NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
557956 | 2lp2 | 18230 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -6.360 9.902 12.572 2 HA2 GLY 1 2HA GLY 1 -8.287 9.114 13.705 3 HA3 GLY 1 1HA GLY 1 -8.927 9.515 12.114 4 H SER 2 H SER 2 -9.272 7.849 10.587 5 HA SER 2 HA SER 2 -10.225 5.414 11.654 6 HB2 SER 2 2HB SER 2 -9.498 6.054 8.786 7 HB3 SER 2 1HB SER 2 -10.537 4.742 9.330 8 HG SER 2 HG SER 2 -12.043 6.195 9.976 9 H GLU 3 H GLU 3 -9.440 3.248 11.292 10 HA GLU 3 HA GLU 3 -6.718 2.899 11.917 11 HB2 GLU 3 2HB GLU 3 -8.753 0.962 10.806 12 HB3 GLU 3 1HB GLU 3 -7.158 0.488 11.382 13 HG2 GLU 3 2HG GLU 3 -7.680 1.466 13.587 14 HG3 GLU 3 1HG GLU 3 -9.293 1.882 13.012 15 H LEU 4 H LEU 4 -8.428 2.747 8.803 16 HA LEU 4 HA LEU 4 -6.303 1.627 7.324 17 HB2 LEU 4 2HB LEU 4 -8.763 2.106 6.649 18 HB3 LEU 4 1HB LEU 4 -8.184 3.720 6.242 19 HG LEU 4 HG LEU 4 -6.871 1.208 5.172 20 HD11 LEU 4 1HD1 LEU 4 -8.203 1.349 3.176 21 HD12 LEU 4 2HD1 LEU 4 -9.036 2.785 3.762 22 HD13 LEU 4 3HD1 LEU 4 -9.291 1.232 4.556 23 HD21 LEU 4 3HD2 LEU 4 -6.802 3.388 3.325 24 HD22 LEU 4 1HD2 LEU 4 -5.471 2.607 4.165 25 HD23 LEU 4 2HD2 LEU 4 -6.275 3.995 4.887 26 H GLU 5 H GLU 5 -7.152 4.960 8.197 27 HA GLU 5 HA GLU 5 -5.048 6.222 6.765 28 HB2 GLU 5 2HB GLU 5 -6.616 7.111 9.193 29 HB3 GLU 5 1HB GLU 5 -5.453 8.133 8.350 30 HG2 GLU 5 2HG GLU 5 -6.755 7.847 6.264 31 HG3 GLU 5 1HG GLU 5 -7.938 6.888 7.148 32 H THR 6 H THR 6 -5.303 4.856 10.017 33 HA THR 6 HA THR 6 -2.859 5.831 11.023 34 HB THR 6 HB THR 6 -4.141 3.148 11.614 35 HG1 THR 6 1HG THR 6 -4.478 5.569 13.024 36 HG21 THR 6 3HG2 THR 6 -2.947 3.269 13.700 37 HG22 THR 6 1HG2 THR 6 -2.405 4.911 13.356 38 HG23 THR 6 2HG2 THR 6 -1.780 3.560 12.411 39 H ALA 7 H ALA 7 -3.714 3.004 9.106 40 HA ALA 7 HA ALA 7 -1.128 1.821 9.047 41 HB1 ALA 7 1HB ALA 7 -3.464 0.897 8.270 42 HB2 ALA 7 2HB ALA 7 -1.999 0.370 7.448 43 HB3 ALA 7 3HB ALA 7 -3.016 1.613 6.725 44 H MET 8 H MET 8 -2.795 4.053 6.838 45 HA MET 8 HA MET 8 -0.757 4.254 4.891 46 HB2 MET 8 2HB MET 8 -2.879 6.216 5.813 47 HB3 MET 8 1HB MET 8 -1.884 6.456 4.377 48 HG2 MET 8 2HG MET 8 -2.718 4.333 3.434 49 HG3 MET 8 1HG MET 8 -3.712 4.072 4.855 50 HE1 MET 8 3HE MET 8 -2.986 5.885 1.710 51 HE2 MET 8 1HE MET 8 -3.020 7.397 2.629 52 HE3 MET 8 2HE MET 8 -4.279 7.049 1.449 53 H GLU 9 H GLU 9 -1.348 6.043 7.890 54 HA GLU 9 HA GLU 9 0.805 7.864 7.590 55 HB2 GLU 9 2HB GLU 9 -0.644 6.894 10.060 56 HB3 GLU 9 1HB GLU 9 0.572 8.171 10.068 57 HG2 GLU 9 2HG GLU 9 -0.784 9.455 8.440 58 HG3 GLU 9 1HG GLU 9 -2.015 8.201 8.488 59 H THR 10 H THR 10 0.531 4.582 8.920 60 HA THR 10 HA THR 10 3.086 4.559 10.143 61 HB THR 10 HB THR 10 1.580 2.242 8.938 62 HG1 THR 10 1HG THR 10 1.051 3.831 11.035 63 HG21 THR 10 3HG2 THR 10 3.640 2.332 11.160 64 HG22 THR 10 1HG2 THR 10 3.984 1.835 9.499 65 HG23 THR 10 2HG2 THR 10 2.878 0.888 10.497 66 H LEU 11 H LEU 11 1.951 3.691 6.862 67 HA LEU 11 HA LEU 11 4.463 2.746 5.942 68 HB2 LEU 11 2HB LEU 11 2.371 4.194 4.296 69 HB3 LEU 11 1HB LEU 11 3.616 3.111 3.688 70 HG LEU 11 HG LEU 11 1.237 2.385 5.406 71 HD11 LEU 11 1HD1 LEU 11 2.083 1.726 2.586 72 HD12 LEU 11 2HD1 LEU 11 0.638 2.594 3.105 73 HD13 LEU 11 3HD1 LEU 11 0.795 0.869 3.432 74 HD21 LEU 11 3HD2 LEU 11 2.163 0.002 4.955 75 HD22 LEU 11 1HD2 LEU 11 2.867 0.948 6.266 76 HD23 LEU 11 2HD2 LEU 11 3.706 0.812 4.708 77 H ILE 12 H ILE 12 2.959 5.948 5.977 78 HA ILE 12 HA ILE 12 5.067 7.286 4.627 79 HB ILE 12 HB ILE 12 3.102 8.331 6.674 80 HG12 ILE 12 2HG1 ILE 12 3.106 8.588 3.657 81 HG13 ILE 12 1HG1 ILE 12 2.187 7.364 4.508 82 HG21 ILE 12 1HG2 ILE 12 5.023 9.746 4.811 83 HG22 ILE 12 2HG2 ILE 12 4.986 9.831 6.573 84 HG23 ILE 12 3HG2 ILE 12 3.681 10.548 5.626 85 HD11 ILE 12 3HD1 ILE 12 1.918 10.286 5.201 86 HD12 ILE 12 1HD1 ILE 12 0.789 8.972 5.534 87 HD13 ILE 12 2HD1 ILE 12 0.982 9.571 3.885 88 H ASN 13 H ASN 13 4.481 6.713 8.069 89 HA ASN 13 HA ASN 13 6.665 8.163 9.058 90 HB2 ASN 13 2HB ASN 13 5.207 5.781 10.190 91 HB3 ASN 13 1HB ASN 13 6.372 6.749 11.093 92 HD21 ASN 13 1HD2 ASN 13 3.633 6.588 11.913 93 HD22 ASN 13 2HD2 ASN 13 2.919 8.112 11.689 94 H VAL 14 H VAL 14 6.491 4.722 8.065 95 HA VAL 14 HA VAL 14 9.181 4.278 8.978 96 HB VAL 14 HB VAL 14 9.065 2.058 8.020 97 HG11 VAL 14 1HG1 VAL 14 8.031 2.024 10.088 98 HG12 VAL 14 2HG1 VAL 14 6.725 1.418 9.071 99 HG13 VAL 14 3HG1 VAL 14 6.733 3.103 9.584 100 HG21 VAL 14 3HG2 VAL 14 6.770 1.398 6.950 101 HG22 VAL 14 1HG2 VAL 14 7.980 2.185 5.933 102 HG23 VAL 14 2HG2 VAL 14 6.634 3.108 6.578 103 H PHE 15 H PHE 15 7.734 4.950 5.776 104 HA PHE 15 HA PHE 15 10.152 4.659 4.322 105 HB2 PHE 15 2HB PHE 15 8.003 4.870 3.175 106 HB3 PHE 15 1HB PHE 15 7.820 6.518 3.787 107 HD1 PHE 15 1HD PHE 15 10.132 4.355 1.782 108 HD2 PHE 15 2HD PHE 15 8.756 8.327 2.650 109 HE1 PHE 15 1HE PHE 15 11.508 5.249 -0.071 110 HE2 PHE 15 2HE PHE 15 10.125 9.213 0.786 111 HZ PHE 15 HZ PHE 15 11.505 7.670 -0.578 112 H HIS 16 H HIS 16 8.634 7.448 5.870 113 HA HIS 16 HA HIS 16 10.722 9.271 5.291 114 HB2 HIS 16 2HB HIS 16 8.433 9.983 5.977 115 HB3 HIS 16 1HB HIS 16 8.751 9.344 7.589 116 HD1 HIS 16 1HD HIS 16 10.444 11.774 5.169 117 HD2 HIS 16 2HD HIS 16 9.806 11.267 9.257 118 HE1 HIS 16 1HE HIS 16 11.470 13.790 6.310 119 HE2 HIS 16 2HE HIS 16 11.088 13.496 8.803 120 H ALA 17 H ALA 17 10.182 6.970 7.876 121 HA ALA 17 HA ALA 17 12.105 7.954 9.642 122 HB1 ALA 17 1HB ALA 17 10.577 6.052 10.161 123 HB2 ALA 17 2HB ALA 17 12.261 5.663 10.497 124 HB3 ALA 17 3HB ALA 17 11.489 5.037 9.036 125 H HIS 18 H HIS 18 12.458 5.520 7.016 126 HA HIS 18 HA HIS 18 15.347 5.621 7.429 127 HB2 HIS 18 2HB HIS 18 13.585 4.075 5.583 128 HB3 HIS 18 1HB HIS 18 15.333 4.102 5.341 129 HD1 HIS 18 1HD HIS 18 16.578 2.388 6.674 130 HD2 HIS 18 2HD HIS 18 13.001 3.447 8.524 131 HE1 HIS 18 1HE HIS 18 16.449 1.058 8.827 132 HE2 HIS 18 2HE HIS 18 14.280 1.694 9.963 133 H SER 19 H SER 19 13.287 6.654 4.619 134 HA SER 19 HA SER 19 15.461 7.602 3.126 135 HB2 SER 19 2HB SER 19 13.155 7.421 2.211 136 HB3 SER 19 1HB SER 19 12.699 8.831 3.159 137 HG SER 19 HG SER 19 14.840 8.775 1.267 138 H GLY 20 H GLY 20 13.485 9.114 5.630 139 HA2 GLY 20 2HA GLY 20 14.699 11.691 5.587 140 HA3 GLY 20 1HA GLY 20 13.701 11.047 6.852 141 H LYS 21 H LYS 21 15.199 8.813 7.601 142 HA LYS 21 HA LYS 21 17.058 9.976 9.371 143 HB2 LYS 21 2HB LYS 21 16.028 7.805 9.761 144 HB3 LYS 21 1HB LYS 21 16.936 7.109 8.421 145 HG2 LYS 21 2HG LYS 21 19.032 7.662 9.631 146 HG3 LYS 21 1HG LYS 21 18.073 8.322 10.954 147 HD2 LYS 21 2HD LYS 21 18.645 6.030 11.506 148 HD3 LYS 21 1HD LYS 21 16.923 6.106 11.163 149 HE2 LYS 21 2HE LYS 21 18.587 5.585 8.778 150 HE3 LYS 21 1HE LYS 21 18.677 4.320 10.006 151 HZ1 LYS 21 3HZ LYS 21 16.622 3.666 9.550 152 HZ2 LYS 21 1HZ LYS 21 16.677 4.662 8.178 153 HZ3 LYS 21 2HZ LYS 21 16.007 5.248 9.625 154 H GLU 22 H GLU 22 17.642 8.362 6.223 155 HA GLU 22 HA GLU 22 20.360 9.544 6.306 156 HB2 GLU 22 2HB GLU 22 19.623 6.803 5.334 157 HB3 GLU 22 1HB GLU 22 21.191 7.559 5.056 158 HG2 GLU 22 2HG GLU 22 21.457 7.809 7.515 159 HG3 GLU 22 1HG GLU 22 19.932 6.972 7.734 160 H GLY 23 H GLY 23 21.308 10.130 4.335 161 HA2 GLY 23 2HA GLY 23 21.344 11.066 2.240 162 HA3 GLY 23 1HA GLY 23 20.313 9.720 1.776 163 H ASP 24 H ASP 24 19.092 10.921 0.336 164 HA ASP 24 HA ASP 24 17.809 13.378 1.046 165 HB2 ASP 24 2HB ASP 24 17.296 11.423 -1.197 166 HB3 ASP 24 1HB ASP 24 16.484 12.977 -1.040 167 H LYS 25 H LYS 25 15.800 13.739 1.806 168 HA LYS 25 HA LYS 25 14.613 11.808 3.421 169 HB2 LYS 25 2HB LYS 25 13.371 14.349 2.370 170 HB3 LYS 25 1HB LYS 25 12.799 13.402 3.754 171 HG2 LYS 25 2HG LYS 25 15.087 13.737 4.833 172 HG3 LYS 25 1HG LYS 25 15.471 14.868 3.540 173 HD2 LYS 25 2HD LYS 25 13.085 15.136 5.395 174 HD3 LYS 25 1HD LYS 25 14.612 15.992 5.600 175 HE2 LYS 25 2HE LYS 25 14.142 16.680 3.060 176 HE3 LYS 25 1HE LYS 25 12.472 16.394 3.553 177 HZ1 LYS 25 3HZ LYS 25 14.327 18.075 5.131 178 HZ2 LYS 25 1HZ LYS 25 12.637 17.987 5.247 179 HZ3 LYS 25 2HZ LYS 25 13.358 18.711 3.890 180 H TYR 26 H TYR 26 13.899 12.674 0.106 181 HA TYR 26 HA TYR 26 11.574 10.858 0.157 182 HB2 TYR 26 2HB TYR 26 12.362 12.976 -1.847 183 HB3 TYR 26 1HB TYR 26 10.922 11.960 -1.949 184 HD1 TYR 26 2HD TYR 26 9.189 12.076 -0.132 185 HD2 TYR 26 1HD TYR 26 12.441 14.870 -0.391 186 HE1 TYR 26 2HE TYR 26 7.979 13.622 1.382 187 HE2 TYR 26 1HE TYR 26 11.232 16.416 1.126 188 HH TYR 26 HH TYR 26 9.500 16.557 2.604 189 H LYS 27 H LYS 27 14.570 10.075 -0.171 190 HA LYS 27 HA LYS 27 14.003 8.360 -2.526 191 HB2 LYS 27 2HB LYS 27 15.530 10.382 -3.145 192 HB3 LYS 27 1HB LYS 27 16.758 9.521 -2.226 193 HG2 LYS 27 2HG LYS 27 17.003 8.828 -4.493 194 HG3 LYS 27 1HG LYS 27 16.249 7.494 -3.622 195 HD2 LYS 27 2HD LYS 27 14.409 7.569 -4.947 196 HD3 LYS 27 1HD LYS 27 14.178 9.281 -4.625 197 HE2 LYS 27 2HE LYS 27 15.494 9.929 -6.469 198 HE3 LYS 27 1HE LYS 27 16.277 8.359 -6.586 199 HZ1 LYS 27 3HZ LYS 27 14.612 8.638 -8.306 200 HZ2 LYS 27 1HZ LYS 27 13.415 8.915 -7.138 201 HZ3 LYS 27 2HZ LYS 27 14.162 7.392 -7.243 202 H LEU 28 H LEU 28 14.695 6.270 -2.252 203 HA LEU 28 HA LEU 28 16.085 5.737 0.303 204 HB2 LEU 28 2HB LEU 28 13.654 4.962 -0.254 205 HB3 LEU 28 1HB LEU 28 14.436 3.783 -1.250 206 HG LEU 28 HG LEU 28 15.644 2.856 0.674 207 HD11 LEU 28 1HD1 LEU 28 14.342 5.163 2.123 208 HD12 LEU 28 2HD1 LEU 28 15.965 4.497 2.315 209 HD13 LEU 28 3HD1 LEU 28 14.584 3.646 2.983 210 HD21 LEU 28 3HD2 LEU 28 12.669 3.159 1.250 211 HD22 LEU 28 1HD2 LEU 28 13.695 1.826 1.760 212 HD23 LEU 28 2HD2 LEU 28 13.324 2.053 0.046 213 H SER 29 H SER 29 18.070 4.819 0.194 214 HA SER 29 HA SER 29 19.042 3.901 -2.429 215 HB2 SER 29 2HB SER 29 21.274 4.277 -1.555 216 HB3 SER 29 1HB SER 29 20.291 5.715 -1.293 217 HG SER 29 HG SER 29 20.449 3.696 0.658 218 H LYS 30 H LYS 30 20.667 2.070 -2.360 219 HA LYS 30 HA LYS 30 19.481 -0.295 -1.569 220 HB2 LYS 30 2HB LYS 30 21.413 -0.089 -3.118 221 HB3 LYS 30 1HB LYS 30 22.444 0.216 -1.721 222 HG2 LYS 30 2HG LYS 30 21.705 -2.011 -0.773 223 HG3 LYS 30 1HG LYS 30 20.848 -2.298 -2.287 224 HD2 LYS 30 2HD LYS 30 23.024 -3.343 -2.442 225 HD3 LYS 30 1HD LYS 30 23.012 -1.939 -3.510 226 HE2 LYS 30 2HE LYS 30 24.470 -0.748 -2.177 227 HE3 LYS 30 1HE LYS 30 23.895 -1.492 -0.679 228 HZ1 LYS 30 3HZ LYS 30 25.969 -2.361 -2.514 229 HZ2 LYS 30 1HZ LYS 30 24.951 -3.594 -1.950 230 HZ3 LYS 30 2HZ LYS 30 25.806 -2.629 -0.845 231 H LYS 31 H LYS 31 22.083 1.450 0.101 232 HA LYS 31 HA LYS 31 22.377 -0.383 2.190 233 HB2 LYS 31 2HB LYS 31 23.571 1.386 3.331 234 HB3 LYS 31 1HB LYS 31 23.952 1.478 1.610 235 HG2 LYS 31 2HG LYS 31 22.132 3.198 1.374 236 HG3 LYS 31 1HG LYS 31 21.972 3.182 3.128 237 HD2 LYS 31 2HD LYS 31 24.358 3.684 3.294 238 HD3 LYS 31 1HD LYS 31 24.412 3.962 1.561 239 HE2 LYS 31 2HE LYS 31 24.033 6.120 2.416 240 HE3 LYS 31 1HE LYS 31 22.401 5.569 2.038 241 HZ1 LYS 31 3HZ LYS 31 23.414 4.904 4.682 242 HZ2 LYS 31 1HZ LYS 31 21.860 5.385 4.204 243 HZ3 LYS 31 2HZ LYS 31 23.085 6.546 4.399 244 H GLU 32 H GLU 32 20.496 2.632 1.995 245 HA GLU 32 HA GLU 32 19.408 2.503 4.586 246 HB2 GLU 32 2HB GLU 32 18.193 3.721 2.093 247 HB3 GLU 32 1HB GLU 32 17.655 4.027 3.743 248 HG2 GLU 32 2HG GLU 32 19.930 4.872 4.289 249 HG3 GLU 32 1HG GLU 32 20.382 4.663 2.608 250 H LEU 33 H LEU 33 17.876 1.377 1.478 251 HA LEU 33 HA LEU 33 15.561 0.471 2.811 252 HB2 LEU 33 2HB LEU 33 15.150 -1.028 0.854 253 HB3 LEU 33 1HB LEU 33 15.328 0.662 0.483 254 HG LEU 33 HG LEU 33 17.923 -0.183 0.205 255 HD11 LEU 33 1HD1 LEU 33 17.145 -2.576 0.466 256 HD12 LEU 33 2HD1 LEU 33 17.911 -2.254 -1.083 257 HD13 LEU 33 3HD1 LEU 33 16.161 -2.364 -0.986 258 HD21 LEU 33 3HD2 LEU 33 17.145 -0.303 -2.344 259 HD22 LEU 33 1HD2 LEU 33 17.064 1.228 -1.467 260 HD23 LEU 33 2HD2 LEU 33 15.614 0.254 -1.687 261 H LYS 34 H LYS 34 18.673 -1.041 2.228 262 HA LYS 34 HA LYS 34 17.925 -3.624 2.976 263 HB2 LYS 34 2HB LYS 34 20.189 -3.012 2.135 264 HB3 LYS 34 1HB LYS 34 20.506 -2.183 3.656 265 HG2 LYS 34 2HG LYS 34 21.501 -4.323 3.913 266 HG3 LYS 34 1HG LYS 34 19.986 -4.423 4.799 267 HD2 LYS 34 2HD LYS 34 18.914 -5.571 2.935 268 HD3 LYS 34 1HD LYS 34 20.350 -5.354 1.950 269 HE2 LYS 34 2HE LYS 34 20.009 -7.095 4.380 270 HE3 LYS 34 1HE LYS 34 20.476 -7.574 2.748 271 HZ1 LYS 34 3HZ LYS 34 22.417 -5.898 3.225 272 HZ2 LYS 34 1HZ LYS 34 22.505 -7.512 3.741 273 HZ3 LYS 34 2HZ LYS 34 22.071 -6.292 4.841 274 H GLU 35 H GLU 35 18.580 -0.703 4.892 275 HA GLU 35 HA GLU 35 18.422 -2.120 7.399 276 HB2 GLU 35 2HB GLU 35 18.346 0.828 6.743 277 HB3 GLU 35 1HB GLU 35 18.423 0.159 8.373 278 HG2 GLU 35 2HG GLU 35 20.515 -1.026 7.781 279 HG3 GLU 35 1HG GLU 35 20.461 -0.288 6.182 280 H LEU 36 H LEU 36 16.137 -0.109 5.513 281 HA LEU 36 HA LEU 36 14.140 0.035 7.513 282 HB2 LEU 36 2HB LEU 36 14.374 1.386 5.319 283 HB3 LEU 36 1HB LEU 36 13.552 0.033 4.554 284 HG LEU 36 HG LEU 36 12.449 1.748 6.831 285 HD11 LEU 36 1HD1 LEU 36 11.269 2.915 5.281 286 HD12 LEU 36 2HD1 LEU 36 11.048 1.523 4.229 287 HD13 LEU 36 3HD1 LEU 36 12.563 2.411 4.196 288 HD21 LEU 36 3HD2 LEU 36 10.306 0.431 6.106 289 HD22 LEU 36 1HD2 LEU 36 11.438 -0.307 7.226 290 HD23 LEU 36 2HD2 LEU 36 11.447 -0.773 5.527 291 H LEU 37 H LEU 37 14.501 -2.310 4.773 292 HA LEU 37 HA LEU 37 12.082 -3.650 5.427 293 HB2 LEU 37 2HB LEU 37 14.507 -4.592 3.901 294 HB3 LEU 37 1HB LEU 37 13.103 -5.616 4.171 295 HG LEU 37 HG LEU 37 13.211 -4.261 1.964 296 HD11 LEU 37 1HD1 LEU 37 10.828 -4.074 1.880 297 HD12 LEU 37 2HD1 LEU 37 10.715 -3.839 3.623 298 HD13 LEU 37 3HD1 LEU 37 11.173 -5.412 2.973 299 HD21 LEU 37 3HD2 LEU 37 12.477 -1.979 2.060 300 HD22 LEU 37 1HD2 LEU 37 13.844 -2.141 3.148 301 HD23 LEU 37 2HD2 LEU 37 12.216 -2.079 3.797 302 H GLN 38 H GLN 38 15.450 -4.248 6.448 303 HA GLN 38 HA GLN 38 14.837 -6.606 7.894 304 HB2 GLN 38 2HB GLN 38 17.092 -4.633 8.270 305 HB3 GLN 38 1HB GLN 38 16.974 -6.181 9.104 306 HG2 GLN 38 2HG GLN 38 16.879 -7.316 6.873 307 HG3 GLN 38 1HG GLN 38 17.168 -5.758 6.103 308 HE21 GLN 38 1HE2 GLN 38 19.300 -4.801 6.330 309 HE22 GLN 38 2HE2 GLN 38 20.616 -5.691 6.926 310 H THR 39 H THR 39 14.852 -3.177 8.855 311 HA THR 39 HA THR 39 14.408 -3.740 11.623 312 HB THR 39 HB THR 39 13.860 -1.360 11.818 313 HG1 THR 39 1HG THR 39 13.444 -0.163 10.096 314 HG21 THR 39 3HG2 THR 39 16.140 -1.410 11.880 315 HG22 THR 39 1HG2 THR 39 15.993 -0.605 10.319 316 HG23 THR 39 2HG2 THR 39 16.269 -2.343 10.391 317 H GLU 40 H GLU 40 12.250 -3.093 8.895 318 HA GLU 40 HA GLU 40 9.922 -3.273 10.650 319 HB2 GLU 40 2HB GLU 40 10.234 -2.633 7.723 320 HB3 GLU 40 1HB GLU 40 8.676 -2.808 8.511 321 HG2 GLU 40 2HG GLU 40 10.834 -0.860 9.364 322 HG3 GLU 40 1HG GLU 40 9.407 -0.436 8.424 323 H LEU 41 H LEU 41 11.077 -4.926 7.688 324 HA LEU 41 HA LEU 41 9.272 -7.161 8.366 325 HB2 LEU 41 2HB LEU 41 10.745 -6.681 5.770 326 HB3 LEU 41 1HB LEU 41 9.499 -7.880 6.069 327 HG LEU 41 HG LEU 41 9.164 -4.870 6.002 328 HD11 LEU 41 1HD1 LEU 41 8.058 -5.187 3.994 329 HD12 LEU 41 2HD1 LEU 41 7.554 -6.825 4.405 330 HD13 LEU 41 3HD1 LEU 41 9.213 -6.516 3.907 331 HD21 LEU 41 3HD2 LEU 41 6.664 -5.567 6.255 332 HD22 LEU 41 1HD2 LEU 41 7.654 -5.466 7.707 333 HD23 LEU 41 2HD2 LEU 41 7.304 -7.039 6.975 334 H SER 42 H SER 42 9.980 -9.213 8.656 335 HA SER 42 HA SER 42 12.918 -9.557 8.800 336 HB2 SER 42 2HB SER 42 10.693 -10.410 10.576 337 HB3 SER 42 1HB SER 42 12.019 -11.549 10.365 338 HG SER 42 HG SER 42 12.597 -10.212 12.020 339 H GLY 43 H GLY 43 10.079 -11.688 8.657 340 HA2 GLY 43 2HA GLY 43 11.323 -13.798 7.333 341 HA3 GLY 43 1HA GLY 43 9.591 -13.520 7.382 342 H PHE 44 H PHE 44 9.600 -11.003 5.887 343 HA PHE 44 HA PHE 44 9.402 -12.070 3.299 344 HB2 PHE 44 2HB PHE 44 9.646 -9.212 4.238 345 HB3 PHE 44 1HB PHE 44 9.331 -9.655 2.562 346 HD1 PHE 44 1HD PHE 44 7.253 -10.816 1.927 347 HD2 PHE 44 2HD PHE 44 7.924 -9.484 5.964 348 HE1 PHE 44 1HE PHE 44 4.843 -11.102 2.429 349 HE2 PHE 44 2HE PHE 44 5.515 -9.772 6.456 350 HZ PHE 44 HZ PHE 44 3.974 -10.580 4.691 351 H LEU 45 H LEU 45 11.976 -9.908 4.574 352 HA LEU 45 HA LEU 45 13.556 -10.284 2.185 353 HB2 LEU 45 2HB LEU 45 13.768 -8.653 4.634 354 HB3 LEU 45 1HB LEU 45 15.316 -9.244 4.044 355 HG LEU 45 HG LEU 45 14.582 -6.988 3.114 356 HD11 LEU 45 1HD1 LEU 45 16.223 -7.727 1.743 357 HD12 LEU 45 2HD1 LEU 45 14.931 -8.135 0.617 358 HD13 LEU 45 3HD1 LEU 45 15.589 -9.373 1.695 359 HD21 LEU 45 3HD2 LEU 45 12.675 -6.750 1.904 360 HD22 LEU 45 1HD2 LEU 45 12.152 -8.238 2.689 361 HD23 LEU 45 2HD2 LEU 45 12.875 -8.290 1.077 362 H ASP 46 H ASP 46 13.596 -11.556 5.447 363 HA ASP 46 HA ASP 46 16.023 -12.924 5.302 364 HB2 ASP 46 2HB ASP 46 14.720 -12.515 7.387 365 HB3 ASP 46 1HB ASP 46 13.586 -13.765 6.878 366 H ALA 47 H ALA 47 12.831 -13.844 4.150 367 HA ALA 47 HA ALA 47 13.195 -16.592 3.880 368 HB1 ALA 47 1HB ALA 47 11.507 -16.338 1.976 369 HB2 ALA 47 2HB ALA 47 11.551 -14.608 2.321 370 HB3 ALA 47 3HB ALA 47 11.015 -15.743 3.561 371 H GLN 48 H GLN 48 14.255 -13.979 1.754 372 HA GLN 48 HA GLN 48 14.914 -15.600 -0.468 373 HB2 GLN 48 2HB GLN 48 16.259 -13.023 0.390 374 HB3 GLN 48 1HB GLN 48 16.363 -13.784 -1.197 375 HG2 GLN 48 2HG GLN 48 13.871 -12.630 0.093 376 HG3 GLN 48 1HG GLN 48 14.714 -12.020 -1.320 377 HE21 GLN 48 1HE2 GLN 48 12.043 -13.782 -0.449 378 HE22 GLN 48 2HE2 GLN 48 11.847 -14.703 -1.866 379 H LYS 49 H LYS 49 16.578 -14.815 2.490 380 HA LYS 49 HA LYS 49 18.369 -15.752 3.552 381 HB2 LYS 49 2HB LYS 49 17.326 -17.902 2.847 382 HB3 LYS 49 1HB LYS 49 18.305 -17.855 1.380 383 HG2 LYS 49 2HG LYS 49 20.358 -17.770 2.769 384 HG3 LYS 49 1HG LYS 49 19.361 -17.895 4.220 385 HD2 LYS 49 2HD LYS 49 18.443 -20.055 3.331 386 HD3 LYS 49 1HD LYS 49 19.595 -19.946 2.000 387 HE2 LYS 49 2HE LYS 49 21.464 -20.123 3.468 388 HE3 LYS 49 1HE LYS 49 20.466 -19.835 4.893 389 HZ1 LYS 49 3HZ LYS 49 19.264 -21.931 4.286 390 HZ2 LYS 49 1HZ LYS 49 20.866 -22.142 4.800 391 HZ3 LYS 49 2HZ LYS 49 20.487 -22.228 3.146 392 H ASP 50 H ASP 50 18.642 -15.341 0.054 393 HA ASP 50 HA ASP 50 21.496 -15.410 0.006 394 HB2 ASP 50 2HB ASP 50 19.523 -14.206 -1.936 395 HB3 ASP 50 1HB ASP 50 21.264 -14.318 -2.210 396 H VAL 51 H VAL 51 22.982 -13.791 0.048 397 HA VAL 51 HA VAL 51 22.312 -11.435 1.542 398 HB VAL 51 HB VAL 51 24.636 -10.908 1.480 399 HG11 VAL 51 1HG1 VAL 51 24.892 -13.877 1.385 400 HG12 VAL 51 2HG1 VAL 51 23.722 -13.212 2.527 401 HG13 VAL 51 3HG1 VAL 51 25.418 -12.736 2.622 402 HG21 VAL 51 3HG2 VAL 51 24.782 -12.839 -0.856 403 HG22 VAL 51 1HG2 VAL 51 26.198 -12.191 -0.032 404 HG23 VAL 51 2HG2 VAL 51 25.099 -11.107 -0.883 405 H ASP 52 H ASP 52 22.765 -12.201 -1.829 406 HA ASP 52 HA ASP 52 22.872 -9.425 -2.677 407 HB2 ASP 52 2HB ASP 52 22.672 -12.022 -4.217 408 HB3 ASP 52 1HB ASP 52 22.785 -10.432 -4.969 409 H ALA 53 H ALA 53 20.490 -11.276 -1.480 410 HA ALA 53 HA ALA 53 18.363 -11.116 -3.281 411 HB1 ALA 53 1HB ALA 53 16.929 -11.405 -1.364 412 HB2 ALA 53 2HB ALA 53 18.197 -10.841 -0.276 413 HB3 ALA 53 3HB ALA 53 18.381 -12.377 -1.122 414 H VAL 54 H VAL 54 19.597 -8.726 -0.959 415 HA VAL 54 HA VAL 54 17.488 -6.873 -1.190 416 HB VAL 54 HB VAL 54 19.393 -6.767 0.464 417 HG11 VAL 54 1HG1 VAL 54 20.908 -5.437 -1.786 418 HG12 VAL 54 2HG1 VAL 54 21.119 -7.148 -1.417 419 HG13 VAL 54 3HG1 VAL 54 21.516 -5.929 -0.206 420 HG21 VAL 54 3HG2 VAL 54 19.693 -4.193 0.067 421 HG22 VAL 54 1HG2 VAL 54 18.085 -4.823 0.423 422 HG23 VAL 54 2HG2 VAL 54 18.539 -4.440 -1.239 423 H ASP 55 H ASP 55 20.482 -7.287 -3.055 424 HA ASP 55 HA ASP 55 20.134 -5.061 -4.751 425 HB2 ASP 55 2HB ASP 55 21.565 -7.683 -5.142 426 HB3 ASP 55 1HB ASP 55 21.685 -6.331 -6.268 427 H LYS 56 H LYS 56 19.176 -8.466 -5.049 428 HA LYS 56 HA LYS 56 18.098 -8.278 -7.650 429 HB2 LYS 56 2HB LYS 56 17.368 -10.113 -5.357 430 HB3 LYS 56 1HB LYS 56 16.823 -10.324 -7.021 431 HG2 LYS 56 2HG LYS 56 19.210 -10.402 -7.752 432 HG3 LYS 56 1HG LYS 56 19.697 -10.321 -6.058 433 HD2 LYS 56 2HD LYS 56 18.368 -12.391 -5.620 434 HD3 LYS 56 1HD LYS 56 18.028 -12.498 -7.347 435 HE2 LYS 56 2HE LYS 56 19.904 -13.879 -7.143 436 HE3 LYS 56 1HE LYS 56 20.634 -12.339 -7.598 437 HZ1 LYS 56 3HZ LYS 56 21.499 -13.673 -5.544 438 HZ2 LYS 56 1HZ LYS 56 20.207 -12.910 -4.754 439 HZ3 LYS 56 2HZ LYS 56 21.415 -11.978 -5.501 440 H VAL 57 H VAL 57 16.663 -7.743 -4.459 441 HA VAL 57 HA VAL 57 14.001 -7.427 -5.363 442 HB VAL 57 HB VAL 57 15.403 -6.408 -2.888 443 HG11 VAL 57 1HG1 VAL 57 13.547 -4.996 -3.018 444 HG12 VAL 57 2HG1 VAL 57 12.894 -6.363 -2.114 445 HG13 VAL 57 3HG1 VAL 57 12.559 -6.205 -3.839 446 HG21 VAL 57 3HG2 VAL 57 13.359 -8.616 -3.085 447 HG22 VAL 57 1HG2 VAL 57 14.557 -8.331 -1.821 448 HG23 VAL 57 2HG2 VAL 57 15.063 -8.942 -3.398 449 H MET 58 H MET 58 16.538 -5.007 -4.647 450 HA MET 58 HA MET 58 14.870 -2.800 -5.186 451 HB2 MET 58 2HB MET 58 16.628 -1.479 -4.654 452 HB3 MET 58 1HB MET 58 17.219 -2.983 -3.975 453 HG2 MET 58 2HG MET 58 19.074 -2.436 -5.193 454 HG3 MET 58 1HG MET 58 18.191 -3.224 -6.492 455 HE1 MET 58 3HE MET 58 18.617 1.182 -5.508 456 HE2 MET 58 1HE MET 58 20.066 0.185 -5.703 457 HE3 MET 58 2HE MET 58 18.850 -0.243 -4.501 458 H LYS 59 H LYS 59 16.875 -4.691 -7.435 459 HA LYS 59 HA LYS 59 16.889 -2.810 -9.535 460 HB2 LYS 59 2HB LYS 59 16.804 -5.808 -9.696 461 HB3 LYS 59 1HB LYS 59 17.135 -4.717 -11.043 462 HG2 LYS 59 2HG LYS 59 18.868 -3.793 -9.049 463 HG3 LYS 59 1HG LYS 59 18.893 -5.543 -8.831 464 HD2 LYS 59 2HD LYS 59 19.261 -4.147 -11.458 465 HD3 LYS 59 1HD LYS 59 20.601 -4.711 -10.453 466 HE2 LYS 59 2HE LYS 59 20.004 -6.997 -10.739 467 HE3 LYS 59 1HE LYS 59 18.402 -6.590 -11.349 468 HZ1 LYS 59 3HZ LYS 59 20.983 -6.051 -12.714 469 HZ2 LYS 59 1HZ LYS 59 19.457 -5.591 -13.296 470 HZ3 LYS 59 2HZ LYS 59 19.847 -7.238 -13.148 471 H GLU 60 H GLU 60 14.471 -5.243 -8.611 472 HA GLU 60 HA GLU 60 12.736 -4.815 -10.816 473 HB2 GLU 60 2HB GLU 60 12.634 -6.791 -9.312 474 HB3 GLU 60 1HB GLU 60 12.035 -5.749 -8.024 475 HG2 GLU 60 2HG GLU 60 10.118 -5.108 -9.479 476 HG3 GLU 60 1HG GLU 60 10.695 -6.240 -10.696 477 H LEU 61 H LEU 61 12.977 -3.382 -7.609 478 HA LEU 61 HA LEU 61 10.599 -1.862 -7.778 479 HB2 LEU 61 2HB LEU 61 13.038 -1.355 -6.075 480 HB3 LEU 61 1HB LEU 61 11.458 -0.626 -5.841 481 HG LEU 61 HG LEU 61 12.126 -3.567 -5.604 482 HD11 LEU 61 1HD1 LEU 61 12.692 -1.743 -3.775 483 HD12 LEU 61 2HD1 LEU 61 12.001 -3.295 -3.308 484 HD13 LEU 61 3HD1 LEU 61 10.967 -1.870 -3.430 485 HD21 LEU 61 3HD2 LEU 61 9.911 -3.646 -6.370 486 HD22 LEU 61 1HD2 LEU 61 9.502 -2.091 -5.629 487 HD23 LEU 61 2HD2 LEU 61 9.697 -3.523 -4.638 488 H ASP 62 H ASP 62 13.916 -1.124 -8.728 489 HA ASP 62 HA ASP 62 13.322 1.651 -9.056 490 HB2 ASP 62 2HB ASP 62 15.633 0.657 -8.797 491 HB3 ASP 62 1HB ASP 62 15.501 0.129 -10.474 492 H GLU 63 H GLU 63 11.215 1.226 -10.182 493 HA GLU 63 HA GLU 63 11.182 0.337 -12.904 494 HB2 GLU 63 2HB GLU 63 9.106 0.600 -11.575 495 HB3 GLU 63 1HB GLU 63 9.381 2.343 -11.505 496 HG2 GLU 63 2HG GLU 63 9.308 2.453 -13.963 497 HG3 GLU 63 1HG GLU 63 9.000 0.727 -14.033 498 H ASN 64 H ASN 64 11.694 3.207 -11.184 499 HA ASN 64 HA ASN 64 11.843 5.127 -13.163 500 HB2 ASN 64 2HB ASN 64 11.628 5.506 -10.781 501 HB3 ASN 64 1HB ASN 64 13.200 4.789 -10.502 502 HD21 ASN 64 1HD2 ASN 64 11.834 7.454 -12.531 503 HD22 ASN 64 2HD2 ASN 64 13.108 8.523 -12.193 504 H GLY 65 H GLY 65 14.303 2.905 -11.893 505 HA2 GLY 65 2HA GLY 65 16.199 2.086 -12.943 506 HA3 GLY 65 1HA GLY 65 15.831 3.101 -14.328 507 H ASP 66 H ASP 66 15.990 4.710 -11.259 508 HA ASP 66 HA ASP 66 18.388 6.102 -12.174 509 HB2 ASP 66 2HB ASP 66 17.909 7.663 -10.342 510 HB3 ASP 66 1HB ASP 66 16.482 7.403 -11.344 511 H GLY 67 H GLY 67 17.977 3.333 -10.495 512 HA2 GLY 67 2HA GLY 67 19.663 2.089 -9.443 513 HA3 GLY 67 1HA GLY 67 20.609 3.565 -9.265 514 H GLU 68 H GLU 68 17.647 4.414 -8.311 515 HA GLU 68 HA GLU 68 18.077 3.682 -5.473 516 HB2 GLU 68 2HB GLU 68 16.891 6.225 -6.588 517 HB3 GLU 68 1HB GLU 68 16.973 5.804 -4.889 518 HG2 GLU 68 2HG GLU 68 18.818 7.189 -5.122 519 HG3 GLU 68 1HG GLU 68 19.540 5.585 -5.327 520 H VAL 69 H VAL 69 16.126 3.628 -4.175 521 HA VAL 69 HA VAL 69 13.786 2.784 -5.757 522 HB VAL 69 HB VAL 69 14.398 2.279 -2.837 523 HG11 VAL 69 1HG1 VAL 69 12.004 2.311 -3.303 524 HG12 VAL 69 2HG1 VAL 69 12.536 0.653 -3.022 525 HG13 VAL 69 3HG1 VAL 69 12.241 1.216 -4.666 526 HG21 VAL 69 3HG2 VAL 69 14.781 0.609 -5.308 527 HG22 VAL 69 1HG2 VAL 69 14.622 -0.118 -3.709 528 HG23 VAL 69 2HG2 VAL 69 15.954 0.987 -4.044 529 H ASP 70 H ASP 70 12.019 4.088 -5.730 530 HA ASP 70 HA ASP 70 12.191 6.492 -4.033 531 HB2 ASP 70 2HB ASP 70 11.966 6.717 -6.524 532 HB3 ASP 70 1HB ASP 70 10.357 6.041 -6.372 533 H PHE 71 H PHE 71 10.235 7.385 -3.133 534 HA PHE 71 HA PHE 71 8.968 5.754 -1.304 535 HB2 PHE 71 2HB PHE 71 9.068 8.318 -1.520 536 HB3 PHE 71 1HB PHE 71 7.701 8.172 -2.607 537 HD1 PHE 71 1HD PHE 71 6.863 5.604 -0.513 538 HD2 PHE 71 2HD PHE 71 7.439 9.853 -0.338 539 HE1 PHE 71 1HE PHE 71 5.321 5.730 1.413 540 HE2 PHE 71 2HE PHE 71 5.907 9.963 1.593 541 HZ PHE 71 HZ PHE 71 4.854 7.909 2.462 542 H GLN 72 H GLN 72 7.822 6.718 -4.566 543 HA GLN 72 HA GLN 72 5.324 5.369 -4.411 544 HB2 GLN 72 2HB GLN 72 7.066 6.026 -6.806 545 HB3 GLN 72 1HB GLN 72 5.403 5.448 -6.907 546 HG2 GLN 72 2HG GLN 72 4.635 7.390 -5.626 547 HG3 GLN 72 1HG GLN 72 6.280 7.969 -5.461 548 HE21 GLN 72 1HE2 GLN 72 4.345 9.601 -6.668 549 HE22 GLN 72 2HE2 GLN 72 4.686 9.738 -8.321 550 H GLU 73 H GLU 73 8.555 4.302 -5.478 551 HA GLU 73 HA GLU 73 7.800 1.757 -6.456 552 HB2 GLU 73 2HB GLU 73 10.400 2.687 -5.218 553 HB3 GLU 73 1HB GLU 73 10.196 1.206 -6.142 554 HG2 GLU 73 2HG GLU 73 9.502 2.568 -8.115 555 HG3 GLU 73 1HG GLU 73 9.803 4.030 -7.183 556 H TYR 74 H TYR 74 8.886 2.924 -3.324 557 HA TYR 74 HA TYR 74 8.965 0.487 -1.894 558 HB2 TYR 74 2HB TYR 74 10.009 2.637 -1.188 559 HB3 TYR 74 1HB TYR 74 8.401 3.289 -0.888 560 HD1 TYR 74 1HD TYR 74 10.939 0.865 0.205 561 HD2 TYR 74 2HD TYR 74 7.068 2.543 1.006 562 HE1 TYR 74 1HE TYR 74 10.966 -0.146 2.464 563 HE2 TYR 74 2HE TYR 74 7.094 1.521 3.266 564 HH TYR 74 HH TYR 74 9.940 -0.285 4.414 565 H VAL 75 H VAL 75 6.529 2.901 -2.433 566 HA VAL 75 HA VAL 75 4.549 1.944 -0.690 567 HB VAL 75 HB VAL 75 4.775 4.124 -2.512 568 HG11 VAL 75 1HG1 VAL 75 3.621 2.999 -4.281 569 HG12 VAL 75 2HG1 VAL 75 2.503 4.140 -3.548 570 HG13 VAL 75 3HG1 VAL 75 2.377 2.433 -3.184 571 HG21 VAL 75 3HG2 VAL 75 2.627 3.284 -0.567 572 HG22 VAL 75 1HG2 VAL 75 2.590 4.822 -1.429 573 HG23 VAL 75 2HG2 VAL 75 3.923 4.464 -0.329 574 H VAL 76 H VAL 76 5.070 1.281 -4.180 575 HA VAL 76 HA VAL 76 2.854 -0.531 -4.215 576 HB VAL 76 HB VAL 76 3.644 -1.305 -6.363 577 HG11 VAL 76 1HG1 VAL 76 4.261 1.649 -6.272 578 HG12 VAL 76 2HG1 VAL 76 2.624 1.049 -5.995 579 HG13 VAL 76 3HG1 VAL 76 3.432 0.738 -7.533 580 HG21 VAL 76 3HG2 VAL 76 6.099 -1.348 -5.666 581 HG22 VAL 76 1HG2 VAL 76 6.105 0.385 -5.962 582 HG23 VAL 76 2HG2 VAL 76 5.775 -0.723 -7.282 583 H LEU 77 H LEU 77 6.319 -0.892 -3.422 584 HA LEU 77 HA LEU 77 6.372 -3.706 -3.410 585 HB2 LEU 77 2HB LEU 77 8.411 -2.435 -3.078 586 HB3 LEU 77 1HB LEU 77 7.781 -1.732 -1.600 587 HG LEU 77 HG LEU 77 7.708 -4.088 -0.623 588 HD11 LEU 77 1HD1 LEU 77 8.083 -5.079 -3.110 589 HD12 LEU 77 2HD1 LEU 77 8.602 -5.919 -1.658 590 HD13 LEU 77 3HD1 LEU 77 9.758 -4.982 -2.583 591 HD21 LEU 77 3HD2 LEU 77 10.302 -4.142 -0.455 592 HD22 LEU 77 1HD2 LEU 77 9.435 -2.735 0.163 593 HD23 LEU 77 2HD2 LEU 77 10.227 -2.663 -1.411 594 H VAL 78 H VAL 78 5.548 -1.525 -0.668 595 HA VAL 78 HA VAL 78 4.946 -3.746 1.017 596 HB VAL 78 HB VAL 78 3.876 -2.178 2.561 597 HG11 VAL 78 1HG1 VAL 78 6.559 -1.628 1.380 598 HG12 VAL 78 2HG1 VAL 78 6.125 -2.247 2.976 599 HG13 VAL 78 3HG1 VAL 78 5.939 -0.531 2.616 600 HG21 VAL 78 3HG2 VAL 78 2.839 -0.682 0.828 601 HG22 VAL 78 1HG2 VAL 78 4.439 -0.012 0.507 602 HG23 VAL 78 2HG2 VAL 78 3.701 0.187 2.090 603 H ALA 79 H ALA 79 2.952 -1.782 -1.158 604 HA ALA 79 HA ALA 79 0.475 -2.855 -0.178 605 HB1 ALA 79 1HB ALA 79 -0.527 -1.581 -1.767 606 HB2 ALA 79 2HB ALA 79 0.652 -1.998 -3.017 607 HB3 ALA 79 3HB ALA 79 1.048 -0.809 -1.788 608 H ALA 80 H ALA 80 2.455 -3.697 -3.014 609 HA ALA 80 HA ALA 80 0.801 -5.798 -3.910 610 HB1 ALA 80 1HB ALA 80 2.421 -4.901 -5.420 611 HB2 ALA 80 2HB ALA 80 2.908 -6.569 -5.092 612 HB3 ALA 80 3HB ALA 80 3.746 -5.233 -4.300 613 H LEU 81 H LEU 81 3.531 -5.640 -1.632 614 HA LEU 81 HA LEU 81 3.599 -8.453 -1.190 615 HB2 LEU 81 2HB LEU 81 4.750 -6.093 0.218 616 HB3 LEU 81 1HB LEU 81 4.612 -7.600 1.115 617 HG LEU 81 HG LEU 81 5.894 -8.790 -0.588 618 HD11 LEU 81 1HD1 LEU 81 6.741 -7.842 -2.566 619 HD12 LEU 81 2HD1 LEU 81 6.404 -6.203 -2.041 620 HD13 LEU 81 3HD1 LEU 81 5.084 -7.263 -2.512 621 HD21 LEU 81 3HD2 LEU 81 8.064 -7.677 -0.291 622 HD22 LEU 81 1HD2 LEU 81 7.128 -7.627 1.203 623 HD23 LEU 81 2HD2 LEU 81 7.245 -6.190 0.186 624 H THR 82 H THR 82 1.658 -5.813 0.171 625 HA THR 82 HA THR 82 0.598 -7.275 2.361 626 HB THR 82 HB THR 82 -0.784 -5.133 0.731 627 HG1 THR 82 1HG THR 82 0.192 -3.717 2.176 628 HG21 THR 82 3HG2 THR 82 -1.849 -6.655 2.736 629 HG22 THR 82 1HG2 THR 82 -2.330 -4.993 2.400 630 HG23 THR 82 2HG2 THR 82 -1.144 -5.331 3.660 631 H VAL 83 H VAL 83 -0.713 -6.793 -0.952 632 HA VAL 83 HA VAL 83 -2.941 -8.527 -0.481 633 HB VAL 83 HB VAL 83 -2.956 -6.940 -2.374 634 HG11 VAL 83 1HG1 VAL 83 -1.704 -7.312 -4.367 635 HG12 VAL 83 2HG1 VAL 83 -1.132 -8.882 -3.808 636 HG13 VAL 83 3HG1 VAL 83 -0.553 -7.405 -3.060 637 HG21 VAL 83 3HG2 VAL 83 -3.159 -9.679 -3.588 638 HG22 VAL 83 1HG2 VAL 83 -4.269 -8.313 -3.716 639 HG23 VAL 83 2HG2 VAL 83 -4.210 -9.261 -2.232 640 H ALA 84 H ALA 84 0.321 -9.132 -1.705 641 HA ALA 84 HA ALA 84 -0.111 -11.852 -2.399 642 HB1 ALA 84 1HB ALA 84 1.847 -10.359 -3.064 643 HB2 ALA 84 2HB ALA 84 2.245 -12.011 -2.584 644 HB3 ALA 84 3HB ALA 84 2.502 -10.678 -1.457 645 H CYS 85 H CHC 85 0.565 -10.169 0.566 646 HA CYS 85 HA CHC 85 1.372 -12.402 2.119 647 HB2 CYS 85 2HB CHC 85 1.786 -10.037 2.777 648 HB3 CYS 85 1HB CHC 85 0.055 -9.833 3.038 649 H ASN 86 H ASN 86 -1.755 -10.635 1.892 650 HA ASN 86 HA ASN 86 -3.174 -12.430 3.537 651 HB2 ASN 86 2HB ASN 86 -4.072 -10.251 2.670 652 HB3 ASN 86 1HB ASN 86 -4.291 -11.024 1.101 653 HD21 ASN 86 1HD2 ASN 86 -5.224 -11.418 4.558 654 HD22 ASN 86 2HD2 ASN 86 -6.715 -12.156 4.222 655 H ASN 87 H ASN 87 -2.444 -12.486 0.061 656 HA ASN 87 HA ASN 87 -3.907 -14.825 -0.618 657 HB2 ASN 87 2HB ASN 87 -1.317 -13.728 -1.743 658 HB3 ASN 87 1HB ASN 87 -2.279 -15.001 -2.490 659 HD21 ASN 87 1HD2 ASN 87 -1.804 -12.521 -3.839 660 HD22 ASN 87 2HD2 ASN 87 -3.278 -11.688 -3.957 661 H PHE 88 H PHE 88 -0.621 -14.407 0.707 662 HA PHE 88 HA PHE 88 -0.049 -17.173 0.492 663 HB2 PHE 88 2HB PHE 88 1.701 -15.441 0.903 664 HB3 PHE 88 1HB PHE 88 1.060 -15.201 2.528 665 HD1 PHE 88 1HD PHE 88 2.722 -17.618 0.263 666 HD2 PHE 88 2HD PHE 88 1.460 -16.798 4.286 667 HE1 PHE 88 1HE PHE 88 4.063 -19.540 1.075 668 HE2 PHE 88 2HE PHE 88 2.801 -18.719 5.099 669 HZ PHE 88 HZ PHE 88 4.103 -20.090 3.493 670 H PHE 89 H PHE 89 -1.576 -15.241 3.073 671 HA PHE 89 HA PHE 89 -1.652 -17.318 4.987 672 HB2 PHE 89 2HB PHE 89 -2.032 -14.923 5.498 673 HB3 PHE 89 1HB PHE 89 -3.588 -15.017 4.673 674 HD1 PHE 89 2HD PHE 89 -1.630 -16.227 7.577 675 HD2 PHE 89 1HD PHE 89 -5.483 -16.115 5.680 676 HE1 PHE 89 2HE PHE 89 -2.675 -17.113 9.645 677 HE2 PHE 89 1HE PHE 89 -6.527 -17.000 7.749 678 HZ PHE 89 HZ PHE 89 -5.123 -17.499 9.731 679 H TRP 90 H TRP 90 -4.408 -16.131 2.953 680 HA TRP 90 HA TRP 90 -6.021 -18.405 3.640 681 HB2 TRP 90 2HB TRP 90 -7.041 -16.296 2.872 682 HB3 TRP 90 1HB TRP 90 -6.353 -16.573 1.264 683 HD1 TRP 90 HD TRP 90 -7.054 -18.904 0.062 684 HE1 TRP 90 1HE TRP 90 -9.261 -20.196 0.116 685 HE3 TRP 90 3HE TRP 90 -9.141 -16.843 4.231 686 HZ2 TRP 90 2HZ TRP 90 -11.640 -20.332 1.721 687 HZ3 TRP 90 3HZ TRP 90 -11.382 -17.570 5.001 688 HH2 TRP 90 HH TRP 90 -12.633 -19.310 3.753 689 H GLU 91 H GLU 91 -4.101 -17.556 0.853 690 HA GLU 91 HA GLU 91 -4.529 -20.176 -0.375 691 HB2 GLU 91 2HB GLU 91 -3.444 -17.549 -1.344 692 HB3 GLU 91 1HB GLU 91 -3.133 -18.983 -2.240 693 HG2 GLU 91 2HG GLU 91 -5.838 -17.847 -1.481 694 HG3 GLU 91 1HG GLU 91 -5.118 -17.797 -3.084 695 H ASN 92 H ASN 92 -2.833 -21.563 -0.907 696 HA ASN 92 HA ASN 92 -0.725 -21.822 0.905 697 HB2 ASN 92 2HB ASN 92 -1.598 -23.628 -0.592 698 HB3 ASN 92 1HB ASN 92 -0.763 -22.855 -1.938 699 HD21 ASN 92 1HD2 ASN 92 -0.112 -24.219 1.331 700 HD22 ASN 92 2HD2 ASN 92 1.468 -24.719 0.965 701 H SER 93 H SER 93 -0.867 -20.196 -2.222 702 HA SER 93 HA SER 93 1.939 -19.326 -1.892 703 HB2 SER 93 2HB SER 93 1.839 -18.748 -4.279 704 HB3 SER 93 1HB SER 93 1.397 -20.435 -4.028 705 HG SER 93 HG SER 93 -0.232 -18.209 -4.621 706 H1 GLY 1 H GLY 1 3.200 -8.531 14.612 707 HA2 GLY 1 2HA GLY 1 4.825 -7.612 16.073 708 HA3 GLY 1 1HA GLY 1 5.808 -8.162 14.719 709 H SER 2 H SER 2 6.513 -6.651 13.154 710 HA SER 2 HA SER 2 7.224 -4.113 14.162 711 HB2 SER 2 2HB SER 2 7.165 -5.043 11.283 712 HB3 SER 2 1HB SER 2 8.067 -3.671 11.917 713 HG SER 2 HG SER 2 9.368 -5.034 13.031 714 H GLU 3 H GLU 3 6.566 -2.003 13.418 715 HA GLU 3 HA GLU 3 3.778 -1.626 13.366 716 HB2 GLU 3 2HB GLU 3 6.035 0.215 12.563 717 HB3 GLU 3 1HB GLU 3 4.357 0.726 12.708 718 HG2 GLU 3 2HG GLU 3 4.350 -0.023 15.061 719 HG3 GLU 3 1HG GLU 3 6.046 -0.474 14.913 720 H LEU 4 H LEU 4 6.157 -1.762 10.726 721 HA LEU 4 HA LEU 4 4.441 -0.818 8.695 722 HB2 LEU 4 2HB LEU 4 6.983 -1.334 8.652 723 HB3 LEU 4 1HB LEU 4 6.495 -2.987 8.287 724 HG LEU 4 HG LEU 4 5.491 -0.610 6.700 725 HD11 LEU 4 1HD1 LEU 4 7.242 -0.932 5.086 726 HD12 LEU 4 2HD1 LEU 4 7.903 -2.293 5.987 727 HD13 LEU 4 3HD1 LEU 4 7.987 -0.666 6.660 728 HD21 LEU 4 3HD2 LEU 4 5.821 -2.963 5.113 729 HD22 LEU 4 1HD2 LEU 4 4.343 -2.118 5.542 730 HD23 LEU 4 2HD2 LEU 4 4.944 -3.417 6.564 731 H GLU 5 H GLU 5 5.028 -4.040 10.066 732 HA GLU 5 HA GLU 5 3.294 -5.461 8.323 733 HB2 GLU 5 2HB GLU 5 4.254 -6.088 11.121 734 HB3 GLU 5 1HB GLU 5 3.303 -7.201 10.139 735 HG2 GLU 5 2HG GLU 5 5.050 -7.108 8.389 736 HG3 GLU 5 1HG GLU 5 6.011 -6.053 9.421 737 H THR 6 H THR 6 2.815 -3.776 11.395 738 HA THR 6 HA THR 6 0.197 -4.674 11.908 739 HB THR 6 HB THR 6 1.340 -1.932 12.508 740 HG1 THR 6 1HG THR 6 1.316 -4.198 14.190 741 HG21 THR 6 3HG2 THR 6 -0.304 -1.859 14.265 742 HG22 THR 6 1HG2 THR 6 -0.771 -3.534 13.970 743 HG23 THR 6 2HG2 THR 6 -1.147 -2.290 12.777 744 H ALA 7 H ALA 7 1.499 -2.046 9.964 745 HA ALA 7 HA ALA 7 -0.991 -0.902 9.201 746 HB1 ALA 7 1HB ALA 7 1.471 -0.034 8.889 747 HB2 ALA 7 2HB ALA 7 0.238 0.393 7.706 748 HB3 ALA 7 3HB ALA 7 1.378 -0.905 7.361 749 H MET 8 H MET 8 1.110 -3.324 7.664 750 HA MET 8 HA MET 8 -0.433 -3.739 5.333 751 HB2 MET 8 2HB MET 8 1.402 -5.576 6.905 752 HB3 MET 8 1HB MET 8 0.758 -5.968 5.311 753 HG2 MET 8 2HG MET 8 1.809 -3.940 4.378 754 HG3 MET 8 1HG MET 8 2.456 -3.528 5.953 755 HE1 MET 8 3HE MET 8 2.447 -5.651 2.922 756 HE2 MET 8 1HE MET 8 2.253 -7.064 3.969 757 HE3 MET 8 2HE MET 8 3.753 -6.821 3.080 758 H GLU 9 H GLU 9 -0.564 -5.216 8.553 759 HA GLU 9 HA GLU 9 -2.610 -7.087 7.947 760 HB2 GLU 9 2HB GLU 9 -1.757 -5.856 10.575 761 HB3 GLU 9 1HB GLU 9 -2.956 -7.141 10.431 762 HG2 GLU 9 2HG GLU 9 -1.276 -8.564 9.292 763 HG3 GLU 9 1HG GLU 9 -0.077 -7.295 9.496 764 H THR 10 H THR 10 -2.608 -3.708 9.005 765 HA THR 10 HA THR 10 -5.379 -3.566 9.573 766 HB THR 10 HB THR 10 -3.605 -1.368 8.519 767 HG1 THR 10 1HG THR 10 -3.590 -2.729 10.830 768 HG21 THR 10 3HG2 THR 10 -6.123 -1.257 10.206 769 HG22 THR 10 1HG2 THR 10 -6.069 -0.932 8.469 770 HG23 THR 10 2HG2 THR 10 -5.211 0.123 9.595 771 H LEU 11 H LEU 11 -3.510 -3.017 6.565 772 HA LEU 11 HA LEU 11 -5.735 -2.192 5.011 773 HB2 LEU 11 2HB LEU 11 -3.336 -3.765 4.036 774 HB3 LEU 11 1HB LEU 11 -4.403 -2.772 3.054 775 HG LEU 11 HG LEU 11 -2.484 -1.824 5.192 776 HD11 LEU 11 1HD1 LEU 11 -2.632 -1.487 2.196 777 HD12 LEU 11 2HD1 LEU 11 -1.365 -2.286 3.126 778 HD13 LEU 11 3HD1 LEU 11 -1.562 -0.536 3.225 779 HD21 LEU 11 3HD2 LEU 11 -3.249 0.481 4.256 780 HD22 LEU 11 1HD2 LEU 11 -4.267 -0.311 5.454 781 HD23 LEU 11 2HD2 LEU 11 -4.696 -0.377 3.740 782 H ILE 12 H ILE 12 -4.316 -5.358 5.701 783 HA ILE 12 HA ILE 12 -6.075 -6.848 4.044 784 HB ILE 12 HB ILE 12 -4.644 -7.662 6.579 785 HG12 ILE 12 2HG1 ILE 12 -3.959 -8.218 3.681 786 HG13 ILE 12 1HG1 ILE 12 -3.246 -6.904 4.595 787 HG21 ILE 12 1HG2 ILE 12 -6.104 -9.278 4.475 788 HG22 ILE 12 2HG2 ILE 12 -6.471 -9.188 6.198 789 HG23 ILE 12 3HG2 ILE 12 -4.993 -9.980 5.651 790 HD11 ILE 12 3HD1 ILE 12 -3.175 -9.739 5.617 791 HD12 ILE 12 1HD1 ILE 12 -2.137 -8.386 6.068 792 HD13 ILE 12 2HD1 ILE 12 -1.956 -9.147 4.486 793 H ASN 13 H ASN 13 -6.288 -5.930 7.452 794 HA ASN 13 HA ASN 13 -8.656 -7.300 8.056 795 HB2 ASN 13 2HB ASN 13 -7.467 -4.801 9.248 796 HB3 ASN 13 1HB ASN 13 -8.818 -5.687 9.952 797 HD21 ASN 13 1HD2 ASN 13 -6.339 -5.415 11.357 798 HD22 ASN 13 2HD2 ASN 13 -5.610 -6.945 11.455 799 H VAL 14 H VAL 14 -8.218 -3.973 6.794 800 HA VAL 14 HA VAL 14 -11.041 -3.471 7.017 801 HB VAL 14 HB VAL 14 -10.683 -1.357 5.894 802 HG11 VAL 14 1HG1 VAL 14 -10.149 -1.105 8.131 803 HG12 VAL 14 2HG1 VAL 14 -8.639 -0.588 7.385 804 HG13 VAL 14 3HG1 VAL 14 -8.784 -2.215 8.048 805 HG21 VAL 14 3HG2 VAL 14 -8.196 -0.781 5.320 806 HG22 VAL 14 1HG2 VAL 14 -9.151 -1.677 4.136 807 HG23 VAL 14 2HG2 VAL 14 -7.998 -2.517 5.160 808 H PHE 15 H PHE 15 -8.906 -4.442 4.314 809 HA PHE 15 HA PHE 15 -10.925 -4.324 2.323 810 HB2 PHE 15 2HB PHE 15 -8.572 -4.623 1.725 811 HB3 PHE 15 1HB PHE 15 -8.554 -6.200 2.524 812 HD1 PHE 15 1HD PHE 15 -10.320 -4.272 -0.162 813 HD2 PHE 15 2HD PHE 15 -9.226 -8.124 1.387 814 HE1 PHE 15 1HE PHE 15 -11.246 -5.362 -2.183 815 HE2 PHE 15 2HE PHE 15 -10.142 -9.206 -0.643 816 HZ PHE 15 HZ PHE 15 -11.154 -7.822 -2.433 817 H HIS 16 H HIS 16 -9.833 -6.928 4.446 818 HA HIS 16 HA HIS 16 -11.754 -8.824 3.590 819 HB2 HIS 16 2HB HIS 16 -9.691 -9.438 4.847 820 HB3 HIS 16 1HB HIS 16 -10.363 -8.646 6.273 821 HD1 HIS 16 1HD HIS 16 -11.485 -11.322 3.782 822 HD2 HIS 16 2HD HIS 16 -11.794 -10.404 7.837 823 HE1 HIS 16 1HE HIS 16 -12.766 -13.227 4.852 824 HE2 HIS 16 2HE HIS 16 -12.962 -12.683 7.325 825 H ALA 17 H ALA 17 -11.794 -6.270 5.986 826 HA ALA 17 HA ALA 17 -14.082 -7.097 7.354 827 HB1 ALA 17 1HB ALA 17 -12.691 -5.135 8.019 828 HB2 ALA 17 2HB ALA 17 -14.402 -4.735 7.920 829 HB3 ALA 17 3HB ALA 17 -13.309 -4.246 6.620 830 H HIS 18 H HIS 18 -13.794 -4.940 4.489 831 HA HIS 18 HA HIS 18 -16.702 -5.030 4.237 832 HB2 HIS 18 2HB HIS 18 -14.541 -3.653 2.700 833 HB3 HIS 18 1HB HIS 18 -16.188 -3.725 2.067 834 HD1 HIS 18 1HD HIS 18 -17.690 -1.905 2.904 835 HD2 HIS 18 2HD HIS 18 -14.645 -2.733 5.621 836 HE1 HIS 18 1HE HIS 18 -18.044 -0.367 4.886 837 HE2 HIS 18 2HE HIS 18 -16.201 -0.862 6.547 838 H SER 19 H SER 19 -14.067 -6.315 2.089 839 HA SER 19 HA SER 19 -15.852 -7.432 0.243 840 HB2 SER 19 2HB SER 19 -13.396 -7.317 -0.134 841 HB3 SER 19 1HB SER 19 -13.186 -8.619 1.030 842 HG SER 19 HG SER 19 -14.835 -8.776 -1.298 843 H GLY 20 H GLY 20 -14.520 -8.664 3.269 844 HA2 GLY 20 2HA GLY 20 -15.722 -11.247 3.205 845 HA3 GLY 20 1HA GLY 20 -15.032 -10.470 4.595 846 H LYS 21 H LYS 21 -16.636 -8.190 4.755 847 HA LYS 21 HA LYS 21 -18.864 -9.193 6.159 848 HB2 LYS 21 2HB LYS 21 -17.926 -6.983 6.557 849 HB3 LYS 21 1HB LYS 21 -18.495 -6.434 4.983 850 HG2 LYS 21 2HG LYS 21 -20.818 -6.887 5.730 851 HG3 LYS 21 1HG LYS 21 -20.194 -7.401 7.296 852 HD2 LYS 21 2HD LYS 21 -20.851 -5.073 7.471 853 HD3 LYS 21 1HD LYS 21 -19.099 -5.164 7.541 854 HE2 LYS 21 2HE LYS 21 -20.164 -4.901 4.801 855 HE3 LYS 21 1HE LYS 21 -20.519 -3.522 5.842 856 HZ1 LYS 21 3HZ LYS 21 -18.407 -2.892 5.806 857 HZ2 LYS 21 1HZ LYS 21 -18.157 -4.019 4.563 858 HZ3 LYS 21 2HZ LYS 21 -17.843 -4.452 6.176 859 H GLU 22 H GLU 22 -18.694 -7.907 2.818 860 HA GLU 22 HA GLU 22 -21.372 -9.106 2.394 861 HB2 GLU 22 2HB GLU 22 -20.399 -6.466 1.348 862 HB3 GLU 22 1HB GLU 22 -21.871 -7.264 0.796 863 HG2 GLU 22 2HG GLU 22 -22.696 -7.272 3.140 864 HG3 GLU 22 1HG GLU 22 -21.252 -6.399 3.618 865 H GLY 23 H GLY 23 -21.850 -9.895 0.324 866 HA2 GLY 23 2HA GLY 23 -21.415 -11.035 -1.620 867 HA3 GLY 23 1HA GLY 23 -20.291 -9.731 -1.966 868 H ASP 24 H ASP 24 -18.785 -11.053 -2.961 869 HA ASP 24 HA ASP 24 -17.728 -13.412 -1.736 870 HB2 ASP 24 2HB ASP 24 -16.692 -11.684 -3.985 871 HB3 ASP 24 1HB ASP 24 -15.955 -13.204 -3.493 872 H LYS 25 H LYS 25 -15.951 -13.673 -0.505 873 HA LYS 25 HA LYS 25 -15.142 -11.578 1.139 874 HB2 LYS 25 2HB LYS 25 -13.723 -14.196 0.658 875 HB3 LYS 25 1HB LYS 25 -13.472 -13.111 2.036 876 HG2 LYS 25 2HG LYS 25 -15.950 -13.362 2.590 877 HG3 LYS 25 1HG LYS 25 -16.042 -14.620 1.361 878 HD2 LYS 25 2HD LYS 25 -14.145 -14.676 3.731 879 HD3 LYS 25 1HD LYS 25 -15.688 -15.524 3.665 880 HE2 LYS 25 2HE LYS 25 -14.658 -16.457 1.381 881 HE3 LYS 25 1HE LYS 25 -13.142 -16.104 2.212 882 HZ1 LYS 25 3HZ LYS 25 -15.329 -17.640 3.483 883 HZ2 LYS 25 1HZ LYS 25 -13.710 -17.522 3.973 884 HZ3 LYS 25 2HZ LYS 25 -14.107 -18.386 2.565 885 H TYR 26 H TYR 26 -13.699 -12.761 -1.821 886 HA TYR 26 HA TYR 26 -11.428 -10.922 -1.419 887 HB2 TYR 26 2HB TYR 26 -11.760 -13.236 -3.331 888 HB3 TYR 26 1HB TYR 26 -10.324 -12.219 -3.201 889 HD1 TYR 26 2HD TYR 26 -9.053 -12.135 -1.033 890 HD2 TYR 26 1HD TYR 26 -12.192 -14.978 -1.750 891 HE1 TYR 26 2HE TYR 26 -8.240 -13.509 0.863 892 HE2 TYR 26 1HE TYR 26 -11.379 -16.352 0.148 893 HH TYR 26 HH TYR 26 -10.034 -16.325 1.989 894 H LYS 27 H LYS 27 -14.261 -10.211 -2.498 895 HA LYS 27 HA LYS 27 -13.151 -8.726 -4.810 896 HB2 LYS 27 2HB LYS 27 -14.522 -10.822 -5.564 897 HB3 LYS 27 1HB LYS 27 -15.914 -9.885 -5.045 898 HG2 LYS 27 2HG LYS 27 -15.629 -9.430 -7.366 899 HG3 LYS 27 1HG LYS 27 -15.067 -8.006 -6.491 900 HD2 LYS 27 2HD LYS 27 -12.970 -8.220 -7.334 901 HD3 LYS 27 1HD LYS 27 -12.870 -9.901 -6.818 902 HE2 LYS 27 2HE LYS 27 -13.728 -10.704 -8.844 903 HE3 LYS 27 1HE LYS 27 -14.439 -9.155 -9.277 904 HZ1 LYS 27 3HZ LYS 27 -12.423 -9.587 -10.536 905 HZ2 LYS 27 1HZ LYS 27 -11.534 -9.733 -9.100 906 HZ3 LYS 27 2HZ LYS 27 -12.220 -8.238 -9.522 907 H LEU 28 H LEU 28 -13.863 -6.633 -4.920 908 HA LEU 28 HA LEU 28 -15.794 -5.862 -2.820 909 HB2 LEU 28 2HB LEU 28 -13.290 -5.120 -2.880 910 HB3 LEU 28 1HB LEU 28 -13.808 -4.054 -4.140 911 HG LEU 28 HG LEU 28 -15.413 -2.955 -2.646 912 HD11 LEU 28 1HD1 LEU 28 -14.505 -5.091 -0.715 913 HD12 LEU 28 2HD1 LEU 28 -16.120 -4.428 -0.967 914 HD13 LEU 28 3HD1 LEU 28 -14.919 -3.500 -0.089 915 HD21 LEU 28 3HD2 LEU 28 -12.654 -3.165 -1.377 916 HD22 LEU 28 1HD2 LEU 28 -13.754 -1.800 -1.249 917 HD23 LEU 28 2HD2 LEU 28 -13.003 -2.191 -2.802 918 H SER 29 H SER 29 -17.690 -4.983 -3.471 919 HA SER 29 HA SER 29 -18.023 -4.343 -6.325 920 HB2 SER 29 2HB SER 29 -20.400 -4.655 -5.952 921 HB3 SER 29 1HB SER 29 -19.521 -6.049 -5.331 922 HG SER 29 HG SER 29 -20.097 -3.847 -3.678 923 H LYS 30 H LYS 30 -19.600 -2.532 -6.811 924 HA LYS 30 HA LYS 30 -18.600 -0.087 -6.009 925 HB2 LYS 30 2HB LYS 30 -20.128 -0.469 -7.931 926 HB3 LYS 30 1HB LYS 30 -21.456 -0.645 -6.784 927 HG2 LYS 30 2HG LYS 30 -20.927 1.673 -5.917 928 HG3 LYS 30 1HG LYS 30 -19.744 1.818 -7.215 929 HD2 LYS 30 2HD LYS 30 -21.813 2.819 -7.967 930 HD3 LYS 30 1HD LYS 30 -21.573 1.315 -8.859 931 HE2 LYS 30 2HE LYS 30 -23.311 0.246 -7.785 932 HE3 LYS 30 1HE LYS 30 -23.086 1.141 -6.277 933 HZ1 LYS 30 3HZ LYS 30 -24.675 1.801 -8.614 934 HZ2 LYS 30 1HZ LYS 30 -23.798 3.095 -7.957 935 HZ3 LYS 30 2HZ LYS 30 -24.895 2.234 -6.986 936 H LYS 31 H LYS 31 -21.535 -1.688 -4.815 937 HA LYS 31 HA LYS 31 -22.278 0.342 -3.041 938 HB2 LYS 31 2HB LYS 31 -23.725 -1.315 -2.036 939 HB3 LYS 31 1HB LYS 31 -23.700 -1.586 -3.781 940 HG2 LYS 31 2HG LYS 31 -21.892 -3.299 -3.413 941 HG3 LYS 31 1HG LYS 31 -22.149 -3.101 -1.681 942 HD2 LYS 31 2HD LYS 31 -24.509 -3.621 -2.022 943 HD3 LYS 31 1HD LYS 31 -24.164 -4.068 -3.686 944 HE2 LYS 31 2HE LYS 31 -24.016 -6.127 -2.555 945 HE3 LYS 31 1HE LYS 31 -22.335 -5.595 -2.602 946 HZ1 LYS 31 3HZ LYS 31 -23.919 -4.684 -0.339 947 HZ2 LYS 31 1HZ LYS 31 -22.303 -5.192 -0.398 948 HZ3 LYS 31 2HZ LYS 31 -23.552 -6.343 -0.375 949 H GLU 32 H GLU 32 -20.439 -2.658 -2.500 950 HA GLU 32 HA GLU 32 -19.971 -2.261 0.246 951 HB2 GLU 32 2HB GLU 32 -18.229 -3.704 -1.768 952 HB3 GLU 32 1HB GLU 32 -18.086 -3.839 -0.017 953 HG2 GLU 32 2HG GLU 32 -20.435 -4.656 0.074 954 HG3 GLU 32 1HG GLU 32 -20.484 -4.622 -1.679 955 H LEU 33 H LEU 33 -17.756 -1.430 -2.524 956 HA LEU 33 HA LEU 33 -15.796 -0.369 -0.794 957 HB2 LEU 33 2HB LEU 33 -14.930 0.931 -2.744 958 HB3 LEU 33 1HB LEU 33 -15.038 -0.788 -2.976 959 HG LEU 33 HG LEU 33 -17.491 -0.005 -3.923 960 HD11 LEU 33 1HD1 LEU 33 -16.765 2.412 -3.730 961 HD12 LEU 33 2HD1 LEU 33 -17.160 1.928 -5.373 962 HD13 LEU 33 3HD1 LEU 33 -15.478 2.067 -4.889 963 HD21 LEU 33 3HD2 LEU 33 -16.149 -0.129 -6.225 964 HD22 LEU 33 1HD2 LEU 33 -16.288 -1.565 -5.206 965 HD23 LEU 33 2HD2 LEU 33 -14.815 -0.601 -5.183 966 H LYS 34 H LYS 34 -18.673 1.042 -2.221 967 HA LYS 34 HA LYS 34 -18.088 3.694 -1.583 968 HB2 LYS 34 2HB LYS 34 -20.105 2.977 -2.853 969 HB3 LYS 34 1HB LYS 34 -20.772 2.297 -1.371 970 HG2 LYS 34 2HG LYS 34 -21.775 4.442 -1.561 971 HG3 LYS 34 1HG LYS 34 -20.501 4.647 -0.367 972 HD2 LYS 34 2HD LYS 34 -19.018 5.616 -2.041 973 HD3 LYS 34 1HD LYS 34 -20.193 5.285 -3.302 974 HE2 LYS 34 2HE LYS 34 -20.397 7.263 -1.044 975 HE3 LYS 34 1HE LYS 34 -20.472 7.572 -2.778 976 HZ1 LYS 34 3HZ LYS 34 -22.490 5.929 -2.595 977 HZ2 LYS 34 1HZ LYS 34 -22.676 7.585 -2.275 978 HZ3 LYS 34 2HZ LYS 34 -22.518 6.486 -0.989 979 H GLU 35 H GLU 35 -19.196 0.971 0.413 980 HA GLU 35 HA GLU 35 -19.601 2.630 2.738 981 HB2 GLU 35 2HB GLU 35 -19.411 -0.366 2.411 982 HB3 GLU 35 1HB GLU 35 -19.851 0.460 3.907 983 HG2 GLU 35 2HG GLU 35 -21.738 1.557 2.738 984 HG3 GLU 35 1HG GLU 35 -21.329 0.664 1.274 985 H LEU 36 H LEU 36 -16.968 0.469 1.634 986 HA LEU 36 HA LEU 36 -15.483 0.548 4.042 987 HB2 LEU 36 2HB LEU 36 -15.225 -1.017 1.997 988 HB3 LEU 36 1HB LEU 36 -14.233 0.262 1.312 989 HG LEU 36 HG LEU 36 -13.703 -1.204 3.939 990 HD11 LEU 36 1HD1 LEU 36 -12.215 -2.509 2.829 991 HD12 LEU 36 2HD1 LEU 36 -11.747 -1.232 1.714 992 HD13 LEU 36 3HD1 LEU 36 -13.227 -2.137 1.435 993 HD21 LEU 36 3HD2 LEU 36 -11.435 0.055 3.593 994 HD22 LEU 36 1HD2 LEU 36 -12.782 0.890 4.347 995 HD23 LEU 36 2HD2 LEU 36 -12.399 1.184 2.652 996 H LEU 37 H LEU 37 -15.181 2.605 1.073 997 HA LEU 37 HA LEU 37 -12.960 4.031 2.128 998 HB2 LEU 37 2HB LEU 37 -14.961 4.789 0.000 999 HB3 LEU 37 1HB LEU 37 -13.643 5.851 0.482 1000 HG LEU 37 HG LEU 37 -13.259 4.281 -1.546 1001 HD11 LEU 37 1HD1 LEU 37 -10.922 4.116 -1.063 1002 HD12 LEU 37 2HD1 LEU 37 -11.213 4.055 0.674 1003 HD13 LEU 37 3HD1 LEU 37 -11.492 5.551 -0.215 1004 HD21 LEU 37 3HD2 LEU 37 -12.593 2.029 -1.057 1005 HD22 LEU 37 1HD2 LEU 37 -14.171 2.283 -0.334 1006 HD23 LEU 37 2HD2 LEU 37 -12.735 2.305 0.674 1007 H GLN 38 H GLN 38 -16.466 4.689 2.285 1008 HA GLN 38 HA GLN 38 -16.173 7.184 3.592 1009 HB2 GLN 38 2HB GLN 38 -18.478 5.234 3.636 1010 HB3 GLN 38 1HB GLN 38 -18.535 6.858 4.316 1011 HG2 GLN 38 2HG GLN 38 -17.919 7.768 2.065 1012 HG3 GLN 38 1HG GLN 38 -18.041 6.136 1.408 1013 HE21 GLN 38 1HE2 GLN 38 -20.180 5.183 1.234 1014 HE22 GLN 38 2HE2 GLN 38 -21.586 6.112 1.423 1015 H THR 39 H THR 39 -16.447 3.869 4.860 1016 HA THR 39 HA THR 39 -16.641 4.708 7.586 1017 HB THR 39 HB THR 39 -16.180 2.366 8.137 1018 HG1 THR 39 1HG THR 39 -15.395 1.009 6.682 1019 HG21 THR 39 3HG2 THR 39 -18.413 2.395 7.670 1020 HG22 THR 39 1HG2 THR 39 -17.922 1.440 6.272 1021 HG23 THR 39 2HG2 THR 39 -18.188 3.175 6.105 1022 H GLU 40 H GLU 40 -13.924 3.818 5.503 1023 HA GLU 40 HA GLU 40 -12.057 4.199 7.718 1024 HB2 GLU 40 2HB GLU 40 -11.698 3.268 4.874 1025 HB3 GLU 40 1HB GLU 40 -10.361 3.538 5.978 1026 HG2 GLU 40 2HG GLU 40 -12.679 1.659 6.501 1027 HG3 GLU 40 1HG GLU 40 -11.080 1.161 5.960 1028 H LEU 41 H LEU 41 -12.485 5.537 4.420 1029 HA LEU 41 HA LEU 41 -10.856 7.848 5.268 1030 HB2 LEU 41 2HB LEU 41 -11.702 7.096 2.464 1031 HB3 LEU 41 1HB LEU 41 -10.544 8.332 2.920 1032 HG LEU 41 HG LEU 41 -10.236 5.335 3.230 1033 HD11 LEU 41 1HD1 LEU 41 -8.698 5.464 1.508 1034 HD12 LEU 41 2HD1 LEU 41 -8.283 7.141 1.859 1035 HD13 LEU 41 3HD1 LEU 41 -9.786 6.765 1.028 1036 HD21 LEU 41 3HD2 LEU 41 -7.853 6.083 3.977 1037 HD22 LEU 41 1HD2 LEU 41 -9.150 6.115 5.168 1038 HD23 LEU 41 2HD2 LEU 41 -8.624 7.612 4.384 1039 H SER 42 H SER 42 -11.589 9.911 5.183 1040 HA SER 42 HA SER 42 -14.478 10.234 4.616 1041 HB2 SER 42 2HB SER 42 -12.709 11.284 6.761 1042 HB3 SER 42 1HB SER 42 -13.938 12.382 6.140 1043 HG SER 42 HG SER 42 -14.895 11.209 7.742 1044 H GLY 43 H GLY 43 -11.656 12.372 4.915 1045 HA2 GLY 43 2HA GLY 43 -12.539 14.327 3.140 1046 HA3 GLY 43 1HA GLY 43 -10.868 14.075 3.610 1047 H PHE 44 H PHE 44 -10.565 11.422 2.410 1048 HA PHE 44 HA PHE 44 -9.768 12.228 -0.156 1049 HB2 PHE 44 2HB PHE 44 -10.253 9.476 0.981 1050 HB3 PHE 44 1HB PHE 44 -9.557 9.754 -0.614 1051 HD1 PHE 44 1HD PHE 44 -7.375 10.870 -0.868 1052 HD2 PHE 44 2HD PHE 44 -8.969 9.936 3.020 1053 HE1 PHE 44 1HE PHE 44 -5.141 11.232 0.142 1054 HE2 PHE 44 2HE PHE 44 -6.733 10.299 4.018 1055 HZ PHE 44 HZ PHE 44 -4.819 10.946 2.582 1056 H LEU 45 H LEU 45 -12.590 10.174 0.704 1057 HA LEU 45 HA LEU 45 -13.576 10.293 -2.009 1058 HB2 LEU 45 2HB LEU 45 -14.362 8.910 0.476 1059 HB3 LEU 45 1HB LEU 45 -15.728 9.422 -0.507 1060 HG LEU 45 HG LEU 45 -14.825 7.094 -1.017 1061 HD11 LEU 45 1HD1 LEU 45 -16.101 7.673 -2.793 1062 HD12 LEU 45 2HD1 LEU 45 -14.580 7.984 -3.628 1063 HD13 LEU 45 3HD1 LEU 45 -15.454 9.315 -2.858 1064 HD21 LEU 45 3HD2 LEU 45 -12.696 6.759 -1.728 1065 HD22 LEU 45 1HD2 LEU 45 -12.348 8.324 -0.996 1066 HD23 LEU 45 2HD2 LEU 45 -12.684 8.207 -2.727 1067 H ASP 46 H ASP 46 -14.347 11.883 1.015 1068 HA ASP 46 HA ASP 46 -16.661 13.200 0.182 1069 HB2 ASP 46 2HB ASP 46 -15.875 13.015 2.540 1070 HB3 ASP 46 1HB ASP 46 -14.638 14.221 2.185 1071 H ALA 47 H ALA 47 -13.280 14.039 -0.293 1072 HA ALA 47 HA ALA 47 -13.541 16.742 -0.910 1073 HB1 ALA 47 1HB ALA 47 -11.465 16.319 -2.344 1074 HB2 ALA 47 2HB ALA 47 -11.606 14.632 -1.847 1075 HB3 ALA 47 3HB ALA 47 -11.354 15.891 -0.636 1076 H GLN 48 H GLN 48 -14.116 13.918 -2.951 1077 HA GLN 48 HA GLN 48 -14.228 15.304 -5.414 1078 HB2 GLN 48 2HB GLN 48 -15.765 12.809 -4.637 1079 HB3 GLN 48 1HB GLN 48 -15.493 13.407 -6.274 1080 HG2 GLN 48 2HG GLN 48 -13.377 12.416 -4.339 1081 HG3 GLN 48 1HG GLN 48 -13.880 11.659 -5.841 1082 HE21 GLN 48 1HE2 GLN 48 -11.460 13.529 -4.560 1083 HE22 GLN 48 2HE2 GLN 48 -10.935 14.308 -5.978 1084 H LYS 49 H LYS 49 -16.536 14.797 -2.853 1085 HA LYS 49 HA LYS 49 -18.511 15.815 -2.330 1086 HB2 LYS 49 2HB LYS 49 -17.310 17.895 -2.987 1087 HB3 LYS 49 1HB LYS 49 -17.927 17.691 -4.627 1088 HG2 LYS 49 2HG LYS 49 -20.246 17.721 -3.743 1089 HG3 LYS 49 1HG LYS 49 -19.605 18.001 -2.122 1090 HD2 LYS 49 2HD LYS 49 -18.484 20.072 -2.986 1091 HD3 LYS 49 1HD LYS 49 -19.301 19.820 -4.528 1092 HE2 LYS 49 2HE LYS 49 -21.455 20.119 -3.553 1093 HE3 LYS 49 1HE LYS 49 -20.812 19.986 -1.915 1094 HZ1 LYS 49 3HZ LYS 49 -19.479 22.023 -2.436 1095 HZ2 LYS 49 1HZ LYS 49 -21.154 22.267 -2.326 1096 HZ3 LYS 49 2HZ LYS 49 -20.405 22.193 -3.850 1097 H ASP 50 H ASP 50 -17.981 15.054 -5.738 1098 HA ASP 50 HA ASP 50 -20.747 15.085 -6.445 1099 HB2 ASP 50 2HB ASP 50 -18.396 13.718 -7.754 1100 HB3 ASP 50 1HB ASP 50 -20.027 13.781 -8.429 1101 H VAL 51 H VAL 51 -22.222 13.463 -6.582 1102 HA VAL 51 HA VAL 51 -21.939 11.273 -4.750 1103 HB VAL 51 HB VAL 51 -24.193 10.716 -5.289 1104 HG11 VAL 51 1HG1 VAL 51 -24.386 13.657 -5.734 1105 HG12 VAL 51 2HG1 VAL 51 -23.517 13.123 -4.295 1106 HG13 VAL 51 3HG1 VAL 51 -25.194 12.638 -4.543 1107 HG21 VAL 51 3HG2 VAL 51 -23.778 12.405 -7.777 1108 HG22 VAL 51 1HG2 VAL 51 -25.352 11.825 -7.238 1109 HG23 VAL 51 2HG2 VAL 51 -24.101 10.674 -7.702 1110 H ASP 52 H ASP 52 -21.599 11.696 -8.194 1111 HA ASP 52 HA ASP 52 -21.542 8.848 -8.763 1112 HB2 ASP 52 2HB ASP 52 -20.965 11.282 -10.467 1113 HB3 ASP 52 1HB ASP 52 -20.920 9.624 -11.064 1114 H ALA 53 H ALA 53 -19.475 10.837 -7.243 1115 HA ALA 53 HA ALA 53 -16.993 10.523 -8.486 1116 HB1 ALA 53 1HB ALA 53 -16.034 11.016 -6.327 1117 HB2 ALA 53 2HB ALA 53 -17.524 10.549 -5.510 1118 HB3 ALA 53 3HB ALA 53 -17.492 11.992 -6.523 1119 H VAL 54 H VAL 54 -18.754 8.361 -6.281 1120 HA VAL 54 HA VAL 54 -16.671 6.519 -5.839 1121 HB VAL 54 HB VAL 54 -18.905 6.555 -4.663 1122 HG11 VAL 54 1HG1 VAL 54 -19.879 4.990 -7.056 1123 HG12 VAL 54 2HG1 VAL 54 -20.150 6.727 -6.916 1124 HG13 VAL 54 3HG1 VAL 54 -20.827 5.629 -5.713 1125 HG21 VAL 54 3HG2 VAL 54 -19.136 3.952 -4.858 1126 HG22 VAL 54 1HG2 VAL 54 -17.645 4.633 -4.208 1127 HG23 VAL 54 2HG2 VAL 54 -17.711 4.080 -5.884 1128 H ASP 55 H ASP 55 -19.153 6.709 -8.370 1129 HA ASP 55 HA ASP 55 -18.452 4.331 -9.712 1130 HB2 ASP 55 2HB ASP 55 -19.724 6.885 -10.678 1131 HB3 ASP 55 1HB ASP 55 -19.599 5.428 -11.662 1132 H LYS 56 H LYS 56 -17.411 7.701 -10.119 1133 HA LYS 56 HA LYS 56 -15.769 7.269 -12.373 1134 HB2 LYS 56 2HB LYS 56 -15.563 9.330 -10.167 1135 HB3 LYS 56 1HB LYS 56 -14.648 9.381 -11.674 1136 HG2 LYS 56 2HG LYS 56 -16.804 9.360 -12.937 1137 HG3 LYS 56 1HG LYS 56 -17.668 9.441 -11.400 1138 HD2 LYS 56 2HD LYS 56 -16.449 11.560 -10.877 1139 HD3 LYS 56 1HD LYS 56 -15.722 11.498 -12.483 1140 HE2 LYS 56 2HE LYS 56 -17.579 12.871 -12.850 1141 HE3 LYS 56 1HE LYS 56 -18.203 11.285 -13.305 1142 HZ1 LYS 56 3HZ LYS 56 -19.500 12.807 -11.647 1143 HZ2 LYS 56 1HZ LYS 56 -18.432 12.140 -10.510 1144 HZ3 LYS 56 2HZ LYS 56 -19.448 11.124 -11.417 1145 H VAL 57 H VAL 57 -15.109 7.069 -8.901 1146 HA VAL 57 HA VAL 57 -12.314 6.696 -9.135 1147 HB VAL 57 HB VAL 57 -14.257 5.911 -6.959 1148 HG11 VAL 57 1HG1 VAL 57 -12.436 4.515 -6.519 1149 HG12 VAL 57 2HG1 VAL 57 -11.992 5.973 -5.631 1150 HG13 VAL 57 3HG1 VAL 57 -11.273 5.648 -7.208 1151 HG21 VAL 57 3HG2 VAL 57 -12.197 8.112 -6.900 1152 HG22 VAL 57 1HG2 VAL 57 -13.656 7.939 -5.923 1153 HG23 VAL 57 2HG2 VAL 57 -13.781 8.386 -7.626 1154 H MET 58 H MET 58 -14.975 4.330 -8.783 1155 HA MET 58 HA MET 58 -13.255 2.101 -8.704 1156 HB2 MET 58 2HB MET 58 -15.102 0.817 -8.460 1157 HB3 MET 58 1HB MET 58 -15.816 2.376 -8.088 1158 HG2 MET 58 2HG MET 58 -17.350 1.687 -9.637 1159 HG3 MET 58 1HG MET 58 -16.184 2.353 -10.771 1160 HE1 MET 58 3HE MET 58 -16.875 -1.939 -9.479 1161 HE2 MET 58 1HE MET 58 -18.228 -0.982 -10.098 1162 HE3 MET 58 2HE MET 58 -17.315 -0.422 -8.698 1163 H LYS 59 H LYS 59 -14.671 3.734 -11.529 1164 HA LYS 59 HA LYS 59 -14.224 1.655 -13.379 1165 HB2 LYS 59 2HB LYS 59 -14.071 4.622 -13.812 1166 HB3 LYS 59 1HB LYS 59 -14.096 3.400 -15.086 1167 HG2 LYS 59 2HG LYS 59 -16.250 2.659 -13.459 1168 HG3 LYS 59 1HG LYS 59 -16.305 4.421 -13.427 1169 HD2 LYS 59 2HD LYS 59 -16.078 2.767 -15.917 1170 HD3 LYS 59 1HD LYS 59 -17.606 3.413 -15.306 1171 HE2 LYS 59 2HE LYS 59 -16.933 5.666 -15.673 1172 HE3 LYS 59 1HE LYS 59 -15.238 5.218 -15.857 1173 HZ1 LYS 59 3HZ LYS 59 -17.443 4.516 -17.716 1174 HZ2 LYS 59 1HZ LYS 59 -15.831 4.018 -17.884 1175 HZ3 LYS 59 2HZ LYS 59 -16.225 5.668 -17.995 1176 H GLU 60 H GLU 60 -12.055 4.195 -12.172 1177 HA GLU 60 HA GLU 60 -9.865 3.571 -13.868 1178 HB2 GLU 60 2HB GLU 60 -10.088 5.687 -12.584 1179 HB3 GLU 60 1HB GLU 60 -9.811 4.786 -11.097 1180 HG2 GLU 60 2HG GLU 60 -7.620 4.025 -12.002 1181 HG3 GLU 60 1HG GLU 60 -7.890 5.023 -13.427 1182 H LEU 61 H LEU 61 -10.851 2.460 -10.676 1183 HA LEU 61 HA LEU 61 -8.515 0.958 -10.144 1184 HB2 LEU 61 2HB LEU 61 -11.285 0.594 -9.003 1185 HB3 LEU 61 1HB LEU 61 -9.810 -0.089 -8.342 1186 HG LEU 61 HG LEU 61 -10.480 2.854 -8.557 1187 HD11 LEU 61 1HD1 LEU 61 -11.470 1.213 -6.734 1188 HD12 LEU 61 2HD1 LEU 61 -10.885 2.810 -6.278 1189 HD13 LEU 61 3HD1 LEU 61 -9.867 1.394 -6.019 1190 HD21 LEU 61 3HD2 LEU 61 -8.146 2.881 -8.800 1191 HD22 LEU 61 1HD2 LEU 61 -7.936 1.413 -7.834 1192 HD23 LEU 61 2HD2 