 HA ASN 55 1.481 5.740 18.531 423 HB2 ASN 55 2HB ASN 55 3.921 4.861 16.972 424 HB3 ASN 55 3HB ASN 55 3.572 4.331 18.616 425 HD21 ASN 55 1HD2 ASN 55 0.530 4.514 17.697 426 HD22 ASN 55 2HD2 ASN 55 0.310 3.027 16.914 427 H VAL 56 H VAL 56 4.892 5.981 18.176 428 HA VAL 56 HA VAL 56 5.195 7.591 20.510 429 HB VAL 56 HB VAL 56 7.142 7.023 18.262 430 HG11 VAL 56 1HG1 VAL 56 7.957 8.946 19.439 431 HG12 VAL 56 2HG1 VAL 56 8.837 7.563 20.088 432 HG13 VAL 56 3HG1 VAL 56 7.501 8.264 21.000 433 HG21 VAL 56 3HG2 VAL 56 6.977 5.789 21.019 434 HG22 VAL 56 1HG2 VAL 56 7.913 5.223 19.635 435 HG23 VAL 56 2HG2 VAL 56 6.154 5.094 19.623 436 H THR 57 H THR 57 5.260 9.757 20.794 437 HA THR 57 HA THR 57 5.135 11.506 18.359 438 HB THR 57 HB THR 57 3.886 13.090 19.734 439 HG1 THR 57 HG1 THR 57 3.328 12.479 21.857 440 HG21 THR 57 3HG2 THR 57 1.883 11.627 20.236 441 HG22 THR 57 1HG2 THR 57 2.888 10.237 19.823 442 HG23 THR 57 2HG2 THR 57 2.534 11.461 18.605 443 H GLY 58 H GLY 58 6.152 13.619 18.594 444 HA2 GLY 58 2HA GLY 58 7.674 14.825 20.419 445 HA3 GLY 58 3HA GLY 58 8.711 13.436 20.083 446 H ALA 59 H ALA 59 6.652 15.168 17.788 447 HA ALA 59 HA ALA 59 7.175 16.230 15.769 448 HB1 ALA 59 3HB ALA 59 8.222 17.813 17.445 449 HB2 ALA 59 1HB ALA 59 8.947 17.850 15.838 450 HB3 ALA 59 2HB ALA 59 9.756 16.994 17.152 451 H ARG 60 H ARG 60 9.764 16.665 14.644 452 HA ARG 60 HA ARG 60 11.330 15.606 13.279 453 HB2 ARG 60 2HB ARG 60 11.966 14.554 15.534 454 HB3 ARG 60 3HB ARG 60 11.025 13.152 15.028 455 HG2 ARG 60 2HG ARG 60 12.404 12.904 13.027 456 HG3 ARG 60 3HG ARG 60 13.318 14.351 13.453 457 HD2 ARG 60 2HD ARG 60 14.590 12.394 14.145 458 HD3 ARG 60 3HD ARG 60 14.008 13.228 15.585 459 HE ARG 60 HE ARG 60 12.120 11.214 14.800 460 HH11 ARG 60 1HH2 ARG 60 15.247 11.684 16.197 461 HH12 ARG 60 2HH2 ARG 60 15.198 10.216 17.113 462 HH21 ARG 60 1HH1 ARG 60 12.052 9.302 15.988 463 HH22 ARG 60 2HH1 ARG 60 13.393 8.870 16.995 464 H PHE 61 H PHE 61 8.200 14.389 13.810 465 HA PHE 61 HA PHE 61 8.285 12.270 11.815 466 HB2 PHE 61 2HB PHE 61 6.048 13.659 13.300 467 HB3 PHE 61 3HB PHE 61 5.735 12.451 12.054 468 HD1 PHE 61 HD2 PHE 61 6.788 10.144 12.294 469 HD2 PHE 61 HD1 PHE 61 6.688 13.007 15.496 470 HE1 PHE 61 HE2 PHE 61 7.238 8.333 13.927 471 HE2 PHE 61 HE1 PHE 61 7.141 11.196 17.128 472 HZ PHE 61 HZ PHE 61 7.416 8.860 16.344 473 H ALA 62 H ALA 62 7.571 12.364 9.714 474 HA ALA 62 HA ALA 62 7.392 13.370 7.607 475 HB1 ALA 62 3HB ALA 62 5.429 15.240 8.927 476 HB2 ALA 62 1HB ALA 62 5.062 13.530 8.705 477 HB3 ALA 62 2HB ALA 62 5.377 14.553 7.304 478 H ARG 63 H ARG 63 7.017 15.803 6.621 479 HA ARG 63 HA ARG 63 9.277 17.418 7.738 480 HB2 ARG 63 2HB ARG 63 8.120 17.333 4.934 481 HB3 ARG 63 3HB ARG 63 9.491 18.318 5.441 482 HG2 ARG 63 2HG ARG 63 9.615 15.358 5.977 483 HG3 ARG 63 3HG ARG 63 9.849 15.904 4.319 484 HD2 ARG 63 2HD ARG 63 12.014 15.755 5.454 485 HD3 ARG 63 3HD ARG 63 11.642 17.440 5.095 486 HE ARG 63 HE ARG 63 11.449 17.854 7.416 487 HH11 ARG 63 1HH2 ARG 63 11.571 14.473 6.709 488 HH12 ARG 63 2HH2 ARG 63 11.743 14.006 8.367 489 HH21 ARG 63 1HH1 ARG 63 11.662 17.255 9.569 490 HH22 ARG 63 2HH1 ARG 63 11.794 15.578 9.985 491 H GLY 64 H GLY 64 5.984 17.310 7.667 492 HA2 GLY 64 2HA GLY 64 4.620 19.024 8.677 493 HA3 GLY 64 3HA GLY 64 5.808 20.233 8.192 494 H SER 65 H SER 65 5.680 18.537 5.487 495 HA SER 65 HA SER 65 3.131 19.715 4.462 496 HB2 SER 65 2HB SER 65 5.881 20.119 3.266 497 HB3 SER 65 3HB SER 65 4.373 20.528 2.452 498 HG SER 65 HG SER 65 5.396 22.273 3.658 499 H PHE 66 H PHE 66 2.239 18.619 2.721 500 HA PHE 66 HA PHE 66 2.998 15.824 2.462 501 HB2 PHE 66 2HB PHE 66 0.871 17.551 1.186 502 HB3 PHE 66 3HB PHE 66 1.098 15.859 0.739 503 HD1 PHE 66 HD1 PHE 66 0.930 14.077 2.516 504 HD2 PHE 66 HD2 PHE 66 -0.211 18.156 3.231 505 HE1 PHE 66 HE1 PHE 66 -0.347 13.368 4.520 506 HE2 PHE 66 HE2 PHE 66 -1.490 17.446 5.236 507 HZ PHE 66 HZ PHE 66 -1.556 15.053 5.880 508 H ARG 67 H ARG 67 3.902 14.802 0.706 509 HA ARG 67 HA ARG 67 5.576 16.423 -1.045 510 HB2 ARG 67 2HB ARG 67 6.248 14.176 -0.120 511 HB3 ARG 67 3HB ARG 67 5.035 13.445 -1.173 512 HG2 ARG 67 2HG ARG 67 6.156 14.485 -3.141 513 HG3 ARG 67 3HG ARG 67 7.408 15.108 -2.067 514 HD2 ARG 67 2HD ARG 67 6.720 12.174 -2.394 515 HD3 ARG 67 3HD ARG 67 8.076 12.981 -3.180 516 HE ARG 67 HE ARG 67 7.913 12.240 -0.346 517 HH11 ARG 67 1HH2 ARG 67 9.393 14.198 -2.787 518 HH12 ARG 67 2HH2 ARG 67 10.845 14.449 -1.876 519 HH21 ARG 67 1HH1 ARG 67 9.795 12.563 0.832 520 HH22 ARG 67 2HH1 ARG 67 11.073 13.524 0.169 521 H GLU 68 H GLU 68 3.459 13.722 -2.032 522 HA GLU 68 HA GLU 68 2.084 15.514 -3.952 523 HB2 GLU 68 2HB GLU 68 4.332 14.147 -4.800 524 HB3 GLU 68 3HB GLU 68 3.056 13.015 -5.238 525 HG2 GLU 68 2HG GLU 68 3.156 15.949 -6.008 526 HG3 GLU 68 3HG GLU 68 3.506 14.593 -7.082 527 H VAL 69 H VAL 69 -0.003 14.978 -4.102 528 HA VAL 69 HA VAL 69 -0.843 12.189 -3.393 529 HB VAL 69 HB VAL 69 -2.074 14.814 -2.519 530 HG11 VAL 69 1HG1 VAL 69 -3.933 13.454 -3.080 531 HG12 VAL 69 2HG1 VAL 69 -3.716 13.206 -1.350 532 HG13 VAL 69 3HG1 VAL 69 -3.147 11.989 -2.493 533 HG21 VAL 69 3HG2 VAL 69 -1.624 13.999 -0.286 534 HG22 VAL 69 1HG2 VAL 69 -0.131 13.862 -1.216 535 HG23 VAL 69 2HG2 VAL 69 -1.115 12.430 -0.911 536 H VAL 70 H VAL 70 -2.206 11.293 -4.832 537 HA VAL 70 HA VAL 70 -3.775 13.022 -6.668 538 HB VAL 70 HB VAL 70 -2.321 10.654 -7.823 539 HG11 VAL 70 1HG1 VAL 70 -2.696 11.804 -9.888 540 HG12 VAL 70 2HG1 VAL 70 -3.066 13.315 -9.057 541 HG13 VAL 70 3HG1 VAL 70 -4.200 11.967 -8.978 542 HG21 VAL 70 3HG2 VAL 70 -0.537 11.934 -6.812 543 HG22 VAL 70 1HG2 VAL 70 -1.219 13.445 -7.415 544 HG23 VAL 70 2HG2 VAL 70 -0.536 12.274 -8.543 545 HA PRO 71 HA PRO 71 -6.464 9.797 -4.735 546 HB2 PRO 71 2HB PRO 71 -8.416 11.410 -6.352 547 HB3 PRO 71 3HB PRO 71 -8.560 10.809 -4.686 548 HG2 PRO 71 2HG PRO 71 -8.007 13.350 -5.142 549 HG3 PRO 71 3HG PRO 71 -7.186 12.472 -3.837 550 HD2 PRO 71 2HD PRO 71 -6.122 13.270 -6.527 551 HD3 PRO 71 3HD PRO 71 -5.291 13.200 -4.956 552 H VAL 72 H VAL 72 -7.715 8.072 -5.557 553 HA VAL 72 HA VAL 72 -7.774 6.240 -7.047 554 HB VAL 72 HB VAL 72 -9.325 6.797 -8.966 555 HG11 VAL 72 1HG1 VAL 72 -10.152 7.878 -6.256 556 HG12 VAL 72 2HG1 VAL 72 -10.075 6.163 -6.658 557 HG13 VAL 72 3HG1 VAL 72 -11.217 7.212 -7.495 558 HG21 VAL 72 3HG2 VAL 72 -9.332 9.557 -7.706 559 HG22 VAL 72 1HG2 VAL 72 -10.233 9.030 -9.124 560 HG23 VAL 72 2HG2 VAL 72 -8.480 9.174 -9.204 561 H HIS 73 H HIS 73 -5.289 7.592 -7.308 562 HA HIS 73 HA HIS 73 -4.600 6.733 -10.035 563 HB2 HIS 73 2HB HIS 73 -4.273 9.588 -9.090 564 HB3 HIS 73 3HB HIS 73 -3.353 8.915 -10.435 565 HD1 HIS 73 HD1 HIS 73 -6.602 10.389 -9.596 566 HD2 HIS 73 HD2 HIS 73 -5.087 7.958 -12.624 567 HE1 HIS 73 HE1 HIS 73 -8.298 10.446 -11.477 568 H ARG 74 H ARG 74 -2.801 8.967 -7.977 569 HA ARG 74 HA ARG 74 -1.008 6.743 -7.114 570 HB2 ARG 74 2HB ARG 74 -0.143 9.260 -8.555 571 HB3 ARG 74 3HB ARG 74 0.964 8.143 -7.756 572 HG2 ARG 74 2HG ARG 74 0.157 6.312 -9.208 573 HG3 ARG 74 3HG ARG 74 -0.931 7.441 -10.015 574 HD2 ARG 74 2HD ARG 74 2.073 7.812 -9.893 575 HD3 ARG 74 3HD ARG 74 1.234 7.049 -11.244 576 HE ARG 74 HE ARG 74 -0.040 9.515 -10.856 577 HH11 ARG 74 1HH2 ARG 74 3.123 8.321 -11.570 578 HH12 ARG 74 2HH2 ARG 74 3.582 9.719 -12.484 579 HH21 ARG 74 1HH1 ARG 74 0.548 11.334 -12.043 580 HH22 ARG 74 2HH1 ARG 74 2.127 11.421 -12.752 581 H LEU 75 H LEU 75 0.324 7.270 -5.301 582 HA LEU 75 HA LEU 75 -0.226 9.851 -3.935 583 HB2 LEU 75 2HB LEU 75 -1.861 7.973 -3.195 584 HB3 LEU 75 3HB LEU 75 -0.458 7.244 -2.418 585 HG LEU 75 HG LEU 75 -1.379 10.094 -1.939 586 HD11 LEU 75 1HD1 LEU 75 -1.875 7.567 -0.352 587 HD12 LEU 75 2HD1 LEU 75 -3.081 8.613 -1.102 588 HD13 LEU 75 3HD1 LEU 75 -2.142 9.194 0.274 589 HD21 LEU 75 3HD2 LEU 75 0.854 10.088 -1.292 590 HD22 LEU 75 1HD2 LEU 75 0.850 8.378 -0.867 591 HD23 LEU 75 2HD2 LEU 75 0.103 9.561 0.205 592 H ALA 76 H ALA 76 1.719 10.638 -3.362 593 HA ALA 76 HA ALA 76 3.945 8.721 -2.739 594 HB1 ALA 76 3HB ALA 76 4.135 10.192 -4.832 595 HB2 ALA 76 1HB ALA 76 5.480 10.261 -3.696 596 HB3 ALA 76 2HB ALA 76 4.283 11.556 -3.723 597 H TYR 77 H TYR 77 4.833 8.893 -0.764 598 HA TYR 77 HA TYR 77 4.962 11.375 0.714 599 HB2 TYR 77 2HB TYR 77 2.586 10.841 1.090 600 HB3 TYR 77 3HB TYR 77 3.039 9.251 1.708 601 HD1 TYR 77 HD1 TYR 77 3.669 12.901 2.242 602 HD2 TYR 77 HD2 TYR 77 3.537 8.983 3.997 603 HE1 TYR 77 HE1 TYR 77 4.037 13.894 4.483 604 HE2 TYR 77 HE2 TYR 77 3.905 9.976 6.239 605 HH TYR 77 HH TYR 77 4.203 11.838 7.395 606 H SER 78 H SER 78 6.385 11.197 2.455 607 HA SER 78 HA SER 78 8.121 8.874 2.427 608 HB2 SER 78 2HB SER 78 9.429 10.114 4.083 609 HB3 SER 78 3HB SER 78 8.966 11.177 2.757 610 HG SER 78 HG SER 78 8.121 11.124 5.409 611 H PHE 79 H PHE 79 8.532 7.438 4.160 612 HA PHE 79 HA PHE 79 7.096 7.490 6.647 613 HB2 PHE 79 2HB PHE 79 5.165 6.943 5.239 614 HB3 PHE 79 3HB PHE 79 6.047 5.590 4.528 615 HD1 PHE 79 HD2 PHE 79 4.848 6.946 7.799 616 HD2 PHE 79 HD1 PHE 79 6.017 3.465 5.570 617 HE1 PHE 79 HE2 PHE 79 4.125 5.500 9.679 618 HE2 PHE 79 HE1 PHE 79 5.296 2.018 7.452 619 HZ PHE 79 HZ PHE 79 4.349 3.037 9.506 620 H GLY 80 H GLY 80 7.331 5.307 7.779 621 HA2 GLY 80 2HA GLY 80 8.756 3.095 7.170 622 HA3 GLY 80 3HA GLY 80 10.052 4.290 7.287 623 H TRP 81 H TRP 81 7.770 5.433 9.310 624 HA TRP 81 HA TRP 81 9.216 4.504 11.678 625 HB2 TRP 81 2HB TRP 81 6.756 6.262 11.462 626 HB3 TRP 81 3HB TRP 81 7.749 6.046 12.901 627 HD1 TRP 81 HD1 TRP 81 10.490 6.660 12.426 628 HE1 TRP 81 HE1 TRP 81 11.411 8.734 11.202 629 HE3 TRP 81 HE3 TRP 81 6.349 8.031 9.768 630 HZ2 TRP 81 HZ2 TRP 81 10.512 10.711 9.340 631 HZ3 TRP 81 HZ3 TRP 81 6.411 10.010 8.278 632 HH2 TRP 81 HH2 TRP 81 8.485 11.350 8.060 633 H ASP 82 H ASP 82 7.705 4.001 13.652 634 HA ASP 82 HA ASP 82 6.307 2.484 14.715 635 HB2 ASP 82 2HB ASP 82 4.570 3.729 13.367 636 HB3 ASP 82 3HB ASP 82 4.681 2.443 12.165 637 H GLY 83 H GLY 83 6.861 0.459 15.109 638 HA2 GLY 83 2HA GLY 83 7.124 -1.865 14.728 639 HA3 GLY 83 3HA GLY 83 6.776 -1.596 13.020 640 H SER 84 H SER 84 8.831 0.653 13.099 641 HA SER 84 HA SER 84 11.109 -1.036 12.350 642 HB2 SER 84 2HB SER 84 10.731 1.969 12.311 643 HB3 SER 84 3HB SER 84 12.128 1.119 11.654 644 HG SER 84 HG SER 84 9.494 1.245 10.741 645 H GLU 85 H GLU 85 13.236 -0.782 13.225 646 HA GLU 85 HA GLU 85 13.235 -0.089 16.126 647 HB2 GLU 85 2HB GLU 85 13.969 -2.370 15.404 648 HB3 GLU 85 3HB GLU 85 15.279 -1.619 14.491 649 HG2 GLU 85 2HG GLU 85 16.213 -0.661 16.521 650 HG3 GLU 85 3HG GLU 85 14.856 -1.267 17.469 651 H VAL 86 H VAL 86 14.476 0.976 13.063 652 HA VAL 86 HA VAL 86 15.796 3.239 14.408 653 HB VAL 86 HB VAL 86 17.558 1.449 14.290 654 HG11 VAL 86 1HG1 VAL 86 16.564 0.596 12.032 655 HG12 VAL 86 2HG1 VAL 86 18.315 0.582 12.236 656 HG13 VAL 86 3HG1 VAL 86 17.548 1.865 11.303 657 HG21 VAL 86 3HG2 VAL 86 17.963 4.006 14.080 658 HG22 VAL 86 1HG2 VAL 86 18.228 3.682 12.368 659 HG23 VAL 86 2HG2 VAL 86 19.266 2.934 13.576 660 H VAL 87 H VAL 87 15.299 5.006 13.262 661 HA VAL 87 HA VAL 87 15.235 4.923 10.308 662 HB VAL 87 HB VAL 87 12.834 5.690 11.992 663 HG11 VAL 87 1HG1 VAL 87 12.999 7.273 10.200 664 HG12 VAL 87 2HG1 VAL 87 11.821 6.068 9.680 665 HG13 VAL 87 3HG1 VAL 87 13.468 6.020 9.051 666 HG21 VAL 87 3HG2 VAL 87 11.770 3.918 10.502 667 HG22 VAL 87 1HG2 VAL 87 12.929 3.307 11.679 668 HG23 VAL 87 2HG2 VAL 87 13.402 3.486 9.991 669 HA PRO 88 HA PRO 88 17.158 8.726 12.136 670 HB2 PRO 88 2HB PRO 88 18.490 8.826 9.481 671 HB3 PRO 88 3HB PRO 88 19.213 8.835 11.099 672 HG2 PRO 88 2HG PRO 88 19.322 6.698 9.431 673 HG3 PRO 88 3HG PRO 88 19.342 6.556 11.197 674 HD2 PRO 88 2HD PRO 88 17.113 5.986 9.288 675 HD3 PRO 88 3HD PRO 88 17.467 5.250 10.863 676 HA PRO 89 HA PRO 89 14.991 11.999 10.092 677 HB2 PRO 89 2HB PRO 89 17.430 13.292 8.956 678 HB3 PRO 89 3HB PRO 89 16.230 13.946 10.089 679 HG2 PRO 89 2HG PRO 89 18.651 13.264 10.932 680 HG3 PRO 89 3HG PRO 89 17.217 12.929 11.922 681 HD2 PRO 89 2HD PRO 89 18.777 11.030 10.182 682 HD3 PRO 89 3HD PRO 89 18.134 10.781 11.822 683 H GLY 90 H GLY 90 13.975 12.500 8.152 684 HA2 GLY 90 2HA GLY 90 13.605 12.553 5.814 685 HA3 GLY 90 3HA GLY 90 15.236 11.931 5.570 686 H SER 91 H SER 91 14.596 9.787 7.613 687 HA SER 91 HA SER 91 14.229 7.479 7.304 688 HB2 SER 91 2HB SER 91 11.883 6.973 7.459 689 HB3 SER 91 3HB SER 91 12.180 8.455 8.363 690 HG SER 91 HG SER 91 11.211 9.608 6.813 691 H SER 92 H SER 92 12.184 6.230 5.759 692 HA SER 92 HA SER 92 13.568 6.209 3.150 693 HB2 SER 92 2HB SER 92 11.519 4.423 4.450 694 HB3 SER 92 3HB SER 92 11.992 4.228 2.765 695 HG SER 92 HG SER 92 13.319 3.570 5.051 696 H LEU 93 H LEU 93 11.866 5.594 1.301 697 HA LEU 93 HA LEU 93 9.772 7.732 1.299 698 HB2 LEU 93 2HB LEU 93 11.591 8.336 -0.192 699 HB3 LEU 93 3HB LEU 93 11.531 6.753 -0.962 700 HG LEU 93 HG LEU 93 9.293 7.210 -1.828 701 HD11 LEU 93 1HD1 LEU 93 9.540 9.654 -0.075 702 HD12 LEU 93 2HD1 LEU 93 8.194 8.523 -0.222 703 HD13 LEU 93 3HD1 LEU 93 8.501 9.695 -1.500 704 HD21 LEU 93 3HD2 LEU 93 11.149 9.567 -2.289 705 HD22 LEU 93 1HD2 LEU 93 9.850 9.045 -3.361 706 HD23 LEU 93 2HD2 LEU 93 11.258 8.013 -3.115 707 H VAL 94 H VAL 94 7.750 7.036 0.941 708 HA VAL 94 HA VAL 94 7.350 4.274 -0.162 709 HB VAL 94 HB VAL 94 5.819 5.801 1.957 710 HG11 VAL 94 1HG1 VAL 94 5.101 3.307 0.405 711 HG12 VAL 94 2HG1 VAL 94 4.127 4.759 0.635 712 HG13 VAL 94 3HG1 VAL 94 4.406 3.660 1.986 713 HG21 VAL 94 3HG2 VAL 94 7.736 4.655 2.850 714 HG22 VAL 94 1HG2 VAL 94 7.392 3.209 1.898 715 HG23 VAL 94 2HG2 VAL 94 6.331 3.660 3.230 716 H GLU 95 H GLU 95 6.090 4.110 -1.922 717 HA GLU 95 HA GLU 95 4.340 6.420 -2.687 718 HB2 GLU 95 2HB GLU 95 6.282 4.900 -4.448 719 HB3 GLU 95 3HB GLU 95 5.036 5.981 -5.068 720 HG2 GLU 95 2HG GLU 95 5.994 7.857 -3.841 721 HG3 GLU 95 3HG GLU 95 7.186 6.795 -3.092 722 H ILE 96 H ILE 96 2.405 5.824 -3.652 723 HA ILE 96 HA ILE 96 1.890 2.888 -3.990 724 HB ILE 96 HB ILE 96 0.078 4.969 -2.740 725 HG12 ILE 96 2HG1 ILE 96 1.186 2.392 -1.591 726 HG13 ILE 96 3HG1 ILE 96 1.953 3.962 -1.351 727 HG21 ILE 96 1HG2 ILE 96 -0.394 2.133 -3.668 728 HG22 ILE 96 2HG2 ILE 96 -1.363 3.569 -3.993 729 HG23 ILE 96 3HG2 ILE 96 -1.368 2.847 -2.383 730 HD11 ILE 96 3HD1 ILE 96 0.092 4.809 -0.144 731 HD12 ILE 96 1HD1 ILE 96 0.330 3.177 0.481 732 HD13 ILE 96 2HD1 ILE 96 -0.956 3.496 -0.682 733 H ASP 97 H ASP 97 0.974 2.355 -5.891 734 HA ASP 97 HA ASP 97 -0.234 4.540 -7.565 735 HB2 ASP 97 2HB ASP 97 1.547 2.237 -8.394 736 HB3 ASP 97 3HB ASP 97 0.609 3.196 -9.539 737 H LEU 98 H LEU 98 -2.196 4.097 -8.421 738 HA LEU 98 HA LEU 98 -3.382 1.394 -7.889 739 HB2 LEU 98 2HB LEU 98 -4.797 4.032 -8.379 740 HB3 LEU 98 3HB LEU 98 -5.539 2.514 -7.869 741 HG LEU 98 HG LEU 98 -3.485 4.088 -6.286 742 HD11 LEU 98 1HD1 LEU 98 -6.438 3.642 -5.755 743 HD12 LEU 98 2HD1 LEU 98 -5.755 5.129 -6.412 744 HD13 LEU 98 3HD1 LEU 98 -5.328 4.608 -4.783 745 HD21 LEU 98 3HD2 LEU 98 -4.354 2.406 -4.477 746 HD22 LEU 98 1HD2 LEU 98 -3.167 1.842 -5.650 747 HD23 LEU 98 2HD2 LEU 98 -4.873 1.440 -5.858 748 H ILE 99 H ILE 99 -3.976 0.191 -9.611 749 HA ILE 99 HA ILE 99 -4.009 1.508 -12.314 750 HB ILE 99 HB ILE 99 -3.247 -1.312 -11.542 751 HG12 ILE 99 2HG1 ILE 99 -1.572 0.841 -12.852 752 HG13 ILE 99 3HG1 ILE 99 -1.602 0.596 -11.107 753 HG21 ILE 99 1HG2 ILE 99 -2.610 -1.403 -14.008 754 HG22 ILE 99 2HG2 ILE 99 -3.596 0.047 -14.209 755 HG23 ILE 99 3HG2 ILE 99 -4.334 -1.454 -13.643 756 HD11 ILE 99 3HD1 ILE 99 -0.966 -1.629 -13.057 757 HD12 ILE 99 1HD1 ILE 99 -0.718 -1.621 -11.310 758 HD13 ILE 99 2HD1 ILE 99 0.274 -0.598 -12.349 759 H GLU 100 H GLU 100 -5.862 1.384 -13.408 760 HA GLU 100 HA GLU 100 -8.171 0.048 -12.226 761 HB2 GLU 100 2HB GLU 100 -7.780 1.650 -14.767 762 HB3 GLU 100 3HB GLU 100 -9.339 0.991 -14.266 763 HG2 GLU 100 2HG GLU 100 -9.203 2.243 -12.152 764 HG3 GLU 100 3HG GLU 100 -7.629 2.883 -12.624 765 H GLN 101 H GLN 101 -8.337 -2.109 -12.475 766 HA GLN 101 HA GLN 101 -7.501 -3.365 -15.058 767 HB2 GLN 101 2HB GLN 101 -7.921 -4.493 -12.275 768 HB3 GLN 101 3HB GLN 101 -7.643 -5.501 -13.696 769 HG2 GLN 101 2HG GLN 101 -5.496 -4.384 -14.092 770 HG3 GLN 101 3HG GLN 101 -5.780 -3.317 -12.717 771 HE21 GLN 101 1HE2 GLN 101 -3.639 -5.453 -13.154 772 HE22 GLN 101 2HE2 GLN 101 -3.770 -6.467 -11.799 773 H GLY 102 H GLY 102 -10.196 -2.282 -13.364 774 HA2 GLY 102 2HA GLY 102 -12.431 -2.337 -14.241 775 HA3 GLY 102 3HA GLY 102 -12.001 -3.750 -15.201 776 H GLY 103 H GLY 103 -11.418 -5.732 -13.770 777 HA2 GLY 103 2HA GLY 103 -13.716 -6.236 -12.037 778 HA3 GLY 103 3HA GLY 103 -12.456 -7.395 -12.457 779 H GLY 104 H GLY 104 -10.803 -4.743 -11.489 780 HA2 GLY 104 2HA GLY 104 -11.101 -4.704 -8.656 781 HA3 GLY 104 3HA GLY 104 -9.871 -5.900 -9.066 782 H THR 105 H THR 105 -8.759 -4.023 -7.669 783 HA THR 105 HA THR 105 -7.491 -2.134 -9.630 784 HB THR 105 HB THR 105 -8.119 -1.592 -6.718 785 HG1 THR 105 HG1 THR 105 -9.958 -1.457 -7.964 786 HG21 THR 105 3HG2 THR 105 -6.108 -0.447 -7.309 787 HG22 THR 105 1HG2 THR 105 -7.397 0.745 -7.455 788 HG23 THR 105 2HG2 THR 105 -6.738 -0.018 -8.900 789 H LEU 106 H LEU 106 -5.356 -2.294 -9.748 790 HA LEU 106 HA LEU 106 -3.966 -4.140 -7.946 791 HB2 LEU 106 2HB LEU 106 -3.649 -3.534 -10.616 792 HB3 LEU 106 3HB LEU 106 -2.360 -2.571 -9.897 793 HG LEU 106 HG LEU 106 -1.462 -4.740 -10.428 794 HD11 LEU 106 1HD1 LEU 106 -0.402 -5.149 -8.393 795 HD12 LEU 106 2HD1 LEU 106 -1.879 -4.958 -7.456 796 HD13 LEU 106 3HD1 LEU 106 -1.052 -3.539 -8.099 797 HD21 LEU 106 3HD2 LEU 106 -3.994 -5.724 -10.006 798 HD22 LEU 106 1HD2 LEU 106 -3.182 -6.266 -8.539 799 HD23 LEU 106 2HD2 LEU 106 -2.555 -6.729 -10.119 800 H LEU 107 H LEU 107 -2.633 -3.553 -6.316 801 HA LEU 107 HA LEU 107 -2.097 -0.624 -5.943 802 HB2 LEU 107 2HB LEU 107 -3.681 -1.820 -4.309 803 HB3 LEU 107 3HB LEU 107 -2.261 -2.695 -3.742 804 HG LEU 107 HG LEU 107 -2.424 0.331 -3.870 805 HD11 LEU 107 1HD1 LEU 107 -4.118 -0.621 -2.320 806 HD12 LEU 107 2HD1 LEU 107 -2.873 0.305 -1.484 807 HD13 LEU 107 3HD1 LEU 107 -2.825 -1.458 -1.460 808 HD21 LEU 107 3HD2 LEU 107 -0.556 -0.105 -2.038 809 HD22 LEU 107 1HD2 LEU 107 -0.149 -0.173 -3.747 810 HD23 LEU 107 2HD2 LEU 107 -0.410 -1.664 -2.845 811 H ARG 108 H ARG 108 -0.007 -0.234 -6.349 812 HA ARG 108 HA ARG 108 2.023 -2.366 -5.827 813 HB2 ARG 108 2HB ARG 108 2.121 0.134 -7.538 814 HB3 ARG 108 3HB ARG 108 3.481 -0.965 -7.298 815 HG2 ARG 108 2HG ARG 108 2.153 -2.822 -8.218 816 HG3 ARG 108 3HG ARG 108 0.783 -1.737 -8.444 817 HD2 ARG 108 2HD ARG 108 3.495 -1.311 -9.729 818 HD3 ARG 108 3HD ARG 108 2.143 -2.110 -10.530 819 HE ARG 108 HE ARG 108 1.138 0.344 -9.630 820 HH11 ARG 108 1HH2 ARG 108 3.674 -0.803 -11.676 821 HH12 ARG 108 2HH2 ARG 108 3.612 0.566 -12.734 822 HH21 ARG 108 1HH1 ARG 108 1.048 2.126 -11.006 823 HH22 ARG 108 2HH1 ARG 108 2.128 2.222 -12.356 824 H LEU 109 H LEU 109 3.530 -2.060 -4.286 825 HA LEU 109 HA LEU 109 3.639 0.611 -2.925 826 HB2 LEU 109 2HB LEU 109 2.647 -1.236 -1.575 827 HB3 LEU 109 3HB LEU 109 4.158 -2.127 -1.738 828 HG LEU 109 HG LEU 109 4.495 0.676 -0.774 829 HD11 LEU 109 1HD1 LEU 109 3.794 0.107 1.543 830 HD12 LEU 109 2HD1 LEU 109 3.086 -1.390 0.933 831 HD13 LEU 109 3HD1 LEU 109 2.441 0.167 0.413 832 HD21 LEU 109 3HD2 LEU 109 6.227 -1.256 -0.918 833 HD22 LEU 109 1HD2 LEU 109 5.448 -1.878 0.536 834 HD23 LEU 109 2HD2 LEU 109 6.204 -0.284 0.552 835 H THR 110 H THR 110 5.557 1.598 -3.055 836 HA THR 110 HA THR 110 7.994 -0.045 -3.676 837 HB THR 110 HB THR 110 7.395 2.838 -4.399 838 HG1 THR 110 HG1 THR 110 6.974 2.074 -6.359 839 HG21 THR 110 3HG2 THR 110 9.791 1.042 -4.798 840 HG22 THR 110 1HG2 THR 110 9.741 2.647 -4.065 841 HG23 THR 110 2HG2 THR 110 9.508 2.462 -5.804 842 H HIS 111 H HIS 111 9.402 -0.106 -2.058 843 HA HIS 111 HA HIS 111 9.481 2.157 -0.090 844 HB2 HIS 111 2HB HIS 111 8.618 -0.208 0.641 845 HB3 HIS 111 3HB HIS 111 10.318 -0.667 0.579 846 HD1 HIS 111 HD1 HIS 111 11.946 1.095 1.990 847 HD2 HIS 111 HD2 HIS 111 7.913 0.967 3.032 848 HE1 HIS 111 HE1 HIS 111 11.771 2.105 4.304 849 H SER 112 H SER 112 11.317 3.271 -0.328 850 HA SER 112 HA SER 112 13.865 1.793 -0.830 851 HB2 SER 112 2HB SER 112 12.996 2.765 -2.981 852 HB3 SER 112 3HB SER 112 13.084 4.359 -2.239 853 HG SER 112 HG SER 112 15.275 4.152 -2.074 854 H GLY 113 H GLY 113 15.719 2.871 -0.035 855 HA2 GLY 113 2HA GLY 113 16.897 4.575 1.167 856 HA3 GLY 113 3HA GLY 113 15.360 5.365 1.526 857 H LEU 114 H LEU 114 15.819 1.929 1.956 858 HA LEU 114 HA LEU 114 14.928 2.050 4.672 859 HB2 LEU 114 2HB LEU 114 16.118 -0.114 2.950 860 HB3 LEU 114 3HB LEU 114 15.765 -0.416 4.648 861 HG LEU 114 HG LEU 114 13.630 0.833 2.924 862 HD11 LEU 114 1HD1 LEU 114 12.819 -1.349 2.233 863 HD12 LEU 114 2HD1 LEU 114 14.148 -2.148 3.067 864 HD13 LEU 114 3HD1 LEU 114 14.472 -1.140 1.657 865 HD21 LEU 114 3HD2 LEU 114 12.169 -0.459 4.472 866 HD22 LEU 114 1HD2 LEU 114 13.247 0.627 5.345 867 HD23 LEU 114 2HD2 LEU 114 13.605 -1.096 5.271 868 HA PRO 115 HA PRO 115 18.694 2.863 6.832 869 HB2 PRO 115 2HB PRO 115 18.288 1.424 9.151 870 HB3 PRO 115 3HB PRO 115 17.475 2.962 8.798 871 HG2 PRO 115 2HG PRO 115 16.450 0.170 8.499 872 HG3 PRO 115 3HG PRO 115 15.623 1.614 9.109 873 HD2 PRO 115 2HD PRO 115 15.226 0.691 6.590 874 HD3 PRO 115 3HD PRO 115 15.167 2.421 6.975 875 H SER 116 H SER 116 17.931 -0.491 7.746 876 HA SER 116 HA SER 116 20.557 -1.365 6.600 877 HB2 SER 116 2HB SER 116 19.355 -2.076 9.287 878 HB3 SER 116 3HB SER 116 20.736 -2.904 8.574 879 HG SER 116 HG SER 116 21.826 -1.356 9.494 880 H ALA 117 H ALA 117 20.626 -3.733 6.266 881 HA ALA 117 HA ALA 117 18.403 -4.653 4.734 882 HB1 ALA 117 3HB ALA 117 19.626 -6.727 4.537 883 HB2 ALA 117 1HB ALA 117 20.585 -6.344 5.967 884 HB3 ALA 117 2HB ALA 117 20.791 -5.404 4.490 885 H GLU 118 H GLU 118 19.356 -5.236 8.090 886 HA GLU 118 HA GLU 118 17.673 -7.406 8.717 887 HB2 GLU 118 2HB GLU 118 18.448 -5.003 10.395 888 HB3 GLU 118 3HB GLU 118 17.639 -6.429 11.047 889 HG2 GLU 118 2HG GLU 118 19.503 -7.847 10.329 890 HG3 GLU 118 3HG GLU 118 20.299 -6.458 9.590 891 H GLN 119 H GLN 119 16.908 -3.924 8.832 892 HA GLN 119 HA GLN 119 14.144 -4.336 9.576 893 HB2 GLN 119 2HB GLN 119 15.493 -1.960 8.258 894 HB3 GLN 119 3HB GLN 119 13.884 -1.944 8.981 895 HG2 GLN 119 2HG GLN 119 16.444 -2.609 10.468 896 HG3 GLN 119 3HG GLN 119 15.622 -1.048 10.526 897 HE21 GLN 119 1HE2 GLN 119 15.966 -3.760 12.341 898 HE22 GLN 119 2HE2 GLN 119 14.444 -3.819 13.092 899 H CYS 120 H CYS 120 15.875 -4.129 6.525 900 HA CYS 120 HA CYS 120 13.646 -3.713 4.790 901 HB2 CYS 120 2HB CYS 120 16.142 -5.341 4.230 902 HB3 CYS 120 3HB CYS 120 15.084 -4.601 3.031 903 HG CYS 120 HG CYS 120 15.993 -2.303 3.607 904 H ALA 121 H ALA 121 15.144 -6.699 6.018 905 HA ALA 121 HA ALA 121 13.421 -8.518 4.620 906 HB1 ALA 121 3HB ALA 121 15.619 -9.039 5.831 907 HB2 ALA 121 1HB ALA 121 14.313 -10.199 6.071 908 HB3 ALA 121 2HB ALA 121 14.683 -9.014 7.324 909 H GLY 122 H GLY 122 13.266 -7.126 7.893 910 HA2 GLY 122 2HA GLY 122 10.847 -8.465 8.674 911 HA3 GLY 122 3HA GLY 122 11.496 -7.007 9.425 912 H HIS 123 H HIS 123 11.478 -5.378 7.068 913 HA HIS 123 HA HIS 123 8.780 -4.399 7.165 914 HB2 HIS 123 2HB HIS 123 11.144 -3.820 5.376 915 HB3 HIS 123 3HB HIS 123 9.593 -3.015 5.149 916 HD1 HIS 123 HD1 HIS 123 11.111 -3.895 8.502 917 HD2 HIS 123 HD2 HIS 123 10.284 -0.511 6.212 918 HE1 HIS 123 HE1 HIS 123 11.547 -1.896 9.995 919 H GLU 124 H GLU 124 10.571 -6.231 4.680 920 HA GLU 124 HA GLU 124 8.561 -6.299 2.695 921 HB2 GLU 124 2HB GLU 124 10.902 -7.176 2.426 922 HB3 GLU 124 3HB GLU 124 10.441 -8.571 3.404 923 HG2 GLU 124 2HG GLU 124 8.695 -9.163 1.788 924 HG3 GLU 124 3HG GLU 124 9.088 -7.743 0.821 925 H GLU 125 H GLU 125 9.123 -8.578 5.382 926 HA GLU 125 HA GLU 125 6.819 -10.209 4.797 927 HB2 GLU 125 2HB GLU 125 8.403 -9.806 7.351 928 HB3 GLU 125 3HB GLU 125 7.162 -11.041 7.146 929 HG2 GLU 125 2HG GLU 125 9.589 -10.783 5.350 930 HG3 GLU 125 3HG GLU 125 9.512 -11.863 6.742 931 H GLY 126 H GLY 126 7.373 -7.384 6.836 932 HA2 GLY 126 2HA GLY 126 4.846 -7.416 8.191 933 HA3 GLY 126 3HA GLY 126 5.878 -6.000 7.988 934 H TRP 127 H TRP 127 5.942 -5.629 5.305 935 HA TRP 127 HA TRP 127 3.480 -4.342 4.736 936 HB2 TRP 127 2HB TRP 127 5.783 -5.204 2.982 937 HB3 TRP 127 3HB TRP 127 4.394 -4.335 2.331 938 HD1 TRP 127 HD1 TRP 127 7.696 -3.680 3.667 939 HE1 TRP 127 HE1 TRP 127 7.919 -1.256 4.513 940 HE3 TRP 127 HE3 TRP 127 2.770 -2.334 3.799 941 HZ2 TRP 127 HZ2 TRP 127 6.232 0.961 5.158 942 HZ3 TRP 127 HZ3 TRP 127 2.108 -0.064 4.531 943 HH2 TRP 127 HH2 TRP 127 3.831 1.584 5.209 944 H ALA 128 H ALA 128 4.670 -7.545 3.805 945 HA ALA 128 HA ALA 128 2.554 -8.193 1.995 946 HB1 ALA 128 3HB ALA 128 4.722 -9.472 2.322 947 HB2 ALA 128 1HB ALA 128 3.275 -10.478 2.236 948 HB3 ALA 128 2HB ALA 128 4.019 -10.133 3.798 949 H HIS 129 H HIS 129 2.866 -8.551 5.509 950 HA HIS 129 HA HIS 129 0.410 -10.006 5.887 951 HB2 HIS 129 2HB HIS 129 2.183 -9.912 7.605 952 HB3 HIS 129 3HB HIS 129 1.891 -8.185 7.806 953 HD1 HIS 129 HD1 HIS 129 -0.091 -11.439 8.012 954 HD2 HIS 129 HD2 HIS 129 -0.026 -7.637 9.716 955 HE1 HIS 129 HE1 HIS 129 -1.897 -11.420 9.786 956 H TYR 130 H TYR 130 1.204 -6.535 6.135 957 HA TYR 130 HA TYR 130 -1.454 -5.690 6.819 958 HB2 TYR 130 2HB TYR 130 0.831 -4.214 5.478 959 HB3 TYR 130 3HB TYR 130 -0.660 -3.438 6.002 960 HD1 TYR 130 HD2 TYR 130 -1.370 -4.102 8.528 961 HD2 TYR 130 HD1 TYR 130 2.634 -4.139 6.971 962 HE1 TYR 130 HE2 TYR 130 -0.471 -3.913 10.830 963 HE2 TYR 130 HE1 TYR 130 3.532 -3.954 9.275 964 HH TYR 130 HH TYR 130 2.352 -4.692 11.771 965 H LEU 131 H LEU 131 0.230 -6.066 3.724 966 HA LEU 131 HA LEU 131 -1.808 -4.955 2.053 967 HB2 LEU 131 2HB LEU 131 0.371 -6.999 1.599 968 HB3 LEU 131 3HB LEU 131 -0.733 -6.545 0.305 969 HG LEU 131 HG LEU 131 0.849 -4.500 1.882 970 HD11 LEU 131 1HD1 LEU 131 1.601 -6.013 -0.629 971 HD12 LEU 131 2HD1 LEU 131 2.511 -5.912 0.880 972 HD13 LEU 131 3HD1 LEU 131 2.365 -4.494 -0.161 973 HD21 LEU 131 3HD2 LEU 131 -0.781 -4.480 -0.667 974 HD22 LEU 131 1HD2 LEU 131 0.490 -3.286 -0.415 975 HD23 LEU 131 2HD2 LEU 131 -0.863 -3.375 0.704 976 H GLY 132 H GLY 132 -1.238 -8.238 3.235 977 HA2 GLY 132 2HA GLY 132 -3.327 -9.523 1.776 978 HA3 GLY 132 3HA GLY 132 -2.627 -10.117 3.282 979 H ARG 133 H ARG 133 -3.297 -7.943 4.950 980 HA ARG 133 HA ARG 133 -6.001 -8.616 5.651 981 HB2 ARG 133 2HB ARG 133 -4.254 -6.292 6.513 982 HB3 ARG 133 3HB ARG 133 -5.766 -6.750 7.293 983 HG2 ARG 133 2HG ARG 133 -3.538 -8.760 6.956 984 HG3 ARG 133 3HG ARG 133 -3.532 -7.633 8.311 985 HD2 ARG 133 2HD ARG 133 -5.828 -8.432 8.920 986 HD3 ARG 133 3HD ARG 133 -5.709 -9.641 7.648 987 HE ARG 133 HE ARG 133 -3.435 -9.872 9.353 988 HH11 ARG 133 1HH2 ARG 133 -6.857 -10.354 9.255 989 HH12 ARG 133 2HH2 ARG 133 -6.836 -11.647 10.408 990 HH21 ARG 133 1HH1 ARG 133 -3.400 -11.549 10.851 991 HH22 ARG 133 2HH1 ARG 133 -4.882 -12.321 11.310 992 H LEU 134 H LEU 134 -4.554 -5.894 3.935 993 HA LEU 134 HA LEU 134 -6.903 -4.284 3.775 994 HB2 LEU 134 2HB LEU 134 -4.632 -3.450 3.220 995 HB3 LEU 134 3HB LEU 134 -4.605 -4.502 1.806 996 HG LEU 134 HG LEU 134 -6.583 -3.319 0.893 997 HD11 LEU 134 1HD1 LEU 134 -6.392 -1.901 3.534 998 HD12 LEU 134 2HD1 LEU 134 -7.819 -2.466 2.665 999 HD13 LEU 134 3HD1 LEU 134 -6.985 -1.010 2.135 1000 HD21 LEU 134 3HD2 LEU 134 -4.280 -2.559 0.333 1001 HD22 LEU 134 1HD2 LEU 134 -4.344 -1.431 1.689 1002 HD23 LEU 134 2HD2 LEU 134 -5.440 -1.232 0.321 1003 H THR 135 H THR 135 -5.608 -6.800 1.643 1004 HA THR 135 HA THR 135 -7.554 -6.571 -0.430 1005 HB THR 135 HB THR 135 -6.021 -9.006 0.527 1006 HG1 THR 135 HG1 THR 135 -5.202 -6.792 -0.581 1007 HG21 THR 135 3HG2 THR 135 -7.594 -8.450 -1.996 1008 HG22 THR 135 1HG2 THR 135 -7.832 -9.762 -0.842 1009 HG23 THR 135 2HG2 THR 135 -6.401 -9.744 -1.871 1010 H GLU 136 H GLU 136 -7.466 -8.610 2.485 1011 HA GLU 136 HA GLU 136 -9.970 -9.927 1.973 1012 HB2 GLU 136 2HB GLU 136 -8.208 -10.730 3.580 1013 HB3 GLU 136 3HB GLU 136 -8.658 -9.408 4.655 1014 HG2 GLU 136 2HG GLU 136 -9.835 -11.402 5.371 1015 HG3 GLU 136 3HG GLU 136 -11.010 -10.293 4.667 1016 H VAL 137 H VAL 137 -9.110 -7.042 3.884 1017 HA VAL 137 HA VAL 137 -11.759 -6.557 4.890 1018 HB VAL 137 HB VAL 137 -9.435 -4.672 4.397 1019 HG11 VAL 137 1HG1 VAL 137 -12.123 -4.244 5.717 1020 HG12 VAL 137 2HG1 VAL 137 -11.372 -3.284 4.442 1021 HG13 VAL 137 3HG1 VAL 137 -10.728 -3.229 6.084 1022 HG21 VAL 137 3HG2 VAL 137 -8.902 -4.983 6.680 1023 HG22 VAL 137 1HG2 VAL 137 -9.306 -6.607 6.126 1024 HG23 VAL 137 2HG2 VAL 137 -10.481 -5.672 7.050 1025 H ALA 138 H ALA 138 -10.023 -5.371 2.028 1026 HA ALA 138 HA ALA 138 -12.129 -3.668 1.077 1027 HB1 ALA 138 3HB ALA 138 -9.645 -3.750 0.358 1028 HB2 ALA 138 1HB ALA 138 -10.846 -3.468 -0.901 1029 HB3 ALA 138 2HB ALA 138 -10.134 -5.070 -0.704 1030 H ALA 139 H ALA 139 -11.365 -7.077 0.570 1031 HA ALA 139 HA ALA 139 -13.769 -7.375 -1.178 1032 HB1 ALA 139 3HB ALA 139 -12.832 -9.542 -1.783 1033 HB2 ALA 139 1HB ALA 139 -11.577 -9.377 -0.554 1034 HB3 ALA 139 2HB ALA 139 -11.583 -8.309 -1.957 1035 H GLY 140 H GLY 140 -13.652 -7.042 1.861 1036 HA2 GLY 140 2HA GLY 140 -15.810 -8.744 2.541 1037 HA3 GLY 140 3HA GLY 140 -14.327 -9.511 3.113 1038 H ARG 141 H ARG 141 -14.694 -9.186 5.314 1039 HA ARG 141 HA ARG 141 -13.902 -6.649 6.408 1040 HB2 ARG 141 2HB ARG 141 -16.238 -6.054 5.780 1041 HB3 ARG 141 3HB ARG 141 -16.825 -7.373 6.796 1042 HG2 ARG 141 2HG ARG 141 -15.749 -6.330 8.767 1043 HG3 ARG 141 3HG ARG 141 -15.180 -5.007 7.753 1044 HD2 ARG 141 2HD ARG 141 -18.096 -5.742 8.119 1045 HD3 ARG 141 3HD ARG 141 -17.274 -4.468 9.018 1046 HE ARG 141 HE ARG 141 -18.204 -4.288 6.278 1047 HH11 ARG 141 1HH2 ARG 141 -15.772 -3.267 8.524 1048 HH12 ARG 141 2HH2 ARG 141 -15.465 -1.775 7.699 1049 HH21 ARG 141 1HH1 ARG 141 -17.809 -2.350 5.215 1050 HH22 ARG 141 2HH1 ARG 141 -16.614 -1.257 5.831 1051 H ASP 142 H ASP 142 -12.475 -8.128 7.492 1052 HA ASP 142 HA ASP 142 -13.416 -8.993 10.066 1053 HB2 ASP 142 2HB ASP 142 -14.414 -10.842 8.835 1054 HB3 ASP 142 3HB ASP 142 -12.888 -11.164 8.011 1055 HA PRO 143 HA PRO 143 -8.785 -8.553 9.244 1056 HB2 PRO 143 2HB PRO 143 -8.368 -6.155 10.456 1057 HB3 PRO 143 3HB PRO 143 -8.867 -6.285 8.760 1058 HG2 PRO 143 2HG PRO 143 -10.526 -5.698 11.177 1059 HG3 PRO 143 3HG PRO 143 -10.574 -4.947 9.571 1060 HD2 PRO 143 2HD PRO 143 -12.358 -6.883 10.357 1061 HD3 PRO 143 3HD PRO 143 -11.865 -6.652 8.664 1062 H GLY 144 H GLY 144 -7.134 -8.837 10.828 1063 HA2 GLY 144 2HA GLY 144 -7.518 -8.501 13.644 1064 HA3 GLY 144 3HA GLY 144 -7.830 -10.181 13.203 1065 HA PRO 145 HA PRO 145 -3.266 -9.592 11.870 1066 HB2 PRO 145 2HB PRO 145 -2.134 -7.086 12.110 1067 HB3 PRO 145 3HB PRO 145 -2.944 -7.658 10.639 1068 HG2 PRO 145 2HG PRO 145 -3.949 -5.835 12.767 1069 HG3 PRO 145 3HG PRO 145 -4.252 -5.810 11.021 1070 HD2 PRO 145 2HD PRO 145 -6.064 -6.777 12.878 1071 HD3 PRO 145 3HD PRO 145 -6.021 -7.287 11.178 1072 H ASP 146 H ASP 146 -2.987 -6.810 14.030 1073 HA ASP 146 HA ASP 146 -2.460 -8.490 16.388 1074 HB2 ASP 146 2HB ASP 146 -0.275 -6.867 15.050 1075 HB3 ASP 146 3HB ASP 146 -0.163 -7.504 16.691 1076 HA PRO 147 HA PRO 147 -4.041 -4.017 16.861 1077 HB2 PRO 147 2HB PRO 147 -6.397 -4.740 18.167 1078 HB3 PRO 147 3HB PRO 147 -6.263 -4.426 16.426 1079 HG2 PRO 147 2HG PRO 147 -6.293 -7.030 17.881 1080 HG3 PRO 147 3HG PRO 147 -7.027 -6.596 16.327 1081 HD2 PRO 147 2HD PRO 147 -4.724 -8.028 16.477 1082 HD3 PRO 147 3HD PRO 147 -5.038 -6.888 15.150 1083 H PHE 148 H PHE 148 -3.894 -2.841 18.775 1084 HA PHE 148 HA PHE 148 -3.024 -4.368 21.198 1085 HB2 PHE 148 2HB PHE 148 -2.551 -1.486 20.371 1086 HB3 PHE 148 3HB PHE 148 -1.977 -2.211 21.874 1087 HD1 PHE 148 HD1 PHE 148 -0.240 -3.957 21.855 1088 HD2 PHE 148 HD2 PHE 148 -1.532 -2.050 18.228 1089 HE1 PHE 148 HE1 PHE 148 1.753 -4.847 20.677 1090 HE2 PHE 148 HE2 PHE 148 0.461 -2.940 17.051 1091 HZ PHE 148 HZ PHE 148 2.104 -4.338 18.275 1092 H TYR 149 H TYR 149 -5.812 -3.477 20.108 1093 HA TYR 149 HA TYR 149 -7.836 -2.727 21.022 1094 HB2 TYR 149 2HB TYR 149 -6.358 -3.414 23.581 1095 HB3 TYR 149 3HB TYR 149 -8.089 -3.099 23.475 1096 HD1 TYR 149 HD2 TYR 149 -5.368 -5.410 22.546 1097 HD2 TYR 149 HD1 TYR 149 -9.600 -4.690 22.448 1098 HE1 TYR 149 HE2 TYR 149 -5.752 -7.768 21.884 1099 HE2 TYR 149 HE1 TYR 149 -9.987 -7.048 21.786 1100 HH TYR 149 HH TYR 149 -8.838 -8.891 20.800 1101 H GLY 150 H GLY 150 -6.390 -1.662 23.959 1102 HA2 GLY 150 2HA GLY 150 -6.240 0.464 24.915 1103 HA3 GLY 150 3HA GLY 150 -5.601 0.979 23.354 1104 H ARG 151 H ARG 151 -8.603 0.445 25.157 1105 HA ARG 151 HA ARG 151 -10.328 1.622 23.166 1106 HB2 ARG 151 2HB ARG 151 -10.708 1.185 26.141 1107 HB3 ARG 151 3HB ARG 151 -11.984 1.729 25.051 1108 HG2 ARG 151 2HG ARG 151 -11.723 -0.320 23.709 1109 HG3 ARG 151 3HG ARG 151 -10.432 -0.864 24.780 1110 HD2 ARG 151 2HD ARG 151 -13.265 -0.279 25.698 1111 HD3 ARG 151 3HD ARG 151 -12.660 -1.890 25.311 1112 HE ARG 151 HE ARG 151 -10.872 -0.782 27.190 1113 HH11 ARG 151 1HH2 ARG 151 -14.203 -1.683 26.947 1114 HH12 ARG 151 2HH2 ARG 151 -14.343 -2.088 28.625 1115 HH21 ARG 151 1HH1 ARG 151 -11.052 -1.309 29.369 1116 HH22 ARG 151 2HH1 ARG 151 -12.564 -1.877 29.993 1117 H ARG 152 H ARG 152 -10.962 3.723 22.903 1118 HA ARG 152 HA ARG 152 -9.562 5.783 24.555 1119 HB2 ARG 152 2HB ARG 152 -10.806 5.945 21.795 1120 HB3 ARG 152 3HB ARG 152 -10.061 7.301 22.643 1121 HG2 ARG 152 2HG ARG 152 -7.925 6.091 22.742 1122 HG3 ARG 152 3HG ARG 152 -8.661 4.704 21.943 1123 HD2 ARG 152 2HD ARG 152 -7.452 6.000 20.280 1124 HD3 ARG 152 3HD ARG 152 -9.180 6.176 19.980 1125 HE ARG 152 HE ARG 152 -8.286 8.289 21.700 1126 HH11 ARG 152 1HH2 ARG 152 -8.123 7.125 18.453 1127 HH12 ARG 152 2HH2 ARG 152 -7.920 8.700 17.763 1128 HH21 ARG 152 1HH1 ARG 152 -8.016 10.342 20.811 1129 HH22 ARG 152 2HH1 ARG 152 -7.858 10.518 19.095 1130 H LEU 153 H LEU 153 -10.711 7.331 25.620 1131 HA LEU 153 HA LEU 153 -13.564 6.819 26.048 1132 HB2 LEU 153 2HB LEU 153 -13.363 8.589 27.753 1133 HB3 LEU 153 3HB LEU 153 -12.119 7.358 27.941 1134 HG LEU 153 HG LEU 153 -10.862 9.160 26.231 1135 HD11 LEU 153 1HD1 LEU 153 -12.243 10.863 28.313 1136 HD12 LEU 153 2HD1 LEU 153 -12.876 10.698 26.677 1137 HD13 LEU 153 3HD1 LEU 153 -11.275 11.391 26.936 1138 HD21 LEU 153 3HD2 LEU 153 -9.704 9.962 28.361 1139 HD22 LEU 153 1HD2 LEU 153 -9.726 8.215 28.118 1140 HD23 LEU 153 2HD2 LEU 153 -10.848 8.962 29.255 1141 H GLU 154 H GLU 154 -15.192 7.933 25.144 1142 HA GLU 154 HA GLU 154 -14.691 10.610 23.969 1143 HB2 GLU 154 2HB GLU 154 -14.352 8.963 22.137 1144 HB3 GLU 154 3HB GLU 154 -15.977 8.336 22.425 1145 HG2 GLU 154 2HG GLU 154 -16.933 10.549 21.932 1146 HG3 GLU 154 3HG GLU 154 -15.314 11.201 21.683 1147 H HIS 155 H HIS 155 -16.217 11.880 24.813 1148 HA HIS 155 HA HIS 155 -18.709 10.708 25.880 1149 HB2 HIS 155 2HB HIS 155 -19.055 12.921 26.871 1150 HB3 HIS 155 3HB HIS 155 -17.418 12.360 27.210 1151 HD1 HIS 155 HD1 HIS 155 -15.473 13.424 25.722 1152 HD2 HIS 155 HD2 HIS 155 -19.188 15.283 25.372 1153 HE1 HIS 155 HE1 HIS 155 -15.052 15.670 24.629 1154 H HIS 156 H HIS 156 -20.367 10.485 24.513 1155 HA HIS 156 HA HIS 156 -20.626 12.285 22.170 1156 HB2 HIS 156 2HB HIS 156 -22.502 10.666 21.587 1157 HB3 HIS 156 3HB HIS 156 -20.884 9.967 21.637 1158 HD1 HIS 156 HD1 HIS 156 -24.169 9.969 23.434 1159 HD2 HIS 156 HD2 HIS 156 -20.412 8.209 23.847 1160 HE1 HIS 156 HE1 HIS 156 -24.417 8.151 25.181 1161 H HIS 157 H HIS 157 -21.827 14.054 22.387 1162 HA HIS 157 HA HIS 157 -23.311 15.601 23.348 1163 HB2 HIS 157 2HB HIS 157 -25.051 13.148 22.975 1164 HB3 HIS 157 3HB HIS 157 -25.674 14.765 23.307 1165 HD1 HIS 157 HD1 HIS 157 -23.831 12.794 20.667 1166 HD2 HIS 157 HD2 HIS 157 -25.592 16.546 21.115 1167 HE1 HIS 157 HE1 HIS 157 -23.880 13.844 18.363 1168 H HIS 158 H HIS 158 -22.289 15.747 25.421 1169 HA HIS 158 HA HIS 158 -23.656 14.221 27.614 1170 HB2 HIS 158 2HB HIS 158 -21.172 13.896 27.372 1171 HB3 HIS 158 3HB HIS 158 -20.969 15.615 27.722 1172 HD1 HIS 158 HD1 HIS 158 -21.688 16.437 30.121 1173 HD2 HIS 158 HD2 HIS 158 -21.795 12.302 29.611 1174 HE1 HIS 158 HE1 HIS 158 -21.871 15.434 32.440 1175 H HIS 159 H HIS 159 -25.031 15.398 28.774 1176 HA HIS 159 HA HIS 159 -24.761 18.380 28.799 1177 HB2 HIS 159 2HB HIS 159 -27.151 16.583 29.295 1178 HB3 HIS 159 3HB HIS 159 -27.170 18.340 29.452 1179 HD1 HIS 159 HD1 HIS 159 -26.565 19.705 27.210 1180 HD2 HIS 159 HD2 HIS 159 -27.458 15.669 26.675 1181 HE1 HIS 159 HE1 HIS 159 -27.044 19.399 24.742 1182 H HIS 160 H HIS 160 -24.354 19.376 30.692 1183 HA HIS 160 HA HIS 160 -23.503 17.963 33.000 1184 HB2 HIS 160 2HB HIS 160 -23.757 20.235 34.134 1185 HB3 HIS 160 3HB HIS 160 -22.734 20.205 32.701 1186 HD1 HIS 160 HD1 HIS 160 -25.942 21.576 34.016 1187 HD2 HIS 160 HD2 HIS 160 -23.908 21.462 30.378 1188 HE1 HIS 160 HE1 HIS 160 -27.069 23.273 32.512 Start of MODEL 17 1 H1 MET 1 1H MET 1 14.264 19.366 8.623 2 H2 MET 1 2H MET 1 14.220 21.003 9.072 3 H3 MET 1 3H MET 1 14.734 19.827 10.185 4 HA MET 1 HA MET 1 16.469 21.278 8.917 5 HB2 MET 1 2HB MET 1 18.010 19.250 8.955 6 HB3 MET 1 3HB MET 1 17.155 19.566 10.464 7 HG2 MET 1 2HG MET 1 15.498 17.865 9.940 8 HG3 MET 1 3HG MET 1 16.210 17.615 8.347 9 HE1 MET 1 3HE MET 1 18.377 18.051 11.867 10 HE2 MET 1 1HE MET 1 17.746 16.511 12.464 11 HE3 MET 1 2HE MET 1 16.639 17.792 11.982 12 H GLU 2 H GLU 2 14.397 19.140 7.265 13 HA GLU 2 HA GLU 2 14.213 18.501 5.025 14 HB2 GLU 2 2HB GLU 2 14.050 20.953 4.755 15 HB3 GLU 2 3HB GLU 2 15.804 21.052 4.614 16 HG2 GLU 2 2HG GLU 2 15.758 19.659 2.601 17 HG3 GLU 2 3HG GLU 2 14.018 19.432 2.772 18 H LYS 3 H LYS 3 17.258 20.080 4.391 19 HA LYS 3 HA LYS 3 19.249 19.244 3.525 20 HB2 LYS 3 2HB LYS 3 18.567 17.258 5.693 21 HB3 LYS 3 3HB LYS 3 20.041 17.104 4.740 22 HG2 LYS 3 2HG LYS 3 19.384 19.771 5.984 23 HG3 LYS 3 3HG LYS 3 20.042 18.498 7.006 24 HD2 LYS 3 2HD LYS 3 21.402 19.105 4.382 25 HD3 LYS 3 3HD LYS 3 21.669 20.177 5.752 26 HE2 LYS 3 2HE LYS 3 22.380 18.245 7.122 27 HE3 LYS 3 3HE LYS 3 22.135 17.179 5.740 28 HZ1 LYS 3 3HZ LYS 3 23.693 19.186 4.764 29 HZ2 LYS 3 1HZ LYS 3 24.225 17.640 5.214 30 HZ3 LYS 3 2HZ LYS 3 24.319 18.925 6.322 31 H ALA 4 H ALA 4 20.274 17.071 2.680 32 HA ALA 4 HA ALA 4 18.553 16.188 0.522 33 HB1 ALA 4 3HB ALA 4 21.348 15.419 1.387 34 HB2 ALA 4 1HB ALA 4 20.886 16.466 0.043 35 HB3 ALA 4 2HB ALA 4 20.554 14.734 -0.032 36 H MET 5 H MET 5 17.875 14.021 0.130 37 HA MET 5 HA MET 5 18.113 12.069 2.350 38 HB2 MET 5 2HB MET 5 15.576 11.679 2.126 39 HB3 MET 5 3HB MET 5 16.081 13.117 3.012 40 HG2 MET 5 2HG MET 5 15.542 13.259 0.046 41 HG3 MET 5 3HG MET 5 14.222 13.372 1.207 42 HE1 MET 5 3HE MET 5 13.742 15.449 -0.034 43 HE2 MET 5 1HE MET 5 14.209 17.012 0.647 44 HE3 MET 5 2HE MET 5 13.375 15.825 1.647 45 HA PRO 6 HA PRO 6 18.615 10.423 -2.017 46 HB2 PRO 6 2HB PRO 6 20.467 8.672 -0.439 47 HB3 PRO 6 3HB PRO 6 20.726 9.462 -2.009 48 HG2 PRO 6 2HG PRO 6 21.876 10.396 0.196 49 HG3 PRO 6 3HG PRO 6 21.249 11.498 -1.045 50 HD2 PRO 6 2HD PRO 6 20.061 10.797 1.622 51 HD3 PRO 6 3HD PRO 6 20.058 12.353 0.761 52 H GLU 7 H GLU 7 19.106 7.658 -2.116 53 HA GLU 7 HA GLU 7 16.915 6.410 -0.520 54 HB2 GLU 7 2HB GLU 7 17.226 6.305 -3.529 55 HB3 GLU 7 3HB GLU 7 16.187 5.216 -2.614 56 HG2 GLU 7 2HG GLU 7 14.914 7.113 -1.739 57 HG3 GLU 7 3HG GLU 7 15.985 8.240 -2.569 58 H SER 8 H SER 8 17.050 4.042 -0.529 59 HA SER 8 HA SER 8 19.600 2.872 -1.452 60 HB2 SER 8 2HB SER 8 19.913 3.838 0.906 61 HB3 SER 8 3HB SER 8 18.802 2.585 1.451 62 HG SER 8 HG SER 8 20.809 1.700 1.581 63 H PHE 9 H PHE 9 19.078 1.006 -2.360 64 HA PHE 9 HA PHE 9 17.949 -0.950 -2.908 65 HB2 PHE 9 2HB PHE 9 17.453 -0.876 0.077 66 HB3 PHE 9 3HB PHE 9 17.014 -2.239 -0.952 67 HD1 PHE 9 HD1 PHE 9 18.751 -3.540 -2.140 68 HD2 PHE 9 HD2 PHE 9 19.765 -0.392 0.601 69 HE1 PHE 9 HE1 PHE 9 21.083 -4.377 -2.042 70 HE2 PHE 9 HE2 PHE 9 22.099 -1.229 0.699 71 HZ PHE 9 HZ PHE 9 22.757 -3.223 -0.621 72 H VAL 10 H VAL 10 15.895 -1.700 -3.520 73 HA VAL 10 HA VAL 10 13.560 -0.011 -2.706 74 HB VAL 10 HB VAL 10 14.374 -0.828 -5.510 75 HG11 VAL 10 1HG1 VAL 10 11.781 0.272 -4.410 76 HG12 VAL 10 2HG1 VAL 10 12.014 -1.156 -5.418 77 HG13 VAL 10 3HG1 VAL 10 12.232 0.454 -6.105 78 HG21 VAL 10 3HG2 VAL 10 14.073 1.803 -4.045 79 HG22 VAL 10 1HG2 VAL 10 14.095 1.711 -5.804 80 HG23 VAL 10 2HG2 VAL 10 15.496 1.178 -4.876 81 H VAL 11 H VAL 11 11.750 -1.126 -2.283 82 HA VAL 11 HA VAL 11 11.744 -4.078 -2.824 83 HB VAL 11 HB VAL 11 10.569 -2.446 -0.557 84 HG11 VAL 11 1HG1 VAL 11 10.037 -5.298 -1.423 85 HG12 VAL 11 2HG1 VAL 11 8.859 -4.032 -1.077 86 HG13 VAL 11 3HG1 VAL 11 9.781 -4.762 0.236 87 HG21 VAL 11 3HG2 VAL 11 12.587 -4.705 -0.732 88 HG22 VAL 11 1HG2 VAL 11 11.936 -4.079 0.783 89 HG23 VAL 11 2HG2 VAL 11 12.904 -3.036 -0.260 90 H ARG 12 H ARG 12 10.103 -4.821 -4.054 91 HA ARG 12 HA ARG 12 7.838 -2.949 -4.679 92 HB2 ARG 12 2HB ARG 12 9.244 -4.995 -6.409 93 HB3 ARG 12 3HB ARG 12 7.736 -4.195 -6.862 94 HG2 ARG 12 2HG ARG 12 8.826 -2.000 -6.680 95 HG3 ARG 12 3HG ARG 12 10.332 -2.780 -6.190 96 HD2 ARG 12 2HD ARG 12 10.431 -3.966 -8.347 97 HD3 ARG 12 3HD ARG 12 8.918 -3.207 -8.838 98 HE ARG 12 HE ARG 12 10.663 -1.112 -8.145 99 HH11 ARG 12 1HH2 ARG 12 10.466 -3.725 -10.389 100 HH12 ARG 12 2HH2 ARG 12 11.379 -2.910 -11.616 101 HH21 ARG 12 1HH1 ARG 12 11.852 -0.041 -9.731 102 HH22 ARG 12 2HH1 ARG 12 12.163 -0.826 -11.243 103 H ARG 13 H ARG 13 5.827 -3.707 -4.364 104 HA ARG 13 HA ARG 13 5.412 -6.632 -3.991 105 HB2 ARG 13 2HB ARG 13 5.431 -4.733 -1.876 106 HB3 ARG 13 3HB ARG 13 3.730 -5.039 -2.183 107 HG2 ARG 13 2HG ARG 13 4.307 -6.688 -0.612 108 HG3 ARG 13 3HG ARG 13 4.382 -7.557 -2.142 109 HD2 ARG 13 2HD ARG 13 6.838 -7.107 -2.228 110 HD3 ARG 13 3HD ARG 13 6.724 -6.344 -0.647 111 HE ARG 13 HE ARG 13 6.563 -9.228 -1.201 112 HH11 ARG 13 1HH2 ARG 13 6.000 -6.598 0.970 113 HH12 ARG 13 2HH2 ARG 13 6.000 -7.600 2.381 114 HH21 ARG 13 1HH1 ARG 13 6.566 -10.532 0.621 115 HH22 ARG 13 2HH1 ARG 13 6.319 -9.828 2.185 116 H GLU 14 H GLU 14 3.261 -7.302 -4.490 117 HA GLU 14 HA GLU 14 1.474 -5.232 -5.671 118 HB2 GLU 14 2HB GLU 14 2.465 -7.725 -7.093 119 HB3 GLU 14 3HB GLU 14 1.138 -6.714 -7.663 120 HG2 GLU 14 2HG GLU 14 2.963 -5.828 -8.837 121 HG3 GLU 14 3HG GLU 14 2.869 -4.747 -7.452 122 H ALA 15 H ALA 15 -0.691 -5.783 -5.636 123 HA ALA 15 HA ALA 15 -1.517 -8.454 -4.716 124 HB1 ALA 15 3HB ALA 15 -2.628 -7.690 -2.722 125 HB2 ALA 15 1HB ALA 15 -2.271 -6.003 -3.098 126 HB3 ALA 15 2HB ALA 15 -0.968 -7.100 -2.636 127 H HIS 16 H HIS 16 -3.700 -8.854 -5.205 128 HA HIS 16 HA HIS 16 -4.992 -6.800 -6.954 129 HB2 HIS 16 2HB HIS 16 -5.351 -9.799 -6.721 130 HB3 HIS 16 3HB HIS 16 -6.336 -8.764 -7.757 131 HD1 HIS 16 HD1 HIS 16 -2.766 -9.941 -7.302 132 HD2 HIS 16 HD2 HIS 16 -5.082 -7.939 -10.130 133 HE1 HIS 16 HE1 HIS 16 -1.338 -9.740 -9.384 134 H LEU 17 H LEU 17 -6.631 -5.697 -6.063 135 HA LEU 17 HA LEU 17 -8.160 -6.936 -3.801 136 HB2 LEU 17 2HB LEU 17 -7.690 -4.023 -4.506 137 HB3 LEU 17 3HB LEU 17 -8.727 -4.588 -3.202 138 HG LEU 17 HG LEU 17 -6.571 -5.929 -2.441 139 HD11 LEU 17 1HD1 LEU 17 -5.080 -5.468 -4.252 140 HD12 LEU 17 2HD1 LEU 17 -4.519 -4.491 -2.904 141 HD13 LEU 17 3HD1 LEU 17 -5.434 -3.743 -4.206 142 HD21 LEU 17 3HD2 LEU 17 -6.827 -2.927 -2.090 143 HD22 LEU 17 1HD2 LEU 17 -5.900 -4.007 -1.046 144 HD23 LEU 17 2HD2 LEU 17 -7.655 -4.154 -1.131 145 H ALA 18 H ALA 18 -10.233 -7.374 -4.149 146 HA ALA 18 HA ALA 18 -11.441 -6.754 -6.732 147 HB1 ALA 18 3HB ALA 18 -13.427 -7.964 -5.645 148 HB2 ALA 18 1HB ALA 18 -12.353 -8.247 -4.274 149 HB3 ALA 18 2HB ALA 18 -11.948 -8.902 -5.857 150 H ALA 19 H ALA 19 -11.275 -4.355 -6.309 151 HA ALA 19 HA ALA 19 -13.836 -3.303 -5.640 152 HB1 ALA 19 3HB ALA 19 -11.773 -3.337 -3.473 153 HB2 ALA 19 1HB ALA 19 -13.530 -3.390 -3.343 154 HB3 ALA 19 2HB ALA 19 -12.716 -1.857 -3.645 155 HA PRO 20 HA PRO 20 -12.206 -0.027 -8.110 156 HB2 PRO 20 2HB PRO 20 -13.541 2.175 -7.025 157 HB3 PRO 20 3HB PRO 20 -14.252 1.030 -8.177 158 HG2 PRO 20 2HG PRO 20 -14.529 1.145 -5.207 159 HG3 PRO 20 3HG PRO 20 -15.740 0.748 -6.443 160 HD2 PRO 20 2HD PRO 20 -14.530 -1.171 -4.956 161 HD3 PRO 20 3HD PRO 20 -15.010 -1.455 -6.643 162 HA PRO 21 HA PRO 21 -8.793 1.908 -6.041 163 HB2 PRO 21 2HB PRO 21 -8.590 4.311 -7.420 164 HB3 PRO 21 3HB PRO 21 -8.015 2.752 -8.044 165 HG2 PRO 21 2HG PRO 21 -10.550 4.211 -8.644 166 HG3 PRO 21 3HG PRO 21 -9.497 3.285 -9.730 167 HD2 PRO 21 2HD PRO 21 -11.831 2.269 -8.763 168 HD3 PRO 21 3HD PRO 21 -10.417 1.241 -9.096 169 H ALA 22 H ALA 22 -11.753 3.778 -6.377 170 HA ALA 22 HA ALA 22 -11.102 5.864 -4.512 171 HB1 ALA 22 3HB ALA 22 -12.992 5.989 -6.120 172 HB2 ALA 22 1HB ALA 22 -13.520 6.277 -4.463 173 HB3 ALA 22 2HB ALA 22 -13.815 4.713 -5.223 174 H ALA 23 H ALA 23 -12.612 2.676 -4.156 175 HA ALA 23 HA ALA 23 -13.340 2.922 -1.400 176 HB1 ALA 23 3HB ALA 23 -12.599 0.505 -3.071 177 HB2 ALA 23 1HB ALA 23 -14.225 1.101 -2.732 178 HB3 ALA 23 2HB ALA 23 -13.253 0.403 -1.438 179 H VAL 24 H VAL 24 -10.420 1.619 -2.965 180 HA VAL 24 HA VAL 24 -9.037 0.910 -0.564 181 HB VAL 24 HB VAL 24 -8.002 1.735 -3.290 182 HG11 VAL 24 1HG1 VAL 24 -6.614 0.592 -0.863 183 HG12 VAL 24 2HG1 VAL 24 -6.169 2.012 -1.810 184 HG13 VAL 24 3HG1 VAL 24 -5.959 0.398 -2.487 185 HG21 VAL 24 3HG2 VAL 24 -7.680 -0.753 -3.516 186 HG22 VAL 24 1HG2 VAL 24 -9.369 -0.262 -3.404 187 HG23 VAL 24 2HG2 VAL 24 -8.558 -0.954 -2.000 188 H PHE 25 H PHE 25 -8.958 3.844 -2.562 189 HA PHE 25 HA PHE 25 -7.046 5.275 -1.009 190 HB2 PHE 25 2HB PHE 25 -7.737 5.936 -3.288 191 HB3 PHE 25 3HB PHE 25 -9.336 6.355 -2.672 192 HD1 PHE 25 HD1 PHE 25 -5.703 7.113 -2.231 193 HD2 PHE 25 HD2 PHE 25 -9.743 8.493 -1.753 194 HE1 PHE 25 HE1 PHE 25 -4.862 9.353 -1.583 195 HE2 PHE 25 HE2 PHE 25 -8.901 10.733 -1.105 196 HZ PHE 25 HZ PHE 25 -6.459 11.163 -1.019 197 H ALA 26 H ALA 26 -10.608 5.201 -0.853 198 HA ALA 26 HA ALA 26 -10.986 7.156 1.149 199 HB1 ALA 26 3HB ALA 26 -12.879 6.176 -0.021 200 HB2 ALA 26 1HB ALA 26 -13.068 5.865 1.705 201 HB3 ALA 26 2HB ALA 26 -12.503 4.581 0.634 202 H LEU 27 H LEU 27 -10.157 3.724 1.444 203 HA LEU 27 HA LEU 27 -10.344 3.550 4.294 204 HB2 LEU 27 2HB LEU 27 -8.687 2.030 2.272 205 HB3 LEU 27 3HB LEU 27 -8.740 1.604 3.978 206 HG LEU 27 HG LEU 27 -11.199 1.828 2.214 207 HD11 LEU 27 1HD1 LEU 27 -11.180 -0.581 2.025 208 HD12 LEU 27 2HD1 LEU 27 -9.790 -0.706 3.104 209 HD13 LEU 27 3HD1 LEU 27 -9.602 0.009 1.504 210 HD21 LEU 27 3HD2 LEU 27 -11.985 0.228 4.205 211 HD22 LEU 27 1HD2 LEU 27 -12.021 1.976 4.387 212 HD23 LEU 27 2HD2 LEU 27 -10.696 1.046 5.077 213 H MET 28 H MET 28 -7.654 4.403 2.140 214 HA MET 28 HA MET 28 -5.835 4.813 4.414 215 HB2 MET 28 2HB MET 28 -5.557 5.322 1.440 216 HB3 MET 28 3HB MET 28 -4.263 5.572 2.613 217 HG2 MET 28 2HG MET 28 -4.488 3.177 3.299 218 HG3 MET 28 3HG MET 28 -5.672 2.955 2.013 219 HE1 MET 28 3HE MET 28 -4.034 3.086 -1.187 220 HE2 MET 28 1HE MET 28 -4.192 4.747 -0.602 221 HE3 MET 28 2HE MET 28 -5.425 3.553 -0.214 222 H THR 29 H THR 29 -8.268 6.636 2.950 223 HA THR 29 HA THR 29 -6.937 9.232 3.631 224 HB THR 29 HB THR 29 -9.538 8.940 2.126 225 HG1 THR 29 HG1 THR 29 -8.446 8.068 0.582 226 HG21 THR 29 3HG2 THR 29 -7.340 11.003 1.873 227 HG22 THR 29 1HG2 THR 29 -8.665 11.171 3.026 228 HG23 THR 29 2HG2 THR 29 -9.002 11.115 1.296 229 H ASP 30 H ASP 30 -7.832 7.613 5.756 230 HA ASP 30 HA ASP 30 -9.499 9.489 7.112 231 HB2 ASP 30 2HB ASP 30 -11.193 8.259 5.641 232 HB3 ASP 30 3HB ASP 30 -10.870 6.847 6.644 233 HA PRO 31 HA PRO 31 -7.292 7.140 10.281 234 HB2 PRO 31 2HB PRO 31 -8.172 8.451 12.492 235 HB3 PRO 31 3HB PRO 31 -7.055 9.207 11.336 236 HG2 PRO 31 2HG PRO 31 -10.025 9.509 11.559 237 HG3 PRO 31 3HG PRO 31 -8.784 10.762 11.351 238 HD2 PRO 31 2HD PRO 31 -10.250 9.807 9.264 239 HD3 PRO 31 3HD PRO 31 -8.566 10.359 9.068 240 H GLU 32 H GLU 32 -10.776 7.672 10.509 241 HA GLU 32 HA GLU 32 -11.288 5.706 12.550 242 HB2 GLU 32 2HB GLU 32 -13.069 6.940 10.433 243 HB3 GLU 32 3HB GLU 32 -13.658 5.895 11.725 244 HG2 GLU 32 2HG GLU 32 -12.801 7.450 13.414 245 HG3 GLU 32 3HG GLU 32 -12.125 8.476 12.149 246 H LYS 33 H LYS 33 -11.408 5.595 8.995 247 HA LYS 33 HA LYS 33 -12.374 2.901 8.811 248 HB2 LYS 33 2HB LYS 33 -10.722 4.543 6.873 249 HB3 LYS 33 3HB LYS 33 -11.491 3.008 6.479 250 HG2 LYS 33 2HG LYS 33 -13.699 3.966 7.059 251 HG3 LYS 33 3HG LYS 33 -12.926 5.510 7.423 252 HD2 LYS 33 2HD LYS 33 -12.136 5.674 5.095 253 HD3 LYS 33 3HD LYS 33 -12.875 4.121 4.728 254 HE2 LYS 33 2HE LYS 33 -14.355 5.933 4.007 255 HE3 LYS 33 3HE LYS 33 -15.094 5.048 5.341 256 HZ1 LYS 33 3HZ LYS 33 -13.493 7.518 5.711 257 HZ2 LYS 33 1HZ LYS 33 -14.465 6.734 6.859 258 HZ3 LYS 33 2HZ LYS 33 -15.183 7.519 5.534 259 H ILE 34 H ILE 34 -9.113 4.284 8.948 260 HA ILE 34 HA ILE 34 -7.675 1.856 8.469 261 HB ILE 34 HB ILE 34 -6.963 4.375 9.998 262 HG12 ILE 34 2HG1 ILE 34 -5.995 3.389 7.301 263 HG13 ILE 34 3HG1 ILE 34 -7.386 4.455 7.489 264 HG21 ILE 34 1HG2 ILE 34 -5.495 2.761 10.909 265 HG22 ILE 34 2HG2 ILE 34 -4.567 3.494 9.600 266 HG23 ILE 34 3HG2 ILE 34 -5.325 1.921 9.370 267 HD11 ILE 34 3HD1 ILE 34 -5.199 5.646 7.028 268 HD12 ILE 34 1HD1 ILE 34 -4.643 5.093 8.607 269 HD13 ILE 34 2HD1 ILE 34 -6.030 6.177 8.490 270 H LEU 35 H LEU 35 -8.789 3.408 11.470 271 HA LEU 35 HA LEU 35 -7.703 1.403 13.232 272 HB2 LEU 35 2HB LEU 35 -9.933 3.420 13.576 273 HB3 LEU 35 3HB LEU 35 -9.316 2.423 14.885 274 HG LEU 35 HG LEU 35 -7.565 4.244 13.207 275 HD11 LEU 35 1HD1 LEU 35 -7.642 5.806 15.138 276 HD12 LEU 35 2HD1 LEU 35 -8.856 4.779 15.903 277 HD13 LEU 35 3HD1 LEU 35 -9.226 5.604 14.388 278 HD21 LEU 35 3HD2 LEU 35 -6.119 2.727 14.257 279 HD22 LEU 35 1HD2 LEU 35 -7.154 2.550 15.672 280 HD23 LEU 35 2HD2 LEU 35 -6.192 4.009 15.459 281 H ARG 36 H ARG 36 -10.155 1.234 10.989 282 HA ARG 36 HA ARG 36 -12.113 -0.334 12.391 283 HB2 ARG 36 2HB ARG 36 -12.384 0.841 10.140 284 HB3 ARG 36 3HB ARG 36 -11.492 -0.508 9.439 285 HG2 ARG 36 2HG ARG 36 -13.160 -2.089 10.328 286 HG3 ARG 36 3HG ARG 36 -14.054 -0.749 11.042 287 HD2 ARG 36 2HD ARG 36 -14.302 0.233 8.748 288 HD3 ARG 36 3HD ARG 36 -13.555 -1.223 8.090 289 HE ARG 36 HE ARG 36 -15.814 -1.845 9.799 290 HH11 ARG 36 1HH2 ARG 36 -14.818 -0.798 6.664 291 HH12 ARG 36 2HH2 ARG 36 -16.236 -1.398 5.872 292 HH21 ARG 36 1HH1 ARG 36 -17.662 -2.629 8.779 293 HH22 ARG 36 2HH1 ARG 36 -17.847 -2.434 7.068 294 H TRP 37 H TRP 37 -9.239 -1.209 10.450 295 HA TRP 37 HA TRP 37 -9.641 -4.072 11.252 296 HB2 TRP 37 2HB TRP 37 -7.739 -4.345 9.449 297 HB3 TRP 37 3HB TRP 37 -9.400 -4.098 8.938 298 HD1 TRP 37 HD1 TRP 37 -10.042 -1.792 7.849 299 HE1 TRP 37 HE1 TRP 37 -8.623 0.127 6.879 300 HE3 TRP 37 HE3 TRP 37 -5.469 -3.014 9.770 301 HZ2 TRP 37 HZ2 TRP 37 -5.911 1.026 6.910 302 HZ3 TRP 37 HZ3 TRP 37 -3.487 -1.608 9.282 303 HH2 TRP 37 HH2 TRP 37 -3.704 0.409 7.857 304 H MET 38 H MET 38 -7.608 -1.319 11.739 305 HA MET 38 HA MET 38 -5.357 -2.905 12.771 306 HB2 MET 38 2HB MET 38 -5.143 -0.635 11.622 307 HB3 MET 38 3HB MET 38 -5.817 0.067 13.091 308 HG2 MET 38 2HG MET 38 -3.438 0.177 13.323 309 HG3 MET 38 3HG MET 38 -3.988 -1.123 14.376 310 HE1 MET 38 3HE MET 38 -1.192 -0.240 12.307 311 HE2 MET 38 1HE MET 38 -2.427 -0.086 11.051 312 HE3 MET 38 2HE MET 38 -1.152 -1.291 10.894 313 H GLY 39 H GLY 39 -7.084 -0.217 14.343 314 HA2 GLY 39 2HA GLY 39 -8.157 -0.163 16.451 315 HA3 GLY 39 3HA GLY 39 -7.840 -1.888 16.631 316 H THR 40 H THR 40 -5.028 -0.363 15.659 317 HA THR 40 HA THR 40 -3.870 -0.614 18.355 318 HB THR 40 HB THR 40 -2.622 0.234 15.722 319 HG1 THR 40 HG1 THR 40 -1.991 -1.865 15.569 320 HG21 THR 40 3HG2 THR 40 -1.257 1.041 17.509 321 HG22 THR 40 1HG2 THR 40 -0.504 -0.453 16.951 322 HG23 THR 40 2HG2 THR 40 -1.464 -0.449 18.430 323 H GLU 41 H GLU 41 -3.319 1.942 15.936 324 HA GLU 41 HA GLU 41 -4.468 4.050 17.514 325 HB2 GLU 41 2HB GLU 41 -2.525 3.552 18.976 326 HB3 GLU 41 3HB GLU 41 -1.440 3.829 17.614 327 HG2 GLU 41 2HG GLU 41 -2.217 6.152 17.436 328 HG3 GLU 41 3HG GLU 41 -3.368 5.882 18.746 329 H ALA 42 H ALA 42 -4.356 6.065 16.412 330 HA ALA 42 HA ALA 42 -2.698 6.328 14.011 331 HB1 ALA 42 3HB ALA 42 -5.708 6.388 13.685 332 HB2 ALA 42 1HB ALA 42 -4.737 4.965 13.316 333 HB3 ALA 42 2HB ALA 42 -4.484 6.460 12.417 334 H GLU 43 H GLU 43 -2.226 8.461 13.743 335 HA GLU 43 HA GLU 43 -3.518 10.403 15.537 336 HB2 GLU 43 2HB GLU 43 -1.020 10.292 15.140 337 HB3 GLU 43 3HB GLU 43 -1.323 10.874 13.505 338 HG2 GLU 43 2HG GLU 43 -0.777 12.789 14.862 339 HG3 GLU 43 3HG GLU 43 -2.500 12.865 14.521 340 H VAL 44 H VAL 44 -4.540 12.319 14.815 341 HA VAL 44 HA VAL 44 -5.401 12.348 11.946 342 HB VAL 44 HB VAL 44 -7.209 11.496 13.420 343 HG11 VAL 44 1HG1 VAL 44 -8.172 12.889 15.138 344 HG12 VAL 44 2HG1 VAL 44 -7.113 14.234 14.714 345 HG13 VAL 44 3HG1 VAL 44 -6.441 12.781 15.453 346 HG21 VAL 44 3HG2 VAL 44 -7.713 14.304 12.392 347 HG22 VAL 44 1HG2 VAL 44 -8.927 13.048 12.643 348 HG23 VAL 44 2HG2 VAL 44 -7.702 12.852 11.391 349 H GLU 45 H GLU 45 -5.500 14.398 11.019 350 HA GLU 45 HA GLU 45 -4.172 16.538 12.587 351 HB2 GLU 45 2HB GLU 45 -4.539 15.922 9.671 352 HB3 GLU 45 3HB GLU 45 -4.271 17.599 10.134 353 HG2 GLU 45 2HG GLU 45 -2.161 16.361 9.587 354 HG3 GLU 45 3HG GLU 45 -2.179 17.037 11.213 355 HA PRO 46 HA PRO 46 -7.917 18.895 13.006 356 HB2 PRO 46 2HB PRO 46 -6.924 21.467 12.910 357 HB3 PRO 46 3HB PRO 46 -6.724 20.398 14.313 358 HG2 PRO 46 2HG PRO 46 -4.789 21.029 12.128 359 HG3 PRO 46 3HG PRO 46 -4.505 20.849 13.871 360 HD2 PRO 46 2HD PRO 46 -3.921 18.867 12.085 361 HD3 PRO 46 3HD PRO 46 -4.419 18.532 13.758 362 H GLU 47 H GLU 47 -5.936 19.163 10.182 363 HA GLU 47 HA GLU 47 -8.142 19.511 8.443 364 HB2 GLU 47 2HB GLU 47 -7.322 21.963 9.665 365 HB3 GLU 47 3HB GLU 47 -6.786 22.050 7.993 366 HG2 GLU 47 2HG GLU 47 -9.607 21.374 8.885 367 HG3 GLU 47 3HG GLU 47 -9.082 22.932 8.247 368 HA PRO 48 HA PRO 48 -3.913 20.282 6.043 369 HB2 PRO 48 2HB PRO 48 -2.113 19.062 8.103 370 HB3 PRO 48 3HB PRO 48 -1.803 20.409 6.989 371 HG2 PRO 48 2HG PRO 48 -2.281 20.839 9.580 372 HG3 PRO 48 3HG PRO 48 -2.884 21.946 8.330 373 HD2 PRO 48 2HD PRO 48 -4.394 19.918 9.932 374 HD3 PRO 48 3HD PRO 48 -4.937 21.490 9.310 375 H GLY 49 H GLY 49 -3.444 18.700 4.572 376 HA2 GLY 49 2HA GLY 49 -4.579 16.101 4.840 377 HA3 GLY 49 3HA GLY 49 -3.476 16.599 3.556 378 H GLY 50 H GLY 50 -3.557 15.512 6.928 379 HA2 GLY 50 2HA GLY 50 -0.964 14.095 6.468 380 HA3 GLY 50 3HA GLY 50 -1.162 15.095 7.902 381 H LEU 51 H LEU 51 -3.549 12.970 6.343 382 HA LEU 51 HA LEU 51 -4.089 11.682 8.945 383 HB2 LEU 51 2HB LEU 51 -5.358 11.239 6.222 384 HB3 LEU 51 3HB LEU 51 -5.966 10.624 7.758 385 HG LEU 51 HG LEU 51 -5.640 13.556 7.050 386 HD11 LEU 51 1HD1 LEU 51 -8.174 13.504 7.163 387 HD12 LEU 51 2HD1 LEU 51 -8.064 11.744 7.175 388 HD13 LEU 51 3HD1 LEU 51 -7.475 12.655 5.785 389 HD21 LEU 51 3HD2 LEU 51 -7.188 13.667 9.188 390 HD22 LEU 51 1HD2 LEU 51 -5.447 13.502 9.383 391 HD23 LEU 51 2HD2 LEU 51 -6.490 12.086 9.541 392 H TYR 52 H TYR 52 -2.009 11.197 6.366 393 HA TYR 52 HA TYR 52 -2.099 8.285 6.263 394 HB2 TYR 52 2HB TYR 52 -0.030 10.281 5.293 395 HB3 TYR 52 3HB TYR 52 0.004 8.553 4.941 396 HD1 TYR 52 HD2 TYR 52 -1.921 7.509 3.679 397 HD2 TYR 52 HD1 TYR 52 -1.450 11.761 4.075 398 HE1 TYR 52 HE2 TYR 52 -3.489 7.858 1.791 399 HE2 TYR 52 HE1 TYR 52 -3.020 12.109 2.186 400 HH TYR 52 HH TYR 52 -4.986 9.625 0.949 401 H LEU 53 H LEU 53 -1.833 9.304 8.944 402 HA LEU 53 HA LEU 53 0.992 8.619 9.655 403 HB2 LEU 53 2HB LEU 53 -1.175 9.908 11.339 404 HB3 LEU 53 3HB LEU 53 0.514 9.690 11.798 405 HG LEU 53 HG LEU 53 -0.439 11.311 9.418 406 HD11 LEU 53 1HD1 LEU 53 0.733 12.273 12.043 407 HD12 LEU 53 2HD1 LEU 53 -0.990 12.295 11.666 408 HD13 LEU 53 3HD1 LEU 53 0.132 13.272 10.719 409 HD21 LEU 53 3HD2 LEU 53 1.739 10.630 8.862 410 HD22 LEU 53 1HD2 LEU 53 2.273 10.620 10.543 411 HD23 LEU 53 2HD2 LEU 53 2.035 12.147 9.696 412 H VAL 54 H VAL 54 1.433 6.759 10.638 413 HA VAL 54 HA VAL 54 -0.746 5.267 12.029 414 HB VAL 54 HB VAL 54 0.161 3.156 10.988 415 HG11 VAL 54 1HG1 VAL 54 -1.886 4.353 10.168 416 HG12 VAL 54 2HG1 VAL 54 -1.057 3.436 8.910 417 HG13 VAL 54 3HG1 VAL 54 -0.872 5.189 8.992 418 HG21 VAL 54 3HG2 VAL 54 1.576 3.308 9.035 419 HG22 VAL 54 1HG2 VAL 54 2.360 4.226 10.318 420 HG23 VAL 54 2HG2 VAL 54 1.485 5.068 9.042 421 H ASN 55 H ASN 55 0.078 3.739 13.593 422 HA ASN 55 HA ASN 55 2.832 4.413 14.560 423 HB2 ASN 55 2HB ASN 55 0.351 3.435 15.992 424 HB3 ASN 55 3HB ASN 55 1.945 3.480 16.750 425 HD21 ASN 55 1HD2 ASN 55 -0.169 5.101 17.771 426 HD22 ASN 55 2HD2 ASN 55 0.190 6.730 17.457 427 H VAL 56 H VAL 56 1.780 2.327 12.525 428 HA VAL 56 HA VAL 56 2.114 -0.282 13.644 429 HB VAL 56 HB VAL 56 1.123 0.086 11.417 430 HG11 VAL 56 1HG1 VAL 56 3.902 0.684 10.389 431 HG12 VAL 56 2HG1 VAL 56 2.815 1.976 10.899 432 HG13 VAL 56 3HG1 VAL 56 2.357 0.911 9.571 433 HG21 VAL 56 3HG2 VAL 56 3.715 -1.468 11.166 434 HG22 VAL 56 1HG2 VAL 56 2.221 -1.738 10.267 435 HG23 VAL 56 2HG2 VAL 56 2.286 -2.083 11.996 436 H THR 57 H THR 57 4.411 1.904 12.042 437 HA THR 57 HA THR 57 6.655 0.407 13.341 438 HB THR 57 HB THR 57 6.907 1.634 10.589 439 HG1 THR 57 HG1 THR 57 6.352 -1.092 11.039 440 HG21 THR 57 3HG2 THR 57 8.802 0.179 10.414 441 HG22 THR 57 1HG2 THR 57 8.326 -0.720 11.856 442 HG23 THR 57 2HG2 THR 57 8.903 0.942 12.002 443 H GLY 58 H GLY 58 5.104 3.361 12.601 444 HA2 GLY 58 2HA GLY 58 5.544 5.510 13.422 445 HA3 GLY 58 3HA GLY 58 6.925 4.841 14.285 446 H ALA 59 H ALA 59 7.890 6.921 13.578 447 HA ALA 59 HA ALA 59 9.357 8.140 12.239 448 HB1 ALA 59 3HB ALA 59 9.785 5.428 10.950 449 HB2 ALA 59 1HB ALA 59 10.659 6.049 12.350 450 HB3 ALA 59 2HB ALA 59 10.843 6.826 10.779 451 H ARG 60 H ARG 60 9.471 6.481 9.384 452 HA ARG 60 HA ARG 60 8.812 7.187 7.238 453 HB2 ARG 60 2HB ARG 60 6.206 6.757 8.713 454 HB3 ARG 60 3HB ARG 60 6.293 7.035 6.973 455 HG2 ARG 60 2HG ARG 60 7.767 5.076 6.727 456 HG3 ARG 60 3HG ARG 60 7.692 4.798 8.467 457 HD2 ARG 60 2HD ARG 60 5.256 4.467 8.324 458 HD3 ARG 60 3HD ARG 60 5.310 4.773 6.587 459 HE ARG 60 HE ARG 60 7.131 2.675 7.121 460 HH11 ARG 60 1HH2 ARG 60 3.754 3.373 7.313 461 HH12 ARG 60 2HH2 ARG 60 3.270 1.729 7.055 462 HH21 ARG 60 1HH1 ARG 60 6.512 0.537 6.784 463 HH22 ARG 60 2HH1 ARG 60 4.830 0.125 6.756 464 H PHE 61 H PHE 61 5.900 8.623 8.409 465 HA PHE 61 HA PHE 61 6.396 11.134 7.153 466 HB2 PHE 61 2HB PHE 61 4.137 10.290 7.668 467 HB3 PHE 61 3HB PHE 61 4.470 10.443 9.392 468 HD1 PHE 61 HD2 PHE 61 4.894 12.711 10.385 469 HD2 PHE 61 HD1 PHE 61 3.536 12.189 6.346 470 HE1 PHE 61 HE2 PHE 61 4.194 15.089 10.314 471 HE2 PHE 61 HE1 PHE 61 2.836 14.566 6.271 472 HZ PHE 61 HZ PHE 61 3.164 16.016 8.256 473 H ALA 62 H ALA 62 6.589 10.139 10.566 474 HA ALA 62 HA ALA 62 7.426 11.299 12.439 475 HB1 ALA 62 3HB ALA 62 9.794 12.114 12.017 476 HB2 ALA 62 1HB ALA 62 9.562 11.666 10.329 477 HB3 ALA 62 2HB ALA 62 9.493 10.431 11.585 478 H ARG 63 H ARG 63 9.065 13.528 10.290 479 HA ARG 63 HA ARG 63 7.058 15.648 10.848 480 HB2 ARG 63 2HB ARG 63 8.698 15.705 12.714 481 HB3 ARG 63 3HB ARG 63 9.998 15.918 11.542 482 HG2 ARG 63 2HG ARG 63 8.990 18.016 10.766 483 HG3 ARG 63 3HG ARG 63 7.639 17.798 11.879 484 HD2 ARG 63 2HD ARG 63 9.278 17.804 13.776 485 HD3 ARG 63 3HD ARG 63 10.554 18.190 12.625 486 HE ARG 63 HE ARG 63 8.409 20.009 13.523 487 HH11 ARG 63 1HH2 ARG 63 10.974 19.311 11.307 488 HH12 ARG 63 2HH2 ARG 63 11.191 20.966 10.848 489 HH21 ARG 63 1HH1 ARG 63 8.694 22.157 12.930 490 HH22 ARG 63 2HH1 ARG 63 9.905 22.575 11.764 491 H GLY 64 H GLY 64 7.024 17.253 9.309 492 HA2 GLY 64 2HA GLY 64 7.363 18.245 7.224 493 HA3 GLY 64 3HA GLY 64 9.076 17.911 7.474 494 H SER 65 H SER 65 6.389 17.184 5.579 495 HA SER 65 HA SER 65 7.911 15.221 4.041 496 HB2 SER 65 2HB SER 65 6.523 13.342 4.343 497 HB3 SER 65 3HB SER 65 6.688 13.977 5.975 498 HG SER 65 HG SER 65 4.685 14.885 5.814 499 H PHE 66 H PHE 66 5.222 14.213 3.039 500 HA PHE 66 HA PHE 66 3.803 14.678 1.268 501 HB2 PHE 66 2HB PHE 66 2.549 16.094 2.679 502 HB3 PHE 66 3HB PHE 66 3.815 17.318 2.739 503 HD1 PHE 66 HD2 PHE 66 1.298 15.708 0.526 504 HD2 PHE 66 HD1 PHE 66 3.970 19.016 1.084 505 HE1 PHE 66 HE2 PHE 66 0.281 16.853 -1.429 506 HE2 PHE 66 HE1 PHE 66 2.961 20.166 -0.873 507 HZ PHE 66 HZ PHE 66 1.117 19.082 -2.130 508 H ARG 67 H ARG 67 4.469 14.699 -0.758 509 HA ARG 67 HA ARG 67 6.062 16.998 -1.787 510 HB2 ARG 67 2HB ARG 67 7.561 15.485 -2.986 511 HB3 ARG 67 3HB ARG 67 7.626 15.115 -1.265 512 HG2 ARG 67 2HG ARG 67 5.975 13.287 -1.630 513 HG3 ARG 67 3HG ARG 67 6.017 13.614 -3.356 514 HD2 ARG 67 2HD ARG 67 7.531 11.784 -2.884 515 HD3 ARG 67 3HD ARG 67 8.473 13.202 -3.343 516 HE ARG 67 HE ARG 67 8.162 13.161 -0.498 517 HH11 ARG 67 1HH2 ARG 67 9.708 11.525 -3.113 518 HH12 ARG 67 2HH2 ARG 67 11.073 11.031 -2.168 519 HH21 ARG 67 1HH1 ARG 67 9.930 12.528 0.743 520 HH22 ARG 67 2HH1 ARG 67 11.199 11.599 0.018 521 H GLU 68 H GLU 68 3.965 14.200 -2.399 522 HA GLU 68 HA GLU 68 2.725 15.684 -4.615 523 HB2 GLU 68 2HB GLU 68 4.670 14.511 -5.678 524 HB3 GLU 68 3HB GLU 68 3.980 12.980 -5.155 525 HG2 GLU 68 2HG GLU 68 1.936 13.430 -6.433 526 HG3 GLU 68 3HG GLU 68 2.580 14.994 -6.934 527 H VAL 69 H VAL 69 0.600 15.292 -4.559 528 HA VAL 69 HA VAL 69 -0.366 12.700 -3.408 529 HB VAL 69 HB VAL 69 -1.391 15.510 -2.923 530 HG11 VAL 69 1HG1 VAL 69 -3.168 14.194 -1.544 531 HG12 VAL 69 2HG1 VAL 69 -2.753 12.834 -2.587 532 HG13 VAL 69 3HG1 VAL 69 -3.393 14.321 -3.285 533 HG21 VAL 69 3HG2 VAL 69 0.455 14.511 -1.486 534 HG22 VAL 69 1HG2 VAL 69 -0.710 13.289 -0.976 535 HG23 VAL 69 2HG2 VAL 69 -0.997 14.987 -0.606 536 H VAL 70 H VAL 70 -1.721 11.634 -4.714 537 HA VAL 70 HA VAL 70 -3.342 13.111 -6.704 538 HB VAL 70 HB VAL 70 -1.764 10.719 -7.644 539 HG11 VAL 70 1HG1 VAL 70 -3.754 11.832 -8.878 540 HG12 VAL 70 2HG1 VAL 70 -2.273 11.574 -9.801 541 HG13 VAL 70 3HG1 VAL 70 -2.652 13.175 -9.170 542 HG21 VAL 70 3HG2 VAL 70 -0.067 12.315 -8.539 543 HG22 VAL 70 1HG2 VAL 70 -0.075 12.267 -6.776 544 HG23 VAL 70 2HG2 VAL 70 -0.838 13.610 -7.626 545 HA PRO 71 HA PRO 71 -5.749 9.871 -4.442 546 HB2 PRO 71 2HB PRO 71 -7.908 11.373 -5.887 547 HB3 PRO 71 3HB PRO 71 -7.851 10.831 -4.197 548 HG2 PRO 71 2HG PRO 71 -7.451 13.374 -4.800 549 HG3 PRO 71 3HG PRO 71 -6.465 12.579 -3.556 550 HD2 PRO 71 2HD PRO 71 -5.721 13.282 -6.380 551 HD3 PRO 71 3HD PRO 71 -4.739 13.349 -4.899 552 H VAL 72 H VAL 72 -6.894 8.041 -5.151 553 HA VAL 72 HA VAL 72 -6.998 6.218 -6.642 554 HB VAL 72 HB VAL 72 -8.776 6.606 -8.338 555 HG11 VAL 72 1HG1 VAL 72 -9.205 6.237 -5.859 556 HG12 VAL 72 2HG1 VAL 72 -10.511 7.036 -6.735 557 HG13 VAL 72 3HG1 VAL 72 -9.421 7.982 -5.720 558 HG21 VAL 72 3HG2 VAL 72 -8.016 8.981 -8.869 559 HG22 VAL 72 1HG2 VAL 72 -8.773 9.475 -7.354 560 HG23 VAL 72 2HG2 VAL 72 -9.752 8.783 -8.643 561 H HIS 73 H HIS 73 -4.590 7.470 -7.078 562 HA HIS 73 HA HIS 73 -4.100 6.776 -9.870 563 HB2 HIS 73 2HB HIS 73 -4.852 9.268 -9.801 564 HB3 HIS 73 3HB HIS 73 -3.296 9.569 -9.035 565 HD1 HIS 73 HD1 HIS 73 -2.673 6.828 -11.173 566 HD2 HIS 73 HD2 HIS 73 -3.194 10.909 -11.848 567 HE1 HIS 73 HE1 HIS 73 -1.685 7.309 -13.454 568 H ARG 74 H ARG 74 -2.398 8.926 -7.588 569 HA ARG 74 HA ARG 74 -0.416 6.793 -7.031 570 HB2 ARG 74 2HB ARG 74 0.243 9.442 -8.338 571 HB3 ARG 74 3HB ARG 74 1.446 8.401 -7.577 572 HG2 ARG 74 2HG ARG 74 0.713 6.544 -9.096 573 HG3 ARG 74 3HG ARG 74 -0.341 7.697 -9.920 574 HD2 ARG 74 2HD ARG 74 1.609 9.106 -10.459 575 HD3 ARG 74 3HD ARG 74 2.660 7.964 -9.624 576 HE ARG 74 HE ARG 74 2.413 6.435 -11.432 577 HH11 ARG 74 1HH2 ARG 74 0.387 9.223 -11.734 578 HH12 ARG 74 2HH2 ARG 74 -0.018 8.900 -13.386 579 HH21 ARG 74 1HH1 ARG 74 1.890 6.015 -13.574 580 HH22 ARG 74 2HH1 ARG 74 0.829 7.088 -14.427 581 H LEU 75 H LEU 75 0.949 7.303 -5.206 582 HA LEU 75 HA LEU 75 0.258 9.749 -3.678 583 HB2 LEU 75 2HB LEU 75 -1.207 7.593 -3.081 584 HB3 LEU 75 3HB LEU 75 0.235 7.123 -2.193 585 HG LEU 75 HG LEU 75 -1.226 8.333 -0.685 586 HD11 LEU 75 1HD1 LEU 75 0.326 9.919 0.146 587 HD12 LEU 75 2HD1 LEU 75 0.919 10.306 -1.465 588 HD13 LEU 75 3HD1 LEU 75 1.312 8.750 -0.728 589 HD21 LEU 75 3HD2 LEU 75 -1.074 10.927 -2.134 590 HD22 LEU 75 1HD2 LEU 75 -2.410 10.219 -1.236 591 HD23 LEU 75 2HD2 LEU 75 -2.103 9.724 -2.897 592 H ALA 76 H ALA 76 2.188 10.607 -3.053 593 HA ALA 76 HA ALA 76 4.358 8.745 -2.190 594 HB1 ALA 76 3HB ALA 76 4.789 9.354 -4.550 595 HB2 ALA 76 1HB ALA 76 6.007 10.030 -3.472 596 HB3 ALA 76 2HB ALA 76 4.727 11.056 -4.109 597 H TYR 77 H TYR 77 5.286 9.405 -0.357 598 HA TYR 77 HA TYR 77 5.664 12.175 0.368 599 HB2 TYR 77 2HB TYR 77 4.168 12.348 2.225 600 HB3 TYR 77 3HB TYR 77 3.188 11.800 0.868 601 HD1 TYR 77 HD1 TYR 77 3.169 9.114 0.589 602 HD2 TYR 77 HD2 TYR 77 3.902 11.220 4.257 603 HE1 TYR 77 HE1 TYR 77 2.485 7.109 1.875 604 HE2 TYR 77 HE2 TYR 77 3.222 9.213 5.545 605 HH TYR 77 HH TYR 77 2.828 6.148 4.095 606 H SER 78 H SER 78 6.281 12.152 2.862 607 HA SER 78 HA SER 78 7.496 11.192 4.627 608 HB2 SER 78 2HB SER 78 7.767 8.903 4.835 609 HB3 SER 78 3HB SER 78 6.431 8.948 3.689 610 HG SER 78 HG SER 78 8.843 7.910 3.371 611 H PHE 79 H PHE 79 9.771 10.758 5.051 612 HA PHE 79 HA PHE 79 11.518 12.312 3.498 613 HB2 PHE 79 2HB PHE 79 11.973 10.095 5.495 614 HB3 PHE 79 3HB PHE 79 13.330 10.923 4.732 615 HD1 PHE 79 HD2 PHE 79 13.752 13.303 5.129 616 HD2 PHE 79 HD1 PHE 79 10.516 11.255 7.074 617 HE1 PHE 79 HE2 PHE 79 13.517 15.190 6.718 618 HE2 PHE 79 HE1 PHE 79 10.280 13.144 8.663 619 HZ PHE 79 HZ PHE 79 11.778 15.111 8.485 620 H GLY 80 H GLY 80 13.789 10.913 2.965 621 HA2 GLY 