LEU 61 -8.337 2.932 -7.061 1193 H ASP 62 H ASP 62 -11.534 0.091 -11.750 1194 HA ASP 62 HA ASP 62 -10.914 -2.695 -11.656 1195 HB2 ASP 62 2HB ASP 62 -13.210 -1.707 -12.032 1196 HB3 ASP 62 1HB ASP 62 -12.693 -1.347 -13.679 1197 H GLU 63 H GLU 63 -8.598 -2.360 -12.306 1198 HA GLU 63 HA GLU 63 -7.935 -1.745 -15.022 1199 HB2 GLU 63 2HB GLU 63 -6.220 -1.852 -13.234 1200 HB3 GLU 63 1HB GLU 63 -6.524 -3.581 -13.058 1201 HG2 GLU 63 2HG GLU 63 -5.893 -3.933 -15.410 1202 HG3 GLU 63 1HG GLU 63 -5.557 -2.220 -15.578 1203 H ASN 64 H ASN 64 -8.860 -4.436 -13.189 1204 HA ASN 64 HA ASN 64 -8.573 -6.544 -14.949 1205 HB2 ASN 64 2HB ASN 64 -8.914 -6.684 -12.557 1206 HB3 ASN 64 1HB ASN 64 -10.500 -5.959 -12.717 1207 HD21 ASN 64 1HD2 ASN 64 -8.736 -8.797 -14.104 1208 HD22 ASN 64 2HD2 ASN 64 -10.066 -9.842 -13.963 1209 H GLY 65 H GLY 65 -11.233 -4.236 -14.504 1210 HA2 GLY 65 2HA GLY 65 -12.829 -3.547 -16.036 1211 HA3 GLY 65 1HA GLY 65 -12.166 -4.690 -17.192 1212 H ASP 66 H ASP 66 -13.041 -5.989 -14.097 1213 HA ASP 66 HA ASP 66 -15.183 -7.492 -15.394 1214 HB2 ASP 66 2HB ASP 66 -15.153 -8.858 -13.355 1215 HB3 ASP 66 1HB ASP 66 -13.532 -8.682 -14.024 1216 H GLY 67 H GLY 67 -15.136 -4.564 -13.949 1217 HA2 GLY 67 2HA GLY 67 -17.004 -3.243 -13.439 1218 HA3 GLY 67 1HA GLY 67 -17.982 -4.705 -13.336 1219 H GLU 68 H GLU 68 -15.326 -5.420 -11.650 1220 HA GLU 68 HA GLU 68 -16.385 -4.415 -9.073 1221 HB2 GLU 68 2HB GLU 68 -15.005 -7.042 -9.630 1222 HB3 GLU 68 1HB GLU 68 -15.468 -6.456 -8.044 1223 HG2 GLU 68 2HG GLU 68 -17.227 -7.879 -8.556 1224 HG3 GLU 68 1HG GLU 68 -17.864 -6.311 -9.077 1225 H VAL 69 H VAL 69 -14.782 -4.212 -7.375 1226 HA VAL 69 HA VAL 69 -12.134 -3.500 -8.456 1227 HB VAL 69 HB VAL 69 -13.391 -2.717 -5.818 1228 HG11 VAL 69 1HG1 VAL 69 -10.955 -2.767 -5.717 1229 HG12 VAL 69 2HG1 VAL 69 -11.518 -1.095 -5.732 1230 HG13 VAL 69 3HG1 VAL 69 -10.861 -1.814 -7.201 1231 HG21 VAL 69 3HG2 VAL 69 -13.179 -1.303 -8.464 1232 HG22 VAL 69 1HG2 VAL 69 -13.381 -0.421 -6.950 1233 HG23 VAL 69 2HG2 VAL 69 -14.614 -1.566 -7.469 1234 H ASP 70 H ASP 70 -10.433 -4.772 -7.897 1235 HA ASP 70 HA ASP 70 -11.011 -7.005 -6.061 1236 HB2 ASP 70 2HB ASP 70 -10.207 -7.454 -8.401 1237 HB3 ASP 70 1HB ASP 70 -8.665 -6.749 -7.934 1238 H PHE 71 H PHE 71 -9.327 -7.777 -4.649 1239 HA PHE 71 HA PHE 71 -8.498 -5.958 -2.746 1240 HB2 PHE 71 2HB PHE 71 -8.575 -8.532 -2.723 1241 HB3 PHE 71 1HB PHE 71 -6.994 -8.477 -3.477 1242 HD1 PHE 71 1HD PHE 71 -6.627 -5.706 -1.512 1243 HD2 PHE 71 2HD PHE 71 -7.278 -9.923 -1.052 1244 HE1 PHE 71 1HE PHE 71 -5.568 -5.624 0.717 1245 HE2 PHE 71 2HE PHE 71 -6.228 -9.825 1.179 1246 HZ PHE 71 HZ PHE 71 -5.379 -7.682 2.057 1247 H GLN 72 H GLN 72 -6.646 -7.227 -5.546 1248 HA GLN 72 HA GLN 72 -4.234 -5.841 -4.959 1249 HB2 GLN 72 2HB GLN 72 -5.390 -6.754 -7.611 1250 HB3 GLN 72 1HB GLN 72 -3.740 -6.169 -7.385 1251 HG2 GLN 72 2HG GLN 72 -3.308 -7.965 -5.776 1252 HG3 GLN 72 1HG GLN 72 -4.954 -8.544 -5.935 1253 HE21 GLN 72 1HE2 GLN 72 -2.814 -10.265 -6.501 1254 HE22 GLN 72 2HE2 GLN 72 -2.768 -10.569 -8.165 1255 H GLU 73 H GLU 73 -7.123 -4.923 -6.836 1256 HA GLU 73 HA GLU 73 -6.133 -2.478 -7.863 1257 HB2 GLU 73 2HB GLU 73 -8.958 -3.311 -7.168 1258 HB3 GLU 73 1HB GLU 73 -8.532 -1.927 -8.163 1259 HG2 GLU 73 2HG GLU 73 -7.421 -3.465 -9.781 1260 HG3 GLU 73 1HG GLU 73 -7.940 -4.833 -8.803 1261 H TYR 74 H TYR 74 -7.922 -3.342 -4.964 1262 HA TYR 74 HA TYR 74 -8.298 -0.776 -3.838 1263 HB2 TYR 74 2HB TYR 74 -9.501 -2.858 -3.181 1264 HB3 TYR 74 1HB TYR 74 -8.012 -3.457 -2.456 1265 HD1 TYR 74 1HD TYR 74 -10.705 -0.966 -2.219 1266 HD2 TYR 74 2HD TYR 74 -7.139 -2.511 -0.393 1267 HE1 TYR 74 1HE TYR 74 -11.237 0.262 -0.138 1268 HE2 TYR 74 2HE TYR 74 -7.672 -1.271 1.689 1269 HH TYR 74 HH TYR 74 -10.683 0.608 1.970 1270 H VAL 75 H VAL 75 -5.831 -3.204 -3.563 1271 HA VAL 75 HA VAL 75 -4.291 -2.055 -1.517 1272 HB VAL 75 HB VAL 75 -4.120 -4.408 -3.118 1273 HG11 VAL 75 1HG1 VAL 75 -2.578 -3.450 -4.678 1274 HG12 VAL 75 2HG1 VAL 75 -1.672 -4.499 -3.598 1275 HG13 VAL 75 3HG1 VAL 75 -1.612 -2.764 -3.386 1276 HG21 VAL 75 3HG2 VAL 75 -2.466 -3.354 -0.826 1277 HG22 VAL 75 1HG2 VAL 75 -2.250 -4.970 -1.498 1278 HG23 VAL 75 2HG2 VAL 75 -3.795 -4.519 -0.775 1279 H VAL 76 H VAL 76 -3.992 -1.747 -5.081 1280 HA VAL 76 HA VAL 76 -1.806 0.076 -4.787 1281 HB VAL 76 HB VAL 76 -2.073 0.625 -7.127 1282 HG11 VAL 76 1HG1 VAL 76 -2.730 -2.312 -6.885 1283 HG12 VAL 76 2HG1 VAL 76 -1.194 -1.669 -6.303 1284 HG13 VAL 76 3HG1 VAL 76 -1.624 -1.522 -8.007 1285 HG21 VAL 76 3HG2 VAL 76 -4.623 0.709 -7.018 1286 HG22 VAL 76 1HG2 VAL 76 -4.582 -1.044 -7.133 1287 HG23 VAL 76 2HG2 VAL 76 -3.944 -0.069 -8.446 1288 H LEU 77 H LEU 77 -5.357 0.476 -4.850 1289 HA LEU 77 HA LEU 77 -5.378 3.276 -5.129 1290 HB2 LEU 77 2HB LEU 77 -7.454 2.021 -5.149 1291 HB3 LEU 77 1HB LEU 77 -7.187 1.476 -3.503 1292 HG LEU 77 HG LEU 77 -7.313 3.917 -2.774 1293 HD11 LEU 77 1HD1 LEU 77 -7.097 4.652 -5.366 1294 HD12 LEU 77 2HD1 LEU 77 -7.925 5.626 -4.164 1295 HD13 LEU 77 3HD1 LEU 77 -8.849 4.587 -5.231 1296 HD21 LEU 77 3HD2 LEU 77 -9.875 3.957 -3.210 1297 HD22 LEU 77 1HD2 LEU 77 -9.189 2.629 -2.275 1298 HD23 LEU 77 2HD2 LEU 77 -9.601 2.391 -3.973 1299 H VAL 78 H VAL 78 -5.230 1.387 -2.069 1300 HA VAL 78 HA VAL 78 -5.004 3.772 -0.520 1301 HB VAL 78 HB VAL 78 -4.334 2.377 1.377 1302 HG11 VAL 78 1HG1 VAL 78 -6.682 1.682 -0.327 1303 HG12 VAL 78 2HG1 VAL 78 -6.617 2.460 1.257 1304 HG13 VAL 78 3HG1 VAL 78 -6.373 0.720 1.121 1305 HG21 VAL 78 3HG2 VAL 78 -2.945 0.728 0.084 1306 HG22 VAL 78 1HG2 VAL 78 -4.436 0.010 -0.527 1307 HG23 VAL 78 2HG2 VAL 78 -4.082 -0.021 1.195 1308 H ALA 79 H ALA 79 -2.587 1.625 -1.975 1309 HA ALA 79 HA ALA 79 -0.388 2.817 -0.565 1310 HB1 ALA 79 1HB ALA 79 0.935 1.403 -1.747 1311 HB2 ALA 79 2HB ALA 79 0.081 1.681 -3.269 1312 HB3 ALA 79 3HB ALA 79 -0.602 0.615 -2.054 1313 H ALA 80 H ALA 80 -1.656 3.351 -3.848 1314 HA ALA 80 HA ALA 80 0.184 5.371 -4.548 1315 HB1 ALA 80 1HB ALA 80 -1.060 4.311 -6.291 1316 HB2 ALA 80 2HB ALA 80 -1.588 5.996 -6.249 1317 HB3 ALA 80 3HB ALA 80 -2.602 4.737 -5.542 1318 H LEU 81 H LEU 81 -2.997 5.408 -2.950 1319 HA LEU 81 HA LEU 81 -3.134 8.251 -2.816 1320 HB2 LEU 81 2HB LEU 81 -4.584 6.024 -1.474 1321 HB3 LEU 81 1HB LEU 81 -4.642 7.617 -0.726 1322 HG LEU 81 HG LEU 81 -5.500 8.616 -2.788 1323 HD11 LEU 81 1HD1 LEU 81 -5.884 7.470 -4.803 1324 HD12 LEU 81 2HD1 LEU 81 -5.695 5.893 -4.058 1325 HD13 LEU 81 3HD1 LEU 81 -4.290 6.917 -4.314 1326 HD21 LEU 81 3HD2 LEU 81 -7.697 7.522 -2.905 1327 HD22 LEU 81 1HD2 LEU 81 -7.154 7.628 -1.233 1328 HD23 LEU 81 2HD2 LEU 81 -7.052 6.095 -2.101 1329 H THR 82 H THR 82 -1.585 5.782 -0.790 1330 HA THR 82 HA THR 82 -1.037 7.467 1.426 1331 HB THR 82 HB THR 82 0.656 5.187 0.378 1332 HG1 THR 82 1HG THR 82 -0.642 3.912 1.692 1333 HG21 THR 82 3HG2 THR 82 1.250 6.915 2.411 1334 HG22 THR 82 1HG2 THR 82 1.777 5.234 2.360 1335 HG23 THR 82 2HG2 THR 82 0.338 5.680 3.276 1336 H VAL 83 H VAL 83 0.991 6.674 -1.433 1337 HA VAL 83 HA VAL 83 3.071 8.471 -0.640 1338 HB VAL 83 HB VAL 83 3.501 6.703 -2.312 1339 HG11 VAL 83 1HG1 VAL 83 2.742 6.861 -4.565 1340 HG12 VAL 83 2HG1 VAL 83 2.077 8.472 -4.310 1341 HG13 VAL 83 3HG1 VAL 83 1.325 7.070 -3.573 1342 HG21 VAL 83 3HG2 VAL 83 4.008 9.311 -3.713 1343 HG22 VAL 83 1HG2 VAL 83 5.103 7.952 -3.448 1344 HG23 VAL 83 2HG2 VAL 83 4.716 9.042 -2.117 1345 H ALA 84 H ALA 84 0.184 8.914 -2.631 1346 HA ALA 84 HA ALA 84 0.793 11.556 -3.476 1347 HB1 ALA 84 1HB ALA 84 -0.978 9.982 -4.417 1348 HB2 ALA 84 2HB ALA 84 -1.456 11.668 -4.209 1349 HB3 ALA 84 3HB ALA 84 -1.978 10.452 -3.043 1350 H CYS 85 H CHC 85 -0.561 10.167 -0.591 1351 HA CYS 85 HA CHC 85 -1.675 12.535 0.507 1352 HB2 CYS 85 2HB CHC 85 -2.258 10.242 1.283 1353 HB3 CYS 85 1HB CHC 85 -0.635 10.084 1.952 1354 H ASN 86 H ASN 86 1.399 10.789 1.178 1355 HA ASN 86 HA ASN 86 2.424 12.756 2.918 1356 HB2 ASN 86 2HB ASN 86 3.472 10.512 2.500 1357 HB3 ASN 86 1HB ASN 86 4.052 11.129 0.954 1358 HD21 ASN 86 1HD2 ASN 86 4.175 11.874 4.477 1359 HD22 ASN 86 2HD2 ASN 86 5.712 12.592 4.419 1360 H ASN 87 H ASN 87 2.508 12.457 -0.622 1361 HA ASN 87 HA ASN 87 4.117 14.733 -1.176 1362 HB2 ASN 87 2HB ASN 87 1.839 13.501 -2.749 1363 HB3 ASN 87 1HB ASN 87 2.962 14.705 -3.379 1364 HD21 ASN 87 1HD2 ASN 87 2.779 12.098 -4.547 1365 HD22 ASN 87 2HD2 ASN 87 4.231 11.273 -4.243 1366 H PHE 88 H PHE 88 0.609 14.412 -0.605 1367 HA PHE 88 HA PHE 88 0.134 17.136 -1.218 1368 HB2 PHE 88 2HB PHE 88 -1.683 15.433 -1.048 1369 HB3 PHE 88 1HB PHE 88 -1.435 15.364 0.696 1370 HD1 PHE 88 1HD PHE 88 -2.505 17.525 -2.118 1371 HD2 PHE 88 2HD PHE 88 -2.208 17.122 2.148 1372 HE1 PHE 88 1HE PHE 88 -3.975 19.502 -1.828 1373 HE2 PHE 88 2HE PHE 88 -3.676 19.099 2.438 1374 HZ PHE 88 HZ PHE 88 -4.561 20.289 0.450 1375 H PHE 89 H PHE 89 1.007 15.488 1.823 1376 HA PHE 89 HA PHE 89 0.667 17.745 3.488 1377 HB2 PHE 89 2HB PHE 89 0.892 15.418 4.308 1378 HB3 PHE 89 1HB PHE 89 2.595 15.447 3.856 1379 HD1 PHE 89 2HD PHE 89 0.040 16.917 6.099 1380 HD2 PHE 89 1HD PHE 89 4.223 16.662 5.154 1381 HE1 PHE 89 2HE PHE 89 0.594 18.015 8.253 1382 HE2 PHE 89 1HE PHE 89 4.776 17.759 7.309 1383 HZ PHE 89 HZ PHE 89 2.962 18.435 8.858 1384 H TRP 90 H TRP 90 3.802 16.394 2.267 1385 HA TRP 90 HA TRP 90 5.240 18.743 3.076 1386 HB2 TRP 90 2HB TRP 90 6.385 16.581 2.774 1387 HB3 TRP 90 1HB TRP 90 6.086 16.688 1.033 1388 HD1 TRP 90 HD TRP 90 7.070 18.897 -0.202 1389 HE1 TRP 90 1HE TRP 90 9.221 20.214 0.226 1390 HE3 TRP 90 3HE TRP 90 8.124 17.284 4.517 1391 HZ2 TRP 90 2HZ TRP 90 11.171 20.535 2.312 1392 HZ3 TRP 90 3HZ TRP 90 10.137 18.109 5.704 1393 HH2 TRP 90 HH TRP 90 11.660 19.731 4.609 1394 H GLU 91 H GLU 91 4.000 17.600 0.022 1395 HA GLU 91 HA GLU 91 4.727 20.090 -1.329 1396 HB2 GLU 91 2HB GLU 91 3.864 17.366 -2.256 1397 HB3 GLU 91 1HB GLU 91 3.782 18.701 -3.337 1398 HG2 GLU 91 2HG GLU 91 6.228 17.678 -1.869 1399 HG3 GLU 91 1HG GLU 91 5.894 17.461 -3.581 1400 H ASN 92 H ASN 92 3.214 21.398 -2.372 1401 HA ASN 92 HA ASN 92 0.751 21.811 -1.124 1402 HB2 ASN 92 2HB ASN 92 1.964 23.470 -2.553 1403 HB3 ASN 92 1HB ASN 92 1.451 22.556 -3.971 1404 HD21 ASN 92 1HD2 ASN 92 0.083 24.232 -1.089 1405 HD22 ASN 92 2HD2 ASN 92 -1.365 24.675 -1.855 1406 H SER 93 H SER 93 1.585 19.884 -3.959 1407 HA SER 93 HA SER 93 -1.231 19.019 -4.195 1408 HB2 SER 93 2HB SER 93 -0.595 18.207 -6.426 1409 HB3 SER 93 1HB SER 93 -0.201 19.916 -6.250 1410 HG SER 93 HG SER 93 1.494 17.663 -6.230 1411 H1 HCS 201 1HT CHC 85 2.532 -14.726 9.638 1412 H2 HCS 201 2HT CHC 85 1.565 -14.121 8.379 1413 H HCS 201 3HT CHC 85 2.999 -13.321 8.811 1414 HCA HCS 201 HH CHC 85 2.735 -15.972 7.512 1415 HB2 HCS 201 1HZ CHC 85 3.955 -14.911 5.697 1416 HB3 HCS 201 2HZ CHC 85 4.164 -13.440 6.649 1417 HG2 HCS 201 1HE CHC 85 1.674 -13.199 6.723 1418 HG3 HCS 201 2HE CHC 85 1.540 -14.598 5.658 1419 H1 HCS 201 1HT CHC 85 -4.500 15.580 7.292 1420 H2 HCS 201 2HT CHC 85 -3.278 14.865 6.353 1421 H HCS 201 3HT CHC 85 -4.783 14.094 6.523 1422 HCA HCS 201 HH CHC 85 -4.196 16.607 5.061 1423 HB2 HCS 201 1HZ CHC 85 -4.982 15.356 3.131 1424 HB3 HCS 201 2HZ CHC 85 -5.420 13.985 4.150 1425 HG2 HCS 201 1HE CHC 85 -3.015 13.781 4.818 1426 HG3 HCS 201 2HE CHC 85 -2.625 15.068 3.677 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -14.184 4.950 11.996 2 HA2 GLY 1 2HA GLY 1 -12.146 2.927 12.463 3 HA3 GLY 1 1HA GLY 1 -13.162 3.075 11.032 4 H SER 2 H SER 2 -10.756 5.137 12.671 5 HA SER 2 HA SER 2 -9.738 6.071 10.121 6 HB2 SER 2 2HB SER 2 -8.913 6.646 12.972 7 HB3 SER 2 1HB SER 2 -8.175 7.395 11.558 8 HG SER 2 HG SER 2 -9.958 8.575 12.568 9 H GLU 3 H GLU 3 -9.372 3.212 11.470 10 HA GLU 3 HA GLU 3 -6.634 2.824 11.918 11 HB2 GLU 3 2HB GLU 3 -8.736 0.916 10.898 12 HB3 GLU 3 1HB GLU 3 -7.118 0.426 11.392 13 HG2 GLU 3 2HG GLU 3 -7.522 1.401 13.625 14 HG3 GLU 3 1HG GLU 3 -9.159 1.831 13.133 15 H LEU 4 H LEU 4 -8.463 2.687 8.849 16 HA LEU 4 HA LEU 4 -6.346 1.568 7.341 17 HB2 LEU 4 2HB LEU 4 -8.822 2.001 6.694 18 HB3 LEU 4 1HB LEU 4 -8.273 3.618 6.260 19 HG LEU 4 HG LEU 4 -6.952 1.101 5.210 20 HD11 LEU 4 1HD1 LEU 4 -9.358 1.090 4.607 21 HD12 LEU 4 2HD1 LEU 4 -8.296 1.247 3.210 22 HD13 LEU 4 3HD1 LEU 4 -9.148 2.658 3.826 23 HD21 LEU 4 3HD2 LEU 4 -6.860 3.217 3.321 24 HD22 LEU 4 1HD2 LEU 4 -5.537 2.507 4.233 25 HD23 LEU 4 2HD2 LEU 4 -6.394 3.907 4.868 26 H GLU 5 H GLU 5 -7.231 4.895 8.200 27 HA GLU 5 HA GLU 5 -5.166 6.181 6.731 28 HB2 GLU 5 2HB GLU 5 -6.704 7.067 9.180 29 HB3 GLU 5 1HB GLU 5 -5.575 8.097 8.302 30 HG2 GLU 5 2HG GLU 5 -6.919 7.775 6.247 31 HG3 GLU 5 1HG GLU 5 -8.068 6.808 7.167 32 H THR 6 H THR 6 -5.367 4.830 9.993 33 HA THR 6 HA THR 6 -2.933 5.848 10.972 34 HB THR 6 HB THR 6 -4.162 3.145 11.584 35 HG1 THR 6 1HG THR 6 -4.852 4.653 13.452 36 HG21 THR 6 3HG2 THR 6 -2.063 4.875 12.856 37 HG22 THR 6 1HG2 THR 6 -2.060 3.131 12.592 38 HG23 THR 6 2HG2 THR 6 -3.059 3.828 13.868 39 H ALA 7 H ALA 7 -3.747 2.999 9.073 40 HA ALA 7 HA ALA 7 -1.137 1.871 9.002 41 HB1 ALA 7 1HB ALA 7 -1.986 0.394 7.410 42 HB2 ALA 7 2HB ALA 7 -3.058 1.606 6.714 43 HB3 ALA 7 3HB ALA 7 -3.447 0.876 8.268 44 H MET 8 H MET 8 -2.876 4.049 6.782 45 HA MET 8 HA MET 8 -0.852 4.267 4.817 46 HB2 MET 8 2HB MET 8 -2.991 6.213 5.742 47 HB3 MET 8 1HB MET 8 -2.013 6.449 4.295 48 HG2 MET 8 2HG MET 8 -2.839 4.312 3.377 49 HG3 MET 8 1HG MET 8 -3.816 4.054 4.809 50 HE1 MET 8 3HE MET 8 -3.168 7.361 2.549 51 HE2 MET 8 1HE MET 8 -4.460 7.015 1.394 52 HE3 MET 8 2HE MET 8 -3.155 5.858 1.628 53 H GLU 9 H GLU 9 -1.459 6.077 7.798 54 HA GLU 9 HA GLU 9 0.666 7.928 7.480 55 HB2 GLU 9 2HB GLU 9 -0.776 6.964 9.956 56 HB3 GLU 9 1HB GLU 9 0.419 8.260 9.955 57 HG2 GLU 9 2HG GLU 9 -0.951 9.504 8.306 58 HG3 GLU 9 1HG GLU 9 -2.162 8.230 8.363 59 H THR 10 H THR 10 0.451 4.655 8.846 60 HA THR 10 HA THR 10 2.998 4.703 10.081 61 HB THR 10 HB THR 10 1.540 2.340 8.909 62 HG1 THR 10 1HG THR 10 1.331 3.747 11.329 63 HG21 THR 10 3HG2 THR 10 3.947 1.975 9.463 64 HG22 THR 10 1HG2 THR 10 2.866 1.039 10.500 65 HG23 THR 10 2HG2 THR 10 3.616 2.512 11.113 66 H LEU 11 H LEU 11 1.899 3.755 6.811 67 HA LEU 11 HA LEU 11 4.441 2.857 5.927 68 HB2 LEU 11 2HB LEU 11 2.332 4.223 4.238 69 HB3 LEU 11 1HB LEU 11 3.604 3.155 3.662 70 HG LEU 11 HG LEU 11 1.230 2.410 5.378 71 HD11 LEU 11 1HD1 LEU 11 0.525 2.474 3.151 72 HD12 LEU 11 2HD1 LEU 11 0.969 0.783 3.380 73 HD13 LEU 11 3HD1 LEU 11 2.071 1.879 2.546 74 HD21 LEU 11 3HD2 LEU 11 2.215 0.041 4.972 75 HD22 LEU 11 1HD2 LEU 11 2.889 1.027 6.269 76 HD23 LEU 11 2HD2 LEU 11 3.738 0.885 4.719 77 H ILE 12 H ILE 12 2.851 6.018 5.893 78 HA ILE 12 HA ILE 12 4.934 7.385 4.533 79 HB ILE 12 HB ILE 12 2.928 8.411 6.548 80 HG12 ILE 12 2HG1 ILE 12 2.961 8.637 3.528 81 HG13 ILE 12 1HG1 ILE 12 2.078 7.383 4.377 82 HG21 ILE 12 1HG2 ILE 12 3.475 10.616 5.340 83 HG22 ILE 12 2HG2 ILE 12 4.931 9.801 4.769 84 HG23 ILE 12 3HG2 ILE 12 4.665 10.019 6.498 85 HD11 ILE 12 3HD1 ILE 12 0.563 8.910 5.304 86 HD12 ILE 12 1HD1 ILE 12 0.855 9.609 3.710 87 HD13 ILE 12 2HD1 ILE 12 1.678 10.265 5.128 88 H ASN 13 H ASN 13 4.356 6.859 7.990 89 HA ASN 13 HA ASN 13 6.499 8.387 8.951 90 HB2 ASN 13 2HB ASN 13 5.107 5.989 10.132 91 HB3 ASN 13 1HB ASN 13 6.244 7.008 11.014 92 HD21 ASN 13 1HD2 ASN 13 3.513 6.788 11.838 93 HD22 ASN 13 2HD2 ASN 13 2.755 8.285 11.582 94 H VAL 14 H VAL 14 6.417 4.910 8.059 95 HA VAL 14 HA VAL 14 9.116 4.558 8.970 96 HB VAL 14 HB VAL 14 9.050 2.320 8.056 97 HG11 VAL 14 1HG1 VAL 14 7.380 1.460 9.464 98 HG12 VAL 14 2HG1 VAL 14 6.278 2.795 9.132 99 HG13 VAL 14 3HG1 VAL 14 7.696 3.055 10.145 100 HG21 VAL 14 3HG2 VAL 14 7.986 2.432 5.944 101 HG22 VAL 14 1HG2 VAL 14 6.587 3.276 6.592 102 HG23 VAL 14 2HG2 VAL 14 6.817 1.574 6.955 103 H PHE 15 H PHE 15 7.643 5.149 5.770 104 HA PHE 15 HA PHE 15 10.054 4.909 4.297 105 HB2 PHE 15 2HB PHE 15 7.874 5.024 3.186 106 HB3 PHE 15 1HB PHE 15 7.666 6.686 3.749 107 HD1 PHE 15 1HD PHE 15 10.034 4.517 1.818 108 HD2 PHE 15 2HD PHE 15 8.503 8.468 2.502 109 HE1 PHE 15 1HE PHE 15 11.362 5.371 -0.088 110 HE2 PHE 15 2HE PHE 15 9.821 9.313 0.586 111 HZ PHE 15 HZ PHE 15 11.256 7.765 -0.714 112 H HIS 16 H HIS 16 8.477 7.665 5.841 113 HA HIS 16 HA HIS 16 10.499 9.547 5.209 114 HB2 HIS 16 2HB HIS 16 8.209 10.201 5.938 115 HB3 HIS 16 1HB HIS 16 8.570 9.569 7.544 116 HD1 HIS 16 1HD HIS 16 10.082 10.967 9.067 117 HD2 HIS 16 2HD HIS 16 9.685 12.583 5.245 118 HE1 HIS 16 1HE HIS 16 11.098 13.285 9.161 119 HE2 HIS 16 2HE HIS 16 10.865 14.283 6.837 120 H ALA 17 H ALA 17 10.077 7.234 7.806 121 HA ALA 17 HA ALA 17 12.007 8.264 9.539 122 HB1 ALA 17 1HB ALA 17 10.489 6.255 9.950 123 HB2 ALA 17 2HB ALA 17 12.162 6.053 10.464 124 HB3 ALA 17 3HB ALA 17 11.608 5.308 8.956 125 H HIS 18 H HIS 18 12.362 5.852 6.907 126 HA HIS 18 HA HIS 18 15.254 5.993 7.236 127 HB2 HIS 18 2HB HIS 18 13.453 4.482 5.392 128 HB3 HIS 18 1HB HIS 18 15.201 4.495 5.150 129 HD1 HIS 18 1HD HIS 18 12.728 3.871 7.998 130 HD2 HIS 18 2HD HIS 18 16.537 2.711 6.779 131 HE1 HIS 18 1HE HIS 18 13.529 2.162 9.687 132 HE2 HIS 18 2HE HIS 18 15.852 1.441 8.956 133 H SER 19 H SER 19 13.118 7.012 4.483 134 HA SER 19 HA SER 19 15.240 8.012 2.956 135 HB2 SER 19 2HB SER 19 12.927 7.768 2.079 136 HB3 SER 19 1HB SER 19 12.441 9.154 3.045 137 HG SER 19 HG SER 19 13.270 9.337 0.661 138 H GLY 20 H GLY 20 13.278 9.476 5.497 139 HA2 GLY 20 2HA GLY 20 14.434 12.080 5.431 140 HA3 GLY 20 1HA GLY 20 13.475 11.414 6.717 141 H LYS 21 H LYS 21 15.039 9.211 7.425 142 HA LYS 21 HA LYS 21 16.911 10.412 9.161 143 HB2 LYS 21 2HB LYS 21 15.939 8.210 9.555 144 HB3 LYS 21 1HB LYS 21 16.844 7.545 8.198 145 HG2 LYS 21 2HG LYS 21 18.941 8.153 9.384 146 HG3 LYS 21 1HG LYS 21 17.981 8.768 10.725 147 HD2 LYS 21 2HD LYS 21 18.628 6.488 11.241 148 HD3 LYS 21 1HD LYS 21 16.900 6.518 10.921 149 HE2 LYS 21 2HE LYS 21 18.557 6.072 8.515 150 HE3 LYS 21 1HE LYS 21 18.678 4.792 9.725 151 HZ1 LYS 21 3HZ LYS 21 16.748 4.890 7.924 152 HZ2 LYS 21 1HZ LYS 21 16.007 5.794 9.154 153 HZ3 LYS 21 2HZ LYS 21 16.533 4.208 9.465 154 H GLU 22 H GLU 22 17.454 8.822 5.996 155 HA GLU 22 HA GLU 22 20.143 10.072 5.999 156 HB2 GLU 22 2HB GLU 22 19.437 7.305 5.071 157 HB3 GLU 22 1HB GLU 22 20.976 8.089 4.727 158 HG2 GLU 22 2HG GLU 22 19.850 7.555 7.475 159 HG3 GLU 22 1HG GLU 22 21.111 6.608 6.707 160 H GLY 23 H GLY 23 21.006 10.688 4.001 161 HA2 GLY 23 2HA GLY 23 20.951 11.598 1.893 162 HA3 GLY 23 1HA GLY 23 19.934 10.227 1.476 163 H ASP 24 H ASP 24 18.659 11.417 0.066 164 HA ASP 24 HA ASP 24 17.331 13.835 0.827 165 HB2 ASP 24 2HB ASP 24 16.822 11.884 -1.417 166 HB3 ASP 24 1HB ASP 24 15.966 13.409 -1.231 167 H LYS 25 H LYS 25 15.326 14.142 1.618 168 HA LYS 25 HA LYS 25 14.236 12.190 3.274 169 HB2 LYS 25 2HB LYS 25 12.898 14.689 2.246 170 HB3 LYS 25 1HB LYS 25 12.391 13.735 3.651 171 HG2 LYS 25 2HG LYS 25 14.702 14.137 4.660 172 HG3 LYS 25 1HG LYS 25 15.013 15.274 3.353 173 HD2 LYS 25 2HD LYS 25 12.678 15.479 5.281 174 HD3 LYS 25 1HD LYS 25 14.184 16.380 5.434 175 HE2 LYS 25 2HE LYS 25 13.619 17.050 2.912 176 HE3 LYS 25 1HE LYS 25 11.973 16.706 3.448 177 HZ1 LYS 25 3HZ LYS 25 13.705 18.362 5.141 178 HZ2 LYS 25 1HZ LYS 25 12.016 18.386 4.974 179 HZ3 LYS 25 2HZ LYS 25 12.998 19.060 3.762 180 H TYR 26 H TYR 26 13.375 13.005 -0.028 181 HA TYR 26 HA TYR 26 11.111 11.119 0.145 182 HB2 TYR 26 2HB TYR 26 11.720 13.254 -1.900 183 HB3 TYR 26 1HB TYR 26 10.301 12.202 -1.907 184 HD1 TYR 26 2HD TYR 26 8.707 12.259 0.040 185 HD2 TYR 26 1HD TYR 26 11.838 15.156 -0.466 186 HE1 TYR 26 2HE TYR 26 7.578 13.763 1.652 187 HE2 TYR 26 1HE TYR 26 10.707 16.659 1.150 188 HH TYR 26 HH TYR 26 8.767 15.922 3.283 189 H LYS 27 H LYS 27 14.108 10.452 -0.345 190 HA LYS 27 HA LYS 27 13.484 8.682 -2.616 191 HB2 LYS 27 2HB LYS 27 14.719 10.797 -3.417 192 HB3 LYS 27 1HB LYS 27 16.111 10.142 -2.576 193 HG2 LYS 27 2HG LYS 27 16.341 9.427 -4.792 194 HG3 LYS 27 1HG LYS 27 15.741 8.032 -3.905 195 HD2 LYS 27 2HD LYS 27 13.508 8.368 -4.783 196 HD3 LYS 27 1HD LYS 27 13.959 9.900 -5.499 197 HE2 LYS 27 2HE LYS 27 15.730 8.530 -6.800 198 HE3 LYS 27 1HE LYS 27 14.785 7.123 -6.315 199 HZ1 LYS 27 3HZ LYS 27 14.072 9.309 -8.123 200 HZ2 LYS 27 1HZ LYS 27 12.832 8.617 -7.196 201 HZ3 LYS 27 2HZ LYS 27 13.746 7.646 -8.250 202 H LEU 28 H LEU 28 14.546 6.643 -2.500 203 HA LEU 28 HA LEU 28 15.922 6.239 0.085 204 HB2 LEU 28 2HB LEU 28 13.541 5.359 -0.446 205 HB3 LEU 28 1HB LEU 28 14.350 4.203 -1.443 206 HG LEU 28 HG LEU 28 15.565 3.271 0.466 207 HD11 LEU 28 1HD1 LEU 28 14.282 5.580 1.950 208 HD12 LEU 28 2HD1 LEU 28 15.928 4.956 2.077 209 HD13 LEU 28 3HD1 LEU 28 14.597 4.070 2.797 210 HD21 LEU 28 3HD2 LEU 28 13.258 2.446 -0.079 211 HD22 LEU 28 1HD2 LEU 28 12.598 3.613 1.065 212 HD23 LEU 28 2HD2 LEU 28 13.616 2.309 1.647 213 H SER 29 H SER 29 17.902 5.318 0.092 214 HA SER 29 HA SER 29 19.058 4.469 -2.472 215 HB2 SER 29 2HB SER 29 20.241 6.237 -1.214 216 HB3 SER 29 1HB SER 29 20.430 5.127 0.135 217 HG SER 29 HG SER 29 21.881 5.342 -2.119 218 H LYS 30 H LYS 30 20.465 2.567 -2.518 219 HA LYS 30 HA LYS 30 19.234 0.250 -1.671 220 HB2 LYS 30 2HB LYS 30 21.100 0.371 -3.320 221 HB3 LYS 30 1HB LYS 30 22.208 0.597 -1.967 222 HG2 LYS 30 2HG LYS 30 21.367 -1.573 -0.996 223 HG3 LYS 30 1HG LYS 30 20.423 -1.800 -2.466 224 HD2 LYS 30 2HD LYS 30 22.489 -3.001 -2.753 225 HD3 LYS 30 1HD LYS 30 22.565 -1.565 -3.779 226 HE2 LYS 30 2HE LYS 30 24.225 -0.600 -2.531 227 HE3 LYS 30 1HE LYS 30 23.566 -1.177 -0.993 228 HZ1 LYS 30 3HZ LYS 30 24.363 -3.433 -2.362 229 HZ2 LYS 30 1HZ LYS 30 25.145 -2.713 -1.041 230 HZ3 LYS 30 2HZ LYS 30 25.608 -2.307 -2.625 231 H LYS 31 H LYS 31 21.913 1.968 -0.146 232 HA LYS 31 HA LYS 31 22.347 0.159 1.930 233 HB2 LYS 31 2HB LYS 31 23.534 1.977 3.006 234 HB3 LYS 31 1HB LYS 31 23.817 2.088 1.266 235 HG2 LYS 31 2HG LYS 31 21.905 3.733 1.139 236 HG3 LYS 31 1HG LYS 31 21.857 3.710 2.901 237 HD2 LYS 31 2HD LYS 31 24.230 4.313 2.917 238 HD3 LYS 31 1HD LYS 31 24.155 4.597 1.185 239 HE2 LYS 31 2HE LYS 31 22.346 5.939 3.217 240 HE3 LYS 31 1HE LYS 31 23.821 6.674 2.586 241 HZ1 LYS 31 3HZ LYS 31 21.253 6.315 1.318 242 HZ2 LYS 31 1HZ LYS 31 22.573 5.896 0.340 243 HZ3 LYS 31 2HZ LYS 31 22.472 7.456 1.005 244 H GLU 32 H GLU 32 20.363 3.109 1.784 245 HA GLU 32 HA GLU 32 19.362 2.997 4.414 246 HB2 GLU 32 2HB GLU 32 18.046 4.131 1.933 247 HB3 GLU 32 1HB GLU 32 17.545 4.459 3.591 248 HG2 GLU 32 2HG GLU 32 19.812 5.378 4.054 249 HG3 GLU 32 1HG GLU 32 20.222 5.144 2.365 250 H LEU 33 H LEU 33 17.790 1.776 1.369 251 HA LEU 33 HA LEU 33 15.533 0.844 2.783 252 HB2 LEU 33 2HB LEU 33 15.084 -0.675 0.852 253 HB3 LEU 33 1HB LEU 33 15.214 1.020 0.475 254 HG LEU 33 HG LEU 33 17.803 0.257 0.087 255 HD11 LEU 33 1HD1 LEU 33 17.788 -1.832 -1.207 256 HD12 LEU 33 2HD1 LEU 33 16.066 -2.031 -0.931 257 HD13 LEU 33 3HD1 LEU 33 17.200 -2.155 0.421 258 HD21 LEU 33 3HD2 LEU 33 16.830 1.587 -1.582 259 HD22 LEU 33 1HD2 LEU 33 15.398 0.567 -1.704 260 HD23 LEU 33 2HD2 LEU 33 16.907 0.034 -2.425 261 H LYS 34 H LYS 34 18.671 -0.605 2.172 262 HA LYS 34 HA LYS 34 18.004 -3.206 2.963 263 HB2 LYS 34 2HB LYS 34 20.263 -2.532 2.139 264 HB3 LYS 34 1HB LYS 34 20.531 -1.668 3.648 265 HG2 LYS 34 2HG LYS 34 21.592 -3.763 3.969 266 HG3 LYS 34 1HG LYS 34 20.059 -3.915 4.822 267 HD2 LYS 34 2HD LYS 34 19.083 -5.120 2.930 268 HD3 LYS 34 1HD LYS 34 20.550 -4.872 1.992 269 HE2 LYS 34 2HE LYS 34 19.957 -6.965 3.894 270 HE3 LYS 34 1HE LYS 34 21.370 -6.801 2.854 271 HZ1 LYS 34 3HZ LYS 34 21.062 -5.313 5.400 272 HZ2 LYS 34 1HZ LYS 34 22.468 -5.504 4.469 273 HZ3 LYS 34 2HZ LYS 34 21.817 -6.833 5.303 274 H GLU 35 H GLU 35 18.580 -0.229 4.814 275 HA GLU 35 HA GLU 35 18.445 -1.571 7.357 276 HB2 GLU 35 2HB GLU 35 18.303 1.337 6.582 277 HB3 GLU 35 1HB GLU 35 18.314 0.760 8.250 278 HG2 GLU 35 2HG GLU 35 20.466 -0.399 7.802 279 HG3 GLU 35 1HG GLU 35 20.461 0.261 6.167 280 H LEU 36 H LEU 36 16.098 0.293 5.390 281 HA LEU 36 HA LEU 36 14.110 0.407 7.409 282 HB2 LEU 36 2HB LEU 36 14.257 1.707 5.177 283 HB3 LEU 36 1HB LEU 36 13.466 0.303 4.470 284 HG LEU 36 HG LEU 36 12.367 1.972 6.776 285 HD11 LEU 36 1HD1 LEU 36 10.929 1.811 4.192 286 HD12 LEU 36 2HD1 LEU 36 12.434 2.719 4.161 287 HD13 LEU 36 3HD1 LEU 36 11.153 3.171 5.286 288 HD21 LEU 36 3HD2 LEU 36 11.366 -0.082 7.138 289 HD22 LEU 36 1HD2 LEU 36 11.430 -0.550 5.441 290 HD23 LEU 36 2HD2 LEU 36 10.238 0.620 5.992 291 H LEU 37 H LEU 37 14.517 -1.971 4.709 292 HA LEU 37 HA LEU 37 12.158 -3.387 5.407 293 HB2 LEU 37 2HB LEU 37 14.616 -4.267 3.894 294 HB3 LEU 37 1HB LEU 37 13.250 -5.338 4.182 295 HG LEU 37 HG LEU 37 13.298 -4.031 1.951 296 HD11 LEU 37 1HD1 LEU 37 10.799 -3.592 3.597 297 HD12 LEU 37 2HD1 LEU 37 11.288 -5.191 3.042 298 HD13 LEU 37 3HD1 LEU 37 10.921 -3.928 1.871 299 HD21 LEU 37 3HD2 LEU 37 12.272 -1.829 3.741 300 HD22 LEU 37 1HD2 LEU 37 12.508 -1.764 2.000 301 HD23 LEU 37 2HD2 LEU 37 13.894 -1.869 3.073 302 H GLN 38 H GLN 38 15.546 -3.841 6.383 303 HA GLN 38 HA GLN 38 15.081 -6.184 7.896 304 HB2 GLN 38 2HB GLN 38 17.243 -4.089 8.115 305 HB3 GLN 38 1HB GLN 38 17.245 -5.611 9.006 306 HG2 GLN 38 2HG GLN 38 17.108 -6.843 6.850 307 HG3 GLN 38 1HG GLN 38 17.205 -5.312 5.989 308 HE21 GLN 38 1HE2 GLN 38 19.081 -4.853 8.683 309 HE22 GLN 38 2HE2 GLN 38 20.587 -5.332 8.065 310 H THR 39 H THR 39 14.960 -2.741 8.791 311 HA THR 39 HA THR 39 14.622 -3.269 11.579 312 HB THR 39 HB THR 39 13.986 -0.913 11.750 313 HG1 THR 39 1HG THR 39 13.351 0.187 10.061 314 HG21 THR 39 3HG2 THR 39 16.257 -0.793 11.708 315 HG22 THR 39 1HG2 THR 39 16.023 -0.125 10.095 316 HG23 THR 39 2HG2 THR 39 16.389 -1.838 10.295 317 H GLU 40 H GLU 40 12.366 -2.755 8.898 318 HA GLU 40 HA GLU 40 10.100 -3.022 10.719 319 HB2 GLU 40 2HB GLU 40 10.267 -2.404 7.776 320 HB3 GLU 40 1HB GLU 40 8.759 -2.612 8.659 321 HG2 GLU 40 2HG GLU 40 10.893 -0.607 9.415 322 HG3 GLU 40 1HG GLU 40 9.457 -0.217 8.473 323 H LEU 41 H LEU 41 11.235 -4.632 7.730 324 HA LEU 41 HA LEU 41 9.534 -6.936 8.438 325 HB2 LEU 41 2HB LEU 41 10.933 -6.388 5.815 326 HB3 LEU 41 1HB LEU 41 9.733 -7.630 6.129 327 HG LEU 41 HG LEU 41 9.301 -4.630 6.093 328 HD11 LEU 41 1HD1 LEU 41 8.195 -4.956 4.098 329 HD12 LEU 41 2HD1 LEU 41 7.684 -6.590 4.519 330 HD13 LEU 41 3HD1 LEU 41 9.336 -6.294 3.991 331 HD21 LEU 41 3HD2 LEU 41 7.531 -6.862 7.092 332 HD22 LEU 41 1HD2 LEU 41 6.833 -5.399 6.402 333 HD23 LEU 41 2HD2 LEU 41 7.854 -5.286 7.831 334 H SER 42 H SER 42 10.313 -8.972 8.676 335 HA SER 42 HA SER 42 13.267 -9.229 8.727 336 HB2 SER 42 2HB SER 42 13.074 -10.711 10.570 337 HB3 SER 42 1HB SER 42 12.008 -9.359 10.946 338 HG SER 42 HG SER 42 11.323 -11.815 10.962 339 H GLY 43 H GLY 43 10.451 -11.403 8.698 340 HA2 GLY 43 2HA GLY 43 11.683 -13.515 7.365 341 HA3 GLY 43 1HA GLY 43 9.951 -13.254 7.454 342 H PHE 44 H PHE 44 9.896 -10.752 5.944 343 HA PHE 44 HA PHE 44 9.645 -11.831 3.365 344 HB2 PHE 44 2HB PHE 44 9.874 -8.969 4.294 345 HB3 PHE 44 1HB PHE 44 9.528 -9.417 2.626 346 HD1 PHE 44 1HD PHE 44 7.449 -10.593 2.033 347 HD2 PHE 44 2HD PHE 44 8.196 -9.274 6.062 348 HE1 PHE 44 1HE PHE 44 5.055 -10.914 2.589 349 HE2 PHE 44 2HE PHE 44 5.803 -9.594 6.606 350 HZ PHE 44 HZ PHE 44 4.232 -10.412 4.873 351 H LEU 45 H LEU 45 12.220 -9.634 4.568 352 HA LEU 45 HA LEU 45 13.745 -9.967 2.142 353 HB2 LEU 45 2HB LEU 45 14.011 -8.380 4.615 354 HB3 LEU 45 1HB LEU 45 15.546 -8.946 3.969 355 HG LEU 45 HG LEU 45 14.767 -6.684 3.096 356 HD11 LEU 45 1HD1 LEU 45 15.767 -9.033 1.629 357 HD12 LEU 45 2HD1 LEU 45 16.353 -7.368 1.640 358 HD13 LEU 45 3HD1 LEU 45 15.028 -7.822 0.571 359 HD21 LEU 45 3HD2 LEU 45 12.829 -6.439 1.936 360 HD22 LEU 45 1HD2 LEU 45 12.330 -7.921 2.747 361 HD23 LEU 45 2HD2 LEU 45 12.993 -7.983 1.110 362 H ASP 46 H ASP 46 13.856 -11.316 5.363 363 HA ASP 46 HA ASP 46 16.297 -12.644 5.159 364 HB2 ASP 46 2HB ASP 46 15.014 -12.307 7.265 365 HB3 ASP 46 1HB ASP 46 13.885 -13.555 6.736 366 H ALA 47 H ALA 47 13.119 -13.586 3.988 367 HA ALA 47 HA ALA 47 13.512 -16.321 3.677 