80 2HA GLY 80 14.842 9.553 1.390 622 HA3 GLY 80 3HA GLY 80 13.416 8.521 1.427 623 H TRP 81 H TRP 81 15.236 10.184 -0.640 624 HA TRP 81 HA TRP 81 13.296 10.198 -2.747 625 HB2 TRP 81 2HB TRP 81 12.464 12.211 -1.521 626 HB3 TRP 81 3HB TRP 81 14.047 12.956 -1.735 627 HD1 TRP 81 HD1 TRP 81 11.644 11.097 -4.148 628 HE1 TRP 81 HE1 TRP 81 11.419 12.512 -6.292 629 HE3 TRP 81 HE3 TRP 81 14.631 15.051 -2.913 630 HZ2 TRP 81 HZ2 TRP 81 12.376 14.993 -7.343 631 HZ3 TRP 81 HZ3 TRP 81 14.955 16.926 -4.502 632 HH2 TRP 81 HH2 TRP 81 13.833 16.901 -6.713 633 H ASP 82 H ASP 82 14.207 11.395 -4.727 634 HA ASP 82 HA ASP 82 15.940 11.529 -6.281 635 HB2 ASP 82 2HB ASP 82 17.289 12.601 -3.794 636 HB3 ASP 82 3HB ASP 82 18.085 12.567 -5.367 637 H GLY 83 H GLY 83 16.558 9.599 -7.036 638 HA2 GLY 83 2HA GLY 83 17.806 7.575 -5.369 639 HA3 GLY 83 3HA GLY 83 17.546 7.464 -7.107 640 H SER 84 H SER 84 19.866 7.933 -4.684 641 HA SER 84 HA SER 84 21.984 8.173 -6.678 642 HB2 SER 84 2HB SER 84 21.361 10.451 -4.789 643 HB3 SER 84 3HB SER 84 22.961 10.227 -5.489 644 HG SER 84 HG SER 84 22.124 11.307 -7.087 645 H GLU 85 H GLU 85 22.974 9.557 -3.790 646 HA GLU 85 HA GLU 85 24.535 7.259 -3.057 647 HB2 GLU 85 2HB GLU 85 23.993 9.857 -1.592 648 HB3 GLU 85 3HB GLU 85 25.209 8.670 -1.115 649 HG2 GLU 85 2HG GLU 85 25.116 10.041 -3.820 650 HG3 GLU 85 3HG GLU 85 26.162 10.531 -2.488 651 H VAL 86 H VAL 86 24.496 7.100 -0.371 652 HA VAL 86 HA VAL 86 22.021 5.592 0.098 653 HB VAL 86 HB VAL 86 24.298 4.706 0.702 654 HG11 VAL 86 1HG1 VAL 86 24.162 6.603 3.052 655 HG12 VAL 86 2HG1 VAL 86 25.067 6.995 1.588 656 HG13 VAL 86 3HG1 VAL 86 25.511 5.583 2.548 657 HG21 VAL 86 3HG2 VAL 86 22.610 4.995 3.192 658 HG22 VAL 86 1HG2 VAL 86 23.537 3.600 2.648 659 HG23 VAL 86 2HG2 VAL 86 22.052 4.045 1.817 660 H VAL 87 H VAL 87 21.010 5.749 2.299 661 HA VAL 87 HA VAL 87 20.648 8.611 3.074 662 HB VAL 87 HB VAL 87 18.445 7.915 3.938 663 HG11 VAL 87 1HG1 VAL 87 17.442 7.252 1.712 664 HG12 VAL 87 2HG1 VAL 87 19.091 7.152 1.089 665 HG13 VAL 87 3HG1 VAL 87 18.468 8.690 1.685 666 HG21 VAL 87 3HG2 VAL 87 17.799 5.472 3.006 667 HG22 VAL 87 1HG2 VAL 87 18.500 5.680 4.601 668 HG23 VAL 87 2HG2 VAL 87 19.520 5.191 3.247 669 HA PRO 88 HA PRO 88 23.082 6.856 6.586 670 HB2 PRO 88 2HB PRO 88 22.878 9.677 7.536 671 HB3 PRO 88 3HB PRO 88 24.291 8.653 7.378 672 HG2 PRO 88 2HG PRO 88 23.754 10.648 5.639 673 HG3 PRO 88 3HG PRO 88 24.618 9.171 5.178 674 HD2 PRO 88 2HD PRO 88 21.826 9.985 4.519 675 HD3 PRO 88 3HD PRO 88 22.926 8.918 3.645 676 HA PRO 89 HA PRO 89 19.657 8.211 9.594 677 HB2 PRO 89 2HB PRO 89 17.660 9.869 8.809 678 HB3 PRO 89 3HB PRO 89 19.247 10.471 9.323 679 HG2 PRO 89 2HG PRO 89 18.115 10.226 6.588 680 HG3 PRO 89 3HG PRO 89 19.232 11.433 7.246 681 HD2 PRO 89 2HD PRO 89 19.945 9.215 5.687 682 HD3 PRO 89 3HD PRO 89 21.048 10.209 6.623 683 H GLY 90 H GLY 90 17.456 7.463 10.095 684 HA2 GLY 90 2HA GLY 90 16.686 5.144 8.647 685 HA3 GLY 90 3HA GLY 90 15.683 5.962 9.847 686 H SER 91 H SER 91 16.501 8.231 7.572 687 HA SER 91 HA SER 91 14.026 8.886 6.633 688 HB2 SER 91 2HB SER 91 16.700 8.958 5.240 689 HB3 SER 91 3HB SER 91 15.247 9.563 4.444 690 HG SER 91 HG SER 91 16.428 11.152 5.683 691 H SER 92 H SER 92 12.476 7.908 5.482 692 HA SER 92 HA SER 92 13.220 5.751 3.548 693 HB2 SER 92 2HB SER 92 11.092 5.660 5.698 694 HB3 SER 92 3HB SER 92 11.132 4.556 4.328 695 HG SER 92 HG SER 92 12.403 3.468 5.619 696 H LEU 93 H LEU 93 11.793 5.550 1.800 697 HA LEU 93 HA LEU 93 9.914 7.847 1.450 698 HB2 LEU 93 2HB LEU 93 11.786 7.948 -0.111 699 HB3 LEU 93 3HB LEU 93 11.483 6.289 -0.614 700 HG LEU 93 HG LEU 93 9.315 6.912 -1.527 701 HD11 LEU 93 1HD1 LEU 93 8.415 8.591 -0.163 702 HD12 LEU 93 2HD1 LEU 93 8.874 9.515 -1.591 703 HD13 LEU 93 3HD1 LEU 93 9.905 9.533 -0.161 704 HD21 LEU 93 3HD2 LEU 93 11.669 8.612 -2.338 705 HD22 LEU 93 1HD2 LEU 93 10.137 8.714 -3.202 706 HD23 LEU 93 2HD2 LEU 93 11.016 7.188 -3.141 707 H VAL 94 H VAL 94 7.821 7.330 1.330 708 HA VAL 94 HA VAL 94 7.105 4.486 0.692 709 HB VAL 94 HB VAL 94 5.304 6.465 2.090 710 HG11 VAL 94 1HG1 VAL 94 4.242 4.453 2.913 711 HG12 VAL 94 2HG1 VAL 94 5.547 3.448 2.284 712 HG13 VAL 94 3HG1 VAL 94 4.452 4.268 1.171 713 HG21 VAL 94 3HG2 VAL 94 6.172 5.379 4.224 714 HG22 VAL 94 1HG2 VAL 94 7.299 6.486 3.441 715 HG23 VAL 94 2HG2 VAL 94 7.507 4.744 3.264 716 H GLU 95 H GLU 95 6.065 4.162 -1.182 717 HA GLU 95 HA GLU 95 4.471 6.394 -2.374 718 HB2 GLU 95 2HB GLU 95 6.596 4.717 -3.726 719 HB3 GLU 95 3HB GLU 95 5.378 5.626 -4.625 720 HG2 GLU 95 2HG GLU 95 6.123 7.703 -3.585 721 HG3 GLU 95 3HG GLU 95 7.285 6.825 -2.605 722 H ILE 96 H ILE 96 2.598 5.723 -3.365 723 HA ILE 96 HA ILE 96 2.143 2.780 -3.666 724 HB ILE 96 HB ILE 96 0.240 4.795 -2.430 725 HG12 ILE 96 2HG1 ILE 96 1.418 2.252 -1.270 726 HG13 ILE 96 3HG1 ILE 96 2.099 3.853 -0.986 727 HG21 ILE 96 1HG2 ILE 96 -1.171 2.670 -2.136 728 HG22 ILE 96 2HG2 ILE 96 -0.105 1.926 -3.328 729 HG23 ILE 96 3HG2 ILE 96 -1.080 3.327 -3.769 730 HD11 ILE 96 3HD1 ILE 96 -0.103 4.590 -0.072 731 HD12 ILE 96 1HD1 ILE 96 0.609 3.273 0.860 732 HD13 ILE 96 2HD1 ILE 96 -0.704 2.943 -0.270 733 H ASP 97 H ASP 97 1.484 2.327 -5.684 734 HA ASP 97 HA ASP 97 0.317 4.535 -7.352 735 HB2 ASP 97 2HB ASP 97 1.877 2.047 -8.096 736 HB3 ASP 97 3HB ASP 97 1.047 3.061 -9.276 737 H LEU 98 H LEU 98 -1.725 4.255 -8.102 738 HA LEU 98 HA LEU 98 -3.084 1.640 -7.557 739 HB2 LEU 98 2HB LEU 98 -4.277 4.394 -7.995 740 HB3 LEU 98 3HB LEU 98 -5.159 2.936 -7.538 741 HG LEU 98 HG LEU 98 -2.968 4.245 -5.897 742 HD11 LEU 98 1HD1 LEU 98 -5.986 4.271 -5.712 743 HD12 LEU 98 2HD1 LEU 98 -4.882 5.647 -5.758 744 HD13 LEU 98 3HD1 LEU 98 -4.961 4.628 -4.321 745 HD21 LEU 98 3HD2 LEU 98 -4.602 1.726 -5.586 746 HD22 LEU 98 1HD2 LEU 98 -4.073 2.601 -4.149 747 HD23 LEU 98 2HD2 LEU 98 -2.881 1.983 -5.286 748 H ILE 99 H ILE 99 -3.731 0.459 -9.264 749 HA ILE 99 HA ILE 99 -3.946 1.800 -11.941 750 HB ILE 99 HB ILE 99 -2.864 -0.961 -11.307 751 HG12 ILE 99 2HG1 ILE 99 -1.509 1.408 -12.630 752 HG13 ILE 99 3HG1 ILE 99 -1.359 1.053 -10.909 753 HG21 ILE 99 1HG2 ILE 99 -4.096 -1.111 -13.353 754 HG22 ILE 99 2HG2 ILE 99 -2.407 -0.918 -13.821 755 HG23 ILE 99 3HG2 ILE 99 -3.505 0.459 -13.901 756 HD11 ILE 99 3HD1 ILE 99 0.536 0.064 -12.056 757 HD12 ILE 99 1HD1 ILE 99 -0.528 -0.738 -13.210 758 HD13 ILE 99 2HD1 ILE 99 -0.525 -1.237 -11.519 759 H GLU 100 H GLU 100 -5.869 1.537 -12.890 760 HA GLU 100 HA GLU 100 -8.027 0.150 -11.605 761 HB2 GLU 100 2HB GLU 100 -8.308 2.110 -13.137 762 HB3 GLU 100 3HB GLU 100 -7.844 1.074 -14.489 763 HG2 GLU 100 2HG GLU 100 -9.737 -0.419 -14.022 764 HG3 GLU 100 3HG GLU 100 -10.192 0.573 -12.637 765 H GLN 101 H GLN 101 -8.849 -1.905 -11.971 766 HA GLN 101 HA GLN 101 -7.618 -3.527 -14.160 767 HB2 GLN 101 2HB GLN 101 -6.489 -3.938 -11.923 768 HB3 GLN 101 3HB GLN 101 -8.032 -4.575 -11.354 769 HG2 GLN 101 2HG GLN 101 -6.769 -6.460 -12.131 770 HG3 GLN 101 3HG GLN 101 -7.992 -6.140 -13.361 771 HE21 GLN 101 1HE2 GLN 101 -4.540 -6.085 -12.688 772 HE22 GLN 101 2HE2 GLN 101 -4.047 -5.674 -14.260 773 H GLY 102 H GLY 102 -8.954 -5.070 -15.034 774 HA2 GLY 102 2HA GLY 102 -11.781 -4.657 -14.879 775 HA3 GLY 102 3HA GLY 102 -10.991 -6.011 -15.686 776 H GLY 103 H GLY 103 -9.620 -7.022 -13.365 777 HA2 GLY 103 2HA GLY 103 -11.835 -8.514 -12.165 778 HA3 GLY 103 3HA GLY 103 -10.119 -8.770 -11.845 779 H GLY 104 H GLY 104 -10.496 -5.545 -11.556 780 HA2 GLY 104 2HA GLY 104 -11.849 -4.741 -9.368 781 HA3 GLY 104 3HA GLY 104 -10.585 -5.709 -8.611 782 H THR 105 H THR 105 -8.695 -4.700 -8.166 783 HA THR 105 HA THR 105 -7.753 -2.487 -9.865 784 HB THR 105 HB THR 105 -8.328 -2.070 -6.913 785 HG1 THR 105 HG1 THR 105 -9.983 -0.849 -7.590 786 HG21 THR 105 3HG2 THR 105 -7.160 -0.261 -9.047 787 HG22 THR 105 1HG2 THR 105 -6.320 -0.884 -7.626 788 HG23 THR 105 2HG2 THR 105 -7.637 0.271 -7.436 789 H LEU 106 H LEU 106 -5.619 -2.791 -10.098 790 HA LEU 106 HA LEU 106 -4.189 -4.602 -8.269 791 HB2 LEU 106 2HB LEU 106 -3.819 -4.889 -10.649 792 HB3 LEU 106 3HB LEU 106 -3.369 -3.196 -10.826 793 HG LEU 106 HG LEU 106 -1.379 -3.540 -9.443 794 HD11 LEU 106 1HD1 LEU 106 -2.620 -6.258 -9.031 795 HD12 LEU 106 2HD1 LEU 106 -1.953 -5.149 -7.832 796 HD13 LEU 106 3HD1 LEU 106 -0.873 -6.051 -8.891 797 HD21 LEU 106 3HD2 LEU 106 -1.552 -5.805 -11.445 798 HD22 LEU 106 1HD2 LEU 106 -0.118 -4.892 -10.973 799 HD23 LEU 106 2HD2 LEU 106 -1.386 -4.115 -11.918 800 H LEU 107 H LEU 107 -2.918 -3.912 -6.653 801 HA LEU 107 HA LEU 107 -2.171 -1.010 -6.562 802 HB2 LEU 107 2HB LEU 107 -3.754 -1.792 -4.810 803 HB3 LEU 107 3HB LEU 107 -2.547 -2.949 -4.266 804 HG LEU 107 HG LEU 107 -1.551 -0.141 -4.500 805 HD11 LEU 107 1HD1 LEU 107 -2.600 0.575 -2.387 806 HD12 LEU 107 2HD1 LEU 107 -3.573 -0.896 -2.371 807 HD13 LEU 107 3HD1 LEU 107 -3.806 0.301 -3.644 808 HD21 LEU 107 3HD2 LEU 107 -0.526 -0.725 -2.322 809 HD22 LEU 107 1HD2 LEU 107 -0.191 -1.961 -3.530 810 HD23 LEU 107 2HD2 LEU 107 -1.426 -2.240 -2.305 811 H ARG 108 H ARG 108 -0.073 -0.565 -6.621 812 HA ARG 108 HA ARG 108 1.907 -2.758 -6.112 813 HB2 ARG 108 2HB ARG 108 1.849 -1.893 -8.445 814 HB3 ARG 108 3HB ARG 108 2.198 -0.277 -7.831 815 HG2 ARG 108 2HG ARG 108 4.322 -1.049 -6.899 816 HG3 ARG 108 3HG ARG 108 3.971 -2.700 -7.405 817 HD2 ARG 108 2HD ARG 108 5.468 -1.658 -9.030 818 HD3 ARG 108 3HD ARG 108 3.892 -1.927 -9.772 819 HE ARG 108 HE ARG 108 3.980 0.703 -8.627 820 HH11 ARG 108 1HH2 ARG 108 5.188 -1.235 -11.215 821 HH12 ARG 108 2HH2 ARG 108 5.385 0.103 -12.297 822 HH21 ARG 108 1HH1 ARG 108 4.231 2.454 -10.030 823 HH22 ARG 108 2HH1 ARG 108 4.844 2.189 -11.628 824 H LEU 109 H LEU 109 3.358 -2.413 -4.516 825 HA LEU 109 HA LEU 109 3.406 0.291 -3.219 826 HB2 LEU 109 2HB LEU 109 2.456 -1.544 -1.853 827 HB3 LEU 109 3HB LEU 109 3.966 -2.433 -2.014 828 HG LEU 109 HG LEU 109 4.298 0.374 -1.057 829 HD11 LEU 109 1HD1 LEU 109 2.316 -0.009 0.199 830 HD12 LEU 109 2HD1 LEU 109 3.645 -0.347 1.306 831 HD13 LEU 109 3HD1 LEU 109 2.767 -1.677 0.552 832 HD21 LEU 109 3HD2 LEU 109 5.249 -2.192 0.239 833 HD22 LEU 109 1HD2 LEU 109 5.994 -0.595 0.294 834 HD23 LEU 109 2HD2 LEU 109 6.041 -1.538 -1.192 835 H THR 110 H THR 110 5.280 1.344 -3.302 836 HA THR 110 HA THR 110 7.799 -0.192 -3.856 837 HB THR 110 HB THR 110 7.040 2.605 -4.752 838 HG1 THR 110 HG1 THR 110 6.018 1.177 -6.048 839 HG21 THR 110 3HG2 THR 110 9.413 2.481 -4.325 840 HG22 THR 110 1HG2 THR 110 9.174 2.385 -6.071 841 HG23 THR 110 2HG2 THR 110 9.526 0.924 -5.149 842 H HIS 111 H HIS 111 9.294 0.009 -2.289 843 HA HIS 111 HA HIS 111 9.178 2.397 -0.475 844 HB2 HIS 111 2HB HIS 111 8.320 0.188 0.524 845 HB3 HIS 111 3HB HIS 111 9.987 -0.378 0.418 846 HD1 HIS 111 HD1 HIS 111 7.795 1.217 2.718 847 HD2 HIS 111 HD2 HIS 111 11.798 1.778 1.700 848 HE1 HIS 111 HE1 HIS 111 8.840 2.519 4.621 849 H SER 112 H SER 112 11.057 3.472 -0.420 850 HA SER 112 HA SER 112 13.590 2.027 -1.117 851 HB2 SER 112 2HB SER 112 12.909 4.842 -1.980 852 HB3 SER 112 3HB SER 112 14.286 3.866 -2.480 853 HG SER 112 HG SER 112 11.768 3.938 -3.460 854 H GLY 113 H GLY 113 15.507 3.026 -0.235 855 HA2 GLY 113 2HA GLY 113 16.639 4.583 1.212 856 HA3 GLY 113 3HA GLY 113 15.091 5.045 1.909 857 H LEU 114 H LEU 114 16.212 1.719 1.411 858 HA LEU 114 HA LEU 114 16.194 1.334 4.385 859 HB2 LEU 114 2HB LEU 114 15.726 -0.785 2.289 860 HB3 LEU 114 3HB LEU 114 15.466 -0.912 4.029 861 HG LEU 114 HG LEU 114 13.950 0.882 2.111 862 HD11 LEU 114 1HD1 LEU 114 13.388 -1.568 2.109 863 HD12 LEU 114 2HD1 LEU 114 12.055 -0.538 2.629 864 HD13 LEU 114 3HD1 LEU 114 12.996 -1.431 3.822 865 HD21 LEU 114 3HD2 LEU 114 12.536 1.188 4.307 866 HD22 LEU 114 1HD2 LEU 114 14.007 2.137 4.104 867 HD23 LEU 114 2HD2 LEU 114 14.018 0.701 5.127 868 HA PRO 115 HA PRO 115 20.509 0.466 2.909 869 HB2 PRO 115 2HB PRO 115 21.829 1.803 4.885 870 HB3 PRO 115 3HB PRO 115 21.193 2.618 3.443 871 HG2 PRO 115 2HG PRO 115 20.064 2.496 6.198 872 HG3 PRO 115 3HG PRO 115 20.102 3.850 5.056 873 HD2 PRO 115 2HD PRO 115 17.888 2.256 5.484 874 HD3 PRO 115 3HD PRO 115 18.166 3.164 3.982 875 H SER 116 H SER 116 18.653 -0.240 5.652 876 HA SER 116 HA SER 116 20.726 -2.112 6.744 877 HB2 SER 116 2HB SER 116 19.434 -2.057 8.819 878 HB3 SER 116 3HB SER 116 19.829 -0.414 8.326 879 HG SER 116 HG SER 116 17.388 -1.746 8.379 880 H ALA 117 H ALA 117 20.288 -4.263 6.785 881 HA ALA 117 HA ALA 117 18.230 -5.341 5.090 882 HB1 ALA 117 3HB ALA 117 19.980 -6.689 7.167 883 HB2 ALA 117 1HB ALA 117 20.363 -6.500 5.454 884 HB3 ALA 117 2HB ALA 117 19.020 -7.530 5.950 885 H GLU 118 H GLU 118 18.515 -4.848 8.569 886 HA GLU 118 HA GLU 118 16.355 -6.447 9.459 887 HB2 GLU 118 2HB GLU 118 17.403 -3.792 10.479 888 HB3 GLU 118 3HB GLU 118 16.225 -4.777 11.348 889 HG2 GLU 118 2HG GLU 118 17.812 -6.637 11.448 890 HG3 GLU 118 3HG GLU 118 18.981 -5.715 10.502 891 H GLN 119 H GLN 119 16.374 -3.061 8.346 892 HA GLN 119 HA GLN 119 13.552 -2.640 8.679 893 HB2 GLN 119 2HB GLN 119 15.609 -1.310 6.897 894 HB3 GLN 119 3HB GLN 119 13.946 -0.743 7.053 895 HG2 GLN 119 2HG GLN 119 14.256 -0.428 9.465 896 HG3 GLN 119 3HG GLN 119 15.898 -1.058 9.352 897 HE21 GLN 119 1HE2 GLN 119 14.224 1.815 9.518 898 HE22 GLN 119 2HE2 GLN 119 15.335 2.831 8.731 899 H CYS 120 H CYS 120 15.533 -3.787 5.971 900 HA CYS 120 HA CYS 120 13.406 -3.878 4.038 901 HB2 CYS 120 2HB CYS 120 15.953 -5.514 4.243 902 HB3 CYS 120 3HB CYS 120 14.923 -5.424 2.815 903 HG CYS 120 HG CYS 120 16.818 -3.200 3.807 904 H ALA 121 H ALA 121 14.787 -6.345 6.212 905 HA ALA 121 HA ALA 121 13.006 -8.455 5.403 906 HB1 ALA 121 3HB ALA 121 15.032 -9.063 6.525 907 HB2 ALA 121 1HB ALA 121 13.724 -9.455 7.639 908 HB3 ALA 121 2HB ALA 121 14.677 -7.991 7.881 909 H GLY 122 H GLY 122 12.920 -6.080 8.045 910 HA2 GLY 122 2HA GLY 122 10.508 -7.096 9.252 911 HA3 GLY 122 3HA GLY 122 11.200 -5.499 9.531 912 H HIS 123 H HIS 123 11.165 -4.552 6.868 913 HA HIS 123 HA HIS 123 8.461 -3.598 6.671 914 HB2 HIS 123 2HB HIS 123 10.841 -3.489 4.810 915 HB3 HIS 123 3HB HIS 123 9.297 -2.735 4.411 916 HD1 HIS 123 HD1 HIS 123 10.682 -2.828 7.913 917 HD2 HIS 123 HD2 HIS 123 10.189 -0.075 4.821 918 HE1 HIS 123 HE1 HIS 123 11.184 -0.550 8.896 919 H GLU 124 H GLU 124 10.308 -5.998 4.806 920 HA GLU 124 HA GLU 124 8.360 -6.602 2.847 921 HB2 GLU 124 2HB GLU 124 10.699 -7.447 2.834 922 HB3 GLU 124 3HB GLU 124 10.304 -8.504 4.189 923 HG2 GLU 124 2HG GLU 124 8.626 -9.665 2.836 924 HG3 GLU 124 3HG GLU 124 8.941 -8.580 1.481 925 H GLU 125 H GLU 125 8.875 -8.090 6.049 926 HA GLU 125 HA GLU 125 6.609 -9.867 5.849 927 HB2 GLU 125 2HB GLU 125 8.540 -10.218 7.394 928 HB3 GLU 125 3HB GLU 125 7.999 -8.825 8.333 929 HG2 GLU 125 2HG GLU 125 5.858 -9.929 8.787 930 HG3 GLU 125 3HG GLU 125 6.347 -11.312 7.808 931 H GLY 126 H GLY 126 7.097 -6.638 7.220 932 HA2 GLY 126 2HA GLY 126 4.576 -6.392 8.526 933 HA3 GLY 126 3HA GLY 126 5.562 -5.042 7.982 934 H TRP 127 H TRP 127 5.610 -5.316 5.291 935 HA TRP 127 HA TRP 127 3.019 -4.372 4.491 936 HB2 TRP 127 2HB TRP 127 5.491 -5.180 2.955 937 HB3 TRP 127 3HB TRP 127 4.030 -4.607 2.149 938 HD1 TRP 127 HD1 TRP 127 7.163 -3.346 3.464 939 HE1 TRP 127 HE1 TRP 127 7.057 -0.811 3.913 940 HE3 TRP 127 HE3 TRP 127 2.115 -2.620 3.221 941 HZ2 TRP 127 HZ2 TRP 127 5.090 1.252 4.140 942 HZ3 TRP 127 HZ3 TRP 127 1.153 -0.362 3.557 943 HH2 TRP 127 HH2 TRP 127 2.633 1.574 4.015 944 H ALA 128 H ALA 128 4.625 -7.493 4.316 945 HA ALA 128 HA ALA 128 2.990 -8.819 2.444 946 HB1 ALA 128 3HB ALA 128 4.175 -9.951 4.993 947 HB2 ALA 128 1HB ALA 128 5.031 -9.787 3.459 948 HB3 ALA 128 2HB ALA 128 3.657 -10.886 3.591 949 H HIS 129 H HIS 129 2.531 -8.643 5.998 950 HA HIS 129 HA HIS 129 -0.046 -9.968 5.871 951 HB2 HIS 129 2HB HIS 129 -0.196 -9.521 8.228 952 HB3 HIS 129 3HB HIS 129 1.488 -9.913 7.889 953 HD1 HIS 129 HD1 HIS 129 -0.573 -6.679 7.820 954 HD2 HIS 129 HD2 HIS 129 3.107 -8.098 9.162 955 HE1 HIS 129 HE1 HIS 129 0.593 -4.716 8.914 956 H TYR 130 H TYR 130 1.050 -6.635 5.822 957 HA TYR 130 HA TYR 130 -1.428 -5.342 6.366 958 HB2 TYR 130 2HB TYR 130 0.872 -4.273 6.216 959 HB3 TYR 130 3HB TYR 130 0.708 -4.362 4.463 960 HD1 TYR 130 HD2 TYR 130 -1.200 -3.175 3.327 961 HD2 TYR 130 HD1 TYR 130 -0.256 -2.594 7.476 962 HE1 TYR 130 HE2 TYR 130 -2.539 -1.088 3.340 963 HE2 TYR 130 HE1 TYR 130 -1.593 -0.510 7.489 964 HH TYR 130 HH TYR 130 -2.540 1.088 4.762 965 H LEU 131 H LEU 131 0.053 -6.270 3.249 966 HA LEU 131 HA LEU 131 -2.109 -5.355 1.606 967 HB2 LEU 131 2HB LEU 131 -0.027 -7.510 1.168 968 HB3 LEU 131 3HB LEU 131 -1.123 -6.950 -0.087 969 HG LEU 131 HG LEU 131 0.696 -5.079 1.455 970 HD11 LEU 131 1HD1 LEU 131 1.215 -6.310 -1.268 971 HD12 LEU 131 2HD1 LEU 131 1.998 -6.833 0.224 972 HD13 LEU 131 3HD1 LEU 131 2.266 -5.202 -0.387 973 HD21 LEU 131 3HD2 LEU 131 -1.035 -4.847 -1.013 974 HD22 LEU 131 1HD2 LEU 131 0.345 -3.777 -0.788 975 HD23 LEU 131 2HD2 LEU 131 -0.962 -3.781 0.387 976 H GLY 132 H GLY 132 -1.389 -8.501 3.081 977 HA2 GLY 132 2HA GLY 132 -3.588 -9.915 1.914 978 HA3 GLY 132 3HA GLY 132 -2.737 -10.391 3.382 979 H ARG 133 H ARG 133 -3.254 -8.269 5.064 980 HA ARG 133 HA ARG 133 -5.891 -8.849 5.999 981 HB2 ARG 133 2HB ARG 133 -4.029 -8.001 7.429 982 HB3 ARG 133 3HB ARG 133 -4.169 -6.433 6.630 983 HG2 ARG 133 2HG ARG 133 -6.489 -6.217 7.405 984 HG3 ARG 133 3HG ARG 133 -6.396 -7.806 8.167 985 HD2 ARG 133 2HD ARG 133 -4.592 -5.470 8.876 986 HD3 ARG 133 3HD ARG 133 -6.039 -5.914 9.776 987 HE ARG 133 HE ARG 133 -4.458 -8.240 9.599 988 HH11 ARG 133 1HH2 ARG 133 -4.295 -5.041 10.898 989 HH12 ARG 133 2HH2 ARG 133 -3.265 -5.494 12.215 990 HH21 ARG 133 1HH1 ARG 133 -3.122 -8.834 11.309 991 HH22 ARG 133 2HH1 ARG 133 -2.601 -7.637 12.448 992 H LEU 134 H LEU 134 -4.591 -6.053 4.213 993 HA LEU 134 HA LEU 134 -7.044 -4.590 4.164 994 HB2 LEU 134 2HB LEU 134 -4.881 -3.534 3.634 995 HB3 LEU 134 3HB LEU 134 -4.737 -4.539 2.193 996 HG LEU 134 HG LEU 134 -6.748 -3.510 1.234 997 HD11 LEU 134 1HD1 LEU 134 -6.897 -2.229 3.952 998 HD12 LEU 134 2HD1 LEU 134 -8.185 -2.949 2.983 999 HD13 LEU 134 3HD1 LEU 134 -7.547 -1.364 2.558 1000 HD21 LEU 134 3HD2 LEU 134 -5.877 -1.157 1.024 1001 HD22 LEU 134 1HD2 LEU 134 -4.657 -2.398 0.735 1002 HD23 LEU 134 2HD2 LEU 134 -4.693 -1.540 2.274 1003 H THR 135 H THR 135 -5.667 -7.013 1.996 1004 HA THR 135 HA THR 135 -7.533 -6.793 -0.132 1005 HB THR 135 HB THR 135 -6.091 -9.240 0.928 1006 HG1 THR 135 HG1 THR 135 -5.439 -7.122 -0.760 1007 HG21 THR 135 3HG2 THR 135 -7.630 -8.716 -1.615 1008 HG22 THR 135 1HG2 THR 135 -7.838 -10.039 -0.467 1009 HG23 THR 135 2HG2 THR 135 -6.412 -9.986 -1.502 1010 H GLU 136 H GLU 136 -7.640 -8.753 2.842 1011 HA GLU 136 HA GLU 136 -10.044 -10.161 2.301 1012 HB2 GLU 136 2HB GLU 136 -8.877 -9.177 4.918 1013 HB3 GLU 136 3HB GLU 136 -10.242 -10.287 4.813 1014 HG2 GLU 136 2HG GLU 136 -8.861 -11.907 3.596 1015 HG3 GLU 136 3HG GLU 136 -7.499 -10.787 3.622 1016 H VAL 137 H VAL 137 -9.549 -7.018 3.913 1017 HA VAL 137 HA VAL 137 -12.315 -6.508 4.453 1018 HB VAL 137 HB VAL 137 -9.969 -4.635 4.036 1019 HG11 VAL 137 1HG1 VAL 137 -11.490 -3.040 5.357 1020 HG12 VAL 137 2HG1 VAL 137 -12.813 -4.123 4.922 1021 HG13 VAL 137 3HG1 VAL 137 -11.897 -3.297 3.661 1022 HG21 VAL 137 3HG2 VAL 137 -9.885 -6.257 5.960 1023 HG22 VAL 137 1HG2 VAL 137 -11.371 -5.527 6.567 1024 HG23 VAL 137 2HG2 VAL 137 -9.898 -4.564 6.454 1025 H ALA 138 H ALA 138 -10.220 -5.521 1.743 1026 HA ALA 138 HA ALA 138 -12.286 -4.104 0.323 1027 HB1 ALA 138 3HB ALA 138 -9.628 -5.281 -0.498 1028 HB2 ALA 138 1HB ALA 138 -10.042 -3.582 -0.262 1029 HB3 ALA 138 2HB ALA 138 -10.681 -4.461 -1.651 1030 H ALA 139 H ALA 139 -11.155 -7.444 0.312 1031 HA ALA 139 HA ALA 139 -12.753 -8.239 -1.978 1032 HB1 ALA 139 3HB ALA 139 -10.813 -9.554 -1.502 1033 HB2 ALA 139 1HB ALA 139 -12.194 -10.574 -1.102 1034 HB3 ALA 139 2HB ALA 139 -11.289 -9.771 0.183 1035 H GLY 140 H GLY 140 -13.845 -7.061 0.769 1036 HA2 GLY 140 2HA GLY 140 -16.468 -7.850 0.642 1037 HA3 GLY 140 3HA GLY 140 -15.726 -9.140 1.591 1038 H ARG 141 H ARG 141 -15.970 -8.807 3.726 1039 HA ARG 141 HA ARG 141 -15.241 -6.226 4.906 1040 HB2 ARG 141 2HB ARG 141 -17.636 -5.889 4.321 1041 HB3 ARG 141 3HB ARG 141 -18.052 -7.313 5.278 1042 HG2 ARG 141 2HG ARG 141 -17.138 -6.246 7.297 1043 HG3 ARG 141 3HG ARG 141 -16.661 -4.837 6.351 1044 HD2 ARG 141 2HD ARG 141 -19.517 -5.822 6.612 1045 HD3 ARG 141 3HD ARG 141 -18.822 -4.528 7.586 1046 HE ARG 141 HE ARG 141 -18.376 -3.897 4.853 1047 HH11 ARG 141 1HH2 ARG 141 -20.933 -4.290 7.142 1048 HH12 ARG 141 2HH2 ARG 141 -21.974 -3.142 6.366 1049 HH21 ARG 141 1HH1 ARG 141 -19.724 -2.405 3.837 1050 HH22 ARG 141 2HH1 ARG 141 -21.290 -2.076 4.497 1051 H ASP 142 H ASP 142 -13.841 -7.013 6.378 1052 HA ASP 142 HA ASP 142 -14.771 -8.616 8.588 1053 HB2 ASP 142 2HB ASP 142 -14.506 -10.392 6.845 1054 HB3 ASP 142 3HB ASP 142 -12.812 -9.934 6.670 1055 HA PRO 143 HA PRO 143 -10.737 -6.045 8.729 1056 HB2 PRO 143 2HB PRO 143 -11.717 -3.914 10.183 1057 HB3 PRO 143 3HB PRO 143 -11.663 -3.953 8.412 1058 HG2 PRO 143 2HG PRO 143 -13.958 -4.506 10.242 1059 HG3 PRO 143 3HG PRO 143 -13.924 -3.607 8.711 1060 HD2 PRO 143 2HD PRO 143 -14.830 -6.170 8.854 1061 HD3 PRO 143 3HD PRO 143 -13.989 -5.537 7.419 1062 H GLY 144 H GLY 144 -9.419 -6.667 10.324 1063 HA2 GLY 144 2HA GLY 144 -8.767 -7.719 12.325 1064 HA3 GLY 144 3HA GLY 144 -9.538 -6.297 13.025 1065 HA PRO 145 HA PRO 145 -11.596 -10.128 14.758 1066 HB2 PRO 145 2HB PRO 145 -11.804 -8.139 17.005 1067 HB3 PRO 145 3HB PRO 145 -11.374 -9.862 17.062 1068 HG2 PRO 145 2HG PRO 145 -9.512 -8.007 17.330 1069 HG3 PRO 145 3HG PRO 145 -9.194 -9.460 16.359 1070 HD2 PRO 145 2HD PRO 145 -9.843 -6.678 15.421 1071 HD3 PRO 145 3HD PRO 145 -8.682 -7.849 14.751 1072 H ASP 146 H ASP 146 -13.502 -8.780 16.791 1073 HA ASP 146 HA ASP 146 -15.536 -7.787 14.822 1074 HB2 ASP 146 2HB ASP 146 -15.980 -9.420 17.341 1075 HB3 ASP 146 3HB ASP 146 -17.241 -8.836 16.254 1076 HA PRO 147 HA PRO 147 -14.601 -4.766 18.398 1077 HB2 PRO 147 2HB PRO 147 -13.927 -2.632 16.744 1078 HB3 PRO 147 3HB PRO 147 -12.751 -3.742 17.472 1079 HG2 PRO 147 2HG PRO 147 -13.901 -3.750 14.716 1080 HG3 PRO 147 3HG PRO 147 -12.240 -4.077 15.246 1081 HD2 PRO 147 2HD PRO 147 -13.933 -6.087 14.588 1082 HD3 PRO 147 3HD PRO 147 -12.730 -6.266 15.888 1083 H PHE 148 H PHE 148 -16.142 -3.231 19.055 1084 HA PHE 148 HA PHE 148 -18.564 -3.075 17.368 1085 HB2 PHE 148 2HB PHE 148 -17.987 -2.215 20.217 1086 HB3 PHE 148 3HB PHE 148 -19.554 -2.032 19.426 1087 HD1 PHE 148 HD2 PHE 148 -20.816 -4.061 18.661 1088 HD2 PHE 148 HD1 PHE 148 -17.225 -4.363 21.004 1089 HE1 PHE 148 HE2 PHE 148 -21.368 -6.415 19.208 1090 HE2 PHE 148 HE1 PHE 148 -17.781 -6.719 21.548 1091 HZ PHE 148 HZ PHE 148 -19.852 -7.744 20.652 1092 H TYR 149 H TYR 149 -17.464 -1.648 15.767 1093 HA TYR 149 HA TYR 149 -18.007 1.162 16.386 1094 HB2 TYR 149 2HB TYR 149 -15.683 0.984 17.166 1095 HB3 TYR 149 3HB TYR 149 -15.203 0.287 15.619 1096 HD1 TYR 149 HD1 TYR 149 -16.736 3.325 17.166 1097 HD2 TYR 149 HD2 TYR 149 -14.661 1.686 13.780 1098 HE1 TYR 149 HE1 TYR 149 -16.455 5.606 16.233 1099 HE2 TYR 149 HE2 TYR 149 -14.380 3.967 12.850 1100 HH TYR 149 HH TYR 149 -14.438 6.211 13.437 1101 H GLY 150 H GLY 150 -19.235 1.657 14.662 1102 HA2 GLY 150 2HA GLY 150 -18.860 0.319 12.084 1103 HA3 GLY 150 3HA GLY 150 -20.112 1.496 12.472 1104 H ARG 151 H ARG 151 -19.404 2.230 10.231 1105 HA ARG 151 HA ARG 151 -16.863 3.499 9.816 1106 HB2 ARG 151 2HB ARG 151 -19.566 3.879 8.499 1107 HB3 ARG 151 3HB ARG 151 -18.093 4.665 7.933 1108 HG2 ARG 151 2HG ARG 151 -17.036 2.491 7.564 1109 HG3 ARG 151 3HG ARG 151 -18.448 1.667 8.224 1110 HD2 ARG 151 2HD ARG 151 -18.570 1.609 5.790 1111 HD3 ARG 151 3HD ARG 151 -19.835 2.677 6.398 1112 HE ARG 151 HE ARG 151 -17.481 4.214 5.844 1113 HH11 ARG 151 1HH2 ARG 151 -20.023 2.443 4.307 1114 HH12 ARG 151 2HH2 ARG 151 -19.994 3.408 2.868 1115 HH21 ARG 151 1HH1 ARG 151 -17.440 5.469 3.976 1116 HH22 ARG 151 2HH1 ARG 151 -18.535 5.117 2.681 1117 H ARG 152 H ARG 152 -19.675 5.507 9.400 1118 HA ARG 152 HA ARG 152 -18.409 7.635 11.000 1119 HB2 ARG 152 2HB ARG 152 -20.173 9.063 10.046 1120 HB3 ARG 152 3HB ARG 152 -19.359 8.151 8.776 1121 HG2 ARG 152 2HG ARG 152 -21.189 6.490 8.789 1122 HG3 ARG 152 3HG ARG 152 -22.014 7.407 10.051 1123 HD2 ARG 152 2HD ARG 152 -22.124 9.369 8.536 1124 HD3 ARG 152 3HD ARG 152 -21.346 8.422 7.270 1125 HE ARG 152 HE ARG 152 -23.640 6.991 8.149 1126 HH11 ARG 152 1HH2 ARG 152 -22.743 9.914 6.539 1127 HH12 ARG 152 2HH2 ARG 152 -24.202 10.000 5.609 1128 HH21 ARG 152 1HH1 ARG 152 -25.540 7.098 6.944 1129 HH22 ARG 152 2HH1 ARG 152 -25.784 8.409 5.837 1130 H LEU 153 H LEU 153 -20.086 5.074 11.888 1131 HA LEU 153 HA LEU 153 -22.270 6.204 13.405 1132 HB2 LEU 153 2HB LEU 153 -20.860 3.542 13.371 1133 HB3 LEU 153 3HB LEU 153 -22.087 3.889 14.585 1134 HG LEU 153 HG LEU 153 -22.972 2.737 12.525 1135 HD11 LEU 153 1HD1 LEU 153 -24.236 4.549 14.048 1136 HD12 LEU 153 2HD1 LEU 153 -24.991 3.854 12.621 1137 HD13 LEU 153 3HD1 LEU 153 -24.255 5.450 12.533 1138 HD21 LEU 153 3HD2 LEU 153 -23.019 3.856 10.424 1139 HD22 LEU 153 1HD2 LEU 153 -21.370 4.058 11.010 1140 HD23 LEU 153 2HD2 LEU 153 -22.522 5.388 11.139 1141 H GLU 154 H GLU 154 -22.317 6.908 15.487 1142 HA GLU 154 HA GLU 154 -19.714 6.997 16.976 1143 HB2 GLU 154 2HB GLU 154 -22.114 8.852 17.017 1144 HB3 GLU 154 3HB GLU 154 -20.752 8.976 18.133 1145 HG2 GLU 154 2HG GLU 154 -19.210 9.299 16.257 1146 HG3 GLU 154 3HG GLU 154 -20.536 9.109 15.112 1147 H HIS 155 H HIS 155 -22.009 8.068 19.019 1148 HA HIS 155 HA HIS 155 -22.851 5.381 19.995 1149 HB2 HIS 155 2HB HIS 155 -22.244 6.202 22.336 1150 HB3 HIS 155 3HB HIS 155 -20.882 5.797 21.293 1151 HD1 HIS 155 HD1 HIS 155 -22.571 8.674 22.970 1152 HD2 HIS 155 HD2 HIS 155 -19.382 8.065 20.353 1153 HE1 HIS 155 HE1 HIS 155 -21.274 10.848 22.902 1154 H HIS 156 H HIS 156 -24.193 7.666 18.648 1155 HA HIS 156 HA HIS 156 -25.757 9.097 20.600 1156 HB2 HIS 156 2HB HIS 156 -27.142 9.770 18.680 1157 HB3 HIS 156 3HB HIS 156 -25.430 9.921 18.292 1158 HD1 HIS 156 HD1 HIS 156 -24.386 7.950 16.805 1159 HD2 HIS 156 HD2 HIS 156 -28.549 8.015 17.024 1160 HE1 HIS 156 HE1 HIS 156 -25.227 6.483 14.918 1161 H HIS 157 H HIS 157 -26.173 7.023 21.860 1162 HA HIS 157 HA HIS 157 -28.035 5.064 20.884 1163 HB2 HIS 157 2HB HIS 157 -27.266 5.935 23.685 1164 HB3 HIS 157 3HB HIS 157 -28.331 4.570 23.352 1165 HD1 HIS 157 HD1 HIS 157 -24.753 5.650 23.176 1166 HD2 HIS 157 HD2 HIS 157 -27.027 2.312 22.146 1167 HE1 HIS 157 HE1 HIS 157 -23.109 3.785 22.691 1168 H HIS 158 H HIS 158 -28.409 8.097 22.704 1169 HA HIS 158 HA HIS 158 -31.212 8.255 21.811 1170 HB2 HIS 158 2HB HIS 158 -32.062 8.627 24.122 1171 HB3 HIS 158 3HB HIS 158 -31.452 6.990 23.890 1172 HD1 HIS 158 HD1 HIS 158 -29.730 10.281 24.812 1173 HD2 HIS 158 HD2 HIS 158 -30.008 6.336 26.133 1174 HE1 HIS 158 HE1 HIS 158 -28.191 10.085 26.814 1175 H HIS 159 H HIS 159 -32.140 10.402 22.265 1176 HA HIS 159 HA HIS 159 -30.084 12.482 22.033 1177 HB2 HIS 159 2HB HIS 159 -32.093 12.510 20.598 1178 HB3 HIS 159 3HB HIS 159 -33.109 12.685 22.028 1179 HD1 HIS 159 HD1 HIS 159 -30.254 14.510 20.279 1180 HD2 HIS 159 HD2 HIS 159 -33.464 15.319 22.813 1181 HE1 HIS 159 HE1 HIS 159 -30.338 17.027 20.546 1182 H HIS 160 H HIS 160 -29.391 13.733 23.659 1183 HA HIS 160 HA HIS 160 -29.098 14.486 25.859 1184 HB2 HIS 160 2HB HIS 160 -30.934 15.957 24.941 1185 HB3 HIS 160 3HB HIS 160 -32.099 14.886 25.721 1186 HD1 HIS 160 HD1 HIS 160 -32.113 14.836 28.340 1187 HD2 HIS 160 HD2 HIS 160 -29.505 17.649 26.710 1188 HE1 HIS 160 HE1 HIS 160 -31.428 16.364 30.241 Start of MODEL 18 1 H1 MET 1 1H MET 1 24.936 -16.721 3.120 2 H2 MET 1 2H MET 1 26.498 -17.307 2.805 3 H3 MET 1 3H MET 1 25.148 -18.043 2.080 4 HA MET 1 HA MET 1 26.268 -15.356 1.529 5 HB2 MET 1 2HB MET 1 27.313 -17.299 0.391 6 HB3 MET 1 3HB MET 1 25.736 -17.758 -0.251 7 HG2 MET 1 2HG MET 1 25.585 -15.559 -1.398 8 HG3 MET 1 3HG MET 1 27.188 -15.148 -0.791 9 HE1 MET 1 3HE MET 1 28.832 -18.149 -1.209 10 HE2 MET 1 1HE MET 1 29.135 -16.417 -1.013 11 HE3 MET 1 2HE MET 1 29.653 -17.247 -2.477 12 H GLU 2 H GLU 2 24.512 -14.041 1.835 13 HA GLU 2 HA GLU 2 21.795 -14.692 1.311 14 HB2 GLU 2 2HB GLU 2 21.413 -12.241 1.365 15 HB3 GLU 2 3HB GLU 2 22.456 -12.769 2.685 16 HG2 GLU 2 2HG GLU 2 24.451 -12.110 1.378 17 HG3 GLU 2 3HG GLU 2 23.405 -11.563 0.069 18 H LYS 3 H LYS 3 20.509 -14.464 -0.492 19 HA LYS 3 HA LYS 3 21.900 -14.288 -3.089 20 HB2 LYS 3 2HB LYS 3 19.750 -15.039 -4.019 21 HB3 LYS 3 3HB LYS 3 20.201 -16.064 -2.656 22 HG2 LYS 3 2HG LYS 3 18.730 -14.696 -1.173 23 HG3 LYS 3 3HG LYS 3 18.227 -13.755 -2.578 24 HD2 LYS 3 2HD LYS 3 17.358 -15.799 -3.648 25 HD3 LYS 3 3HD LYS 3 17.864 -16.749 -2.251 26 HE2 LYS 3 2HE LYS 3 16.366 -15.421 -0.803 27 HE3 LYS 3 3HE LYS 3 15.856 -14.474 -2.202 28 HZ1 LYS 3 3HZ LYS 3 14.274 -16.217 -1.758 29 HZ2 LYS 3 1HZ LYS 3 15.489 -17.398 -1.832 30 HZ3 LYS 3 2HZ LYS 3 15.060 -16.532 -3.230 31 H ALA 4 H ALA 4 20.333 -12.191 -0.965 32 HA ALA 4 HA ALA 4 18.967 -10.489 -2.846 33 HB1 ALA 4 3HB ALA 4 18.628 -10.544 -0.332 34 HB2 ALA 4 1HB ALA 4 18.760 -8.932 -1.036 35 HB3 ALA 4 2HB ALA 4 20.135 -9.642 -0.191 36 H MET 5 H MET 5 19.666 -8.674 -3.911 37 HA MET 5 HA MET 5 22.378 -7.619 -3.493 38 HB2 MET 5 2HB MET 5 22.923 -7.932 -5.955 39 HB3 MET 5 3HB MET 5 22.927 -9.416 -5.001 40 HG2 MET 5 2HG MET 5 20.699 -9.991 -5.786 41 HG3 MET 5 3HG MET 5 20.556 -8.446 -6.625 42 HE1 MET 5 3HE MET 5 20.460 -8.702 -9.078 43 HE2 MET 5 1HE MET 5 19.781 -10.233 -8.507 44 HE3 MET 5 2HE MET 5 20.907 -10.213 -9.863 45 HA PRO 6 HA PRO 6 18.872 -4.862 -5.183 46 HB2 PRO 6 2HB PRO 6 18.500 -3.323 -2.930 47 HB3 PRO 6 3HB PRO 6 17.598 -4.817 -3.255 48 HG2 PRO 6 2HG PRO 6 19.995 -4.401 -1.515 49 HG3 PRO 6 3HG PRO 6 18.532 -5.352 -1.204 50 HD2 PRO 6 2HD PRO 6 20.851 -6.522 -2.001 51 HD3 PRO 6 3HD PRO 6 19.262 -7.151 -2.490 52 H GLU 7 H GLU 7 19.167 -2.734 -5.898 53 HA GLU 7 HA GLU 7 21.873 -1.753 -6.056 54 HB2 GLU 7 2HB GLU 7 19.203 -0.467 -6.692 55 HB3 GLU 7 3HB GLU 7 20.759 0.276 -7.069 56 HG2 GLU 7 2HG GLU 7 21.356 -1.640 -8.477 57 HG3 GLU 7 3HG GLU 7 19.841 -2.439 -8.060 58 H SER 8 H SER 8 19.036 -0.817 -4.146 59 HA SER 8 HA SER 8 20.801 0.418 -2.139 60 HB2 SER 8 2HB SER 8 18.645 2.070 -3.487 61 HB3 SER 8 3HB SER 8 19.740 2.606 -2.216 62 HG SER 8 HG SER 8 21.276 2.833 -3.647 63 H PHE 9 H PHE 9 19.466 -1.777 -1.623 64 HA PHE 9 HA PHE 9 17.632 -2.797 -0.531 65 HB2 PHE 9 2HB PHE 9 17.183 -1.463 1.677 66 HB3 PHE 9 3HB PHE 9 18.785 -2.143 1.396 67 HD1 PHE 9 HD2 PHE 9 20.633 -0.681 0.523 68 HD2 PHE 9 HD1 PHE 9 16.845 0.901 1.785 69 HE1 PHE 9 HE2 PHE 9 21.632 1.584 0.682 70 HE2 PHE 9 HE1 PHE 9 17.843 3.165 1.945 71 HZ PHE 9 HZ PHE 9 20.237 3.507 1.395 72 H VAL 10 H VAL 10 16.024 -2.480 -2.151 73 HA VAL 10 HA VAL 10 13.980 -0.396 -1.449 74 HB VAL 10 HB VAL 10 14.862 -1.374 -4.179 75 HG11 VAL 10 1HG1 VAL 10 13.032 0.294 -4.933 76 HG12 VAL 10 2HG1 VAL 10 12.395 0.134 -3.298 77 HG13 VAL 10 3HG1 VAL 10 12.499 -1.279 -4.344 78 HG21 VAL 10 3HG2 VAL 10 16.254 0.416 -3.401 79 HG22 VAL 10 1HG2 VAL 10 14.873 1.306 -2.762 80 HG23 VAL 10 2HG2 VAL 10 15.091 1.152 -4.503 81 H VAL 11 H VAL 11 11.939 -1.162 -1.209 82 HA VAL 11 HA VAL 11 11.474 -4.074 -1.781 83 HB VAL 11 HB VAL 11 10.411 -2.270 0.406 84 HG11 VAL 11 1HG1 VAL 11 8.510 -3.555 -0.269 85 HG12 VAL 11 2HG1 VAL 11 9.191 -4.419 1.108 86 HG13 VAL 11 3HG1 VAL 11 9.490 -4.998 -0.531 87 HG21 VAL 11 3HG2 VAL 11 12.615 -3.278 0.800 88 HG22 VAL 11 1HG2 VAL 11 11.982 -4.869 0.380 89 HG23 VAL 11 2HG2 VAL 11 11.415 -4.050 1.836 90 H ARG 12 H ARG 12 9.835 -4.560 -3.112 91 HA ARG 12 HA ARG 12 7.795 -2.458 -3.761 92 HB2 ARG 12 2HB ARG 12 9.234 -4.323 -5.666 93 HB3 ARG 12 3HB ARG 12 7.834 -3.345 -6.106 94 HG2 ARG 12 2HG ARG 12 9.047 -1.298 -5.572 95 HG3 ARG 12 3HG ARG 12 10.433 -2.234 -5.014 96 HD2 ARG 12 2HD ARG 12 10.839 -1.445 -7.296 97 HD3 ARG 12 3HD ARG 12 10.661 -3.199 -7.302 98 HE ARG 12 HE ARG 12 8.113 -1.967 -7.777 99 HH11 ARG 12 1HH2 ARG 12 11.190 -2.582 -9.221 100 HH12 ARG 12 2HH2 ARG 12 10.564 -2.621 -10.834 101 HH21 ARG 12 1HH1 ARG 12 7.294 -2.017 -9.870 102 HH22 ARG 12 2HH1 ARG 12 8.363 -2.301 -11.202 103 H ARG 13 H ARG 13 5.802 -3.221 -3.315 104 HA ARG 13 HA ARG 13 5.322 -6.184 -3.452 105 HB2 ARG 13 2HB ARG 13 4.812 -4.235 -1.292 106 HB3 ARG 13 3HB ARG 13 3.404 -5.217 -1.677 107 HG2 ARG 13 2HG ARG 13 4.606 -6.386 0.026 108 HG3 ARG 13 3HG ARG 13 4.934 -7.250 -1.475 109 HD2 ARG 13 2HD ARG 13 7.058 -6.040 -1.714 110 HD3 ARG 13 3HD ARG 13 6.731 -5.156 -0.226 111 HE ARG 13 HE ARG 13 7.217 -7.127 1.018 112 HH11 ARG 13 1HH2 ARG 13 7.112 -7.684 -2.400 113 HH12 ARG 13 2HH2 ARG 13 7.850 -9.245 -2.289 114 HH21 ARG 13 1HH1 ARG 13 8.166 -9.149 