368 HB1 ALA 47 1HB ALA 47 11.869 -14.350 2.094 369 HB2 ALA 47 2HB ALA 47 11.327 -15.447 3.364 370 HB3 ALA 47 3HB ALA 47 11.819 -16.087 1.796 371 H GLN 48 H GLN 48 14.613 -13.677 1.603 372 HA GLN 48 HA GLN 48 15.268 -15.269 -0.644 373 HB2 GLN 48 2HB GLN 48 16.649 -12.738 0.297 374 HB3 GLN 48 1HB GLN 48 16.771 -13.455 -1.308 375 HG2 GLN 48 2HG GLN 48 14.281 -12.285 -0.031 376 HG3 GLN 48 1HG GLN 48 15.157 -11.665 -1.422 377 HE21 GLN 48 1HE2 GLN 48 12.435 -13.381 -0.623 378 HE22 GLN 48 2HE2 GLN 48 12.239 -14.270 -2.061 379 H LYS 49 H LYS 49 16.946 -14.506 2.322 380 HA LYS 49 HA LYS 49 18.763 -15.401 3.369 381 HB2 LYS 49 2HB LYS 49 18.239 -17.679 1.452 382 HB3 LYS 49 1HB LYS 49 19.340 -17.750 2.828 383 HG2 LYS 49 2HG LYS 49 17.440 -17.151 4.333 384 HG3 LYS 49 1HG LYS 49 16.359 -17.222 2.942 385 HD2 LYS 49 2HD LYS 49 17.065 -19.589 2.565 386 HD3 LYS 49 1HD LYS 49 18.021 -19.502 4.045 387 HE2 LYS 49 2HE LYS 49 15.028 -19.044 3.872 388 HE3 LYS 49 1HE LYS 49 15.799 -20.517 4.460 389 HZ1 LYS 49 3HZ LYS 49 15.624 -19.479 6.429 390 HZ2 LYS 49 1HZ LYS 49 15.527 -17.930 5.742 391 HZ3 LYS 49 2HZ LYS 49 17.039 -18.682 5.931 392 H ASP 50 H ASP 50 19.301 -13.598 1.183 393 HA ASP 50 HA ASP 50 22.049 -14.479 0.618 394 HB2 ASP 50 2HB ASP 50 20.125 -13.484 -1.495 395 HB3 ASP 50 1HB ASP 50 21.864 -13.611 -1.724 396 H VAL 51 H VAL 51 23.527 -12.773 0.384 397 HA VAL 51 HA VAL 51 22.771 -10.335 1.710 398 HB VAL 51 HB VAL 51 25.060 -9.682 1.536 399 HG11 VAL 51 1HG1 VAL 51 26.009 -11.367 2.793 400 HG12 VAL 51 2HG1 VAL 51 25.406 -12.645 1.739 401 HG13 VAL 51 3HG1 VAL 51 24.314 -11.852 2.877 402 HG21 VAL 51 3HG2 VAL 51 25.305 -11.850 -0.576 403 HG22 VAL 51 1HG2 VAL 51 26.672 -10.996 0.132 404 HG23 VAL 51 2HG2 VAL 51 25.477 -10.113 -0.814 405 H ASP 52 H ASP 52 23.243 -11.343 -1.603 406 HA ASP 52 HA ASP 52 23.168 -8.645 -2.664 407 HB2 ASP 52 2HB ASP 52 23.108 -11.361 -3.992 408 HB3 ASP 52 1HB ASP 52 23.108 -9.834 -4.871 409 H ALA 53 H ALA 53 20.866 -10.648 -1.395 410 HA ALA 53 HA ALA 53 18.758 -10.588 -3.233 411 HB1 ALA 53 1HB ALA 53 17.309 -10.657 -1.129 412 HB2 ALA 53 2HB ALA 53 18.821 -10.610 -0.221 413 HB3 ALA 53 3HB ALA 53 18.492 -11.948 -1.317 414 H VAL 54 H VAL 54 19.816 -8.170 -0.863 415 HA VAL 54 HA VAL 54 17.609 -6.439 -1.123 416 HB VAL 54 HB VAL 54 19.470 -6.303 0.592 417 HG11 VAL 54 1HG1 VAL 54 21.533 -5.251 0.000 418 HG12 VAL 54 2HG1 VAL 54 20.912 -4.754 -1.572 419 HG13 VAL 54 3HG1 VAL 54 21.255 -6.454 -1.257 420 HG21 VAL 54 3HG2 VAL 54 18.031 -4.463 0.657 421 HG22 VAL 54 1HG2 VAL 54 18.409 -3.986 -0.999 422 HG23 VAL 54 2HG2 VAL 54 19.566 -3.676 0.294 423 H ASP 55 H ASP 55 20.687 -6.620 -2.911 424 HA ASP 55 HA ASP 55 20.230 -4.358 -4.540 425 HB2 ASP 55 2HB ASP 55 22.428 -5.537 -4.249 426 HB3 ASP 55 1HB ASP 55 21.809 -6.832 -5.273 427 H LYS 56 H LYS 56 19.547 -7.819 -5.021 428 HA LYS 56 HA LYS 56 18.486 -7.549 -7.626 429 HB2 LYS 56 2HB LYS 56 17.907 -9.612 -5.495 430 HB3 LYS 56 1HB LYS 56 17.401 -9.743 -7.180 431 HG2 LYS 56 2HG LYS 56 19.843 -9.452 -7.821 432 HG3 LYS 56 1HG LYS 56 20.233 -9.638 -6.112 433 HD2 LYS 56 2HD LYS 56 18.668 -11.670 -7.730 434 HD3 LYS 56 1HD LYS 56 20.397 -11.781 -7.408 435 HE2 LYS 56 2HE LYS 56 19.825 -11.647 -4.934 436 HE3 LYS 56 1HE LYS 56 18.136 -11.862 -5.397 437 HZ1 LYS 56 3HZ LYS 56 18.650 -14.022 -5.214 438 HZ2 LYS 56 1HZ LYS 56 20.316 -13.768 -5.404 439 HZ3 LYS 56 2HZ LYS 56 19.305 -13.825 -6.769 440 H VAL 57 H VAL 57 16.983 -7.325 -4.428 441 HA VAL 57 HA VAL 57 14.307 -7.209 -5.332 442 HB VAL 57 HB VAL 57 15.619 -6.127 -2.832 443 HG11 VAL 57 1HG1 VAL 57 13.626 -4.841 -3.123 444 HG12 VAL 57 2HG1 VAL 57 13.205 -6.128 -1.993 445 HG13 VAL 57 3HG1 VAL 57 12.718 -6.245 -3.683 446 HG21 VAL 57 3HG2 VAL 57 15.378 -8.690 -3.454 447 HG22 VAL 57 1HG2 VAL 57 13.701 -8.434 -2.974 448 HG23 VAL 57 2HG2 VAL 57 15.004 -8.134 -1.822 449 H MET 58 H MET 58 16.656 -4.631 -4.595 450 HA MET 58 HA MET 58 14.839 -2.532 -5.103 451 HB2 MET 58 2HB MET 58 16.526 -1.084 -4.608 452 HB3 MET 58 1HB MET 58 17.132 -2.542 -3.843 453 HG2 MET 58 2HG MET 58 19.032 -2.098 -5.004 454 HG3 MET 58 1HG MET 58 18.179 -2.776 -6.380 455 HE1 MET 58 3HE MET 58 18.723 -0.004 -4.154 456 HE2 MET 58 1HE MET 58 18.297 1.498 -4.984 457 HE3 MET 58 2HE MET 58 19.893 0.788 -5.205 458 H LYS 59 H LYS 59 16.952 -4.288 -7.352 459 HA LYS 59 HA LYS 59 16.887 -2.407 -9.448 460 HB2 LYS 59 2HB LYS 59 16.968 -5.404 -9.609 461 HB3 LYS 59 1HB LYS 59 17.266 -4.295 -10.949 462 HG2 LYS 59 2HG LYS 59 18.909 -3.278 -8.933 463 HG3 LYS 59 1HG LYS 59 19.020 -5.022 -8.696 464 HD2 LYS 59 2HD LYS 59 19.380 -3.604 -11.312 465 HD3 LYS 59 1HD LYS 59 20.715 -4.164 -10.295 466 HE2 LYS 59 2HE LYS 59 19.404 -6.477 -10.437 467 HE3 LYS 59 1HE LYS 59 18.773 -5.767 -11.924 468 HZ1 LYS 59 3HZ LYS 59 20.719 -6.920 -12.515 469 HZ2 LYS 59 1HZ LYS 59 21.600 -6.284 -11.212 470 HZ3 LYS 59 2HZ LYS 59 21.152 -5.277 -12.505 471 H GLU 60 H GLU 60 14.588 -4.967 -8.557 472 HA GLU 60 HA GLU 60 12.872 -4.646 -10.791 473 HB2 GLU 60 2HB GLU 60 12.833 -6.603 -9.255 474 HB3 GLU 60 1HB GLU 60 12.156 -5.570 -7.999 475 HG2 GLU 60 2HG GLU 60 10.247 -5.041 -9.510 476 HG3 GLU 60 1HG GLU 60 10.904 -6.169 -10.692 477 H LEU 61 H LEU 61 13.002 -3.158 -7.609 478 HA LEU 61 HA LEU 61 10.560 -1.743 -7.828 479 HB2 LEU 61 2HB LEU 61 12.963 -1.071 -6.126 480 HB3 LEU 61 1HB LEU 61 11.338 -0.436 -5.911 481 HG LEU 61 HG LEU 61 12.207 -3.318 -5.583 482 HD11 LEU 61 1HD1 LEU 61 10.895 -1.597 -3.511 483 HD12 LEU 61 2HD1 LEU 61 12.626 -1.434 -3.809 484 HD13 LEU 61 3HD1 LEU 61 11.963 -2.983 -3.295 485 HD21 LEU 61 3HD2 LEU 61 10.012 -3.565 -6.401 486 HD22 LEU 61 1HD2 LEU 61 9.475 -2.040 -5.680 487 HD23 LEU 61 2HD2 LEU 61 9.769 -3.444 -4.673 488 H ASP 62 H ASP 62 13.855 -0.926 -8.742 489 HA ASP 62 HA ASP 62 13.213 1.824 -9.141 490 HB2 ASP 62 2HB ASP 62 15.528 0.878 -8.820 491 HB3 ASP 62 1HB ASP 62 15.436 0.294 -10.482 492 H GLU 63 H GLU 63 11.165 1.487 -10.325 493 HA GLU 63 HA GLU 63 11.148 0.477 -13.008 494 HB2 GLU 63 2HB GLU 63 9.060 0.881 -11.737 495 HB3 GLU 63 1HB GLU 63 9.407 2.612 -11.731 496 HG2 GLU 63 2HG GLU 63 9.384 2.624 -14.192 497 HG3 GLU 63 1HG GLU 63 9.005 0.911 -14.200 498 H ASN 64 H ASN 64 11.757 3.390 -11.407 499 HA ASN 64 HA ASN 64 11.984 5.240 -13.432 500 HB2 ASN 64 2HB ASN 64 11.779 5.688 -11.073 501 HB3 ASN 64 1HB ASN 64 13.317 4.917 -10.767 502 HD21 ASN 64 1HD2 ASN 64 12.154 7.533 -12.976 503 HD22 ASN 64 2HD2 ASN 64 13.434 8.581 -12.598 504 H GLY 65 H GLY 65 14.396 2.956 -12.154 505 HA2 GLY 65 2HA GLY 65 16.218 2.064 -13.323 506 HA3 GLY 65 1HA GLY 65 15.959 3.254 -14.591 507 H ASP 66 H ASP 66 16.033 4.628 -11.469 508 HA ASP 66 HA ASP 66 18.618 5.847 -12.062 509 HB2 ASP 66 2HB ASP 66 18.073 7.367 -10.218 510 HB3 ASP 66 1HB ASP 66 16.731 7.263 -11.356 511 H GLY 67 H GLY 67 17.888 3.019 -10.703 512 HA2 GLY 67 2HA GLY 67 19.087 1.565 -9.370 513 HA3 GLY 67 1HA GLY 67 20.367 2.776 -9.320 514 H GLU 68 H GLU 68 17.712 4.376 -8.447 515 HA GLU 68 HA GLU 68 18.036 3.858 -5.544 516 HB2 GLU 68 2HB GLU 68 19.012 6.004 -6.439 517 HB3 GLU 68 1HB GLU 68 17.375 6.483 -6.881 518 HG2 GLU 68 2HG GLU 68 16.673 6.257 -4.537 519 HG3 GLU 68 1HG GLU 68 18.304 5.781 -4.094 520 H VAL 69 H VAL 69 16.160 3.760 -4.308 521 HA VAL 69 HA VAL 69 13.779 3.194 -5.916 522 HB VAL 69 HB VAL 69 14.342 2.669 -2.999 523 HG11 VAL 69 1HG1 VAL 69 11.930 2.798 -3.596 524 HG12 VAL 69 2HG1 VAL 69 12.429 1.189 -3.082 525 HG13 VAL 69 3HG1 VAL 69 12.203 1.533 -4.796 526 HG21 VAL 69 3HG2 VAL 69 14.522 0.288 -3.868 527 HG22 VAL 69 1HG2 VAL 69 15.863 1.367 -4.242 528 HG23 VAL 69 2HG2 VAL 69 14.657 0.998 -5.476 529 H ASP 70 H ASP 70 11.957 4.407 -5.905 530 HA ASP 70 HA ASP 70 12.002 6.827 -4.229 531 HB2 ASP 70 2HB ASP 70 11.793 7.052 -6.712 532 HB3 ASP 70 1HB ASP 70 10.232 6.271 -6.595 533 H PHE 71 H PHE 71 10.037 7.626 -3.312 534 HA PHE 71 HA PHE 71 8.839 5.943 -1.485 535 HB2 PHE 71 2HB PHE 71 8.854 8.511 -1.692 536 HB3 PHE 71 1HB PHE 71 7.474 8.322 -2.757 537 HD1 PHE 71 1HD PHE 71 6.747 5.720 -0.669 538 HD2 PHE 71 2HD PHE 71 7.207 9.982 -0.466 539 HE1 PHE 71 1HE PHE 71 5.233 5.787 1.281 540 HE2 PHE 71 2HE PHE 71 5.702 10.033 1.489 541 HZ PHE 71 HZ PHE 71 4.721 7.943 2.355 542 H GLN 72 H GLN 72 7.617 6.876 -4.734 543 HA GLN 72 HA GLN 72 5.166 5.456 -4.533 544 HB2 GLN 72 2HB GLN 72 6.844 6.155 -6.960 545 HB3 GLN 72 1HB GLN 72 5.198 5.527 -7.031 546 HG2 GLN 72 2HG GLN 72 4.391 7.447 -5.743 547 HG3 GLN 72 1HG GLN 72 6.021 8.076 -5.604 548 HE21 GLN 72 1HE2 GLN 72 4.019 9.645 -6.784 549 HE22 GLN 72 2HE2 GLN 72 4.329 9.787 -8.441 550 H GLU 73 H GLU 73 8.401 4.474 -5.644 551 HA GLU 73 HA GLU 73 7.709 1.905 -6.604 552 HB2 GLU 73 2HB GLU 73 10.281 2.932 -5.396 553 HB3 GLU 73 1HB GLU 73 10.135 1.439 -6.308 554 HG2 GLU 73 2HG GLU 73 9.393 2.761 -8.288 555 HG3 GLU 73 1HG GLU 73 9.616 4.242 -7.359 556 H TYR 74 H TYR 74 8.802 3.117 -3.488 557 HA TYR 74 HA TYR 74 8.963 0.694 -2.039 558 HB2 TYR 74 2HB TYR 74 9.958 2.858 -1.347 559 HB3 TYR 74 1HB TYR 74 8.339 3.495 -1.068 560 HD1 TYR 74 1HD TYR 74 10.899 1.116 0.089 561 HD2 TYR 74 2HD TYR 74 7.006 2.772 0.821 562 HE1 TYR 74 1HE TYR 74 10.913 0.146 2.368 563 HE2 TYR 74 2HE TYR 74 7.019 1.794 3.101 564 HH TYR 74 HH TYR 74 8.855 1.083 4.769 565 H VAL 75 H VAL 75 6.456 3.035 -2.557 566 HA VAL 75 HA VAL 75 4.533 2.027 -0.781 567 HB VAL 75 HB VAL 75 4.670 4.211 -2.608 568 HG11 VAL 75 1HG1 VAL 75 3.523 3.036 -4.352 569 HG12 VAL 75 2HG1 VAL 75 2.392 4.163 -3.614 570 HG13 VAL 75 3HG1 VAL 75 2.304 2.459 -3.232 571 HG21 VAL 75 3HG2 VAL 75 2.455 4.820 -1.490 572 HG22 VAL 75 1HG2 VAL 75 3.839 4.560 -0.427 573 HG23 VAL 75 2HG2 VAL 75 2.603 3.306 -0.604 574 H VAL 76 H VAL 76 5.029 1.364 -4.275 575 HA VAL 76 HA VAL 76 2.861 -0.505 -4.271 576 HB VAL 76 HB VAL 76 3.653 -1.284 -6.420 577 HG11 VAL 76 1HG1 VAL 76 4.174 1.690 -6.353 578 HG12 VAL 76 2HG1 VAL 76 2.560 1.035 -6.072 579 HG13 VAL 76 3HG1 VAL 76 3.376 0.745 -7.610 580 HG21 VAL 76 3HG2 VAL 76 6.059 0.494 -6.079 581 HG22 VAL 76 1HG2 VAL 76 5.756 -0.663 -7.363 582 HG23 VAL 76 2HG2 VAL 76 6.119 -1.228 -5.735 583 H LEU 77 H LEU 77 6.346 -0.771 -3.500 584 HA LEU 77 HA LEU 77 6.464 -3.584 -3.456 585 HB2 LEU 77 2HB LEU 77 8.482 -2.287 -3.142 586 HB3 LEU 77 1HB LEU 77 7.839 -1.556 -1.684 587 HG LEU 77 HG LEU 77 7.807 -3.877 -0.637 588 HD11 LEU 77 1HD1 LEU 77 8.701 -5.732 -1.621 589 HD12 LEU 77 2HD1 LEU 77 9.854 -4.820 -2.574 590 HD13 LEU 77 3HD1 LEU 77 8.180 -4.940 -3.097 591 HD21 LEU 77 3HD2 LEU 77 10.386 -2.594 -1.528 592 HD22 LEU 77 1HD2 LEU 77 10.321 -3.889 -0.335 593 HD23 LEU 77 2HD2 LEU 77 9.521 -2.351 -0.012 594 H VAL 78 H VAL 78 5.605 -1.402 -0.720 595 HA VAL 78 HA VAL 78 5.055 -3.637 0.969 596 HB VAL 78 HB VAL 78 3.953 -2.092 2.519 597 HG11 VAL 78 1HG1 VAL 78 6.634 -1.512 1.348 598 HG12 VAL 78 2HG1 VAL 78 6.201 -2.129 2.945 599 HG13 VAL 78 3HG1 VAL 78 5.998 -0.417 2.578 600 HG21 VAL 78 3HG2 VAL 78 2.912 -0.603 0.772 601 HG22 VAL 78 1HG2 VAL 78 4.506 0.098 0.489 602 HG23 VAL 78 2HG2 VAL 78 3.735 0.264 2.061 603 H ALA 79 H ALA 79 3.006 -1.721 -1.193 604 HA ALA 79 HA ALA 79 0.561 -2.848 -0.196 605 HB1 ALA 79 1HB ALA 79 -0.479 -1.604 -1.783 606 HB2 ALA 79 2HB ALA 79 0.700 -1.999 -3.039 607 HB3 ALA 79 3HB ALA 79 1.078 -0.795 -1.818 608 H ALA 80 H ALA 80 2.557 -3.662 -3.026 609 HA ALA 80 HA ALA 80 0.949 -5.800 -3.920 610 HB1 ALA 80 1HB ALA 80 3.881 -5.170 -4.307 611 HB2 ALA 80 2HB ALA 80 2.550 -4.872 -5.430 612 HB3 ALA 80 3HB ALA 80 3.074 -6.526 -5.096 613 H LEU 81 H LEU 81 3.679 -5.589 -1.640 614 HA LEU 81 HA LEU 81 3.797 -8.401 -1.201 615 HB2 LEU 81 2HB LEU 81 4.904 -6.014 0.191 616 HB3 LEU 81 1HB LEU 81 4.785 -7.511 1.113 617 HG LEU 81 HG LEU 81 6.083 -8.706 -0.580 618 HD11 LEU 81 1HD1 LEU 81 6.527 -6.106 -2.039 619 HD12 LEU 81 2HD1 LEU 81 5.265 -7.230 -2.520 620 HD13 LEU 81 3HD1 LEU 81 6.949 -7.731 -2.552 621 HD21 LEU 81 3HD2 LEU 81 7.384 -6.086 0.215 622 HD22 LEU 81 1HD2 LEU 81 8.241 -7.540 -0.296 623 HD23 LEU 81 2HD2 LEU 81 7.311 -7.546 1.202 624 H THR 82 H THR 82 1.822 -5.797 0.181 625 HA THR 82 HA THR 82 0.795 -7.288 2.362 626 HB THR 82 HB THR 82 -0.631 -5.159 0.752 627 HG1 THR 82 1HG THR 82 0.398 -3.716 2.031 628 HG21 THR 82 3HG2 THR 82 -1.404 -4.786 3.292 629 HG22 THR 82 1HG2 THR 82 -1.102 -6.521 3.360 630 HG23 THR 82 2HG2 THR 82 -2.262 -5.873 2.199 631 H VAL 83 H VAL 83 -0.557 -6.797 -0.930 632 HA VAL 83 HA VAL 83 -2.754 -8.566 -0.462 633 HB VAL 83 HB VAL 83 -2.808 -6.961 -2.339 634 HG11 VAL 83 1HG1 VAL 83 -0.387 -7.415 -3.036 635 HG12 VAL 83 2HG1 VAL 83 -1.546 -7.253 -4.324 636 HG13 VAL 83 3HG1 VAL 83 -0.991 -8.854 -3.837 637 HG21 VAL 83 3HG2 VAL 83 -2.972 -9.689 -3.581 638 HG22 VAL 83 1HG2 VAL 83 -4.108 -8.341 -3.686 639 HG23 VAL 83 2HG2 VAL 83 -4.021 -9.304 -2.213 640 H ALA 84 H ALA 84 0.510 -9.107 -1.703 641 HA ALA 84 HA ALA 84 0.114 -11.820 -2.443 642 HB1 ALA 84 1HB ALA 84 2.698 -10.567 -1.511 643 HB2 ALA 84 2HB ALA 84 2.040 -10.343 -3.133 644 HB3 ALA 84 3HB ALA 84 2.495 -11.955 -2.580 645 H CYS 85 H CHC 85 0.781 -10.178 0.550 646 HA CYS 85 HA CHC 85 1.620 -12.437 2.056 647 HB2 CYS 85 2HB CHC 85 1.958 -10.009 2.691 648 HB3 CYS 85 1HB CHC 85 0.247 -9.958 3.112 649 H ASN 86 H ASN 86 -1.516 -10.679 1.909 650 HA ASN 86 HA ASN 86 -2.909 -12.519 3.530 651 HB2 ASN 86 2HB ASN 86 -3.809 -10.312 2.737 652 HB3 ASN 86 1HB ASN 86 -4.056 -11.042 1.151 653 HD21 ASN 86 1HD2 ASN 86 -4.942 -11.525 4.611 654 HD22 ASN 86 2HD2 ASN 86 -6.444 -12.241 4.275 655 H ASN 87 H ASN 87 -2.230 -12.475 0.052 656 HA ASN 87 HA ASN 87 -3.703 -14.785 -0.691 657 HB2 ASN 87 2HB ASN 87 -1.127 -13.644 -1.807 658 HB3 ASN 87 1HB ASN 87 -2.095 -14.890 -2.588 659 HD21 ASN 87 1HD2 ASN 87 -1.643 -12.364 -3.855 660 HD22 ASN 87 2HD2 ASN 87 -3.119 -11.529 -3.923 661 H PHE 88 H PHE 88 -0.404 -14.404 0.608 662 HA PHE 88 HA PHE 88 0.170 -17.160 0.295 663 HB2 PHE 88 2HB PHE 88 1.925 -15.442 0.752 664 HB3 PHE 88 1HB PHE 88 1.295 -15.257 2.389 665 HD1 PHE 88 1HD PHE 88 2.945 -17.596 0.037 666 HD2 PHE 88 2HD PHE 88 1.695 -16.915 4.089 667 HE1 PHE 88 1HE PHE 88 4.284 -19.547 0.779 668 HE2 PHE 88 2HE PHE 88 3.035 -18.865 4.831 669 HZ PHE 88 HZ PHE 88 4.328 -20.182 3.175 670 H PHE 89 H PHE 89 -1.352 -15.307 2.932 671 HA PHE 89 HA PHE 89 -1.413 -17.422 4.800 672 HB2 PHE 89 2HB PHE 89 -1.830 -15.049 5.363 673 HB3 PHE 89 1HB PHE 89 -3.378 -15.142 4.521 674 HD1 PHE 89 1HD PHE 89 -1.435 -16.394 7.418 675 HD2 PHE 89 2HD PHE 89 -5.268 -16.286 5.481 676 HE1 PHE 89 1HE PHE 89 -2.489 -17.338 9.453 677 HE2 PHE 89 2HE PHE 89 -6.323 -17.231 7.517 678 HZ PHE 89 HZ PHE 89 -4.934 -17.757 9.503 679 H TRP 90 H TRP 90 -4.198 -16.226 2.807 680 HA TRP 90 HA TRP 90 -5.747 -18.570 3.431 681 HB2 TRP 90 2HB TRP 90 -6.842 -16.469 2.779 682 HB3 TRP 90 1HB TRP 90 -6.177 -16.649 1.148 683 HD1 TRP 90 HD TRP 90 -6.830 -18.917 -0.158 684 HE1 TRP 90 1HE TRP 90 -8.988 -20.297 -0.134 685 HE3 TRP 90 3HE TRP 90 -8.886 -17.197 4.176 686 HZ2 TRP 90 2HZ TRP 90 -11.313 -20.626 1.517 687 HZ3 TRP 90 3HZ TRP 90 -11.074 -18.061 4.955 688 HH2 TRP 90 HH TRP 90 -12.289 -19.771 3.633 689 H GLU 91 H GLU 91 -3.875 -17.573 0.672 690 HA GLU 91 HA GLU 91 -4.268 -20.146 -0.666 691 HB2 GLU 91 2HB GLU 91 -3.229 -17.467 -1.535 692 HB3 GLU 91 1HB GLU 91 -2.926 -18.866 -2.493 693 HG2 GLU 91 2HG GLU 91 -5.420 -19.258 -2.534 694 HG3 GLU 91 1HG GLU 91 -5.609 -17.754 -1.634 695 H ASN 92 H ASN 92 -2.547 -21.460 -1.303 696 HA ASN 92 HA ASN 92 -0.071 -21.088 0.263 697 HB2 ASN 92 2HB ASN 92 -1.268 -23.554 -1.020 698 HB3 ASN 92 1HB ASN 92 0.274 -23.515 -0.168 699 HD21 ASN 92 1HD2 ASN 92 -1.887 -25.147 0.760 700 HD22 ASN 92 2HD2 ASN 92 -2.430 -24.519 2.241 701 H SER 93 H SER 93 1.887 -20.945 -0.709 702 HA SER 93 HA SER 93 2.046 -20.165 -3.426 703 HB2 SER 93 2HB SER 93 3.693 -19.358 -1.868 704 HB3 SER 93 1HB SER 93 4.176 -20.998 -1.448 705 HG SER 93 HG SER 93 4.254 -20.234 -4.134 706 H1 GLY 1 H GLY 1 11.045 -3.449 15.353 707 HA2 GLY 1 2HA GLY 1 8.980 -1.411 15.126 708 HA3 GLY 1 1HA GLY 1 10.290 -1.700 13.986 709 H SER 2 H SER 2 7.551 -3.604 15.253 710 HA SER 2 HA SER 2 7.125 -4.820 12.654 711 HB2 SER 2 2HB SER 2 5.669 -5.094 15.290 712 HB3 SER 2 1HB SER 2 5.261 -6.001 13.836 713 HG SER 2 HG SER 2 6.753 -7.041 15.345 714 H GLU 3 H GLU 3 6.499 -1.836 13.568 715 HA GLU 3 HA GLU 3 3.736 -1.437 13.342 716 HB2 GLU 3 2HB GLU 3 6.038 0.376 12.622 717 HB3 GLU 3 1HB GLU 3 4.355 0.896 12.682 718 HG2 GLU 3 2HG GLU 3 4.232 0.174 15.041 719 HG3 GLU 3 1HG GLU 3 5.932 -0.286 14.981 720 H LEU 4 H LEU 4 6.212 -1.609 10.768 721 HA LEU 4 HA LEU 4 4.504 -0.686 8.710 722 HB2 LEU 4 2HB LEU 4 7.056 -1.155 8.690 723 HB3 LEU 4 1HB LEU 4 6.599 -2.816 8.320 724 HG LEU 4 HG LEU 4 5.582 -0.445 6.733 725 HD11 LEU 4 1HD1 LEU 4 8.061 -0.470 6.691 726 HD12 LEU 4 2HD1 LEU 4 7.340 -0.790 5.117 727 HD13 LEU 4 3HD1 LEU 4 8.013 -2.116 6.058 728 HD21 LEU 4 3HD2 LEU 4 5.894 -2.756 5.113 729 HD22 LEU 4 1HD2 LEU 4 4.408 -1.967 5.619 730 HD23 LEU 4 2HD2 LEU 4 5.081 -3.279 6.579 731 H GLU 5 H GLU 5 5.131 -3.889 10.100 732 HA GLU 5 HA GLU 5 3.435 -5.352 8.351 733 HB2 GLU 5 2HB GLU 5 4.369 -5.949 11.165 734 HB3 GLU 5 1HB GLU 5 3.454 -7.081 10.172 735 HG2 GLU 5 2HG GLU 5 5.233 -6.966 8.451 736 HG3 GLU 5 1HG GLU 5 6.157 -5.894 9.498 737 H THR 6 H THR 6 2.913 -3.655 11.409 738 HA THR 6 HA THR 6 0.309 -4.591 11.920 739 HB THR 6 HB THR 6 1.400 -1.823 12.496 740 HG1 THR 6 1HG THR 6 1.631 -3.111 14.624 741 HG21 THR 6 3HG2 THR 6 -0.952 -3.430 13.440 742 HG22 THR 6 1HG2 THR 6 -0.875 -1.726 12.994 743 HG23 THR 6 2HG2 THR 6 -0.201 -2.267 14.531 744 H ALA 7 H ALA 7 1.566 -1.956 9.952 745 HA ALA 7 HA ALA 7 -0.947 -0.873 9.176 746 HB1 ALA 7 1HB ALA 7 0.257 0.433 7.666 747 HB2 ALA 7 2HB ALA 7 1.442 -0.835 7.363 748 HB3 ALA 7 3HB ALA 7 1.481 0.063 8.878 749 H MET 8 H MET 8 1.219 -3.256 7.654 750 HA MET 8 HA MET 8 -0.312 -3.712 5.321 751 HB2 MET 8 2HB MET 8 1.541 -5.519 6.909 752 HB3 MET 8 1HB MET 8 0.911 -5.923 5.312 753 HG2 MET 8 2HG MET 8 1.947 -3.888 4.378 754 HG3 MET 8 1HG MET 8 2.580 -3.462 5.956 755 HE1 MET 8 3HE MET 8 2.419 -7.003 3.980 756 HE2 MET 8 1HE MET 8 3.943 -6.768 3.114 757 HE3 MET 8 2HE MET 8 2.632 -5.608 2.921 758 H GLU 9 H GLU 9 -0.417 -5.184 8.542 759 HA GLU 9 HA GLU 9 -2.435 -7.088 7.951 760 HB2 GLU 9 2HB GLU 9 -1.583 -5.839 10.570 761 HB3 GLU 9 1HB GLU 9 -2.761 -7.145 10.438 762 HG2 GLU 9 2HG GLU 9 -1.067 -8.539 9.286 763 HG3 GLU 9 1HG GLU 9 0.113 -7.250 9.477 764 H THR 10 H THR 10 -2.490 -3.707 9.001 765 HA THR 10 HA THR 10 -5.257 -3.625 9.598 766 HB THR 10 HB THR 10 -3.538 -1.388 8.533 767 HG1 THR 10 1HG THR 10 -3.899 -2.515 11.078 768 HG21 THR 10 3HG2 THR 10 -6.002 -0.992 8.483 769 HG22 THR 10 1HG2 THR 10 -5.173 0.064 9.631 770 HG23 THR 10 2HG2 THR 10 -6.062 -1.342 10.214 771 H LEU 11 H LEU 11 -3.432 -3.021 6.572 772 HA LEU 11 HA LEU 11 -5.698 -2.252 5.050 773 HB2 LEU 11 2HB LEU 11 -3.276 -3.758 4.035 774 HB3 LEU 11 1HB LEU 11 -4.380 -2.786 3.074 775 HG LEU 11 HG LEU 11 -2.461 -1.799 5.196 776 HD11 LEU 11 1HD1 LEU 11 -1.256 -2.129 3.209 777 HD12 LEU 11 2HD1 LEU 11 -1.711 -0.426 3.133 778 HD13 LEU 11 3HD1 LEU 11 -2.610 -1.621 2.199 779 HD21 LEU 11 3HD2 LEU 11 -3.293 0.488 4.269 780 HD22 LEU 11 1HD2 LEU 11 -4.278 -0.333 5.475 781 HD23 LEU 11 2HD2 LEU 11 -4.722 -0.409 3.766 782 H ILE 12 H ILE 12 -4.183 -5.380 5.712 783 HA ILE 12 HA ILE 12 -5.920 -6.911 4.072 784 HB ILE 12 HB ILE 12 -4.435 -7.689 6.587 785 HG12 ILE 12 2HG1 ILE 12 -3.789 -8.240 3.681 786 HG13 ILE 12 1HG1 ILE 12 -3.104 -6.892 4.566 787 HG21 ILE 12 1HG2 ILE 12 -4.724 -10.018 5.533 788 HG22 ILE 12 2HG2 ILE 12 -6.002 -9.288 4.562 789 HG23 ILE 12 3HG2 ILE 12 -6.136 -9.316 6.321 790 HD11 ILE 12 3HD1 ILE 12 -1.858 -8.292 5.972 791 HD12 ILE 12 1HD1 ILE 12 -1.791 -9.162 4.438 792 HD13 ILE 12 2HD1 ILE 12 -2.920 -9.671 5.695 793 H ASN 13 H ASN 13 -6.134 -6.009 7.491 794 HA ASN 13 HA ASN 13 -8.458 -7.450 8.103 795 HB2 ASN 13 2HB ASN 13 -7.337 -4.922 9.302 796 HB3 ASN 13 1HB ASN 13 -8.656 -5.853 10.009 797 HD21 ASN 13 1HD2 ASN 13 -6.181 -5.511 11.402 798 HD22 ASN 13 2HD2 ASN 13 -5.403 -7.018 11.486 799 H VAL 14 H VAL 14 -8.132 -4.089 6.883 800 HA VAL 14 HA VAL 14 -10.962 -3.674 7.118 801 HB VAL 14 HB VAL 14 -10.662 -1.546 6.006 802 HG11 VAL 14 1HG1 VAL 14 -9.344 -0.519 7.653 803 HG12 VAL 14 2HG1 VAL 14 -8.213 -1.868 7.726 804 HG13 VAL 14 3HG1 VAL 14 -9.827 -2.035 8.415 805 HG21 VAL 14 3HG2 VAL 14 -9.151 -1.873 4.214 806 HG22 VAL 14 1HG2 VAL 14 -7.945 -2.625 5.248 807 HG23 VAL 14 2HG2 VAL 14 -8.229 -0.898 5.364 808 H PHE 15 H PHE 15 -8.812 -4.588 4.416 809 HA PHE 15 HA PHE 15 -10.825 -4.539 2.421 810 HB2 PHE 15 2HB PHE 15 -8.452 -4.748 1.848 811 HB3 PHE 15 1HB PHE 15 -8.397 -6.336 2.620 812 HD1 PHE 15 1HD PHE 15 -10.241 -4.418 -0.018 813 HD2 PHE 15 2HD PHE 15 -8.954 -8.252 1.417 814 HE1 PHE 15 1HE PHE 15 -11.113 -5.490 -2.072 815 HE2 PHE 15 2HE PHE 15 -9.815 -9.317 -0.644 816 HZ PHE 15 HZ PHE 15 -10.898 -7.935 -2.394 817 H HIS 16 H HIS 16 -9.671 -7.093 4.569 818 HA HIS 16 HA HIS 16 -11.521 -9.057 3.704 819 HB2 HIS 16 2HB HIS 16 -9.463 -9.600 4.998 820 HB3 HIS 16 1HB HIS 16 -10.170 -8.802 6.403 821 HD1 HIS 16 1HD HIS 16 -12.004 -10.046 7.688 822 HD2 HIS 16 2HD HIS 16 -10.775 -12.061 4.251 823 HE1 HIS 16 1HE HIS 16 -13.046 -12.352 7.798 824 HE2 HIS 16 2HE HIS 16 -12.305 -13.594 5.710 825 H ALA 17 H ALA 17 -11.669 -6.471 6.063 826 HA ALA 17 HA ALA 17 -13.954 -7.332 7.416 827 HB1 ALA 17 1HB ALA 17 -12.543 -5.271 7.939 828 HB2 ALA 17 2HB ALA 17 -14.284 -5.035 8.037 829 HB3 ALA 17 3HB ALA 17 -13.396 -4.452 6.621 830 H HIS 18 H HIS 18 -13.673 -5.224 4.527 831 HA HIS 18 HA HIS 18 -16.566 -5.363 4.207 832 HB2 HIS 18 2HB HIS 18 -14.371 -4.033 2.667 833 HB3 HIS 18 1HB HIS 18 -16.020 -4.096 2.036 834 HD1 HIS 18 1HD HIS 18 -14.253 -3.141 5.288 835 HD2 HIS 18 2HD HIS 18 -17.671 -2.166 3.120 836 HE1 HIS 18 1HE HIS 18 -15.394 -1.268 6.557 837 HE2 HIS 18 2HE HIS 18 -17.483 -0.661 5.246 838 H SER 19 H SER 19 -13.876 -6.648 2.135 839 HA SER 19 HA SER 19 -15.612 -7.833 0.285 840 HB2 SER 19 2HB SER 19 -13.158 -7.657 -0.067 841 HB3 SER 19 1HB SER 19 -12.921 -8.924 1.128 842 HG SER 19 HG SER 19 -13.193 -9.375 -1.348 843 H GLY 20 H GLY 20 -14.293 -8.991 3.347 844 HA2 GLY 20 2HA GLY 20 -15.437 -11.601 3.304 845 HA3 GLY 20 1HA GLY 20 -14.785 -10.787 4.693 846 H LYS 21 H LYS 21 -16.440 -8.540 4.787 847 HA LYS 21 HA LYS 21 -18.671 -9.568 6.175 848 HB2 LYS 21 2HB LYS 21 -17.786 -7.326 6.538 849 HB3 LYS 21 1HB LYS 21 -18.352 -6.823 4.948 850 HG2 LYS 21 2HG LYS 21 -20.671 -7.324 5.687 851 HG3 LYS 21 1HG LYS 21 -20.046 -7.779 7.270 852 HD2 LYS 21 2HD LYS 21 -20.764 -5.464 7.376 853 HD3 LYS 21 1HD LYS 21 -19.009 -5.508 7.460 854 HE2 LYS 21 2HE LYS 21 -20.075 -5.344 4.708 855 HE3 LYS 21 1HE LYS 21 -20.450 -3.944 5.713 856 HZ1 LYS 21 3HZ LYS 21 -18.165 -4.212 4.416 857 HZ2 LYS 21 1HZ LYS 21 -17.731 -4.967 5.872 858 HZ3 LYS 21 2HZ LYS 21 -18.294 -3.365 5.884 859 H GLU 22 H GLU 22 -18.465 -8.336 2.816 860 HA GLU 22 HA GLU 22 -21.101 -9.613 2.348 861 HB2 GLU 22 2HB GLU 22 -20.169 -6.954 1.308 862 HB3 GLU 22 1HB GLU 22 -21.601 -7.790 0.713 863 HG2 GLU 22 2HG GLU 22 -21.117 -6.948 3.570 864 HG3 GLU 22 1HG GLU 22 -22.161 -6.106 2.438 865 H GLY 23 H GLY 23 -21.498 -10.452 0.284 866 HA2 GLY 23 2HA GLY 23 -20.981 -11.584 -1.644 867 HA3 GLY 23 1HA GLY 23 -19.878 -10.254 -1.967 868 H ASP 24 H ASP 24 -18.332 -11.573 -2.916 869 HA ASP 24 HA ASP 24 -17.240 -13.877 -1.619 870 HB2 ASP 24 2HB ASP 24 -16.214 -12.175 -3.887 871 HB3 ASP 24 1HB ASP 24 -15.441 -13.660 -3.348 872 H LYS 25 H LYS 25 -15.471 -14.073 -0.366 873 HA LYS 25 HA LYS 25 -14.758 -11.940 1.272 874 HB2 LYS 25 2HB LYS 25 -13.253 -14.518 0.850 875 HB3 LYS 25 1HB LYS 25 -13.065 -13.413 2.221 876 HG2 LYS 25 2HG LYS 25 -15.549 -13.731 2.719 877 HG3 LYS 25 1HG LYS 25 -15.571 -15.007 1.506 878 HD2 LYS 25 2HD LYS 25 -13.734 -14.973 3.922 879 HD3 LYS 25 1HD LYS 25 -15.248 -15.872 3.829 880 HE2 LYS 25 2HE LYS 25 -14.136 -16.803 1.587 881 HE3 LYS 25 1HE LYS 25 -12.649 -16.383 2.441 882 HZ1 LYS 25 3HZ LYS 25 -14.739 -17.868 3.867 883 HZ2 LYS 25 1HZ LYS 25 -13.057 -17.888 4.089 884 HZ3 LYS 25 2HZ LYS 25 -13.748 -18.702 2.767 885 H TYR 26 H TYR 26 -13.185 -13.098 -1.640 886 HA TYR 26 HA TYR 26 -10.995 -11.175 -1.167 887 HB2 TYR 26 2HB TYR 26 -11.150 -13.526 -3.054 888 HB3 TYR 26 1HB TYR 26 -9.754 -12.463 -2.853 889 HD1 TYR 26 2HD TYR 26 -8.643 -12.291 -0.602 890 HD2 TYR 26 1HD TYR 26 -11.613 -15.263 -1.486 891 HE1 TYR 26 2HE TYR 26 -7.926 -13.597 1.377 892 HE2 TYR 26 1HE TYR 26 -10.897 -16.569 0.496 893 HH TYR 26 HH TYR 26 -9.479 -15.581 2.921 894 H LYS 27 H LYS 27 -13.795 -10.604 -2.388 895 HA LYS 27 HA LYS 27 -12.654 -9.079 -4.632 896 HB2 LYS 27 2HB LYS 27 -13.705 -11.284 -5.463 897 HB3 LYS 27 1HB LYS 27 -15.241 -10.557 -5.033 898 HG2 LYS 27 2HG LYS 27 -14.965 -10.087 -7.304 899 HG3 LYS 27 1HG LYS 27 -14.541 -8.597 -6.470 900 HD2 LYS 27 2HD LYS 27 -12.170 -9.048 -6.785 901 HD3 LYS 27 1HD LYS 27 -12.524 -10.649 -7.422 902 HE2 LYS 27 2HE LYS 27 -13.895 -9.417 -9.222 903 HE3 LYS 27 1HE LYS 27 -13.069 -7.958 -8.675 904 HZ1 LYS 27 3HZ LYS 27 -11.987 -10.310 -10.040 905 HZ2 LYS 27 1HZ LYS 27 -10.985 -9.505 -8.934 906 HZ3 LYS 27 2HZ LYS 27 -11.626 -8.664 -10.263 907 H LEU 28 H LEU 28 -13.688 -7.055 -4.987 908 HA LEU 28 HA LEU 28 -15.606 -6.389 -2.840 909 HB2 LEU 28 2HB LEU 28 -13.156 -5.543 -2.912 910 HB3 LEU 28 1HB LEU 28 -13.705 -4.512 -4.184 911 HG LEU 28 HG LEU 28 -15.307 -3.394 -2.711 912 HD11 LEU 28 1HD1 LEU 28 -14.420 -5.513 -0.735 913 HD12 LEU 28 2HD1 LEU 28 -16.045 -4.900 -1.051 914 HD13 LEU 28 3HD1 LEU 28 -14.899 -3.924 -0.149 915 HD21 LEU 28 3HD2 LEU 28 -12.927 -2.605 -2.808 916 HD22 LEU 28 1HD2 LEU 28 -12.556 -3.632 -1.425 917 HD23 LEU 28 2HD2 LEU 28 -13.663 -2.286 -1.231 918 H SER 29 H SER 29 -17.526 -5.498 -3.381 919 HA SER 29 HA SER 29 -18.062 -4.946 -6.215 920 HB2 SER 29 2HB SER 29 -19.520 -6.581 -5.072 921 HB3 SER 29 1HB SER 29 -19.995 -5.335 -3.930 922 HG SER 29 HG SER 29 -20.901 -5.811 -6.417 923 H LYS 30 H LYS 30 -19.397 -3.077 -6.783 924 HA LYS 30 HA LYS 30 -18.360 -0.668 -5.935 925 HB2 LYS 30 2HB LYS 30 -19.808 -0.990 -7.940 926 HB3 LYS 30 1HB LYS 30 -21.196 -1.082 -6.856 927 HG2 LYS 30 2HG LYS 30 -20.568 1.190 -5.961 928 HG3 LYS 30 1HG LYS 30 -19.314 1.269 -7.196 929 HD2 LYS 30 2HD LYS 30 -21.246 2.406 -8.070 930 HD3 LYS 30 1HD LYS 30 -21.108 0.868 -8.925 931 HE2 LYS 30 2HE LYS 30 -23.017 0.022 -7.988 932 HE3 LYS 30 1HE LYS 30 -22.717 0.770 -6.412 933 HZ1 LYS 30 3HZ LYS 30 -23.156 2.854 -8.161 934 HZ2 LYS 30 1HZ LYS 30 -24.225 2.273 -6.981 935 HZ3 LYS 30 2HZ LYS 30 -24.324 1.692 -8.575 936 H LYS 31 H LYS 31 -21.338 -2.244 -4.878 937 HA LYS 31 HA LYS 31 -22.205 -0.225 -3.162 938 HB2 LYS 31 2HB LYS 31 -23.630 -1.928 -2.195 939 HB3 LYS 31 1HB LYS 31 -23.513 -2.233 -3.930 940 HG2 LYS 31 2HG LYS 31 -21.641 -3.857 -3.437 941 HG3 LYS 31 1HG LYS 31 -22.001 -3.638 -1.725 942 HD2 LYS 31 2HD LYS 31 -24.317 -4.272 -2.185 943 HD3 LYS 31 1HD LYS 31 -23.854 -4.741 -3.813 944 HE2 LYS 31 2HE LYS 31 -22.567 -5.832 -1.292 945 HE3 LYS 31 1HE LYS 31 -23.870 -6.648 -2.154 946 HZ1 LYS 31 3HZ LYS 31 -21.079 -6.397 -2.842 947 HZ2 LYS 31 1HZ LYS 31 -22.139 -6.104 -4.133 948 HZ3 LYS 31 2HZ LYS 31 -22.209 -7.581 -3.297 949 H GLU 32 H GLU 32 -20.278 -3.152 -2.537 950 HA GLU 32 HA GLU 32 -19.894 -2.743 0.223 951 HB2 GLU 32 2HB GLU 32 -18.066 -4.122 -1.757 952 HB3 GLU 32 1HB GLU 32 -17.954 -4.262 -0.003 953 HG2 GLU 32 2HG GLU 32 -20.278 -5.157 0.030 954 HG3 GLU 32 1HG GLU 32 -20.291 -5.114 -1.721 955 H LEU 33 H LEU 33 -17.660 -1.838 -2.500 956 HA LEU 33 HA LEU 33 -15.770 -0.732 -0.723 957 HB2 LEU 33 2HB LEU 33 -14.876 0.576 -2.656 958 HB3 LEU 33 1HB LEU 33 -14.940 -1.151 -2.867 959 HG LEU 33 HG LEU 33 -17.364 -0.467 -3.909 960 HD11 LEU 33 1HD1 LEU 33 -17.032 1.469 -5.385 961 HD12 LEU 33 2HD1 LEU 33 -15.414 1.720 -4.751 962 HD13 LEU 33 3HD1 LEU 33 -16.822 1.974 -3.711 963 HD21 LEU 33 3HD2 LEU 33 -16.057 -1.958 -5.161 964 HD22 LEU 33 1HD2 LEU 33 -14.622 -0.939 -5.066 965 HD23 LEU 33 2HD2 LEU 33 -15.922 -0.505 -6.164 966 H LYS 34 H LYS 34 -18.670 0.606 -2.180 967 HA LYS 34 HA LYS 34 -18.168 3.283 -1.545 968 HB2 LYS 34 2HB LYS 34 -20.190 2.497 -2.781 969 HB3 LYS 34 1HB LYS 34 -20.802 1.798 -1.286 970 HG2 LYS 34 2HG LYS 34 -21.882 3.902 -1.442 971 HG3 LYS 34 1HG LYS 34 -20.579 4.165 -0.286 972 HD2 LYS 34 2HD LYS 34 -19.186 5.169 -2.027 973 HD3 LYS 34 1HD LYS 34 -20.407 4.803 -3.241 974 HE2 LYS 34 2HE LYS 34 -20.233 7.097 -1.491 975 HE3 LYS 34 1HE LYS 34 -21.377 6.805 -2.800 976 HZ1 LYS 34 3HZ LYS 34 -21.669 5.604 -0.105 977 HZ2 LYS 34 1HZ LYS 34 -22.825 5.674 -1.344 978 HZ3 LYS 34 2HZ LYS 34 -22.364 7.095 -0.533 979 H GLU 35 H GLU 35 -19.184 0.519 0.439 980 HA GLU 35 HA GLU 35 -19.609 2.130 2.787 981 HB2 GLU 35 2HB GLU 35 -19.333 -0.843 2.383 982 HB3 GLU 35 1HB GLU 35 -19.712 -0.091 3.932 983 HG2 GLU 35 2HG GLU 35 -21.693 0.987 2.887 984 HG3 GLU 35 1HG GLU 35 -21.327 0.154 1.377 985 H LEU 36 H LEU 36 -16.902 0.093 1.614 986 HA LEU 36 HA LEU 36 -15.423 0.222 4.029 987 HB2 LEU 36 2HB LEU 36 -15.078 -1.314 1.975 988 HB3 LEU 36 1HB LEU 36 -14.129 0.014 1.319 989 HG LEU 36 HG LEU 36 -13.604 -1.378 3.982 990 HD11 LEU 36 1HD1 LEU 36 -11.623 -1.491 1.781 991 HD12 LEU 36 2HD1 LEU 36 -13.096 -2.418 1.524 992 HD13 LEU 36 3HD1 LEU 36 -12.101 -2.721 2.947 993 HD21 LEU 36 3HD2 LEU 36 -12.680 0.712 4.332 994 HD22 LEU 36 1HD2 LEU 36 -12.355 0.989 2.623 995 HD23 LEU 36 2HD2 LEU 36 -11.334 -0.099 3.554 996 H LEU 37 H LEU 37 -15.178 2.288 1.067 997 HA LEU 37 HA LEU 37 -13.021 3.801 2.122 998 HB2 LEU 37 2HB LEU 37 -15.063 4.481 0.007 999 HB3 LEU 37 1HB LEU 37 -13.785 5.594 0.478 1000 HG LEU 37 HG LEU 37 -13.343 4.053 -1.551 1001 HD11 LEU 37 1HD1 LEU 37 -11.286 3.825 0.654 1002 HD12 LEU 37 2HD1 LEU 37 -11.617 5.349 -0.166 1003 HD13 LEU 37 3HD1 LEU 37 -11.012 3.971 -1.080 1004 HD21 LEU 37 3HD2 LEU 37 -12.775 2.071 0.651 1005 HD22 LEU 37 1HD2 LEU 37 -12.613 1.813 -1.081 1006 HD23 LEU 37 2HD2 LEU 37 -14.204 2.017 -0.365 1007 H GLN 38 H GLN 38 -16.537 4.317 2.252 1008 HA GLN 38 HA GLN 38 -16.397 6.814 3.569 1009 HB2 GLN 38 2HB GLN 38 -18.578 4.728 3.521 1010 HB3 GLN 38 1HB GLN 38 -18.762 6.338 4.217 1011 HG2 GLN 38 2HG GLN 38 -18.126 7.331 2.028 1012 HG3 GLN 38 1HG GLN 38 -18.046 5.714 1.337 1013 HE21 GLN 38 1HE2 GLN 38 -20.488 5.527 3.573 1014 HE22 GLN 38 2HE2 GLN 38 -21.809 5.918 2.581 1015 H THR 39 H THR 39 -16.524 3.491 4.835 1016 HA THR 39 HA THR 39 -16.818 4.320 7.554 1017 HB THR 39 HB THR 39 -16.267 2.005 8.117 1018 HG1 THR 39 1HG THR 39 -15.279 0.737 6.744 1019 HG21 THR 39 3HG2 THR 39 -18.471 1.853 7.577 1020 HG22 THR 39 1HG2 THR 39 -17.886 1.017 6.141 1021 HG23 THR 39 2HG2 THR 39 -18.266 2.737 6.066 1022 H GLU 40 H GLU 40 -14.022 3.547 5.523 1023 HA GLU 40 HA GLU 40 -12.222 4.038 7.770 1024 HB2 GLU 40 2HB GLU 40 -11.726 3.104 4.949 1025 HB3 GLU 40 1HB GLU 40 -10.456 3.424 6.123 1026 HG2 GLU 40 2HG GLU 40 -12.730 1.485 6.588 1027 HG3 GLU 40 1HG GLU 40 -11.123 1.015 6.043 1028 H LEU 41 H LEU 41 -12.631 5.300 4.446 1029 HA LEU 41 HA LEU 41 -11.106 7.689 5.266 1030 HB2 LEU 41 2HB LEU 41 -11.884 6.843 2.469 1031 HB3 LEU 41 1HB LEU 41 -10.770 8.127 2.910 1032 HG LEU 41 HG LEU 41 -10.378 5.146 3.298 1033 HD11 LEU 41 1HD1 LEU 41 -8.847 5.268 1.579 1034 HD12 LEU 41 2HD1 LEU 41 -8.424 6.944 1.926 1035 HD13 LEU 41 3HD1 LEU 41 -9.918 6.573 1.075 1036 HD21 LEU 41 3HD2 LEU 41 -8.852 7.495 4.423 1037 HD22 LEU 41 1HD2 LEU 41 -8.034 5.975 4.070 1038 HD23 LEU 41 2HD2 LEU 41 -9.353 6.004 5.235 1039 H SER 42 H SER 42 -11.893 9.729 5.099 1040 HA SER 42 HA SER 42 -14.779 9.954 4.454 1041 HB2 SER 42 2HB SER 42 -14.989 11.628 6.121 1042 HB3 SER 42 1HB SER 42 -14.053 10.339 6.872 1043 HG SER 42 HG SER 42 -13.358 12.790 6.777 1044 H GLY 43 H GLY 43 -12.003 12.146 4.826 1045 HA2 GLY 43 2HA GLY 43 -12.876 14.087 3.029 1046 HA3 GLY 43 1HA GLY 43 -11.212 13.858 3.534 1047 H PHE 44 H PHE 44 -10.848 11.207 2.357 1048 HA PHE 44 HA PHE 44 -10.008 12.005 -0.200 1049 HB2 PHE 44 2HB PHE 44 -10.475 9.257 0.957 1050 HB3 PHE 44 1HB PHE 44 -9.756 9.528 -0.628 1051 HD1 PHE 44 1HD PHE 44 -7.583 10.659 -0.859 1052 HD2 PHE 44 2HD PHE 44 -9.236 9.771 3.015 1053 HE1 PHE 44 1HE PHE 44 -5.373 11.067 0.185 1054 HE2 PHE 44 2HE PHE 44 -7.025 10.179 4.048 1055 HZ PHE 44 HZ PHE 44 -5.093 10.826 2.636 1056 H LEU 45 H LEU 45 -12.816 9.919 0.620 1057 HA LEU 45 HA LEU 45 -13.749 9.969 -2.109 1058 HB2 LEU 45 2HB LEU 45 -14.586 8.655 0.396 1059 HB3 LEU 45 1HB LEU 45 -15.929 9.129 -0.637 1060 HG LEU 45 HG LEU 45 -15.000 6.796 -1.062 1061 HD11 LEU 45 1HD1 LEU 45 -15.613 8.959 -2.961 1062 HD12 LEU 45 2HD1 LEU 45 -16.208 7.298 -2.903 1063 HD13 LEU 45 3HD1 LEU 45 -14.670 7.651 -3.688 1064 HD21 LEU 45 3HD2 LEU 45 -12.853 6.452 -1.720 1065 HD22 LEU 45 1HD2 LEU 45 -12.532 8.018 -0.982 1066 HD23 LEU 45 2HD2 LEU 45 -12.807 7.894 -2.723 1067 H ASP 46 H ASP 46 -14.567 11.658 0.839 1068 HA ASP 46 HA ASP 46 -16.882 12.925 -0.054 1069 HB2 ASP 46 2HB ASP 46 -16.113 12.834 2.310 1070 HB3 ASP 46 1HB ASP 46 -14.878 14.030 1.919 1071 H ALA 47 H ALA 47 -13.510 13.774 -0.571 1072 HA ALA 47 HA ALA 47 -13.789 16.454 -1.258 1073 HB1 ALA 47 1HB ALA 47 -11.856 14.344 -2.206 1074 HB2 ALA 47 2HB ALA 47 -11.601 15.578 -0.973 1075 HB3 ALA 47 3HB ALA 47 -11.719 16.039 -2.671 1076 H GLN 48 H GLN 48 -14.426 13.589 -3.228 1077 HA GLN 48 HA GLN 48 -14.537 14.920 -5.724 1078 HB2 GLN 48 2HB GLN 48 -16.126 12.487 -4.851 1079 HB3 GLN 48 1HB GLN 48 -15.873 13.026 -6.510 1080 HG2 GLN 48 2HG GLN 48 -13.750 12.032 -4.585 1081 HG3 GLN 48 1HG GLN 48 -14.297 11.254 -6.061 1082 HE21 GLN 48 1HE2 GLN 48 -11.806 13.080 -4.860 1083 HE22 GLN 48 2HE2 GLN 48 -11.279 13.810 -6.303 1084 H LYS 49 H LYS 49 -16.851 14.461 -3.150 1085 HA LYS 49 HA LYS 49 -18.846 15.440 -2.643 1086 HB2 LYS 49 2HB LYS 49 -17.873 17.504 -4.625 1087 HB3 LYS 49 1HB LYS 49 -19.257 17.711 -3.551 1088 HG2 LYS 49 2HG LYS 49 -17.754 17.301 -1.600 1089 HG3 LYS 49 1HG LYS 49 -16.385 17.234 -2.709 1090 HD2 LYS 49 2HD LYS 49 -16.959 19.539 -3.490 1091 HD3 LYS 49 1HD LYS 49 -18.226 19.601 -2.262 1092 HE2 LYS 49 2HE LYS 49 -15.277 19.164 -1.705 1093 HE3 LYS 49 1HE LYS 49 -16.142 20.682 -1.470 1094 HZ1 LYS 49 3HZ LYS 49 -16.428 19.864 0.588 1095 HZ2 LYS 49 1HZ LYS 49 -16.199 18.252 0.112 1096 HZ3 LYS 49 2HZ LYS 49 -17.705 19.001 -0.127 1097 H ASP 50 H ASP 50 -18.899 13.406 -4.686 1098 HA ASP 50 HA ASP 50 -21.436 14.187 -5.948 1099 HB2 ASP 50 2HB ASP 50 -19.098 12.992 -7.452 1100 HB3 ASP 50 1HB ASP 50 -20.739 13.073 -8.079 1101 H VAL 51 H VAL 51 -22.845 12.447 -6.324 1102 HA VAL 51 HA VAL 51 -22.438 10.178 -4.606 1103 HB VAL 51 HB VAL 51 -24.637 9.480 -5.220 1104 HG11 VAL 51 1HG1 VAL 51 -25.823 11.279 -4.400 1105 HG12 VAL 51 2HG1 VAL 51 -24.983 12.443 -5.422 1106 HG13 VAL 51 3HG1 VAL 51 -24.187 11.791 -3.989 1107 HG21 VAL 51 3HG2 VAL 51 -24.371 11.403 -7.555 1108 HG22 VAL 51 1HG2 VAL 51 -25.875 10.614 -7.085 1109 HG23 VAL 51 2HG2 VAL 51 -24.508 9.649 -7.637 1110 H ASP 52 H ASP 52 -22.138 10.814 -8.028 1111 HA ASP 52 HA ASP 52 -21.858 8.018 -8.747 1112 HB2 ASP 52 2HB ASP 52 -21.466 10.575 -10.313 1113 HB3 ASP 52 1HB ASP 52 -21.287 8.961 -10.998 1114 H ALA 53 H ALA 53 -19.878 10.175 -7.214 1115 HA ALA 53 HA ALA 53 -17.411 9.943 -8.514 1116 HB1 ALA 53 1HB ALA 53 -16.473 10.257 -6.155 1117 HB2 ALA 53 2HB ALA 53 -18.151 10.290 -5.613 1118 HB3 ALA 53 3HB ALA 53 -17.567 11.505 -6.745 1119 H VAL 54 H VAL 54 -19.006 7.782 -6.195 1120 HA VAL 54 HA VAL 54 -16.820 6.061 -5.762 1121 HB VAL 54 HB VAL 54 -19.021 6.087 -4.507 1122 HG11 VAL 54 1HG1 VAL 54 -20.909 4.951 -5.432 1123 HG12 VAL 54 2HG1 VAL 54 -19.956 4.295 -6.759 1124 HG13 VAL 54 3HG1 VAL 54 -20.340 6.015 -6.716 1125 HG21 VAL 54 3HG2 VAL 54 -17.657 4.284 -3.919 1126 HG22 VAL 54 1HG2 VAL 54 -17.657 3.625 -5.556 1127 HG23 VAL 54 2HG2 VAL 54 -19.080 3.443 -4.533 1128 H ASP 55 H ASP 55 -19.411 6.009 -8.207 1129 HA ASP 55 HA ASP 55 -18.626 3.591 -9.437 1130 HB2 ASP 55 2HB ASP 55 -20.818 4.767 -9.779 1131 HB3 ASP 55 1HB ASP 55 -19.968 5.950 -10.769 1132 H LYS 56 H LYS 56 -17.809 6.987 -10.122 1133 HA LYS 56 HA LYS 56 -16.190 6.450 -12.376 1134 HB2 LYS 56 2HB LYS 56 -16.082 8.738 -10.405 1135 HB3 LYS 56 1HB LYS 56 -15.207 8.693 -11.936 1136 HG2 LYS 56 2HG LYS 56 -17.444 8.304 -13.076 1137 HG3 LYS 56 1HG LYS 56 -18.207 8.669 -11.529 1138 HD2 LYS 56 2HD LYS 56 -16.293 10.533 -12.963 1139 HD3 LYS 56 1HD LYS 56 -18.049 10.657 -13.052 1140 HE2 LYS 56 2HE LYS 56 -18.052 10.798 -10.515 1141 HE3 LYS 56 1HE LYS 56 -16.300 10.983 -10.604 1142 HZ1 LYS 56 3HZ LYS 56 -16.815 13.144 -10.776 1143 HZ2 LYS 56 1HZ LYS 56 -18.397 12.850 -11.311 1144 HZ3 LYS 56 2HZ LYS 56 -17.104 12.772 -12.409 1145 H VAL 57 H VAL 57 -15.451 6.591 -8.916 1146 HA VAL 57 HA VAL 57 -12.642 6.411 -9.174 1147 HB VAL 57 HB VAL 57 -14.498 5.591 -6.932 1148 HG11 VAL 57 1HG1 VAL 57 -12.507 4.305 -6.625 1149 HG12 VAL 57 2HG1 VAL 57 -12.336 5.711 -5.574 1150 HG13 VAL 57 3HG1 VAL 57 -11.478 5.652 -7.114 1151 HG21 VAL 57 3HG2 VAL 57 -14.091 8.074 -7.758 1152 HG22 VAL 57 1HG2 VAL 57 -12.569 7.891 -6.886 1153 HG23 VAL 57 2HG2 VAL 57 -14.102 7.702 -6.032 1154 H MET 58 H MET 58 -15.129 3.899 -8.710 1155 HA MET 58 HA MET 58 -13.270 1.781 -8.567 1156 HB2 MET 58 2HB MET 58 -15.044 0.374 -8.312 1157 HB3 MET 58 1HB MET 58 -15.789 1.899 -7.866 1158 HG2 MET 58 2HG MET 58 -17.381 1.308 -9.370 1159 HG3 MET 58 1HG MET 58 -16.233 1.845 -10.583 1160 HE1 MET 58 3HE MET 58 -17.299 -0.678 -8.251 1161 HE2 MET 58 1HE MET 58 -16.716 -2.255 -8.797 1162 HE3 MET 58 2HE MET 58 -18.212 -1.592 -9.448 1163 H LYS 59 H LYS 59 -14.799 3.256 -11.412 1164 HA LYS 59 HA LYS 59 -14.286 1.161 -13.222 1165 HB2 LYS 59 2HB LYS 59 -14.291 4.121 -13.720 1166 HB3 LYS 59 1HB LYS 59 -14.292 2.870 -14.966 1167 HG2 LYS 59 2HG LYS 59 -16.362 2.058 -13.274 1168 HG3 LYS 59 1HG LYS 59 -16.499 3.816 -13.259 1169 HD2 LYS 59 2HD LYS 59 -16.277 2.119 -15.719 1170 HD3 LYS 59 1HD LYS 59 -17.801 2.768 -15.096 1171 HE2 LYS 59 2HE LYS 59 -16.464 5.068 -15.188 1172 HE3 LYS 59 1HE LYS 59 -15.521 4.211 -16.409 1173 HZ1 LYS 59 3HZ LYS 59 -17.268 5.268 -17.544 1174 HZ2 LYS 59 1HZ LYS 59 -18.429 4.767 -16.414 1175 HZ3 LYS 59 2HZ LYS 59 -17.714 3.631 -17.456 1176 H GLU 60 H GLU 60 -12.216 3.831 -12.117 1177 HA GLU 60 HA GLU 60 -10.043 3.292 -13.858 1178 HB2 GLU 60 2HB GLU 60 -10.328 5.403 -12.573 1179 HB3 GLU 60 1HB GLU 60 -9.965 4.520 -11.093 1180 HG2 GLU 60 2HG GLU 60 -7.771 3.856 -12.067 1181 HG3 GLU 60 1HG GLU 60 -8.130 4.841 -13.482 1182 H LEU 61 H LEU 61 -10.908 2.156 -10.646 1183 HA LEU 61 HA LEU 61 -8.497 0.756 -10.153 1184 HB2 LEU 61 2HB LEU 61 -11.230 0.242 -8.975 1185 HB3 LEU 61 1HB LEU 61 -9.704 -0.345 -8.331 1186 HG LEU 61 HG LEU 61 -10.588 2.543 -8.521 1187 HD11 LEU 61 1HD1 LEU 61 -9.799 1.073 -6.033 1188 HD12 LEU 61 2HD1 LEU 61 -11.420 0.857 -6.694 1189 HD13 LEU 61 3HD1 LEU 61 -10.873 2.461 -6.215 1190 HD21 LEU 61 3HD2 LEU 61 -8.263 2.728 -8.845 1191 HD22 LEU 61 1HD2 LEU 61 -7.922 1.296 -7.859 1192 HD23 LEU 61 2HD2 LEU 61 -8.417 2.796 -7.104 1193 H ASP 62 H ASP 62 -11.510 -0.197 -11.693 1194 HA ASP 62 HA ASP 62 -10.829 -2.966 -11.637 1195 HB2 ASP 62 2HB ASP 62 -13.144 -2.019 -11.952 1196 HB3 ASP 62 1HB ASP 62 -12.671 -1.617 -13.603 1197 H GLU 63 H GLU 63 -8.562 -2.733 -12.357 1198 HA GLU 63 HA GLU 63 -7.927 -2.019 -15.060 1199 HB2 GLU 63 2HB GLU 63 -6.185 -2.258 -13.314 1200 HB3 GLU 63 1HB GLU 63 -6.545 -3.981 -13.200 1201 HG2 GLU 63 2HG GLU 63 -5.967 -4.261 -15.576 1202 HG3 GLU 63 1HG GLU 63 -5.576 -2.553 -15.683 1203 H ASN 64 H ASN 64 -8.918 -4.749 -13.333 1204 HA ASN 64 HA ASN 64 -8.704 -6.810 -15.145 1205 HB2 ASN 64 2HB ASN 64 -9.043 -6.998 -12.765 1206 HB3 ASN 64 1HB ASN 64 -10.601 -6.218 -12.900 1207 HD21 ASN 64 1HD2 ASN 64 -9.001 -9.043 -14.493 1208 HD22 ASN 64 2HD2 ASN 64 -10.348 -10.059 -14.304 1209 H GLY 65 H GLY 65 -11.315 -4.431 -14.698 1210 HA2 GLY 65 2HA GLY 65 -12.813 -3.694 -16.338 1211 HA3 GLY 65 1HA GLY 65 -12.289 -5.011 -17.378 1212 H ASP 66 H ASP 66 -13.084 -6.040 -14.224 1213 HA ASP 66 HA ASP 66 -15.482 -7.347 -15.252 1214 HB2 ASP 66 2HB ASP 66 -15.389 -8.653 -13.179 1215 HB3 ASP 66 1HB ASP 66 -13.823 -8.655 -13.988 1216 H GLY 67 H GLY 67 -15.047 -4.381 -14.076 1217 HA2 GLY 67 2HA GLY 67 -16.496 -2.807 -13.215 1218 HA3 GLY 67 1HA GLY 67 -17.770 -4.021 -13.324 1219 H GLU 68 H GLU 68 -15.400 -5.484 -11.707 1220 HA GLU 68 HA GLU 68 -16.364 -4.658 -9.024 1221 HB2 GLU 68 2HB GLU 68 -17.139 -6.900 -9.878 1222 HB3 GLU 68 1HB GLU 68 -15.451 -7.405 -9.885 1223 HG2 GLU 68 2HG GLU 68 -15.295 -6.915 -7.481 1224 HG3 GLU 68 1HG GLU 68 -16.978 -6.415 -7.474 1225 H VAL 69 H VAL 69 -14.814 -4.405 -7.414 1226 HA VAL 69 HA VAL 69 -12.126 -3.986 -8.496 1227 HB VAL 69 HB VAL 69 -13.325 -3.157 -5.854 1228 HG11 VAL 69 1HG1 VAL 69 -10.843 -3.320 -5.875 1229 HG12 VAL 69 2HG1 VAL 69 -11.425 -1.669 -5.663 1230 HG13 VAL 69 3HG1 VAL 69 -10.822 -2.195 -7.235 1231 HG21 VAL 69 3HG2 VAL 69 -13.275 -0.885 -6.993 1232 HG22 VAL 69 1HG2 VAL 69 -14.512 -2.014 -7.542 1233 HG23 VAL 69 2HG2 VAL 69 -13.052 -1.767 -8.505 1234 H ASP 70 H ASP 70 -10.367 -5.166 -7.941 1235 HA ASP 70 HA ASP 70 -10.816 -7.401 -6.077 1236 HB2 ASP 70 2HB ASP 70 -10.029 -7.860 -8.414 1237 HB3 ASP 70 1HB ASP 70 -8.522 -7.050 -8.002 1238 H PHE 71 H PHE 71 -9.119 -8.065 -4.653 1239 HA PHE 71 HA PHE 71 -8.349 -6.178 -2.791 1240 HB2 PHE 71 2HB PHE 71 -8.348 -8.754 -2.718 1241 HB3 PHE 71 1HB PHE 71 -6.761 -8.663 -3.457 1242 HD1 PHE 71 1HD PHE 71 -6.493 -5.841 -1.554 1243 HD2 PHE 71 2HD PHE 71 -7.038 -10.062 -1.000 1244 HE1 PHE 71 1HE PHE 71 -5.457 -5.679 0.683 1245 HE2 PHE 71 2HE PHE 71 -6.015 -9.883 1.238 1246 HZ PHE 71 HZ PHE 71 -5.230 -7.700 2.072 1247 H GLN 72 H GLN 72 -6.436 -7.442 -5.559 1248 HA GLN 72 HA GLN 72 -4.076 -5.978 -4.965 1249 HB2 GLN 72 2HB GLN 72 -5.172 -6.956 -7.618 1250 HB3 GLN 72 1HB GLN 72 -3.544 -6.318 -7.383 1251 HG2 GLN 72 2HG GLN 72 -3.073 -8.078 -5.746 1252 HG3 GLN 72 1HG GLN 72 -4.699 -8.709 -5.912 1253 HE21 GLN 72 1HE2 GLN 72 -2.502 -10.371 -6.432 1254 HE22 GLN 72 2HE2 GLN 72 -2.431 -10.696 -8.092 1255 H GLU 73 H GLU 73 -6.964 -5.161 -6.878 1256 HA GLU 73 HA GLU 73 -6.041 -2.703 -7.928 1257 HB2 GLU 73 2HB GLU 73 -8.832 -3.626 -7.230 1258 HB3 GLU 73 1HB GLU 73 -8.466 -2.238 -8.239 1259 HG2 GLU 73 2HG GLU 73 -7.312 -3.751 -9.848 1260 HG3 GLU 73 1HG GLU 73 -7.752 -5.128 -8.842 1261 H TYR 74 H TYR 74 -7.825 -3.584 -5.028 1262 HA TYR 74 HA TYR 74 -8.278 -1.022 -3.924 1263 HB2 TYR 74 2HB TYR 74 -9.432 -3.110 -3.245 1264 HB3 TYR 74 1HB TYR 74 -7.925 -3.694 -2.540 1265 HD1 TYR 74 1HD TYR 74 -10.651 -1.236 -2.255 1266 HD2 TYR 74 2HD TYR 74 -7.045 -2.753 -0.487 1267 HE1 TYR 74 1HE TYR 74 -11.168 -0.025 -0.156 1268 HE2 TYR 74 2HE TYR 74 -7.562 -1.536 1.611 1269 HH TYR 74 HH TYR 74 -9.716 -0.670 2.733 1270 H VAL 75 H VAL 75 -5.748 -3.373 -3.605 1271 HA VAL 75 HA VAL 75 -4.265 -2.156 -1.561 1272 HB VAL 75 HB VAL 75 -4.012 -4.526 -3.124 1273 HG11 VAL 75 1HG1 VAL 75 -2.486 -3.532 -4.680 1274 HG12 VAL 75 2HG1 VAL 75 -1.564 -4.560 -3.590 1275 HG13 VAL 75 3HG1 VAL 75 -1.545 -2.822 -3.384 1276 HG21 VAL 75 3HG2 VAL 75 -2.114 -4.982 -1.477 1277 HG22 VAL 75 1HG2 VAL 75 -3.699 -4.627 -0.788 1278 HG23 VAL 75 2HG2 VAL 75 -2.440 -3.385 -0.815 1279 H VAL 76 H VAL 76 -3.949 -1.880 -5.127 1280 HA VAL 76 HA VAL 76 -1.815 0.005 -4.835 1281 HB VAL 76 HB VAL 76 -2.091 0.536 -7.179 1282 HG11 VAL 76 1HG1 VAL 76 -2.651 -2.420 -6.910 1283 HG12 VAL 76 2HG1 VAL 76 -1.134 -1.719 -6.345 1284 HG13 VAL 76 3HG1 VAL 76 -1.579 -1.606 -8.050 1285 HG21 VAL 76 3HG2 VAL 76 -4.534 -1.224 -7.200 1286 HG22 VAL 76 1HG2 VAL 76 -3.934 -0.209 -8.500 1287 HG23 VAL 76 2HG2 VAL 76 -4.649 0.525 -7.066 1288 H LEU 77 H LEU 77 -5.382 0.309 -4.905 1289 HA LEU 77 HA LEU 77 -5.472 3.109 -5.194 1290 HB2 LEU 77 2HB LEU 77 -7.523 1.828 -5.206 1291 HB3 LEU 77 1HB LEU 77 -7.237 1.268 -3.569 1292 HG LEU 77 HG LEU 77 -7.413 3.688 -2.801 1293 HD11 LEU 77 1HD1 LEU 77 -8.041 5.415 -4.157 1294 HD12 LEU 77 2HD1 LEU 77 -8.956 4.389 -5.242 1295 HD13 LEU 77 3HD1 LEU 77 -7.207 4.474 -5.383 1296 HD21 LEU 77 3HD2 LEU 77 -9.739 2.284 -4.107 1297 HD22 LEU 77 1HD2 LEU 77 -9.929 3.703 -3.078 1298 HD23 LEU 77 2HD2 LEU 77 -9.243 2.217 -2.418 1299 H VAL 78 H VAL 78 -5.281 1.246 -2.115 1300 HA VAL 78 HA VAL 78 -5.097 3.657 -0.597 1301 HB VAL 78 HB VAL 78 -4.393 2.302 1.320 1302 HG11 VAL 78 1HG1 VAL 78 -6.748 1.566 -0.357 1303 HG12 VAL 78 2HG1 VAL 78 -6.679 2.359 1.220 1304 HG13 VAL 78 3HG1 VAL 78 -6.420 0.619 1.096 1305 HG21 VAL 78 3HG2 VAL 78 -3.003 0.647 0.025 1306 HG22 VAL 78 1HG2 VAL 78 -4.501 -0.100 -0.534 1307 HG23 VAL 78 2HG2 VAL 78 -4.108 -0.087 1.180 1308 H ALA 79 H ALA 79 -2.637 1.545 -2.021 1309 HA ALA 79 HA ALA 79 -0.467 2.802 -0.624 1310 HB1 ALA 79 1HB ALA 79 0.889 1.408 -1.792 1311 HB2 ALA 79 2HB ALA 79 0.029 1.649 -3.318 1312 HB3 ALA 79 3HB ALA 79 -0.629 0.581 -2.090 1313 H ALA 80 H ALA 80 -1.762 3.281 -3.904 1314 HA ALA 80 HA ALA 80 0.034 5.330 -4.637 1315 HB1 ALA 80 1HB ALA 80 -2.743 4.624 -5.606 1316 HB2 ALA 80 2HB ALA 80 -1.196 4.225 -6.360 1317 HB3 ALA 80 3HB ALA 80 -1.762 5.898 -6.334 1318 H LEU 81 H LEU 81 -3.143 5.334 -3.024 1319 HA LEU 81 HA LEU 81 -3.326 8.175 -2.930 1320 HB2 LEU 81 2HB LEU 81 -4.727 5.933 -1.566 1321 HB3 LEU 81 1HB LEU 81 -4.803 7.524 -0.809 1322 HG LEU 81 HG LEU 81 -5.685 8.512 -2.874 1323 HD11 LEU 81 1HD1 LEU 81 -5.823 5.767 -4.108 1324 HD12 LEU 81 2HD1 LEU 81 -4.471 6.848 -4.408 1325 HD13 LEU 81 3HD1 LEU 81 -6.098 7.322 -4.872 1326 HD21 LEU 81 3HD2 LEU 81 -7.193 5.983 -2.122 1327 HD22 LEU 81 1HD2 LEU 81 -7.871 7.366 -2.976 1328 HD23 LEU 81 2HD2 LEU 81 -7.327 7.545 -1.312 1329 H THR 82 H THR 82 -1.743 5.760 -0.864 1330 HA THR 82 HA THR 82 -1.218 7.490 1.317 1331 HB THR 82 HB THR 82 0.509 5.218 0.312 1332 HG1 THR 82 1HG THR 82 -0.801 3.909 1.475 1333 HG21 THR 82 3HG2 THR 82 0.684 5.131 2.985 1334 HG22 THR 82 1HG2 THR 82 0.396 6.859 2.797 1335 HG23 THR 82 2HG2 THR 82 1.779 6.103 2.004 1336 H VAL 83 H VAL 83 0.837 6.663 -1.510 1337 HA VAL 83 HA VAL 83 2.893 8.499 -0.752 1338 HB VAL 83 HB VAL 83 3.350 6.702 -2.383 1339 HG11 VAL 83 1HG1 VAL 83 1.155 7.046 -3.654 1340 HG12 VAL 83 2HG1 VAL 83 2.574 6.762 -4.622 1341 HG13 VAL 83 3HG1 VAL 83 1.942 8.398 -4.448 1342 HG21 VAL 83 3HG2 VAL 83 3.824 9.281 -3.843 1343 HG22 VAL 83 1HG2 VAL 83 4.938 7.945 -3.544 1344 HG23 VAL 83 2HG2 VAL 83 4.533 9.060 -2.240 1345 H ALA 84 H ALA 84 0.001 8.863 -2.749 1346 HA ALA 84 HA ALA 84 0.589 11.485 -3.670 1347 HB1 ALA 84 1HB ALA 84 -2.155 10.307 -3.216 1348 HB2 ALA 84 2HB ALA 84 -1.151 9.918 -4.613 1349 HB3 ALA 84 3HB ALA 84 -1.699 11.575 -4.355 1350 H CYS 85 H CHC 85 -0.756 10.167 -0.744 1351 HA CYS 85 HA CHC 85 -1.889 12.564 0.280 1352 HB2 CYS 85 2HB CHC 85 -2.389 10.215 1.081 1353 HB3 CYS 85 1HB CHC 85 -0.818 10.232 1.881 1354 H ASN 86 H ASN 86 1.178 10.841 1.036 1355 HA ASN 86 HA ASN 86 2.192 12.862 2.720 1356 HB2 ASN 86 2HB ASN 86 3.221 10.594 2.395 1357 HB3 ASN 86 1HB ASN 86 3.828 11.151 0.836 1358 HD21 ASN 86 1HD2 ASN 86 3.916 12.015 4.334 1359 HD22 ASN 86 2HD2 ASN 86 5.462 12.711 4.270 1360 H ASN 87 H ASN 87 2.316 12.434 -0.795 1361 HA ASN 87 HA ASN 87 3.947 14.669 -1.432 1362 HB2 ASN 87 2HB ASN 87 1.676 13.380 -2.971 1363 HB3 ASN 87 1HB ASN 87 2.812 14.547 -3.643 1364 HD21 ASN 87 1HD2 ASN 87 2.625 11.893 -4.698 1365 HD22 ASN 87 2HD2 ASN 87 4.069 11.075 -4.341 1366 H PHE 88 H PHE 88 0.435 14.389 -0.878 1367 HA PHE 88 HA PHE 88 -0.018 17.089 -1.609 1368 HB2 PHE 88 2HB PHE 88 -1.853 15.409 -1.378 1369 HB3 PHE 88 1HB PHE 88 -1.611 15.408 0.370 1370 HD1 PHE 88 1HD PHE 88 -2.658 17.459 -2.533 1371 HD2 PHE 88 2HD PHE 88 -2.365 17.235 1.746 1372 HE1 PHE 88 1HE PHE 88 -4.107 19.463 -2.329 1373 HE2 PHE 88 2HE PHE 88 -3.812 19.238 1.951 1374 HZ PHE 88 HZ PHE 88 -4.683 20.352 -0.086 1375 H PHE 89 H PHE 89 0.846 15.549 1.488 1376 HA PHE 89 HA PHE 89 0.509 17.855 3.081 1377 HB2 PHE 89 2HB PHE 89 0.759 15.562 3.978 1378 HB3 PHE 89 1HB PHE 89 2.457 15.583 3.502 1379 HD1 PHE 89 1HD PHE 89 -0.074 17.116 5.732 1380 HD2 PHE 89 2HD PHE 89 4.096 16.846 4.736 1381 HE1 PHE 89 1HE PHE 89 0.505 18.289 7.839 1382 HE2 PHE 89 2HE PHE 89 4.675 18.019 6.842 1383 HZ PHE 89 HZ PHE 89 2.880 18.740 8.394 1384 H TRP 90 H TRP 90 3.658 16.486 1.910 1385 HA TRP 90 HA TRP 90 5.054 18.903 2.612 1386 HB2 TRP 90 2HB TRP 90 6.241 16.757 2.455 1387 HB3 TRP 90 1HB TRP 90 5.965 16.751 0.706 1388 HD1 TRP 90 HD TRP 90 6.923 18.873 -0.656 1389 HE1 TRP 90 1HE TRP 90 9.038 20.273 -0.295 1390 HE3 TRP 90 3HE TRP 90 7.926 17.657 4.190 1391 HZ2 TRP 90 2HZ TRP 90 10.935 20.807 1.793 1392 HZ3 TRP 90 3HZ TRP 90 9.892 18.627 5.346 1393 HH2 TRP 90 HH TRP 90 11.396 20.199 4.155 1394 H GLU 91 H GLU 91 3.841 17.589 -0.374 1395 HA GLU 91 HA GLU 91 4.557 20.007 -1.859 1396 HB2 GLU 91 2HB GLU 91 3.709 17.236 -2.648 1397 HB3 GLU 91 1HB GLU 91 3.649 18.520 -3.793 1398 HG2 GLU 91 2HG GLU 91 6.092 18.936 -3.313 1399 HG3 GLU 91 1HG GLU 91 6.054 17.541 -2.235 1400 H ASN 92 H ASN 92 3.042 21.222 -3.006 1401 HA ASN 92 HA ASN 92 0.271 20.992 -2.010 1402 HB2 ASN 92 2HB ASN 92 1.759 23.319 -3.249 1403 HB3 ASN 92 1HB ASN 92 0.063 23.353 -2.768 1404 HD21 ASN 92 1HD2 ASN 92 1.979 25.103 -1.557 1405 HD22 ASN 92 2HD2 ASN 92 2.167 24.645 0.066 1406 H SER 93 H SER 93 -1.418 20.720 -3.378 1407 HA SER 93 HA SER 93 -0.968 19.649 -5.960 1408 HB2 SER 93 2HB SER 93 -2.935 18.994 -4.735 1409 HB3 SER 93 1HB SER 93 -3.480 20.665 -4.616 1410 HG SER 93 HG SER 93 -2.959 19.614 -7.152 1411 H1 HCS 201 1HT CHC 85 -0.614 -11.245 10.282 1412 H2 HCS 201 2HT CHC 85 -1.425 -12.627 10.846 1413 H HCS 201 3HT CHC 85 -1.833 -11.954 9.341 1414 HCA HCS 201 HH CHC 85 -0.169 -14.030 9.671 1415 HB2 HCS 201 1HZ CHC 85 -1.253 -13.158 7.576 1416 HB3 HCS 201 2HZ CHC 85 0.421 -13.667 7.348 1417 HG2 HCS 201 1HE CHC 85 1.191 -11.370 7.454 1418 HG3 HCS 201 2HE CHC 85 -0.420 -10.805 7.896 1419 H1 HCS 201 1HT CHC 85 -1.585 12.298 8.877 1420 H2 HCS 201 2HT CHC 85 -0.904 13.743 9.456 1421 H HCS 201 3HT CHC 85 -0.175 12.915 8.164 1422 HCA HCS 201 HH CHC 85 -1.846 14.995 7.884 1423 HB2 HCS 201 1HZ CHC 85 -0.327 13.914 6.194 1424 HB3 HCS 201 2HZ CHC 85 -1.900 14.375 5.541 1425 HG2 HCS 201 1HE CHC 85 -2.702 12.094 5.717 1426 HG3 HCS 201 2HE CHC 85 -1.241 11.600 6.571 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -9.826 10.840 11.933 2 HA2 GLY 1 2HA GLY 1 -8.101 9.485 11.154 3 HA3 GLY 1 1HA GLY 1 -7.710 9.406 12.870 4 H SER 2 H SER 2 -9.469 7.826 10.255 5 HA SER 2 HA SER 2 -10.296 5.554 11.769 6 HB2 SER 2 2HB SER 2 -10.983 4.628 9.694 7 HB3 SER 2 1HB SER 2 -11.261 6.360 9.556 8 HG SER 2 HG SER 2 -9.730 6.489 8.102 9 H GLU 3 H GLU 3 -9.520 3.322 11.341 10 HA GLU 3 HA GLU 3 -6.788 3.052 11.936 11 HB2 GLU 3 2HB GLU 3 -8.780 1.051 10.860 12 HB3 GLU 3 1HB GLU 3 -7.168 0.623 11.425 13 HG2 GLU 3 2HG GLU 3 -7.695 1.611 13.627 14 HG3 GLU 3 1HG GLU 3 -9.325 1.978 13.062 15 H LEU 4 H LEU 4 -8.498 2.848 8.821 16 HA LEU 4 HA LEU 4 -6.382 1.704 7.362 17 HB2 LEU 4 2HB LEU 4 -8.831 2.234 6.660 18 HB3 LEU 4 1HB LEU 4 -8.210 3.826 6.237 19 HG LEU 4 HG LEU 4 -6.940 1.270 5.220 20 HD11 LEU 4 1HD1 LEU 4 -9.330 1.292 4.575 21 HD12 LEU 4 2HD1 LEU 4 -8.249 1.440 3.192 22 HD13 LEU 4 3HD1 LEU 4 -9.092 2.860 3.803 23 HD21 LEU 4 3HD2 LEU 4 -6.263 4.025 4.913 24 HD22 LEU 4 1HD2 LEU 4 -6.822 3.439 3.353 25 HD23 LEU 4 2HD2 LEU 4 -5.510 2.616 4.183 26 H GLU 5 H GLU 5 -7.157 5.080 8.189 27 HA GLU 5 HA GLU 5 -4.966 6.220 6.786 28 HB2 GLU 5 2HB GLU 5 -6.643 7.265 9.069 29 HB3 GLU 5 1HB GLU 5 -5.340 8.198 8.336 30 HG2 GLU 5 2HG GLU 5 -7.716 7.060 6.831 31 HG3 GLU 5 1HG GLU 5 -7.553 8.741 7.333 32 H THR 6 H THR 6 -5.331 4.928 10.055 33 HA THR 6 HA THR 6 -2.896 5.898 11.087 34 HB THR 6 HB THR 6 -4.187 3.218 11.673 35 HG1 THR 6 1HG THR 6 -4.689 5.842 12.574 36 HG21 THR 6 3HG2 THR 6 -2.105 4.923 13.009 37 HG22 THR 6 1HG2 THR 6 -2.098 3.184 12.720 38 HG23 THR 6 2HG2 THR 6 -3.128 3.863 13.979 39 H ALA 7 H ALA 7 -3.742 3.065 9.180 40 HA ALA 7 HA ALA 7 -1.154 1.875 9.137 41 HB1 ALA 7 1HB ALA 7 -3.497 0.955 8.365 42 HB2 ALA 7 2HB ALA 7 -2.028 0.402 7.566 43 HB3 ALA 7 3HB ALA 7 -3.030 1.638 6.811 44 H MET 8 H MET 8 -2.816 4.079 6.893 45 HA MET 8 HA MET 8 -0.779 4.244 4.942 46 HB2 MET 8 2HB MET 8 -2.887 6.229 5.851 47 HB3 MET 8 1HB MET 8 -1.898 6.450 4.409 48 HG2 MET 8 2HG MET 8 -2.756 4.347 3.468 49 HG3 MET 8 1HG MET 8 -3.720 4.060 4.903 50 HE1 MET 8 3HE MET 8 -3.097 5.931 1.745 51 HE2 MET 8 1HE MET 8 -3.090 7.411 2.714 52 HE3 MET 8 2HE MET 8 -4.391 7.110 1.568 53 H GLU 9 H GLU 9 -1.359 6.072 7.916 54 HA GLU 9 HA GLU 9 0.813 7.872 7.610 55 HB2 GLU 9 2HB GLU 9 -0.667 6.942 10.079 56 HB3 GLU 9 1HB GLU 9 0.561 8.208 10.084 57 HG2 GLU 9 2HG GLU 9 -0.769 9.487 8.428 58 HG3 GLU 9 1HG GLU 9 -2.012 8.244 8.478 59 H THR 10 H THR 10 0.503 4.605 8.984 60 HA THR 10 HA THR 10 3.048 4.581 10.227 61 HB THR 10 HB THR 10 1.557 2.266 9.007 62 HG1 THR 10 1HG THR 10 0.686 2.051 11.083 63 HG21 THR 10 3HG2 THR 10 2.839 0.913 10.599 64 HG22 THR 10 1HG2 THR 10 3.621 2.364 11.225 65 HG23 THR 10 2HG2 THR 10 3.943 1.832 9.572 66 H LEU 11 H LEU 11 1.946 3.686 6.940 67 HA LEU 11 HA LEU 11 4.472 2.742 6.056 68 HB2 LEU 11 2HB LEU 11 2.408 4.181 4.372 69 HB3 LEU 11 1HB LEU 11 3.653 3.084 3.793 70 HG LEU 11 HG LEU 11 1.249 2.390 5.491 71 HD11 LEU 11 1HD1 LEU 11 0.614 2.538 3.220 72 HD12 LEU 11 2HD1 LEU 11 0.888 0.819 3.501 73 HD13 LEU 11 3HD1 LEU 11 2.110 1.782 2.670 74 HD21 LEU 11 3HD2 LEU 11 2.170 -0.003 5.068 75 HD22 LEU 11 1HD2 LEU 11 2.862 0.952 6.379 76 HD23 LEU 11 2HD2 LEU 11 3.718 0.800 4.833 77 H ILE 12 H ILE 12 2.956 5.940 6.059 78 HA ILE 12 HA ILE 12 5.068 7.281 4.723 79 HB ILE 12 HB ILE 12 3.095 8.322 6.764 80 HG12 ILE 12 2HG1 ILE 12 3.124 8.580 3.747 81 HG13 ILE 12 1HG1 ILE 12 2.194 7.363 4.593 82 HG21 ILE 12 1HG2 ILE 12 3.712 10.521 5.504 83 HG22 ILE 12 2HG2 ILE 12 5.187 9.658 5.069 84 HG23 ILE 12 3HG2 ILE 12 4.795 9.929 6.767 85 HD11 ILE 12 3HD1 ILE 12 0.789 8.977 5.599 86 HD12 ILE 12 1HD1 ILE 12 1.002 9.572 3.950 87 HD13 ILE 12 2HD1 ILE 12 1.925 10.286 5.276 88 H ASN 13 H ASN 13 4.481 6.706 8.167 89 HA ASN 13 HA ASN 13 6.664 8.160 9.155 90 HB2 ASN 13 2HB ASN 13 5.205 5.783 10.293 91 HB3 ASN 13 1HB ASN 13 6.370 6.753 11.193 92 HD21 ASN 13 1HD2 ASN 13 3.636 6.603 12.018 93 HD22 ASN 13 2HD2 ASN 13 2.921 8.125 11.785 94 H VAL 14 H VAL 14 6.495 4.709 8.184 95 HA VAL 14 HA VAL 14 9.184 4.276 9.098 96 HB VAL 14 HB VAL 14 9.063 2.051 8.161 97 HG11 VAL 14 1HG1 VAL 14 6.353 2.729 9.321 98 HG12 VAL 14 2HG1 VAL 14 7.829 2.672 10.282 99 HG13 VAL 14 3HG1 VAL 14 7.245 1.217 9.476 100 HG21 VAL 14 3HG2 VAL 14 6.785 1.387 7.073 101 HG22 VAL 14 1HG2 VAL 14 7.998 2.174 6.060 102 HG23 VAL 14 2HG2 VAL 14 6.643 3.096 6.692 103 H PHE 15 H PHE 15 7.744 4.938 5.890 104 HA PHE 15 HA PHE 15 10.164 4.646 4.440 105 HB2 PHE 15 2HB PHE 15 8.013 4.847 3.292 106 HB3 PHE 15 1HB PHE 15 7.835 6.500 3.891 107 HD1 PHE 15 1HD PHE 15 10.172 4.319 1.936 108 HD2 PHE 15 2HD PHE 15 8.748 8.292 2.715 109 HE1 PHE 15 1HE PHE 15 11.557 5.190 0.078 110 HE2 PHE 15 2HE PHE 15 10.124 9.155 0.846 111 HZ PHE 15 HZ PHE 15 11.532 7.602 -0.475 112 H HIS 16 H HIS 16 8.644 7.427 5.986 113 HA HIS 16 HA HIS 16 10.732 9.251 5.412 114 HB2 HIS 16 2HB HIS 16 8.454 9.980 6.083 115 HB3 HIS 16 1HB HIS 16 8.737 9.311 7.690 116 HD1 HIS 16 1HD HIS 16 10.235 10.635 9.288 117 HD2 HIS 16 2HD HIS 16 10.035 12.322 5.481 118 HE1 HIS 16 1HE HIS 16 11.322 12.916 9.458 119 HE2 HIS 16 2HE HIS 16 11.208 13.956 7.144 120 H ALA 17 H ALA 17 10.194 6.938 7.985 121 HA ALA 17 HA ALA 17 12.111 7.930 9.754 122 HB1 ALA 17 1HB ALA 17 11.531 5.006 9.151 123 HB2 ALA 17 2HB ALA 17 10.579 6.015 10.249 124 HB3 ALA 17 3HB ALA 17 12.261 5.655 10.623 125 H HIS 18 H HIS 18 12.476 5.499 7.126 126 HA HIS 18 HA HIS 18 15.365 5.606 7.537 127 HB2 HIS 18 2HB HIS 18 13.605 4.056 5.692 128 HB3 HIS 18 1HB HIS 18 15.353 4.087 5.450 129 HD1 HIS 18 1HD HIS 18 16.623 2.408 6.806 130 HD2 HIS 18 2HD HIS 18 13.002 3.393 8.611 131 HE1 HIS 18 1HE HIS 18 16.492 1.072 8.953 132 HE2 HIS 18 2HE HIS 18 14.296 1.662 10.063 133 H SER 19 H SER 19 13.318 6.603 4.709 134 HA SER 19 HA SER 19 15.496 7.583 3.244 135 HB2 SER 19 2HB SER 19 13.210 7.358 2.289 136 HB3 SER 19 1HB SER 19 12.705 8.751 3.236 137 HG SER 19 HG SER 19 14.847 9.577 2.050 138 H GLY 20 H GLY 20 13.473 9.033 5.738 139 HA2 GLY 20 2HA GLY 20 14.598 11.642 5.726 140 HA3 GLY 20 1HA GLY 20 13.668 10.927 7.010 141 H LYS 21 H LYS 21 15.247 8.725 7.636 142 HA LYS 21 HA LYS 21 17.107 9.887 9.399 143 HB2 LYS 21 2HB LYS 21 16.157 7.665 9.739 144 HB3 LYS 21 1HB LYS 21 17.078 7.045 8.372 145 HG2 LYS 21 2HG LYS 21 19.163 7.641 9.565 146 HG3 LYS 21 1HG LYS 21 18.206 8.253 10.910 147 HD2 LYS 21 2HD LYS 21 18.869 5.981 11.434 148 HD3 LYS 21 1HD LYS 21 17.140 5.994 11.113 149 HE2 LYS 21 2HE LYS 21 18.771 5.559 8.696 150 HE3 LYS 21 1HE LYS 21 18.960 4.295 9.912 151 HZ1 LYS 21 3HZ LYS 21 16.946 4.426 8.139 152 HZ2 LYS 21 1HZ LYS 21 16.238 5.152 9.497 153 HZ3 LYS 21 2HZ LYS 21 16.879 3.583 9.614 154 H GLU 22 H GLU 22 17.702 8.394 6.176 155 HA GLU 22 HA GLU 22 20.399 9.639 6.320 156 HB2 GLU 22 2HB GLU 22 19.725 6.937 5.212 157 HB3 GLU 22 1HB GLU 22 21.278 7.738 4.986 158 HG2 GLU 22 2HG GLU 22 21.519 7.880 7.455 159 HG3 GLU 22 1HG GLU 22 20.010 7.002 7.619 160 H GLY 23 H GLY 23 21.341 10.405 4.475 161 HA2 GLY 23 2HA GLY 23 21.457 11.453 2.445 162 HA3 GLY 23 1HA GLY 23 20.547 10.077 1.847 163 H ASP 24 H ASP 24 19.100 10.884 0.536 164 HA ASP 24 HA ASP 24 17.737 13.384 1.003 165 HB2 ASP 24 2HB ASP 24 18.363 12.613 -1.274 166 HB3 ASP 24 1HB ASP 24 17.221 11.291 -1.102 167 H LYS 25 H LYS 25 15.904 13.662 2.001 168 HA LYS 25 HA LYS 25 14.709 11.714 3.550 169 HB2 LYS 25 2HB LYS 25 13.484 14.290 2.558 170 HB3 LYS 25 1HB LYS 25 12.918 13.341 3.939 171 HG2 LYS 25 2HG LYS 25 15.244 13.617 4.972 172 HG3 LYS 25 1HG LYS 25 15.611 14.761 3.687 173 HD2 LYS 25 2HD LYS 25 13.276 15.035 5.605 174 HD3 LYS 25 1HD LYS 25 14.820 15.865 5.785 175 HE2 LYS 25 2HE LYS 25 14.293 16.593 3.263 176 HE3 LYS 25 1HE LYS 25 12.634 16.338 3.808 177 HZ1 LYS 25 3HZ LYS 25 12.725 18.279 4.829 178 HZ2 LYS 25 1HZ LYS 25 14.339 18.498 4.354 179 HZ3 LYS 25 2HZ LYS 25 13.985 17.713 5.819 180 H TYR 26 H TYR 26 13.904 12.644 0.255 181 HA TYR 26 HA TYR 26 11.561 10.849 0.358 182 HB2 TYR 26 2HB TYR 26 12.303 12.996 -1.628 183 HB3 TYR 26 1HB TYR 26 10.875 11.967 -1.741 184 HD1 TYR 26 2HD TYR 26 9.158 12.021 0.093 185 HD2 TYR 26 1HD TYR 26 12.366 14.867 -0.139 186 HE1 TYR 26 2HE TYR 26 7.936 13.521 1.640 187 HE2 TYR 26 1HE TYR 26 11.143 16.369 1.411 188 HH TYR 26 HH TYR 26 8.367 15.330 3.163 189 H LYS 27 H LYS 27 14.542 10.041 -0.083 190 HA LYS 27 HA LYS 27 13.870 8.325 -2.390 191 HB2 LYS 27 2HB LYS 27 15.274 10.398 -3.104 192 HB3 LYS 27 1HB LYS 27 16.593 9.582 -2.291 193 HG2 LYS 27 2HG LYS 27 16.770 8.959 -4.537 194 HG3 LYS 27 1HG LYS 27 16.048 7.574 -3.724 195 HD2 LYS 27 2HD LYS 27 13.844 8.183 -4.573 196 HD3 LYS 27 1HD LYS 27 14.478 9.694 -5.216 197 HE2 LYS 27 2HE LYS 27 15.580 7.019 -6.073 198 HE3 LYS 27 1HE LYS 27 14.178 7.739 -6.866 199 HZ1 LYS 27 3HZ LYS 27 15.761 8.700 -8.119 200 HZ2 LYS 27 1HZ LYS 27 16.967 8.544 -6.937 201 HZ3 LYS 27 2HZ LYS 27 15.838 9.810 -6.835 202 H LEU 28 H LEU 28 14.794 6.238 -2.261 203 HA LEU 28 HA LEU 28 16.156 5.738 0.313 204 HB2 LEU 28 2HB LEU 28 13.724 4.957 -0.271 205 HB3 LEU 28 1HB LEU 28 14.536 3.738 -1.212 206 HG LEU 28 HG LEU 28 15.702 2.890 0.775 207 HD11 LEU 28 1HD1 LEU 28 15.993 4.570 2.374 208 HD12 LEU 28 2HD1 LEU 28 14.575 3.771 3.029 209 HD13 LEU 28 3HD1 LEU 28 14.388 5.256 2.106 210 HD21 LEU 28 3HD2 LEU 28 13.391 2.067 0.129 211 HD22 LEU 28 1HD2 LEU 28 12.718 3.210 1.288 212 HD23 LEU 28 2HD2 LEU 28 13.732 1.895 1.856 213 H SER 29 H SER 29 18.114 4.777 0.274 214 HA SER 29 HA SER 29 19.203 3.832 -2.293 215 HB2 SER 29 2HB SER 29 20.430 5.640 -1.147 216 HB3 SER 29 1HB SER 29 20.623 4.605 0.264 217 HG SER 29 HG SER 29 21.478 3.901 -2.348 218 H LYS 30 H LYS 30 20.696 1.965 -2.230 219 HA LYS 30 HA LYS 30 19.503 -0.363 -1.353 220 HB2 LYS 30 2HB LYS 30 21.443 -0.237 -2.918 221 HB3 LYS 30 1HB LYS 30 22.476 0.106 -1.534 222 HG2 LYS 30 2HG LYS 30 21.726 -2.064 -0.505 223 HG3 LYS 30 1HG LYS 30 20.837 -2.402 -1.989 224 HD2 LYS 30 2HD LYS 30 22.988 -3.495 -2.133 225 HD3 LYS 30 1HD LYS 30 22.989 -2.135 -3.259 226 HE2 LYS 30 2HE LYS 30 24.504 -0.930 -2.012 227 HE3 LYS 30 1HE LYS 30 23.916 -1.563 -0.468 228 HZ1 LYS 30 3HZ LYS 30 25.342 -3.287 -2.408 229 HZ2 LYS 30 1HZ LYS 30 25.111 -3.527 -0.745 230 HZ3 LYS 30 2HZ LYS 30 26.190 -2.331 -1.286 231 H LYS 31 H LYS 31 22.089 1.469 0.215 232 HA LYS 31 HA LYS 31 22.475 -0.267 2.364 233 HB2 LYS 31 2HB LYS 31 23.618 1.588 3.410 234 HB3 LYS 31 1HB LYS 31 23.949 1.650 1.678 235 HG2 LYS 31 2HG LYS 31 22.032 3.279 1.448 236 HG3 LYS 31 1HG LYS 31 21.937 3.307 3.209 237 HD2 LYS 31 2HD LYS 31 24.309 3.922 3.270 238 HD3 LYS 31 1HD LYS 31 24.277 4.157 1.529 239 HE2 LYS 31 2HE LYS 31 22.355 5.761 1.892 240 HE3 LYS 31 1HE LYS 31 22.652 5.627 3.626 241 HZ1 LYS 31 3HZ LYS 31 24.319 7.055 3.460 242 HZ2 LYS 31 1HZ LYS 31 23.925 7.301 1.829 243 HZ3 LYS 31 2HZ LYS 31 25.073 6.123 2.255 244 H GLU 32 H GLU 32 20.478 2.665 2.080 245 HA GLU 32 HA GLU 32 19.421 2.597 4.690 246 HB2 GLU 32 2HB GLU 32 18.125 3.688 2.179 247 HB3 GLU 32 1HB GLU 32 17.650 4.069 3.831 248 HG2 GLU 32 2HG GLU 32 19.947 4.962 4.233 249 HG3 GLU 32 1HG GLU 32 20.309 4.693 2.534 250 H LEU 33 H LEU 33 17.859 1.425 1.630 251 HA LEU 33 HA LEU 33 15.575 0.482 2.970 252 HB2 LEU 33 2HB LEU 33 15.139 -0.969 1.005 253 HB3 LEU 33 1HB LEU 33 15.392 0.709 0.625 254 HG LEU 33 HG LEU 33 17.943 -0.176 0.368 255 HD11 LEU 33 1HD1 LEU 33 17.977 -2.319 -0.743 256 HD12 LEU 33 2HD1 LEU 33 16.224 -2.418 -0.757 257 HD13 LEU 33 3HD1 LEU 33 17.107 -2.556 0.767 258 HD21 LEU 33 3HD2 LEU 33 15.636 0.179 -1.535 259 HD22 LEU 33 1HD2 LEU 33 17.147 -0.462 -2.172 260 HD23 LEU 33 2HD2 LEU 33 17.115 1.123 -1.392 261 H LYS 34 H LYS 34 18.685 -1.062 2.363 262 HA LYS 34 HA LYS 34 17.877 -3.631 3.108 263 HB2 LYS 34 2HB LYS 34 20.159 -3.070 2.256 264 HB3 LYS 34 1HB LYS 34 20.507 -2.286 3.796 265 HG2 LYS 34 2HG LYS 34 21.415 -4.464 4.018 266 HG3 LYS 34 1HG LYS 34 19.886 -4.539 4.888 267 HD2 LYS 34 2HD LYS 34 18.802 -5.603 2.981 268 HD3 LYS 34 1HD LYS 34 20.250 -5.403 2.008 269 HE2 LYS 34 2HE LYS 34 19.674 -7.347 4.177 270 HE3 LYS 34 1HE LYS 34 20.571 -7.567 2.681 271 HZ1 LYS 34 3HZ LYS 34 21.522 -6.094 5.076 272 HZ2 LYS 34 1HZ LYS 34 22.386 -6.278 3.628 273 HZ3 LYS 34 2HZ LYS 34 22.038 -7.637 4.587 274 H GLU 35 H GLU 35 18.604 -0.720 5.000 275 HA GLU 35 HA GLU 35 18.439 -2.106 7.520 276 HB2 GLU 35 2HB GLU 35 18.391 0.834 6.829 277 HB3 GLU 35 1HB GLU 35 18.460 0.185 8.467 278 HG2 GLU 35 2HG GLU 35 20.541 -1.027 7.893 279 HG3 GLU 35 1HG GLU 35 20.495 -0.312 6.284 280 H LEU 36 H LEU 36 16.156 -0.121 5.599 281 HA LEU 36 HA LEU 36 14.162 0.059 7.608 282 HB2 LEU 36 2HB LEU 36 14.381 1.368 5.387 283 HB3 LEU 36 1HB LEU 36 13.559 -0.001 4.654 284 HG LEU 36 HG LEU 36 12.463 1.736 6.916 285 HD11 LEU 36 1HD1 LEU 36 11.275 2.891 5.366 286 HD12 LEU 36 2HD1 LEU 36 11.076 1.502 4.306 287 HD13 LEU 36 3HD1 LEU 36 12.585 2.403 4.292 288 HD21 LEU 36 3HD2 LEU 36 11.467 -0.796 5.632 289 HD22 LEU 36 1HD2 LEU 36 10.316 0.415 6.182 290 HD23 LEU 36 2HD2 LEU 36 11.435 -0.307 7.325 291 H LEU 37 H LEU 37 14.510 -2.312 4.895 292 HA LEU 37 HA LEU 37 12.112 -3.673 5.572 293 HB2 LEU 37 2HB LEU 37 14.545 -4.602 4.045 294 HB3 LEU 37 1HB LEU 37 13.148 -5.635 4.319 295 HG LEU 37 HG LEU 37 13.244 -4.297 2.104 296 HD11 LEU 37 1HD1 LEU 37 10.862 -4.119 2.021 297 HD12 LEU 37 2HD1 LEU 37 10.751 -3.855 3.760 298 HD13 LEU 37 3HD1 LEU 37 11.208 -5.437 3.137 299 HD21 LEU 37 3HD2 LEU 37 12.502 -2.016 2.183 300 HD22 LEU 37 1HD2 LEU 37 13.877 -2.166 3.264 301 HD23 LEU 37 2HD2 LEU 37 12.252 -2.104 3.922 302 H GLN 38 H GLN 38 15.488 -4.180 6.567 303 HA GLN 38 HA GLN 38 14.990 -6.543 8.037 304 HB2 GLN 38 2HB GLN 38 17.157 -4.461 8.330 305 HB3 GLN 38 1HB GLN 38 17.128 -5.986 9.215 306 HG2 GLN 38 2HG GLN 38 17.144 -7.241 7.111 307 HG3 GLN 38 1HG GLN 38 17.101 -5.742 6.187 308 HE21 GLN 38 1HE2 GLN 38 19.261 -7.614 5.915 309 HE22 GLN 38 2HE2 GLN 38 20.669 -6.889 6.528 310 H THR 39 H THR 39 14.869 -3.111 8.989 311 HA THR 39 HA THR 39 14.457 -3.697 11.761 312 HB THR 39 HB THR 39 13.839 -1.335 11.968 313 HG1 THR 39 1HG THR 39 13.706 -1.581 9.176 314 HG21 THR 39 3HG2 THR 39 16.273 -2.233 10.515 315 HG22 THR 39 1HG2 THR 39 16.123 -1.360 12.039 316 HG23 THR 39 2HG2 THR 39 15.954 -0.500 10.510 317 H GLU 40 H GLU 40 12.279 -3.092 9.037 318 HA GLU 40 HA GLU 40 9.955 -3.339 10.789 319 HB2 GLU 40 2HB GLU 40 10.239 -2.745 7.844 320 HB3 GLU 40 1HB GLU 40 8.690 -2.920 8.658 321 HG2 GLU 40 2HG GLU 40 10.838 -0.934 9.448 322 HG3 GLU 40 1HG GLU 40 9.406 -0.541 8.503 323 H LEU 41 H LEU 41 11.241 -4.991 7.892 324 HA LEU 41 HA LEU 41 9.515 -7.292 8.559 325 HB2 LEU 41 2HB LEU 41 10.935 -6.746 5.946 326 HB3 LEU 41 1HB LEU 41 9.735 -7.989 6.258 327 HG LEU 41 HG LEU 41 9.292 -4.991 6.208 328 HD11 LEU 41 1HD1 LEU 41 7.675 -6.924 4.611 329 HD12 LEU 41 2HD1 LEU 41 9.345 -6.691 4.110 330 HD13 LEU 41 3HD1 LEU 41 8.248 -5.313 4.186 331 HD21 LEU 41 3HD2 LEU 41 6.813 -5.844 6.471 332 HD22 LEU 41 1HD2 LEU 41 7.808 -5.603 7.904 333 HD23 LEU 41 2HD2 LEU 41 7.575 -7.228 7.247 334 H SER 42 H SER 42 10.298 -9.326 8.784 335 HA SER 42 HA SER 42 13.252 -9.568 8.878 336 HB2 SER 42 2HB SER 42 12.872 -10.086 11.051 337 HB3 SER 42 1HB SER 42 11.147 -10.310 10.784 338 HG SER 42 HG SER 42 12.012 -12.293 11.280 339 H GLY 43 H GLY 43 10.442 -11.746 8.796 340 HA2 GLY 43 2HA GLY 43 11.695 -13.840 7.446 341 HA3 GLY 43 1HA GLY 43 9.961 -13.593 7.539 342 H PHE 44 H PHE 44 9.881 -11.075 6.050 343 HA PHE 44 HA PHE 44 9.633 -12.133 3.462 344 HB2 PHE 44 2HB PHE 44 9.857 -9.277 4.406 345 HB3 PHE 44 1HB PHE 44 9.509 -9.717 2.737 346 HD1 PHE 44 1HD PHE 44 7.419 -10.832 2.124 347 HD2 PHE 44 2HD PHE 44 8.194 -9.648 6.189 348 HE1 PHE 44 1HE PHE 44 5.025 -11.158 2.682 349 HE2 PHE 44 2HE PHE 44 5.802 -9.972 6.736 350 HZ PHE 44 HZ PHE 44 4.217 -10.726 4.986 351 H LEU 45 H LEU 45 12.209 -9.943 4.682 352 HA LEU 45 HA LEU 45 13.725 -10.242 2.243 353 HB2 LEU 45 2HB LEU 45 14.014 -8.712 4.756 354 HB3 LEU 45 1HB LEU 45 15.540 -9.267 4.079 355 HG LEU 45 HG LEU 45 14.743 -6.974 3.286 356 HD11 LEU 45 1HD1 LEU 45 15.728 -9.285 1.725 357 HD12 LEU 45 2HD1 LEU 45 16.360 -7.641 1.843 358 HD13 LEU 45 3HD1 LEU 45 15.040 -7.994 0.732 359 HD21 LEU 45 3HD2 LEU 45 12.996 -8.214 1.242 360 HD22 LEU 45 1HD2 LEU 45 12.802 -6.712 2.139 361 HD23 LEU 45 2HD2 LEU 45 12.319 -8.235 2.875 362 H ASP 46 H ASP 46 13.879 -11.606 5.467 363 HA ASP 46 HA ASP 46 16.291 -12.987 5.169 364 HB2 ASP 46 2HB ASP 46 15.088 -12.599 7.326 365 HB3 ASP 46 1HB ASP 46 13.928 -13.840 6.852 366 H ALA 47 H ALA 47 13.028 -13.824 4.195 367 HA ALA 47 HA ALA 47 13.312 -16.571 3.819 368 HB1 ALA 47 1HB ALA 47 11.135 -15.651 3.700 369 HB2 ALA 47 2HB ALA 47 11.486 -16.233 2.072 370 HB3 ALA 47 3HB ALA 47 11.603 -14.510 2.436 371 H GLN 48 H GLN 48 14.322 -13.918 1.730 372 HA GLN 48 HA GLN 48 14.713 -15.435 -0.616 373 HB2 GLN 48 2HB GLN 48 16.290 -13.005 0.276 374 HB3 GLN 48 1HB GLN 48 16.231 -13.675 -1.353 375 HG2 GLN 48 2HG GLN 48 13.913 -12.454 0.177 376 HG3 GLN 48 1HG GLN 48 14.700 -11.804 -1.251 377 HE21 GLN 48 1HE2 GLN 48 11.968 -13.419 -0.329 378 HE22 GLN 48 2HE2 GLN 48 11.630 -14.247 -1.776 379 H LYS 49 H LYS 49 16.647 -14.970 2.244 380 HA LYS 49 HA LYS 49 18.405 -16.144 3.111 381 HB2 LYS 49 2HB LYS 49 17.230 -18.150 2.213 382 HB3 LYS 49 1HB LYS 49 18.151 -17.976 0.720 383 HG2 LYS 49 2HG LYS 49 20.260 -18.140 2.015 384 HG3 LYS 49 1HG LYS 49 19.316 -18.393 3.484 385 HD2 LYS 49 2HD LYS 49 18.260 -20.391 2.395 386 HD3 LYS 49 1HD LYS 49 19.357 -20.175 1.031 387 HE2 LYS 49 2HE LYS 49 20.549 -21.704 2.320 388 HE3 LYS 49 1HE LYS 49 21.211 -20.179 2.907 389 HZ1 LYS 49 3HZ LYS 49 19.285 -21.986 4.197 390 HZ2 LYS 49 1HZ LYS 49 19.253 -20.333 4.574 391 HZ3 LYS 49 2HZ LYS 49 20.664 -21.240 4.849 392 H ASP 50 H ASP 50 18.583 -15.431 -0.363 393 HA ASP 50 HA ASP 50 21.432 -15.569 -0.478 394 HB2 ASP 50 2HB ASP 50 19.458 -14.169 -2.283 395 HB3 ASP 50 1HB ASP 50 21.190 -14.304 -2.598 396 H VAL 51 H VAL 51 22.965 -14.002 -0.340 397 HA VAL 51 HA VAL 51 22.395 -11.762 1.357 398 HB VAL 51 HB VAL 51 24.732 -11.297 1.289 399 HG11 VAL 51 1HG1 VAL 51 24.895 -14.254 0.944 400 HG12 VAL 51 2HG1 VAL 51 23.766 -13.652 2.161 401 HG13 VAL 51 3HG1 VAL 51 25.476 -13.236 2.260 402 HG21 VAL 51 3HG2 VAL 51 26.226 -12.491 -0.354 403 HG22 VAL 51 1HG2 VAL 51 25.141 -11.316 -1.094 404 HG23 VAL 51 2HG2 VAL 51 24.781 -13.038 -1.197 405 H ASP 52 H ASP 52 22.775 -12.235 -2.079 406 HA ASP 52 HA ASP 52 22.887 -9.381 -2.654 407 HB2 ASP 52 2HB ASP 52 22.757 -11.819 -4.442 408 HB3 ASP 52 1HB ASP 52 22.845 -10.162 -5.036 409 H ALA 53 H ALA 53 20.529 -11.290 -1.603 410 HA ALA 53 HA ALA 53 18.410 -11.114 -3.397 411 HB1 ALA 53 1HB ALA 53 16.965 -11.308 -1.409 412 HB2 ALA 53 2HB ALA 53 18.349 -10.952 -0.378 413 HB3 ALA 53 3HB ALA 53 18.324 -12.430 -1.336 414 H VAL 54 H VAL 54 19.585 -8.730 -1.035 415 HA VAL 54 HA VAL 54 17.454 -6.902 -1.294 416 HB VAL 54 HB VAL 54 19.309 -6.809 0.417 417 HG11 VAL 54 1HG1 VAL 54 21.442 -5.944 -0.173 418 HG12 VAL 54 2HG1 VAL 54 20.876 -5.404 -1.752 419 HG13 VAL 54 3HG1 VAL 54 21.092 -7.124 -1.436 420 HG21 VAL 54 3HG2 VAL 54 17.923 -4.891 0.292 421 HG22 VAL 54 1HG2 VAL 54 18.569 -4.433 -1.285 422 HG23 VAL 54 2HG2 VAL 54 19.562 -4.251 0.160 423 H ASP 55 H ASP 55 20.496 -7.258 -3.094 424 HA ASP 55 HA ASP 55 20.184 -5.017 -4.772 425 HB2 ASP 55 2HB ASP 55 21.610 -7.639 -5.163 426 HB3 ASP 55 1HB ASP 55 21.746 -6.287 -6.287 427 H LYS 56 H LYS 56 19.188 -8.412 -5.116 428 HA LYS 56 HA LYS 56 18.082 -8.129 -7.716 429 HB2 LYS 56 2HB LYS 56 17.230 -10.024 -5.510 430 HB3 LYS 56 1HB LYS 56 16.855 -10.192 -7.222 431 HG2 LYS 56 2HG LYS 56 19.661 -10.182 -6.068 432 HG3 LYS 56 1HG LYS 56 18.767 -11.632 -6.509 433 HD2 LYS 56 2HD LYS 56 18.576 -10.663 -8.855 434 HD3 LYS 56 1HD LYS 56 19.729 -9.427 -8.350 435 HE2 LYS 56 2HE LYS 56 21.048 -11.129 -9.350 436 HE3 LYS 56 1HE LYS 56 21.250 -11.341 -7.611 437 HZ1 LYS 56 3HZ LYS 56 20.660 -13.439 -8.031 438 HZ2 LYS 56 1HZ LYS 56 19.984 -13.068 -9.541 439 HZ3 LYS 56 2HZ LYS 56 19.074 -12.836 -8.123 440 H VAL 57 H VAL 57 16.809 -7.595 -4.483 441 HA VAL 57 HA VAL 57 14.107 -7.263 -5.196 442 HB VAL 57 HB VAL 57 15.707 -6.200 -2.867 443 HG11 VAL 57 1HG1 VAL 57 13.375 -5.903 -1.855 444 HG12 VAL 57 2HG1 VAL 57 12.752 -6.031 -3.500 445 HG13 VAL 57 3HG1 VAL 57 13.846 -4.716 -3.071 446 HG21 VAL 57 3HG2 VAL 57 15.019 -8.106 -1.738 447 HG22 VAL 57 1HG2 VAL 57 15.093 -8.758 -3.374 448 HG23 VAL 57 2HG2 VAL 57 13.544 -8.269 -2.692 449 H MET 58 H MET 58 16.709 -4.777 -4.822 450 HA MET 58 HA MET 58 14.877 -2.666 -5.350 451 HB2 MET 58 2HB MET 58 16.898 -1.273 -5.916 452 HB3 MET 58 1HB MET 58 16.831 -1.938 -4.289 453 HG2 MET 58 2HG MET 58 18.580 -3.392 -4.671 454 HG3 MET 58 1HG MET 58 18.233 -3.521 -6.394 455 HE1 MET 58 3HE MET 58 19.956 0.330 -4.496 456 HE2 MET 58 1HE MET 58 19.121 -0.959 -3.621 457 HE3 MET 58 2HE MET 58 18.236 0.082 -4.733 458 H LYS 59 H LYS 59 16.776 -4.642 -7.589 459 HA LYS 59 HA LYS 59 16.578 -2.921 -9.799 460 HB2 LYS 59 2HB LYS 59 16.625 -5.946 -9.831 461 HB3 LYS 59 1HB LYS 59 16.898 -4.907 -11.228 462 HG2 LYS 59 2HG LYS 59 18.600 -4.878 -8.741 463 HG3 LYS 59 1HG LYS 59 19.001 -5.682 -10.255 464 HD2 LYS 59 2HD LYS 59 18.391 -3.225 -11.224 465 HD3 LYS 59 1HD LYS 59 18.937 -2.772 -9.607 466 HE2 LYS 59 2HE LYS 59 20.967 -4.235 -10.034 467 HE3 LYS 59 1HE LYS 59 20.420 -4.304 -11.710 468 HZ1 LYS 59 3HZ LYS 59 20.714 -2.020 -11.980 469 HZ2 LYS 59 1HZ LYS 59 22.082 -2.494 -11.096 470 HZ3 LYS 59 2HZ LYS 59 20.788 -1.727 -10.307 471 H GLU 60 H GLU 60 14.257 -5.387 -8.665 472 HA GLU 60 HA GLU 60 12.479 -5.090 -10.867 473 HB2 GLU 60 2HB GLU 60 12.428 -7.000 -9.276 474 HB3 GLU 60 1HB GLU 60 11.825 -5.913 -8.029 475 HG2 GLU 60 2HG GLU 60 9.882 -5.368 -9.491 476 HG3 GLU 60 1HG GLU 60 10.466 -6.543 -10.663 477 H LEU 61 H LEU 61 12.700 -3.582 -7.715 478 HA LEU 61 HA LEU 61 10.330 -2.046 -7.906 479 HB2 LEU 61 2HB LEU 61 12.775 -1.570 -6.197 480 HB3 LEU 61 1HB LEU 61 11.206 -0.817 -5.967 481 HG LEU 61 HG LEU 61 11.811 -3.778 -5.730 482 HD11 LEU 61 1HD1 LEU 61 10.722 -2.087 -3.519 483 HD12 LEU 61 2HD1 LEU 61 12.432 -1.918 -3.914 484 HD13 LEU 61 3HD1 LEU 61 11.791 -3.488 -3.442 485 HD21 LEU 61 3HD2 LEU 61 9.582 -3.797 -6.446 486 HD22 LEU 61 1HD2 LEU 61 9.241 -2.209 -5.744 487 HD23 LEU 61 2HD2 LEU 61 9.385 -3.619 -4.714 488 H ASP 62 H ASP 62 13.622 -1.434 -8.883 489 HA ASP 62 HA ASP 62 13.267 1.374 -9.111 490 HB2 ASP 62 2HB ASP 62 15.460 0.282 -8.831 491 HB3 ASP 62 1HB ASP 62 15.313 -0.378 -10.462 492 H GLU 63 H GLU 63 11.521 1.865 -10.343 493 HA GLU 63 HA GLU 63 10.984 0.923 -12.975 494 HB2 GLU 63 2HB GLU 63 9.282 2.016 -11.640 495 HB3 GLU 63 1HB GLU 63 10.294 3.454 -11.467 496 HG2 GLU 63 2HG GLU 63 10.209 3.836 -13.868 497 HG3 GLU 63 1HG GLU 63 9.174 2.403 -14.084 498 H ASN 64 H ASN 64 12.483 3.716 -11.621 499 HA ASN 64 HA ASN 64 13.137 5.191 -13.872 500 HB2 ASN 64 2HB ASN 64 14.398 4.858 -11.204 501 HB3 ASN 64 1HB ASN 64 14.759 6.213 -12.270 502 HD21 ASN 64 1HD2 ASN 64 12.222 6.954 -13.148 503 HD22 ASN 64 2HD2 ASN 64 11.233 7.352 -11.827 504 H GLY 65 H GLY 65 14.871 2.570 -12.251 505 HA2 GLY 65 2HA GLY 65 16.533 1.187 -13.173 506 HA3 GLY 65 1HA GLY 65 16.654 2.286 -14.550 507 H ASP 66 H ASP 66 16.531 3.829 -11.547 508 HA ASP 66 HA ASP 66 19.281 4.728 -11.795 509 HB2 ASP 66 2HB ASP 66 18.647 6.367 -10.084 510 HB3 ASP 66 1HB ASP 66 17.470 6.345 -11.394 511 H GLY 67 H GLY 67 18.101 2.037 -10.481 512 HA2 GLY 67 2HA GLY 67 18.902 0.540 -8.928 513 HA3 GLY 67 1HA GLY 67 20.341 1.549 -8.832 514 H GLU 68 H GLU 68 17.899 3.598 -8.232 515 HA GLU 68 HA GLU 68 18.029 3.180 -5.295 516 HB2 GLU 68 2HB GLU 68 19.203 5.199 -6.253 517 HB3 GLU 68 1HB GLU 68 17.628 5.786 -6.775 518 HG2 GLU 68 2HG GLU 68 16.834 5.738 -4.443 519 HG3 GLU 68 1HG GLU 68 18.409 5.154 -3.924 520 H VAL 69 H VAL 69 16.147 3.314 -4.114 521 HA VAL 69 HA VAL 69 13.714 2.948 -5.737 522 HB VAL 69 HB VAL 69 14.281 2.280 -2.845 523 HG11 VAL 69 1HG1 VAL 69 12.067 1.259 -4.619 524 HG12 VAL 69 2HG1 VAL 69 11.863 2.608 -3.497 525 HG13 VAL 69 3HG1 VAL 69 12.261 1.004 -2.887 526 HG21 VAL 69 3HG2 VAL 69 14.150 0.431 -5.227 527 HG22 VAL 69 1HG2 VAL 69 14.624 0.026 -3.577 528 HG23 VAL 69 2HG2 VAL 69 15.657 1.062 -4.560 529 H ASP 70 H ASP 70 12.019 4.340 -5.648 530 HA ASP 70 HA ASP 70 12.280 6.630 -3.815 531 HB2 ASP 70 2HB ASP 70 10.806 7.835 -5.279 532 HB3 ASP 70 1HB ASP 70 12.054 7.080 -6.265 533 H PHE 71 H PHE 71 10.113 7.553 -3.133 534 HA PHE 71 HA PHE 71 8.915 5.895 -1.261 535 HB2 PHE 71 2HB PHE 71 8.907 8.463 -1.594 536 HB3 PHE 71 1HB PHE 71 7.515 8.189 -2.625 537 HD1 PHE 71 1HD PHE 71 6.804 5.670 -0.496 538 HD2 PHE 71 2HD PHE 71 7.341 9.923 -0.330 539 HE1 PHE 71 1HE PHE 71 5.337 5.773 1.489 540 HE2 PHE 71 2HE PHE 71 5.886 10.012 1.656 541 HZ PHE 71 HZ PHE 71 4.891 7.945 2.563 542 H GLN 72 H GLN 72 7.722 6.740 -4.552 543 HA GLN 72 HA GLN 72 5.275 5.323 -4.348 544 HB2 GLN 72 2HB GLN 72 6.946 6.015 -6.778 545 HB3 GLN 72 1HB GLN 72 5.300 5.379 -6.845 546 HG2 GLN 72 2HG GLN 72 4.497 7.294 -5.534 547 HG3 GLN 72 1HG GLN 72 6.123 7.932 -5.422 548 HE21 GLN 72 1HE2 GLN 72 4.084 9.482 -6.571 549 HE22 GLN 72 2HE2 GLN 72 4.374 9.633 -8.231 550 H GLU 73 H GLU 73 8.482 4.246 -5.494 551 HA GLU 73 HA GLU 73 7.661 1.686 -6.376 552 HB2 GLU 73 2HB GLU 73 10.309 2.735 -5.399 553 HB3 GLU 73 1HB GLU 73 10.107 1.132 -6.086 554 HG2 GLU 73 2HG GLU 73 9.287 2.164 -8.190 555 HG3 GLU 73 1HG GLU 73 9.536 3.759 -7.500 556 H TYR 74 H TYR 74 8.865 2.931 -3.308 557 HA TYR 74 HA TYR 74 8.982 0.500 -1.853 558 HB2 TYR 74 2HB TYR 74 10.059 2.621 -1.161 559 HB3 TYR 74 1HB TYR 74 8.469 3.321 -0.872 560 HD1 TYR 74 1HD TYR 74 10.927 0.819 0.264 561 HD2 TYR 74 2HD TYR 74 7.129 2.670 1.036 562 HE1 TYR 74 1HE TYR 74 10.914 -0.150 2.545 563 HE2 TYR 74 2HE TYR 74 7.117 1.693 3.314 564 HH TYR 74 HH TYR 74 9.186 -0.772 4.261 565 H VAL 75 H VAL 75 6.526 2.916 -2.343 566 HA VAL 75 HA VAL 75 4.595 1.952 -0.548 567 HB VAL 75 HB VAL 75 4.765 4.135 -2.362 568 HG11 VAL 75 1HG1 VAL 75 2.365 2.434 -2.999 569 HG12 VAL 75 2HG1 VAL 75 3.590 3.001 -4.116 570 HG13 VAL 75 3HG1 VAL 75 2.483 4.144 -3.363 571 HG21 VAL 75 3HG2 VAL 75 2.656 3.263 -0.388 572 HG22 VAL 75 1HG2 VAL 75 2.582 4.802 -1.246 573 HG23 VAL 75 2HG2 VAL 75 3.936 4.462 -0.167 574 H VAL 76 H VAL 76 5.026 1.267 -4.052 575 HA VAL 76 HA VAL 76 2.808 -0.544 -4.012 576 HB VAL 76 HB VAL 76 3.511 -1.321 -6.179 577 HG11 VAL 76 1HG1 VAL 76 2.582 1.075 -5.774 578 HG12 VAL 76 2HG1 VAL 76 3.286 0.708 -7.350 579 HG13 VAL 76 3HG1 VAL 76 4.220 1.608 -6.157 580 HG21 VAL 76 3HG2 VAL 76 5.631 -0.723 -7.175 581 HG22 VAL 76 1HG2 VAL 76 5.961 -1.475 -5.615 582 HG23 VAL 76 2HG2 VAL 76 6.038 0.271 -5.788 583 H LEU 77 H LEU 77 6.296 -0.898 -3.306 584 HA LEU 77 HA LEU 77 6.344 -3.712 -3.289 585 HB2 LEU 77 2HB LEU 77 8.401 -2.466 -3.001 586 HB3 LEU 77 1HB LEU 77 7.799 -1.731 -1.523 587 HG LEU 77 HG LEU 77 7.719 -4.068 -0.504 588 HD11 LEU 77 1HD1 LEU 77 8.589 -5.927 -1.514 589 HD12 LEU 77 2HD1 LEU 77 9.712 -5.014 -2.501 590 HD13 LEU 77 3HD1 LEU 77 8.023 -5.120 -2.966 591 HD21 LEU 77 3HD2 LEU 77 9.473 -2.711 0.218 592 HD22 LEU 77 1HD2 LEU 77 10.247 -2.701 -1.367 593 HD23 LEU 77 2HD2 LEU 77 10.306 -4.153 -0.367 594 H VAL 78 H VAL 78 5.562 -1.510 -0.554 595 HA VAL 78 HA VAL 78 4.988 -3.728 1.152 596 HB VAL 78 HB VAL 78 3.922 -2.153 2.703 597 HG11 VAL 78 1HG1 VAL 78 6.603 -1.598 1.502 598 HG12 VAL 78 2HG1 VAL 78 6.185 -2.273 3.078 599 HG13 VAL 78 3HG1 VAL 78 5.995 -0.546 2.782 600 HG21 VAL 78 3HG2 VAL 78 2.908 -0.643 0.956 601 HG22 VAL 78 1HG2 VAL 78 4.519 0.018 0.665 602 HG23 VAL 78 2HG2 VAL 78 3.760 0.206 2.238 603 H ALA 79 H ALA 79 2.949 -1.778 -0.997 604 HA ALA 79 HA ALA 79 0.489 -2.863 0.013 605 HB1 ALA 79 1HB ALA 79 0.627 -2.014 -2.832 606 HB2 ALA 79 2HB ALA 79 1.037 -0.815 -1.613 607 HB3 ALA 79 3HB ALA 79 -0.536 -1.594 -1.570 608 H ALA 80 H ALA 80 2.466 -3.712 -2.816 609 HA ALA 80 HA ALA 80 0.834 -5.822 -3.728 610 HB1 ALA 80 1HB ALA 80 2.958 -6.576 -4.889 611 HB2 ALA 80 2HB ALA 80 3.781 -5.239 -4.085 612 HB3 ALA 80 3HB ALA 80 2.467 -4.912 -5.218 613 H LEU 81 H LEU 81 3.555 -5.660 -1.432 614 HA LEU 81 HA LEU 81 3.630 -8.476 -1.005 615 HB2 LEU 81 2HB LEU 81 4.777 -6.110 0.391 616 HB3 LEU 81 1HB LEU 81 4.634 -7.606 1.310 617 HG LEU 81 HG LEU 81 5.920 -8.820 -0.373 618 HD11 LEU 81 1HD1 LEU 81 6.387 -6.242 -1.859 619 HD12 LEU 81 2HD1 LEU 81 5.109 -7.352 -2.326 620 HD13 LEU 81 3HD1 LEU 81 6.786 -7.876 -2.358 621 HD21 LEU 81 3HD2 LEU 81 8.088 -7.707 -0.089 622 HD22 LEU 81 1HD2 LEU 81 7.150 -7.618 1.402 623 HD23 LEU 81 2HD2 LEU 81 7.273 -6.206 0.352 624 H THR 82 H THR 82 1.697 -5.844 0.397 625 HA THR 82 HA THR 82 0.644 -7.330 2.568 626 HB THR 82 HB THR 82 -0.757 -5.184 0.955 627 HG1 THR 82 1HG THR 82 0.487 -4.533 3.311 628 HG21 THR 82 3HG2 THR 82 -1.526 -4.801 3.494 629 HG22 THR 82 1HG2 THR 82 -1.243 -6.539 3.566 630 HG23 THR 82 2HG2 THR 82 -2.394 -5.880 2.403 631 H VAL 83 H VAL 83 -0.694 -6.803 -0.717 632 HA VAL 83 HA VAL 83 -2.911 -8.557 -0.279 633 HB VAL 83 HB VAL 83 -2.937 -6.935 -2.144 634 HG11 VAL 83 1HG1 VAL 83 -0.513 -7.412 -2.819 635 HG12 VAL 83 2HG1 VAL 83 -1.658 -7.218 -4.114 636 HG13 VAL 83 3HG1 VAL 83 -1.127 -8.832 -3.644 637 HG21 VAL 83 3HG2 VAL 83 -4.200 -9.228 -2.058 638 HG22 VAL 83 1HG2 VAL 83 -3.101 -9.679 -3.365 639 HG23 VAL 83 2HG2 VAL 83 -4.194 -8.307 -3.563 640 H ALA 84 H ALA 84 0.355 -9.114 -1.481 641 HA ALA 84 HA ALA 84 -0.036 -11.813 -2.263 642 HB1 ALA 84 1HB ALA 84 1.900 -10.389 -2.935 643 HB2 ALA 84 2HB ALA 84 2.376 -11.957 -2.282 644 HB3 ALA 84 3HB ALA 84 2.510 -10.507 -1.284 645 H CYS 85 H CHC 85 0.611 -10.233 0.783 646 HA CYS 85 HA CHC 85 1.394 -12.558 2.228 647 HB2 CYS 85 2HB CHC 85 1.682 -10.035 2.837 648 HB3 CYS 85 1HB CHC 85 0.060 -10.191 3.508 649 H ASN 86 H ASN 86 -1.691 -10.691 2.159 650 HA ASN 86 HA ASN 86 -3.078 -12.558 3.754 651 HB2 ASN 86 2HB ASN 86 -3.930 -10.282 3.018 652 HB3 ASN 86 1HB ASN 86 -4.339 -11.038 1.477 653 HD21 ASN 86 1HD2 ASN 86 -6.457 -10.034 3.042 654 HD22 ASN 86 2HD2 ASN 86 -7.338 -11.329 3.697 655 H ASN 87 H ASN 87 -2.492 -12.440 0.240 656 HA ASN 87 HA ASN 87 -4.074 -14.699 -0.426 657 HB2 ASN 87 2HB ASN 87 -2.874 -13.074 -2.065 658 HB3 ASN 87 1HB ASN 87 -1.465 -14.102 -1.786 659 HD21 ASN 87 1HD2 ASN 87 -4.902 -14.351 -2.781 660 HD22 ASN 87 2HD2 ASN 87 -4.657 -15.702 -3.778 661 H PHE 88 H PHE 88 -0.766 -14.323 0.792 662 HA PHE 88 HA PHE 88 -0.049 -17.027 0.462 663 HB2 PHE 88 2HB PHE 88 1.569 -15.223 1.074 664 HB3 PHE 88 1HB PHE 88 0.857 -15.169 2.685 665 HD1 PHE 88 1HD PHE 88 2.748 -17.272 0.293 666 HD2 PHE 88 2HD PHE 88 1.282 -16.889 4.313 667 HE1 PHE 88 1HE PHE 88 4.171 -19.179 0.994 668 HE2 PHE 88 2HE PHE 88 2.705 -18.796 5.013 669 HZ PHE 88 HZ PHE 88 4.148 -19.942 3.354 670 H PHE 89 H PHE 89 -1.733 -15.319 3.091 671 HA PHE 89 HA PHE 89 -1.850 -17.533 4.856 672 HB2 PHE 89 2HB PHE 89 -2.240 -15.192 5.538 673 HB3 PHE 89 1HB PHE 89 -3.767 -15.206 4.654 674 HD1 PHE 89 1HD PHE 89 -1.919 -16.687 7.509 675 HD2 PHE 89 2HD PHE 89 -5.707 -16.331 5.515 676 HE1 PHE 89 1HE PHE 89 -3.044 -17.720 9.463 677 HE2 PHE 89 2HE PHE 89 -6.832 -17.364 7.469 678 HZ PHE 89 HZ PHE 89 -5.501 -18.059 9.443 679 H TRP 90 H TRP 90 -4.557 -16.216 2.817 680 HA TRP 90 HA TRP 90 -6.186 -18.534 3.337 681 HB2 TRP 90 2HB TRP 90 -7.193 -16.384 2.692 682 HB3 TRP 90 1HB TRP 90 -6.472 -16.548 1.084 683 HD1 TRP 90 HD TRP 90 -7.145 -18.770 -0.295 684 HE1 TRP 90 1HE TRP 90 -9.356 -20.061 -0.394 685 HE3 TRP 90 3HE TRP 90 -9.326 -17.042 3.974 686 HZ2 TRP 90 2HZ TRP 90 -11.765 -20.322 1.145 687 HZ3 TRP 90 3HZ TRP 90 -11.581 -17.827 4.637 688 HH2 TRP 90 HH TRP 90 -12.803 -19.462 3.230 689 H GLU 91 H GLU 91 -4.283 -17.502 0.613 690 HA GLU 91 HA GLU 91 -4.618 -20.054 -0.769 691 HB2 GLU 91 2HB GLU 91 -3.812 -17.299 -1.534 692 HB3 GLU 91 1HB GLU 91 -3.045 -18.575 -2.444 693 HG2 GLU 91 2HG GLU 91 -5.403 -19.495 -2.838 694 HG3 GLU 91 1HG GLU 91 -6.011 -18.027 -2.079 695 H ASN 92 H ASN 92 -2.901 -21.397 -1.295 696 HA ASN 92 HA ASN 92 -0.482 -21.032 0.354 697 HB2 ASN 92 2HB ASN 92 -1.887 -23.135 0.554 698 HB3 ASN 92 1HB ASN 92 -1.368 -23.538 -1.082 699 HD21 ASN 92 1HD2 ASN 92 -0.530 -25.393 0.656 700 HD22 ASN 92 2HD2 ASN 92 1.097 -25.188 1.093 701 H SER 93 H SER 93 1.322 -20.378 -0.607 702 HA SER 93 HA SER 93 1.511 -20.218 -3.482 703 HB2 SER 93 2HB SER 93 2.453 -18.449 -2.070 704 HB3 SER 93 1HB SER 93 3.548 -19.610 -1.325 705 HG SER 93 HG SER 93 3.836 -19.890 -3.910 706 H1 GLY 1 H GLY 1 6.641 -9.362 14.989 707 HA2 GLY 1 2HA GLY 1 5.164 -8.121 13.689 708 HA3 GLY 1 1HA GLY 1 4.385 -7.862 15.248 709 H SER 2 H SER 2 6.724 -6.551 12.959 710 HA SER 2 HA SER 2 7.205 -4.119 14.369 711 HB2 SER 2 2HB SER 2 8.367 -3.414 12.424 712 HB3 SER 2 1HB SER 2 8.647 -5.147 12.541 713 HG SER 2 HG SER 2 7.496 -5.453 10.795 714 H GLU 3 H GLU 3 6.578 -1.957 13.533 715 HA GLU 3 HA GLU 3 3.786 -1.659 13.445 716 HB2 GLU 3 2HB GLU 3 5.999 0.238 12.653 717 HB3 GLU 3 1HB GLU 3 4.306 0.706 12.778 718 HG2 GLU 3 2HG GLU 3 4.294 -0.033 15.135 719 HG3 GLU 3 1HG GLU 3 6.005 -0.437 15.008 720 H LEU 4 H LEU 4 6.176 -1.770 10.809 721 HA LEU 4 HA LEU 4 4.474 -0.818 8.784 722 HB2 LEU 4 2HB LEU 4 7.011 -1.389 8.732 723 HB3 LEU 4 1HB LEU 4 6.484 -3.025 8.351 724 HG LEU 4 HG LEU 4 5.520 -0.610 6.796 725 HD11 