1.156 115 HH22 ARG 13 2HH1 ARG 13 8.447 -10.072 -0.280 116 H GLU 14 H GLU 14 3.227 -6.830 -4.043 117 HA GLU 14 HA GLU 14 1.503 -4.763 -5.317 118 HB2 GLU 14 2HB GLU 14 2.598 -7.255 -6.636 119 HB3 GLU 14 3HB GLU 14 1.246 -6.325 -7.281 120 HG2 GLU 14 2HG GLU 14 2.647 -4.324 -7.412 121 HG3 GLU 14 3HG GLU 14 3.999 -5.204 -6.700 122 H ALA 15 H ALA 15 -0.675 -5.284 -5.317 123 HA ALA 15 HA ALA 15 -1.567 -7.960 -4.481 124 HB1 ALA 15 3HB ALA 15 -2.148 -5.526 -2.769 125 HB2 ALA 15 1HB ALA 15 -1.075 -6.851 -2.322 126 HB3 ALA 15 2HB ALA 15 -2.804 -7.144 -2.519 127 H HIS 16 H HIS 16 -3.733 -8.312 -5.012 128 HA HIS 16 HA HIS 16 -5.019 -6.169 -6.662 129 HB2 HIS 16 2HB HIS 16 -6.379 -8.127 -7.546 130 HB3 HIS 16 3HB HIS 16 -4.661 -8.160 -7.942 131 HD1 HIS 16 HD1 HIS 16 -7.279 -9.952 -5.985 132 HD2 HIS 16 HD2 HIS 16 -3.144 -10.140 -6.487 133 HE1 HIS 16 HE1 HIS 16 -6.537 -12.160 -4.992 134 H LEU 17 H LEU 17 -6.638 -5.120 -5.661 135 HA LEU 17 HA LEU 17 -8.126 -6.506 -3.462 136 HB2 LEU 17 2HB LEU 17 -7.838 -3.551 -4.050 137 HB3 LEU 17 3HB LEU 17 -8.697 -4.255 -2.680 138 HG LEU 17 HG LEU 17 -6.295 -5.511 -2.378 139 HD11 LEU 17 1HD1 LEU 17 -5.449 -2.755 -3.280 140 HD12 LEU 17 2HD1 LEU 17 -5.476 -4.114 -4.402 141 HD13 LEU 17 3HD1 LEU 17 -4.445 -4.173 -2.973 142 HD21 LEU 17 3HD2 LEU 17 -7.477 -4.207 -0.651 143 HD22 LEU 17 1HD2 LEU 17 -6.927 -2.708 -1.398 144 HD23 LEU 17 2HD2 LEU 17 -5.759 -3.812 -0.673 145 H ALA 18 H ALA 18 -10.234 -6.871 -3.673 146 HA ALA 18 HA ALA 18 -11.534 -6.393 -6.229 147 HB1 ALA 18 3HB ALA 18 -11.856 -8.431 -4.752 148 HB2 ALA 18 1HB ALA 18 -13.351 -7.685 -5.317 149 HB3 ALA 18 2HB ALA 18 -12.793 -7.404 -3.668 150 H ALA 19 H ALA 19 -11.236 -3.976 -5.982 151 HA ALA 19 HA ALA 19 -13.755 -2.782 -5.364 152 HB1 ALA 19 3HB ALA 19 -13.444 -1.715 -3.326 153 HB2 ALA 19 1HB ALA 19 -11.689 -1.673 -3.487 154 HB3 ALA 19 2HB ALA 19 -12.496 -3.171 -3.031 155 HA PRO 20 HA PRO 20 -11.926 0.111 -8.163 156 HB2 PRO 20 2HB PRO 20 -13.450 2.373 -7.654 157 HB3 PRO 20 3HB PRO 20 -14.015 0.986 -8.609 158 HG2 PRO 20 2HG PRO 20 -14.551 1.660 -5.752 159 HG3 PRO 20 3HG PRO 20 -15.642 0.986 -6.975 160 HD2 PRO 20 2HD PRO 20 -14.476 -0.559 -5.054 161 HD3 PRO 20 3HD PRO 20 -14.860 -1.182 -6.671 162 HA PRO 21 HA PRO 21 -8.788 2.664 -6.308 163 HB2 PRO 21 2HB PRO 21 -9.860 5.020 -7.822 164 HB3 PRO 21 3HB PRO 21 -8.209 4.369 -7.778 165 HG2 PRO 21 2HG PRO 21 -9.811 3.991 -9.884 166 HG3 PRO 21 3HG PRO 21 -8.665 2.749 -9.348 167 HD2 PRO 21 2HD PRO 21 -11.635 2.818 -9.052 168 HD3 PRO 21 3HD PRO 21 -10.539 1.428 -9.212 169 H ALA 22 H ALA 22 -11.981 4.178 -6.552 170 HA ALA 22 HA ALA 22 -11.664 6.109 -4.464 171 HB1 ALA 22 3HB ALA 22 -13.531 6.108 -6.119 172 HB2 ALA 22 1HB ALA 22 -14.119 6.183 -4.455 173 HB3 ALA 22 2HB ALA 22 -14.176 4.663 -5.343 174 H ALA 23 H ALA 23 -12.843 2.763 -4.452 175 HA ALA 23 HA ALA 23 -13.546 2.669 -1.673 176 HB1 ALA 23 3HB ALA 23 -14.331 0.944 -3.189 177 HB2 ALA 23 1HB ALA 23 -13.297 0.182 -1.979 178 HB3 ALA 23 2HB ALA 23 -12.675 0.500 -3.599 179 H VAL 24 H VAL 24 -10.580 1.635 -3.371 180 HA VAL 24 HA VAL 24 -9.169 0.898 -0.970 181 HB VAL 24 HB VAL 24 -8.152 1.686 -3.714 182 HG11 VAL 24 1HG1 VAL 24 -6.088 0.392 -2.897 183 HG12 VAL 24 2HG1 VAL 24 -6.744 0.588 -1.273 184 HG13 VAL 24 3HG1 VAL 24 -6.316 2.007 -2.227 185 HG21 VAL 24 3HG2 VAL 24 -9.533 -0.340 -3.708 186 HG22 VAL 24 1HG2 VAL 24 -8.594 -0.999 -2.369 187 HG23 VAL 24 2HG2 VAL 24 -7.839 -0.775 -3.947 188 H PHE 25 H PHE 25 -9.186 3.855 -2.941 189 HA PHE 25 HA PHE 25 -7.221 5.289 -1.441 190 HB2 PHE 25 2HB PHE 25 -8.083 6.016 -3.661 191 HB3 PHE 25 3HB PHE 25 -9.630 6.400 -2.910 192 HD1 PHE 25 HD1 PHE 25 -5.988 7.194 -2.795 193 HD2 PHE 25 HD2 PHE 25 -9.968 8.475 -1.806 194 HE1 PHE 25 HE1 PHE 25 -5.105 9.408 -2.117 195 HE2 PHE 25 HE2 PHE 25 -9.084 10.692 -1.128 196 HZ PHE 25 HZ PHE 25 -6.653 11.157 -1.283 197 H ALA 26 H ALA 26 -10.756 5.153 -1.131 198 HA ALA 26 HA ALA 26 -11.038 7.012 1.000 199 HB1 ALA 26 3HB ALA 26 -13.178 5.883 1.446 200 HB2 ALA 26 1HB ALA 26 -12.660 4.510 0.468 201 HB3 ALA 26 2HB ALA 26 -12.939 6.076 -0.293 202 H LEU 27 H LEU 27 -10.593 3.478 1.107 203 HA LEU 27 HA LEU 27 -10.578 3.260 3.966 204 HB2 LEU 27 2HB LEU 27 -9.511 1.569 1.717 205 HB3 LEU 27 3HB LEU 27 -9.184 1.121 3.389 206 HG LEU 27 HG LEU 27 -12.017 1.749 2.565 207 HD11 LEU 27 1HD1 LEU 27 -12.274 -0.741 2.111 208 HD12 LEU 27 2HD1 LEU 27 -10.515 -0.826 2.025 209 HD13 LEU 27 3HD1 LEU 27 -11.408 0.163 0.870 210 HD21 LEU 27 3HD2 LEU 27 -12.587 0.436 4.447 211 HD22 LEU 27 1HD2 LEU 27 -11.129 1.271 4.982 212 HD23 LEU 27 2HD2 LEU 27 -11.038 -0.406 4.448 213 H MET 28 H MET 28 -8.016 3.791 1.602 214 HA MET 28 HA MET 28 -5.898 3.748 3.602 215 HB2 MET 28 2HB MET 28 -5.988 4.670 0.719 216 HB3 MET 28 3HB MET 28 -4.515 4.640 1.690 217 HG2 MET 28 2HG MET 28 -4.743 2.230 2.022 218 HG3 MET 28 3HG MET 28 -6.282 2.232 1.163 219 HE1 MET 28 3HE MET 28 -2.058 2.779 -0.418 220 HE2 MET 28 1HE MET 28 -2.681 2.968 1.227 221 HE3 MET 28 2HE MET 28 -2.866 4.271 0.052 222 H THR 29 H THR 29 -8.294 5.935 2.815 223 HA THR 29 HA THR 29 -6.719 8.219 3.956 224 HB THR 29 HB THR 29 -9.053 8.460 2.041 225 HG1 THR 29 HG1 THR 29 -6.725 7.576 1.452 226 HG21 THR 29 3HG2 THR 29 -8.381 10.772 1.904 227 HG22 THR 29 1HG2 THR 29 -6.922 10.455 2.843 228 HG23 THR 29 2HG2 THR 29 -8.503 10.360 3.615 229 H ASP 30 H ASP 30 -7.402 7.456 6.008 230 HA ASP 30 HA ASP 30 -9.418 8.794 7.261 231 HB2 ASP 30 2HB ASP 30 -11.146 6.792 7.553 232 HB3 ASP 30 3HB ASP 30 -11.295 7.892 6.185 233 HA PRO 31 HA PRO 31 -6.938 6.328 10.161 234 HB2 PRO 31 2HB PRO 31 -7.423 7.786 12.420 235 HB3 PRO 31 3HB PRO 31 -6.320 8.336 11.146 236 HG2 PRO 31 2HG PRO 31 -9.126 9.168 11.705 237 HG3 PRO 31 3HG PRO 31 -7.747 10.143 11.169 238 HD2 PRO 31 2HD PRO 31 -9.741 9.225 9.480 239 HD3 PRO 31 3HD PRO 31 -8.104 9.648 8.943 240 H GLU 32 H GLU 32 -10.273 7.291 10.866 241 HA GLU 32 HA GLU 32 -10.701 5.328 12.944 242 HB2 GLU 32 2HB GLU 32 -12.624 6.854 11.170 243 HB3 GLU 32 3HB GLU 32 -13.133 5.834 12.516 244 HG2 GLU 32 2HG GLU 32 -11.847 7.206 14.081 245 HG3 GLU 32 3HG GLU 32 -11.237 8.189 12.752 246 H LYS 33 H LYS 33 -11.434 5.381 9.456 247 HA LYS 33 HA LYS 33 -12.744 2.839 9.405 248 HB2 LYS 33 2HB LYS 33 -12.640 4.736 7.604 249 HB3 LYS 33 3HB LYS 33 -11.163 3.927 7.091 250 HG2 LYS 33 2HG LYS 33 -12.731 2.841 5.764 251 HG3 LYS 33 3HG LYS 33 -12.668 1.759 7.154 252 HD2 LYS 33 2HD LYS 33 -14.656 2.843 8.112 253 HD3 LYS 33 3HD LYS 33 -14.697 3.981 6.767 254 HE2 LYS 33 2HE LYS 33 -14.905 0.977 6.455 255 HE3 LYS 33 3HE LYS 33 -16.292 2.066 6.508 256 HZ1 LYS 33 3HZ LYS 33 -14.770 3.255 4.673 257 HZ2 LYS 33 1HZ LYS 33 -15.982 2.128 4.302 258 HZ3 LYS 33 2HZ LYS 33 -14.359 1.631 4.396 259 H ILE 34 H ILE 34 -9.372 3.789 8.862 260 HA ILE 34 HA ILE 34 -8.419 1.184 8.139 261 HB ILE 34 HB ILE 34 -7.021 3.556 9.402 262 HG12 ILE 34 2HG1 ILE 34 -6.837 2.467 6.583 263 HG13 ILE 34 3HG1 ILE 34 -7.999 3.709 7.046 264 HG21 ILE 34 1HG2 ILE 34 -5.953 0.898 8.431 265 HG22 ILE 34 2HG2 ILE 34 -5.661 1.693 9.978 266 HG23 ILE 34 3HG2 ILE 34 -4.938 2.338 8.505 267 HD11 ILE 34 3HD1 ILE 34 -5.996 4.771 6.135 268 HD12 ILE 34 1HD1 ILE 34 -4.979 3.899 7.281 269 HD13 ILE 34 2HD1 ILE 34 -6.109 5.125 7.859 270 H LEU 35 H LEU 35 -8.665 2.847 11.260 271 HA LEU 35 HA LEU 35 -7.392 0.866 12.859 272 HB2 LEU 35 2HB LEU 35 -9.551 2.903 13.413 273 HB3 LEU 35 3HB LEU 35 -8.955 1.843 14.685 274 HG LEU 35 HG LEU 35 -7.097 3.536 12.995 275 HD11 LEU 35 1HD1 LEU 35 -8.525 4.262 15.570 276 HD12 LEU 35 2HD1 LEU 35 -8.604 5.117 14.031 277 HD13 LEU 35 3HD1 LEU 35 -7.110 5.124 14.967 278 HD21 LEU 35 3HD2 LEU 35 -5.751 3.323 15.215 279 HD22 LEU 35 1HD2 LEU 35 -5.851 1.895 14.190 280 HD23 LEU 35 2HD2 LEU 35 -6.877 2.029 15.615 281 H ARG 36 H ARG 36 -10.138 0.573 11.005 282 HA ARG 36 HA ARG 36 -11.814 -1.058 12.689 283 HB2 ARG 36 2HB ARG 36 -12.586 0.055 10.599 284 HB3 ARG 36 3HB ARG 36 -11.568 -1.047 9.672 285 HG2 ARG 36 2HG ARG 36 -12.823 -2.969 10.488 286 HG3 ARG 36 3HG ARG 36 -13.794 -1.930 11.535 287 HD2 ARG 36 2HD ARG 36 -15.064 -2.419 9.512 288 HD3 ARG 36 3HD ARG 36 -14.603 -0.716 9.499 289 HE ARG 36 HE ARG 36 -12.599 -2.227 8.130 290 HH11 ARG 36 1HH2 ARG 36 -15.879 -1.173 7.862 291 HH12 ARG 36 2HH2 ARG 36 -15.861 -1.150 6.131 292 HH21 ARG 36 1HH1 ARG 36 -12.570 -2.199 5.882 293 HH22 ARG 36 2HH1 ARG 36 -13.992 -1.731 5.012 294 H TRP 37 H TRP 37 -9.304 -1.867 10.287 295 HA TRP 37 HA TRP 37 -9.465 -4.727 11.157 296 HB2 TRP 37 2HB TRP 37 -8.041 -5.115 9.093 297 HB3 TRP 37 3HB TRP 37 -9.670 -4.524 8.780 298 HD1 TRP 37 HD1 TRP 37 -9.907 -1.866 8.216 299 HE1 TRP 37 HE1 TRP 37 -8.259 -0.282 7.022 300 HE3 TRP 37 HE3 TRP 37 -5.597 -4.568 8.662 301 HZ2 TRP 37 HZ2 TRP 37 -5.483 -0.176 6.345 302 HZ3 TRP 37 HZ3 TRP 37 -3.470 -3.707 7.731 303 HH2 TRP 37 HH2 TRP 37 -3.405 -1.516 6.574 304 H MET 38 H MET 38 -7.903 -2.111 12.181 305 HA MET 38 HA MET 38 -5.654 -3.695 13.190 306 HB2 MET 38 2HB MET 38 -4.026 -1.801 12.369 307 HB3 MET 38 3HB MET 38 -4.473 -3.092 11.255 308 HG2 MET 38 2HG MET 38 -6.219 -1.679 10.277 309 HG3 MET 38 3HG MET 38 -5.829 -0.384 11.406 310 HE1 MET 38 3HE MET 38 -2.627 1.064 10.480 311 HE2 MET 38 1HE MET 38 -2.400 -0.439 11.383 312 HE3 MET 38 2HE MET 38 -3.767 0.614 11.744 313 H GLY 39 H GLY 39 -6.759 -3.147 15.162 314 HA2 GLY 39 2HA GLY 39 -6.965 -0.311 15.930 315 HA3 GLY 39 3HA GLY 39 -7.443 -1.691 16.918 316 H THR 40 H THR 40 -4.762 0.319 15.942 317 HA THR 40 HA THR 40 -3.364 -0.305 18.439 318 HB THR 40 HB THR 40 -1.856 -0.756 15.851 319 HG1 THR 40 HG1 THR 40 -2.512 -2.760 15.849 320 HG21 THR 40 3HG2 THR 40 -1.300 -1.707 18.670 321 HG22 THR 40 1HG2 THR 40 -0.668 -0.194 18.024 322 HG23 THR 40 2HG2 THR 40 -0.197 -1.729 17.293 323 H GLU 41 H GLU 41 -4.494 2.021 17.813 324 HA GLU 41 HA GLU 41 -4.126 4.309 17.500 325 HB2 GLU 41 2HB GLU 41 -2.504 3.845 19.319 326 HB3 GLU 41 3HB GLU 41 -1.259 3.531 18.111 327 HG2 GLU 41 2HG GLU 41 -1.486 5.818 17.251 328 HG3 GLU 41 3HG GLU 41 -2.784 6.136 18.402 329 H ALA 42 H ALA 42 -4.423 4.955 15.425 330 HA ALA 42 HA ALA 42 -2.067 4.857 13.592 331 HB1 ALA 42 3HB ALA 42 -3.323 3.964 11.780 332 HB2 ALA 42 1HB ALA 42 -4.849 4.165 12.639 333 HB3 ALA 42 2HB ALA 42 -3.702 2.932 13.161 334 H GLU 43 H GLU 43 -1.921 6.576 12.223 335 HA GLU 43 HA GLU 43 -4.153 8.485 11.961 336 HB2 GLU 43 2HB GLU 43 -2.962 9.197 14.033 337 HB3 GLU 43 3HB GLU 43 -1.472 9.339 13.098 338 HG2 GLU 43 2HG GLU 43 -2.543 11.013 11.635 339 HG3 GLU 43 3HG GLU 43 -4.039 10.864 12.556 340 H VAL 44 H VAL 44 -4.186 8.689 9.781 341 HA VAL 44 HA VAL 44 -1.668 8.514 8.224 342 HB VAL 44 HB VAL 44 -4.564 8.769 7.374 343 HG11 VAL 44 1HG1 VAL 44 -3.291 9.725 5.612 344 HG12 VAL 44 2HG1 VAL 44 -3.523 8.049 5.121 345 HG13 VAL 44 3HG1 VAL 44 -1.984 8.560 5.813 346 HG21 VAL 44 3HG2 VAL 44 -4.085 6.399 6.549 347 HG22 VAL 44 1HG2 VAL 44 -4.212 6.600 8.296 348 HG23 VAL 44 2HG2 VAL 44 -2.625 6.458 7.538 349 H GLU 45 H GLU 45 -4.411 10.542 7.396 350 HA GLU 45 HA GLU 45 -3.012 13.034 8.050 351 HB2 GLU 45 2HB GLU 45 -3.473 12.166 5.183 352 HB3 GLU 45 3HB GLU 45 -3.085 13.820 5.657 353 HG2 GLU 45 2HG GLU 45 -1.028 12.819 6.839 354 HG3 GLU 45 3HG GLU 45 -1.365 11.350 5.925 355 HA PRO 46 HA PRO 46 -7.667 13.138 7.918 356 HB2 PRO 46 2HB PRO 46 -8.041 14.164 10.443 357 HB3 PRO 46 3HB PRO 46 -7.907 12.428 10.109 358 HG2 PRO 46 2HG PRO 46 -5.882 14.295 11.225 359 HG3 PRO 46 3HG PRO 46 -6.153 12.580 11.579 360 HD2 PRO 46 2HD PRO 46 -4.135 13.547 9.928 361 HD3 PRO 46 3HD PRO 46 -4.763 11.888 9.870 362 H GLU 47 H GLU 47 -5.345 15.124 7.363 363 HA GLU 47 HA GLU 47 -7.011 17.348 6.745 364 HB2 GLU 47 2HB GLU 47 -6.036 19.043 8.268 365 HB3 GLU 47 3HB GLU 47 -6.925 17.808 9.157 366 HG2 GLU 47 2HG GLU 47 -4.943 17.963 10.391 367 HG3 GLU 47 3HG GLU 47 -4.599 16.608 9.316 368 HA PRO 48 HA PRO 48 -3.677 18.086 3.869 369 HB2 PRO 48 2HB PRO 48 -3.915 20.975 4.666 370 HB3 PRO 48 3HB PRO 48 -3.886 20.254 3.042 371 HG2 PRO 48 2HG PRO 48 -6.164 21.086 4.129 372 HG3 PRO 48 3HG PRO 48 -6.101 19.615 3.144 373 HD2 PRO 48 2HD PRO 48 -6.381 19.876 6.107 374 HD3 PRO 48 3HD PRO 48 -6.988 18.619 5.008 375 H GLY 49 H GLY 49 -1.489 17.984 4.047 376 HA2 GLY 49 2HA GLY 49 0.691 18.352 4.866 377 HA3 GLY 49 3HA GLY 49 0.040 19.585 5.948 378 H GLY 50 H GLY 50 -1.560 16.557 6.037 379 HA2 GLY 50 2HA GLY 50 -0.970 16.156 8.822 380 HA3 GLY 50 3HA GLY 50 -1.771 14.991 7.776 381 H LEU 51 H LEU 51 0.387 14.669 9.837 382 HA LEU 51 HA LEU 51 2.618 13.613 8.150 383 HB2 LEU 51 2HB LEU 51 3.604 13.334 10.616 384 HB3 LEU 51 3HB LEU 51 3.655 14.886 9.781 385 HG LEU 51 HG LEU 51 1.190 14.265 11.387 386 HD11 LEU 51 1HD1 LEU 51 3.821 15.155 12.609 387 HD12 LEU 51 2HD1 LEU 51 3.027 13.606 12.891 388 HD13 LEU 51 3HD1 LEU 51 2.271 15.098 13.448 389 HD21 LEU 51 3HD2 LEU 51 2.767 16.845 11.303 390 HD22 LEU 51 1HD2 LEU 51 1.037 16.617 11.571 391 HD23 LEU 51 2HD2 LEU 51 1.720 16.398 9.960 392 H TYR 52 H TYR 52 3.283 11.476 8.346 393 HA TYR 52 HA TYR 52 1.192 9.579 9.113 394 HB2 TYR 52 2HB TYR 52 3.945 9.292 7.902 395 HB3 TYR 52 3HB TYR 52 2.941 7.900 8.306 396 HD1 TYR 52 HD1 TYR 52 3.063 11.027 6.282 397 HD2 TYR 52 HD2 TYR 52 1.115 7.253 6.920 398 HE1 TYR 52 HE1 TYR 52 1.812 11.310 4.154 399 HE2 TYR 52 HE2 TYR 52 -0.137 7.537 4.800 400 HH TYR 52 HH TYR 52 -0.606 10.283 3.297 401 H LEU 53 H LEU 53 1.077 8.536 11.002 402 HA LEU 53 HA LEU 53 3.470 7.863 12.529 403 HB2 LEU 53 2HB LEU 53 3.163 10.134 13.348 404 HB3 LEU 53 3HB LEU 53 1.452 9.835 13.647 405 HG LEU 53 HG LEU 53 1.998 8.186 15.371 406 HD11 LEU 53 1HD1 LEU 53 4.797 8.617 14.335 407 HD12 LEU 53 2HD1 LEU 53 3.961 7.106 14.681 408 HD13 LEU 53 3HD1 LEU 53 4.552 8.106 16.006 409 HD21 LEU 53 3HD2 LEU 53 1.968 10.645 15.931 410 HD22 LEU 53 1HD2 LEU 53 3.725 10.641 15.783 411 HD23 LEU 53 2HD2 LEU 53 2.944 9.666 17.027 412 H VAL 54 H VAL 54 3.064 5.835 13.205 413 HA VAL 54 HA VAL 54 0.292 5.133 14.103 414 HB VAL 54 HB VAL 54 0.484 2.974 12.968 415 HG11 VAL 54 1HG1 VAL 54 -0.507 4.856 11.742 416 HG12 VAL 54 2HG1 VAL 54 0.384 3.809 10.636 417 HG13 VAL 54 3HG1 VAL 54 1.089 5.336 11.165 418 HG21 VAL 54 3HG2 VAL 54 3.200 4.063 12.191 419 HG22 VAL 54 1HG2 VAL 54 2.417 2.775 11.274 420 HG23 VAL 54 2HG2 VAL 54 2.826 2.525 12.970 421 H ASN 55 H ASN 55 0.268 4.193 16.033 422 HA ASN 55 HA ASN 55 1.166 3.512 18.120 423 HB2 ASN 55 2HB ASN 55 0.671 1.410 16.971 424 HB3 ASN 55 3HB ASN 55 2.248 1.448 16.182 425 HD21 ASN 55 1HD2 ASN 55 0.719 1.246 19.420 426 HD22 ASN 55 2HD2 ASN 55 2.028 0.456 20.158 427 H VAL 56 H VAL 56 3.869 1.926 16.800 428 HA VAL 56 HA VAL 56 5.818 2.986 18.420 429 HB VAL 56 HB VAL 56 6.290 1.131 16.941 430 HG11 VAL 56 1HG1 VAL 56 6.555 1.440 14.523 431 HG12 VAL 56 2HG1 VAL 56 6.147 3.149 14.677 432 HG13 VAL 56 3HG1 VAL 56 4.931 1.918 15.013 433 HG21 VAL 56 3HG2 VAL 56 8.142 2.728 17.684 434 HG22 VAL 56 1HG2 VAL 56 8.065 3.420 16.063 435 HG23 VAL 56 2HG2 VAL 56 8.509 1.727 16.280 436 H THR 57 H THR 57 7.213 4.731 18.396 437 HA THR 57 HA THR 57 6.901 6.778 16.263 438 HB THR 57 HB THR 57 5.288 7.337 18.087 439 HG1 THR 57 HG1 THR 57 5.840 9.193 17.291 440 HG21 THR 57 3HG2 THR 57 7.731 7.806 19.802 441 HG22 THR 57 1HG2 THR 57 6.793 6.315 19.890 442 HG23 THR 57 2HG2 THR 57 6.037 7.858 20.287 443 H GLY 58 H GLY 58 8.635 8.347 16.291 444 HA2 GLY 58 2HA GLY 58 10.866 8.160 18.100 445 HA3 GLY 58 3HA GLY 58 11.208 7.267 16.618 446 H ALA 59 H ALA 59 12.103 9.952 17.860 447 HA ALA 59 HA ALA 59 12.681 12.094 17.105 448 HB1 ALA 59 3HB ALA 59 13.855 10.501 15.465 449 HB2 ALA 59 1HB ALA 59 13.637 12.170 14.939 450 HB3 ALA 59 2HB ALA 59 12.567 10.904 14.331 451 H ARG 60 H ARG 60 11.969 12.946 14.292 452 HA ARG 60 HA ARG 60 9.057 13.487 14.726 453 HB2 ARG 60 2HB ARG 60 10.665 15.414 15.305 454 HB3 ARG 60 3HB ARG 60 10.987 15.501 13.572 455 HG2 ARG 60 2HG ARG 60 9.215 17.013 13.762 456 HG3 ARG 60 3HG ARG 60 8.345 15.529 13.385 457 HD2 ARG 60 2HD ARG 60 7.926 15.150 15.785 458 HD3 ARG 60 3HD ARG 60 8.828 16.612 16.175 459 HE ARG 60 HE ARG 60 6.973 17.894 15.461 460 HH11 ARG 60 1HH2 ARG 60 6.676 14.556 14.583 461 HH12 ARG 60 2HH2 ARG 60 5.041 14.722 14.039 462 HH21 ARG 60 1HH1 ARG 60 4.862 18.105 14.760 463 HH22 ARG 60 2HH1 ARG 60 4.016 16.728 14.138 464 H PHE 61 H PHE 61 7.823 13.097 13.004 465 HA PHE 61 HA PHE 61 9.041 12.085 10.540 466 HB2 PHE 61 2HB PHE 61 6.198 12.450 11.504 467 HB3 PHE 61 3HB PHE 61 6.565 11.892 9.873 468 HD1 PHE 61 HD1 PHE 61 6.798 11.081 13.477 469 HD2 PHE 61 HD2 PHE 61 7.503 9.695 9.472 470 HE1 PHE 61 HE1 PHE 61 7.145 8.778 14.333 471 HE2 PHE 61 HE2 PHE 61 7.850 7.394 10.328 472 HZ PHE 61 HZ PHE 61 7.672 6.934 12.758 473 H ALA 62 H ALA 62 8.284 15.120 11.701 474 HA ALA 62 HA ALA 62 7.117 16.446 9.476 475 HB1 ALA 62 3HB ALA 62 7.469 17.399 11.794 476 HB2 ALA 62 1HB ALA 62 7.908 18.491 10.479 477 HB3 ALA 62 2HB ALA 62 9.163 17.626 11.364 478 H ARG 63 H ARG 63 9.216 18.501 9.180 479 HA ARG 63 HA ARG 63 10.869 19.038 7.626 480 HB2 ARG 63 2HB ARG 63 11.857 16.332 8.561 481 HB3 ARG 63 3HB ARG 63 12.770 17.365 7.463 482 HG2 ARG 63 2HG ARG 63 12.733 19.180 9.132 483 HG3 ARG 63 3HG ARG 63 11.820 18.147 10.233 484 HD2 ARG 63 2HD ARG 63 13.680 16.509 10.213 485 HD3 ARG 63 3HD ARG 63 14.601 17.582 9.164 486 HE ARG 63 HE ARG 63 14.086 17.988 12.039 487 HH11 ARG 63 1HH2 ARG 63 15.173 19.277 9.015 488 HH12 ARG 63 2HH2 ARG 63 16.097 20.544 9.754 489 HH21 ARG 63 1HH1 ARG 63 15.288 19.619 12.989 490 HH22 ARG 63 2HH1 ARG 63 16.162 20.737 11.997 491 H GLY 64 H GLY 64 11.669 18.562 5.475 492 HA2 GLY 64 2HA GLY 64 11.490 17.698 3.303 493 HA3 GLY 64 3HA GLY 64 10.791 16.240 3.999 494 H SER 65 H SER 65 9.583 16.704 1.822 495 HA SER 65 HA SER 65 6.926 17.698 2.568 496 HB2 SER 65 2HB SER 65 6.739 19.442 1.004 497 HB3 SER 65 3HB SER 65 8.353 19.683 1.667 498 HG SER 65 HG SER 65 9.200 19.089 -0.185 499 H PHE 66 H PHE 66 5.349 17.246 0.808 500 HA PHE 66 HA PHE 66 5.718 14.614 -0.246 501 HB2 PHE 66 2HB PHE 66 3.566 15.072 -1.460 502 HB3 PHE 66 3HB PHE 66 3.489 15.410 0.270 503 HD1 PHE 66 HD1 PHE 66 3.854 16.967 -3.087 504 HD2 PHE 66 HD2 PHE 66 3.128 17.628 1.097 505 HE1 PHE 66 HE1 PHE 66 3.204 19.312 -3.569 506 HE2 PHE 66 HE2 PHE 66 2.480 19.974 0.612 507 HZ PHE 66 HZ PHE 66 2.519 20.815 -1.720 508 H ARG 67 H ARG 67 5.922 13.940 -2.435 509 HA ARG 67 HA ARG 67 7.342 15.910 -4.182 510 HB2 ARG 67 2HB ARG 67 7.231 12.881 -4.160 511 HB3 ARG 67 3HB ARG 67 8.052 13.816 -5.409 512 HG2 ARG 67 2HG ARG 67 9.521 14.819 -3.729 513 HG3 ARG 67 3HG ARG 67 8.666 13.967 -2.442 514 HD2 ARG 67 2HD ARG 67 10.737 12.776 -3.017 515 HD3 ARG 67 3HD ARG 67 9.336 11.800 -3.457 516 HE ARG 67 HE ARG 67 10.121 13.391 -5.704 517 HH11 ARG 67 1HH2 ARG 67 11.099 10.709 -3.767 518 HH12 ARG 67 2HH2 ARG 67 11.957 9.929 -5.053 519 HH21 ARG 67 1HH1 ARG 67 11.233 12.388 -7.384 520 HH22 ARG 67 2HH1 ARG 67 12.033 10.880 -7.099 521 H GLU 68 H GLU 68 4.573 13.833 -3.883 522 HA GLU 68 HA GLU 68 3.283 15.171 -6.148 523 HB2 GLU 68 2HB GLU 68 4.550 13.343 -7.275 524 HB3 GLU 68 3HB GLU 68 3.726 12.171 -6.246 525 HG2 GLU 68 2HG GLU 68 1.555 12.871 -7.145 526 HG3 GLU 68 3HG GLU 68 2.342 14.095 -8.139 527 H VAL 69 H VAL 69 1.071 15.195 -5.784 528 HA VAL 69 HA VAL 69 -0.075 13.228 -3.878 529 HB VAL 69 HB VAL 69 -0.437 16.217 -3.513 530 HG11 VAL 69 1HG1 VAL 69 -1.498 15.575 -1.420 531 HG12 VAL 69 2HG1 VAL 69 -1.089 13.881 -1.688 532 HG13 VAL 69 3HG1 VAL 69 -2.273 14.676 -2.725 533 HG21 VAL 69 3HG2 VAL 69 1.860 15.685 -2.971 534 HG22 VAL 69 1HG2 VAL 69 1.374 14.221 -2.120 535 HG23 VAL 69 2HG2 VAL 69 0.983 15.804 -1.446 536 H VAL 70 H VAL 70 -1.612 12.360 -5.101 537 HA VAL 70 HA VAL 70 -3.622 14.163 -6.335 538 HB VAL 70 HB VAL 70 -2.528 11.783 -7.851 539 HG11 VAL 70 1HG1 VAL 70 -3.608 12.975 -9.753 540 HG12 VAL 70 2HG1 VAL 70 -4.160 14.225 -8.639 541 HG13 VAL 70 3HG1 VAL 70 -4.772 12.579 -8.489 542 HG21 VAL 70 3HG2 VAL 70 -1.729 14.704 -7.988 543 HG22 VAL 70 1HG2 VAL 70 -1.298 13.502 -9.206 544 HG23 VAL 70 2HG2 VAL 70 -0.690 13.344 -7.558 545 HA PRO 71 HA PRO 71 -6.049 10.993 -4.237 546 HB2 PRO 71 2HB PRO 71 -8.552 11.804 -4.980 547 HB3 PRO 71 3HB PRO 71 -7.576 12.670 -3.774 548 HG2 PRO 71 2HG PRO 71 -8.006 13.298 -6.663 549 HG3 PRO 71 3HG PRO 71 -7.948 14.391 -5.270 550 HD2 PRO 71 2HD PRO 71 -5.827 14.026 -6.976 551 HD3 PRO 71 3HD PRO 71 -5.637 14.481 -5.268 552 H VAL 72 H VAL 72 -7.438 9.204 -4.692 553 HA VAL 72 HA VAL 72 -7.618 7.216 -5.984 554 HB VAL 72 HB VAL 72 -9.507 7.506 -7.592 555 HG11 VAL 72 1HG1 VAL 72 -9.777 7.330 -5.085 556 HG12 VAL 72 2HG1 VAL 72 -11.108 8.147 -5.903 557 HG13 VAL 72 3HG1 VAL 72 -9.893 9.087 -5.036 558 HG21 VAL 72 3HG2 VAL 72 -8.734 9.801 -8.370 559 HG22 VAL 72 1HG2 VAL 72 -9.341 10.440 -6.843 560 HG23 VAL 72 2HG2 VAL 72 -10.451 9.687 -7.988 561 H HIS 73 H HIS 73 -5.239 8.489 -6.766 562 HA HIS 73 HA HIS 73 -5.056 7.532 -9.556 563 HB2 HIS 73 2HB HIS 73 -5.603 9.953 -9.750 564 HB3 HIS 73 3HB HIS 73 -4.193 10.326 -8.761 565 HD1 HIS 73 HD1 HIS 73 -4.987 8.453 -11.981 566 HD2 HIS 73 HD2 HIS 73 -1.879 10.625 -10.251 567 HE1 HIS 73 HE1 HIS 73 -3.174 8.630 -13.739 568 H ARG 74 H ARG 74 -2.847 9.671 -7.793 569 HA ARG 74 HA ARG 74 -1.085 7.374 -7.139 570 HB2 ARG 74 2HB ARG 74 -0.385 8.060 -9.396 571 HB3 ARG 74 3HB ARG 74 -0.200 9.723 -8.841 572 HG2 ARG 74 2HG ARG 74 1.583 9.100 -7.339 573 HG3 ARG 74 3HG ARG 74 1.297 7.384 -7.629 574 HD2 ARG 74 2HD ARG 74 2.138 9.343 -9.790 575 HD3 ARG 74 3HD ARG 74 3.261 8.315 -8.901 576 HE ARG 74 HE ARG 74 1.350 6.555 -9.898 577 HH11 ARG 74 1HH2 ARG 74 3.478 8.952 -11.189 578 HH12 ARG 74 2HH2 ARG 74 3.673 8.140 -12.704 579 HH21 ARG 74 1HH1 ARG 74 1.603 5.495 -11.863 580 HH22 ARG 74 2HH1 ARG 74 2.614 6.187 -13.087 581 H LEU 75 H LEU 75 0.158 7.751 -5.344 582 HA LEU 75 HA LEU 75 0.262 10.516 -4.238 583 HB2 LEU 75 2HB LEU 75 -1.664 9.441 -3.164 584 HB3 LEU 75 3HB LEU 75 -0.674 8.047 -2.736 585 HG LEU 75 HG LEU 75 0.732 9.459 -1.293 586 HD11 LEU 75 1HD1 LEU 75 -0.274 11.843 -0.859 587 HD12 LEU 75 2HD1 LEU 75 -0.986 11.641 -2.459 588 HD13 LEU 75 3HD1 LEU 75 0.766 11.599 -2.262 589 HD21 LEU 75 3HD2 LEU 75 -1.018 10.064 0.392 590 HD22 LEU 75 1HD2 LEU 75 -1.224 8.443 -0.269 591 HD23 LEU 75 2HD2 LEU 75 -2.251 9.761 -0.831 592 H ALA 76 H ALA 76 2.245 10.962 -3.395 593 HA ALA 76 HA ALA 76 3.988 8.770 -2.446 594 HB1 ALA 76 3HB ALA 76 5.894 9.788 -3.854 595 HB2 ALA 76 1HB ALA 76 4.620 10.557 -4.798 596 HB3 ALA 76 2HB ALA 76 4.713 8.798 -4.715 597 H TYR 77 H TYR 77 4.672 9.454 -0.525 598 HA TYR 77 HA TYR 77 5.226 12.372 -0.146 599 HB2 TYR 77 2HB TYR 77 3.272 11.102 1.154 600 HB3 TYR 77 3HB TYR 77 4.602 10.600 2.194 601 HD1 TYR 77 HD1 TYR 77 6.340 12.627 2.719 602 HD2 TYR 77 HD2 TYR 77 2.181 13.080 1.740 603 HE1 TYR 77 HE1 TYR 77 6.335 14.865 3.778 604 HE2 TYR 77 HE2 TYR 77 2.176 15.314 2.807 605 HH TYR 77 HH TYR 77 4.281 17.137 3.260 606 H SER 78 H SER 78 7.254 12.873 0.411 607 HA SER 78 HA SER 78 9.140 10.654 1.059 608 HB2 SER 78 2HB SER 78 9.826 12.019 -0.815 609 HB3 SER 78 3HB SER 78 9.568 13.496 0.108 610 HG SER 78 HG SER 78 11.514 11.474 0.498 611 H PHE 79 H PHE 79 10.038 10.523 3.038 612 HA PHE 79 HA PHE 79 9.824 12.859 4.900 613 HB2 PHE 79 2HB PHE 79 9.100 9.974 5.412 614 HB3 PHE 79 3HB PHE 79 9.468 11.094 6.724 615 HD1 PHE 79 HD2 PHE 79 8.228 13.429 6.581 616 HD2 PHE 79 HD1 PHE 79 6.876 9.827 4.670 617 HE1 PHE 79 HE2 PHE 79 5.932 14.354 6.469 618 HE2 PHE 79 HE1 PHE 79 4.582 10.754 4.551 619 HZ PHE 79 HZ PHE 79 4.105 13.015 5.456 620 H GLY 80 H GLY 80 11.450 12.968 6.468 621 HA2 GLY 80 2HA GLY 80 13.570 12.583 7.408 622 HA3 GLY 80 3HA GLY 80 13.604 11.021 6.590 623 H TRP 81 H TRP 81 15.137 10.858 5.082 624 HA TRP 81 HA TRP 81 16.851 11.514 3.615 625 HB2 TRP 81 2HB TRP 81 14.516 13.234 2.726 626 HB3 TRP 81 3HB TRP 81 16.023 13.109 1.816 627 HD1 TRP 81 HD1 TRP 81 12.783 11.358 2.419 628 HE1 TRP 81 HE1 TRP 81 12.741 9.118 1.150 629 HE3 TRP 81 HE3 TRP 81 17.691 11.025 1.048 630 HZ2 TRP 81 HZ2 TRP 81 14.549 7.406 -0.270 631 HZ3 TRP 81 HZ3 TRP 81 18.503 9.083 -0.260 632 HH2 TRP 81 HH2 TRP 81 16.941 7.275 -0.919 633 H ASP 82 H ASP 82 16.291 13.149 6.184 634 HA ASP 82 HA ASP 82 17.115 15.859 5.692 635 HB2 ASP 82 2HB ASP 82 16.050 15.147 7.808 636 HB3 ASP 82 3HB ASP 82 17.462 14.160 8.180 637 H GLY 83 H GLY 83 18.898 12.880 6.366 638 HA2 GLY 83 2HA GLY 83 21.131 12.475 5.512 639 HA3 GLY 83 3HA GLY 83 21.387 14.219 5.413 640 H SER 84 H SER 84 20.246 14.662 8.098 641 HA SER 84 HA SER 84 22.606 13.765 9.711 642 HB2 SER 84 2HB SER 84 20.757 16.136 9.852 643 HB3 SER 84 3HB SER 84 21.697 15.653 11.262 644 HG SER 84 HG SER 84 23.327 15.603 9.198 645 H GLU 85 H GLU 85 19.082 14.328 10.085 646 HA GLU 85 HA GLU 85 18.959 12.800 12.542 647 HB2 GLU 85 2HB GLU 85 16.771 13.745 10.671 648 HB3 GLU 85 3HB GLU 85 16.489 13.030 12.258 649 HG2 GLU 85 2HG GLU 85 18.135 15.532 11.763 650 HG3 GLU 85 3HG GLU 85 16.460 15.528 12.313 651 H VAL 86 H VAL 86 18.856 10.683 12.740 652 HA VAL 86 HA VAL 86 19.135 8.795 10.716 653 HB VAL 86 HB VAL 86 18.059 7.164 12.393 654 HG11 VAL 86 1HG1 VAL 86 20.494 7.638 12.227 655 HG12 VAL 86 2HG1 VAL 86 19.983 7.297 13.881 656 HG13 VAL 86 3HG1 VAL 86 20.291 8.959 13.378 657 HG21 VAL 86 3HG2 VAL 86 16.681 9.064 13.439 658 HG22 VAL 86 1HG2 VAL 86 18.178 9.578 14.217 659 HG23 VAL 86 2HG2 VAL 86 17.505 7.986 14.564 660 H VAL 87 H VAL 87 17.418 6.964 10.369 661 HA VAL 87 HA VAL 87 14.749 8.178 9.749 662 HB VAL 87 HB VAL 87 14.895 6.582 7.671 663 HG11 VAL 87 1HG1 VAL 87 15.932 8.391 6.357 664 HG12 VAL 87 2HG1 VAL 87 16.544 9.120 7.843 665 HG13 VAL 87 3HG1 VAL 87 14.807 9.038 7.551 666 HG21 VAL 87 3HG2 VAL 87 17.110 5.614 8.578 667 HG22 VAL 87 1HG2 VAL 87 17.849 7.130 8.058 668 HG23 VAL 87 2HG2 VAL 87 17.082 6.071 6.875 669 HA PRO 88 HA PRO 88 14.355 4.324 12.323 670 HB2 PRO 88 2HB PRO 88 11.858 5.815 13.043 671 HB3 PRO 88 3HB PRO 88 13.012 4.975 14.101 672 HG2 PRO 88 2HG PRO 88 12.952 7.633 13.964 673 HG3 PRO 88 3HG PRO 88 14.478 6.750 14.138 674 HD2 PRO 88 2HD PRO 88 13.335 8.068 11.696 675 HD3 PRO 88 3HD PRO 88 15.031 7.932 12.213 676 HA PRO 89 HA PRO 89 11.327 2.114 9.959 677 HB2 PRO 89 2HB PRO 89 9.353 1.964 12.202 678 HB3 PRO 89 3HB PRO 89 10.114 0.651 11.279 679 HG2 PRO 89 2HG PRO 89 10.897 1.147 13.750 680 HG3 PRO 89 3HG PRO 89 12.089 0.771 12.493 681 HD2 PRO 89 2HD PRO 89 11.346 3.459 13.625 682 HD3 PRO 89 3HD PRO 89 12.963 2.794 13.279 683 H GLY 90 H GLY 90 9.664 2.492 8.538 684 HA2 GLY 90 2HA GLY 90 7.788 3.530 7.562 685 HA3 GLY 90 3HA GLY 90 7.435 4.278 9.121 686 H SER 91 H SER 91 10.302 5.292 9.184 687 HA SER 91 HA SER 91 9.736 7.802 7.752 688 HB2 SER 91 2HB SER 91 12.149 7.048 9.416 689 HB3 SER 91 3HB SER 91 11.680 8.674 8.924 690 HG SER 91 HG SER 91 11.011 8.058 11.082 691 H SER 92 H SER 92 10.040 7.529 5.576 692 HA SER 92 HA SER 92 12.709 7.528 4.536 693 HB2 SER 92 2HB SER 92 12.982 5.395 3.622 694 HB3 SER 92 3HB SER 92 12.217 5.010 5.161 695 HG SER 92 HG SER 92 11.325 4.616 2.648 696 H LEU 93 H LEU 93 11.654 6.018 2.082 697 HA LEU 93 HA LEU 93 10.007 8.277 1.012 698 HB2 LEU 93 2HB LEU 93 12.225 7.935 -0.063 699 HB3 LEU 93 3HB LEU 93 11.754 6.288 -0.472 700 HG LEU 93 HG LEU 93 9.882 7.150 -1.827 701 HD11 LEU 93 1HD1 LEU 93 10.139 9.762 -2.308 702 HD12 LEU 93 2HD1 LEU 93 10.819 9.766 -0.680 703 HD13 LEU 93 3HD1 LEU 93 9.177 9.183 -0.949 704 HD21 LEU 93 3HD2 LEU 93 12.641 8.254 -2.409 705 HD22 LEU 93 1HD2 LEU 93 11.314 8.351 -3.567 706 HD23 LEU 93 2HD2 LEU 93 11.910 6.778 -3.038 707 H VAL 94 H VAL 94 7.917 7.785 0.675 708 HA VAL 94 HA VAL 94 7.190 4.925 0.113 709 HB VAL 94 HB VAL 94 5.675 7.085 1.595 710 HG11 VAL 94 1HG1 VAL 94 4.796 4.412 0.487 711 HG12 VAL 94 2HG1 VAL 94 4.007 5.979 0.317 712 HG13 VAL 94 3HG1 VAL 94 3.984 5.146 1.871 713 HG21 VAL 94 3HG2 VAL 94 7.482 5.715 2.761 714 HG22 VAL 94 1HG2 VAL 94 6.486 4.293 2.456 715 HG23 VAL 94 2HG2 VAL 94 5.874 5.596 3.477 716 H GLU 95 H GLU 95 6.166 4.529 -1.739 717 HA GLU 95 HA GLU 95 4.872 6.784 -3.226 718 HB2 GLU 95 2HB GLU 95 6.753 4.680 -4.313 719 HB3 GLU 95 3HB GLU 95 5.752 5.718 -5.332 720 HG2 GLU 95 2HG GLU 95 6.813 7.711 -4.391 721 HG3 GLU 95 3HG GLU 95 7.775 6.710 -3.305 722 H ILE 96 H ILE 96 2.898 6.253 -4.071 723 HA ILE 96 HA ILE 96 2.083 3.365 -4.053 724 HB ILE 96 HB ILE 96 0.431 5.754 -3.179 725 HG12 ILE 96 2HG1 ILE 96 1.284 3.306 -1.603 726 HG13 ILE 96 3HG1 ILE 96 2.176 4.828 -1.569 727 HG21 ILE 96 1HG2 ILE 96 -1.025 4.236 -4.311 728 HG22 ILE 96 2HG2 ILE 96 -1.211 3.871 -2.595 729 HG23 ILE 96 3HG2 ILE 96 -0.220 2.830 -3.618 730 HD11 ILE 96 3HD1 ILE 96 0.337 6.002 -0.609 731 HD12 ILE 96 1HD1 ILE 96 0.443 4.487 0.289 732 HD13 ILE 96 2HD1 ILE 96 -0.781 4.686 -0.964 733 H ASP 97 H ASP 97 1.298 2.712 -5.969 734 HA ASP 97 HA ASP 97 0.220 4.759 -7.891 735 HB2 ASP 97 2HB ASP 97 2.021 2.385 -8.441 736 HB3 ASP 97 3HB ASP 97 1.155 3.257 -9.703 737 H LEU 98 H LEU 98 -1.734 4.198 -8.789 738 HA LEU 98 HA LEU 98 -2.868 1.510 -8.085 739 HB2 LEU 98 2HB LEU 98 -4.313 4.056 -8.875 740 HB3 LEU 98 3HB LEU 98 -5.066 2.555 -8.333 741 HG LEU 98 HG LEU 98 -3.171 4.262 -6.689 742 HD11 LEU 98 1HD1 LEU 98 -5.291 4.550 -5.289 743 HD12 LEU 98 2HD1 LEU 98 -6.175 3.916 -6.677 744 HD13 LEU 98 3HD1 LEU 98 -5.256 5.414 -6.827 745 HD21 LEU 98 3HD2 LEU 98 -4.186 2.662 -4.860 746 HD22 LEU 98 1HD2 LEU 98 -2.867 2.082 -5.870 747 HD23 LEU 98 2HD2 LEU 98 -4.525 1.605 -6.232 748 H ILE 99 H ILE 99 -3.179 0.109 -9.703 749 HA ILE 99 HA ILE 99 -3.441 1.145 -12.504 750 HB ILE 99 HB ILE 99 -1.809 -1.226 -11.561 751 HG12 ILE 99 2HG1 ILE 99 -0.947 1.256 -13.073 752 HG13 ILE 99 3HG1 ILE 99 -0.838 1.115 -11.320 753 HG21 ILE 99 1HG2 ILE 99 -1.212 -1.275 -14.063 754 HG22 ILE 99 2HG2 ILE 99 -2.633 -0.259 -14.305 755 HG23 ILE 99 3HG2 ILE 99 -2.810 -1.874 -13.621 756 HD11 ILE 99 3HD1 ILE 99 0.571 -0.910 -11.586 757 HD12 ILE 99 1HD1 ILE 99 1.304 0.500 -12.350 758 HD13 ILE 99 2HD1 ILE 99 0.495 -0.718 -13.337 759 H GLU 100 H GLU 100 -5.166 0.348 -13.549 760 HA GLU 100 HA GLU 100 -6.948 -1.542 -12.224 761 HB2 GLU 100 2HB GLU 100 -7.032 -0.181 -14.927 762 HB3 GLU 100 3HB GLU 100 -8.296 -1.270 -14.358 763 HG2 GLU 100 2HG GLU 100 -8.696 0.169 -12.418 764 HG3 GLU 100 3HG GLU 100 -7.382 1.234 -12.911 765 H GLN 101 H GLN 101 -6.815 -3.699 -12.408 766 HA GLN 101 HA GLN 101 -6.248 -5.013 -14.921 767 HB2 GLN 101 2HB GLN 101 -3.940 -4.421 -14.344 768 HB3 GLN 101 3HB GLN 101 -4.133 -5.166 -12.756 769 HG2 GLN 101 2HG GLN 101 -4.430 -7.351 -13.738 770 HG3 GLN 101 3HG GLN 101 -4.506 -6.668 -15.362 771 HE21 GLN 101 1HE2 GLN 101 -2.545 -8.658 -14.513 772 HE22 GLN 101 2HE2 GLN 101 -1.017 -7.932 -14.627 773 H GLY 102 H GLY 102 -6.720 -7.230 -14.821 774 HA2 GLY 102 2HA GLY 102 -7.583 -9.223 -13.925 775 HA3 GLY 102 3HA GLY 102 -7.171 -8.635 -12.312 776 H GLY 103 H GLY 103 -9.027 -6.516 -14.265 777 HA2 GLY 103 2HA GLY 103 -11.327 -5.965 -14.269 778 HA3 GLY 103 3HA GLY 103 -11.653 -7.500 -13.460 779 H GLY 104 H GLY 104 -9.537 -6.734 -11.419 780 HA2 GLY 104 2HA GLY 104 -11.362 -5.155 -9.673 781 HA3 GLY 104 3HA GLY 104 -10.009 -6.142 -9.126 782 H THR 105 H THR 105 -8.334 -4.972 -8.407 783 HA THR 105 HA THR 105 -7.422 -2.597 -9.901 784 HB THR 105 HB THR 105 -8.237 -2.405 -6.987 785 HG1 THR 105 HG1 THR 105 -9.426 -0.638 -8.539 786 HG21 THR 105 3HG2 THR 105 -7.029 -0.411 -8.921 787 HG22 THR 105 1HG2 THR 105 -6.282 -1.044 -7.455 788 HG23 THR 105 2HG2 THR 105 -7.688 0.016 -7.343 789 H LEU 106 H LEU 106 -5.267 -2.774 -9.996 790 HA LEU 106 HA LEU 106 -3.856 -4.511 -8.064 791 HB2 LEU 106 2HB LEU 106 -3.371 -4.765 -10.473 792 HB3 LEU 106 3HB LEU 106 -2.858 -3.080 -10.548 793 HG LEU 106 HG LEU 106 -1.054 -3.568 -8.907 794 HD11 LEU 106 1HD1 LEU 106 -0.621 -6.162 -8.666 795 HD12 LEU 106 2HD1 LEU 106 -2.352 -6.286 -8.976 796 HD13 LEU 106 3HD1 LEU 106 -1.765 -5.365 -7.590 797 HD21 LEU 106 3HD2 LEU 106 -0.985 -5.533 -11.212 798 HD22 LEU 106 1HD2 LEU 106 0.387 -4.753 -10.428 799 HD23 LEU 106 2HD2 LEU 106 -0.730 -3.799 -11.405 800 H LEU 107 H LEU 107 -2.720 -3.693 -6.401 801 HA LEU 107 HA LEU 107 -2.171 -0.743 -6.366 802 HB2 LEU 107 2HB LEU 107 -3.738 -1.586 -4.640 803 HB3 LEU 107 3HB LEU 107 -2.470 -2.654 -4.041 804 HG LEU 107 HG LEU 107 -1.630 0.196 -4.317 805 HD11 LEU 107 1HD1 LEU 107 -3.808 -0.614 -2.389 806 HD12 LEU 107 2HD1 LEU 107 -3.823 0.711 -3.552 807 HD13 LEU 107 3HD1 LEU 107 -2.775 0.793 -2.134 808 HD21 LEU 107 3HD2 LEU 107 -1.509 -1.535 -1.843 809 HD22 LEU 107 1HD2 LEU 107 -0.397 -0.265 -2.361 810 HD23 LEU 107 2HD2 LEU 107 -0.416 -1.816 -3.197 811 H ARG 108 H ARG 108 -0.100 -0.168 -6.418 812 HA ARG 108 HA ARG 108 1.996 -2.225 -5.805 813 HB2 ARG 108 2HB ARG 108 1.936 -1.432 -8.154 814 HB3 ARG 108 3HB ARG 108 2.177 0.219 -7.584 