LEU 4 1HD1 LEU 4 7.993 -0.671 6.730 726 HD12 LEU 4 2HD1 LEU 4 7.262 -0.981 5.159 727 HD13 LEU 4 3HD1 LEU 4 7.921 -2.316 6.098 728 HD21 LEU 4 3HD2 LEU 4 4.897 -3.392 6.639 729 HD22 LEU 4 1HD2 LEU 4 5.811 -2.971 5.198 730 HD23 LEU 4 2HD2 LEU 4 4.353 -2.078 5.605 731 H GLU 5 H GLU 5 4.991 -4.073 10.127 732 HA GLU 5 HA GLU 5 3.171 -5.388 8.385 733 HB2 GLU 5 2HB GLU 5 4.258 -6.159 11.095 734 HB3 GLU 5 1HB GLU 5 3.151 -7.182 10.183 735 HG2 GLU 5 2HG GLU 5 5.826 -6.183 9.160 736 HG3 GLU 5 1HG GLU 5 5.528 -7.801 9.788 737 H THR 6 H THR 6 2.785 -3.747 11.490 738 HA THR 6 HA THR 6 0.165 -4.629 12.028 739 HB THR 6 HB THR 6 1.318 -1.886 12.606 740 HG1 THR 6 1HG THR 6 1.563 -4.391 13.873 741 HG21 THR 6 3HG2 THR 6 -1.040 -3.464 13.595 742 HG22 THR 6 1HG2 THR 6 -0.957 -1.765 13.126 743 HG23 THR 6 2HG2 THR 6 -0.258 -2.292 14.657 744 H ALA 7 H ALA 7 1.468 -2.010 10.072 745 HA ALA 7 HA ALA 7 -1.025 -0.863 9.304 746 HB1 ALA 7 1HB ALA 7 1.445 -0.004 9.002 747 HB2 ALA 7 2HB ALA 7 0.208 0.442 7.830 748 HB3 ALA 7 3HB ALA 7 1.342 -0.856 7.464 749 H MET 8 H MET 8 1.084 -3.276 7.758 750 HA MET 8 HA MET 8 -0.447 -3.676 5.418 751 HB2 MET 8 2HB MET 8 1.369 -5.525 6.999 752 HB3 MET 8 1HB MET 8 0.738 -5.911 5.399 753 HG2 MET 8 2HG MET 8 1.818 -3.912 4.462 754 HG3 MET 8 1HG MET 8 2.425 -3.459 6.042 755 HE1 MET 8 3HE MET 8 2.530 -5.668 3.046 756 HE2 MET 8 1HE MET 8 2.280 -7.034 4.141 757 HE3 MET 8 2HE MET 8 3.815 -6.842 3.302 758 H GLU 9 H GLU 9 -0.599 -5.168 8.627 759 HA GLU 9 HA GLU 9 -2.659 -7.020 8.017 760 HB2 GLU 9 2HB GLU 9 -1.787 -5.807 10.647 761 HB3 GLU 9 1HB GLU 9 -2.996 -7.083 10.503 762 HG2 GLU 9 2HG GLU 9 -1.332 -8.513 9.351 763 HG3 GLU 9 1HG GLU 9 -0.121 -7.255 9.554 764 H THR 10 H THR 10 -2.633 -3.642 9.096 765 HA THR 10 HA THR 10 -5.401 -3.491 9.676 766 HB THR 10 HB THR 10 -3.634 -1.306 8.592 767 HG1 THR 10 1HG THR 10 -3.269 -0.851 10.775 768 HG21 THR 10 3HG2 THR 10 -5.235 0.198 9.683 769 HG22 THR 10 1HG2 THR 10 -6.163 -1.186 10.264 770 HG23 THR 10 2HG2 THR 10 -6.081 -0.841 8.532 771 H LEU 11 H LEU 11 -3.551 -2.942 6.655 772 HA LEU 11 HA LEU 11 -5.791 -2.128 5.116 773 HB2 LEU 11 2HB LEU 11 -3.406 -3.706 4.120 774 HB3 LEU 11 1HB LEU 11 -4.477 -2.703 3.151 775 HG LEU 11 HG LEU 11 -2.538 -1.771 5.279 776 HD11 LEU 11 1HD1 LEU 11 -1.381 -2.187 3.253 777 HD12 LEU 11 2HD1 LEU 11 -1.681 -0.450 3.262 778 HD13 LEU 11 3HD1 LEU 11 -2.689 -1.513 2.280 779 HD21 LEU 11 3HD2 LEU 11 -3.299 0.540 4.347 780 HD22 LEU 11 1HD2 LEU 11 -4.311 -0.251 5.552 781 HD23 LEU 11 2HD2 LEU 11 -4.753 -0.315 3.842 782 H ILE 12 H ILE 12 -4.360 -5.288 5.811 783 HA ILE 12 HA ILE 12 -6.121 -6.792 4.172 784 HB ILE 12 HB ILE 12 -4.689 -7.581 6.715 785 HG12 ILE 12 2HG1 ILE 12 -4.020 -8.166 3.820 786 HG13 ILE 12 1HG1 ILE 12 -3.296 -6.852 4.724 787 HG21 ILE 12 1HG2 ILE 12 -5.025 -9.913 5.591 788 HG22 ILE 12 2HG2 ILE 12 -6.348 -9.119 4.735 789 HG23 ILE 12 3HG2 ILE 12 -6.363 -9.202 6.496 790 HD11 ILE 12 3HD1 ILE 12 -2.184 -8.329 6.197 791 HD12 ILE 12 1HD1 ILE 12 -2.015 -9.101 4.618 792 HD13 ILE 12 2HD1 ILE 12 -3.230 -9.680 5.761 793 H ASN 13 H ASN 13 -6.345 -5.843 7.574 794 HA ASN 13 HA ASN 13 -8.715 -7.210 8.179 795 HB2 ASN 13 2HB ASN 13 -7.529 -4.705 9.362 796 HB3 ASN 13 1HB ASN 13 -8.884 -5.587 10.064 797 HD21 ASN 13 1HD2 ASN 13 -6.415 -5.313 11.483 798 HD22 ASN 13 2HD2 ASN 13 -5.686 -6.842 11.587 799 H VAL 14 H VAL 14 -8.280 -3.880 6.907 800 HA VAL 14 HA VAL 14 -11.103 -3.386 7.119 801 HB VAL 14 HB VAL 14 -10.739 -1.273 6.001 802 HG11 VAL 14 1HG1 VAL 14 -8.382 -1.789 7.825 803 HG12 VAL 14 2HG1 VAL 14 -10.039 -1.646 8.406 804 HG13 VAL 14 3HG1 VAL 14 -9.264 -0.279 7.606 805 HG21 VAL 14 3HG2 VAL 14 -8.260 -0.703 5.407 806 HG22 VAL 14 1HG2 VAL 14 -9.215 -1.608 4.231 807 HG23 VAL 14 2HG2 VAL 14 -8.056 -2.439 5.257 808 H PHE 15 H PHE 15 -8.963 -4.371 4.425 809 HA PHE 15 HA PHE 15 -10.975 -4.269 2.428 810 HB2 PHE 15 2HB PHE 15 -8.620 -4.565 1.842 811 HB3 PHE 15 1HB PHE 15 -8.607 -6.141 2.640 812 HD1 PHE 15 1HD PHE 15 -10.398 -4.213 -0.029 813 HD2 PHE 15 2HD PHE 15 -9.245 -8.062 1.484 814 HE1 PHE 15 1HE PHE 15 -11.323 -5.298 -2.053 815 HE2 PHE 15 2HE PHE 15 -10.159 -9.139 -0.549 816 HZ PHE 15 HZ PHE 15 -11.201 -7.755 -2.322 817 H HIS 16 H HIS 16 -9.893 -6.848 4.576 818 HA HIS 16 HA HIS 16 -11.813 -8.750 3.733 819 HB2 HIS 16 2HB HIS 16 -9.763 -9.372 4.989 820 HB3 HIS 16 1HB HIS 16 -10.403 -8.537 6.405 821 HD1 HIS 16 1HD HIS 16 -12.249 -9.701 7.745 822 HD2 HIS 16 2HD HIS 16 -11.191 -11.785 4.293 823 HE1 HIS 16 1HE HIS 16 -13.375 -11.964 7.901 824 HE2 HIS 16 2HE HIS 16 -12.740 -13.246 5.803 825 H ALA 17 H ALA 17 -11.860 -6.166 6.095 826 HA ALA 17 HA ALA 17 -14.148 -6.985 7.466 827 HB1 ALA 17 1HB ALA 17 -13.406 -4.135 6.702 828 HB2 ALA 17 2HB ALA 17 -12.748 -5.009 8.095 829 HB3 ALA 17 3HB ALA 17 -14.466 -4.631 8.027 830 H HIS 18 H HIS 18 -13.859 -4.856 4.580 831 HA HIS 18 HA HIS 18 -16.766 -4.954 4.314 832 HB2 HIS 18 2HB HIS 18 -14.599 -3.586 2.774 833 HB3 HIS 18 1HB HIS 18 -16.245 -3.667 2.136 834 HD1 HIS 18 1HD HIS 18 -17.778 -1.871 2.970 835 HD2 HIS 18 2HD HIS 18 -14.690 -2.609 5.665 836 HE1 HIS 18 1HE HIS 18 -18.135 -0.310 4.934 837 HE2 HIS 18 2HE HIS 18 -16.266 -0.748 6.581 838 H SER 19 H SER 19 -14.130 -6.225 2.166 839 HA SER 19 HA SER 19 -15.921 -7.386 0.349 840 HB2 SER 19 2HB SER 19 -13.473 -7.237 -0.067 841 HB3 SER 19 1HB SER 19 -13.220 -8.512 1.117 842 HG SER 19 HG SER 19 -15.038 -9.489 -0.438 843 H GLY 20 H GLY 20 -14.552 -8.532 3.387 844 HA2 GLY 20 2HA GLY 20 -15.676 -11.141 3.394 845 HA3 GLY 20 1HA GLY 20 -15.061 -10.280 4.775 846 H LYS 21 H LYS 21 -16.714 -8.044 4.775 847 HA LYS 21 HA LYS 21 -18.949 -9.032 6.172 848 HB2 LYS 21 2HB LYS 21 -18.074 -6.775 6.482 849 HB3 LYS 21 1HB LYS 21 -18.645 -6.318 4.880 850 HG2 LYS 21 2HG LYS 21 -20.957 -6.808 5.612 851 HG3 LYS 21 1HG LYS 21 -20.348 -7.259 7.202 852 HD2 LYS 21 2HD LYS 21 -21.085 -4.953 7.308 853 HD3 LYS 21 1HD LYS 21 -19.330 -4.977 7.401 854 HE2 LYS 21 2HE LYS 21 -20.348 -4.828 4.639 855 HE3 LYS 21 1HE LYS 21 -20.798 -3.442 5.634 856 HZ1 LYS 21 3HZ LYS 21 -18.430 -3.737 4.403 857 HZ2 LYS 21 1HZ LYS 21 -18.065 -4.304 5.960 858 HZ3 LYS 21 2HZ LYS 21 -18.697 -2.740 5.751 859 H GLU 22 H GLU 22 -18.758 -7.904 2.757 860 HA GLU 22 HA GLU 22 -21.430 -9.160 2.405 861 HB2 GLU 22 2HB GLU 22 -20.483 -6.585 1.199 862 HB3 GLU 22 1HB GLU 22 -21.951 -7.426 0.706 863 HG2 GLU 22 2HG GLU 22 -22.760 -7.303 3.051 864 HG3 GLU 22 1HG GLU 22 -21.320 -6.393 3.466 865 H GLY 23 H GLY 23 -21.928 -10.133 0.484 866 HA2 GLY 23 2HA GLY 23 -21.582 -11.396 -1.392 867 HA3 GLY 23 1HA GLY 23 -20.539 -10.080 -1.907 868 H ASP 24 H ASP 24 -18.838 -11.005 -2.751 869 HA ASP 24 HA ASP 24 -17.654 -13.423 -1.712 870 HB2 ASP 24 2HB ASP 24 -17.722 -12.911 -4.142 871 HB3 ASP 24 1HB ASP 24 -16.634 -11.563 -3.853 872 H LYS 25 H LYS 25 -16.106 -13.567 -0.291 873 HA LYS 25 HA LYS 25 -15.279 -11.450 1.274 874 HB2 LYS 25 2HB LYS 25 -13.891 -14.102 0.877 875 HB3 LYS 25 1HB LYS 25 -13.649 -13.003 2.242 876 HG2 LYS 25 2HG LYS 25 -16.156 -13.194 2.728 877 HG3 LYS 25 1HG LYS 25 -16.228 -14.476 1.525 878 HD2 LYS 25 2HD LYS 25 -14.406 -14.510 3.952 879 HD3 LYS 25 1HD LYS 25 -15.961 -15.336 3.857 880 HE2 LYS 25 2HE LYS 25 -14.870 -16.326 1.620 881 HE3 LYS 25 1HE LYS 25 -13.379 -15.991 2.505 882 HZ1 LYS 25 3HZ LYS 25 -13.732 -17.813 3.681 883 HZ2 LYS 25 1HZ LYS 25 -15.192 -18.102 2.869 884 HZ3 LYS 25 2HZ LYS 25 -15.180 -17.158 4.282 885 H TYR 26 H TYR 26 -13.742 -12.720 -1.622 886 HA TYR 26 HA TYR 26 -11.465 -10.895 -1.171 887 HB2 TYR 26 2HB TYR 26 -11.752 -13.253 -3.034 888 HB3 TYR 26 1HB TYR 26 -10.323 -12.222 -2.921 889 HD1 TYR 26 2HD TYR 26 -9.081 -12.057 -0.745 890 HD2 TYR 26 1HD TYR 26 -12.183 -14.953 -1.406 891 HE1 TYR 26 2HE TYR 26 -8.271 -13.365 1.198 892 HE2 TYR 26 1HE TYR 26 -11.373 -16.262 0.539 893 HH TYR 26 HH TYR 26 -9.069 -15.004 2.765 894 H LYS 27 H LYS 27 -14.250 -10.176 -2.378 895 HA LYS 27 HA LYS 27 -13.039 -8.708 -4.629 896 HB2 LYS 27 2HB LYS 27 -14.260 -10.865 -5.431 897 HB3 LYS 27 1HB LYS 27 -15.722 -9.985 -5.042 898 HG2 LYS 27 2HG LYS 27 -15.366 -9.609 -7.318 899 HG3 LYS 27 1HG LYS 27 -14.834 -8.136 -6.516 900 HD2 LYS 27 2HD LYS 27 -12.498 -8.806 -6.767 901 HD3 LYS 27 1HD LYS 27 -12.990 -10.386 -7.370 902 HE2 LYS 27 2HE LYS 27 -13.830 -7.833 -8.739 903 HE3 LYS 27 1HE LYS 27 -12.291 -8.614 -9.105 904 HZ1 LYS 27 3HZ LYS 27 -13.551 -9.727 -10.577 905 HZ2 LYS 27 1HZ LYS 27 -14.996 -9.460 -9.733 906 HZ3 LYS 27 2HZ LYS 27 -13.938 -10.692 -9.234 907 H LEU 28 H LEU 28 -13.940 -6.634 -4.952 908 HA LEU 28 HA LEU 28 -15.858 -5.876 -2.836 909 HB2 LEU 28 2HB LEU 28 -13.347 -5.133 -2.919 910 HB3 LEU 28 1HB LEU 28 -13.903 -4.032 -4.149 911 HG LEU 28 HG LEU 28 -15.487 -2.989 -2.591 912 HD11 LEU 28 1HD1 LEU 28 -16.162 -4.491 -0.932 913 HD12 LEU 28 2HD1 LEU 28 -14.926 -3.608 -0.055 914 HD13 LEU 28 3HD1 LEU 28 -14.549 -5.181 -0.743 915 HD21 LEU 28 3HD2 LEU 28 -13.078 -2.211 -2.768 916 HD22 LEU 28 1HD2 LEU 28 -12.709 -3.214 -1.366 917 HD23 LEU 28 2HD2 LEU 28 -13.810 -1.858 -1.197 918 H SER 29 H SER 29 -17.740 -4.950 -3.434 919 HA SER 29 HA SER 29 -18.191 -4.302 -6.271 920 HB2 SER 29 2HB SER 29 -19.673 -5.991 -5.251 921 HB3 SER 29 1HB SER 29 -20.176 -4.811 -4.045 922 HG SER 29 HG SER 29 -20.390 -4.405 -6.845 923 H LYS 30 H LYS 30 -19.633 -2.458 -6.757 924 HA LYS 30 HA LYS 30 -18.646 -0.035 -5.884 925 HB2 LYS 30 2HB LYS 30 -20.171 -0.354 -7.834 926 HB3 LYS 30 1HB LYS 30 -21.502 -0.558 -6.700 927 HG2 LYS 30 2HG LYS 30 -20.984 1.720 -5.765 928 HG3 LYS 30 1HG LYS 30 -19.770 1.907 -7.028 929 HD2 LYS 30 2HD LYS 30 -21.815 2.951 -7.786 930 HD3 LYS 30 1HD LYS 30 -21.571 1.477 -8.727 931 HE2 LYS 30 2HE LYS 30 -23.350 0.395 -7.745 932 HE3 LYS 30 1HE LYS 30 -23.129 1.198 -6.184 933 HZ1 LYS 30 3HZ LYS 30 -24.043 2.684 -8.577 934 HZ2 LYS 30 1HZ LYS 30 -24.201 3.105 -6.942 935 HZ3 LYS 30 2HZ LYS 30 -25.139 1.844 -7.587 936 H LYS 31 H LYS 31 -21.550 -1.718 -4.772 937 HA LYS 31 HA LYS 31 -22.403 0.235 -2.973 938 HB2 LYS 31 2HB LYS 31 -23.786 -1.508 -2.030 939 HB3 LYS 31 1HB LYS 31 -23.703 -1.764 -3.775 940 HG2 LYS 31 2HG LYS 31 -21.804 -3.382 -3.365 941 HG3 LYS 31 1HG LYS 31 -22.135 -3.213 -1.640 942 HD2 LYS 31 2HD LYS 31 -24.453 -3.856 -2.073 943 HD3 LYS 31 1HD LYS 31 -24.018 -4.275 -3.722 944 HE2 LYS 31 2HE LYS 31 -22.254 -5.806 -2.749 945 HE3 LYS 31 1HE LYS 31 -22.945 -5.490 -1.158 946 HZ1 LYS 31 3HZ LYS 31 -24.544 -6.948 -1.551 947 HZ2 LYS 31 1HZ LYS 31 -23.784 -7.366 -3.009 948 HZ3 LYS 31 2HZ LYS 31 -24.986 -6.166 -2.993 949 H GLU 32 H GLU 32 -20.434 -2.687 -2.467 950 HA GLU 32 HA GLU 32 -20.011 -2.325 0.296 951 HB2 GLU 32 2HB GLU 32 -18.178 -3.662 -1.711 952 HB3 GLU 32 1HB GLU 32 -18.105 -3.856 0.037 953 HG2 GLU 32 2HG GLU 32 -20.443 -4.735 -0.014 954 HG3 GLU 32 1HG GLU 32 -20.391 -4.659 -1.770 955 H LEU 33 H LEU 33 -17.764 -1.470 -2.426 956 HA LEU 33 HA LEU 33 -15.843 -0.358 -0.700 957 HB2 LEU 33 2HB LEU 33 -14.945 0.879 -2.655 958 HB3 LEU 33 1HB LEU 33 -15.123 -0.835 -2.899 959 HG LEU 33 HG LEU 33 -17.533 -0.013 -3.837 960 HD11 LEU 33 1HD1 LEU 33 -17.279 1.994 -5.150 961 HD12 LEU 33 2HD1 LEU 33 -15.569 2.114 -4.767 962 HD13 LEU 33 3HD1 LEU 33 -16.782 2.405 -3.514 963 HD21 LEU 33 3HD2 LEU 33 -14.851 -0.544 -5.101 964 HD22 LEU 33 1HD2 LEU 33 -16.163 0.006 -6.138 965 HD23 LEU 33 2HD2 LEU 33 -16.335 -1.485 -5.206 966 H LYS 34 H LYS 34 -18.707 1.072 -2.177 967 HA LYS 34 HA LYS 34 -18.061 3.716 -1.546 968 HB2 LYS 34 2HB LYS 34 -20.090 3.038 -2.840 969 HB3 LYS 34 1HB LYS 34 -20.796 2.422 -1.348 970 HG2 LYS 34 2HG LYS 34 -21.703 4.598 -1.580 971 HG3 LYS 34 1HG LYS 34 -20.417 4.786 -0.391 972 HD2 LYS 34 2HD LYS 34 -18.906 5.651 -2.098 973 HD3 LYS 34 1HD LYS 34 -20.091 5.329 -3.354 974 HE2 LYS 34 2HE LYS 34 -20.010 7.503 -1.331 975 HE3 LYS 34 1HE LYS 34 -20.533 7.549 -3.011 976 HZ1 LYS 34 3HZ LYS 34 -22.032 6.330 -0.758 977 HZ2 LYS 34 1HZ LYS 34 -22.533 6.347 -2.378 978 HZ3 LYS 34 2HZ LYS 34 -22.400 7.805 -1.517 979 H GLU 35 H GLU 35 -19.246 1.018 0.427 980 HA GLU 35 HA GLU 35 -19.655 2.671 2.753 981 HB2 GLU 35 2HB GLU 35 -19.484 -0.326 2.413 982 HB3 GLU 35 1HB GLU 35 -19.924 0.494 3.910 983 HG2 GLU 35 2HG GLU 35 -21.798 1.611 2.741 984 HG3 GLU 35 1HG GLU 35 -21.388 0.727 1.272 985 H LEU 36 H LEU 36 -17.013 0.519 1.640 986 HA LEU 36 HA LEU 36 -15.543 0.581 4.066 987 HB2 LEU 36 2HB LEU 36 -15.257 -0.962 2.009 988 HB3 LEU 36 1HB LEU 36 -14.268 0.331 1.344 989 HG LEU 36 HG LEU 36 -13.755 -1.136 3.975 990 HD11 LEU 36 1HD1 LEU 36 -12.255 -2.441 2.883 991 HD12 LEU 36 2HD1 LEU 36 -11.799 -1.178 1.744 992 HD13 LEU 36 3HD1 LEU 36 -13.278 -2.097 1.490 993 HD21 LEU 36 3HD2 LEU 36 -12.451 1.251 2.689 994 HD22 LEU 36 1HD2 LEU 36 -11.475 0.121 3.617 995 HD23 LEU 36 2HD2 LEU 36 -12.819 0.950 4.385 996 H LEU 37 H LEU 37 -15.220 2.641 1.106 997 HA LEU 37 HA LEU 37 -13.028 4.098 2.173 998 HB2 LEU 37 2HB LEU 37 -15.027 4.825 0.031 999 HB3 LEU 37 1HB LEU 37 -13.719 5.899 0.509 1000 HG LEU 37 HG LEU 37 -13.314 4.330 -1.511 1001 HD11 LEU 37 1HD1 LEU 37 -10.981 4.175 -1.018 1002 HD12 LEU 37 2HD1 LEU 37 -11.280 4.100 0.718 1003 HD13 LEU 37 3HD1 LEU 37 -11.561 5.601 -0.162 1004 HD21 LEU 37 3HD2 LEU 37 -12.640 2.079 -1.016 1005 HD22 LEU 37 1HD2 LEU 37 -14.226 2.330 -0.307 1006 HD23 LEU 37 2HD2 LEU 37 -12.800 2.358 0.714 1007 H GLN 38 H GLN 38 -16.537 4.666 2.294 1008 HA GLN 38 HA GLN 38 -16.363 7.180 3.575 1009 HB2 GLN 38 2HB GLN 38 -18.565 5.115 3.580 1010 HB3 GLN 38 1HB GLN 38 -18.724 6.727 4.277 1011 HG2 GLN 38 2HG GLN 38 -18.234 7.746 2.104 1012 HG3 GLN 38 1HG GLN 38 -17.997 6.157 1.382 1013 HE21 GLN 38 1HE2 GLN 38 -20.010 7.960 0.414 1014 HE22 GLN 38 2HE2 GLN 38 -21.531 7.289 0.757 1015 H THR 39 H THR 39 -16.510 3.872 4.894 1016 HA THR 39 HA THR 39 -16.747 4.761 7.605 1017 HB THR 39 HB THR 39 -16.224 2.443 8.204 1018 HG1 THR 39 1HG THR 39 -15.442 2.387 5.510 1019 HG21 THR 39 3HG2 THR 39 -18.242 3.147 6.138 1020 HG22 THR 39 1HG2 THR 39 -18.463 2.446 7.740 1021 HG23 THR 39 2HG2 THR 39 -17.953 1.428 6.394 1022 H GLU 40 H GLU 40 -14.003 3.891 5.545 1023 HA GLU 40 HA GLU 40 -12.147 4.356 7.752 1024 HB2 GLU 40 2HB GLU 40 -11.746 3.445 4.903 1025 HB3 GLU 40 1HB GLU 40 -10.427 3.726 6.032 1026 HG2 GLU 40 2HG GLU 40 -12.726 1.809 6.511 1027 HG3 GLU 40 1HG GLU 40 -11.118 1.336 5.972 1028 H LEU 41 H LEU 41 -12.704 5.670 4.474 1029 HA LEU 41 HA LEU 41 -11.151 8.051 5.272 1030 HB2 LEU 41 2HB LEU 41 -11.931 7.208 2.475 1031 HB3 LEU 41 1HB LEU 41 -10.820 8.493 2.921 1032 HG LEU 41 HG LEU 41 -10.416 5.513 3.299 1033 HD11 LEU 41 1HD1 LEU 41 -8.448 7.283 1.923 1034 HD12 LEU 41 2HD1 LEU 41 -9.959 6.974 1.076 1035 HD13 LEU 41 3HD1 LEU 41 -8.927 5.627 1.553 1036 HD21 LEU 41 3HD2 LEU 41 -8.055 6.421 4.038 1037 HD22 LEU 41 1HD2 LEU 41 -9.360 6.322 5.218 1038 HD23 LEU 41 2HD2 LEU 41 -8.960 7.870 4.463 1039 H SER 42 H SER 42 -11.938 10.087 5.088 1040 HA SER 42 HA SER 42 -14.830 10.300 4.465 1041 HB2 SER 42 2HB SER 42 -14.960 11.055 6.599 1042 HB3 SER 42 1HB SER 42 -13.217 11.271 6.717 1043 HG SER 42 HG SER 42 -14.148 13.284 6.782 1044 H GLY 43 H GLY 43 -12.049 12.493 4.805 1045 HA2 GLY 43 2HA GLY 43 -12.928 14.412 2.982 1046 HA3 GLY 43 1HA GLY 43 -11.266 14.199 3.503 1047 H PHE 44 H PHE 44 -10.875 11.536 2.353 1048 HA PHE 44 HA PHE 44 -10.018 12.311 -0.204 1049 HB2 PHE 44 2HB PHE 44 -10.491 9.572 0.964 1050 HB3 PHE 44 1HB PHE 44 -9.760 9.833 -0.616 1051 HD1 PHE 44 1HD PHE 44 -7.570 10.903 -0.842 1052 HD2 PHE 44 2HD PHE 44 -9.284 10.153 3.035 1053 HE1 PHE 44 1HE PHE 44 -5.368 11.318 0.219 1054 HE2 PHE 44 2HE PHE 44 -7.081 10.565 4.085 1055 HZ PHE 44 HZ PHE 44 -5.123 11.148 2.680 1056 H LEU 45 H LEU 45 -12.834 10.233 0.612 1057 HA LEU 45 HA LEU 45 -13.737 10.248 -2.130 1058 HB2 LEU 45 2HB LEU 45 -14.624 8.995 0.397 1059 HB3 LEU 45 1HB LEU 45 -15.943 9.453 -0.673 1060 HG LEU 45 HG LEU 45 -15.013 7.099 -1.005 1061 HD11 LEU 45 1HD1 LEU 45 -15.578 9.215 -2.993 1062 HD12 LEU 45 2HD1 LEU 45 -16.241 7.585 -2.849 1063 HD13 LEU 45 3HD1 LEU 45 -14.695 7.833 -3.654 1064 HD21 LEU 45 3HD2 LEU 45 -12.822 8.133 -2.709 1065 HD22 LEU 45 1HD2 LEU 45 -12.862 6.739 -1.636 1066 HD23 LEU 45 2HD2 LEU 45 -12.543 8.339 -0.976 1067 H ASP 46 H ASP 46 -14.622 11.950 0.803 1068 HA ASP 46 HA ASP 46 -16.879 13.259 -0.195 1069 HB2 ASP 46 2HB ASP 46 -16.216 13.123 2.212 1070 HB3 ASP 46 1HB ASP 46 -14.961 14.320 1.889 1071 H ALA 47 H ALA 47 -13.469 14.029 -0.468 1072 HA ALA 47 HA ALA 47 -13.623 16.714 -1.195 1073 HB1 ALA 47 1HB ALA 47 -11.490 15.815 -0.704 1074 HB2 ALA 47 2HB ALA 47 -11.444 16.213 -2.422 1075 HB3 ALA 47 3HB ALA 47 -11.665 14.539 -1.910 1076 H GLN 48 H GLN 48 -14.153 13.840 -3.161 1077 HA GLN 48 HA GLN 48 -13.967 15.089 -5.685 1078 HB2 GLN 48 2HB GLN 48 -15.740 12.750 -4.926 1079 HB3 GLN 48 1HB GLN 48 -15.296 13.241 -6.559 1080 HG2 GLN 48 2HG GLN 48 -13.412 12.222 -4.410 1081 HG3 GLN 48 1HG GLN 48 -13.854 11.411 -5.903 1082 HE21 GLN 48 1HE2 GLN 48 -11.390 13.152 -4.551 1083 HE22 GLN 48 2HE2 GLN 48 -10.715 13.823 -5.960 1084 H LYS 49 H LYS 49 -16.519 14.912 -3.319 1085 HA LYS 49 HA LYS 49 -18.416 16.149 -3.017 1086 HB2 LYS 49 2HB LYS 49 -17.039 18.061 -3.829 1087 HB3 LYS 49 1HB LYS 49 -17.590 17.716 -5.467 1088 HG2 LYS 49 2HG LYS 49 -19.939 17.991 -4.723 1089 HG3 LYS 49 1HG LYS 49 -19.359 18.414 -3.111 1090 HD2 LYS 49 2HD LYS 49 -18.055 20.295 -4.134 1091 HD3 LYS 49 1HD LYS 49 -18.807 19.919 -5.684 1092 HE2 LYS 49 2HE LYS 49 -20.246 21.563 -4.880 1093 HE3 LYS 49 1HE LYS 49 -21.047 20.102 -4.302 1094 HZ1 LYS 49 3HZ LYS 49 -19.450 22.063 -2.803 1095 HZ2 LYS 49 1HZ LYS 49 -19.528 20.460 -2.252 1096 HZ3 LYS 49 2HZ LYS 49 -20.953 21.372 -2.412 1097 H ASP 50 H ASP 50 -17.790 15.063 -6.339 1098 HA ASP 50 HA ASP 50 -20.533 15.152 -7.128 1099 HB2 ASP 50 2HB ASP 50 -18.211 13.590 -8.262 1100 HB3 ASP 50 1HB ASP 50 -19.820 13.668 -8.985 1101 H VAL 51 H VAL 51 -22.075 13.589 -7.183 1102 HA VAL 51 HA VAL 51 -21.944 11.552 -5.167 1103 HB VAL 51 HB VAL 51 -24.207 11.055 -5.726 1104 HG11 VAL 51 1HG1 VAL 51 -24.247 13.955 -6.416 1105 HG12 VAL 51 2HG1 VAL 51 -23.441 13.502 -4.914 1106 HG13 VAL 51 3HG1 VAL 51 -25.132 13.076 -5.170 1107 HG21 VAL 51 3HG2 VAL 51 -25.263 12.043 -7.791 1108 HG22 VAL 51 1HG2 VAL 51 -24.051 10.810 -8.126 1109 HG23 VAL 51 2HG2 VAL 51 -23.654 12.514 -8.329 1110 H ASP 52 H ASP 52 -21.508 11.648 -8.629 1111 HA ASP 52 HA ASP 52 -21.520 8.748 -8.901 1112 HB2 ASP 52 2HB ASP 52 -20.946 10.979 -10.864 1113 HB3 ASP 52 1HB ASP 52 -20.916 9.266 -11.279 1114 H ALA 53 H ALA 53 -19.447 10.788 -7.544 1115 HA ALA 53 HA ALA 53 -16.971 10.448 -8.765 1116 HB1 ALA 53 1HB ALA 53 -16.025 10.872 -6.530 1117 HB2 ALA 53 2HB ALA 53 -17.616 10.611 -5.815 1118 HB3 ALA 53 3HB ALA 53 -17.351 11.978 -6.896 1119 H VAL 54 H VAL 54 -18.694 8.316 -6.499 1120 HA VAL 54 HA VAL 54 -16.585 6.499 -6.055 1121 HB VAL 54 HB VAL 54 -18.788 6.567 -4.823 1122 HG11 VAL 54 1HG1 VAL 54 -20.736 5.617 -5.797 1123 HG12 VAL 54 2HG1 VAL 54 -19.825 4.915 -7.133 1124 HG13 VAL 54 3HG1 VAL 54 -20.087 6.657 -7.063 1125 HG21 VAL 54 3HG2 VAL 54 -17.435 4.665 -4.416 1126 HG22 VAL 54 1HG2 VAL 54 -17.703 4.030 -6.039 1127 HG23 VAL 54 2HG2 VAL 54 -19.006 3.994 -4.855 1128 H ASP 55 H ASP 55 -19.120 6.619 -8.542 1129 HA ASP 55 HA ASP 55 -18.455 4.214 -9.849 1130 HB2 ASP 55 2HB ASP 55 -19.717 6.760 -10.842 1131 HB3 ASP 55 1HB ASP 55 -19.605 5.294 -11.814 1132 H LYS 56 H LYS 56 -17.363 7.564 -10.316 1133 HA LYS 56 HA LYS 56 -15.687 7.018 -12.541 1134 HB2 LYS 56 2HB LYS 56 -15.347 9.150 -10.416 1135 HB3 LYS 56 1HB LYS 56 -14.582 9.137 -12.001 1136 HG2 LYS 56 2HG LYS 56 -17.578 9.217 -11.537 1137 HG3 LYS 56 1HG LYS 56 -16.588 10.621 -11.913 1138 HD2 LYS 56 2HD LYS 56 -15.869 9.407 -14.030 1139 HD3 LYS 56 1HD LYS 56 -17.123 8.218 -13.678 1140 HE2 LYS 56 2HE LYS 56 -18.153 9.785 -15.134 1141 HE3 LYS 56 1HE LYS 56 -18.750 10.181 -13.523 1142 HZ1 LYS 56 3HZ LYS 56 -18.053 12.229 -14.020 1143 HZ2 LYS 56 1HZ LYS 56 -17.047 11.705 -15.281 1144 HZ3 LYS 56 2HZ LYS 56 -16.497 11.640 -13.674 1145 H VAL 57 H VAL 57 -15.207 6.851 -9.063 1146 HA VAL 57 HA VAL 57 -12.418 6.478 -9.088 1147 HB VAL 57 HB VAL 57 -14.528 5.654 -7.094 1148 HG11 VAL 57 1HG1 VAL 57 -12.500 5.497 -5.541 1149 HG12 VAL 57 2HG1 VAL 57 -11.510 5.455 -7.000 1150 HG13 VAL 57 3HG1 VAL 57 -12.690 4.180 -6.698 1151 HG21 VAL 57 3HG2 VAL 57 -14.098 7.679 -6.049 1152 HG22 VAL 57 1HG2 VAL 57 -13.781 8.150 -7.718 1153 HG23 VAL 57 2HG2 VAL 57 -12.440 7.757 -6.645 1154 H MET 58 H MET 58 -15.066 4.015 -9.063 1155 HA MET 58 HA MET 58 -13.190 1.882 -8.920 1156 HB2 MET 58 2HB MET 58 -15.041 0.412 -9.787 1157 HB3 MET 58 1HB MET 58 -15.345 1.248 -8.269 1158 HG2 MET 58 2HG MET 58 -16.938 2.632 -9.203 1159 HG3 MET 58 1HG MET 58 -16.199 2.578 -10.801 1160 HE1 MET 58 3HE MET 58 -18.365 -1.068 -8.952 1161 HE2 MET 58 1HE MET 58 -17.741 0.319 -8.052 1162 HE3 MET 58 2HE MET 58 -16.634 -0.826 -8.808 1163 H LYS 59 H LYS 59 -14.490 3.581 -11.739 1164 HA LYS 59 HA LYS 59 -13.805 1.635 -13.643 1165 HB2 LYS 59 2HB LYS 59 -13.806 4.638 -14.011 1166 HB3 LYS 59 1HB LYS 59 -13.758 3.451 -15.314 1167 HG2 LYS 59 2HG LYS 59 -15.993 3.668 -13.302 1168 HG3 LYS 59 1HG LYS 59 -16.020 4.299 -14.945 1169 HD2 LYS 59 2HD LYS 59 -15.233 1.759 -15.474 1170 HD3 LYS 59 1HD LYS 59 -16.145 1.476 -13.991 1171 HE2 LYS 59 2HE LYS 59 -18.002 2.857 -15.033 1172 HE3 LYS 59 1HE LYS 59 -17.079 2.754 -16.533 1173 HZ1 LYS 59 3HZ LYS 59 -17.332 0.450 -16.614 1174 HZ2 LYS 59 1HZ LYS 59 -18.862 0.998 -16.132 1175 HZ3 LYS 59 2HZ LYS 59 -17.797 0.339 -14.985 1176 H GLU 60 H GLU 60 -11.781 4.238 -12.274 1177 HA GLU 60 HA GLU 60 -9.543 3.728 -13.956 1178 HB2 GLU 60 2HB GLU 60 -9.839 5.798 -12.613 1179 HB3 GLU 60 1HB GLU 60 -9.556 4.859 -11.150 1180 HG2 GLU 60 2HG GLU 60 -7.335 4.185 -12.051 1181 HG3 GLU 60 1HG GLU 60 -7.614 5.220 -13.447 1182 H LEU 61 H LEU 61 -10.510 2.566 -10.799 1183 HA LEU 61 HA LEU 61 -8.181 1.048 -10.265 1184 HB2 LEU 61 2HB LEU 61 -10.962 0.729 -9.131 1185 HB3 LEU 61 1HB LEU 61 -9.500 0.026 -8.463 1186 HG LEU 61 HG LEU 61 -10.105 2.986 -8.694 1187 HD11 LEU 61 1HD1 LEU 61 -9.582 1.557 -6.121 1188 HD12 LEU 61 2HD1 LEU 61 -11.156 1.325 -6.883 1189 HD13 LEU 61 3HD1 LEU 61 -10.621 2.944 -6.447 1190 HD21 LEU 61 3HD2 LEU 61 -7.770 2.956 -8.869 1191 HD22 LEU 61 1HD2 LEU 61 -7.623 1.458 -7.941 1192 HD23 LEU 61 2HD2 LEU 61 -7.985 2.968 -7.131 1193 H ASP 62 H ASP 62 -11.162 0.293 -11.910 1194 HA ASP 62 HA ASP 62 -10.799 -2.518 -11.744 1195 HB2 ASP 62 2HB ASP 62 -12.983 -1.431 -12.101 1196 HB3 ASP 62 1HB ASP 62 -12.454 -0.949 -13.714 1197 H GLU 63 H GLU 63 -8.822 -3.118 -12.476 1198 HA GLU 63 HA GLU 63 -7.676 -2.458 -14.997 1199 HB2 GLU 63 2HB GLU 63 -6.344 -3.378 -13.193 1200 HB3 GLU 63 1HB GLU 63 -7.387 -4.802 -13.105 1201 HG2 GLU 63 2HG GLU 63 -6.752 -5.441 -15.365 1202 HG3 GLU 63 1HG GLU 63 -5.676 -4.026 -15.488 1203 H ASN 64 H ASN 64 -9.483 -5.107 -13.734 1204 HA ASN 64 HA ASN 64 -9.616 -6.826 -15.904 1205 HB2 ASN 64 2HB ASN 64 -11.457 -6.222 -13.653 1206 HB3 ASN 64 1HB ASN 64 -11.578 -7.689 -14.622 1207 HD21 ASN 64 1HD2 ASN 64 -8.916 -8.488 -14.800 1208 HD22 ASN 64 2HD2 ASN 64 -8.267 -8.729 -13.251 1209 H GLY 65 H GLY 65 -11.645 -4.068 -15.024 1210 HA2 GLY 65 2HA GLY 65 -13.029 -2.813 -16.451 1211 HA3 GLY 65 1HA GLY 65 -12.840 -4.055 -17.691 1212 H ASP 66 H ASP 66 -13.439 -5.265 -14.593 1213 HA ASP 66 HA ASP 66 -16.066 -6.220 -15.376 1214 HB2 ASP 66 2HB ASP 66 -15.870 -7.655 -13.397 1215 HB3 ASP 66 1HB ASP 66 -14.420 -7.761 -14.392 1216 H GLY 67 H GLY 67 -15.190 -3.387 -14.120 1217 HA2 GLY 67 2HA GLY 67 -16.311 -1.741 -12.968 1218 HA3 GLY 67 1HA GLY 67 -17.747 -2.753 -13.101 1219 H GLU 68 H GLU 68 -15.539 -4.693 -11.732 1220 HA GLU 68 HA GLU 68 -16.342 -3.963 -8.968 1221 HB2 GLU 68 2HB GLU 68 -17.286 -6.090 -9.950 1222 HB3 GLU 68 1HB GLU 68 -15.640 -6.709 -10.024 1223 HG2 GLU 68 2HG GLU 68 -15.411 -6.398 -7.591 1224 HG3 GLU 68 1HG GLU 68 -17.056 -5.782 -7.518 1225 H VAL 69 H VAL 69 -14.788 -3.945 -7.376 1226 HA VAL 69 HA VAL 69 -12.040 -3.725 -8.418 1227 HB VAL 69 HB VAL 69 -13.255 -2.755 -5.826 1228 HG11 VAL 69 1HG1 VAL 69 -10.678 -1.904 -7.137 1229 HG12 VAL 69 2HG1 VAL 69 -10.756 -3.121 -5.858 1230 HG13 VAL 69 3HG1 VAL 69 -11.265 -1.467 -5.534 1231 HG21 VAL 69 3HG2 VAL 69 -12.550 -1.174 -8.297 1232 HG22 VAL 69 1HG2 VAL 69 -13.391 -0.599 -6.857 1233 HG23 VAL 69 2HG2 VAL 69 -14.179 -1.749 -7.936 1234 H ASP 70 H ASP 70 -10.430 -5.077 -7.786 1235 HA ASP 70 HA ASP 70 -11.141 -7.159 -5.829 1236 HB2 ASP 70 2HB ASP 70 -9.380 -8.497 -6.771 1237 HB3 ASP 70 1HB ASP 70 -10.355 -7.868 -8.095 1238 H PHE 71 H PHE 71 -9.202 -7.975 -4.566 1239 HA PHE 71 HA PHE 71 -8.451 -6.110 -2.657 1240 HB2 PHE 71 2HB PHE 71 -8.399 -8.699 -2.698 1241 HB3 PHE 71 1HB PHE 71 -6.802 -8.520 -3.401 1242 HD1 PHE 71 1HD PHE 71 -6.573 -5.778 -1.449 1243 HD2 PHE 71 2HD PHE 71 -7.188 -9.994 -0.955 1244 HE1 PHE 71 1HE PHE 71 -5.610 -5.648 0.819 1245 HE2 PHE 71 2HE PHE 71 -6.237 -9.849 1.311 1246 HZ PHE 71 HZ PHE 71 -5.453 -7.684 2.197 1247 H GLN 72 H GLN 72 -6.536 -7.289 -5.469 1248 HA GLN 72 HA GLN 72 -4.187 -5.828 -4.856 1249 HB2 GLN 72 2HB GLN 72 -5.254 -6.799 -7.518 1250 HB3 GLN 72 1HB GLN 72 -3.631 -6.154 -7.270 1251 HG2 GLN 72 2HG GLN 72 -3.178 -7.905 -5.608 1252 HG3 GLN 72 1HG GLN 72 -4.794 -8.548 -5.809 1253 HE21 GLN 72 1HE2 GLN 72 -2.565 -10.187 -6.277 1254 HE22 GLN 72 2HE2 GLN 72 -2.462 -10.520 -7.933 1255 H GLU 73 H GLU 73 -7.024 -4.921 -6.825 1256 HA GLU 73 HA GLU 73 -5.988 -2.462 -7.764 1257 HB2 GLU 73 2HB GLU 73 -8.804 -3.433 -7.322 1258 HB3 GLU 73 1HB GLU 73 -8.428 -1.911 -8.111 1259 HG2 GLU 73 2HG GLU 73 -7.153 -3.153 -9.843 1260 HG3 GLU 73 1HG GLU 73 -7.576 -4.668 -9.062 1261 H TYR 74 H TYR 74 -7.890 -3.384 -4.942 1262 HA TYR 74 HA TYR 74 -8.310 -0.812 -3.827 1263 HB2 TYR 74 2HB TYR 74 -9.545 -2.859 -3.179 1264 HB3 TYR 74 1HB TYR 74 -8.075 -3.503 -2.454 1265 HD1 TYR 74 1HD TYR 74 -10.699 -0.924 -2.199 1266 HD2 TYR 74 2HD TYR 74 -7.209 -2.632 -0.370 1267 HE1 TYR 74 1HE TYR 74 -11.204 0.285 -0.095 1268 HE2 TYR 74 2HE TYR 74 -7.713 -1.417 1.731 1269 HH TYR 74 HH TYR 74 -9.915 1.110 1.899 1270 H VAL 75 H VAL 75 -5.838 -3.234 -3.469 1271 HA VAL 75 HA VAL 75 -4.366 -2.058 -1.389 1272 HB VAL 75 HB VAL 75 -4.138 -4.427 -2.946 1273 HG11 VAL 75 1HG1 VAL 75 -1.634 -2.774 -3.186 1274 HG12 VAL 75 2HG1 VAL 75 -2.572 -3.473 -4.489 1275 HG13 VAL 75 3HG1 VAL 75 -1.685 -4.514 -3.380 1276 HG21 VAL 75 3HG2 VAL 75 -2.534 -3.319 -0.641 1277 HG22 VAL 75 1HG2 VAL 75 -2.282 -4.941 -1.287 1278 HG23 VAL 75 2HG2 VAL 75 -3.846 -4.503 -0.596 1279 H VAL 76 H VAL 76 -3.960 -1.761 -4.949 1280 HA VAL 76 HA VAL 76 -1.790 0.072 -4.590 1281 HB VAL 76 HB VAL 76 -1.959 0.602 -6.932 1282 HG11 VAL 76 1HG1 VAL 76 -1.181 -1.725 -6.066 1283 HG12 VAL 76 2HG1 VAL 76 -1.494 -1.539 -7.792 1284 HG13 VAL 76 3HG1 VAL 76 -2.692 -2.317 -6.760 1285 HG21 VAL 76 3HG2 VAL 76 -3.797 -0.127 -8.322 1286 HG22 VAL 76 1HG2 VAL 76 -4.473 0.784 -6.973 1287 HG23 VAL 76 2HG2 VAL 76 -4.529 -0.971 -6.970 1288 H LEU 77 H LEU 77 -5.341 0.456 -4.756 1289 HA LEU 77 HA LEU 77 -5.356 3.254 -5.056 1290 HB2 LEU 77 2HB LEU 77 -7.440 2.021 -5.122 1291 HB3 LEU 77 1HB LEU 77 -7.208 1.457 -3.474 1292 HG LEU 77 HG LEU 77 -7.338 3.891 -2.722 1293 HD11 LEU 77 1HD1 LEU 77 -7.927 5.618 -4.103 1294 HD12 LEU 77 2HD1 LEU 77 -8.800 4.589 -5.219 1295 HD13 LEU 77 3HD1 LEU 77 -7.047 4.666 -5.287 1296 HD21 LEU 77 3HD2 LEU 77 -9.228 2.599 -2.286 1297 HD22 LEU 77 1HD2 LEU 77 -9.613 2.407 -3.997 1298 HD23 LEU 77 2HD2 LEU 77 -9.883 3.957 -3.200 1299 H VAL 78 H VAL 78 -5.261 1.371 -1.991 1300 HA VAL 78 HA VAL 78 -5.071 3.767 -0.450 1301 HB VAL 78 HB VAL 78 -4.416 2.382 1.467 1302 HG11 VAL 78 1HG1 VAL 78 -6.750 1.666 -0.257 1303 HG12 VAL 78 2HG1 VAL 78 -6.702 2.513 1.291 1304 HG13 VAL 78 3HG1 VAL 78 -6.469 0.767 1.236 1305 HG21 VAL 78 3HG2 VAL 78 -3.042 0.705 0.177 1306 HG22 VAL 