815 HG2 ARG 108 2HG ARG 108 4.324 -0.454 -6.553 816 HG3 ARG 108 3HG ARG 108 4.078 -2.101 -7.130 817 HD2 ARG 108 2HD ARG 108 4.218 0.326 -8.941 818 HD3 ARG 108 3HD ARG 108 5.584 -0.735 -8.601 819 HE ARG 108 HE ARG 108 3.422 -2.351 -9.492 820 HH11 ARG 108 1HH2 ARG 108 5.595 0.093 -10.607 821 HH12 ARG 108 2HH2 ARG 108 5.568 -0.457 -12.248 822 HH21 ARG 108 1HH1 ARG 108 3.380 -3.068 -11.622 823 HH22 ARG 108 2HH1 ARG 108 4.315 -2.242 -12.822 824 H LEU 109 H LEU 109 3.179 -1.841 -4.068 825 HA LEU 109 HA LEU 109 3.388 0.965 -3.022 826 HB2 LEU 109 2HB LEU 109 2.027 -0.590 -1.617 827 HB3 LEU 109 3HB LEU 109 3.452 -1.615 -1.438 828 HG LEU 109 HG LEU 109 3.907 1.269 -0.797 829 HD11 LEU 109 1HD1 LEU 109 2.197 -0.463 1.003 830 HD12 LEU 109 2HD1 LEU 109 1.665 0.980 0.141 831 HD13 LEU 109 3HD1 LEU 109 2.868 1.115 1.422 832 HD21 LEU 109 3HD2 LEU 109 5.138 0.254 1.110 833 HD22 LEU 109 1HD2 LEU 109 5.644 -0.431 -0.434 834 HD23 LEU 109 2HD2 LEU 109 4.561 -1.339 0.619 835 H THR 110 H THR 110 5.423 1.717 -2.943 836 HA THR 110 HA THR 110 7.690 -0.246 -3.015 837 HB THR 110 HB THR 110 7.508 2.463 -4.354 838 HG1 THR 110 HG1 THR 110 6.691 1.304 -5.885 839 HG21 THR 110 3HG2 THR 110 9.696 1.592 -5.393 840 HG22 THR 110 1HG2 THR 110 9.723 0.429 -4.068 841 HG23 THR 110 2HG2 THR 110 9.773 2.159 -3.726 842 H HIS 111 H HIS 111 9.040 -0.078 -1.345 843 HA HIS 111 HA HIS 111 9.087 2.471 0.238 844 HB2 HIS 111 2HB HIS 111 8.151 0.247 1.283 845 HB3 HIS 111 3HB HIS 111 9.851 -0.211 1.396 846 HD1 HIS 111 HD1 HIS 111 7.389 1.216 3.438 847 HD2 HIS 111 HD2 HIS 111 11.302 2.348 2.555 848 HE1 HIS 111 HE1 HIS 111 8.125 2.764 5.303 849 H SER 112 H SER 112 10.945 3.509 -0.101 850 HA SER 112 HA SER 112 13.488 1.940 -0.281 851 HB2 SER 112 2HB SER 112 12.671 4.283 -2.010 852 HB3 SER 112 3HB SER 112 14.278 3.567 -1.984 853 HG SER 112 HG SER 112 12.175 2.802 -3.383 854 H GLY 113 H GLY 113 15.367 3.184 0.339 855 HA2 GLY 113 2HA GLY 113 16.477 5.012 1.411 856 HA3 GLY 113 3HA GLY 113 14.908 5.746 1.760 857 H LEU 114 H LEU 114 15.775 2.380 2.391 858 HA LEU 114 HA LEU 114 15.113 2.841 5.234 859 HB2 LEU 114 2HB LEU 114 15.494 0.331 3.608 860 HB3 LEU 114 3HB LEU 114 15.244 0.310 5.356 861 HG LEU 114 HG LEU 114 13.358 1.775 3.499 862 HD11 LEU 114 1HD1 LEU 114 11.908 -0.243 3.588 863 HD12 LEU 114 2HD1 LEU 114 13.217 -1.122 4.381 864 HD13 LEU 114 3HD1 LEU 114 13.420 -0.540 2.728 865 HD21 LEU 114 3HD2 LEU 114 13.233 0.762 6.355 866 HD22 LEU 114 1HD2 LEU 114 11.770 1.145 5.450 867 HD23 LEU 114 2HD2 LEU 114 12.961 2.402 5.764 868 HA PRO 115 HA PRO 115 19.264 2.932 6.856 869 HB2 PRO 115 2HB PRO 115 18.389 0.626 8.570 870 HB3 PRO 115 3HB PRO 115 19.184 2.140 9.045 871 HG2 PRO 115 2HG PRO 115 16.558 1.709 9.430 872 HG3 PRO 115 3HG PRO 115 17.211 3.317 9.064 873 HD2 PRO 115 2HD PRO 115 15.604 1.521 7.331 874 HD3 PRO 115 3HD PRO 115 15.832 3.281 7.250 875 H SER 116 H SER 116 18.041 -0.437 6.597 876 HA SER 116 HA SER 116 20.263 -1.149 4.816 877 HB2 SER 116 2HB SER 116 20.062 -2.409 7.566 878 HB3 SER 116 3HB SER 116 21.142 -2.938 6.279 879 HG SER 116 HG SER 116 21.093 -0.397 7.553 880 H ALA 117 H ALA 117 20.108 -3.525 4.228 881 HA ALA 117 HA ALA 117 17.439 -4.174 3.441 882 HB1 ALA 117 3HB ALA 117 19.986 -5.799 3.549 883 HB2 ALA 117 1HB ALA 117 19.260 -5.038 2.135 884 HB3 ALA 117 2HB ALA 117 18.483 -6.435 2.883 885 H GLU 118 H GLU 118 19.255 -4.818 6.309 886 HA GLU 118 HA GLU 118 17.956 -7.150 7.287 887 HB2 GLU 118 2HB GLU 118 19.086 -4.748 8.747 888 HB3 GLU 118 3HB GLU 118 18.589 -6.236 9.553 889 HG2 GLU 118 2HG GLU 118 20.218 -7.514 8.239 890 HG3 GLU 118 3HG GLU 118 20.683 -6.053 7.367 891 H GLN 119 H GLN 119 17.198 -3.726 7.948 892 HA GLN 119 HA GLN 119 14.768 -4.302 9.383 893 HB2 GLN 119 2HB GLN 119 16.028 -2.152 9.575 894 HB3 GLN 119 3HB GLN 119 15.531 -1.756 7.931 895 HG2 GLN 119 2HG GLN 119 13.200 -1.757 8.558 896 HG3 GLN 119 3HG GLN 119 13.583 -2.379 10.162 897 HE21 GLN 119 1HE2 GLN 119 13.607 -0.778 11.731 898 HE22 GLN 119 2HE2 GLN 119 13.996 0.853 11.462 899 H CYS 120 H CYS 120 15.481 -3.635 5.991 900 HA CYS 120 HA CYS 120 12.780 -3.318 5.101 901 HB2 CYS 120 2HB CYS 120 13.679 -3.331 2.961 902 HB3 CYS 120 3HB CYS 120 15.155 -3.047 3.874 903 HG CYS 120 HG CYS 120 15.591 -5.070 2.250 904 H ALA 121 H ALA 121 14.843 -6.171 5.463 905 HA ALA 121 HA ALA 121 13.112 -8.104 4.322 906 HB1 ALA 121 3HB ALA 121 15.469 -8.542 5.021 907 HB2 ALA 121 1HB ALA 121 14.352 -9.742 5.676 908 HB3 ALA 121 2HB ALA 121 14.960 -8.443 6.704 909 H GLY 122 H GLY 122 13.398 -7.030 7.705 910 HA2 GLY 122 2HA GLY 122 11.236 -8.636 8.704 911 HA3 GLY 122 3HA GLY 122 11.868 -7.184 9.482 912 H HIS 123 H HIS 123 11.384 -5.437 7.248 913 HA HIS 123 HA HIS 123 8.663 -4.691 7.803 914 HB2 HIS 123 2HB HIS 123 10.589 -3.171 7.029 915 HB3 HIS 123 3HB HIS 123 10.259 -3.778 5.406 916 HD1 HIS 123 HD1 HIS 123 7.195 -3.661 7.310 917 HD2 HIS 123 HD2 HIS 123 9.391 -0.892 5.099 918 HE1 HIS 123 HE1 HIS 123 5.637 -1.723 6.844 919 H GLU 124 H GLU 124 10.221 -6.363 5.095 920 HA GLU 124 HA GLU 124 8.033 -6.483 3.301 921 HB2 GLU 124 2HB GLU 124 10.289 -8.410 3.878 922 HB3 GLU 124 3HB GLU 124 9.099 -8.730 2.617 923 HG2 GLU 124 2HG GLU 124 9.682 -6.663 1.479 924 HG3 GLU 124 3HG GLU 124 10.776 -6.210 2.787 925 H GLU 125 H GLU 125 8.885 -8.625 6.004 926 HA GLU 125 HA GLU 125 6.723 -10.473 5.677 927 HB2 GLU 125 2HB GLU 125 8.169 -9.565 8.185 928 HB3 GLU 125 3HB GLU 125 7.117 -10.977 8.098 929 HG2 GLU 125 2HG GLU 125 9.601 -10.569 6.405 930 HG3 GLU 125 3HG GLU 125 9.534 -11.560 7.864 931 H GLY 126 H GLY 126 6.998 -7.442 7.490 932 HA2 GLY 126 2HA GLY 126 4.408 -7.519 8.712 933 HA3 GLY 126 3HA GLY 126 5.353 -6.057 8.427 934 H TRP 127 H TRP 127 5.547 -6.169 5.634 935 HA TRP 127 HA TRP 127 3.079 -4.987 4.811 936 HB2 TRP 127 2HB TRP 127 5.474 -6.059 3.324 937 HB3 TRP 127 3HB TRP 127 4.076 -5.441 2.446 938 HD1 TRP 127 HD1 TRP 127 7.259 -4.318 3.786 939 HE1 TRP 127 HE1 TRP 127 7.312 -1.754 4.052 940 HE3 TRP 127 HE3 TRP 127 2.281 -3.280 3.329 941 HZ2 TRP 127 HZ2 TRP 127 5.482 0.448 4.073 942 HZ3 TRP 127 HZ3 TRP 127 1.463 -0.945 3.478 943 HH2 TRP 127 HH2 TRP 127 3.056 0.919 3.850 944 H ALA 128 H ALA 128 4.348 -8.265 4.503 945 HA ALA 128 HA ALA 128 2.387 -9.328 2.740 946 HB1 ALA 128 3HB ALA 128 4.518 -10.452 3.616 947 HB2 ALA 128 1HB ALA 128 3.087 -11.482 3.514 948 HB3 ALA 128 2HB ALA 128 3.596 -10.826 5.070 949 H HIS 129 H HIS 129 2.412 -9.110 6.293 950 HA HIS 129 HA HIS 129 -0.146 -10.372 6.680 951 HB2 HIS 129 2HB HIS 129 1.446 -8.422 8.355 952 HB3 HIS 129 3HB HIS 129 -0.059 -9.153 8.909 953 HD1 HIS 129 HD1 HIS 129 3.494 -10.035 7.979 954 HD2 HIS 129 HD2 HIS 129 0.155 -11.848 9.692 955 HE1 HIS 129 HE1 HIS 129 4.272 -12.273 8.874 956 H TYR 130 H TYR 130 0.806 -6.944 6.545 957 HA TYR 130 HA TYR 130 -1.832 -5.872 6.862 958 HB2 TYR 130 2HB TYR 130 0.770 -4.833 5.771 959 HB3 TYR 130 3HB TYR 130 -0.689 -3.861 5.588 960 HD1 TYR 130 HD1 TYR 130 0.928 -5.963 8.254 961 HD2 TYR 130 HD2 TYR 130 -1.047 -2.275 7.267 962 HE1 TYR 130 HE1 TYR 130 1.131 -5.218 10.612 963 HE2 TYR 130 HE2 TYR 130 -0.841 -1.533 9.620 964 HH TYR 130 HH TYR 130 0.099 -1.968 11.605 965 H LEU 131 H LEU 131 0.069 -6.576 3.944 966 HA LEU 131 HA LEU 131 -1.896 -5.668 2.072 967 HB2 LEU 131 2HB LEU 131 0.318 -7.719 1.877 968 HB3 LEU 131 3HB LEU 131 -0.658 -7.245 0.489 969 HG LEU 131 HG LEU 131 0.828 -5.237 2.205 970 HD11 LEU 131 1HD1 LEU 131 2.591 -5.258 0.485 971 HD12 LEU 131 2HD1 LEU 131 1.779 -6.589 -0.339 972 HD13 LEU 131 3HD1 LEU 131 2.459 -6.828 1.272 973 HD21 LEU 131 3HD2 LEU 131 -0.571 -5.174 -0.477 974 HD22 LEU 131 1HD2 LEU 131 0.694 -4.003 -0.106 975 HD23 LEU 131 2HD2 LEU 131 -0.758 -4.075 0.887 976 H GLY 132 H GLY 132 -1.287 -8.843 3.504 977 HA2 GLY 132 2HA GLY 132 -3.324 -10.236 2.032 978 HA3 GLY 132 3HA GLY 132 -2.600 -10.779 3.544 979 H ARG 133 H ARG 133 -3.326 -8.786 5.288 980 HA ARG 133 HA ARG 133 -6.083 -9.438 5.843 981 HB2 ARG 133 2HB ARG 133 -4.282 -8.848 7.550 982 HB3 ARG 133 3HB ARG 133 -4.501 -7.168 7.064 983 HG2 ARG 133 2HG ARG 133 -6.879 -7.280 7.670 984 HG3 ARG 133 3HG ARG 133 -6.697 -8.976 8.112 985 HD2 ARG 133 2HD ARG 133 -5.147 -6.721 9.422 986 HD3 ARG 133 3HD ARG 133 -6.633 -7.406 10.078 987 HE ARG 133 HE ARG 133 -4.846 -9.553 9.614 988 HH11 ARG 133 1HH2 ARG 133 -5.140 -6.707 11.555 989 HH12 ARG 133 2HH2 ARG 133 -4.223 -7.361 12.872 990 HH21 ARG 133 1HH1 ARG 133 -3.656 -10.405 11.322 991 HH22 ARG 133 2HH1 ARG 133 -3.386 -9.449 12.741 992 H LEU 134 H LEU 134 -4.475 -6.553 4.574 993 HA LEU 134 HA LEU 134 -6.763 -4.855 4.538 994 HB2 LEU 134 2HB LEU 134 -4.459 -4.022 4.220 995 HB3 LEU 134 3HB LEU 134 -4.368 -4.869 2.678 996 HG LEU 134 HG LEU 134 -6.233 -3.496 1.808 997 HD11 LEU 134 1HD1 LEU 134 -6.727 -1.390 3.310 998 HD12 LEU 134 2HD1 LEU 134 -6.191 -2.434 4.627 999 HD13 LEU 134 3HD1 LEU 134 -7.572 -2.902 3.635 1000 HD21 LEU 134 3HD2 LEU 134 -3.868 -2.737 1.562 1001 HD22 LEU 134 1HD2 LEU 134 -4.040 -1.804 3.049 1002 HD23 LEU 134 2HD2 LEU 134 -5.005 -1.391 1.632 1003 H THR 135 H THR 135 -5.529 -7.163 2.155 1004 HA THR 135 HA THR 135 -7.294 -6.510 0.015 1005 HB THR 135 HB THR 135 -6.305 -9.287 0.695 1006 HG1 THR 135 HG1 THR 135 -4.843 -7.739 -1.035 1007 HG21 THR 135 3HG2 THR 135 -6.310 -9.554 -1.755 1008 HG22 THR 135 1HG2 THR 135 -6.891 -7.900 -1.937 1009 HG23 THR 135 2HG2 THR 135 -7.912 -9.114 -1.169 1010 H GLU 136 H GLU 136 -7.665 -8.809 2.703 1011 HA GLU 136 HA GLU 136 -10.218 -9.836 1.895 1012 HB2 GLU 136 2HB GLU 136 -9.000 -9.568 4.661 1013 HB3 GLU 136 3HB GLU 136 -10.417 -10.545 4.276 1014 HG2 GLU 136 2HG GLU 136 -7.674 -10.918 3.038 1015 HG3 GLU 136 3HG GLU 136 -8.325 -11.893 4.354 1016 H VAL 137 H VAL 137 -9.273 -7.016 3.797 1017 HA VAL 137 HA VAL 137 -11.879 -6.333 4.781 1018 HB VAL 137 HB VAL 137 -9.463 -4.616 4.155 1019 HG11 VAL 137 1HG1 VAL 137 -10.630 -3.000 5.762 1020 HG12 VAL 137 2HG1 VAL 137 -12.092 -3.947 5.486 1021 HG13 VAL 137 3HG1 VAL 137 -11.314 -3.115 4.141 1022 HG21 VAL 137 3HG2 VAL 137 -9.291 -6.387 5.943 1023 HG22 VAL 137 1HG2 VAL 137 -10.575 -5.550 6.813 1024 HG23 VAL 137 2HG2 VAL 137 -9.033 -4.743 6.523 1025 H ALA 138 H ALA 138 -10.140 -5.366 1.828 1026 HA ALA 138 HA ALA 138 -12.088 -3.561 0.809 1027 HB1 ALA 138 3HB ALA 138 -9.746 -3.975 -0.099 1028 HB2 ALA 138 1HB ALA 138 -11.010 -3.838 -1.323 1029 HB3 ALA 138 2HB ALA 138 -10.394 -5.425 -0.864 1030 H ALA 139 H ALA 139 -11.886 -7.079 0.672 1031 HA ALA 139 HA ALA 139 -14.176 -7.315 -1.145 1032 HB1 ALA 139 3HB ALA 139 -12.531 -9.073 -1.242 1033 HB2 ALA 139 1HB ALA 139 -13.980 -9.774 -0.515 1034 HB3 ALA 139 2HB ALA 139 -12.613 -9.318 0.502 1035 H GLY 140 H GLY 140 -13.819 -6.553 2.076 1036 HA2 GLY 140 2HA GLY 140 -15.690 -6.025 3.496 1037 HA3 GLY 140 3HA GLY 140 -16.672 -7.192 2.617 1038 H ARG 141 H ARG 141 -16.156 -6.912 5.509 1039 HA ARG 141 HA ARG 141 -15.839 -8.285 7.347 1040 HB2 ARG 141 2HB ARG 141 -17.301 -9.769 5.941 1041 HB3 ARG 141 3HB ARG 141 -15.834 -10.546 5.345 1042 HG2 ARG 141 2HG ARG 141 -16.635 -11.863 7.190 1043 HG3 ARG 141 3HG ARG 141 -15.194 -11.012 7.725 1044 HD2 ARG 141 2HD ARG 141 -17.811 -9.638 8.197 1045 HD3 ARG 141 3HD ARG 141 -17.441 -11.043 9.200 1046 HE ARG 141 HE ARG 141 -15.156 -9.347 9.157 1047 HH11 ARG 141 1HH2 ARG 141 -18.406 -9.494 10.286 1048 HH12 ARG 141 2HH2 ARG 141 -18.116 -8.463 11.647 1049 HH21 ARG 141 1HH1 ARG 141 -14.763 -7.999 10.910 1050 HH22 ARG 141 2HH1 ARG 141 -16.052 -7.617 12.000 1051 H ASP 142 H ASP 142 -14.130 -8.991 8.533 1052 HA ASP 142 HA ASP 142 -11.926 -10.489 7.918 1053 HB2 ASP 142 2HB ASP 142 -11.002 -9.325 6.138 1054 HB3 ASP 142 3HB ASP 142 -11.706 -7.794 6.624 1055 HA PRO 143 HA PRO 143 -10.861 -7.092 11.327 1056 HB2 PRO 143 2HB PRO 143 -13.683 -6.302 11.938 1057 HB3 PRO 143 3HB PRO 143 -12.216 -5.303 11.907 1058 HG2 PRO 143 2HG PRO 143 -13.995 -5.130 9.954 1059 HG3 PRO 143 3HG PRO 143 -12.257 -5.083 9.602 1060 HD2 PRO 143 2HD PRO 143 -14.183 -7.367 9.275 1061 HD3 PRO 143 3HD PRO 143 -12.876 -6.835 8.201 1062 H GLY 144 H GLY 144 -10.642 -7.846 13.420 1063 HA2 GLY 144 2HA GLY 144 -12.361 -8.916 15.218 1064 HA3 GLY 144 3HA GLY 144 -12.148 -10.280 14.117 1065 HA PRO 145 HA PRO 145 -8.366 -11.342 16.064 1066 HB2 PRO 145 2HB PRO 145 -6.625 -11.892 14.012 1067 HB3 PRO 145 3HB PRO 145 -7.995 -12.937 14.437 1068 HG2 PRO 145 2HG PRO 145 -7.758 -10.934 12.238 1069 HG3 PRO 145 3HG PRO 145 -8.535 -12.527 12.234 1070 HD2 PRO 145 2HD PRO 145 -9.936 -10.163 12.475 1071 HD3 PRO 145 3HD PRO 145 -10.511 -11.708 13.138 1072 H ASP 146 H ASP 146 -6.306 -10.593 16.748 1073 HA ASP 146 HA ASP 146 -5.022 -8.352 15.385 1074 HB2 ASP 146 2HB ASP 146 -5.269 -6.774 17.290 1075 HB3 ASP 146 3HB ASP 146 -6.820 -7.160 16.552 1076 HA PRO 147 HA PRO 147 -2.532 -11.165 18.294 1077 HB2 PRO 147 2HB PRO 147 -1.023 -12.400 16.343 1078 HB3 PRO 147 3HB PRO 147 -2.566 -13.041 16.946 1079 HG2 PRO 147 2HG PRO 147 -2.019 -11.463 14.469 1080 HG3 PRO 147 3HG PRO 147 -3.075 -12.868 14.695 1081 HD2 PRO 147 2HD PRO 147 -4.060 -10.330 14.584 1082 HD3 PRO 147 3HD PRO 147 -4.810 -11.589 15.591 1083 H PHE 148 H PHE 148 -0.363 -10.769 18.885 1084 HA PHE 148 HA PHE 148 0.727 -8.236 17.973 1085 HB2 PHE 148 2HB PHE 148 1.644 -10.336 19.937 1086 HB3 PHE 148 3HB PHE 148 2.639 -8.930 19.555 1087 HD1 PHE 148 HD1 PHE 148 1.888 -6.658 20.126 1088 HD2 PHE 148 HD2 PHE 148 -0.453 -10.106 21.169 1089 HE1 PHE 148 HE1 PHE 148 0.540 -5.273 21.679 1090 HE2 PHE 148 HE2 PHE 148 -1.801 -8.719 22.723 1091 HZ PHE 148 HZ PHE 148 -1.305 -6.303 22.976 1092 H TYR 149 H TYR 149 2.335 -7.874 16.573 1093 HA TYR 149 HA TYR 149 3.142 -9.839 14.664 1094 HB2 TYR 149 2HB TYR 149 3.157 -7.440 14.163 1095 HB3 TYR 149 3HB TYR 149 4.387 -7.173 15.398 1096 HD1 TYR 149 HD2 TYR 149 3.702 -8.777 12.126 1097 HD2 TYR 149 HD1 TYR 149 6.701 -7.651 14.987 1098 HE1 TYR 149 HE2 TYR 149 5.476 -9.299 10.472 1099 HE2 TYR 149 HE1 TYR 149 8.475 -8.173 13.334 1100 HH TYR 149 HH TYR 149 8.127 -10.020 10.796 1101 H GLY 150 H GLY 150 4.851 -8.432 17.443 1102 HA2 GLY 150 2HA GLY 150 7.307 -9.825 17.078 1103 HA3 GLY 150 3HA GLY 150 6.742 -9.169 18.610 1104 H ARG 151 H ARG 151 8.112 -11.703 18.008 1105 HA ARG 151 HA ARG 151 8.004 -13.966 18.583 1106 HB2 ARG 151 2HB ARG 151 6.096 -12.692 20.553 1107 HB3 ARG 151 3HB ARG 151 6.491 -14.410 20.609 1108 HG2 ARG 151 2HG ARG 151 8.889 -13.862 20.799 1109 HG3 ARG 151 3HG ARG 151 8.504 -12.143 20.733 1110 HD2 ARG 151 2HD ARG 151 7.415 -14.027 22.846 1111 HD3 ARG 151 3HD ARG 151 8.847 -13.024 23.073 1112 HE ARG 151 HE ARG 151 6.771 -11.304 22.226 1113 HH11 ARG 151 1HH2 ARG 151 7.533 -13.412 24.861 1114 HH12 ARG 151 2HH2 ARG 151 6.638 -12.487 26.020 1115 HH21 ARG 151 1HH1 ARG 151 5.609 -10.104 23.729 1116 HH22 ARG 151 2HH1 ARG 151 5.552 -10.621 25.381 1117 H ARG 152 H ARG 152 6.425 -15.884 18.851 1118 HA ARG 152 HA ARG 152 3.916 -15.479 17.275 1119 HB2 ARG 152 2HB ARG 152 6.071 -17.527 16.676 1120 HB3 ARG 152 3HB ARG 152 4.463 -17.533 15.952 1121 HG2 ARG 152 2HG ARG 152 4.853 -15.322 14.982 1122 HG3 ARG 152 3HG ARG 152 6.429 -15.230 15.765 1123 HD2 ARG 152 2HD ARG 152 6.736 -15.899 13.442 1124 HD3 ARG 152 3HD ARG 152 7.133 -17.263 14.485 1125 HE ARG 152 HE ARG 152 4.369 -17.408 13.737 1126 HH11 ARG 152 1HH2 ARG 152 7.573 -17.753 12.488 1127 HH12 ARG 152 2HH2 ARG 152 7.113 -18.915 11.288 1128 HH21 ARG 152 1HH1 ARG 152 3.766 -18.913 12.179 1129 HH22 ARG 152 2HH1 ARG 152 4.964 -19.569 11.114 1130 H LEU 153 H LEU 153 2.272 -16.889 17.830 1131 HA LEU 153 HA LEU 153 2.794 -19.160 19.628 1132 HB2 LEU 153 2HB LEU 153 0.838 -18.006 21.141 1133 HB3 LEU 153 3HB LEU 153 2.554 -17.801 21.483 1134 HG LEU 153 HG LEU 153 2.560 -15.715 20.128 1135 HD11 LEU 153 1HD1 LEU 153 0.691 -16.250 18.614 1136 HD12 LEU 153 2HD1 LEU 153 0.371 -14.740 19.470 1137 HD13 LEU 153 3HD1 LEU 153 -0.431 -16.229 19.976 1138 HD21 LEU 153 3HD2 LEU 153 1.479 -14.359 21.776 1139 HD22 LEU 153 1HD2 LEU 153 2.065 -15.795 22.617 1140 HD23 LEU 153 2HD2 LEU 153 0.358 -15.655 22.199 1141 H GLU 154 H GLU 154 1.900 -20.108 17.618 1142 HA GLU 154 HA GLU 154 -1.092 -19.860 17.472 1143 HB2 GLU 154 2HB GLU 154 0.920 -20.464 15.288 1144 HB3 GLU 154 3HB GLU 154 -0.825 -20.596 15.087 1145 HG2 GLU 154 2HG GLU 154 -0.398 -18.422 14.298 1146 HG3 GLU 154 3HG GLU 154 -0.870 -18.123 15.967 1147 H HIS 155 H HIS 155 -2.122 -21.639 18.120 1148 HA HIS 155 HA HIS 155 -0.969 -24.308 17.543 1149 HB2 HIS 155 2HB HIS 155 -1.504 -25.017 19.926 1150 HB3 HIS 155 3HB HIS 155 -0.108 -23.957 19.749 1151 HD1 HIS 155 HD1 HIS 155 -3.458 -24.161 21.302 1152 HD2 HIS 155 HD2 HIS 155 -0.618 -21.201 20.558 1153 HE1 HIS 155 HE1 HIS 155 -4.103 -22.173 22.734 1154 H HIS 156 H HIS 156 -2.522 -25.718 16.974 1155 HA HIS 156 HA HIS 156 -5.240 -24.865 16.588 1156 HB2 HIS 156 2HB HIS 156 -4.043 -26.611 15.227 1157 HB3 HIS 156 3HB HIS 156 -4.165 -27.696 16.613 1158 HD1 HIS 156 HD1 HIS 156 -6.904 -25.310 15.644 1159 HD2 HIS 156 HD2 HIS 156 -6.111 -29.398 15.447 1160 HE1 HIS 156 HE1 HIS 156 -9.075 -26.428 14.975 1161 H HIS 157 H HIS 157 -3.705 -27.004 18.974 1162 HA HIS 157 HA HIS 157 -5.958 -26.498 20.831 1163 HB2 HIS 157 2HB HIS 157 -5.100 -29.276 19.973 1164 HB3 HIS 157 3HB HIS 157 -6.161 -28.939 21.337 1165 HD1 HIS 157 HD1 HIS 157 -8.281 -27.231 20.527 1166 HD2 HIS 157 HD2 HIS 157 -6.582 -29.793 17.711 1167 HE1 HIS 157 HE1 HIS 157 -9.980 -27.475 18.665 1168 H HIS 158 H HIS 158 -3.079 -28.609 20.487 1169 HA HIS 158 HA HIS 158 -2.191 -27.684 23.202 1170 HB2 HIS 158 2HB HIS 158 -1.613 -30.241 21.693 1171 HB3 HIS 158 3HB HIS 158 -0.859 -29.804 23.227 1172 HD1 HIS 158 HD1 HIS 158 -4.140 -30.863 21.730 1173 HD2 HIS 158 HD2 HIS 158 -2.592 -29.930 25.487 1174 HE1 HIS 158 HE1 HIS 158 -5.879 -31.590 23.423 1175 H HIS 159 H HIS 159 -0.353 -26.560 23.338 1176 HA HIS 159 HA HIS 159 1.082 -25.681 21.007 1177 HB2 HIS 159 2HB HIS 159 0.943 -24.369 23.107 1178 HB3 HIS 159 3HB HIS 159 1.897 -25.603 23.927 1179 HD1 HIS 159 HD1 HIS 159 2.211 -23.313 20.896 1180 HD2 HIS 159 HD2 HIS 159 4.619 -25.140 23.767 1181 HE1 HIS 159 HE1 HIS 159 4.571 -22.501 20.473 1182 H HIS 160 H HIS 160 1.808 -28.067 23.530 1183 HA HIS 160 HA HIS 160 4.414 -28.773 22.501 1184 HB2 HIS 160 2HB HIS 160 3.806 -29.245 24.817 1185 HB3 HIS 160 3HB HIS 160 2.485 -30.283 24.285 1186 HD1 HIS 160 HD1 HIS 160 6.280 -30.092 24.118 1187 HD2 HIS 160 HD2 HIS 160 3.230 -32.919 23.820 1188 HE1 HIS 160 HE1 HIS 160 7.411 -32.353 23.970 Start of MODEL 19 1 H1 MET 1 1H MET 1 31.533 7.107 -15.160 2 H2 MET 1 2H MET 1 33.083 7.490 -14.585 3 H3 MET 1 3H MET 1 32.141 8.679 -15.348 4 HA MET 1 HA MET 1 32.336 8.362 -12.691 5 HB2 MET 1 2HB MET 1 30.103 9.490 -14.390 6 HB3 MET 1 3HB MET 1 30.199 9.729 -12.645 7 HG2 MET 1 2HG MET 1 32.390 10.793 -12.877 8 HG3 MET 1 3HG MET 1 32.378 10.485 -14.613 9 HE1 MET 1 3HE MET 1 30.737 11.888 -11.650 10 HE2 MET 1 1HE MET 1 29.133 11.854 -12.395 11 HE3 MET 1 2HE MET 1 29.952 13.391 -12.124 12 H GLU 2 H GLU 2 30.803 7.726 -11.026 13 HA GLU 2 HA GLU 2 29.808 5.061 -11.380 14 HB2 GLU 2 2HB GLU 2 28.875 5.348 -9.099 15 HB3 GLU 2 3HB GLU 2 30.556 5.872 -9.202 16 HG2 GLU 2 2HG GLU 2 29.796 8.218 -9.468 17 HG3 GLU 2 3HG GLU 2 28.124 7.681 -9.305 18 H LYS 3 H LYS 3 27.779 4.291 -11.762 19 HA LYS 3 HA LYS 3 25.754 6.225 -12.731 20 HB2 LYS 3 2HB LYS 3 24.630 4.193 -13.613 21 HB3 LYS 3 3HB LYS 3 26.308 4.289 -14.152 22 HG2 LYS 3 2HG LYS 3 26.968 2.752 -12.313 23 HG3 LYS 3 3HG LYS 3 25.275 2.617 -11.840 24 HD2 LYS 3 2HD LYS 3 24.711 1.703 -14.054 25 HD3 LYS 3 3HD LYS 3 26.393 1.863 -14.558 26 HE2 LYS 3 2HE LYS 3 27.080 0.293 -12.787 27 HE3 LYS 3 3HE LYS 3 25.404 0.139 -12.266 28 HZ1 LYS 3 3HZ LYS 3 25.341 -1.553 -13.700 29 HZ2 LYS 3 1HZ LYS 3 26.745 -1.060 -14.513 30 HZ3 LYS 3 2HZ LYS 3 25.247 -0.364 -14.910 31 H ALA 4 H ALA 4 26.530 4.581 -9.897 32 HA ALA 4 HA ALA 4 25.294 3.957 -7.986 33 HB1 ALA 4 3HB ALA 4 24.029 5.769 -7.088 34 HB2 ALA 4 1HB ALA 4 23.630 6.386 -8.693 35 HB3 ALA 4 2HB ALA 4 25.279 6.515 -8.083 36 H MET 5 H MET 5 24.500 2.160 -9.552 37 HA MET 5 HA MET 5 21.663 2.407 -10.285 38 HB2 MET 5 2HB MET 5 23.408 1.206 -11.697 39 HB3 MET 5 3HB MET 5 23.379 -0.071 -10.479 40 HG2 MET 5 2HG MET 5 20.947 -0.346 -10.819 41 HG3 MET 5 3HG MET 5 20.971 0.931 -12.033 42 HE1 MET 5 3HE MET 5 20.073 -2.348 -12.230 43 HE2 MET 5 1HE MET 5 20.370 -2.412 -13.973 44 HE3 MET 5 2HE MET 5 19.646 -0.977 -13.250 45 HA PRO 6 HA PRO 6 20.509 0.615 -6.313 46 HB2 PRO 6 2HB PRO 6 17.845 0.133 -6.843 47 HB3 PRO 6 3HB PRO 6 18.499 1.731 -6.437 48 HG2 PRO 6 2HG PRO 6 17.747 0.615 -9.092 49 HG3 PRO 6 3HG PRO 6 17.586 2.267 -8.474 50 HD2 PRO 6 2HD PRO 6 19.585 1.467 -10.200 51 HD3 PRO 6 3HD PRO 6 19.732 2.844 -9.088 52 H GLU 7 H GLU 7 20.171 -1.451 -5.420 53 HA GLU 7 HA GLU 7 19.342 -3.701 -7.070 54 HB2 GLU 7 2HB GLU 7 21.576 -4.922 -6.681 55 HB3 GLU 7 3HB GLU 7 21.541 -3.697 -7.947 56 HG2 GLU 7 2HG GLU 7 22.477 -2.039 -6.357 57 HG3 GLU 7 3HG GLU 7 22.547 -3.291 -5.115 58 H SER 8 H SER 8 18.286 -5.018 -5.722 59 HA SER 8 HA SER 8 17.573 -6.060 -3.755 60 HB2 SER 8 2HB SER 8 20.358 -5.709 -2.656 61 HB3 SER 8 3HB SER 8 19.231 -7.042 -2.411 62 HG SER 8 HG SER 8 19.535 -7.626 -4.566 63 H PHE 9 H PHE 9 18.512 -2.914 -3.865 64 HA PHE 9 HA PHE 9 18.002 -2.374 -0.976 65 HB2 PHE 9 2HB PHE 9 18.953 -0.587 -3.234 66 HB3 PHE 9 3HB PHE 9 18.683 -0.044 -1.578 67 HD1 PHE 9 HD2 PHE 9 19.835 -1.604 0.270 68 HD2 PHE 9 HD1 PHE 9 21.134 -1.240 -3.809 69 HE1 PHE 9 HE2 PHE 9 22.093 -2.394 0.920 70 HE2 PHE 9 HE1 PHE 9 23.393 -2.033 -3.157 71 HZ PHE 9 HZ PHE 9 23.872 -2.610 -0.794 72 H VAL 10 H VAL 10 16.188 -2.978 -3.560 73 HA VAL 10 HA VAL 10 14.122 -0.925 -2.828 74 HB VAL 10 HB VAL 10 14.820 -2.027 -5.559 75 HG11 VAL 10 1HG1 VAL 10 12.439 -2.032 -5.524 76 HG12 VAL 10 2HG1 VAL 10 12.867 -0.484 -6.254 77 HG13 VAL 10 3HG1 VAL 10 12.369 -0.556 -4.562 78 HG21 VAL 10 3HG2 VAL 10 16.128 -0.087 -4.676 79 HG22 VAL 10 1HG2 VAL 10 14.618 0.804 -4.487 80 HG23 VAL 10 2HG2 VAL 10 15.168 0.331 -6.095 81 H VAL 11 H VAL 11 12.179 -1.752 -2.304 82 HA VAL 11 HA VAL 11 11.732 -4.692 -2.715 83 HB VAL 11 HB VAL 11 10.935 -2.831 -0.466 84 HG11 VAL 11 1HG1 VAL 11 9.836 -4.957 0.461 85 HG12 VAL 11 2HG1 VAL 11 9.921 -5.592 -1.183 86 HG13 VAL 11 3HG1 VAL 11 8.973 -4.144 -0.845 87 HG21 VAL 11 3HG2 VAL 11 13.219 -3.992 -0.570 88 HG22 VAL 11 1HG2 VAL 11 12.341 -5.511 -0.395 89 HG23 VAL 11 2HG2 VAL 11 12.264 -4.297 0.882 90 H ARG 12 H ARG 12 9.955 -5.252 -3.823 91 HA ARG 12 HA ARG 12 7.861 -3.168 -4.360 92 HB2 ARG 12 2HB ARG 12 9.015 -5.253 -6.233 93 HB3 ARG 12 3HB ARG 12 7.597 -4.266 -6.598 94 HG2 ARG 12 2HG ARG 12 8.954 -2.219 -6.310 95 HG3 ARG 12 3HG ARG 12 10.371 -3.210 -5.967 96 HD2 ARG 12 2HD ARG 12 8.777 -3.362 -8.540 97 HD3 ARG 12 3HD ARG 12 10.257 -2.423 -8.349 98 HE ARG 12 HE ARG 12 10.078 -5.346 -8.547 99 HH11 ARG 12 1HH2 ARG 12 11.912 -2.574 -7.593 100 HH12 ARG 12 2HH2 ARG 12 13.432 -3.398 -7.680 101 HH21 ARG 12 1HH1 ARG 12 12.048 -6.416 -8.664 102 HH22 ARG 12 2HH1 ARG 12 13.510 -5.569 -8.285 103 H ARG 13 H ARG 13 5.798 -3.824 -4.046 104 HA ARG 13 HA ARG 13 5.249 -6.734 -3.645 105 HB2 ARG 13 2HB ARG 13 4.509 -4.435 -1.830 106 HB3 ARG 13 3HB ARG 13 3.688 -5.993 -1.761 107 HG2 ARG 13 2HG ARG 13 6.690 -6.040 -1.692 108 HG3 ARG 13 3HG ARG 13 5.866 -5.452 -0.249 109 HD2 ARG 13 2HD ARG 13 6.244 -7.880 -0.100 110 HD3 ARG 13 3HD ARG 13 4.519 -7.520 -0.168 111 HE ARG 13 HE ARG 13 4.426 -8.540 -2.310 112 HH11 ARG 13 1HH2 ARG 13 7.667 -8.065 -1.222 113 HH12 ARG 13 2HH2 ARG 13 8.363 -9.038 -2.473 114 HH21 ARG 13 1HH1 ARG 13 5.320 -9.800 -3.940 115 HH22 ARG 13 2HH1 ARG 13 7.035 -10.021 -4.011 116 H GLU 14 H GLU 14 3.140 -7.368 -4.192 117 HA GLU 14 HA GLU 14 1.369 -5.290 -5.396 118 HB2 GLU 14 2HB GLU 14 2.369 -7.800 -6.765 119 HB3 GLU 14 3HB GLU 14 1.003 -6.847 -7.350 120 HG2 GLU 14 2HG GLU 14 2.445 -4.860 -7.513 121 HG3 GLU 14 3HG GLU 14 3.813 -5.795 -6.910 122 H ALA 15 H ALA 15 -0.835 -5.908 -5.477 123 HA ALA 15 HA ALA 15 -1.630 -8.528 -4.389 124 HB1 ALA 15 3HB ALA 15 -2.398 -5.969 -2.957 125 HB2 ALA 15 1HB ALA 15 -1.195 -7.117 -2.371 126 HB3 ALA 15 2HB ALA 15 -2.885 -7.605 -2.513 127 H HIS 16 H HIS 16 -3.818 -8.997 -4.849 128 HA HIS 16 HA HIS 16 -5.061 -7.210 -6.881 129 HB2 HIS 16 2HB HIS 16 -5.637 -10.072 -6.067 130 HB3 HIS 16 3HB HIS 16 -6.519 -9.198 -7.318 131 HD1 HIS 16 HD1 HIS 16 -4.940 -8.248 -9.336 132 HD2 HIS 16 HD2 HIS 16 -3.325 -11.292 -6.992 133 HE1 HIS 16 HE1 HIS 16 -3.016 -9.224 -10.659 134 H LEU 17 H LEU 17 -6.683 -5.907 -6.251 135 HA LEU 17 HA LEU 17 -8.264 -6.629 -3.802 136 HB2 LEU 17 2HB LEU 17 -7.609 -3.898 -4.942 137 HB3 LEU 17 3HB LEU 17 -8.638 -4.198 -3.541 138 HG LEU 17 HG LEU 17 -6.471 -5.589 -2.726 139 HD11 LEU 17 1HD1 LEU 17 -5.346 -3.425 -4.534 140 HD12 LEU 17 2HD1 LEU 17 -5.124 -5.165 -4.723 141 HD13 LEU 17 3HD1 LEU 17 -4.410 -4.331 -3.344 142 HD21 LEU 17 3HD2 LEU 17 -6.763 -2.573 -2.559 143 HD22 LEU 17 1HD2 LEU 17 -5.749 -3.552 -1.498 144 HD23 LEU 17 2HD2 LEU 17 -7.500 -3.755 -1.478 145 H ALA 18 H ALA 18 -10.348 -7.027 -4.157 146 HA ALA 18 HA ALA 18 -11.494 -6.513 -6.826 147 HB1 ALA 18 3HB ALA 18 -13.202 -8.034 -6.204 148 HB2 ALA 18 1HB ALA 18 -12.907 -7.787 -4.483 149 HB3 ALA 18 2HB ALA 18 -11.745 -8.687 -5.455 150 H ALA 19 H ALA 19 -11.413 -4.142 -6.441 151 HA ALA 19 HA ALA 19 -13.990 -3.121 -5.778 152 HB1 ALA 19 3HB ALA 19 -13.674 -3.216 -3.473 153 HB2 ALA 19 1HB ALA 19 -12.942 -1.642 -3.790 154 HB3 ALA 19 2HB ALA 19 -11.923 -3.069 -3.606 155 HA PRO 20 HA PRO 20 -12.329 0.169 -8.239 156 HB2 PRO 20 2HB PRO 20 -13.784 2.338 -7.276 157 HB3 PRO 20 3HB PRO 20 -14.423 1.129 -8.406 158 HG2 PRO 20 2HG PRO 20 -14.786 1.335 -5.451 159 HG3 PRO 20 3HG PRO 20 -15.954 0.869 -6.699 160 HD2 PRO 20 2HD PRO 20 -14.722 -0.969 -5.122 161 HD3 PRO 20 3HD PRO 20 -15.172 -1.320 -6.805 162 HA PRO 21 HA PRO 21 -9.125 2.257 -6.011 163 HB2 PRO 21 2HB PRO 21 -8.928 4.661 -7.377 164 HB3 PRO 21 3HB PRO 21 -8.284 3.124 -7.986 165 HG2 PRO 21 2HG PRO 21 -10.819 4.526 -8.698 166 HG3 PRO 21 3HG PRO 21 -9.704 3.620 -9.734 167 HD2 PRO 21 2HD PRO 21 -12.067 2.569 -8.844 168 HD3 PRO 21 3HD PRO 21 -10.637 1.565 -9.168 169 H ALA 22 H ALA 22 -12.169 3.917 -6.471 170 HA ALA 22 HA ALA 22 -11.731 6.087 -4.631 171 HB1 ALA 22 3HB ALA 22 -14.368 4.743 -5.259 172 HB2 ALA 22 1HB ALA 22 -13.598 5.893 -6.349 173 HB3 ALA 22 2HB ALA 22 -14.118 6.411 -4.744 174 H ALA 23 H ALA 23 -13.060 2.820 -4.264 175 HA ALA 23 HA ALA 23 -13.796 3.091 -1.493 176 HB1 ALA 23 3HB ALA 23 -13.048 0.629 -3.092 177 HB2 ALA 23 1HB ALA 23 -14.675 1.280 -2.907 178 HB3 ALA 23 2HB ALA 23 -13.829 0.605 -1.512 179 H VAL 24 H VAL 24 -10.878 1.838 -3.095 180 HA VAL 24 HA VAL 24 -9.492 1.067 -0.704 181 HB VAL 24 HB VAL 24 -8.439 1.972 -3.399 182 HG11 VAL 24 1HG1 VAL 24 -6.636 2.230 -1.857 183 HG12 VAL 24 2HG1 VAL 24 -6.381 0.666 -2.628 184 HG13 VAL 24 3HG1 VAL 24 -7.060 0.746 -1.003 185 HG21 VAL 24 3HG2 VAL 24 -9.903 -0.119 -3.247 186 HG22 VAL 24 1HG2 VAL 24 -8.615 -0.829 -2.273 187 HG23 VAL 24 2HG2 VAL 24 -8.298 -0.349 -3.940 188 H PHE 25 H PHE 25 -9.457 4.058 -2.607 189 HA PHE 25 HA PHE 25 -7.533 5.471 -1.048 190 HB2 PHE 25 2HB PHE 25 -8.351 6.174 -3.297 191 HB3 PHE 25 3HB PHE 25 -9.898 6.596 -2.569 192 HD1 PHE 25 HD2 PHE 25 -6.234 7.283 -2.305 193 HD2 PHE 25 HD1 PHE 25 -10.220 8.735 -1.623 194 HE1 PHE 25 HE2 PHE 25 -5.318 9.495 -1.664 195 HE2 PHE 25 HE1 PHE 25 -9.302 10.949 -0.984 196 HZ PHE 25 HZ PHE 25 -6.852 11.329 -1.002 197 H ALA 26 H ALA 26 -11.081 5.348 -0.805 198 HA ALA 26 HA ALA 26 -11.362 7.210 1.338 199 HB1 ALA 26 3HB ALA 26 -13.505 5.911 1.794 200 HB2 ALA 26 1HB ALA 26 -13.006 4.809 0.514 201 HB3 ALA 26 2HB ALA 26 -13.327 6.501 0.140 202 H LEU 27 H LEU 27 -10.920 3.684 1.366 203 HA LEU 27 HA LEU 27 -11.057 3.353 4.202 204 HB2 LEU 27 2HB LEU 27 -9.679 1.752 2.043 205 HB3 LEU 27 3HB LEU 27 -9.774 1.217 3.720 206 HG LEU 27 HG LEU 27 -12.199 1.943 2.051 207 HD11 LEU 27 1HD1 LEU 27 -11.259 0.055 0.947 208 HD12 LEU 27 2HD1 LEU 27 -12.525 -0.593 1.992 209 HD13 LEU 27 3HD1 LEU 27 -10.833 -0.721 2.474 210 HD21 LEU 27 3HD2 LEU 27 -12.940 2.011 4.255 211 HD22 LEU 27 1HD2 LEU 27 -11.763 0.821 4.810 212 HD23 LEU 27 2HD2 LEU 27 -13.187 0.303 3.907 213 H MET 28 H MET 28 -8.300 3.907 2.047 214 HA MET 28 HA MET 28 -6.318 3.734 4.131 215 HB2 MET 28 2HB MET 28 -6.279 4.992 1.385 216 HB3 MET 28 3HB MET 28 -4.862 4.919 2.435 217 HG2 MET 28 2HG MET 28 -5.001 2.479 2.503 218 HG3 MET 28 3HG MET 28 -6.478 2.513 1.545 219 HE1 MET 28 3HE MET 28 -3.093 4.797 0.885 220 HE2 MET 28 1HE MET 28 -2.185 3.378 0.344 221 HE3 MET 28 2HE MET 28 -2.932 3.397 1.941 222 H THR 29 H THR 29 -8.178 6.436 2.787 223 HA THR 29 HA THR 29 -6.770 8.291 4.661 224 HB THR 29 HB THR 29 -8.694 8.921 2.410 225 HG1 THR 29 HG1 THR 29 -6.269 9.772 1.925 226 HG21 THR 29 3HG2 THR 29 -8.644 10.664 4.111 227 HG22 THR 29 1HG2 THR 29 -7.743 11.216 2.700 228 HG23 THR 29 2HG2 THR 29 -6.881 10.639 4.125 229 H ASP 30 H ASP 30 -7.752 7.878 6.607 230 HA ASP 30 HA ASP 30 -10.004 9.257 7.355 231 HB2 ASP 30 2HB ASP 30 -10.738 6.711 6.031 232 HB3 ASP 30 3HB ASP 30 -11.483 6.923 7.614 233 HA PRO 31 HA PRO 31 -8.354 7.677 11.173 234 HB2 PRO 31 2HB PRO 31 -10.221 8.527 12.956 235 HB3 PRO 31 3HB PRO 31 -9.143 9.649 12.104 236 HG2 PRO 31 2HG PRO 31 -11.992 8.964 11.524 237 HG3 PRO 31 3HG PRO 31 -11.186 10.538 11.484 238 HD2 PRO 31 2HD PRO 31 -11.686 9.042 9.222 239 HD3 PRO 31 3HD PRO 31 -10.354 10.212 9.358 240 H GLU 32 H GLU 32 -11.892 7.221 11.261 241 HA GLU 32 HA GLU 32 -11.759 4.873 12.892 242 HB2 GLU 32 2HB GLU 32 -13.753 6.482 12.445 243 HB3 GLU 32 3HB GLU 32 -14.046 5.485 11.024 244 HG2 GLU 32 2HG GLU 32 -13.826 4.395 13.846 245 HG3 GLU 32 3HG GLU 32 -15.350 4.751 13.033 246 H LYS 33 H LYS 33 -11.898 5.338 9.395 247 HA LYS 33 HA LYS 33 -12.413 2.622 8.672 248 HB2 LYS 33 2HB LYS 33 -10.813 4.721 7.204 249 HB3 LYS 33 3HB LYS 33 -11.465 3.251 6.489 250 HG2 LYS 33 2HG LYS 33 -13.178 5.359 7.842 251 HG3 LYS 33 3HG LYS 33 -12.882 5.321 6.105 252 HD2 LYS 33 2HD LYS 33 -13.745 2.862 6.253 253 HD3 LYS 33 3HD LYS 33 -14.401 3.351 7.810 254 HE2 LYS 33 2HE LYS 33 -16.175 3.764 6.328 255 HE3 LYS 33 3HE LYS 33 -15.428 5.351 6.514 256 HZ1 LYS 33 3HZ LYS 33 -15.934 4.285 4.160 257 HZ2 LYS 33 1HZ LYS 33 -14.389 3.629 4.404 258 HZ3 LYS 33 2HZ LYS 33 -14.608 5.313 4.423 259 H ILE 34 H ILE 34 -9.327 4.341 9.178 260 HA ILE 34 HA ILE 34 -7.680 2.093 8.469 261 HB ILE 34 HB ILE 34 -7.151 4.493 10.232 262 HG12 ILE 34 2HG1 ILE 34 -6.124 3.866 7.455 263 HG13 ILE 34 3HG1 ILE 34 -7.599 4.792 7.738 264 HG21 ILE 34 1HG2 ILE 34 -5.339 2.253 9.322 265 HG22 ILE 34 2HG2 ILE 34 -5.567 2.879 10.955 266 HG23 ILE 34 3HG2 ILE 34 -4.706 3.841 9.754 267 HD11 ILE 34 3HD1 ILE 34 -6.238 6.370 9.163 268 HD12 ILE 34 1HD1 ILE 34 -5.781 6.365 7.460 269 HD13 ILE 34 2HD1 ILE 34 -4.793 5.505 8.641 270 H LEU 35 H LEU 35 -8.893 3.273 11.587 271 HA LEU 35 HA LEU 35 -7.618 1.197 13.149 272 HB2 LEU 35 2HB LEU 35 -9.993 2.974 13.781 273 HB3 LEU 35 3HB LEU 35 -9.121 2.000 14.962 274 HG LEU 35 HG LEU 35 -7.857 4.181 13.265 275 HD11 LEU 35 1HD1 LEU 35 -9.365 5.261 14.786 276 HD12 LEU 35 2HD1 LEU 35 -7.758 5.393 15.504 277 HD13 LEU 35 3HD1 LEU 35 -8.898 4.190 16.109 278 HD21 LEU 35 3HD2 LEU 35 -6.096 2.751 13.893 279 HD22 LEU 35 1HD2 LEU 35 -6.856 2.326 15.428 280 HD23 LEU 35 2HD2 LEU 35 -6.110 3.911 15.219 281 H ARG 36 H ARG 36 -10.067 1.025 10.943 282 HA ARG 36 HA ARG 36 -11.936 -0.737 12.248 283 HB2 ARG 36 2HB ARG 36 -12.398 0.482 10.110 284 HB3 ARG 36 3HB ARG 36 -11.239 -0.572 9.306 285 HG2 ARG 36 2HG ARG 36 -12.578 -2.541 9.901 286 HG3 ARG 36 3HG ARG 36 -13.740 -1.508 10.737 287 HD2 ARG 36 2HD ARG 36 -14.121 -0.287 8.581 288 HD3 ARG 36 3HD ARG 36 -13.076 -1.459 7.780 289 HE ARG 36 HE ARG 36 -14.777 -3.114 8.032 290 HH11 ARG 36 1HH2 ARG 36 -15.536 -0.142 9.631 291 HH12 ARG 36 2HH2 ARG 36 -17.192 -0.567 9.896 292 HH21 ARG 36 1HH1 ARG 36 -16.923 -3.667 8.376 293 HH22 ARG 36 2HH1 ARG 36 -17.977 -2.558 9.190 294 H TRP 37 H TRP 37 -8.989 -1.270 10.341 295 HA TRP 37 HA TRP 37 -9.130 -4.196 11.007 296 HB2 TRP 37 2HB TRP 37 -7.506 -4.465 9.122 297 HB3 TRP 37 3HB TRP 37 -9.058 -3.808 8.606 298 HD1 TRP 37 HD1 TRP 37 -9.084 -0.968 8.579 299 HE1 TRP 37 HE1 TRP 37 -7.273 0.585 7.616 300 HE3 TRP 37 HE3 TRP 37 -5.096 -4.155 8.563 301 HZ2 TRP 37 HZ2 TRP 37 -4.508 0.501 6.926 302 HZ3 TRP 37 HZ3 TRP 37 -2.887 -3.389 7.744 303 HH2 TRP 37 HH2 TRP 37 -2.586 -1.068 6.925 304 H MET 38 H MET 38 -6.549 -1.807 10.344 305 HA MET 38 HA MET 38 -5.275 -2.592 12.921 306 HB2 MET 38 2HB MET 38 -4.350 -3.967 10.962 307 HB3 MET 38 3HB MET 38 -3.687 -2.450 10.354 308 HG2 MET 38 2HG MET 38 -2.456 -2.118 12.449 309 HG3 MET 38 3HG MET 38 -3.141 -3.605 13.102 310 HE1 MET 38 3HE MET 38 -0.967 -4.286 13.748 311 HE2 MET 38 1HE MET 38 0.145 -3.178 12.933 312 HE3 MET 38 2HE MET 38 0.322 -4.918 12.726 313 H GLY 39 H GLY 39 -3.755 -1.025 13.680 314 HA2 GLY 39 2HA GLY 39 -2.552 1.148 12.846 315 HA3 GLY 39 3HA GLY 39 -4.204 1.710 12.566 316 H THR 40 H THR 40 -1.822 2.090 14.687 317 HA THR 40 HA THR 40 -3.486 1.895 17.152 318 HB THR 40 HB THR 40 -1.402 2.286 18.355 319 HG1 THR 40 HG1 THR 40 0.257 2.261 16.218 320 HG21 THR 40 3HG2 THR 40 -0.248 0.289 17.769 321 HG22 THR 40 1HG2 THR 40 -0.737 0.413 16.080 322 HG23 THR 40 2HG2 THR 40 -1.928 0.002 17.315 323 H GLU 41 H GLU 41 -2.393 4.151 14.791 324 HA GLU 41 HA GLU 41 -3.674 6.344 16.330 325 HB2 GLU 41 2HB GLU 41 -0.829 6.431 15.294 326 HB3 GLU 41 3HB GLU 41 -1.745 7.879 15.710 327 HG2 GLU 41 2HG GLU 41 -2.071 7.020 18.000 328 HG3 GLU 41 3HG GLU 41 -1.158 5.570 17.586 329 H ALA 42 H ALA 42 -4.563 7.953 15.010 330 HA ALA 42 HA ALA 42 -4.011 8.046 12.146 331 HB1 ALA 42 3HB ALA 42 -5.570 6.032 12.507 332 HB2 ALA 42 1HB ALA 42 -6.080 7.234 11.324 333 HB3 ALA 42 2HB ALA 42 -6.808 7.216 12.929 334 H GLU 43 H GLU 43 -4.008 10.211 11.897 335 HA GLU 43 HA GLU 43 -5.713 11.919 13.581 336 HB2 GLU 43 2HB GLU 43 -3.263 12.398 12.836 337 HB3 GLU 43 3HB GLU 43 -3.983 12.892 11.305 338 HG2 GLU 43 2HG GLU 43 -3.775 14.872 12.668 339 HG3 GLU 43 3HG GLU 43 -5.488 14.449 12.626 340 H VAL 44 H VAL 44 -7.090 13.585 12.605 341 HA VAL 44 HA VAL 44 -8.268 12.746 9.979 342 HB VAL 44 HB VAL 44 -9.675 12.227 12.027 343 HG11 VAL 44 1HG1 VAL 44 -10.686 14.000 13.257 344 HG12 VAL 44 2HG1 VAL 44 -10.116 15.220 12.117 345 HG13 VAL 44 3HG1 VAL 44 -8.972 14.409 13.188 346 HG21 VAL 44 3HG2 VAL 44 -10.822 14.265 10.101 347 HG22 VAL 44 1HG2 VAL 44 -11.721 13.031 10.983 348 HG23 VAL 44 2HG2 VAL 44 -10.584 12.559 9.720 349 H GLU 45 H GLU 45 -8.431 14.321 8.508 350 HA GLU 45 HA GLU 45 -8.898 17.069 9.089 351 HB2 GLU 45 2HB GLU 45 -6.628 17.942 8.347 352 HB3 GLU 45 3HB GLU 45 -6.644 17.204 9.946 353 HG2 GLU 45 2HG GLU 45 -5.984 15.553 7.511 354 HG3 GLU 45 3HG GLU 45 -4.748 16.551 8.270 355 HA PRO 46 HA PRO 46 -9.857 16.748 4.762 356 HB2 PRO 46 2HB PRO 46 -9.712 19.407 4.005 357 HB3 PRO 46 3HB PRO 46 -11.062 18.714 4.924 358 HG2 PRO 46 2HG PRO 46 -8.710 20.271 5.906 359 HG3 PRO 46 3HG PRO 46 -10.412 20.375 6.392 360 HD2 PRO 46 2HD PRO 46 -8.581 19.055 7.893 361 HD3 PRO 46 3HD PRO 46 -10.269 18.516 7.793 362 H GLU 47 H GLU 47 -8.884 16.751 2.686 363 HA GLU 47 HA GLU 47 -6.200 16.220 2.385 364 HB2 GLU 47 2HB GLU 47 -8.351 17.149 0.585 365 HB3 GLU 47 3HB GLU 47 -6.740 17.544 -0.008 366 HG2 GLU 47 2HG GLU 47 -7.508 15.342 -0.824 367 HG3 GLU 47 3HG GLU 47 -6.078 15.190 0.199 368 HA PRO 48 HA PRO 48 -5.015 20.815 1.440 369 HB2 PRO 48 2HB PRO 48 -6.912 22.719 2.146 370 HB3 PRO 48 3HB PRO 48 -6.733 22.059 0.509 371 HG2 PRO 48 2HG PRO 48 -8.655 21.277 2.662 372 HG3 PRO 48 3HG PRO 48 -8.942 21.498 0.925 373 HD2 PRO 48 2HD PRO 48 -8.667 19.042 1.970 374 HD3 PRO 48 3HD PRO 48 -8.002 19.432 0.373 375 H GLY 49 H GLY 49 -6.846 19.754 4.165 376 HA2 GLY 49 2HA GLY 49 -6.361 21.522 6.222 377 HA3 GLY 49 3HA GLY 49 -6.248 19.777 6.448 378 H GLY 50 H GLY 50 -4.130 18.787 5.971 379 HA2 GLY 50 2HA GLY 50 -1.731 20.216 5.514 380 HA3 GLY 50 3HA GLY 50 -1.981 20.157 7.262 381 H LEU 51 H LEU 51 -3.435 17.549 6.981 382 HA LEU 51 HA LEU 51 -2.817 15.313 7.356 383 HB2 LEU 51 2HB LEU 51 -1.389 15.979 4.767 384 HB3 LEU 51 3HB LEU 51 -1.497 14.341 5.411 385 HG LEU 51 HG LEU 51 -3.952 16.055 4.979 386 HD11 LEU 51 1HD1 LEU 51 -2.515 14.234 3.040 387 HD12 LEU 51 2HD1 LEU 51 -2.997 15.914 2.798 388 HD13 LEU 51 3HD1 LEU 51 -4.220 14.645 2.863 389 HD21 LEU 51 3HD2 LEU 51 -4.937 13.659 4.730 390 HD22 LEU 51 1HD2 LEU 51 -4.496 14.186 6.350 391 HD23 LEU 51 2HD2 LEU 51 -3.429 13.108 5.456 392 H TYR 52 H TYR 52 -1.649 15.720 9.279 393 HA TYR 52 HA TYR 52 1.183 16.345 9.262 394 HB2 TYR 52 2HB TYR 52 -0.589 15.196 11.431 395 HB3 TYR 52 3HB TYR 52 1.058 15.774 11.678 396 HD1 TYR 52 HD2 TYR 52 -2.407 16.763 10.864 397 HD2 TYR 52 HD1 TYR 52 1.585 18.132 11.656 398 HE1 TYR 52 HE2 TYR 52 -3.253 19.080 11.124 399 HE2 TYR 52 HE1 TYR 52 0.742 20.448 11.917 400 HH TYR 52 HH TYR 52 -1.835 21.600 10.808 401 H LEU 53 H LEU 53 0.937 13.915 11.455 402 HA LEU 53 HA LEU 53 2.014 11.865 9.554 403 HB2 LEU 53 2HB LEU 53 3.831 12.802 10.904 404 HB3 LEU 53 3HB LEU 53 2.925 12.478 12.381 405 HG LEU 53 HG LEU 53 3.024 10.068 11.959 406 HD11 LEU 53 1HD1 LEU 53 2.961 9.751 9.644 407 HD12 LEU 53 2HD1 LEU 53 4.654 9.410 9.990 408 HD13 LEU 53 3HD1 LEU 53 4.188 10.980 9.334 409 HD21 LEU 53 3HD2 LEU 53 5.758 11.325 11.569 410 HD22 LEU 53 1HD2 LEU 53 5.421 9.733 12.248 411 HD23 LEU 53 2HD2 LEU 53 4.931 11.184 13.120 412 H VAL 54 H VAL 54 1.080 9.899 9.656 413 HA VAL 54 HA VAL 54 -0.575 9.204 12.055 414 HB VAL 54 HB VAL 54 -2.258 8.214 10.531 415 HG11 VAL 54 1HG1 VAL 54 -1.774 11.101 9.778 416 HG12 VAL 54 2HG1 VAL 54 -2.335 10.626 11.382 417 HG13 VAL 54 3HG1 VAL 54 -3.318 10.269 9.961 418 HG21 VAL 54 3HG2 VAL 54 -0.804 7.799 8.597 419 HG22 VAL 54 1HG2 VAL 54 -0.564 9.534 8.382 420 HG23 VAL 54 2HG2 VAL 54 -2.158 8.824 8.121 421 H ASN 55 H ASN 55 -0.582 7.050 12.603 422 HA ASN 55 HA ASN 55 0.213 4.881 12.799 423 HB2 ASN 55 2HB ASN 55 0.460 5.106 9.787 424 HB3 ASN 55 3HB ASN 55 0.618 3.612 10.702 425 HD21 ASN 55 1HD2 ASN 55 -1.513 4.513 8.710 426 HD22 ASN 55 2HD2 ASN 55 -2.979 4.304 9.537 427 H VAL 56 H VAL 56 2.089 4.139 13.544 428 HA VAL 56 HA VAL 56 4.537 5.598 13.257 429 HB VAL 56 HB VAL 56 5.537 3.800 14.584 430 HG11 VAL 56 1HG1 VAL 56 3.798 3.701 16.443 431 HG12 VAL 56 2HG1 VAL 56 2.715 4.569 15.356 432 HG13 VAL 56 3HG1 VAL 56 4.221 5.319 15.885 433 HG21 VAL 56 3HG2 VAL 56 4.085 1.811 15.173 434 HG22 VAL 56 1HG2 VAL 56 4.628 1.837 13.496 435 HG23 VAL 56 2HG2 VAL 56 2.980 2.317 13.897 436 H THR 57 H THR 57 3.353 2.613 11.735 437 HA THR 57 HA THR 57 4.272 1.322 9.995 438 HB THR 57 HB THR 57 4.947 2.565 8.061 439 HG1 THR 57 HG1 THR 57 5.189 4.980 9.381 440 HG21 THR 57 3HG2 THR 57 3.068 4.260 9.728 441 HG22 THR 57 1HG2 THR 57 2.607 2.896 8.712 442 HG23 THR 57 2HG2 THR 57 3.249 4.365 7.978 443 H GLY 58 H GLY 58 6.031 2.175 12.417 444 HA2 GLY 58 2HA GLY 58 8.175 0.545 12.234 445 HA3 GLY 58 3HA GLY 58 8.741 1.914 11.272 446 H ALA 59 H ALA 59 8.251 4.125 12.473 447 HA ALA 59 HA ALA 59 8.315 4.049 15.379 448 HB1 ALA 59 3HB ALA 59 10.616 3.304 14.922 449 HB2 ALA 59 1HB ALA 59 10.618 4.918 15.637 450 HB3 ALA 59 2HB ALA 59 10.877 4.719 13.904 451 H ARG 60 H ARG 60 7.879 6.064 16.219 452 HA ARG 60 HA ARG 60 6.934 8.111 14.411 453 HB2 ARG 60 2HB ARG 60 5.941 7.685 16.644 454 HB3 ARG 60 3HB ARG 60 7.429 8.251 17.400 455 HG2 ARG 60 2HG ARG 60 7.125 10.464 16.327 456 HG3 ARG 60 3HG ARG 60 5.633 9.892 15.585 457 HD2 ARG 60 2HD ARG 60 6.116 9.949 18.577 458 HD3 ARG 60 3HD ARG 60 5.266 11.214 17.689 459 HE ARG 60 HE ARG 60 4.021 8.761 17.036 460 HH11 ARG 60 1HH2 ARG 60 4.586 10.797 19.767 461 HH12 ARG 60 2HH2 ARG 60 3.121 10.341 20.568 462 HH21 ARG 60 1HH1 ARG 60 2.117 8.165 18.070 463 HH22 ARG 60 2HH1 ARG 60 1.725 8.853 19.609 464 H PHE 61 H PHE 61 7.939 9.934 13.707 465 HA PHE 61 HA PHE 61 10.805 10.323 14.436 466 HB2 PHE 61 2HB PHE 61 9.102 11.362 12.161 467 HB3 PHE 61 3HB PHE 61 10.787 11.816 12.411 468 HD1 PHE 61 HD2 PHE 61 12.554 10.007 12.440 469 HD2 PHE 61 HD1 PHE 61 8.527 9.296 11.127 470 HE1 PHE 61 HE2 PHE 61 13.295 7.940 11.294 471 HE2 PHE 61 HE1 PHE 61 9.268 7.226 9.979 472 HZ PHE 61 HZ PHE 61 11.652 6.547 10.063 473 H ALA 62 H ALA 62 9.161 12.998 13.081 474 HA ALA 62 HA ALA 62 8.307 14.298 15.520 475 HB1 ALA 62 3HB ALA 62 10.839 14.342 15.746 476 HB2 ALA 62 1HB ALA 62 10.071 15.932 15.755 477 HB3 ALA 62 2HB ALA 62 10.874 15.346 14.298 478 H ARG 63 H ARG 63 8.938 14.224 12.127 479 HA ARG 63 HA ARG 63 7.054 16.515 11.751 480 HB2 ARG 63 2HB ARG 63 9.749 16.208 10.398 481 HB3 ARG 63 3HB ARG 63 8.503 17.338 9.866 482 HG2 ARG 63 2HG ARG 63 8.540 18.433 12.074 483 HG3 ARG 63 3HG ARG 63 9.770 17.294 12.621 484 HD2 ARG 63 2HD ARG 63 10.132 19.135 10.239 485 HD3 ARG 63 3HD ARG 63 10.698 19.514 11.866 486 HE ARG 63 HE ARG 63 11.712 16.957 11.168 487 HH11 ARG 63 1HH2 ARG 63 11.971 20.280 10.259 488 HH12 ARG 63 2HH2 ARG 63 13.608 20.132 9.712 489 HH21 ARG 63 1HH1 ARG 63 13.837 16.759 10.458 490 HH22 ARG 63 2HH1 ARG 63 14.661 18.143 9.823 491 H GLY 64 H GLY 64 5.862 16.405 9.774 492 HA2 GLY 64 2HA GLY 64 6.355 14.474 7.724 493 HA3 GLY 64 3HA GLY 64 5.181 13.811 8.859 494 H SER 65 H SER 65 5.321 15.294 6.008 495 HA SER 65 HA SER 65 2.604 16.474 6.302 496 HB2 SER 65 2HB SER 65 4.853 17.841 4.793 497 HB3 SER 65 3HB SER 65 3.214 18.446 5.018 498 HG SER 65 HG SER 65 5.358 18.313 6.800 499 H PHE 66 H PHE 66 3.849 13.993 5.222 500 HA PHE 66 HA PHE 66 3.648 12.595 3.366 501 HB2 PHE 66 2HB PHE 66 1.411 14.575 2.902 502 HB3 PHE 66 3HB PHE 66 1.706 13.243 1.785 503 HD1 PHE 66 HD2 PHE 66 0.956 14.078 5.335 504 HD2 PHE 66 HD1 PHE 66 1.100 11.007 2.337 505 HE1 PHE 66 HE2 PHE 66 -0.226 12.526 6.866 506 HE2 PHE 66 HE1 PHE 66 -0.078 9.453 3.867 507 HZ PHE 66 HZ PHE 66 -0.743 10.213 6.134 508 H ARG 67 H ARG 67 4.236 12.337 1.204 509 HA ARG 67 HA ARG 67 6.007 14.427 0.188 510 HB2 ARG 67 2HB ARG 67 6.489 11.928 0.082 511 HB3 ARG 67 3HB ARG 67 5.232 11.825 -1.143 512 HG2 ARG 67 2HG ARG 67 7.337 12.039 -2.288 513 HG3 ARG 67 3HG ARG 67 6.457 13.552 -2.477 514 HD2 ARG 67 2HD ARG 67 8.304 13.352 -0.127 515 HD3 ARG 67 3HD ARG 67 9.039 13.509 -1.723 516 HE ARG 67 HE ARG 67 7.477 15.567 -0.341 517 HH11 ARG 67 1HH2 ARG 67 8.694 14.323 -3.317 518 HH12 ARG 67 2HH2 ARG 67 8.637 15.854 -4.125 519 HH21 ARG 67 1HH1 ARG 67 7.395 17.553 -1.373 520 HH22 ARG 67 2HH1 ARG 67 7.902 17.686 -3.023 521 H GLU 68 H GLU 68 3.644 12.481 -1.607 522 HA GLU 68 HA GLU 68 2.324 14.944 -2.594 523 HB2 GLU 68 2HB GLU 68 4.231 14.388 -4.167 524 HB3 GLU 68 3HB GLU 68 3.435 12.848 -4.480 525 HG2 GLU 68 2HG GLU 68 2.760 14.378 -6.224 526 HG3 GLU 68 3HG GLU 68 1.375 14.133 -5.163 527 H VAL 69 H VAL 69 0.170 14.553 -3.139 528 HA VAL 69 HA VAL 69 -0.748 11.715 -3.112 529 HB VAL 69 HB VAL 69 -1.979 13.973 -1.536 530 HG11 VAL 69 1HG1 VAL 69 -3.757 12.601 -2.356 531 HG12 VAL 69 2HG1 VAL 69 -3.458 12.079 -0.699 532 HG13 VAL 69 3HG1 VAL 69 -2.846 11.125 -2.049 533 HG21 VAL 69 3HG2 VAL 69 0.080 12.968 -0.559 534 HG22 VAL 69 1HG2 VAL 69 -0.681 11.380 -0.651 535 HG23 VAL 69 2HG2 VAL 69 -1.353 12.620 0.407 536 H VAL 70 H VAL 70 -2.119 11.264 -4.713 537 HA VAL 70 HA VAL 70 -3.507 13.537 -6.080 538 HB VAL 70 HB VAL 70 -2.485 11.063 -7.485 539 HG11 VAL 70 1HG1 VAL 70 -3.029 12.294 -9.481 540 HG12 VAL 70 2HG1 VAL 70 -3.245 13.791 -8.573 541 HG13 VAL 70 3HG1 VAL 70 -4.417 12.483 -8.406 542 HG21 VAL 70 3HG2 VAL 70 -0.589 12.350 -8.234 543 HG22 VAL 70 1HG2 VAL 70 -0.639 12.522 -6.480 544 HG23 VAL 70 2HG2 VAL 70 -1.234 13.824 -7.508 545 HA PRO 71 HA PRO 71 -6.985 11.018 -4.546 546 HB2 PRO 71 2HB PRO 71 -8.393 12.569 -6.691 547 HB3 PRO 71 3HB PRO 71 -8.868 12.300 -5.001 548 HG2 PRO 71 2HG PRO 71 -7.830 14.628 -5.819 549 HG3 PRO 71 3HG PRO 71 -7.486 13.964 -4.212 550 HD2 PRO 71 2HD PRO 71 -5.702 14.133 -6.591 551 HD3 PRO 71 3HD PRO 71 -5.290 14.094 -4.863 552 H VAL 72 H VAL 72 -7.752 9.077 -5.188 553 HA VAL 72 HA VAL 72 -7.661 7.113 -6.502 554 HB VAL 72 HB VAL 72 -9.317 7.334 -8.424 555 HG11 VAL 72 1HG1 VAL 72 -11.216 7.873 -6.822 556 HG12 VAL 72 2HG1 VAL 72 -9.986 8.276 -5.624 557 HG13 VAL 72 3HG1 VAL 72 -10.093 6.634 -6.260 558 HG21 VAL 72 3HG2 VAL 72 -10.526 9.418 -8.649 559 HG22 VAL 72 1HG2 VAL 72 -8.812 9.775 -8.835 560 HG23 VAL 72 2HG2 VAL 72 -9.629 10.141 -7.316 561 H HIS 73 H HIS 73 -5.258 7.952 -6.936 562 HA HIS 73 HA HIS 73 -4.742 7.350 -9.741 563 HB2 HIS 73 2HB HIS 73 -4.265 10.126 -8.645 564 HB3 HIS 73 3HB HIS 73 -3.341 9.502 -10.010 565 HD1 HIS 73 HD1 HIS 73 -5.387 8.067 -11.639 566 HD2 HIS 73 HD2 HIS 73 -6.213 11.704 -9.782 567 HE1 HIS 73 HE1 HIS 73 -7.338 9.082 -12.893 568 H ARG 74 H ARG 74 -2.497 9.396 -8.098 569 HA ARG 74 HA ARG 74 -0.959 7.038 -7.098 570 HB2 ARG 74 2HB ARG 74 -0.141 7.613 -9.364 571 HB3 ARG 74 3HB ARG 74 0.196 9.252 -8.809 572 HG2 ARG 74 2HG ARG 74 1.763 8.362 -7.119 573 HG3 ARG 74 3HG ARG 74 1.418 6.723 -7.669 574 HD2 ARG 74 2HD ARG 74 3.486 7.490 -8.690 575 HD3 ARG 74 3HD ARG 74 2.245 7.352 -9.932 576 HE ARG 74 HE ARG 74 2.257 9.718 -10.160 577 HH11 ARG 74 1HH2 ARG 74 4.089 8.649 -7.426 578 HH12 ARG 74 2HH2 ARG 74 4.835 10.191 -7.172 579 HH21 ARG 74 1HH1 ARG 74 3.231 11.711 -9.837 580 HH22 ARG 74 2HH1 ARG 74 4.352 11.921 -8.533 581 H LEU 75 H LEU 75 0.150 7.397 -5.239 582 HA LEU 75 HA LEU 75 0.543 10.183 -4.280 583 HB2 LEU 75 2HB LEU 75 -0.287 9.451 -2.008 584 HB3 LEU 75 3HB LEU 75 -1.546 9.595 -3.231 585 HG LEU 75 HG LEU 75 -0.247 6.908 -2.988 586 HD11 LEU 75 1HD1 LEU 75 -2.055 8.122 -0.888 587 HD12 LEU 75 2HD1 LEU 75 -0.507 7.311 -0.653 588 HD13 LEU 75 3HD1 LEU 75 -1.927 6.376 -1.125 589 HD21 LEU 75 3HD2 LEU 75 -2.476 6.143 -3.544 590 HD22 LEU 75 1HD2 LEU 75 -2.139 7.527 -4.584 591 HD23 LEU 75 2HD2 LEU 75 -3.168 7.721 -3.169 592 H ALA 76 H ALA 76 2.283 10.340 -2.782 593 HA ALA 76 HA ALA 76 3.877 7.831 -2.382 594 HB1 ALA 76 3HB ALA 76 5.021 8.999 -4.119 595 HB2 ALA 76 1HB ALA 76 5.909 9.370 -2.640 596 HB3 ALA 76 2HB ALA 76 4.792 10.555 -3.320 597 H TYR 77 H TYR 77 5.004 7.699 -0.453 598 HA TYR 77 HA TYR 77 4.479 9.853 1.566 599 HB2 TYR 77 2HB TYR 77 3.046 7.902 1.993 600 HB3 TYR 77 3HB TYR 77 4.464 6.851 1.988 601 HD1 TYR 77 HD2 TYR 77 2.976 9.825 3.684 602 HD2 TYR 77 HD1 TYR 77 5.742 6.548 3.955 603 HE1 TYR 77 HE2 TYR 77 3.358 10.344 6.079 604 HE2 TYR 77 HE1 TYR 77 6.124 7.069 6.349 605 HH TYR 77 HH TYR 77 4.451 8.417 8.220 606 H SER 78 H SER 78 6.289 10.625 2.459 607 HA SER 78 HA SER 78 8.888 9.489 1.798 608 HB2 SER 78 2HB SER 78 9.790 11.429 2.766 609 HB3 SER 78 3HB SER 78 8.232 11.981 2.152 610 HG SER 78 HG SER 78 7.393 11.835 4.204 611 H PHE 79 H PHE 79 10.502 8.963 3.498 612 HA PHE 79 HA PHE 79 9.377 8.084 6.098 613 HB2 PHE 79 2HB PHE 79 9.091 6.145 4.581 614 HB3 PHE 79 3HB PHE 79 10.816 6.193 4.215 615 HD1 PHE 79 HD1 PHE 79 8.409 5.928 7.060 616 HD2 PHE 79 HD2 PHE 79 12.354 5.053 5.603 617 HE1 PHE 79 HE1 PHE 79 8.864 4.589 9.097 618 HE2 PHE 79 HE2 PHE 79 12.809 3.713 7.640 619 HZ PHE 79 HZ PHE 79 11.064 3.483 9.388 620 H GLY 80 H GLY 80 10.862 8.261 7.712 621 HA2 GLY 80 2HA GLY 80 12.972 8.467 8.759 622 HA3 GLY 80 3HA GLY 80 13.739 8.209 7.192 623 H TRP 81 H TRP 81 14.420 9.957 6.049 624 HA TRP 81 HA TRP 81 15.134 12.159 5.734 625 HB2 TRP 81 2HB TRP 81 12.761 12.348 5.008 626 HB3 TRP 81 3HB TRP 81 12.315 12.795 6.652 627 HD1 TRP 81 HD1 TRP 81 15.036 13.970 4.149 628 HE1 TRP 81 HE1 TRP 81 15.107 16.547 4.193 629 HE3 TRP 81 HE3 TRP 81 11.401 14.894 7.615 630 HZ2 TRP 81 HZ2 TRP 81 13.794 18.713 5.521 631 HZ3 TRP 81 HZ3 TRP 81 10.830 17.219 8.249 632 HH2 TRP 81 HH2 TRP 81 12.021 19.129 7.206 633 H ASP 82 H ASP 82 12.911 13.152 8.272 634 HA ASP 82 HA ASP 82 14.992 14.557 9.667 635 HB2 ASP 82 2HB ASP 82 13.262 15.053 11.326 636 HB3 ASP 82 3HB ASP 82 12.628 15.265 9.696 637 H GLY 83 H GLY 83 16.125 14.035 11.481 638 HA2 GLY 83 2HA GLY 83 17.111 12.689 13.120 639 HA3 GLY 83 3HA GLY 83 15.520 11.955 13.317 640 H SER 84 H SER 84 15.707 9.828 13.177 641 HA SER 84 HA SER 84 16.239 7.707 12.369 642 HB2 SER 84 2HB SER 84 16.354 7.411 10.054 643 HB3 SER 84 3HB SER 84 15.496 8.942 10.187 644 HG SER 84 HG SER 84 18.169 8.420 9.478 645 H GLU 85 H GLU 85 18.185 6.514 11.188 646 HA GLU 85 HA GLU 85 20.790 7.787 11.892 647 HB2 GLU 85 2HB GLU 85 19.774 5.108 12.880 648 HB3 GLU 85 3HB GLU 85 21.459 5.610 12.983 649 HG2 GLU 85 2HG GLU 85 20.823 7.539 14.353 650 HG3 GLU 85 3HG GLU 85 19.121 7.098 14.210 651 H VAL 86 H VAL 86 19.311 4.763 10.695 652 HA VAL 86 HA VAL 86 21.539 4.426 8.777 653 HB VAL 86 HB VAL 86 20.619 2.231 8.365 654 HG11 VAL 86 1HG1 VAL 86 20.729 1.290 10.578 655 HG12 VAL 86 2HG1 VAL 86 20.217 2.810 11.309 656 HG13 VAL 86 3HG1 VAL 86 21.807 2.685 10.556 657 HG21 VAL 86 3HG2 VAL 86 18.187 3.356 9.769 658 HG22 VAL 86 1HG2 VAL 86 18.448 1.617 9.628 659 HG23 VAL 86 2HG2 VAL 86 18.279 2.603 8.176 660 H VAL 87 H VAL 87 18.831 6.241 8.790 661 HA VAL 87 HA VAL 87 18.462 5.969 5.823 662 HB VAL 87 HB VAL 87 16.272 6.644 7.805 663 HG11 VAL 87 1HG1 VAL 87 14.837 6.184 5.798 664 HG12 VAL 87 2HG1 VAL 87 16.308 6.027 4.835 665 HG13 VAL 87 3HG1 VAL 87 15.906 7.571 5.587 666 HG21 VAL 87 3HG2 VAL 87 17.105 4.032 6.527 667 HG22 VAL 87 1HG2 VAL 87 15.438 4.309 7.032 668 HG23 VAL 87 2HG2 VAL 87 16.739 4.357 8.219 669 HA PRO 88 HA PRO 88 19.786 10.273 7.026 670 HB2 PRO 88 2HB PRO 88 21.044 10.082 4.327 671 HB3 PRO 88 3HB PRO 88 21.755 10.610 5.865 672 HG2 PRO 88 2HG PRO 88 22.364 8.245 4.765 673 HG3 PRO 88 3HG PRO 88 22.267 8.469 6.522 674 HD2 PRO 88 2HD PRO 88 20.296 7.157 4.678 675 HD3 PRO 88 3HD PRO 88 20.739 6.733 6.344 676 HA PRO 89 HA PRO 89 17.051 12.748 4.572 677 HB2 PRO 89 2HB PRO 89 19.248 14.063 3.027 678 HB3 PRO 89 3HB PRO 89 17.972 14.796 4.022 679 HG2 PRO 89 2HG PRO 89 20.454 14.681 4.918 680 HG3 PRO 89 3HG PRO 89 19.090 14.354 6.007 681 HD2 PRO 89 2HD PRO 89 20.940 12.395 4.667 682 HD3 PRO 89 3HD PRO 89 20.325 12.395 6.338 683 H GLY 90 H GLY 90 15.811 12.546 2.767 684 HA2 GLY 90 2HA GLY 90 15.066 11.467 0.803 685 HA3 GLY 90 3HA GLY 90 16.444 12.312 0.099 686 H SER 91 H SER 91 17.209 10.011 2.525 687 HA SER 91 HA SER 91 18.669 8.374 0.617 688 HB2 SER 91 2HB SER 91 19.276 7.033 2.577 689 HB3 SER 91 3HB SER 91 19.438 8.747 2.962 690 HG SER 91 HG SER 91 17.920 6.914 4.149 691 H SER 92 H SER 92 15.463 8.447 1.793 692 HA SER 92 HA SER 92 14.892 5.901 0.382 693 HB2 SER 92 2HB SER 92 13.465 5.152 2.334 694 HB3 SER 92 3HB SER 92 15.200 5.104 2.635 695 HG SER 92 HG SER 92 13.753 6.154 4.259 696 H LEU 93 H LEU 93 12.648 5.663 -0.152 697 HA LEU 93 HA LEU 93 10.747 7.776 0.488 698 HB2 LEU 93 2HB LEU 93 11.998 8.954 -1.246 699 HB3 LEU 93 3HB LEU 93 11.861 7.570 -2.328 700 HG LEU 93 HG LEU 93 9.432 7.842 -2.436 701 HD11 LEU 93 1HD1 LEU 93 9.957 9.878 -0.277 702 HD12 LEU 93 2HD1 LEU 93 8.724 8.620 -0.350 703 HD13 LEU 93 3HD1 LEU 93 8.558 10.071 -1.335 704 HD21 LEU 93 3HD2 LEU 93 10.863 9.180 -3.968 705 HD22 LEU 93 1HD2 LEU 93 10.838 10.506 -2.805 706 HD23 LEU 93 2HD2 LEU 93 9.346 9.998 -3.596 707 H VAL 94 H VAL 94 8.762 6.848 0.469 708 HA VAL 94 HA VAL 94 8.460 4.190 -0.851 709 HB VAL 94 HB VAL 94 6.611 5.507 1.152 710 HG11 VAL 94 1HG1 VAL 94 7.027 2.583 0.469 711 HG12 VAL 94 2HG1 VAL 94 5.799 3.582 -0.305 712 HG13 VAL 94 3HG1 VAL 94 5.726 3.283 1.430 713 HG21 VAL 94 3HG2 VAL 94 7.801 3.839 2.739 714 HG22 VAL 94 1HG2 VAL 94 8.674 5.311 2.314 715 HG23 VAL 94 2HG2 VAL 94 9.077 3.790 1.521 716 H GLU 95 H GLU 95 7.075 3.925 -2.536 717 HA GLU 95 HA GLU 95 5.253 6.196 -3.257 718 HB2 GLU 95 2HB GLU 95 6.985 4.496 -5.056 719 HB3 GLU 95 3HB GLU 95 5.717 5.571 -5.648 720 HG2 GLU 95 2HG GLU 95 6.829 7.493 -4.618 721 HG3 GLU 95 3HG GLU 95 8.070 6.437 -3.943 722 H ILE 96 H ILE 96 3.207 5.625 -3.802 723 HA ILE 96 HA ILE 96 2.563 2.711 -4.111 724 HB ILE 96 HB ILE 96 0.998 4.840 -2.623 725 HG12 ILE 96 2HG1 ILE 96 2.142 2.207 -1.647 726 HG13 ILE 96 3HG1 ILE 96 2.991 3.744 -1.487 727 HG21 ILE 96 1HG2 ILE 96 -0.593 3.468 -3.767 728 HG22 ILE 96 2HG2 ILE 96 -0.509 2.832 -2.123 729 HG23 ILE 96 3HG2 ILE 96 0.329 2.003 -3.437 730 HD11 ILE 96 3HD1 ILE 96 1.677 3.099 0.556 731 HD12 ILE 96 1HD1 ILE 96 0.206 3.234 -0.408 732 HD13 ILE 96 2HD1 ILE 96 1.208 4.657 -0.124 733 H ASP 97 H ASP 97 1.470 2.291 -5.975 734 HA ASP 97 HA ASP 97 0.119 4.581 -7.378 735 HB2 ASP 97 2HB ASP 97 1.755 2.338 -8.595 736 HB3 ASP 97 3HB ASP 97 0.841 3.538 -9.513 737 H LEU 98 H LEU 98 -1.849 4.140 -8.269 738 HA LEU 98 HA LEU 98 -3.021 1.436 -7.741 739 HB2 LEU 98 2HB LEU 98 -4.401 4.084 -8.280 740 HB3 LEU 98 3HB LEU 98 -5.200 2.571 -7.852 741 HG LEU 98 HG LEU 98 -3.211 4.064 -6.109 742 HD11 LEU 98 1HD1 LEU 98 -5.067 4.756 -4.785 743 HD12 LEU 98 2HD1 LEU 98 -6.165 3.653 -5.613 744 HD13 LEU 98 3HD1 LEU 98 -5.547 5.076 -6.451 745 HD21 LEU 98 3HD2 LEU 98 -4.254 2.374 -4.391 746 HD22 LEU 98 1HD2 LEU 98 -3.001 1.798 -5.488 747 HD23 LEU 98 2HD2 LEU 98 -4.699 1.451 -5.825 748 H ILE 99 H ILE 99 -3.381 0.176 -9.485 749 HA ILE 99 HA ILE 99 -3.735 1.478 -12.162 750 HB ILE 99 HB ILE 99 -2.032 -0.930 -11.490 751 HG12 ILE 99 2HG1 ILE 99 -1.309 1.697 -12.819 752 HG13 ILE 99 3HG1 ILE 99 -1.119 1.405 -11.091 753 HG21 ILE 99 1HG2 ILE 99 -1.531 -0.785 -14.001 754 HG22 ILE 99 2HG2 ILE 99 -2.971 0.226 -14.121 755 HG23 ILE 99 3HG2 ILE 99 -3.108 -1.439 -13.557 756 HD11 ILE 99 3HD1 ILE 99 0.981 0.985 -12.370 757 HD12 ILE 99 1HD1 ILE 99 0.146 -0.284 -13.267 758 HD13 ILE 99 2HD1 ILE 99 0.401 -0.452 -11.529 759 H GLU 100 H GLU 100 -5.485 0.800 -13.207 760 HA GLU 100 HA GLU 100 -7.293 -1.118 -12.035 761 HB2 GLU 100 2HB GLU 100 -7.249 0.236 -14.745 762 HB3 GLU 100 3HB GLU 100 -8.590 -0.749 -14.163 763 HG2 GLU 100 2HG GLU 100 -7.516 1.717 -12.759 764 HG3 GLU 100 3HG GLU 100 -8.958 1.688 -13.772 765 H GLN 101 H GLN 101 -7.307 -3.269 -12.297 766 HA GLN 101 HA GLN 101 -6.657 -4.580 -14.777 767 HB2 GLN 101 2HB GLN 101 -4.354 -4.014 -14.129 768 HB3 GLN 101 3HB GLN 101 -4.597 -4.788 -12.562 769 HG2 GLN 101 2HG GLN 101 -4.899 -6.949 -13.596 770 HG3 GLN 101 3HG GLN 101 -4.910 -6.232 -15.208 771 HE21 GLN 101 1HE2 GLN 101 -3.007 -8.267 -14.343 772 HE22 GLN 101 2HE2 GLN 101 -1.465 -7.563 -14.393 773 H GLY 102 H GLY 102 -7.395 -6.692 -14.740 774 HA2 GLY 102 2HA GLY 102 -8.248 -8.709 -13.848 775 HA3 GLY 102 3HA GLY 102 -7.842 -8.140 -12.228 776 H GLY 103 H GLY 103 -9.558 -5.821 -13.997 777 HA2 GLY 103 2HA GLY 103 -11.846 -5.203 -14.036 778 HA3 GLY 103 3HA GLY 103 -12.249 -6.785 -13.365 779 H GLY 104 H GLY 104 -9.804 -5.496 -11.532 780 HA2 GLY 104 2HA GLY 104 -11.713 -4.244 -9.573 781 HA3 GLY 104 3HA GLY 104 -10.448 -5.364 -9.069 782 H THR 105 H THR 105 -8.639 -4.401 -8.325 783 HA THR 105 HA THR 105 -7.571 -2.005 -9.654 784 HB THR 105 HB THR 105 -8.439 -1.910 -6.750 785 HG1 THR 105 HG1 THR 105 -9.999 -0.593 -7.458 786 HG21 THR 105 3HG2 THR 105 -6.433 -0.655 -6.904 787 HG22 THR 105 1HG2 THR 105 -7.713 0.541 -7.088 788 HG23 THR 105 2HG2 THR 105 -6.842 -0.042 -8.507 789 H LEU 106 H LEU 106 -5.506 -2.561 -9.884 790 HA LEU 106 HA LEU 106 -4.182 -4.369 -7.977 791 HB2 LEU 106 2HB LEU 106 -3.785 -4.733 -10.349 792 HB3 LEU 106 3HB LEU 106 -3.257 -3.065 -10.553 793 HG LEU 106 HG LEU 106 -1.303 -3.466 -9.137 794 HD11 LEU 106 1HD1 LEU 106 -2.664 -6.122 -8.683 795 HD12 LEU 106 2HD1 LEU 106 -1.988 -5.007 -7.495 796 HD13 LEU 106 3HD1 LEU 106 -0.915 -5.973 -8.503 797 HD21 LEU 106 3HD2 LEU 106 -0.221 -5.310 -10.530 798 HD22 LEU 106 1HD2 LEU 106 -0.936 -3.983 -11.447 799 HD23 LEU 106 2HD2 LEU 106 -1.790 -5.519 -11.309 800 H LEU 107 H LEU 107 -2.846 -3.697 -6.397 801 HA LEU 107 HA LEU 107 -2.132 -0.792 -6.288 802 HB2 LEU 107 2HB LEU 107 -3.536 -1.705 -4.460 803 HB3 LEU 107 3HB LEU 107 -2.251 -2.844 -4.069 804 HG LEU 107 HG LEU 107 -1.366 0.002 -4.233 805 HD11 LEU 107 1HD1 LEU 107 -2.244 0.445 -1.895 806 HD12 LEU 107 2HD1 LEU 107 -3.325 -0.931 -2.128 807 HD13 LEU 107 3HD1 LEU 107 -3.453 0.479 -3.179 808 HD21 LEU 107 3HD2 LEU 107 -1.029 -1.969 -1.961 809 HD22 LEU 107 1HD2 LEU 107 0.025 -0.625 -2.406 810 HD23 LEU 107 2HD2 LEU 107 -0.046 -2.065 -3.421 811 H ARG 108 H ARG 108 -0.054 -0.295 -6.591 812 HA ARG 108 HA ARG 108 2.021 -2.441 -6.307 813 HB2 ARG 108 2HB ARG 108 1.739 -1.502 -8.591 814 HB3 ARG 108 3HB ARG 108 2.100 0.104 -7.956 815 HG2 ARG 108 2HG ARG 108 4.319 -0.702 -7.207 816 HG3 ARG 108 3HG ARG 108 3.956 -2.296 -7.863 817 HD2 ARG 108 2HD ARG 108 3.629 -1.211 -10.112 818 HD3 ARG 108 3HD ARG 108 4.218 0.294 -9.406 819 HE ARG 108 HE ARG 108 6.039 -1.935 -8.978 820 HH11 ARG 108 1HH2 ARG 108 4.984 0.539 -11.142 821 HH12 ARG 108 2HH2 ARG 108 6.494 0.620 -11.985 822 HH21 ARG 108 1HH1 ARG 108 8.004 -1.839 -10.071 823 HH22 ARG 108 2HH1 ARG 108 8.201 -0.723 -11.381 824 H LEU 109 H LEU 109 3.422 -2.172 -4.684 825 HA LEU 109 HA LEU 109 3.745 0.559 -3.488 826 HB2 LEU 109 2HB LEU 109 2.625 -1.219 -2.062 827 HB3 LEU 109 3HB LEU 109 4.152 -2.099 -2.093 828 HG LEU 109 HG LEU 109 3.957 0.791 -1.210 829 HD11 LEU 109 1HD1 LEU 109 3.760 -1.693 0.502 830 HD12 LEU 109 2HD1 LEU 109 2.494 -0.492 0.237 831 HD13 LEU 109 3HD1 LEU 109 3.960 -0.050 1.110 832 HD21 LEU 109 3HD2 LEU 109 6.061 -0.173 0.146 833 HD22 LEU 109 1HD2 LEU 109 6.223 0.416 -1.505 834 HD23 LEU 109 2HD2 LEU 109 6.099 -1.315 -1.198 835 H THR 110 H THR 110 5.718 1.374 -3.848 836 HA THR 110 HA THR 110 8.028 -0.504 -4.235 837 HB THR 110 HB THR 110 7.567 2.224 -5.473 838 HG1 THR 110 HG1 THR 110 7.505 0.917 -7.389 839 HG21 THR 110 3HG2 THR 110 9.929 1.877 -5.057 840 HG22 THR 110 1HG2 THR 110 9.631 1.601 -6.774 841 HG23 THR 110 2HG2 THR 110 9.838 0.230 -5.683 842 H HIS 111 H HIS 111 9.604 -0.288 -2.780 843 HA HIS 111 HA HIS 111 9.799 2.247 -1.183 844 HB2 HIS 111 2HB HIS 111 8.899 0.227 0.069 845 HB3 HIS 111 3HB HIS 111 10.467 -0.536 -0.198 846 HD1 HIS 111 HD1 HIS 111 12.447 1.622 0.350 847 HD2 HIS 111 HD2 HIS 111 8.985 1.220 2.637 848 HE1 HIS 111 HE1 HIS 111 12.906 2.786 2.553 849 H SER 112 H SER 112 11.779 3.170 -1.213 850 HA SER 112 HA SER 112 14.102 1.543 -2.220 851 HB2 SER 112 2HB SER 112 13.336 3.128 -3.938 852 HB3 SER 112 3HB SER 112 13.454 4.449 -2.779 853 HG SER 112 HG SER 112 15.310 4.144 -4.200 854 H GLY 113 H GLY 113 16.114 2.038 -1.316 855 HA2 GLY 113 2HA GLY 113 17.627 3.145 0.161 856 HA3 GLY 113 3HA GLY 113 16.278 4.042 0.849 857 H LEU 114 H LEU 114 17.552 0.714 0.658 858 HA LEU 114 HA LEU 114 16.729 0.327 3.515 859 HB2 LEU 114 2HB LEU 114 16.550 -1.786 1.353 860 HB3 LEU 114 3HB LEU 114 16.050 -1.954 3.034 861 HG LEU 114 HG LEU 114 14.858 0.097 1.144 862 HD11 LEU 114 1HD1 LEU 114 12.987 -1.421 0.844 863 HD12 LEU 114 2HD1 LEU 114 13.713 -2.596 1.941 864 HD13 LEU 114 3HD1 LEU 114 14.467 -2.259 0.382 865 HD21 LEU 114 3HD2 LEU 114 14.145 -0.942 3.902 866 HD22 LEU 114 1HD2 LEU 114 12.983 -0.080 2.896 867 HD23 LEU 114 2HD2 LEU 114 14.459 0.723 3.420 868 HA PRO 115 HA PRO 115 21.203 -0.757 2.682 869 HB2 PRO 115 2HB PRO 115 22.329 0.951 4.503 870 HB3 PRO 115 3HB PRO 115 21.944 1.438 2.839 871 HG2 PRO 115 2HG PRO 115 20.448 1.975 5.361 872 HG3 PRO 115 3HG PRO 115 20.706 3.026 3.959 873 HD2 PRO 115 2HD PRO 115 18.366 1.626 4.419 874 HD3 PRO 115 3HD PRO 115 18.898 2.142 2.806 875 H SER 116 H SER 116 19.021 -0.835 5.294 876 HA SER 116 HA SER 116 20.900 -2.464 6.971 877 HB2 SER 116 2HB SER 116 18.337 -1.041 7.730 878 HB3 SER 116 3HB SER 116 19.323 -2.008 8.824 879 HG SER 116 HG SER 116 20.617 -0.368 9.015 880 H ALA 117 H ALA 117 20.551 -4.578 7.028 881 HA ALA 117 HA ALA 117 18.484 -5.879 5.532 882 HB1 ALA 117 3HB ALA 117 20.395 -6.831 7.672 883 HB2 ALA 117 1HB ALA 117 20.540 -7.055 5.929 884 HB3 ALA 117 2HB ALA 117 19.294 -7.922 6.830 885 H GLU 118 H GLU 118 18.821 -5.096 8.969 886 HA GLU 118 HA GLU 118 16.542 -6.574 9.892 887 HB2 GLU 118 2HB GLU 118 17.843 -4.055 10.962 888 HB3 GLU 118 3HB GLU 118 16.626 -4.983 11.834 889 HG2 GLU 118 2HG GLU 118 19.271 -6.107 10.866 890 HG3 GLU 118 3HG GLU 118 18.968 -5.549 12.512 891 H GLN 119 H GLN 119 16.907 -3.212 8.783 892 HA GLN 119 HA GLN 119 14.156 -2.474 9.234 893 HB2 GLN 119 2HB GLN 119 16.099 -0.883 8.875 894 HB3 GLN 119 3HB GLN 119 16.036 -1.315 7.168 895 HG2 GLN 119 2HG GLN 119 14.742 0.701 7.447 896 HG3 GLN 119 3HG GLN 119 13.608 -0.621 7.165 897 HE21 GLN 119 1HE2 GLN 119 11.815 -0.020 8.441 898 HE22 GLN 119 2HE2 GLN 119 11.902 0.326 10.100 899 H CYS 120 H CYS 120 15.898 -3.784 6.442 900 HA CYS 120 HA CYS 120 13.734 -3.584 4.568 901 HB2 CYS 120 2HB CYS 120 16.246 -4.118 4.154 902 HB3 CYS 120 3HB CYS 120 15.795 -5.786 4.503 903 HG CYS 120 HG CYS 120 15.209 -4.334 1.921 904 H ALA 121 H ALA 121 14.754 -6.179 6.763 905 HA ALA 121 HA ALA 121 12.807 -8.108 5.927 906 HB1 ALA 121 3HB ALA 121 13.279 -9.204 8.076 907 HB2 ALA 121 1HB ALA 121 14.044 -7.731 8.670 908 HB3 ALA 121 2HB ALA 121 14.785 -8.636 7.352 909 H GLY 122 H GLY 122 12.735 -5.536 8.356 910 HA2 GLY 122 2HA GLY 122 10.158 -6.196 9.456 911 HA3 GLY 122 3HA GLY 122 10.958 -4.632 9.590 912 H HIS 123 H HIS 123 11.174 -4.046 6.821 913 HA HIS 123 HA HIS 123 8.583 -2.914 6.312 914 HB2 HIS 123 2HB HIS 123 11.045 -3.283 4.607 915 HB3 HIS 123 3HB HIS 123 9.601 -2.478 4.000 916 HD1 HIS 123 HD1 HIS 123 11.508 -0.435 3.927 917 HD2 HIS 123 HD2 HIS 123 10.005 -1.556 7.651 918 HE1 HIS 123 HE1 HIS 123 12.011 1.480 5.508 919 H GLU 124 H GLU 124 10.292 -5.671 4.851 920 HA GLU 124 HA GLU 124 8.296 -6.356 2.936 921 HB2 GLU 124 2HB GLU 124 10.329 -8.055 4.401 922 HB3 GLU 124 3HB GLU 124 9.349 -8.652 3.063 923 HG2 GLU 124 2HG GLU 124 10.283 -6.953 1.578 924 HG3 GLU 124 3HG GLU 124 11.197 -6.253 2.913 925 H GLU 125 H GLU 125 8.788 -7.563 6.258 926 HA GLU 125 HA GLU 125 6.454 -9.271 6.219 927 HB2 GLU 125 2HB GLU 125 8.043 -8.089 8.512 928 HB3 GLU 125 3HB GLU 125 6.784 -9.305 8.712 929 HG2 GLU 125 2HG GLU 125 9.241 -9.678 6.974 930 HG3 GLU 125 3HG GLU 125 9.112 -10.254 8.635 931 H GLY 126 H GLY 126 7.053 -5.955 7.318 932 HA2 GLY 126 2HA GLY 126 4.486 -5.551 8.552 933 HA3 GLY 126 3HA GLY 126 5.568 -4.272 8.007 934 H TRP 127 H TRP 127 5.698 -4.584 5.334 935 HA TRP 127 HA TRP 127 3.162 -3.582 4.426 936 HB2 TRP 127 2HB TRP 127 5.664 -4.475 3.002 937 HB3 TRP 127 3HB TRP 127 4.246 -3.918 2.113 938 HD1 TRP 127 HD1 TRP 127 7.343 -2.641 3.460 939 HE1 TRP 127 HE1 TRP 127 7.249 -0.087 3.816 940 HE3 TRP 127 HE3 TRP 127 2.303 -1.883 3.100 941 HZ2 TRP 127 HZ2 TRP 127 5.291 1.996 3.939 942 HZ3 TRP 127 HZ3 TRP 127 1.354 0.389 3.345 943 HH2 TRP 127 HH2 TRP 127 2.839 2.328 3.761 944 H ALA 128 H ALA 128 4.749 -6.726 4.148 945 HA ALA 128 HA ALA 128 2.931 -7.958 2.350 946 HB1 ALA 128 3HB ALA 128 4.967 -9.103 2.915 947 HB2 ALA 128 1HB ALA 128 3.643 -10.099 3.524 948 HB3 ALA 128 2HB ALA 128 4.562 -9.080 4.631 949 H HIS 129 H HIS 129 2.877 -7.886 5.912 950 HA HIS 129 HA HIS 129 0.375 -9.303 6.150 951 HB2 HIS 129 2HB HIS 129 1.822 -7.421 8.028 952 HB3 HIS 129 3HB HIS 129 0.390 -8.343 8.481 953 HD1 HIS 129 HD1 HIS 129 2.656 -9.116 10.150 954 HD2 HIS 129 HD2 HIS 129 2.215 -10.748 6.339 955 HE1 HIS 129 HE1 HIS 129 4.006 -11.259 10.127 956 H TYR 130 H TYR 130 1.218 -5.854 6.181 957 HA TYR 130 HA TYR 130 -1.401 -4.845 6.674 958 HB2 TYR 130 2HB TYR 130 1.123 -3.762 5.487 959 HB3 TYR 130 3HB TYR 130 -0.345 -2.811 5.288 960 HD1 TYR 130 HD2 TYR 130 0.881 -4.961 8.110 961 HD2 TYR 130 HD1 TYR 130 -0.247 -1.027 6.807 962 HE1 TYR 130 HE2 TYR 130 1.093 -4.133 10.430 963 HE2 TYR 130 HE1 TYR 130 -0.035 -0.198 9.129 964 HH TYR 130 HH TYR 130 1.575 -1.416 11.370 965 H LEU 131 H LEU 131 0.290 -5.436 3.606 966 HA LEU 131 HA LEU 131 -1.831 -4.534 1.914 967 HB2 LEU 131 2HB LEU 131 0.408 -6.518 1.491 968 HB3 LEU 131 3HB LEU 131 -0.680 -6.025 0.195 969 HG LEU 131 HG LEU 131 0.900 -4.052 1.869 970 HD11 LEU 131 1HD1 LEU 131 2.505 -5.487 0.737 971 HD12 LEU 131 2HD1 LEU 131 2.455 -3.927 -0.084 972 HD13 LEU 131 3HD1 LEU 131 1.633 -5.319 -0.787 973 HD21 LEU 131 3HD2 LEU 131 -0.793 -3.886 -0.628 974 HD22 LEU 131 1HD2 LEU 131 0.516 -2.729 -0.385 975 HD23 LEU 131 2HD2 LEU 131 -0.795 -2.833 0.786 976 H GLY 132 H GLY 132 -1.080 -7.713 3.264 977 HA2 GLY 132 2HA GLY 132 -3.143 -9.154 1.895 978 HA3 GLY 132 3HA GLY 132 -2.388 -9.651 3.410 979 H ARG 133 H ARG 133 -3.113 -7.364 4.949 980 HA ARG 133 HA ARG 133 -5.741 -8.128 5.818 981 HB2 ARG 133 2HB ARG 133 -4.067 -5.669 6.375 982 HB3 ARG 133 3HB ARG 133 -5.565 -6.040 7.224 983 HG2 ARG 133 2HG ARG 133 -3.410 -8.141 7.110 984 HG3 ARG 133 3HG ARG 133 -3.224 -6.797 8.231 985 HD2 ARG 133 2HD ARG 133 -5.720 -8.509 8.113 986 HD3 ARG 133 3HD ARG 133 -4.373 -8.831 9.205 987 HE ARG 133 HE ARG 133 -5.145 -6.113 9.525 988 HH11 ARG 133 1HH2 ARG 133 -6.294 -9.322 10.048 989 HH12 ARG 133 2HH2 ARG 133 -7.275 -8.886 11.407 990 HH21 ARG 133 1HH1 ARG 133 -6.417 -5.532 11.288 991 HH22 ARG 133 2HH1 ARG 133 -7.345 -6.742 12.107 992 H LEU 134 H LEU 134 -4.551 -5.413 3.885 993 HA LEU 134 HA LEU 134 -7.079 -4.086 3.645 994 HB2 LEU 134 2HB LEU 134 -4.956 -2.951 3.131 995 HB3 LEU 134 3HB LEU 134 -4.688 -4.053 1.782 996 HG LEU 134 HG LEU 134 -6.711 -3.211 0.660 997 HD11 LEU 134 1HD1 LEU 134 -8.225 -2.572 2.322 998 HD12 LEU 134 2HD1 LEU 134 -7.654 -1.005 1.755 999 HD13 LEU 134 3HD1 LEU 134 -7.005 -1.693 3.245 1000 HD21 LEU 134 3HD2 LEU 134 -5.865 -1.034 0.054 1001 HD22 LEU 134 1HD2 LEU 134 -4.473 -2.067 0.383 1002 HD23 LEU 134 2HD2 LEU 134 -4.998 -0.884 1.583 1003 H THR 135 H THR 135 -5.473 -6.549 1.674 1004 HA THR 135 HA THR 135 -7.316 -6.565 -0.503 1005 HB THR 135 HB THR 135 -5.706 -8.852 0.660 1006 HG1 THR 135 HG1 THR 135 -5.117 -7.241 -1.581 1007 HG21 THR 135 3HG2 THR 135 -7.338 -9.810 -0.776 1008 HG22 THR 135 1HG2 THR 135 -5.881 -9.670 -1.760 1009 HG23 THR 135 2HG2 THR 135 -7.188 -8.498 -1.948 1010 H GLU 136 H GLU 136 -7.286 -8.435 2.521 1011 HA GLU 136 HA GLU 136 -9.597 -10.022 1.986 1012 HB2 GLU 136 2HB GLU 136 -8.429 -9.011 4.589 1013 HB3 GLU 136 3HB GLU 136 -9.724 -10.205 4.500 1014 HG2 GLU 136 2HG GLU 136 -8.279 -11.708 3.212 1015 HG3 GLU 136 3HG GLU 136 -6.994 -10.502 3.214 1016 H VAL 137 H VAL 137 -9.288 -6.892 3.664 1017 HA VAL 137 HA VAL 137 -12.108 -6.583 4.172 1018 HB VAL 137 HB VAL 137 -9.841 -4.584 3.975 1019 HG11 VAL 137 1HG1 VAL 137 -11.511 -3.101 5.252 1020 HG12 VAL 137 2HG1 VAL 137 -12.757 -4.210 4.684 1021 HG13 VAL 137 3HG1 VAL 137 -11.796 -3.297 3.523 1022 HG21 VAL 137 3HG2 VAL 137 -9.940 -4.609 6.395 1023 HG22 VAL 137 1HG2 VAL 137 -9.836 -6.280 5.839 1024 HG23 VAL 137 2HG2 VAL 137 -11.384 -5.621 6.368 1025 H ALA 138 H ALA 138 -9.980 -5.438 1.573 1026 HA ALA 138 HA ALA 138 -11.969 -3.957 0.140 1027 HB1 ALA 138 3HB ALA 138 -9.397 -5.301 -0.702 1028 HB2 ALA 138 1HB ALA 138 -9.682 -3.580 -0.445 1029 HB3 ALA 138 2HB ALA 138 -10.393 -4.395 -1.839 1030 H ALA 139 H ALA 139 -11.022 -7.350 0.115 1031 HA ALA 139 HA ALA 139 -12.582 -8.107 -2.187 1032 HB1 ALA 139 3HB ALA 139 -11.816 -9.849 0.169 1033 HB2 ALA 139 1HB ALA 139 -10.712 -9.457 -1.147 1034 HB3 ALA 139 2HB ALA 139 -12.178 -10.384 -1.472 1035 H GLY 140 H GLY 140 -13.607 -6.818 0.636 1036 HA2 GLY 140 2HA GLY 140 -16.296 -6.974 0.377 1037 HA3 GLY 140 3HA GLY 140 -15.949 -8.567 1.053 1038 H ARG 141 H ARG 141 -15.830 -8.712 3.228 1039 HA ARG 141 HA ARG 141 -15.085 -6.327 4.837 1040 HB2 ARG 141 2HB ARG 141 -17.696 -7.840 5.045 1041 HB3 ARG 141 3HB ARG 141 -17.063 -6.868 6.373 1042 HG2 ARG 141 2HG ARG 141 -17.014 -4.887 4.905 1043 HG3 ARG 141 3HG ARG 141 -17.634 -5.857 3.569 1044 HD2 ARG 141 2HD ARG 141 -19.689 -6.319 4.839 1045 HD3 ARG 141 3HD ARG 141 -19.070 -5.385 6.201 1046 HE ARG 141 HE ARG 141 -19.103 -3.818 3.767 1047 HH11 ARG 141 1HH2 ARG 141 -21.024 -5.070 6.353 1048 HH12 ARG 141 2HH2 ARG 141 -22.199 -3.801 6.259 1049 HH21 ARG 141 1HH1 ARG 141 -20.625 -2.167 3.644 1050 HH22 ARG 141 2HH1 ARG 141 -21.974 -2.160 4.729 1051 H ASP 142 H ASP 142 -13.340 -7.173 5.846 1052 HA ASP 142 HA ASP 142 -13.691 -9.313 7.775 1053 HB2 ASP 142 2HB ASP 142 -13.403 -10.670 5.721 1054 HB3 ASP 142 3HB ASP 142 -11.890 -9.830 5.383 1055 HA PRO 143 HA PRO 143 -10.425 -5.954 8.464 1056 HB2 PRO 143 2HB PRO 143 -11.696 -6.093 11.170 1057 HB3 PRO 143 3HB PRO 143 -11.268 -4.668 10.201 1058 HG2 PRO 143 2HG PRO 143 -13.810 -5.451 10.498 1059 HG3 PRO 143 3HG PRO 143 -13.222 -4.737 8.986 1060 HD2 PRO 143 2HD PRO 143 -13.833 -7.608 9.602 1061 HD3 PRO 143 3HD PRO 143 -14.036 -6.710 8.082 1062 H GLY 144 H GLY 144 -11.502 -8.797 10.196 1063 HA2 GLY 144 2HA GLY 144 -10.253 -10.557 11.125 1064 HA3 GLY 144 3HA GLY 144 -8.795 -9.789 10.502 1065 HA PRO 145 HA PRO 145 -9.259 -9.318 15.215 1066 HB2 PRO 145 2HB PRO 145 -7.040 -10.797 15.907 1067 HB3 PRO 145 3HB PRO 145 -8.667 -11.489 15.743 1068 HG2 PRO 145 2HG PRO 145 -6.415 -11.477 13.774 1069 HG3 PRO 145 3HG PRO 145 -7.500 -12.803 14.228 1070 HD2 PRO 145 2HD PRO 145 -7.890 -11.387 11.957 1071 HD3 PRO 145 3HD PRO 145 -9.260 -11.993 12.917 1072 H ASP 146 H ASP 146 -8.102 -7.780 16.363 1073 HA ASP 146 HA ASP 146 -5.393 -7.015 15.571 1074 HB2 ASP 146 2HB ASP 146 -6.148 -4.593 15.172 1075 HB3 ASP 146 3HB ASP 146 -6.502 -5.745 13.885 1076 HA PRO 147 HA PRO 147 -7.005 -6.231 19.993 1077 HB2 PRO 147 2HB PRO 147 -5.171 -7.933 21.218 1078 HB3 PRO 147 3HB PRO 147 -6.825 -8.397 20.770 1079 HG2 PRO 147 2HG PRO 147 -4.266 -8.903 19.317 1080 HG3 PRO 147 3HG PRO 147 -5.661 -9.971 19.541 1081 HD2 PRO 147 2HD PRO 147 -5.247 -8.659 17.209 1082 HD3 PRO 147 3HD PRO 147 -6.886 -8.953 17.832 1083 H PHE 148 H PHE 148 -6.160 -4.192 20.215 1084 HA PHE 148 HA PHE 148 -3.288 -3.682 19.903 1085 HB2 PHE 148 2HB PHE 148 -5.510 -1.828 20.796 1086 HB3 PHE 148 3HB PHE 148 -3.888 -1.347 20.298 1087 HD1 PHE 148 HD1 PHE 148 -3.120 -2.000 17.923 1088 HD2 PHE 148 HD2 PHE 148 -7.226 -2.099 19.186 1089 HE1 PHE 148 HE1 PHE 148 -3.850 -1.958 15.553 1090 HE2 PHE 148 HE2 PHE 148 -7.954 -2.058 16.815 1091 HZ PHE 148 HZ PHE 148 -6.266 -1.987 15.000 1092 H TYR 149 H TYR 149 -1.877 -3.124 21.551 1093 HA TYR 149 HA TYR 149 -2.157 -4.336 24.080 1094 HB2 TYR 149 2HB TYR 149 -0.455 -1.939 23.329 1095 HB3 TYR 149 3HB TYR 149 -0.224 -2.944 24.761 1096 HD1 TYR 149 HD1 TYR 149 0.224 -5.432 24.448 1097 HD2 TYR 149 HD2 TYR 149 0.421 -2.607 21.218 1098 HE1 TYR 149 HE1 TYR 149 1.545 -7.053 23.113 1099 HE2 TYR 149 HE2 TYR 149 1.742 -4.228 19.883 1100 HH TYR 149 HH TYR 149 2.116 -6.648 19.774 1101 H GLY 150 H GLY 150 -4.224 -3.784 24.889 1102 HA2 GLY 150 2HA GLY 150 -5.102 -1.083 25.342 1103 HA3 GLY 150 3HA GLY 150 -5.775 -2.519 26.111 1104 H ARG 151 H ARG 151 -3.977 0.268 26.633 1105 HA ARG 151 HA ARG 151 -2.464 -0.727 28.945 1106 HB2 ARG 151 2HB ARG 151 -1.772 1.646 29.180 1107 HB3 ARG 151 3HB ARG 151 -1.502 1.040 27.546 1108 HG2 ARG 151 2HG ARG 151 -3.738 2.037 26.902 1109 HG3 ARG 151 3HG ARG 151 -3.783 2.797 28.491 1110 HD2 ARG 151 2HD ARG 151 -1.539 3.182 26.482 1111 HD3 ARG 151 3HD ARG 151 -2.871 4.312 26.711 1112 HE ARG 151 HE ARG 151 -1.678 3.883 29.245 1113 HH11 ARG 151 1HH2 ARG 151 -0.929 5.207 26.141 1114 HH12 ARG 151 2HH2 ARG 151 0.194 6.367 26.767 1115 HH21 ARG 151 1HH1 ARG 151 -0.221 5.388 30.063 1116 HH22 ARG 151 2HH1 ARG 151 0.594 6.469 28.982 1117 H ARG 152 H ARG 152 -3.139 -0.662 31.016 1118 HA ARG 152 HA ARG 152 -5.888 -0.056 31.660 1119 HB2 ARG 152 2HB ARG 152 -5.224 -0.601 33.964 1120 HB3 ARG 152 3HB ARG 152 -4.548 -1.783 32.846 1121 HG2 ARG 152 2HG ARG 152 -2.393 -0.540 32.860 1122 HG3 ARG 152 3HG ARG 152 -3.066 0.588 34.036 1123 HD2 ARG 152 2HD ARG 152 -1.771 -1.084 35.225 1124 HD3 ARG 152 3HD ARG 152 -3.481 -1.335 35.577 1125 HE ARG 152 HE ARG 152 -2.746 -2.939 33.328 1126 HH11 ARG 152 1HH2 ARG 152 -2.283 -2.635 36.735 1127 HH12 ARG 152 2HH2 ARG 152 -2.044 -4.333 36.981 1128 HH21 ARG 152 1HH1 ARG 152 -2.437 -5.144 33.637 1129 HH22 ARG 152 2HH1 ARG 152 -2.130 -5.752 35.230 1130 H LEU 153 H LEU 153 -2.839 1.645 32.037 1131 HA LEU 153 HA LEU 153 -2.366 3.799 32.841 1132 HB2 LEU 153 2HB LEU 153 -3.789 4.135 30.701 1133 HB3 LEU 153 3HB LEU 153 -5.105 4.536 31.803 1134 HG LEU 153 HG LEU 153 -3.280 6.152 32.888 1135 HD11 LEU 153 1HD1 LEU 153 -2.321 5.840 30.030 1136 HD12 LEU 153 2HD1 LEU 153 -1.417 5.410 31.480 1137 HD13 LEU 153 3HD1 LEU 153 -1.791 7.100 31.143 1138 HD21 LEU 153 3HD2 LEU 153 -4.854 6.632 30.347 1139 HD22 LEU 153 1HD2 LEU 153 -3.996 7.927 31.184 1140 HD23 LEU 153 2HD2 LEU 153 -5.299 7.062 31.998 1141 H GLU 154 H GLU 154 -4.991 5.481 33.356 1142 HA GLU 154 HA GLU 154 -5.892 6.325 35.352 1143 HB2 GLU 154 2HB GLU 154 -6.598 3.384 35.472 1144 HB3 GLU 154 3HB GLU 154 -7.294 4.604 36.539 1145 HG2 GLU 154 2HG GLU 154 -8.158 5.839 34.613 1146 HG3 GLU 154 3HG GLU 154 -7.414 4.680 33.513 1147 H HIS 155 H HIS 155 -6.241 5.330 37.863 1148 HA HIS 155 HA HIS 155 -3.642 4.334 38.861 1149 HB2 HIS 155 2HB HIS 155 -4.760 7.053 39.588 1150 HB3 HIS 155 3HB HIS 155 -3.453 6.252 40.459 1151 HD1 HIS 155 HD1 HIS 155 -4.252 7.884 37.163 1152 HD2 HIS 155 HD2 HIS 155 -0.965 6.201 39.097 1153 HE1 HIS 155 HE1 HIS 155 -2.219 8.484 35.776 1154 H HIS 156 H HIS 156 -3.775 3.545 41.003 1155 HA HIS 156 HA HIS 156 -4.932 2.244 42.589 1156 HB2 HIS 156 2HB HIS 156 -4.853 4.505 43.599 1157 HB3 HIS 156 3HB HIS 156 -6.407 4.884 42.859 1158 HD1 HIS 156 HD1 HIS 156 -4.932 2.239 45.191 1159 HD2 HIS 156 HD2 HIS 156 -8.541 4.196 44.466 1160 HE1 HIS 156 HE1 HIS 156 -6.550 1.444 46.971 1161 H HIS 157 H HIS 157 -5.888 1.587 40.133 1162 HA HIS 157 HA HIS 157 -8.691 1.919 39.704 1163 HB2 HIS 157 2HB HIS 157 -7.132 1.030 37.988 1164 HB3 HIS 157 3HB HIS 157 -6.933 -0.433 38.952 1165 HD1 HIS 157 HD1 HIS 157 -9.763 1.548 37.338 1166 HD2 HIS 157 HD2 HIS 157 -8.810 -2.380 38.357 1167 HE1 HIS 157 HE1 HIS 157 -11.656 0.106 36.473 1168 H HIS 158 H HIS 158 -6.871 -0.602 41.440 1169 HA HIS 158 HA HIS 158 -9.118 -1.064 43.225 1170 HB2 HIS 158 2HB HIS 158 -9.895 -2.347 41.270 1171 HB3 HIS 158 3HB HIS 158 -8.382 -3.256 41.259 1172 HD1 HIS 158 HD1 HIS 158 -11.199 -2.487 43.726 1173 HD2 HIS 158 HD2 HIS 158 -8.526 -5.546 42.792 1174 HE1 HIS 158 HE1 HIS 158 -11.772 -4.426 45.248 1175 H HIS 159 H HIS 159 -7.240 -0.438 44.539 1176 HA HIS 159 HA HIS 159 -5.468 -0.909 45.978 1177 HB2 HIS 159 2HB HIS 159 -6.657 -3.673 45.631 1178 HB3 HIS 159 3HB HIS 159 -5.373 -3.311 46.786 1179 HD1 HIS 159 HD1 HIS 159 -8.993 -2.539 46.049 1180 HD2 HIS 159 HD2 HIS 159 -6.194 -1.826 49.057 1181 HE1 HIS 159 HE1 HIS 159 -10.278 -1.595 48.018 1182 H HIS 160 H HIS 160 -3.877 -0.296 44.426 1183 HA HIS 160 HA HIS 160 -2.033 -2.485 43.758 1184 HB2 HIS 160 2HB HIS 160 -3.261 -0.733 41.608 1185 HB3 HIS 160 3HB HIS 160 -1.872 -1.791 41.360 1186 HD1 HIS 160 HD1 HIS 160 -2.391 -4.416 42.127 1187 HD2 HIS 160 HD2 HIS 160 -5.657 -2.025 41.128 1188 HE1 HIS 160 HE1 HIS 160 -4.310 -5.995 41.643 Start of MODEL 20 1 H1 MET 1 1H MET 1 10.886 0.271 -23.779 2 H2 MET 1 2H MET 1 9.864 0.744 -22.506 3 H3 MET 1 3H MET 1 10.711 -0.726 -22.417 4 HA MET 1 HA MET 1 12.193 1.806 -22.685 5 HB2 MET 1 2HB MET 1 11.048 0.591 -20.155 6 HB3 MET 1 3HB MET 1 12.339 1.792 -20.163 7 HG2 MET 1 2HG MET 1 10.857 3.355 -21.391 8 HG3 MET 1 3HG MET 1 9.559 2.165 -21.319 9 HE1 MET 1 3HE MET 1 8.437 1.331 -19.474 10 HE2 MET 1 1HE MET 1 8.366 1.984 -17.833 11 HE3 MET 1 2HE MET 1 9.687 0.918 -18.303 12 H GLU 2 H GLU 2 12.014 -1.188 -20.751 13 HA GLU 2 HA GLU 2 13.620 -2.817 -20.288 14 HB2 GLU 2 2HB GLU 2 14.451 -2.047 -23.104 15 HB3 GLU 2 3HB GLU 2 15.125 -3.417 -22.224 16 HG2 GLU 2 2HG GLU 2 12.898 -4.417 -22.012 17 HG3 GLU 2 3HG GLU 2 12.175 -3.022 -22.812 18 H LYS 3 H LYS 3 14.102 0.038 -19.632 19 HA LYS 3 HA LYS 3 16.873 0.683 -20.007 20 HB2 LYS 3 2HB LYS 3 15.120 2.340 -19.357 21 HB3 LYS 3 3HB LYS 3 15.033 1.582 -17.766 22 HG2 LYS 3 2HG LYS 3 17.415 2.084 -17.385 23 HG3 LYS 3 3HG LYS 3 17.526 2.812 -18.986 24 HD2 LYS 3 2HD LYS 3 15.838 4.498 -18.336 25 HD3 LYS 3 3HD LYS 3 15.741 3.779 -16.729 26 HE2 LYS 3 2HE LYS 3 18.141 4.264 -16.371 27 HE3 LYS 3 3HE LYS 3 18.228 4.997 -17.972 28 HZ1 LYS 3 3HZ LYS 3 16.563 6.609 -17.282 29 HZ2 LYS 3 1HZ LYS 3 17.915 6.669 -16.260 30 HZ3 LYS 3 2HZ LYS 3 16.491 5.903 -15.738 31 H ALA 4 H ALA 4 18.637 -0.015 -18.969 32 HA ALA 4 HA ALA 4 18.303 -1.958 -16.736 33 HB1 ALA 4 3HB ALA 4 20.607 -1.350 -18.605 34 HB2 ALA 4 1HB ALA 4 19.645 -2.824 -18.525 35 HB3 ALA 4 2HB ALA 4 20.755 -2.424 -17.214 36 H MET 5 H MET 5 18.311 -0.986 -14.807 37 HA MET 5 HA MET 5 20.634 0.379 -13.821 38 HB2 MET 5 2HB MET 5 19.535 2.198 -15.207 39 HB3 MET 5 3HB MET 5 18.175 2.123 -14.088 40 HG2 MET 5 2HG MET 5 19.558 3.854 -13.237 41 HG3 MET 5 3HG MET 5 19.917 2.458 -12.222 42 HE1 MET 5 3HE MET 5 21.564 4.642 -12.011 43 HE2 MET 5 1HE MET 5 23.227 4.454 -12.582 44 HE3 MET 5 2HE MET 5 22.535 3.275 -11.470 45 HA PRO 6 HA PRO 6 17.711 -1.806 -10.859 46 HB2 PRO 6 2HB PRO 6 20.375 -2.699 -9.824 47 HB3 PRO 6 3HB PRO 6 18.903 -3.649 -10.118 48 HG2 PRO 6 2HG PRO 6 20.993 -3.822 -11.755 49 HG3 PRO 6 3HG PRO 6 19.334 -3.860 -12.380 50 HD2 PRO 6 2HD PRO 6 21.310 -1.595 -12.421 51 HD3 PRO 6 3HD PRO 6 20.140 -2.088 -13.665 52 H GLU 7 H GLU 7 17.172 -1.033 -8.855 53 HA GLU 7 HA GLU 7 18.684 1.291 -7.844 54 HB2 GLU 7 2HB GLU 7 16.028 0.072 -7.057 55 HB3 GLU 7 3HB GLU 7 16.738 1.481 -6.263 56 HG2 GLU 7 2HG GLU 7 16.767 2.695 -8.393 57 HG3 GLU 7 3HG GLU 7 16.116 1.285 -9.226 58 H SER 8 H SER 8 19.307 1.465 -5.621 59 HA SER 8 HA SER 8 20.609 -0.927 -4.632 60 HB2 SER 8 2HB SER 8 21.671 0.491 -3.113 61 HB3 SER 8 3HB SER 8 21.301 1.598 -4.429 62 HG SER 8 HG SER 8 20.475 2.629 -2.731 63 H PHE 9 H PHE 9 19.913 -2.333 -3.188 64 HA PHE 9 HA PHE 9 18.177 -3.507 -2.062 65 HB2 PHE 9 2HB PHE 9 17.950 -2.383 0.268 66 HB3 PHE 9 3HB PHE 9 19.542 -2.936 -0.246 67 HD1 PHE 9 HD1 PHE 9 21.216 -1.301 -1.131 68 HD2 PHE 9 HD2 PHE 9 17.478 -0.050 0.577 69 HE1 PHE 9 HE1 PHE 9 22.105 0.999 -0.869 70 HE2 PHE 9 HE2 PHE 9 18.366 2.252 0.834 71 HZ PHE 9 HZ PHE 9 20.679 2.776 0.111 72 H VAL 10 H VAL 10 16.297 -3.314 -3.252 73 HA VAL 10 HA VAL 10 14.347 -1.304 -2.207 74 HB VAL 10 HB VAL 10 14.874 -1.982 -5.115 75 HG11 VAL 10 1HG1 VAL 10 12.502 -1.920 -4.897 76 HG12 VAL 10 2HG1 VAL 10 12.954 -0.308 -5.455 77 HG13 VAL 10 3HG1 VAL 10 12.565 -0.577 -3.757 78 HG21 VAL 10 3HG2 VAL 10 15.228 0.457 -3.366 79 HG22 VAL 10 1HG2 VAL 10 14.929 0.649 -5.089 80 HG23 VAL 10 2HG2 VAL 10 16.342 -0.242 -4.538 81 H VAL 11 H VAL 11 12.390 -2.106 -1.796 82 HA VAL 11 HA VAL 11 11.888 -4.982 -2.486 83 HB VAL 11 HB VAL 11 10.973 -3.311 -0.130 84 HG11 VAL 11 1HG1 VAL 11 9.086 -4.656 -0.700 85 HG12 VAL 11 2HG1 VAL 11 9.925 -5.561 0.560 86 HG13 VAL 11 3HG1 VAL 11 10.102 -6.032 -1.129 87 HG21 VAL 11 3HG2 VAL 11 13.299 -4.346 -0.171 88 HG22 VAL 11 1HG2 VAL 11 12.505 -5.921 -0.219 89 HG23 VAL 11 2HG2 VAL 11 12.270 -4.858 1.170 90 H ARG 12 H ARG 12 10.155 -5.443 -3.650 91 HA ARG 12 HA ARG 12 8.119 -3.296 -4.162 92 HB2 ARG 12 2HB ARG 12 9.268 -5.384 -6.030 93 HB3 ARG 12 3HB ARG 12 7.857 -4.394 -6.409 94 HG2 ARG 12 2HG ARG 12 9.201 -2.351 -6.101 95 HG3 ARG 12 3HG ARG 12 10.615 -3.337 -5.726 96 HD2 ARG 12 2HD ARG 12 10.455 -4.392 -7.962 97 HD3 ARG 12 3HD ARG 12 9.081 -3.352 -8.341 98 HE ARG 12 HE ARG 12 11.900 -2.524 -8.216 99 HH11 ARG 12 1HH2 ARG 12 8.555 -1.615 -8.250 100 HH12 ARG 12 2HH2 ARG 12 8.881 0.003 -8.776 101 HH21 ARG 12 1HH1 ARG 12 12.315 -0.432 -8.898 102 HH22 ARG 12 2HH1 ARG 12 11.002 0.671 -9.140 103 H ARG 13 H ARG 13 6.011 -3.896 -4.050 104 HA ARG 13 HA ARG 13 5.360 -6.778 -3.579 105 HB2 ARG 13 2HB ARG 13 4.285 -4.476 -1.925 106 HB3 ARG 13 3HB ARG 13 3.942 -6.190 -1.701 107 HG2 ARG 13 2HG ARG 13 6.308 -6.620 -1.210 108 HG3 ARG 13 3HG ARG 13 6.683 -4.915 -1.463 109 HD2 ARG 13 2HD ARG 13 5.089 -4.341 0.376 110 HD3 ARG 13 3HD ARG 13 4.867 -6.064 0.672 111 HE ARG 13 HE ARG 13 7.066 -6.167 1.596 112 HH11 ARG 13 1HH2 ARG 13 6.336 -3.081 0.186 113 HH12 ARG 13 2HH2 ARG 13 7.706 -2.298 0.903 114 HH21 ARG 13 1HH1 ARG 13 8.841 -5.138 2.521 115 HH22 ARG 13 2HH1 ARG 13 9.115 -3.456 2.216 116 H GLU 14 H GLU 14 3.189 -7.313 -4.076 117 HA GLU 14 HA GLU 14 1.554 -5.261 -5.485 118 HB2 GLU 14 2HB GLU 14 2.427 -7.912 -6.666 119 HB3 GLU 14 3HB GLU 14 1.180 -6.873 -7.352 120 HG2 GLU 14 2HG GLU 14 3.091 -6.227 -8.548 121 HG3 GLU 14 3HG GLU 14 3.007 -5.010 -7.279 122 H ALA 15 H ALA 15 -0.621 -5.622 -5.341 123 HA ALA 15 HA ALA 15 -1.612 -8.173 -4.177 124 HB1 ALA 15 3HB ALA 15 -2.728 -6.993 -2.359 125 HB2 ALA 15 1HB ALA 15 -2.113 -5.451 -2.956 126 HB3 ALA 15 2HB ALA 15 -0.998 -6.651 -2.310 127 H HIS 16 H HIS 16 -3.694 -8.635 -4.778 128 HA HIS 16 HA HIS 16 -5.018 -6.748 -6.674 129 HB2 HIS 16 2HB HIS 16 -6.420 -8.819 -7.196 130 HB3 HIS 16 3HB HIS 16 -4.720 -8.897 -7.655 131 HD1 HIS 16 HD1 HIS 16 -7.234 -10.785 -5.904 132 HD2 HIS 16 HD2 HIS 16 -3.124 -10.255 -5.439 133 HE1 HIS 16 HE1 HIS 16 -6.416 -12.724 -4.494 134 H LEU 17 H LEU 17 -6.571 -5.527 -5.846 135 HA LEU 17 HA LEU 17 -8.104 -6.484 -3.458 136 HB2 LEU 17 2HB LEU 17 -7.609 -3.704 -4.560 137 HB3 LEU 17 3HB LEU 17 -8.706 -4.051 -3.225 138 HG LEU 17 HG LEU 17 -6.627 -5.293 -2.177 139 HD11 LEU 17 1HD1 LEU 17 -5.354 -3.488 -4.252 140 HD12 LEU 17 2HD1 LEU 17 -5.077 -5.209 -3.996 141 HD13 LEU 17 3HD1 LEU 17 -4.501 -4.041 -2.814 142 HD21 LEU 17 3HD2 LEU 17 -7.612 -3.335 -1.157 143 HD22 LEU 17 1HD2 LEU 17 -6.868 -2.279 -2.358 144 HD23 LEU 17 2HD2 LEU 17 -5.862 -3.123 -1.182 145 H ALA 18 H ALA 18 -10.147 -7.002 -3.700 146 HA ALA 18 HA ALA 18 -11.470 -6.620 -6.311 147 HB1 ALA 18 3HB ALA 18 -12.174 -8.190 -3.819 148 HB2 ALA 18 1HB ALA 18 -11.668 -8.821 -5.385 149 HB3 ALA 18 2HB ALA 18 -13.253 -8.066 -5.208 150 H ALA 19 H ALA 19 -11.594 -4.259 -5.949 151 HA ALA 19 HA ALA 19 -14.216 -3.508 -5.142 152 HB1 ALA 19 3HB ALA 19 -12.044 -2.454 -3.322 153 HB2 ALA 19 1HB ALA 19 -13.149 -3.753 -2.878 154 HB3 ALA 19 2HB ALA 19 -13.774 -2.139 -3.207 155 HA PRO 20 HA PRO 20 -13.429 -0.277 -8.083 156 HB2 PRO 20 2HB PRO 20 -14.553 1.590 -6.019 157 HB3 PRO 20 3HB PRO 20 -14.994 1.412 -7.724 158 HG2 PRO 20 2HG PRO 20 -16.472 0.391 -5.685 159 HG3 PRO 20 3HG PRO 20 -16.432 -0.309 -7.313 160 HD2 PRO 20 2HD PRO 20 -15.324 -1.407 -4.819 161 HD3 PRO 20 3HD PRO 20 -15.587 -2.209 -6.382 162 HA PRO 21 HA PRO 21 -9.614 1.627 -6.823 163 HB2 PRO 21 2HB PRO 21 -9.596 3.902 -8.410 164 HB3 PRO 21 3HB PRO 21 -9.213 2.276 -9.005 165 HG2 PRO 21 2HG PRO 21 -11.744 3.832 -9.247 166 HG3 PRO 21 3HG PRO 21 -10.968 2.749 -10.416 167 HD2 PRO 21 2HD PRO 21 -13.118 1.998 -8.904 168 HD3 PRO 21 3HD PRO 21 -11.894 0.844 -9.466 169 H ALA 22 H ALA 22 -12.485 3.670 -6.853 170 HA ALA 22 HA ALA 22 -11.405 5.785 -5.211 171 HB1 ALA 22 3HB ALA 22 -14.304 4.962 -5.566 172 HB2 ALA 22 1HB ALA 22 -13.430 6.014 -6.678 173 HB3 ALA 22 2HB ALA 22 -13.718 6.532 -5.017 174 H ALA 23 H ALA 23 -13.161 2.801 -4.589 175 HA ALA 23 HA ALA 23 -13.731 3.179 -1.832 176 HB1 ALA 23 3HB ALA 23 -13.747 0.660 -1.751 177 HB2 ALA 23 1HB ALA 23 -13.122 0.654 -3.400 178 HB3 ALA 23 2HB ALA 23 -14.715 1.328 -3.065 179 H VAL 24 H VAL 24 -10.939 1.599 -3.399 180 HA VAL 24 HA VAL 24 -9.501 1.102 -0.960 181 HB VAL 24 HB VAL 24 -8.512 1.403 -3.818 182 HG11 VAL 24 1HG1 VAL 24 -6.544 0.066 -2.883 183 HG12 VAL 24 2HG1 VAL 24 -7.142 0.491 -1.279 184 HG13 VAL 24 3HG1 VAL 24 -6.627 1.758 -2.390 185 HG21 VAL 24 3HG2 VAL 24 -8.405 -1.104 -3.671 186 HG22 VAL 24 1HG2 VAL 24 -10.047 -0.470 -3.561 187 HG23 VAL 24 2HG2 VAL 24 -9.209 -1.003 -2.104 188 H PHE 25 H PHE 25 -9.346 3.723 -3.360 189 HA PHE 25 HA PHE 25 -7.211 5.192 -2.178 190 HB2 PHE 25 2HB PHE 25 -8.164 5.619 -4.458 191 HB3 PHE 25 3HB PHE 25 -9.597 6.301 -3.687 192 HD1 PHE 25 HD1 PHE 25 -5.868 6.630 -3.754 193 HD2 PHE 25 HD2 PHE 25 -9.637 8.588 -3.112 194 HE1 PHE 25 HE1 PHE 25 -4.699 8.803 -3.524 195 HE2 PHE 25 HE2 PHE 25 -8.467 10.762 -2.882 196 HZ PHE 25 HZ PHE 25 -5.998 10.870 -3.087 197 H ALA 26 H ALA 26 -10.729 5.422 -1.711 198 HA ALA 26 HA ALA 26 -10.786 7.603 0.089 199 HB1 ALA 26 3HB ALA 26 -12.956 6.738 0.804 200 HB2 ALA 26 1HB ALA 26 -12.577 5.157 0.118 201 HB3 ALA 26 2HB ALA 26 -12.797 6.548 -0.941 202 H LEU 27 H LEU 27 -10.430 4.127 0.723 203 HA LEU 27 HA LEU 27 -10.297 4.329 3.581 204 HB2 LEU 27 2HB LEU 27 -9.202 2.269 1.639 205 HB3 LEU 27 3HB LEU 27 -9.151 2.070 3.388 206 HG LEU 27 HG LEU 27 -11.729 2.627 1.899 207 HD11 LEU 27 1HD1 LEU 27 -12.139 0.149 2.128 208 HD12 LEU 27 2HD1 LEU 27 -10.441 -0.035 2.568 209 HD13 LEU 27 3HD1 LEU 27 -10.876 0.564 0.968 210 HD21 LEU 27 3HD2 LEU 27 -10.984 1.696 4.680 211 HD22 LEU 27 1HD2 LEU 27 -12.578 1.353 4.012 212 HD23 LEU 27 2HD2 LEU 27 -12.053 3.018 4.213 213 H MET 28 H MET 28 -7.836 4.357 1.050 214 HA MET 28 HA MET 28 -5.586 4.497 2.867 215 HB2 MET 28 2HB MET 28 -5.888 5.173 -0.078 216 HB3 MET 28 3HB MET 28 -4.345 5.177 0.773 217 HG2 MET 28 2HG MET 28 -6.193 2.778 0.622 218 HG3 MET 28 3HG MET 28 -4.815 3.023 -0.446 219 HE1 MET 28 3HE MET 28 -1.754 2.645 1.413 220 HE2 MET 28 1HE MET 28 -2.437 4.237 1.761 221 HE3 MET 28 2HE MET 28 -2.647 3.514 0.168 222 H THR 29 H THR 29 -7.960 6.709 2.016 223 HA THR 29 HA THR 29 -6.220 9.046 2.759 224 HB THR 29 HB THR 29 -8.028 10.395 1.565 225 HG1 THR 29 HG1 THR 29 -9.688 9.162 1.163 226 HG21 THR 29 3HG2 THR 29 -6.538 8.408 -0.166 227 HG22 THR 29 1HG2 THR 29 -5.782 9.808 0.594 228 HG23 THR 29 2HG2 THR 29 -7.047 10.037 -0.612 229 H ASP 30 H ASP 30 -8.376 6.952 4.014 230 HA ASP 30 HA ASP 30 -9.760 9.022 5.695 231 HB2 ASP 30 2HB ASP 30 -11.259 7.548 4.329 232 HB3 ASP 30 3HB ASP 30 -10.644 6.165 5.234 233 HA PRO 31 HA PRO 31 -6.538 7.172 8.468 234 HB2 PRO 31 2HB PRO 31 -7.735 9.342 10.137 235 HB3 PRO 31 3HB PRO 31 -6.036 8.932 9.896 236 HG2 PRO 31 2HG PRO 31 -7.089 11.036 8.688 237 HG3 PRO 31 3HG PRO 31 -5.931 9.995 7.842 238 HD2 PRO 31 2HD PRO 31 -8.900 10.168 7.513 239 HD3 PRO 31 3HD PRO 31 -7.648 9.833 6.298 240 H GLU 32 H GLU 32 -9.863 8.069 9.339 241 HA GLU 32 HA GLU 32 -10.050 6.522 11.736 242 HB2 GLU 32 2HB GLU 32 -11.663 8.310 11.065 243 HB3 GLU 32 3HB GLU 32 -12.279 7.240 9.806 244 HG2 GLU 32 2HG GLU 32 -12.947 5.590 11.479 245 HG3 GLU 32 3HG GLU 32 -12.239 6.568 12.762 246 H LYS 33 H LYS 33 -10.969 5.719 8.387 247 HA LYS 33 HA LYS 33 -11.957 3.087 9.010 248 HB2 LYS 33 2HB LYS 33 -10.843 4.141 6.389 249 HB3 LYS 33 3HB LYS 33 -11.847 2.706 6.585 250 HG2 LYS 33 2HG LYS 33 -12.814 5.400 7.536 251 HG3 LYS 33 3HG LYS 33 -13.013 4.911 5.853 252 HD2 LYS 33 2HD LYS 33 -14.203 2.870 6.607 253 HD3 LYS 33 3HD LYS 33 -14.049 3.405 8.276 254 HE2 LYS 33 2HE LYS 33 -15.332 5.431 7.769 255 HE3 LYS 33 3HE LYS 33 -15.477 4.927 6.084 256 HZ1 LYS 33 3HZ LYS 33 -16.981 3.340 6.588 257 HZ2 LYS 33 1HZ LYS 33 -17.301 4.359 7.905 258 HZ3 LYS 33 2HZ LYS 33 -16.301 3.001 8.109 259 H ILE 34 H ILE 34 -8.800 4.345 8.143 260 HA ILE 34 HA ILE 34 -7.506 1.856 7.626 261 HB ILE 34 HB ILE 34 -6.432 4.490 8.677 262 HG12 ILE 34 2HG1 ILE 34 -6.208 3.223 5.932 263 HG13 ILE 34 3HG1 ILE 34 -7.458 4.384 6.365 264 HG21 ILE 34 1HG2 ILE 34 -4.217 3.527 7.823 265 HG22 ILE 34 2HG2 ILE 34 -5.017 1.956 7.831 266 HG23 ILE 34 3HG2 ILE 34 -4.828 2.856 9.336 267 HD11 ILE 34 3HD1 ILE 34 -4.616 5.141 6.937 268 HD12 ILE 34 1HD1 ILE 34 -5.980 6.154 6.465 269 HD13 ILE 34 2HD1 ILE 34 -5.158 5.169 5.260 270 H LEU 35 H LEU 35 -7.909 3.724 10.612 271 HA LEU 35 HA LEU 35 -6.339 2.043 12.289 272 HB2 LEU 35 2HB LEU 35 -8.694 3.841 12.924 273 HB3 LEU 35 3HB LEU 35 -7.667 3.100 14.151 274 HG LEU 35 HG LEU 35 -6.543 4.813 11.919 275 HD11 LEU 35 1HD1 LEU 35 -6.408 6.604 13.732 276 HD12 LEU 35 2HD1 LEU 35 -7.557 5.631 14.652 277 HD13 LEU 35 3HD1 LEU 35 -8.018 6.293 13.083 278 HD21 LEU 35 3HD2 LEU 35 -5.502 3.710 14.538 279 HD22 LEU 35 1HD2 LEU 35 -4.744 5.106 13.775 280 HD23 LEU 35 2HD2 LEU 35 -4.796 3.566 12.929 281 H ARG 36 H ARG 36 -9.256 1.404 10.745 282 HA ARG 36 HA ARG 36 -10.508 -0.284 12.733 283 HB2 ARG 36 2HB ARG 36 -11.716 0.656 10.751 284 HB3 ARG 36 3HB ARG 36 -10.760 -0.397 9.710 285 HG2 ARG 36 2HG ARG 36 -11.654 -2.378 10.866 286 HG3 ARG 36 3HG ARG 36 -12.596 -1.338 11.932 287 HD2 ARG 36 2HD ARG 36 -13.750 -0.404 9.908 288 HD3 ARG 36 3HD ARG 36 -12.894 -1.593 8.925 289 HE ARG 36 HE ARG 36 -14.243 -2.938 11.064 290 HH11 ARG 36 1HH2 ARG 36 -14.809 -1.239 8.096 291 HH12 ARG 36 2HH2 ARG 36 -16.288 -2.077 7.759 292 HH21 ARG 36 1HH1 ARG 36 -16.163 -4.022 10.622 293 HH22 ARG 36 2HH1 ARG 36 -17.049 -3.646 9.181 294 H TRP 37 H TRP 37 -8.340 -0.899 9.982 295 HA TRP 37 HA TRP 37 -7.962 -3.709 10.968 296 HB2 TRP 37 2HB TRP 37 -7.141 -4.187 8.680 297 HB3 TRP 37 3HB TRP 37 -8.792 -3.574 8.665 298 HD1 TRP 37 HD1 TRP 37 -9.126 -0.985 7.923 299 HE1 TRP 37 HE1 TRP 37 -7.727 0.478 6.326 300 HE3 TRP 37 HE3 TRP 37 -4.804 -3.699 7.793 301 HZ2 TRP 37 HZ2 TRP 37 -5.121 0.497 5.144 302 HZ3 TRP 37 HZ3 TRP 37 -2.884 -2.942 6.425 303 HH2 TRP 37 HH2 TRP 37 -3.036 -0.850 5.102 304 H MET 38 H MET 38 -6.468 -0.642 10.547 305 HA MET 38 HA MET 38 -3.831 -1.818 11.375 306 HB2 MET 38 2HB MET 38 -3.791 -1.076 8.983 307 HB3 MET 38 3HB MET 38 -4.212 0.552 9.520 308 HG2 MET 38 2HG MET 38 -2.181 0.744 10.790 309 HG3 MET 38 3HG MET 38 -1.803 -0.961 10.547 310 HE1 MET 38 3HE MET 38 -0.824 2.574 9.197 311 HE2 MET 38 1HE MET 38 -2.572 2.333 9.116 312 HE3 MET 38 2HE MET 38 -1.639 2.521 7.636 313 H GLY 39 H GLY 39 -4.841 -1.313 13.502 314 HA2 GLY 39 2HA GLY 39 -5.373 1.399 14.311 315 HA3 GLY 39 3HA GLY 39 -5.101 0.041 15.399 316 H THR 40 H THR 40 -3.286 2.150 13.176 317 HA THR 40 HA THR 40 -0.840 1.802 14.819 318 HB THR 40 HB THR 40 0.063 3.414 12.953 319 HG1 THR 40 HG1 THR 40 -1.192 3.336 11.082 320 HG21 THR 40 3HG2 THR 40 0.842 1.210 12.881 321 HG22 THR 40 1HG2 THR 40 0.046 1.390 11.319 322 HG23 THR 40 2HG2 THR 40 -0.770 0.539 12.632 323 H GLU 41 H GLU 41 -1.689 4.790 13.184 324 HA GLU 41 HA GLU 41 -2.521 6.216 15.556 325 HB2 GLU 41 2HB GLU 41 -0.515 7.573 15.896 326 HB3 GLU 41 3HB GLU 41 -0.129 5.868 16.112 327 HG2 GLU 41 2HG GLU 41 0.664 5.807 13.725 328 HG3 GLU 41 3HG GLU 41 0.421 7.551 13.648 329 H ALA 42 H ALA 42 -3.398 8.143 15.027 330 HA ALA 42 HA ALA 42 -2.613 9.775 12.814 331 HB1 ALA 42 3HB ALA 42 -4.231 9.350 11.193 332 HB2 ALA 42 1HB ALA 42 -5.281 8.475 12.308 333 HB3 ALA 42 2HB ALA 42 -3.797 7.726 11.718 334 H GLU 43 H GLU 43 -3.882 11.699 12.677 335 HA GLU 43 HA GLU 43 -5.343 12.285 15.181 336 HB2 GLU 43 2HB GLU 43 -3.518 13.801 14.306 337 HB3 GLU 43 3HB GLU 43 -4.572 14.176 12.943 338 HG2 GLU 43 2HG GLU 43 -4.903 15.909 14.580 339 HG3 GLU 43 3HG GLU 43 -6.334 14.882 14.628 340 H VAL 44 H VAL 44 -7.391 11.466 14.945 341 HA VAL 44 HA VAL 44 -9.210 12.954 13.239 342 HB VAL 44 HB VAL 44 -10.099 10.715 12.212 343 HG11 VAL 44 1HG1 VAL 44 -8.988 11.215 10.233 344 HG12 VAL 44 2HG1 VAL 44 -7.440 11.463 11.034 345 HG13 VAL 44 3HG1 VAL 44 -8.684 12.705 11.117 346 HG21 VAL 44 3HG2 VAL 44 -8.307 9.490 13.765 347 HG22 VAL 44 1HG2 VAL 44 -7.232 9.817 12.405 348 HG23 VAL 44 2HG2 VAL 44 -8.690 8.856 12.169 349 H GLU 45 H GLU 45 -8.722 12.147 16.102 350 HA GLU 45 HA GLU 45 -11.544 11.366 16.665 351 HB2 GLU 45 2HB GLU 45 -9.080 9.980 17.755 352 HB3 GLU 45 3HB GLU 45 -10.675 9.833 18.496 353 HG2 GLU 45 2HG GLU 45 -11.587 9.002 16.347 354 HG3 GLU 45 3HG GLU 45 -9.978 9.115 15.632 355 HA PRO 46 HA PRO 46 -9.859 15.091 19.057 356 HB2 PRO 46 2HB PRO 46 -12.741 15.805 18.583 357 HB3 PRO 46 3HB PRO 46 -11.294 16.832 18.470 358 HG2 PRO 46 2HG PRO 46 -12.519 15.952 16.281 359 HG3 PRO 46 3HG PRO 46 -10.751 16.059 16.359 360 HD2 PRO 46 2HD PRO 46 -12.501 13.626 16.519 361 HD3 PRO 46 3HD PRO 46 -10.885 13.805 15.797 362 H GLU 47 H GLU 47 -12.869 13.250 19.271 363 HA GLU 47 HA GLU 47 -13.813 13.860 21.788 364 HB2 GLU 47 2HB GLU 47 -13.692 11.246 20.282 365 HB3 GLU 47 3HB GLU 47 -14.449 11.327 21.873 366 HG2 GLU 47 2HG GLU 47 -16.023 13.011 21.101 367 HG3 GLU 47 3HG GLU 47 -15.196 13.133 19.551 368 HA PRO 48 HA PRO 48 -10.648 12.673 24.675 369 HB2 PRO 48 2HB PRO 48 -12.173 12.037 26.875 370 HB3 PRO 48 3HB PRO 48 -11.924 13.704 26.317 371 HG2 PRO 48 2HG PRO 48 -14.253 11.889 25.857 372 HG3 PRO 48 3HG PRO 48 -14.235 13.616 26.264 373 HD2 PRO 48 2HD PRO 48 -14.639 12.734 23.722 374 HD3 PRO 48 3HD PRO 48 -13.816 14.269 24.078 375 H GLY 49 H GLY 49 -13.117 10.451 23.746 376 HA2 GLY 49 2HA GLY 49 -12.342 8.141 25.236 377 HA3 GLY 49 3HA GLY 49 -13.202 8.116 23.696 378 H GLY 50 H GLY 50 -11.230 9.471 22.161 379 HA2 GLY 50 2HA GLY 50 -9.272 7.253 21.844 380 HA3 GLY 50 3HA GLY 50 -9.671 8.468 20.632 381 H LEU 51 H LEU 51 -8.475 10.282 20.506 382 HA LEU 51 HA LEU 51 -6.603 11.636 20.777 383 HB2 LEU 51 2HB LEU 51 -8.177 12.149 22.818 384 HB3 LEU 51 3HB LEU 51 -6.933 11.325 23.755 385 HG LEU 51 HG LEU 51 -5.278 12.921 22.451 386 HD11 LEU 51 1HD1 LEU 51 -6.367 15.147 22.015 387 HD12 LEU 51 2HD1 LEU 51 -7.934 14.372 22.217 388 HD13 LEU 51 3HD1 LEU 51 -6.876 13.888 20.894 389 HD21 LEU 51 3HD2 LEU 51 -5.687 14.694 24.213 390 HD22 LEU 51 1HD2 LEU 51 -5.523 13.053 24.839 391 HD23 LEU 51 2HD2 LEU 51 -7.119 13.785 24.695 392 H TYR 52 H TYR 52 -6.510 8.516 21.373 393 HA TYR 52 HA TYR 52 -4.229 8.008 22.977 394 HB2 TYR 52 2HB TYR 52 -4.213 5.831 22.000 395 HB3 TYR 52 3HB TYR 52 -5.905 6.319 22.028 396 HD1 TYR 52 HD2 TYR 52 -6.690 7.676 19.853 397 HD2 TYR 52 HD1 TYR 52 -3.359 4.968 19.999 398 HE1 TYR 52 HE2 TYR 52 -6.814 7.394 17.397 399 HE2 TYR 52 HE1 TYR 52 -3.482 4.690 17.540 400 HH TYR 52 HH TYR 52 -6.023 6.309 15.636 401 H LEU 53 H LEU 53 -2.785 6.473 20.829 402 HA LEU 53 HA LEU 53 -0.788 8.461 20.247 403 HB2 LEU 53 2HB LEU 53 -1.213 5.605 19.364 404 HB3 LEU 53 3HB LEU 53 0.108 6.569 18.710 405 HG LEU 53 HG LEU 53 0.737 5.182 20.725 406 HD11 LEU 53 1HD1 LEU 53 2.239 6.770 21.470 407 HD12 LEU 53 2HD1 LEU 53 1.028 8.043 21.583 408 HD13 LEU 53 3HD1 LEU 53 1.693 7.593 20.013 409 HD21 LEU 53 3HD2 LEU 53 -0.882 7.193 22.300 410 HD22 LEU 53 1HD2 LEU 53 -0.125 5.713 22.883 411 HD23 LEU 53 2HD2 LEU 53 -1.542 5.624 21.836 412 H VAL 54 H VAL 54 -0.455 9.659 18.478 413 HA VAL 54 HA VAL 54 -2.212 9.247 16.098 414 HB VAL 54 HB VAL 54 -2.562 11.671 15.955 415 HG11 VAL 54 1HG1 VAL 54 -3.997 11.906 18.017 416 HG12 VAL 54 2HG1 VAL 54 -3.314 10.389 18.595 417 HG13 VAL 54 3HG1 VAL 54 -4.268 10.417 17.112 418 HG21 VAL 54 3HG2 VAL 54 -0.908 11.668 18.491 419 HG22 VAL 54 1HG2 VAL 54 -1.974 13.007 18.067 420 HG23 VAL 54 2HG2 VAL 54 -0.627 12.585 17.011 421 H ASN 55 H ASN 55 -1.392 10.370 14.184 422 HA ASN 55 HA ASN 55 1.411 9.852 13.778 423 HB2 ASN 55 2HB ASN 55 -0.270 9.622 11.987 424 HB3 ASN 55 3HB ASN 55 -0.564 11.361 12.037 425 HD21 ASN 55 1HD2 ASN 55 2.679 9.962 12.426 426 HD22 ASN 55 2HD2 ASN 55 3.294 10.547 10.958 427 H VAL 56 H VAL 56 2.257 11.238 15.504 428 HA VAL 56 HA VAL 56 2.045 14.101 15.462 429 HB VAL 56 HB VAL 56 2.846 12.810 17.434 430 HG11 VAL 56 1HG1 VAL 56 5.444 12.481 15.916 431 HG12 VAL 56 2HG1 VAL 56 4.229 11.205 16.002 432 HG13 VAL 56 3HG1 VAL 56 5.006 11.784 17.475 433 HG21 VAL 56 3HG2 VAL 56 3.456 15.253 16.968 434 HG22 VAL 56 1HG2 VAL 56 5.032 14.654 16.450 435 HG23 VAL 56 2HG2 VAL 56 4.494 14.399 18.111 436 H THR 57 H THR 57 4.122 11.804 13.819 437 HA THR 57 HA THR 57 5.483 12.100 11.950 438 HB THR 57 HB THR 57 4.994 15.066 11.897 439 HG1 THR 57 HG1 THR 57 3.099 13.060 11.250 440 HG21 THR 57 3HG2 THR 57 5.039 14.726 9.526 441 HG22 THR 57 1HG2 THR 57 4.865 12.980 9.712 442 HG23 THR 57 2HG2 THR 57 6.363 13.772 10.196 443 H GLY 58 H GLY 58 6.983 11.667 13.826 444 HA2 GLY 58 2HA GLY 58 9.339 13.194 13.580 445 HA3 GLY 58 3HA GLY 58 8.512 13.776 15.024 446 H ALA 59 H ALA 59 11.020 12.476 15.033 447 HA ALA 59 HA ALA 59 12.189 10.681 15.987 448 HB1 ALA 59 3HB ALA 59 11.039 11.843 17.926 449 HB2 ALA 59 1HB ALA 59 11.473 10.158 18.210 450 HB3 ALA 59 2HB ALA 59 9.803 10.588 17.843 451 H ARG 60 H ARG 60 11.162 8.469 17.418 452 HA ARG 60 HA ARG 60 10.627 6.660 15.226 453 HB2 ARG 60 2HB ARG 60 10.585 6.251 18.235 454 HB3 ARG 60 3HB ARG 60 10.427 4.948 17.056 455 HG2 ARG 60 2HG ARG 60 12.627 5.471 16.128 456 HG3 ARG 60 3HG ARG 60 12.784 6.848 17.216 457 HD2 ARG 60 2HD ARG 60 14.035 4.960 18.132 458 HD3 ARG 60 3HD ARG 60 12.640 5.281 19.162 459 HE ARG 60 HE ARG 60 11.967 3.318 17.167 460 HH11 ARG 60 1HH2 ARG 60 13.755 3.795 20.105 461 HH12 ARG 60 2HH2 ARG 60 13.616 2.140 20.596 462 HH21 ARG 60 1HH1 ARG 60 11.793 1.174 17.816 463 HH22 ARG 60 2HH1 ARG 60 12.511 0.665 19.308 464 H PHE 61 H PHE 61 8.789 4.888 16.160 465 HA PHE 61 HA PHE 61 6.492 4.480 15.982 466 HB2 PHE 61 2HB PHE 61 6.552 6.820 17.909 467 HB3 PHE 61 3HB PHE 61 5.091 5.900 17.545 468 HD1 PHE 61 HD2 PHE 61 4.876 3.540 18.214 469 HD2 PHE 61 HD1 PHE 61 8.380 5.830 19.180 470 HE1 PHE 61 HE2 PHE 61 5.559 1.805 19.850 471 HE2 PHE 61 HE1 PHE 61 9.062 4.096 20.816 472 HZ PHE 61 HZ PHE 61 7.653 2.083 21.151 473 H ALA 62 H ALA 62 7.883 6.632 14.259 474 HA ALA 62 HA ALA 62 5.467 8.178 13.413 475 HB1 ALA 62 3HB ALA 62 8.355 8.530 12.558 476 HB2 ALA 62 1HB ALA 62 7.590 9.428 13.869 477 HB3 ALA 62 2HB ALA 62 7.009 9.618 12.215 478 H ARG 63 H ARG 63 4.377 6.657 12.215 479 HA ARG 63 HA ARG 63 5.802 5.456 9.866 480 HB2 ARG 63 2HB ARG 63 4.601 3.949 11.581 481 HB3 ARG 63 3HB ARG 63 3.100 4.644 10.969 482 HG2 ARG 63 2HG ARG 63 3.284 2.789 9.569 483 HG3 ARG 63 3HG ARG 63 4.135 3.993 8.601 484 HD2 ARG 63 2HD ARG 63 5.440 1.907 8.732 485 HD3 ARG 63 3HD ARG 63 6.291 3.220 9.541 486 HE ARG 63 HE ARG 63 5.920 2.140 11.627 487 HH11 ARG 63 1HH2 ARG 63 4.175 0.652 9.031 488 HH12 ARG 63 2HH2 ARG 63 3.734 -0.737 9.965 489 HH21 ARG 63 1HH1 ARG 63 5.352 0.338 12.834 490 HH22 ARG 63 2HH1 ARG 63 4.398 -0.914 12.113 491 H GLY 64 H GLY 64 3.119 7.454 10.925 492 HA2 GLY 64 2HA GLY 64 1.778 7.592 8.365 493 HA3 GLY 64 3HA GLY 64 1.533 8.697 9.714 494 H SER 65 H SER 65 1.878 9.208 6.805 495 HA SER 65 HA SER 65 3.752 11.443 7.068 496 HB2 SER 65 2HB SER 65 5.281 9.630 6.428 497 HB3 SER 65 3HB SER 65 4.254 9.240 5.049 498 HG SER 65 HG SER 65 4.984 11.890 5.256 499 H PHE 66 H PHE 66 3.884 12.557 4.802 500 HA PHE 66 HA PHE 66 1.426 12.250 3.174 501 HB2 PHE 66 2HB PHE 66 2.154 14.784 4.681 502 HB3 PHE 66 3HB PHE 66 0.972 14.729 3.386 503 HD1 PHE 66 HD1 PHE 66 -1.200 13.306 3.770 504 HD2 PHE 66 HD2 PHE 66 1.557 14.336 6.918 505 HE1 PHE 66 HE1 PHE 66 -2.996 13.008 5.467 506 HE2 PHE 66 HE2 PHE 66 -0.241 14.011 8.597 507 HZ PHE 66 HZ PHE 66 -2.517 13.355 7.873 508 H ARG 67 H ARG 67 3.794 11.664 2.089 509 HA ARG 67 HA ARG 67 5.472 13.813 1.225 510 HB2 ARG 67 2HB ARG 67 6.082 11.387 1.097 511 HB3 ARG 67 3HB ARG 67 4.900 11.189 -0.193 512 HG2 ARG 67 2HG ARG 67 7.109 11.484 -1.181 513 HG3 ARG 67 3HG ARG 67 6.131 12.901 -1.540 514 HD2 ARG 67 2HD ARG 67 7.781 12.969 0.964 515 HD3 ARG 67 3HD ARG 67 8.619 13.145 -0.576 516 HE ARG 67 HE ARG 67 6.917 15.131 0.656 517 HH11 ARG 67 1HH2 ARG 67 7.929 13.773 -2.368 518 HH12 ARG 67 2HH2 ARG 67 7.634 15.231 -3.255 519 HH21 ARG 67 1HH1 ARG 67 6.535 17.014 -0.495 520 HH22 ARG 67 2HH1 ARG 67 6.846 17.059 -2.199 521 H GLU 68 H GLU 68 2.723 12.196 -0.361 522 HA GLU 68 HA GLU 68 1.960 14.650 -1.717 523 HB2 GLU 68 2HB GLU 68 3.853 13.895 -3.147 524 HB3 GLU 68 3HB GLU 68 3.000 12.380 -3.432 525 HG2 GLU 68 2HG GLU 68 1.131 13.572 -4.450 526 HG3 GLU 68 3HG GLU 68 1.880 15.123 -4.079 527 H VAL 69 H VAL 69 -0.147 14.555 -2.372 528 HA VAL 69 HA VAL 69 -1.527 11.890 -2.302 529 HB VAL 69 HB VAL 69 -2.441 14.516 -1.096 530 HG11 VAL 69 1HG1 VAL 69 -4.383 13.604 -2.119 531 HG12 VAL 69 2HG1 VAL 69 -4.464 13.060 -0.442 532 HG13 VAL 69 3HG1 VAL 69 -3.924 11.953 -1.705 533 HG21 VAL 69 3HG2 VAL 69 -2.086 11.768 0.135 534 HG22 VAL 69 1HG2 VAL 69 -2.450 13.269 0.984 535 HG23 VAL 69 2HG2 VAL 69 -0.876 13.046 0.224 536 H VAL 70 H VAL 70 -2.693 11.497 -4.068 537 HA VAL 70 HA VAL 70 -3.562 13.787 -5.766 538 HB VAL 70 HB VAL 70 -2.669 11.164 -6.931 539 HG11 VAL 70 1HG1 VAL 70 -2.528 12.484 -8.970 540 HG12 VAL 70 2HG1 VAL 70 -2.837 13.970 -8.076 541 HG13 VAL 70 3HG1 VAL 70 -4.111 12.763 -8.246 542 HG21 VAL 70 3HG2 VAL 70 -0.522 12.348 -7.437 543 HG22 VAL 70 1HG2 VAL 70 -0.757 12.056 -5.715 544 HG23 VAL 70 2HG2 VAL 70 -1.042 13.663 -6.383 545 HA PRO 71 HA PRO 71 -7.573 11.877 -4.902 546 HB2 PRO 71 2HB PRO 71 -8.190 13.122 -7.567 547 HB3 PRO 71 3HB PRO 71 -9.108 13.202 -6.049 548 HG2 PRO 71 2HG PRO 71 -7.613 15.253 -6.883 549 HG3 PRO 71 3HG PRO 71 -7.761 14.846 -5.164 550 HD2 PRO 71 2HD PRO 71 -5.443 14.452 -6.990 551 HD3 PRO 71 3HD PRO 71 -5.484 14.676 -5.226 552 H VAL 72 H VAL 72 -8.391 9.931 -5.404 553 HA VAL 72 HA VAL 72 -7.900 7.732 -6.339 554 HB VAL 72 HB VAL 72 -9.671 7.468 -8.081 555 HG11 VAL 72 1HG1 VAL 72 -11.461 7.853 -6.581 556 HG12 VAL 72 2HG1 VAL 72 -10.680 9.263 -5.867 557 HG13 VAL 72 3HG1 VAL 72 -10.065 7.647 -5.529 558 HG21 VAL 72 3HG2 VAL 72 -9.609 10.484 -7.934 559 HG22 VAL 72 1HG2 VAL 72 -11.085 9.639 -8.390 560 HG23 VAL 72 2HG2 VAL 72 -9.628 9.452 -9.361 561 H HIS 73 H HIS 73 -5.606 8.542 -6.974 562 HA HIS 73 HA HIS 73 -5.220 7.774 -9.787 563 HB2 HIS 73 2HB HIS 73 -5.552 10.258 -9.866 564 HB3 HIS 73 3HB HIS 73 -4.180 10.441 -8.774 565 HD1 HIS 73 HD1 HIS 73 -3.756 7.655 -11.106 566 HD2 HIS 73 HD2 HIS 73 -2.928 11.740 -11.141 567 HE1 HIS 73 HE1 HIS 73 -2.135 8.042 -13.012 568 H ARG 74 H ARG 74 -3.068 9.610 -7.652 569 HA ARG 74 HA ARG 74 -1.389 7.152 -7.299 570 HB2 ARG 74 2HB ARG 74 -0.496 9.932 -8.100 571 HB3 ARG 74 3HB ARG 74 0.608 8.662 -7.570 572 HG2 ARG 74 2HG ARG 74 -0.200 7.207 -9.405 573 HG3 ARG 74 3HG ARG 74 -1.270 8.499 -9.949 574 HD2 ARG 74 2HD ARG 74 1.736 8.804 -9.706 575 HD3 ARG 74 3HD ARG 74 0.918 8.373 -11.207 576 HE ARG 74 HE ARG 74 -0.325 10.721 -10.250 577 HH11 ARG 74 1HH2 ARG 74 2.783 9.635 -11.336 578 HH12 ARG 74 2HH2 ARG 74 3.246 11.187 -11.949 579 HH21 ARG 74 1HH1 ARG 74 0.282 12.737 -11.045 580 HH22 ARG 74 2HH1 ARG 74 1.836 12.936 -11.783 581 H LEU 75 H LEU 75 -0.151 7.065 -5.437 582 HA LEU 75 HA LEU 75 -0.504 9.196 -3.401 583 HB2 LEU 75 2HB LEU 75 -2.270 7.495 -2.981 584 HB3 LEU 75 3HB LEU 75 -1.028 6.248 -2.887 585 HG LEU 75 HG LEU 75 0.008 7.421 -0.968 586 HD11 LEU 75 1HD1 LEU 75 -2.105 9.447 -1.643 587 HD12 LEU 75 2HD1 LEU 75 -0.432 9.694 -1.142 588 HD13 LEU 75 3HD1 LEU 75 -1.649 9.249 0.050 589 HD21 LEU 75 3HD2 LEU 75 -2.012 7.168 0.618 590 HD22 LEU 75 1HD2 LEU 75 -1.540 5.749 -0.318 591 HD23 LEU 75 2HD2 LEU 75 -2.927 6.718 -0.821 592 H ALA 76 H ALA 76 1.262 9.410 -2.059 593 HA ALA 76 HA ALA 76 3.384 7.333 -2.109 594 HB1 ALA 76 3HB ALA 76 5.106 8.847 -2.798 595 HB2 ALA 76 1HB ALA 76 4.011 10.226 -2.736 596 HB3 ALA 76 2HB ALA 76 3.808 8.995 -3.981 597 H TYR 77 H TYR 77 4.522 7.260 -0.236 598 HA TYR 77 HA TYR 77 3.981 9.367 1.826 599 HB2 TYR 77 2HB TYR 77 4.101 6.362 2.109 600 HB3 TYR 77 3HB TYR 77 4.282 7.442 3.489 601 HD1 TYR 77 HD1 TYR 77 2.442 9.427 3.528 602 HD2 TYR 77 HD2 TYR 77 1.934 5.586 1.670 603 HE1 TYR 77 HE1 TYR 77 -0.015 9.686 3.670 604 HE2 TYR 77 HE2 TYR 77 -0.524 5.843 1.819 605 HH TYR 77 HH TYR 77 -2.080 7.611 3.697 606 H SER 78 H SER 78 5.656 9.764 3.314 607 HA SER 78 HA SER 78 8.365 9.330 2.186 608 HB2 SER 78 2HB SER 78 9.051 11.158 3.513 609 HB3 SER 78 3HB SER 78 7.428 11.603 3.002 610 HG SER 78 HG SER 78 6.872 10.404 5.098 611 H PHE 79 H PHE 79 6.426 7.594 4.062 612 HA PHE 79 HA PHE 79 6.721 5.957 5.700 613 HB2 PHE 79 2HB PHE 79 8.417 5.125 4.136 614 HB3 PHE 79 3HB PHE 79 9.613 6.219 4.824 615 HD1 PHE 79 HD1 PHE 79 7.117 3.666 6.003 616 HD2 PHE 79 HD2 PHE 79 11.056 5.332 6.440 617 HE1 PHE 79 HE1 PHE 79 7.635 1.988 7.752 618 HE2 PHE 79 HE2 PHE 79 11.570 3.653 8.186 619 HZ PHE 79 HZ PHE 79 9.863 1.981 8.843 620 H GLY 80 H GLY 80 9.919 6.708 6.520 621 HA2 GLY 80 2HA GLY 80 9.069 7.687 9.167 622 HA3 GLY 80 3HA GLY 80 10.705 7.235 8.690 623 H TRP 81 H TRP 81 11.811 8.710 7.170 624 HA TRP 81 HA TRP 81 12.651 10.815 6.631 625 HB2 TRP 81 2HB TRP 81 10.403 10.960 5.491 626 HB3 TRP 81 3HB TRP 81 9.792 11.774 6.931 627 HD1 TRP 81 HD1 TRP 81 12.245 12.248 4.027 628 HE1 TRP 81 HE1 TRP 81 12.835 14.753 3.853 629 HE3 TRP 81 HE3 TRP 81 9.946 13.983 8.237 630 HZ2 TRP 81 HZ2 TRP 81 12.388 17.174 5.313 631 HZ3 TRP 81 HZ3 TRP 81 10.041 16.388 8.824 632 HH2 TRP 81 HH2 TRP 81 11.258 17.984 7.369 633 H ASP 82 H ASP 82 11.470 10.029 9.582 634 HA ASP 82 HA ASP 82 11.418 12.552 10.970 635 HB2 ASP 82 2HB ASP 82 11.672 11.170 13.018 636 HB3 ASP 82 3HB ASP 82 10.422 10.539 11.948 637 H GLY 83 H GLY 83 13.992 10.298 10.139 638 HA2 GLY 83 2HA GLY 83 16.309 10.736 9.989 639 HA3 GLY 83 3HA GLY 83 16.016 12.361 10.610 640 H SER 84 H SER 84 14.684 9.707 12.366 641 HA SER 84 HA SER 84 15.957 10.384 14.812 642 HB2 SER 84 2HB SER 84 13.915 9.060 14.791 643 HB3 SER 84 3HB SER 84 14.716 7.769 13.903 644 HG SER 84 HG SER 84 15.228 8.675 16.544 645 H GLU 85 H GLU 85 16.435 7.167 13.408 646 HA GLU 85 HA GLU 85 19.162 7.068 14.455 647 HB2 GLU 85 2HB GLU 85 17.541 5.129 12.776 648 HB3 GLU 85 3HB GLU 85 19.183 4.799 13.322 649 HG2 GLU 85 2HG GLU 85 18.492 5.001 15.656 650 HG3 GLU 85 3HG GLU 85 16.861 5.451 15.163 651 H VAL 86 H VAL 86 18.235 6.027 11.192 652 HA VAL 86 HA VAL 86 20.161 7.973 10.008 653 HB VAL 86 HB VAL 86 20.214 4.996 9.400 654 HG11 VAL 86 1HG1 VAL 86 21.908 7.349 8.508 655 HG12 VAL 86 2HG1 VAL 86 20.874 6.345 7.493 656 HG13 VAL 86 3HG1 VAL 86 22.333 5.663 8.213 657 HG21 VAL 86 3HG2 VAL 86 22.018 6.755 11.089 658 HG22 VAL 86 1HG2 VAL 86 22.497 5.160 10.505 659 HG23 VAL 86 2HG2 VAL 86 21.131 5.324 11.610 660 H VAL 87 H VAL 87 18.014 8.872 9.417 661 HA VAL 87 HA VAL 87 17.126 7.773 6.804 662 HB VAL 87 HB VAL 87 15.100 8.634 8.877 663 HG11 VAL 87 1HG1 VAL 87 14.333 8.718 6.569 664 HG12 VAL 87 2HG1 VAL 87 13.599 7.316 7.346 665 HG13 VAL 87 3HG1 VAL 87 14.967 7.104 6.257 666 HG21 VAL 87 3HG2 VAL 87 16.194 6.688 9.811 667 HG22 VAL 87 1HG2 VAL 87 16.177 5.869 8.250 668 HG23 VAL 87 2HG2 VAL 87 14.665 6.149 9.115 669 HA PRO 88 HA PRO 88 17.710 12.482 7.323 670 HB2 PRO 88 2HB PRO 88 19.530 12.643 5.193 671 HB3 PRO 88 3HB PRO 88 19.978 12.548 6.908 672 HG2 PRO 88 2HG PRO 88 19.827 10.371 4.869 673 HG3 PRO 88 3HG PRO 88 21.043 10.651 6.131 674 HD2 PRO 88 2HD PRO 88 19.154 8.778 6.450 675 HD3 PRO 88 3HD PRO 88 19.678 9.777 7.824 676 HA PRO 89 HA PRO 89 14.864 13.647 4.163 677 HB2 PRO 89 2HB PRO 89 16.908 15.455 2.927 678 HB3 PRO 89 3HB PRO 89 15.254 15.818 3.457 679 HG2 PRO 89 2HG PRO 89 17.447 16.542 4.874 680 HG3 PRO 89 3HG PRO 89 15.885 16.178 5.624 681 HD2 PRO 89 2HD PRO 89 18.387 14.595 5.686 682 HD3 PRO 89 3HD PRO 89 16.985 14.537 6.773 683 H GLY 90 H GLY 90 14.283 12.612 2.367 684 HA2 GLY 90 2HA GLY 90 14.493 11.904 0.081 685 HA3 GLY 90 3HA GLY 90 16.248 12.053 0.211 686 H SER 91 H SER 91 16.113 10.630 2.880 687 HA SER 91 HA SER 91 16.503 7.954 1.846 688 HB2 SER 91 2HB SER 91 17.823 8.907 3.739 689 HB3 SER 91 3HB SER 91 16.369 8.878 4.732 690 HG SER 91 HG SER 91 16.739 6.511 3.510 691 H SER 92 H SER 92 15.341 6.096 2.399 692 HA SER 92 HA SER 92 13.360 4.874 2.430 693 HB2 SER 92 2HB SER 92 12.297 4.822 4.520 694 HB3 SER 92 3HB SER 92 13.925 5.375 4.892 695 HG SER 92 HG SER 92 11.642 7.020 4.489 696 H LEU 93 H LEU 93 12.346 5.537 0.582 697 HA LEU 93 HA LEU 93 10.170 7.565 0.934 698 HB2 LEU 93 2HB LEU 93 11.982 8.359 -0.591 699 HB3 LEU 93 3HB LEU 93 11.699 6.955 -1.618 700 HG LEU 93 HG LEU 93 9.337 7.686 -1.927 701 HD11 LEU 93 1HD1 LEU 93 8.691 8.981 -0.115 702 HD12 LEU 93 2HD1 LEU 93 9.073 10.257 -1.263 703 HD13 LEU 93 3HD1 LEU 93 10.238 9.819 -0.015 704 HD21 LEU 93 3HD2 LEU 93 9.896 9.758 -3.278 705 HD22 LEU 93 1HD2 LEU 93 10.891 8.345 -3.632 706 HD23 LEU 93 2HD2 LEU 93 11.531 9.648 -2.630 707 H VAL 94 H VAL 94 8.197 6.806 0.597 708 HA VAL 94 HA VAL 94 7.866 4.107 -0.653 709 HB VAL 94 HB VAL 94 6.210 5.644 1.363 710 HG11 VAL 94 1HG1 VAL 94 4.788 3.505 1.305 711 HG12 VAL 94 2HG1 VAL 94 5.564 3.161 -0.239 712 HG13 VAL 94 3HG1 VAL 94 4.585 4.615 -0.050 713 HG21 VAL 94 3HG2 VAL 94 7.356 2.852 1.546 714 HG22 VAL 94 1HG2 VAL 94 6.823 3.902 2.859 715 HG23 VAL 94 2HG2 VAL 94 8.310 4.267 1.984 716 H GLU 95 H GLU 95 6.778 3.948 -2.498 717 HA GLU 95 HA GLU 95 5.125 6.265 -3.447 718 HB2 GLU 95 2HB GLU 95 7.008 4.506 -5.052 719 HB3 GLU 95 3HB GLU 95 5.894 5.683 -5.750 720 HG2 GLU 95 2HG GLU 95 8.059 6.359 -3.737 721 HG3 GLU 95 3HG GLU 95 8.208 6.587 -5.480 722 H ILE 96 H ILE 96 3.113 5.710 -3.903 723 HA ILE 96 HA ILE 96 2.475 2.847 -4.509 724 HB ILE 96 HB ILE 96 0.864 4.804 -2.847 725 HG12 ILE 96 2HG1 ILE 96 2.109 2.147 -2.076 726 HG13 ILE 96 3HG1 ILE 96 2.901 3.697 -1.797 727 HG21 ILE 96 1HG2 ILE 96 -0.653 3.441 -4.132 728 HG22 ILE 96 2HG2 ILE 96 -0.589 2.746 -2.513 729 HG23 ILE 96 3HG2 ILE 96 0.306 1.992 -3.832 730 HD11 ILE 96 3HD1 ILE 96 1.176 4.425 -0.314 731 HD12 ILE 96 1HD1 ILE 96 1.551 2.769 0.163 732 HD13 ILE 96 2HD1 ILE 96 0.110 3.104 -0.795 733 H ASP 97 H ASP 97 1.312 2.523 -6.297 734 HA ASP 97 HA ASP 97 -0.055 4.867 -7.585 735 HB2 ASP 97 2HB ASP 97 2.089 4.396 -8.724 736 HB3 ASP 97 3HB ASP 97 1.572 2.731 -8.990 737 H LEU 98 H LEU 98 -2.046 4.474 -8.294 738 HA LEU 98 HA LEU 98 -3.170 1.732 -7.945 739 HB2 LEU 98 2HB LEU 98 -4.641 4.353 -8.360 740 HB3 LEU 98 3HB LEU 98 -5.327 2.817 -7.827 741 HG LEU 98 HG LEU 98 -3.289 4.475 -6.313 742 HD11 LEU 98 1HD1 LEU 98 -6.248 3.972 -5.948 743 HD12 LEU 98 2HD1 LEU 98 -5.424 5.523 -6.109 744 HD13 LEU 98 3HD1 LEU 98 -5.221 4.564 -4.642 745 HD21 LEU 98 3HD2 LEU 98 -3.964 2.721 -4.489 746 HD22 LEU 98 1HD2 LEU 98 -2.803 2.246 -5.726 747 HD23 LEU 98 2HD2 LEU 98 -4.488 1.741 -5.859 748 H ILE 99 H ILE 99 -3.676 0.566 -9.687 749 HA ILE 99 HA ILE 99 -4.050 1.948 -12.324 750 HB ILE 99 HB ILE 99 -2.580 -0.647 -11.786 751 HG12 ILE 99 2HG1 ILE 99 -1.563 1.925 -13.023 752 HG13 ILE 99 3HG1 ILE 99 -1.408 1.572 -11.301 753 HG21 ILE 99 1HG2 ILE 99 -3.741 -0.919 -13.844 754 HG22 ILE 99 2HG2 ILE 99 -2.123 -0.393 -14.308 755 HG23 ILE 99 3HG2 ILE 99 -3.461 0.756 -14.318 756 HD11 ILE 99 3HD1 ILE 99 -0.196 -0.525 -11.864 757 HD12 ILE 99 1HD1 ILE 99 0.638 0.906 -12.469 758 HD13 ILE 99 2HD1 ILE 99 -0.299 -0.102 -13.573 759 H GLU 100 H GLU 100 -5.888 1.440 -13.302 760 HA GLU 100 HA GLU 100 -7.800 -0.357 -12.092 761 HB2 GLU 100 2HB GLU 100 -7.776 1.089 -14.755 762 HB3 GLU 100 3HB GLU 100 -9.143 0.140 -14.169 763 HG2 GLU 100 2HG GLU 100 -9.326 1.560 -12.189 764 HG3 GLU 100 3HG GLU 100 -7.905 2.478 -12.687 765 H GLN 101 H GLN 101 -8.518 -2.337 -12.835 766 HA GLN 101 HA GLN 101 -7.176 -3.608 -15.150 767 HB2 GLN 101 2HB GLN 101 -5.752 -4.102 -13.146 768 HB3 GLN 101 3HB GLN 101 -7.156 -4.847 -12.379 769 HG2 GLN 101 2HG GLN 101 -7.310 -6.509 -14.136 770 HG3 GLN 101 3HG GLN 101 -6.041 -5.712 -15.061 771 HE21 GLN 101 1HE2 GLN 101 -4.046 -6.709 -14.819 772 HE22 GLN 101 2HE2 GLN 101 -3.528 -7.539 -13.432 773 H GLY 102 H GLY 102 -9.790 -3.179 -12.999 774 HA2 GLY 102 2HA GLY 102 -12.056 -3.730 -13.635 775 HA3 GLY 102 3HA GLY 102 -11.444 -5.058 -14.615 776 H GLY 103 H GLY 103 -13.542 -5.301 -12.758 777 HA2 GLY 103 2HA GLY 103 -14.253 -6.522 -10.881 778 HA3 GLY 103 3HA GLY 103 -13.058 -7.689 -11.448 779 H GLY 104 H GLY 104 -11.765 -4.640 -10.636 780 HA2 GLY 104 2HA GLY 104 -11.455 -4.548 -7.909 781 HA3 GLY 104 3HA GLY 104 -10.302 -5.794 -8.384 782 H THR 105 H THR 105 -9.033 -3.873 -7.281 783 HA THR 105 HA THR 105 -7.913 -2.172 -9.483 784 HB THR 105 HB THR 105 -8.355 -1.375 -6.590 785 HG1 THR 105 HG1 THR 105 -10.097 -0.522 -7.348 786 HG21 THR 105 3HG2 THR 105 -7.501 0.858 -7.488 787 HG22 THR 105 1HG2 THR 105 -6.932 -0.036 -8.899 788 HG23 THR 105 2HG2 THR 105 -6.288 -0.407 -7.300 789 H LEU 106 H LEU 106 -5.803 -2.412 -9.755 790 HA LEU 106 HA LEU 106 -4.304 -4.199 -7.987 791 HB2 LEU 106 2HB LEU 106 -4.062 -4.352 -10.447 792 HB3 LEU 106 3HB LEU 106 -3.426 -2.707 -10.482 793 HG LEU 106 HG LEU 106 -1.550 -3.424 -9.008 794 HD11 LEU 106 1HD1 LEU 106 -3.065 -6.019 -9.122 795 HD12 LEU 106 2HD1 LEU 106 -2.266 -5.249 -7.751 796 HD13 LEU 106 3HD1 LEU 106 -1.308 -6.064 -8.979 797 HD21 LEU 106 3HD2 LEU 106 -0.463 -4.967 -10.718 798 HD22 LEU 106 1HD2 LEU 106 -1.081 -3.440 -11.349 799 HD23 LEU 106 2HD2 LEU 106 -1.995 -4.929 -11.592 800 H LEU 107 H LEU 107 -2.941 -3.577 -6.450 801 HA LEU 107 HA LEU 107 -2.251 -0.670 -6.229 802 HB2 LEU 107 2HB LEU 107 -3.606 -1.533 -4.382 803 HB3 LEU 107 3HB LEU 107 -2.420 -2.808 -4.093 804 HG LEU 107 HG LEU 107 -1.234 -0.080 -4.182 805 HD11 LEU 107 1HD1 LEU 107 -3.289 -0.813 -2.096 806 HD12 LEU 107 2HD1 LEU 107 -3.219 0.640 -3.094 807 HD13 LEU 107 3HD1 LEU 107 -2.033 0.392 -1.813 808 HD21 LEU 107 3HD2 LEU 107 -1.097 -2.100 -1.938 809 HD22 LEU 107 1HD2 LEU 107 0.118 -0.922 -2.433 810 HD23 LEU 107 2HD2 LEU 107 -0.196 -2.339 -3.433 811 H ARG 108 H ARG 108 -0.208 -0.157 -6.517 812 HA ARG 108 HA ARG 108 1.892 -2.288 -6.370 813 HB2 ARG 108 2HB ARG 108 1.608 -1.193 -8.579 814 HB3 ARG 108 3HB ARG 108 1.951 0.369 -7.832 815 HG2 ARG 108 2HG ARG 108 4.170 -0.418 -7.146 816 HG3 ARG 108 3HG ARG 108 3.826 -2.016 -7.810 817 HD2 ARG 108 2HD ARG 108 5.168 -0.736 -9.404 818 HD3 ARG 108 3HD ARG 108 3.550 -0.993 -10.058 819 HE ARG 108 HE ARG 108 3.121 1.335 -9.832 820 HH11 ARG 108 1HH2 ARG 108 6.083 0.384 -8.304 821 HH12 ARG 108 2HH2 ARG 108 6.623 2.013 -8.073 822 HH21 ARG 108 1HH1 ARG 108 3.828 3.442 -9.538 823 HH22 ARG 108 2HH1 ARG 108 5.352 3.738 -8.772 824 H LEU 109 H LEU 109 3.458 -2.076 -4.895 825 HA LEU 109 HA LEU 109 3.741 0.539 -3.464 826 HB2 LEU 109 2HB LEU 109 2.462 -1.206 -2.154 827 HB3 LEU 109 3HB LEU 109 3.917 -2.196 -2.175 828 HG LEU 109 HG LEU 109 3.954 0.664 -1.185 829 HD11 LEU 109 1HD1 LEU 109 3.808 -0.310 1.117 830 HD12 LEU 109 2HD1 LEU 109 3.347 -1.846 0.383 831 HD13 LEU 109 3HD1 LEU 109 2.312 -0.429 0.190 832 HD21 LEU 109 3HD2 LEU 109 5.862 -0.648 0.232 833 HD22 LEU 109 1HD2 LEU 109 6.175 0.093 -1.331 834 HD23 LEU 109 2HD2 LEU 109 5.871 -1.640 -1.225 835 H THR 110 H THR 110 5.728 1.285 -3.589 836 HA THR 110 HA THR 110 8.028 -0.617 -3.913 837 HB THR 110 HB THR 110 7.674 2.126 -5.156 838 HG1 THR 110 HG1 THR 110 8.094 0.358 -6.972 839 HG21 THR 110 3HG2 THR 110 9.986 1.882 -4.707 840 HG22 THR 110 1HG2 THR 110 9.807 1.345 -6.375 841 HG23 THR 110 2HG2 THR 110 9.963 0.159 -5.081 842 H HIS 111 H HIS 111 9.505 -0.434 -2.357 843 HA HIS 111 HA HIS 111 9.649 2.112 -0.783 844 HB2 HIS 111 2HB HIS 111 8.604 0.115 0.430 845 HB3 HIS 111 3HB HIS 111 10.196 -0.642 0.349 846 HD1 HIS 111 HD1 HIS 111 9.507 -0.188 3.133 847 HD2 HIS 111 HD2 HIS 111 11.018 2.957 0.850 848 HE1 HIS 111 HE1 HIS 111 10.408 1.527 4.766 849 H SER 112 H SER 112 11.560 3.043 -0.990 850 HA SER 112 HA SER 112 14.021 1.380 -1.182 851 HB2 SER 112 2HB SER 112 13.420 1.943 -3.504 852 HB3 SER 112 3HB SER 112 13.340 3.651 -3.078 853 HG SER 112 HG SER 112 15.644 2.099 -2.564 854 H GLY 113 H GLY 113 15.823 2.370 -0.340 855 HA2 GLY 113 2HA GLY 113 17.090 4.209 0.568 856 HA3 GLY 113 3HA GLY 113 15.593 5.128 0.765 857 H LEU 114 H LEU 114 16.504 1.821 1.751 858 HA LEU 114 HA LEU 114 15.275 2.259 4.359 859 HB2 LEU 114 2HB LEU 114 16.752 -0.125 3.206 860 HB3 LEU 114 3HB LEU 114 15.967 -0.123 4.783 861 HG LEU 114 HG LEU 114 14.445 0.639 2.284 862 HD11 LEU 114 1HD1 LEU 114 13.617 -1.760 2.310 863 HD12 LEU 114 2HD1 LEU 114 14.956 -2.130 3.395 864 HD13 LEU 114 3HD1 LEU 114 15.279 -1.549 1.762 865 HD21 LEU 114 3HD2 LEU 114 12.561 -0.335 3.737 866 HD22 LEU 114 1HD2 LEU 114 13.253 1.189 4.281 867 HD23 LEU 114 2HD2 LEU 114 13.713 -0.318 5.069 868 HA PRO 115 HA PRO 115 18.968 3.537 6.453 869 HB2 PRO 115 2HB PRO 115 18.423 2.609 8.996 870 HB3 PRO 115 3HB PRO 115 17.647 4.043 8.291 871 HG2 PRO 115 2HG PRO 115 16.611 1.250 8.517 872 HG3 PRO 115 3HG PRO 115 15.768 2.789 8.779 873 HD2 PRO 115 2HD PRO 115 15.490 1.366 6.488 874 HD3 PRO 115 3HD PRO 115 15.420 3.141 6.511 875 H SER 116 H SER 116 17.913 0.209 6.658 876 HA SER 116 HA SER 116 20.645 -0.765 6.358 877 HB2 SER 116 2HB SER 116 20.555 -0.385 8.799 878 HB3 SER 116 3HB SER 116 19.118 -1.399 8.899 879 HG SER 116 HG SER 116 20.685 -2.923 7.666 880 H ALA 117 H ALA 117 20.676 -3.111 6.095 881 HA ALA 117 HA ALA 117 18.521 -4.077 4.471 882 HB1 ALA 117 3HB ALA 117 19.767 -6.186 4.451 883 HB2 ALA 117 1HB ALA 117 20.724 -5.657 5.836 884 HB3 ALA 117 2HB ALA 117 20.895 -4.839 4.285 885 H GLU 118 H GLU 118 19.372 -4.485 7.855 886 HA GLU 118 HA GLU 118 17.755 -6.656 8.599 887 HB2 GLU 118 2HB GLU 118 18.414 -4.104 10.107 888 HB3 GLU 118 3HB GLU 118 17.640 -5.503 10.853 889 HG2 GLU 118 2HG GLU 118 19.557 -6.911 10.279 890 HG3 GLU 118 3HG GLU 118 20.325 -5.564 9.440 891 H GLN 119 H GLN 119 16.866 -3.221 8.356 892 HA GLN 119 HA GLN 119 14.139 -3.547 9.187 893 HB2 GLN 119 2HB GLN 119 15.275 -1.349 9.151 894 HB3 GLN 119 3HB GLN 119 15.377 -1.431 7.393 895 HG2 GLN 119 2HG GLN 119 12.959 -1.409 7.188 896 HG3 GLN 119 3HG GLN 119 12.770 -1.530 8.936 897 HE21 GLN 119 1HE2 GLN 119 11.806 0.671 7.154 898 HE22 GLN 119 2HE2 GLN 119 12.540 2.089 7.730 899 H CYS 120 H CYS 120 15.783 -3.914 6.110 900 HA CYS 120 HA CYS 120 13.541 -3.868 4.361 901 HB2 CYS 120 2HB CYS 120 16.196 -4.138 3.966 902 HB3 CYS 120 3HB CYS 120 15.741 -5.834 3.813 903 HG CYS 120 HG CYS 120 13.831 -4.644 2.065 904 H ALA 121 H ALA 121 15.029 -6.556 6.141 905 HA ALA 121 HA ALA 121 13.272 -8.604 5.168 906 HB1 ALA 121 3HB ALA 121 14.862 -8.391 7.745 907 HB2 ALA 121 1HB ALA 121 15.376 -9.179 6.255 908 HB3 ALA 121 2HB ALA 121 14.053 -9.861 7.202 909 H GLY 122 H GLY 122 13.193 -6.600 8.107 910 HA2 GLY 122 2HA GLY 122 10.796 -7.752 9.201 911 HA3 GLY 122 3HA GLY 122 11.471 -6.183 9.639 912 H HIS 123 H HIS 123 11.382 -5.019 7.034 913 HA HIS 123 HA HIS 123 8.680 -4.029 7.021 914 HB2 HIS 123 2HB HIS 123 11.143 -3.668 5.354 915 HB3 HIS 123 3HB HIS 123 9.618 -3.229 4.588 916 HD1 HIS 123 HD1 HIS 123 11.051 -2.685 8.090 917 HD2 HIS 123 HD2 HIS 123 9.144 -0.570 5.049 918 HE1 HIS 123 HE1 HIS 123 10.766 -0.316 8.938 919 H GLU 124 H GLU 124 10.411 -6.360 4.994 920 HA GLU 124 HA GLU 124 8.402 -6.789 3.039 921 HB2 GLU 124 2HB GLU 124 10.727 -7.682 2.900 922 HB3 GLU 124 3HB GLU 124 10.338 -8.828 4.184 923 HG2 GLU 124 2HG GLU 124 8.582 -9.830 2.796 924 HG3 GLU 124 3HG GLU 124 8.895 -8.651 1.522 925 H GLU 125 H GLU 125 8.964 -8.460 6.134 926 HA GLU 125 HA GLU 125 6.666 -10.200 5.882 927 HB2 GLU 125 2HB GLU 125 8.254 -9.317 8.317 928 HB3 GLU 125 3HB GLU 125 7.050 -10.606 8.325 929 HG2 GLU 125 2HG GLU 125 9.518 -10.572 6.560 930 HG3 GLU 125 3HG GLU 125 9.388 -11.462 8.076 931 H GLY 126 H GLY 126 7.237 -7.056 7.388 932 HA2 GLY 126 2HA GLY 126 4.721 -6.841 8.752 933 HA3 GLY 126 3HA GLY 126 5.770 -5.494 8.319 934 H TRP 127 H TRP 127 5.800 -5.485 5.625 935 HA TRP 127 HA TRP 127 3.265 -4.349 4.936 936 HB2 TRP 127 2HB TRP 127 5.685 -5.147 3.316 937 HB3 TRP 127 3HB TRP 127 4.238 -4.501 2.543 938 HD1 TRP 127 HD1 TRP 127 7.389 -3.383 3.970 939 HE1 TRP 127 HE1 TRP 127 7.333 -0.865 4.520 940 HE3 TRP 127 HE3 TRP 127 2.371 -2.530 3.657 941 HZ2 TRP 127 HZ2 TRP 127 5.409 1.234 4.794 942 HZ3 TRP 127 HZ3 TRP 127 1.449 -0.265 4.067 943 HH2 TRP 127 HH2 TRP 127 2.961 1.617 4.635 944 H ALA 128 H ALA 128 4.695 -7.523 4.333 945 HA ALA 128 HA ALA 128 2.787 -8.514 2.481 946 HB1 ALA 128 3HB ALA 128 3.507 -10.743 3.196 947 HB2 ALA 128 1HB ALA 128 4.197 -10.071 4.674 948 HB3 ALA 128 2HB ALA 128 4.911 -9.680 3.111 949 H HIS 129 H HIS 129 2.823 -8.742 6.037 950 HA HIS 129 HA HIS 129 0.277 -10.063 6.250 951 HB2 HIS 129 2HB HIS 129 1.956 -10.062 8.075 952 HB3 HIS 129 3HB HIS 129 1.730 -8.324 8.276 953 HD1 HIS 129 HD1 HIS 129 -0.205 -11.580 8.562 954 HD2 HIS 129 HD2 HIS 129 -0.474 -7.622 9.843 955 HE1 HIS 129 HE1 HIS 129 -2.136 -11.485 10.199 956 H TYR 130 H TYR 130 1.259 -6.665 6.561 957 HA TYR 130 HA TYR 130 -1.297 -5.582 7.194 958 HB2 TYR 130 2HB TYR 130 1.240 -4.498 6.005 959 HB3 TYR 130 3HB TYR 130 -0.192 -3.475 5.986 960 HD1 TYR 130 HD1 TYR 130 1.059 -5.959 8.514 961 HD2 TYR 130 HD2 TYR 130 0.066 -1.865 7.669 962 HE1 TYR 130 HE1 TYR 130 1.423 -5.387 10.885 963 HE2 TYR 130 HE2 TYR 130 0.443 -1.291 10.051 964 HH TYR 130 HH TYR 130 2.000 -3.359 12.215 965 H LEU 131 H LEU 131 0.320 -5.983 4.059 966 HA LEU 131 HA LEU 131 -1.774 -4.856 2.477 967 HB2 LEU 131 2HB LEU 131 0.404 -6.865 1.842 968 HB3 LEU 131 3HB LEU 131 -0.679 -6.213 0.615 969 HG LEU 131 HG LEU 131 0.957 -4.440 2.449 970 HD11 LEU 131 1HD1 LEU 131 1.672 -5.526 -0.291 971 HD12 LEU 131 2HD1 LEU 131 2.543 -5.807 1.215 972 HD13 LEU 131 3HD1 LEU 131 2.516 -4.196 0.500 973 HD21 LEU 131 3HD2 LEU 131 -0.728 -3.126 1.449 974 HD22 LEU 131 1HD2 LEU 131 -0.687 -4.038 -0.059 975 HD23 LEU 131 2HD2 LEU 131 0.616 -2.920 0.335 976 H GLY 132 H GLY 132 -1.113 -8.163 3.520 977 HA2 GLY 132 2HA GLY 132 -3.172 -9.460 2.035 978 HA3 GLY 132 3HA GLY 132 -2.475 -10.063 3.539 979 H ARG 133 H ARG 133 -3.177 -8.025 5.286 980 HA ARG 133 HA ARG 133 -5.892 -8.706 5.931 981 HB2 ARG 133 2HB ARG 133 -4.201 -8.004 7.621 982 HB3 ARG 133 3HB ARG 133 -4.229 -6.376 6.945 983 HG2 ARG 133 2HG ARG 133 -6.604 -6.152 7.492 984 HG3 ARG 133 3HG ARG 133 -6.646 -7.811 8.088 985 HD2 ARG 133 2HD ARG 133 -4.891 -7.174 9.779 986 HD3 ARG 133 3HD ARG 133 -5.063 -5.501 9.252 987 HE ARG 133 HE ARG 133 -7.653 -6.450 9.899 988 HH11 ARG 133 1HH2 ARG 133 -4.598 -5.803 11.405 989 HH12 ARG 133 2HH2 ARG 133 -5.298 -5.440 12.947 990 HH21 ARG 133 1HH1 ARG 133 -8.557 -5.979 11.908 991 HH22 ARG 133 2HH1 ARG 133 -7.527 -5.538 13.229 992 H LEU 134 H LEU 134 -4.415 -5.820 4.475 993 HA LEU 134 HA LEU 134 -6.793 -4.262 4.365 994 HB2 LEU 134 2HB LEU 134 -4.597 -3.238 3.979 995 HB3 LEU 134 3HB LEU 134 -4.365 -4.222 2.535 996 HG LEU 134 HG LEU 134 -6.253 -3.125 1.429 997 HD11 LEU 134 1HD1 LEU 134 -7.828 -2.640 3.094 998 HD12 LEU 134 2HD1 LEU 134 -7.192 -1.040 2.725 999 HD13 LEU 134 3HD1 LEU 134 -6.630 -1.902 4.158 1000 HD21 LEU 134 3HD2 LEU 134 -4.104 -2.013 1.195 1001 HD22 LEU 134 1HD2 LEU 134 -4.332 -1.174 2.731 1002 HD23 LEU 134 2HD2 LEU 134 -5.366 -0.791 1.355 1003 H THR 135 H THR 135 -5.392 -6.596 2.117 1004 HA THR 135 HA THR 135 -7.184 -6.204 -0.061 1005 HB THR 135 HB THR 135 -5.777 -8.730 0.859 1006 HG1 THR 135 HG1 THR 135 -5.110 -6.858 -1.157 1007 HG21 THR 135 3HG2 THR 135 -7.498 -9.424 -0.622 1008 HG22 THR 135 1HG2 THR 135 -6.052 -9.308 -1.624 1009 HG23 THR 135 2HG2 THR 135 -7.263 -8.028 -1.672 1010 H GLU 136 H GLU 136 -7.373 -8.339 2.762 1011 HA GLU 136 HA GLU 136 -9.774 -9.696 2.060 1012 HB2 GLU 136 2HB GLU 136 -8.593 -8.998 4.765 1013 HB3 GLU 136 3HB GLU 136 -9.977 -10.071 4.553 1014 HG2 GLU 136 2HG GLU 136 -8.637 -11.578 3.170 1015 HG3 GLU 136 3HG GLU 136 -7.256 -10.489 3.283 1016 H VAL 137 H VAL 137 -9.234 -6.657 3.803 1017 HA VAL 137 HA VAL 137 -11.958 -6.181 4.543 1018 HB VAL 137 HB VAL 137 -9.666 -4.261 4.006 1019 HG11 VAL 137 1HG1 VAL 137 -11.094 -2.709 5.453 1020 HG12 VAL 137 2HG1 VAL 137 -12.432 -3.818 5.149 1021 HG13 VAL 137 3HG1 VAL 137 -11.670 -2.971 3.806 1022 HG21 VAL 137 3HG2 VAL 137 -9.320 -5.858 5.866 1023 HG22 VAL 137 1HG2 VAL 137 -10.856 -5.360 6.574 1024 HG23 VAL 137 2HG2 VAL 137 -9.519 -4.212 6.470 1025 H ALA 138 H ALA 138 -10.060 -5.143 1.715 1026 HA ALA 138 HA ALA 138 -12.164 -3.642 0.469 1027 HB1 ALA 138 3HB ALA 138 -9.688 -3.538 -0.088 1028 HB2 ALA 138 1HB ALA 138 -10.759 -3.634 -1.488 1029 HB3 ALA 138 2HB ALA 138 -9.890 -5.069 -0.938 1030 H ALA 139 H ALA 139 -11.149 -7.029 0.198 1031 HA ALA 139 HA ALA 139 -13.280 -7.581 -1.783 1032 HB1 ALA 139 3HB ALA 139 -12.275 -9.738 -2.010 1033 HB2 ALA 139 1HB ALA 139 -11.422 -9.580 -0.474 1034 HB3 ALA 139 2HB ALA 139 -10.932 -8.605 -1.858 1035 H GLY 140 H GLY 140 -13.090 -7.320 1.534 1036 HA2 GLY 140 2HA GLY 140 -15.555 -8.951 1.871 1037 HA3 GLY 140 3HA GLY 140 -14.183 -9.311 2.918 1038 H ARG 141 H ARG 141 -15.332 -8.694 4.775 1039 HA ARG 141 HA ARG 141 -15.064 -5.946 5.562 1040 HB2 ARG 141 2HB ARG 141 -17.076 -5.694 4.137 1041 HB3 ARG 141 3HB ARG 141 -17.906 -6.902 5.117 1042 HG2 ARG 141 2HG ARG 141 -17.745 -5.494 7.090 1043 HG3 ARG 141 3HG ARG 141 -16.748 -4.324 6.222 1044 HD2 ARG 141 2HD ARG 141 -18.615 -3.871 4.678 1045 HD3 ARG 141 3HD ARG 141 -19.606 -5.058 5.523 1046 HE ARG 141 HE ARG 141 -19.875 -3.516 7.322 1047 HH11 ARG 141 1HH2 ARG 141 -17.581 -2.437 4.960 1048 HH12 ARG 141 2HH2 ARG 141 -17.511 -0.825 5.589 1049 HH21 ARG 141 1HH1 ARG 141 -19.785 -1.421 8.132 1050 HH22 ARG 141 2HH1 ARG 141 -18.751 -0.253 7.379 1051 H ASP 142 H ASP 142 -15.603 -5.629 7.776 1052 HA ASP 142 HA ASP 142 -16.023 -6.239 9.994 1053 HB2 ASP 142 2HB ASP 142 -17.875 -7.703 8.828 1054 HB3 ASP 142 3HB ASP 142 -16.782 -9.040 9.178 1055 HA PRO 143 HA PRO 143 -11.996 -8.636 9.489 1056 HB2 PRO 143 2HB PRO 143 -10.294 -6.639 10.318 1057 HB3 PRO 143 3HB PRO 143 -10.757 -6.892 8.623 1058 HG2 PRO 143 2HG PRO 143 -11.816 -4.919 10.597 1059 HG3 PRO 143 3HG PRO 143 -11.461 -4.708 8.874 1060 HD2 PRO 143 2HD PRO 143 -14.004 -5.083 9.820 1061 HD3 PRO 143 3HD PRO 143 -13.494 -5.623 8.204 1062 H GLY 144 H GLY 144 -10.758 -9.478 11.194 1063 HA2 GLY 144 2HA GLY 144 -11.963 -9.904 13.629 1064 HA3 GLY 144 3HA GLY 144 -10.221 -10.029 13.407 1065 HA PRO 145 HA PRO 145 -11.376 -6.513 16.360 1066 HB2 PRO 145 2HB PRO 145 -9.630 -7.966 18.276 1067 HB3 PRO 145 3HB PRO 145 -11.278 -7.352 18.505 1068 HG2 PRO 145 2HG PRO 145 -10.723 -9.990 18.290 1069 HG3 PRO 145 3HG PRO 145 -12.249 -9.281 17.731 1070 HD2 PRO 145 2HD PRO 145 -9.869 -10.144 16.122 1071 HD3 PRO 145 3HD PRO 145 -11.600 -10.260 15.744 1072 H ASP 146 H ASP 146 -10.048 -4.747 16.607 1073 HA ASP 146 HA ASP 146 -7.108 -5.069 16.171 1074 HB2 ASP 146 2HB ASP 146 -8.342 -4.221 14.144 1075 HB3 ASP 146 3HB ASP 146 -8.792 -2.804 15.092 1076 HA PRO 147 HA PRO 147 -8.741 -2.024 19.760 1077 HB2 PRO 147 2HB PRO 147 -7.929 -4.360 21.464 1078 HB3 PRO 147 3HB PRO 147 -9.244 -3.194 21.703 1079 HG2 PRO 147 2HG PRO 147 -9.670 -5.708 20.831 1080 HG3 PRO 147 3HG PRO 147 -10.684 -4.336 20.350 1081 HD2 PRO 147 2HD PRO 147 -8.704 -5.845 18.738 1082 HD3 PRO 147 3HD PRO 147 -10.097 -4.862 18.248 1083 H PHE 148 H PHE 148 -6.728 -1.203 18.690 1084 HA PHE 148 HA PHE 148 -4.478 -0.595 18.691 1085 HB2 PHE 148 2HB PHE 148 -5.202 0.440 20.779 1086 HB3 PHE 148 3HB PHE 148 -4.898 -1.065 21.651 1087 HD1 PHE 148 HD2 PHE 148 -3.209 1.444 19.443 1088 HD2 PHE 148 HD1 PHE 148 -2.766 -1.486 22.552 1089 HE1 PHE 148 HE2 PHE 148 -0.825 2.076 19.699 1090 HE2 PHE 148 HE1 PHE 148 -0.382 -0.858 22.806 1091 HZ PHE 148 HZ PHE 148 0.588 0.924 21.382 1092 H TYR 149 H TYR 149 -2.223 -1.274 19.593 1093 HA TYR 149 HA TYR 149 -1.688 -3.945 18.716 1094 HB2 TYR 149 2HB TYR 149 -0.047 -1.859 20.166 1095 HB3 TYR 149 3HB TYR 149 0.614 -3.453 19.812 1096 HD1 TYR 149 HD2 TYR 149 0.456 -4.279 17.358 1097 HD2 TYR 149 HD1 TYR 149 0.020 -0.165 18.520 1098 HE1 TYR 149 HE2 TYR 149 0.973 -3.570 15.039 1099 HE2 TYR 149 HE1 TYR 149 0.543 0.541 16.202 1100 HH TYR 149 HH TYR 149 1.654 -0.304 14.227 1101 H GLY 150 H GLY 150 -0.840 -2.694 21.948 1102 HA2 GLY 150 2HA GLY 150 -2.344 -4.322 23.604 1103 HA3 GLY 150 3HA GLY 150 -1.020 -5.370 23.092 1104 H ARG 151 H ARG 151 -1.321 -4.701 25.745 1105 HA ARG 151 HA ARG 151 -0.387 -3.487 27.568 1106 HB2 ARG 151 2HB ARG 151 2.189 -3.896 27.454 1107 HB3 ARG 151 3HB ARG 151 1.108 -5.289 27.491 1108 HG2 ARG 151 2HG ARG 151 1.252 -5.526 25.070 1109 HG3 ARG 151 3HG ARG 151 2.233 -4.063 24.958 1110 HD2 ARG 151 2HD ARG 151 3.682 -6.025 24.867 1111 HD3 ARG 151 3HD ARG 151 3.962 -5.147 26.371 1112 HE ARG 151 HE ARG 151 2.980 -6.952 27.574 1113 HH11 ARG 151 1HH2 ARG 151 2.588 -7.272 24.148 1114 HH12 ARG 151 2HH2 ARG 151 2.074 -8.924 24.241 1115 HH21 ARG 151 1HH1 ARG 151 2.322 -9.093 27.692 1116 HH22 ARG 151 2HH1 ARG 151 1.928 -9.952 26.241 1117 H ARG 152 H ARG 152 -1.189 -1.462 26.225 1118 HA ARG 152 HA ARG 152 0.818 0.212 25.007 1119 HB2 ARG 152 2HB ARG 152 -1.609 0.445 24.541 1120 HB3 ARG 152 3HB ARG 152 -1.862 1.001 26.196 1121 HG2 ARG 152 2HG ARG 152 -0.377 2.917 25.802 1122 HG3 ARG 152 3HG ARG 152 -0.052 2.347 24.165 1123 HD2 ARG 152 2HD ARG 152 -1.748 4.088 24.061 1124 HD3 ARG 152 3HD ARG 152 -2.504 2.542 23.670 1125 HE ARG 152 HE ARG 152 -2.732 3.042 26.488 1126 HH11 ARG 152 1HH2 ARG 152 -3.916 4.062 23.395 1127 HH12 ARG 152 2HH2 ARG 152 -5.450 4.575 24.016 1128 HH21 ARG 152 1HH1 ARG 152 -4.726 3.709 27.290 1129 HH22 ARG 152 2HH1 ARG 152 -5.907 4.369 26.210 1130 H LEU 153 H LEU 153 2.214 1.578 25.916 1131 HA LEU 153 HA LEU 153 1.833 2.344 28.773 1132 HB2 LEU 153 2HB LEU 153 3.484 0.529 28.686 1133 HB3 LEU 153 3HB LEU 153 4.419 1.415 27.481 1134 HG LEU 153 HG LEU 153 4.788 3.241 29.106 1135 HD11 LEU 153 1HD1 LEU 153 2.941 1.539 30.770 1136 HD12 LEU 153 2HD1 LEU 153 2.937 3.287 30.535 1137 HD13 LEU 153 3HD1 LEU 153 4.150 2.544 31.569 1138 HD21 LEU 153 3HD2 LEU 153 5.491 0.436 29.988 1139 HD22 LEU 153 1HD2 LEU 153 6.126 1.874 30.790 1140 HD23 LEU 153 2HD2 LEU 153 6.495 1.578 29.092 1141 H GLU 154 H GLU 154 1.904 4.476 29.033 1142 HA GLU 154 HA GLU 154 3.522 6.151 27.150 1143 HB2 GLU 154 2HB GLU 154 0.690 6.689 28.086 1144 HB3 GLU 154 3HB GLU 154 1.692 7.844 27.208 1145 HG2 GLU 154 2HG GLU 154 0.933 5.095 26.179 1146 HG3 GLU 154 3HG GLU 154 0.136 6.596 25.712 1147 H HIS 155 H HIS 155 4.252 8.117 28.031 1148 HA HIS 155 HA HIS 155 4.995 8.019 30.813 1149 HB2 HIS 155 2HB HIS 155 5.178 10.242 28.755 1150 HB3 HIS 155 3HB HIS 155 5.923 10.305 30.352 1151 HD1 HIS 155 HD1 HIS 155 6.130 8.441 27.066 1152 HD2 HIS 155 HD2 HIS 155 8.274 8.780 30.626 1153 HE1 HIS 155 HE1 HIS 155 8.323 7.228 26.700 1154 H HIS 156 H HIS 156 4.721 10.626 31.708 1155 HA HIS 156 HA HIS 156 1.899 11.424 31.583 1156 HB2 HIS 156 2HB HIS 156 1.448 11.096 33.958 1157 HB3 HIS 156 3HB HIS 156 1.892 9.549 33.233 1158 HD1 HIS 156 HD1 HIS 156 2.893 11.950 35.842 1159 HD2 HIS 156 HD2 HIS 156 4.669 8.769 33.817 1160 HE1 HIS 156 HE1 HIS 156 4.983 11.352 37.142 1161 H HIS 157 H HIS 157 1.717 12.995 33.754 1162 HA HIS 157 HA HIS 157 2.268 15.110 34.564 1163 HB2 HIS 157 2HB HIS 157 4.185 13.799 35.521 1164 HB3 HIS 157 3HB HIS 157 5.131 14.239 34.102 1165 HD1 HIS 157 HD1 HIS 157 3.101 16.015 36.807 1166 HD2 HIS 157 HD2 HIS 157 6.454 16.644 34.412 1167 HE1 HIS 157 HE1 HIS 157 4.084 18.235 37.522 1168 H HIS 158 H HIS 158 5.040 14.754 32.381 1169 HA HIS 158 HA HIS 158 4.275 17.287 31.057 1170 HB2 HIS 158 2HB HIS 158 6.513 17.231 30.103 1171 HB3 HIS 158 3HB HIS 158 6.616 16.906 31.831 1172 HD1 HIS 158 HD1 HIS 158 7.233 14.488 32.566 1173 HD2 HIS 158 HD2 HIS 158 7.171 15.024 28.432 1174 HE1 HIS 158 HE1 HIS 158 8.331 12.439 31.562 1175 H HIS 159 H HIS 159 3.309 17.353 29.160 1176 HA HIS 159 HA HIS 159 2.241 16.618 27.216 1177 HB2 HIS 159 2HB HIS 159 4.926 15.251 26.945 1178 HB3 HIS 159 3HB HIS 159 3.753 15.422 25.639 1179 HD1 HIS 159 HD1 HIS 159 3.196 17.903 24.864 1180 HD2 HIS 159 HD2 HIS 159 6.433 17.559 27.469 1181 HE1 HIS 159 HE1 HIS 159 4.458 20.097 24.734 1182 H HIS 160 H HIS 160 1.985 14.460 25.813 1183 HA HIS 160 HA HIS 160 0.305 12.732 27.183 1184 HB2 HIS 160 2HB HIS 160 2.058 12.215 24.768 1185 HB3 HIS 160 3HB HIS 160 0.851 11.061 25.337 1186 HD1 HIS 160 HD1 HIS 160 1.147 14.574 23.949 1187 HD2 HIS 160 HD2 HIS 160 -1.804 11.726 24.701 1188 HE1 HIS 160 HE1 HIS 160 -0.982 15.452 22.894
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