78 1HG2 VAL 78 -4.549 -0.003 -0.408 1307 HG23 VAL 78 2HG2 VAL 78 -4.179 -0.011 1.310 1308 H ALA 79 H ALA 79 -2.614 1.622 -1.842 1309 HA ALA 79 HA ALA 79 -0.442 2.842 -0.411 1310 HB1 ALA 79 1HB ALA 79 0.075 1.688 -3.100 1311 HB2 ALA 79 2HB ALA 79 -0.622 0.622 -1.889 1312 HB3 ALA 79 3HB ALA 79 0.907 1.422 -1.566 1313 H ALA 80 H ALA 80 -1.695 3.354 -3.697 1314 HA ALA 80 HA ALA 80 0.131 5.374 -4.427 1315 HB1 ALA 80 1HB ALA 80 -1.655 5.971 -6.124 1316 HB2 ALA 80 2HB ALA 80 -2.659 4.719 -5.393 1317 HB3 ALA 80 3HB ALA 80 -1.123 4.287 -6.149 1318 H LEU 81 H LEU 81 -3.050 5.427 -2.822 1319 HA LEU 81 HA LEU 81 -3.190 8.271 -2.731 1320 HB2 LEU 81 2HB LEU 81 -4.640 6.050 -1.385 1321 HB3 LEU 81 1HB LEU 81 -4.700 7.641 -0.626 1322 HG LEU 81 HG LEU 81 -5.556 8.647 -2.687 1323 HD11 LEU 81 1HD1 LEU 81 -5.700 5.920 -3.956 1324 HD12 LEU 81 2HD1 LEU 81 -4.334 6.991 -4.227 1325 HD13 LEU 81 3HD1 LEU 81 -5.951 7.487 -4.703 1326 HD21 LEU 81 3HD2 LEU 81 -7.750 7.554 -2.814 1327 HD22 LEU 81 1HD2 LEU 81 -7.210 7.637 -1.140 1328 HD23 LEU 81 2HD2 LEU 81 -7.103 6.117 -2.029 1329 H THR 82 H THR 82 -1.668 5.831 -0.643 1330 HA THR 82 HA THR 82 -1.130 7.556 1.540 1331 HB THR 82 HB THR 82 0.580 5.267 0.539 1332 HG1 THR 82 1HG THR 82 -1.186 4.858 2.597 1333 HG21 THR 82 3HG2 THR 82 0.733 5.169 3.214 1334 HG22 THR 82 1HG2 THR 82 0.463 6.901 3.030 1335 HG23 THR 82 2HG2 THR 82 1.845 6.135 2.246 1336 H VAL 83 H VAL 83 0.930 6.695 -1.266 1337 HA VAL 83 HA VAL 83 3.005 8.513 -0.518 1338 HB VAL 83 HB VAL 83 3.443 6.701 -2.139 1339 HG11 VAL 83 1HG1 VAL 83 1.250 7.070 -3.407 1340 HG12 VAL 83 2HG1 VAL 83 2.662 6.752 -4.371 1341 HG13 VAL 83 3HG1 VAL 83 2.056 8.400 -4.215 1342 HG21 VAL 83 3HG2 VAL 83 4.681 9.005 -2.009 1343 HG22 VAL 83 1HG2 VAL 83 3.922 9.298 -3.577 1344 HG23 VAL 83 2HG2 VAL 83 5.013 7.926 -3.366 1345 H ALA 84 H ALA 84 0.116 8.896 -2.499 1346 HA ALA 84 HA ALA 84 0.712 11.500 -3.455 1347 HB1 ALA 84 1HB ALA 84 -1.032 9.987 -4.399 1348 HB2 ALA 84 2HB ALA 84 -1.628 11.609 -4.048 1349 HB3 ALA 84 3HB ALA 84 -2.009 10.275 -2.960 1350 H CYS 85 H CHC 85 -0.646 10.249 -0.490 1351 HA CYS 85 HA CHC 85 -1.713 12.706 0.474 1352 HB2 CYS 85 2HB CHC 85 -2.167 10.259 1.267 1353 HB3 CYS 85 1HB CHC 85 -0.744 10.508 2.278 1354 H ASN 86 H ASN 86 1.279 10.881 1.326 1355 HA ASN 86 HA ASN 86 2.280 12.929 2.988 1356 HB2 ASN 86 2HB ASN 86 3.252 10.598 2.721 1357 HB3 ASN 86 1HB ASN 86 4.017 11.188 1.246 1358 HD21 ASN 86 1HD2 ASN 86 5.700 10.386 3.359 1359 HD22 ASN 86 2HD2 ASN 86 6.421 11.755 4.057 1360 H ASN 87 H ASN 87 2.526 12.424 -0.532 1361 HA ASN 87 HA ASN 87 4.249 14.618 -1.052 1362 HB2 ASN 87 2HB ASN 87 3.442 12.811 -2.739 1363 HB3 ASN 87 1HB ASN 87 2.019 13.844 -2.908 1364 HD21 ASN 87 1HD2 ASN 87 5.596 14.029 -3.097 1365 HD22 ASN 87 2HD2 ASN 87 5.608 15.260 -4.263 1366 H PHE 88 H PHE 88 0.744 14.335 -0.603 1367 HA PHE 88 HA PHE 88 0.158 16.978 -1.381 1368 HB2 PHE 88 2HB PHE 88 -1.582 15.229 -0.971 1369 HB3 PHE 88 1HB PHE 88 -1.264 15.358 0.758 1370 HD1 PHE 88 1HD PHE 88 -2.521 17.167 -2.221 1371 HD2 PHE 88 2HD PHE 88 -2.034 17.239 2.047 1372 HE1 PHE 88 1HE PHE 88 -4.042 19.120 -2.080 1373 HE2 PHE 88 2HE PHE 88 -3.556 19.191 2.187 1374 HZ PHE 88 HZ PHE 88 -4.560 20.132 0.124 1375 H PHE 89 H PHE 89 1.162 15.584 1.736 1376 HA PHE 89 HA PHE 89 0.894 17.977 3.230 1377 HB2 PHE 89 2HB PHE 89 1.084 15.729 4.233 1378 HB3 PHE 89 1HB PHE 89 2.774 15.667 3.733 1379 HD1 PHE 89 1HD PHE 89 0.333 17.423 5.903 1380 HD2 PHE 89 2HD PHE 89 4.476 16.903 4.895 1381 HE1 PHE 89 1HE PHE 89 0.986 18.674 7.942 1382 HE2 PHE 89 2HE PHE 89 5.130 18.155 6.934 1383 HZ PHE 89 HZ PHE 89 3.384 19.041 8.457 1384 H TRP 90 H TRP 90 3.984 16.482 2.032 1385 HA TRP 90 HA TRP 90 5.476 18.863 2.664 1386 HB2 TRP 90 2HB TRP 90 6.580 16.670 2.505 1387 HB3 TRP 90 1HB TRP 90 6.254 16.650 0.766 1388 HD1 TRP 90 HD TRP 90 7.255 18.719 -0.650 1389 HE1 TRP 90 1HE TRP 90 9.446 20.020 -0.371 1390 HE3 TRP 90 3HE TRP 90 8.362 17.490 4.170 1391 HZ2 TRP 90 2HZ TRP 90 11.436 20.474 1.649 1392 HZ3 TRP 90 3HZ TRP 90 10.411 18.369 5.250 1393 HH2 TRP 90 HH TRP 90 11.948 19.858 3.998 1394 H GLU 91 H GLU 91 4.246 17.519 -0.300 1395 HA GLU 91 HA GLU 91 4.926 19.912 -1.834 1396 HB2 GLU 91 2HB GLU 91 4.285 17.079 -2.464 1397 HB3 GLU 91 1HB GLU 91 3.767 18.240 -3.658 1398 HG2 GLU 91 2HG GLU 91 6.163 19.142 -3.591 1399 HG3 GLU 91 1HG GLU 91 6.559 17.772 -2.558 1400 H ASN 92 H ASN 92 3.395 21.167 -2.886 1401 HA ASN 92 HA ASN 92 0.655 20.953 -1.816 1402 HB2 ASN 92 2HB ASN 92 2.002 23.082 -1.524 1403 HB3 ASN 92 1HB ASN 92 1.882 23.300 -3.269 1404 HD21 ASN 92 1HD2 ASN 92 0.687 25.320 -1.985 1405 HD22 ASN 92 2HD2 ASN 92 -1.000 25.143 -1.918 1406 H SER 93 H SER 93 -0.884 20.175 -3.094 1407 HA SER 93 HA SER 93 -0.402 19.704 -5.900 1408 HB2 SER 93 2HB SER 93 -1.670 18.084 -4.563 1409 HB3 SER 93 1HB SER 93 -2.892 19.306 -4.224 1410 HG SER 93 HG SER 93 -2.567 19.300 -6.820 1411 H1 HCS 201 1HT CHC 85 1.657 -16.186 7.924 1412 H2 HCS 201 2HT CHC 85 2.728 -16.066 9.237 1413 H HCS 201 3HT CHC 85 3.284 -15.787 7.656 1414 HCA HCS 201 HH CHC 85 3.061 -13.655 8.485 1415 HB2 HCS 201 1HZ CHC 85 0.493 -14.462 7.095 1416 HB3 HCS 201 2HZ CHC 85 1.941 -13.778 6.355 1417 HG2 HCS 201 1HE CHC 85 1.580 -11.730 7.812 1418 HG3 HCS 201 2HE CHC 85 0.014 -12.410 8.251 1419 H1 HCS 201 1HT CHC 85 -3.247 16.924 5.525 1420 H2 HCS 201 2HT CHC 85 -4.595 16.933 6.559 1421 H HCS 201 3HT CHC 85 -4.772 16.478 4.931 1422 HCA HCS 201 HH CHC 85 -4.776 14.452 6.014 1423 HB2 HCS 201 1HZ CHC 85 -1.945 15.136 5.181 1424 HB3 HCS 201 2HZ CHC 85 -3.190 14.358 4.203 1425 HG2 HCS 201 1HE CHC 85 -3.204 12.483 5.917 1426 HG3 HCS 201 2HE CHC 85 -1.774 13.228 6.632 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.293 9.641 14.574 2 HA2 GLY 1 2HA GLY 1 -9.951 9.888 12.278 3 HA3 GLY 1 1HA GLY 1 -8.332 9.387 11.798 4 H SER 2 H SER 2 -8.442 7.502 10.762 5 HA SER 2 HA SER 2 -10.111 5.346 11.921 6 HB2 SER 2 2HB SER 2 -10.632 4.580 9.695 7 HB3 SER 2 1HB SER 2 -11.081 6.274 9.818 8 HG SER 2 HG SER 2 -8.847 5.099 8.549 9 H GLU 3 H GLU 3 -9.319 3.174 11.515 10 HA GLU 3 HA GLU 3 -6.573 2.892 12.025 11 HB2 GLU 3 2HB GLU 3 -8.604 0.899 11.015 12 HB3 GLU 3 1HB GLU 3 -6.981 0.466 11.541 13 HG2 GLU 3 2HG GLU 3 -7.445 1.473 13.750 14 HG3 GLU 3 1HG GLU 3 -9.086 1.843 13.225 15 H LEU 4 H LEU 4 -8.372 2.626 8.950 16 HA LEU 4 HA LEU 4 -6.215 1.562 7.443 17 HB2 LEU 4 2HB LEU 4 -8.728 1.899 6.823 18 HB3 LEU 4 1HB LEU 4 -8.214 3.514 6.340 19 HG LEU 4 HG LEU 4 -6.876 0.986 5.344 20 HD11 LEU 4 1HD1 LEU 4 -9.361 1.183 4.735 21 HD12 LEU 4 2HD1 LEU 4 -8.212 0.969 3.416 22 HD13 LEU 4 3HD1 LEU 4 -8.883 2.562 3.740 23 HD21 LEU 4 3HD2 LEU 4 -5.382 2.478 4.608 24 HD22 LEU 4 1HD2 LEU 4 -6.442 3.859 4.871 25 HD23 LEU 4 2HD2 LEU 4 -6.577 2.911 3.396 26 H GLU 5 H GLU 5 -7.300 4.841 8.180 27 HA GLU 5 HA GLU 5 -5.408 6.247 6.619 28 HB2 GLU 5 2HB GLU 5 -7.590 7.029 7.904 29 HB3 GLU 5 1HB GLU 5 -6.447 7.363 9.201 30 HG2 GLU 5 2HG GLU 5 -6.116 8.393 6.369 31 HG3 GLU 5 1HG GLU 5 -6.885 9.312 7.657 32 H THR 6 H THR 6 -5.423 5.051 9.942 33 HA THR 6 HA THR 6 -3.002 6.215 10.791 34 HB THR 6 HB THR 6 -4.158 3.544 11.632 35 HG1 THR 6 1HG THR 6 -4.778 5.270 13.393 36 HG21 THR 6 3HG2 THR 6 -2.990 4.137 13.779 37 HG22 THR 6 1HG2 THR 6 -2.242 5.493 12.937 38 HG23 THR 6 2HG2 THR 6 -1.895 3.841 12.429 39 H ALA 7 H ALA 7 -3.765 3.209 9.102 40 HA ALA 7 HA ALA 7 -1.149 2.123 9.107 41 HB1 ALA 7 1HB ALA 7 -3.141 1.733 6.879 42 HB2 ALA 7 2HB ALA 7 -3.378 0.998 8.464 43 HB3 ALA 7 3HB ALA 7 -1.959 0.586 7.505 44 H MET 8 H MET 8 -2.882 4.206 6.793 45 HA MET 8 HA MET 8 -0.851 4.346 4.824 46 HB2 MET 8 2HB MET 8 -2.958 6.355 5.691 47 HB3 MET 8 1HB MET 8 -1.971 6.535 4.241 48 HG2 MET 8 2HG MET 8 -2.833 4.387 3.382 49 HG3 MET 8 1HG MET 8 -3.822 4.200 4.816 50 HE1 MET 8 3HE MET 8 -3.114 7.457 2.476 51 HE2 MET 8 1HE MET 8 -4.359 7.038 1.292 52 HE3 MET 8 2HE MET 8 -3.051 5.910 1.631 53 H GLU 9 H GLU 9 -1.449 6.210 7.767 54 HA GLU 9 HA GLU 9 0.676 8.055 7.432 55 HB2 GLU 9 2HB GLU 9 -0.743 7.083 9.924 56 HB3 GLU 9 1HB GLU 9 0.435 8.395 9.908 57 HG2 GLU 9 2HG GLU 9 -2.127 8.340 8.288 58 HG3 GLU 9 1HG GLU 9 -1.894 9.243 9.780 59 H THR 10 H THR 10 0.461 4.800 8.833 60 HA THR 10 HA THR 10 3.011 4.845 10.059 61 HB THR 10 HB THR 10 1.533 2.463 8.930 62 HG1 THR 10 1HG THR 10 1.394 3.843 11.390 63 HG21 THR 10 3HG2 THR 10 2.851 1.198 10.556 64 HG22 THR 10 1HG2 THR 10 3.610 2.683 11.128 65 HG23 THR 10 2HG2 THR 10 3.934 2.100 9.493 66 H LEU 11 H LEU 11 1.899 3.852 6.810 67 HA LEU 11 HA LEU 11 4.429 2.923 5.930 68 HB2 LEU 11 2HB LEU 11 2.309 4.266 4.232 69 HB3 LEU 11 1HB LEU 11 3.570 3.176 3.668 70 HG LEU 11 HG LEU 11 1.212 2.487 5.432 71 HD11 LEU 11 1HD1 LEU 11 0.667 0.958 3.560 72 HD12 LEU 11 2HD1 LEU 11 2.049 1.596 2.667 73 HD13 LEU 11 3HD1 LEU 11 0.690 2.649 3.061 74 HD21 LEU 11 3HD2 LEU 11 2.175 0.099 5.063 75 HD22 LEU 11 1HD2 LEU 11 2.866 1.106 6.334 76 HD23 LEU 11 2HD2 LEU 11 3.702 0.927 4.781 77 H ILE 12 H ILE 12 2.862 6.095 5.840 78 HA ILE 12 HA ILE 12 4.944 7.418 4.435 79 HB ILE 12 HB ILE 12 2.953 8.508 6.430 80 HG12 ILE 12 2HG1 ILE 12 2.975 8.632 3.403 81 HG13 ILE 12 1HG1 ILE 12 2.077 7.429 4.306 82 HG21 ILE 12 1HG2 ILE 12 3.539 10.644 4.998 83 HG22 ILE 12 2HG2 ILE 12 5.058 9.790 4.722 84 HG23 ILE 12 3HG2 ILE 12 4.555 10.188 6.365 85 HD11 ILE 12 3HD1 ILE 12 0.823 9.576 3.580 86 HD12 ILE 12 1HD1 ILE 12 1.736 10.373 4.862 87 HD13 ILE 12 2HD1 ILE 12 0.637 9.051 5.255 88 H ASN 13 H ASN 13 4.373 7.015 7.914 89 HA ASN 13 HA ASN 13 6.538 8.561 8.799 90 HB2 ASN 13 2HB ASN 13 5.139 6.221 10.085 91 HB3 ASN 13 1HB ASN 13 6.290 7.267 10.916 92 HD21 ASN 13 1HD2 ASN 13 3.557 7.096 11.764 93 HD22 ASN 13 2HD2 ASN 13 2.811 8.589 11.455 94 H VAL 14 H VAL 14 6.415 5.058 8.034 95 HA VAL 14 HA VAL 14 9.112 4.701 8.938 96 HB VAL 14 HB VAL 14 9.019 2.444 8.096 97 HG11 VAL 14 1HG1 VAL 14 7.446 1.675 9.604 98 HG12 VAL 14 2HG1 VAL 14 6.232 2.851 9.110 99 HG13 VAL 14 3HG1 VAL 14 7.579 3.352 10.129 100 HG21 VAL 14 3HG2 VAL 14 6.562 3.385 6.613 101 HG22 VAL 14 1HG2 VAL 14 6.810 1.691 6.995 102 HG23 VAL 14 2HG2 VAL 14 7.966 2.547 5.973 103 H PHE 15 H PHE 15 7.656 5.211 5.700 104 HA PHE 15 HA PHE 15 10.074 4.865 4.258 105 HB2 PHE 15 2HB PHE 15 7.921 5.026 3.107 106 HB3 PHE 15 1HB PHE 15 7.749 6.704 3.635 107 HD1 PHE 15 1HD PHE 15 10.043 4.425 1.741 108 HD2 PHE 15 2HD PHE 15 8.711 8.451 2.415 109 HE1 PHE 15 1HE PHE 15 11.437 5.214 -0.147 110 HE2 PHE 15 2HE PHE 15 10.097 9.231 0.516 111 HZ PHE 15 HZ PHE 15 11.462 7.610 -0.768 112 H HIS 16 H HIS 16 8.562 7.713 5.699 113 HA HIS 16 HA HIS 16 10.629 9.521 5.027 114 HB2 HIS 16 2HB HIS 16 8.350 10.241 5.734 115 HB3 HIS 16 1HB HIS 16 8.704 9.661 7.361 116 HD1 HIS 16 1HD HIS 16 10.335 12.013 4.823 117 HD2 HIS 16 2HD HIS 16 9.777 11.647 8.939 118 HE1 HIS 16 1HE HIS 16 11.368 14.074 5.871 119 HE2 HIS 16 2HE HIS 16 11.037 13.866 8.381 120 H ALA 17 H ALA 17 10.132 7.319 7.707 121 HA ALA 17 HA ALA 17 12.079 8.342 9.419 122 HB1 ALA 17 1HB ALA 17 12.167 6.158 10.410 123 HB2 ALA 17 2HB ALA 17 11.602 5.383 8.921 124 HB3 ALA 17 3HB ALA 17 10.504 6.395 9.879 125 H HIS 18 H HIS 18 12.394 5.841 6.865 126 HA HIS 18 HA HIS 18 15.284 5.925 7.244 127 HB2 HIS 18 2HB HIS 18 13.487 4.365 5.446 128 HB3 HIS 18 1HB HIS 18 15.236 4.343 5.223 129 HD1 HIS 18 1HD HIS 18 12.728 3.868 8.066 130 HD2 HIS 18 2HD HIS 18 16.530 2.603 6.931 131 HE1 HIS 18 1HE HIS 18 13.484 2.210 9.825 132 HE2 HIS 18 2HE HIS 18 15.803 1.428 9.146 133 H SER 19 H SER 19 13.214 6.893 4.416 134 HA SER 19 HA SER 19 15.392 7.768 2.886 135 HB2 SER 19 2HB SER 19 13.075 7.568 1.991 136 HB3 SER 19 1HB SER 19 12.645 9.027 2.876 137 HG SER 19 HG SER 19 13.363 9.247 0.570 138 H GLY 20 H GLY 20 13.440 9.406 5.340 139 HA2 GLY 20 2HA GLY 20 14.735 11.949 5.158 140 HA3 GLY 20 1HA GLY 20 13.670 11.428 6.428 141 H LYS 21 H LYS 21 15.096 9.187 7.367 142 HA LYS 21 HA LYS 21 16.939 10.401 9.119 143 HB2 LYS 21 2HB LYS 21 15.898 8.272 9.618 144 HB3 LYS 21 1HB LYS 21 16.757 7.498 8.286 145 HG2 LYS 21 2HG LYS 21 18.898 8.039 9.430 146 HG3 LYS 21 1HG LYS 21 17.980 8.764 10.753 147 HD2 LYS 21 2HD LYS 21 18.501 6.483 11.371 148 HD3 LYS 21 1HD LYS 21 16.779 6.574 11.032 149 HE2 LYS 21 2HE LYS 21 18.502 5.934 8.697 150 HE3 LYS 21 1HE LYS 21 18.426 4.694 9.952 151 HZ1 LYS 21 3HZ LYS 21 16.614 4.957 8.021 152 HZ2 LYS 21 1HZ LYS 21 15.891 5.901 9.231 153 HZ3 LYS 21 2HZ LYS 21 16.276 4.276 9.540 154 H GLU 22 H GLU 22 17.556 8.557 6.119 155 HA GLU 22 HA GLU 22 20.245 9.791 6.085 156 HB2 GLU 22 2HB GLU 22 20.402 7.466 6.953 157 HB3 GLU 22 1HB GLU 22 19.696 6.890 5.444 158 HG2 GLU 22 2HG GLU 22 21.559 7.967 4.194 159 HG3 GLU 22 1HG GLU 22 22.284 8.440 5.730 160 H GLY 23 H GLY 23 20.977 10.413 4.077 161 HA2 GLY 23 2HA GLY 23 21.012 10.677 1.774 162 HA3 GLY 23 1HA GLY 23 19.820 9.388 1.650 163 H ASP 24 H ASP 24 18.894 10.797 -0.037 164 HA ASP 24 HA ASP 24 17.727 13.313 0.634 165 HB2 ASP 24 2HB ASP 24 17.096 11.357 -1.585 166 HB3 ASP 24 1HB ASP 24 16.401 12.968 -1.459 167 H LYS 25 H LYS 25 15.681 13.789 1.322 168 HA LYS 25 HA LYS 25 14.421 11.963 3.006 169 HB2 LYS 25 2HB LYS 25 13.219 14.450 1.790 170 HB3 LYS 25 1HB LYS 25 12.628 13.590 3.222 171 HG2 LYS 25 2HG LYS 25 14.898 13.985 4.309 172 HG3 LYS 25 1HG LYS 25 15.309 15.030 2.954 173 HD2 LYS 25 2HD LYS 25 12.895 15.425 4.752 174 HD3 LYS 25 1HD LYS 25 14.423 16.285 4.925 175 HE2 LYS 25 2HE LYS 25 13.982 16.802 2.330 176 HE3 LYS 25 1HE LYS 25 12.306 16.580 2.841 177 HZ1 LYS 25 3HZ LYS 25 13.171 18.893 3.028 178 HZ2 LYS 25 1HZ LYS 25 14.220 18.353 4.245 179 HZ3 LYS 25 2HZ LYS 25 12.539 18.257 4.471 180 H TYR 26 H TYR 26 13.817 12.663 -0.364 181 HA TYR 26 HA TYR 26 11.482 10.859 -0.292 182 HB2 TYR 26 2HB TYR 26 12.326 12.888 -2.364 183 HB3 TYR 26 1HB TYR 26 10.895 11.861 -2.467 184 HD1 TYR 26 2HD TYR 26 9.104 12.041 -0.715 185 HD2 TYR 26 1HD TYR 26 12.349 14.842 -0.989 186 HE1 TYR 26 2HE TYR 26 7.841 13.642 0.695 187 HE2 TYR 26 1HE TYR 26 11.084 16.443 0.423 188 HH TYR 26 HH TYR 26 9.174 16.853 1.469 189 H LYS 27 H LYS 27 14.511 10.081 -0.520 190 HA LYS 27 HA LYS 27 13.977 8.253 -2.789 191 HB2 LYS 27 2HB LYS 27 15.542 10.281 -3.443 192 HB3 LYS 27 1HB LYS 27 16.746 9.367 -2.546 193 HG2 LYS 27 2HG LYS 27 16.995 8.588 -4.751 194 HG3 LYS 27 1HG LYS 27 16.000 7.358 -3.970 195 HD2 LYS 27 2HD LYS 27 13.984 8.203 -4.977 196 HD3 LYS 27 1HD LYS 27 14.779 9.679 -5.499 197 HE2 LYS 27 2HE LYS 27 16.285 8.183 -6.915 198 HE3 LYS 27 1HE LYS 27 15.143 6.882 -6.560 199 HZ1 LYS 27 3HZ LYS 27 13.460 8.765 -7.305 200 HZ2 LYS 27 1HZ LYS 27 14.170 7.693 -8.411 201 HZ3 LYS 27 2HZ LYS 27 14.808 9.256 -8.215 202 H LEU 28 H LEU 28 14.673 6.193 -2.437 203 HA LEU 28 HA LEU 28 16.048 5.757 0.146 204 HB2 LEU 28 2HB LEU 28 13.597 4.997 -0.395 205 HB3 LEU 28 1HB LEU 28 14.376 3.745 -1.318 206 HG LEU 28 HG LEU 28 15.567 2.940 0.678 207 HD11 LEU 28 1HD1 LEU 28 14.432 3.874 2.907 208 HD12 LEU 28 2HD1 LEU 28 14.264 5.337 1.950 209 HD13 LEU 28 3HD1 LEU 28 15.860 4.645 2.239 210 HD21 LEU 28 3HD2 LEU 28 13.239 2.119 0.044 211 HD22 LEU 28 1HD2 LEU 28 12.590 3.257 1.225 212 HD23 LEU 28 2HD2 LEU 28 13.618 1.939 1.762 213 H SER 29 H SER 29 18.054 4.882 0.030 214 HA SER 29 HA SER 29 18.981 3.817 -2.546 215 HB2 SER 29 2HB SER 29 21.221 4.197 -1.724 216 HB3 SER 29 1HB SER 29 20.265 5.651 -1.463 217 HG SER 29 HG SER 29 20.513 3.636 0.497 218 H LYS 30 H LYS 30 20.601 1.968 -2.403 219 HA LYS 30 HA LYS 30 19.389 -0.361 -1.549 220 HB2 LYS 30 2HB LYS 30 21.334 -0.223 -3.079 221 HB3 LYS 30 1HB LYS 30 22.355 0.148 -1.691 222 HG2 LYS 30 2HG LYS 30 21.629 -2.040 -0.654 223 HG3 LYS 30 1HG LYS 30 20.779 -2.399 -2.157 224 HD2 LYS 30 2HD LYS 30 22.968 -3.433 -2.247 225 HD3 LYS 30 1HD LYS 30 22.943 -2.087 -3.388 226 HE2 LYS 30 2HE LYS 30 24.383 -0.811 -2.110 227 HE3 LYS 30 1HE LYS 30 23.816 -1.493 -0.580 228 HZ1 LYS 30 3HZ LYS 30 25.952 -2.360 -2.304 229 HZ2 LYS 30 1HZ LYS 30 24.912 -3.621 -1.853 230 HZ3 LYS 30 2HZ LYS 30 25.680 -2.687 -0.659 231 H LYS 31 H LYS 31 22.005 1.393 0.087 232 HA LYS 31 HA LYS 31 22.234 -0.368 2.246 233 HB2 LYS 31 2HB LYS 31 23.475 1.424 3.316 234 HB3 LYS 31 1HB LYS 31 23.883 1.382 1.598 235 HG2 LYS 31 2HG LYS 31 22.132 3.147 1.214 236 HG3 LYS 31 1HG LYS 31 21.952 3.255 2.965 237 HD2 LYS 31 2HD LYS 31 24.333 3.708 3.148 238 HD3 LYS 31 1HD LYS 31 24.456 3.814 1.399 239 HE2 LYS 31 2HE LYS 31 22.473 5.471 2.965 240 HE3 LYS 31 1HE LYS 31 24.127 6.024 2.709 241 HZ1 LYS 31 3HZ LYS 31 23.812 6.238 0.473 242 HZ2 LYS 31 1HZ LYS 31 22.252 6.616 1.020 243 HZ3 LYS 31 2HZ LYS 31 22.583 5.066 0.407 244 H GLU 32 H GLU 32 20.441 2.686 1.916 245 HA GLU 32 HA GLU 32 19.348 2.715 4.510 246 HB2 GLU 32 2HB GLU 32 18.165 3.821 1.947 247 HB3 GLU 32 1HB GLU 32 17.635 4.238 3.577 248 HG2 GLU 32 2HG GLU 32 19.920 5.069 4.082 249 HG3 GLU 32 1HG GLU 32 20.389 4.723 2.428 250 H LEU 33 H LEU 33 17.803 1.465 1.454 251 HA LEU 33 HA LEU 33 15.463 0.672 2.816 252 HB2 LEU 33 2HB LEU 33 15.028 -0.906 0.930 253 HB3 LEU 33 1HB LEU 33 15.252 0.759 0.478 254 HG LEU 33 HG LEU 33 17.824 -0.149 0.261 255 HD11 LEU 33 1HD1 LEU 33 17.811 -2.295 -0.866 256 HD12 LEU 33 2HD1 LEU 33 16.056 -2.368 -0.838 257 HD13 LEU 33 3HD1 LEU 33 16.973 -2.511 0.666 258 HD21 LEU 33 3HD2 LEU 33 15.531 0.215 -1.663 259 HD22 LEU 33 1HD2 LEU 33 17.053 -0.416 -2.280 260 HD23 LEU 33 2HD2 LEU 33 17.001 1.168 -1.499 261 H LYS 34 H LYS 34 18.539 -0.963 2.298 262 HA LYS 34 HA LYS 34 17.698 -3.477 3.197 263 HB2 LYS 34 2HB LYS 34 19.982 -2.986 2.298 264 HB3 LYS 34 1HB LYS 34 20.350 -2.131 3.794 265 HG2 LYS 34 2HG LYS 34 21.233 -4.304 4.131 266 HG3 LYS 34 1HG LYS 34 19.697 -4.319 4.997 267 HD2 LYS 34 2HD LYS 34 18.606 -5.467 3.150 268 HD3 LYS 34 1HD LYS 34 20.050 -5.314 2.159 269 HE2 LYS 34 2HE LYS 34 20.426 -7.444 2.930 270 HE3 LYS 34 1HE LYS 34 21.108 -6.579 4.309 271 HZ1 LYS 34 3HZ LYS 34 19.606 -8.078 5.232 272 HZ2 LYS 34 1HZ LYS 34 18.431 -7.800 4.042 273 HZ3 LYS 34 2HZ LYS 34 18.748 -6.613 5.214 274 H GLU 35 H GLU 35 18.476 -0.468 4.914 275 HA GLU 35 HA GLU 35 18.338 -1.693 7.515 276 HB2 GLU 35 2HB GLU 35 18.271 1.190 6.630 277 HB3 GLU 35 1HB GLU 35 18.304 0.673 8.315 278 HG2 GLU 35 2HG GLU 35 20.410 -0.566 7.867 279 HG3 GLU 35 1HG GLU 35 20.387 0.031 6.209 280 H LEU 36 H LEU 36 16.020 0.133 5.491 281 HA LEU 36 HA LEU 36 14.066 0.422 7.523 282 HB2 LEU 36 2HB LEU 36 14.225 1.592 5.220 283 HB3 LEU 36 1HB LEU 36 13.389 0.174 4.598 284 HG LEU 36 HG LEU 36 12.353 1.978 6.833 285 HD11 LEU 36 1HD1 LEU 36 11.185 3.165 5.298 286 HD12 LEU 36 2HD1 LEU 36 10.902 1.773 4.262 287 HD13 LEU 36 3HD1 LEU 36 12.439 2.620 4.184 288 HD21 LEU 36 3HD2 LEU 36 11.293 -0.027 7.265 289 HD22 LEU 36 1HD2 LEU 36 11.361 -0.566 5.593 290 HD23 LEU 36 2HD2 LEU 36 10.189 0.650 6.081 291 H LEU 37 H LEU 37 14.415 -2.119 4.968 292 HA LEU 37 HA LEU 37 12.042 -3.467 5.771 293 HB2 LEU 37 2HB LEU 37 14.470 -4.449 4.272 294 HB3 LEU 37 1HB LEU 37 13.113 -5.501 4.655 295 HG LEU 37 HG LEU 37 13.127 -4.325 2.343 296 HD11 LEU 37 1HD1 LEU 37 11.154 -5.477 3.483 297 HD12 LEU 37 2HD1 LEU 37 10.731 -4.240 2.298 298 HD13 LEU 37 3HD1 LEU 37 10.645 -3.876 4.020 299 HD21 LEU 37 3HD2 LEU 37 12.055 -2.044 3.997 300 HD22 LEU 37 1HD2 LEU 37 12.318 -2.076 2.259 301 HD23 LEU 37 2HD2 LEU 37 13.688 -2.088 3.357 302 H GLN 38 H GLN 38 15.445 -3.892 6.744 303 HA GLN 38 HA GLN 38 14.980 -6.140 8.396 304 HB2 GLN 38 2HB GLN 38 17.130 -4.023 8.516 305 HB3 GLN 38 1HB GLN 38 17.127 -5.483 9.502 306 HG2 GLN 38 2HG GLN 38 17.132 -6.877 7.487 307 HG3 GLN 38 1HG GLN 38 17.069 -5.441 6.467 308 HE21 GLN 38 1HE2 GLN 38 19.243 -7.397 6.423 309 HE22 GLN 38 2HE2 GLN 38 20.650 -6.585 6.916 310 H THR 39 H THR 39 14.849 -2.663 9.055 311 HA THR 39 HA THR 39 14.464 -2.980 11.871 312 HB THR 39 HB THR 39 13.888 -0.604 11.857 313 HG1 THR 39 1HG THR 39 14.030 -0.851 9.039 314 HG21 THR 39 3HG2 THR 39 16.165 -0.557 11.852 315 HG22 THR 39 1HG2 THR 39 15.975 0.015 10.196 316 HG23 THR 39 2HG2 THR 39 16.288 -1.692 10.510 317 H GLU 40 H GLU 40 12.298 -2.803 9.100 318 HA GLU 40 HA GLU 40 9.987 -2.822 10.916 319 HB2 GLU 40 2HB GLU 40 10.252 -2.259 7.973 320 HB3 GLU 40 1HB GLU 40 8.711 -2.420 8.789 321 HG2 GLU 40 2HG GLU 40 10.865 -0.442 9.566 322 HG3 GLU 40 1HG GLU 40 9.427 -0.050 8.627 323 H LEU 41 H LEU 41 10.855 -4.528 7.858 324 HA LEU 41 HA LEU 41 9.112 -6.727 8.749 325 HB2 LEU 41 2HB LEU 41 10.399 -6.318 6.047 326 HB3 LEU 41 1HB LEU 41 9.192 -7.526 6.458 327 HG LEU 41 HG LEU 41 8.799 -4.516 6.433 328 HD11 LEU 41 1HD1 LEU 41 7.521 -4.864 4.493 329 HD12 LEU 41 2HD1 LEU 41 7.298 -6.581 4.838 330 HD13 LEU 41 3HD1 LEU 41 8.860 -5.991 4.277 331 HD21 LEU 41 3HD2 LEU 41 7.057 -6.780 7.424 332 HD22 LEU 41 1HD2 LEU 41 6.322 -5.334 6.735 333 HD23 LEU 41 2HD2 LEU 41 7.343 -5.198 8.161 334 H SER 42 H SER 42 9.775 -8.788 9.069 335 HA SER 42 HA SER 42 12.713 -9.196 9.058 336 HB2 SER 42 2HB SER 42 10.569 -9.939 10.952 337 HB3 SER 42 1HB SER 42 11.795 -11.173 10.673 338 HG SER 42 HG SER 42 13.129 -8.970 10.884 339 H GLY 43 H GLY 43 9.752 -11.170 8.866 340 HA2 GLY 43 2HA GLY 43 10.912 -13.415 7.705 341 HA3 GLY 43 1HA GLY 43 9.210 -13.008 7.619 342 H PHE 44 H PHE 44 9.459 -10.603 6.008 343 HA PHE 44 HA PHE 44 9.425 -11.806 3.468 344 HB2 PHE 44 2HB PHE 44 9.634 -8.916 4.296 345 HB3 PHE 44 1HB PHE 44 9.470 -9.426 2.615 346 HD1 PHE 44 1HD PHE 44 7.437 -10.541 1.822 347 HD2 PHE 44 2HD PHE 44 7.786 -9.181 5.880 348 HE1 PHE 44 1HE PHE 44 4.989 -10.795 2.120 349 HE2 PHE 44 2HE PHE 44 5.340 -9.431 6.176 350 HZ PHE 44 HZ PHE 44 3.941 -10.238 4.296 351 H LEU 45 H LEU 45 11.950 -9.652 4.839 352 HA LEU 45 HA LEU 45 13.677 -10.108 2.584 353 HB2 LEU 45 2HB LEU 45 13.806 -8.519 5.074 354 HB3 LEU 45 1HB LEU 45 15.362 -9.130 4.519 355 HG LEU 45 HG LEU 45 14.706 -6.859 3.580 356 HD11 LEU 45 1HD1 LEU 45 15.809 -9.214 2.285 357 HD12 LEU 45 2HD1 LEU 45 16.259 -7.517 2.086 358 HD13 LEU 45 3HD1 LEU 45 14.981 -8.205 1.089 359 HD21 LEU 45 3HD2 LEU 45 12.244 -8.041 3.140 360 HD22 LEU 45 1HD2 LEU 45 12.973 -8.118 1.532 361 HD23 LEU 45 2HD2 LEU 45 12.808 -6.571 2.354 362 H ASP 46 H ASP 46 13.427 -11.430 5.807 363 HA ASP 46 HA ASP 46 15.813 -12.876 5.798 364 HB2 ASP 46 2HB ASP 46 14.376 -12.483 7.804 365 HB3 ASP 46 1HB ASP 46 13.237 -13.672 7.174 366 H ALA 47 H ALA 47 12.720 -13.551 4.339 367 HA ALA 47 HA ALA 47 12.863 -16.299 3.996 368 HB1 ALA 47 1HB ALA 47 11.345 -15.954 2.073 369 HB2 ALA 47 2HB ALA 47 11.674 -14.223 2.148 370 HB3 ALA 47 3HB ALA 47 10.856 -15.025 3.489 371 H GLN 48 H GLN 48 14.573 -13.777 2.190 372 HA GLN 48 HA GLN 48 15.412 -15.758 0.193 373 HB2 GLN 48 2HB GLN 48 16.229 -12.864 0.477 374 HB3 GLN 48 1HB GLN 48 16.473 -13.903 -0.929 375 HG2 GLN 48 2HG GLN 48 13.814 -12.999 0.206 376 HG3 GLN 48 1HG GLN 48 14.535 -12.488 -1.322 377 HE21 GLN 48 1HE2 GLN 48 12.165 -14.459 -0.196 378 HE22 GLN 48 2HE2 GLN 48 12.204 -15.677 -1.380 379 H LYS 49 H LYS 49 17.076 -17.023 0.602 380 HA LYS 49 HA LYS 49 18.804 -16.748 2.795 381 HB2 LYS 49 2HB LYS 49 19.047 -18.431 0.304 382 HB3 LYS 49 1HB LYS 49 20.083 -18.598 1.722 383 HG2 LYS 49 2HG LYS 49 18.044 -18.981 3.115 384 HG3 LYS 49 1HG LYS 49 17.071 -18.934 1.645 385 HD2 LYS 49 2HD LYS 49 18.436 -20.821 0.733 386 HD3 LYS 49 1HD LYS 49 19.282 -20.910 2.279 387 HE2 LYS 49 2HE LYS 49 17.018 -21.210 3.382 388 HE3 LYS 49 1HE LYS 49 16.336 -21.387 1.765 389 HZ1 LYS 49 3HZ LYS 49 17.281 -23.419 3.200 390 HZ2 LYS 49 1HZ LYS 49 18.675 -23.006 2.329 391 HZ3 LYS 49 2HZ LYS 49 17.247 -23.407 1.501 392 H ASP 50 H ASP 50 19.263 -15.788 -0.583 393 HA ASP 50 HA ASP 50 22.055 -15.357 -0.339 394 HB2 ASP 50 2HB ASP 50 20.068 -14.250 -2.316 395 HB3 ASP 50 1HB ASP 50 21.817 -14.036 -2.425 396 H VAL 51 H VAL 51 23.263 -13.570 0.023 397 HA VAL 51 HA VAL 51 22.122 -11.479 1.638 398 HB VAL 51 HB VAL 51 24.346 -10.660 1.878 399 HG11 VAL 51 1HG1 VAL 51 25.284 -12.475 2.921 400 HG12 VAL 51 2HG1 VAL 51 25.039 -13.540 1.538 401 HG13 VAL 51 3HG1 VAL 51 23.691 -13.163 2.610 402 HG21 VAL 51 3HG2 VAL 51 26.205 -11.589 0.417 403 HG22 VAL 51 1HG2 VAL 51 25.069 -10.525 -0.410 404 HG23 VAL 51 2HG2 VAL 51 24.954 -12.272 -0.619 405 H ASP 52 H ASP 52 22.937 -11.979 -1.679 406 HA ASP 52 HA ASP 52 22.857 -9.195 -2.455 407 HB2 ASP 52 2HB ASP 52 22.860 -11.765 -4.054 408 HB3 ASP 52 1HB ASP 52 22.902 -10.155 -4.770 409 H ALA 53 H ALA 53 20.580 -11.235 -1.376 410 HA ALA 53 HA ALA 53 18.483 -11.161 -3.214 411 HB1 ALA 53 1HB ALA 53 17.025 -11.506 -1.298 412 HB2 ALA 53 2HB ALA 53 18.306 -10.998 -0.198 413 HB3 ALA 53 3HB ALA 53 18.480 -12.491 -1.124 414 H VAL 54 H VAL 54 19.591 -8.741 -0.865 415 HA VAL 54 HA VAL 54 17.414 -6.963 -1.087 416 HB VAL 54 HB VAL 54 19.310 -6.788 0.575 417 HG11 VAL 54 1HG1 VAL 54 21.404 -5.882 -0.092 418 HG12 VAL 54 2HG1 VAL 54 20.783 -5.400 -1.670 419 HG13 VAL 54 3HG1 VAL 54 21.051 -7.106 -1.311 420 HG21 VAL 54 3HG2 VAL 54 19.521 -4.208 0.183 421 HG22 VAL 54 1HG2 VAL 54 17.929 -4.888 0.517 422 HG23 VAL 54 2HG2 VAL 54 18.392 -4.488 -1.138 423 H ASP 55 H ASP 55 20.421 -7.264 -2.948 424 HA ASP 55 HA ASP 55 20.001 -5.056 -4.649 425 HB2 ASP 55 2HB ASP 55 21.481 -7.650 -5.053 426 HB3 ASP 55 1HB ASP 55 21.554 -6.303 -6.189 427 H LYS 56 H LYS 56 19.096 -8.465 -4.854 428 HA LYS 56 HA LYS 56 17.952 -8.388 -7.430 429 HB2 LYS 56 2HB LYS 56 17.285 -10.118 -5.036 430 HB3 LYS 56 1HB LYS 56 16.705 -10.410 -6.677 431 HG2 LYS 56 2HG LYS 56 19.074 -10.513 -7.455 432 HG3 LYS 56 1HG LYS 56 19.602 -10.342 -5.780 433 HD2 LYS 56 2HD LYS 56 18.308 -12.398 -5.205 434 HD3 LYS 56 1HD LYS 56 17.921 -12.596 -6.915 435 HE2 LYS 56 2HE LYS 56 20.727 -12.498 -5.771 436 HE3 LYS 56 1HE LYS 56 19.879 -13.970 -6.243 437 HZ1 LYS 56 3HZ LYS 56 20.286 -13.592 -8.384 438 HZ2 LYS 56 1HZ LYS 56 21.431 -12.453 -7.867 439 HZ3 LYS 56 2HZ LYS 56 19.861 -11.951 -8.280 440 H VAL 57 H VAL 57 16.660 -7.663 -4.225 441 HA VAL 57 HA VAL 57 13.955 -7.368 -4.997 442 HB VAL 57 HB VAL 57 15.519 -6.172 -2.701 443 HG11 VAL 57 1HG1 VAL 57 12.622 -5.990 -3.490 444 HG12 VAL 57 2HG1 VAL 57 13.685 -4.727 -2.870 445 HG13 VAL 57 3HG1 VAL 57 13.075 -5.975 -1.785 446 HG21 VAL 57 3HG2 VAL 57 14.747 -7.983 -1.431 447 HG22 VAL 57 1HG2 VAL 57 15.045 -8.744 -2.995 448 HG23 VAL 57 2HG2 VAL 57 13.403 -8.304 -2.529 449 H MET 58 H MET 58 16.602 -4.991 -4.689 450 HA MET 58 HA MET 58 14.929 -2.801 -5.378 451 HB2 MET 58 2HB MET 58 16.732 -1.424 -5.095 452 HB3 MET 58 1HB MET 58 17.166 -2.792 -4.086 453 HG2 MET 58 2HG MET 58 19.121 -2.858 -5.219 454 HG3 MET 58 1HG MET 58 18.222 -3.440 -6.607 455 HE1 MET 58 3HE MET 58 20.182 0.195 -5.418 456 HE2 MET 58 1HE MET 58 19.001 -0.683 -4.437 457 HE3 MET 58 2HE MET 58 18.526 0.781 -5.294 458 H LYS 59 H LYS 59 16.873 -4.931 -7.447 459 HA LYS 59 HA LYS 59 17.043 -3.250 -9.682 460 HB2 LYS 59 2HB LYS 59 16.794 -6.236 -9.609 461 HB3 LYS 59 1HB LYS 59 17.227 -5.277 -11.026 462 HG2 LYS 59 2HG LYS 59 18.941 -4.279 -9.053 463 HG3 LYS 59 1HG LYS 59 18.862 -6.000 -8.685 464 HD2 LYS 59 2HD LYS 59 19.393 -4.869 -11.407 465 HD3 LYS 59 1HD LYS 59 20.667 -5.403 -10.304 466 HE2 LYS 59 2HE LYS 59 18.441 -7.143 -11.428 467 HE3 LYS 59 1HE LYS 59 20.142 -7.210 -11.887 468 HZ1 LYS 59 3HZ LYS 59 19.917 -7.382 -9.086 469 HZ2 LYS 59 1HZ LYS 59 20.550 -8.521 -10.171 470 HZ3 LYS 59 2HZ LYS 59 18.894 -8.540 -9.793 471 H GLU 60 H GLU 60 14.359 -5.439 -8.757 472 HA GLU 60 HA GLU 60 12.915 -4.895 -11.175 473 HB2 GLU 60 2HB GLU 60 11.144 -6.167 -10.248 474 HB3 GLU 60 1HB GLU 60 12.621 -6.931 -9.663 475 HG2 GLU 60 2HG GLU 60 12.406 -5.598 -7.556 476 HG3 GLU 60 1HG GLU 60 10.854 -5.000 -8.132 477 H LEU 61 H LEU 61 13.001 -3.518 -7.954 478 HA LEU 61 HA LEU 61 10.701 -1.881 -8.207 479 HB2 LEU 61 2HB LEU 61 13.133 -1.505 -6.458 480 HB3 LEU 61 1HB LEU 61 11.614 -0.636 -6.285 481 HG LEU 61 HG LEU 61 11.942 -3.638 -6.036 482 HD11 LEU 61 1HD1 LEU 61 12.786 -1.829 -4.210 483 HD12 LEU 61 2HD1 LEU 61 12.066 -3.365 -3.750 484 HD13 LEU 61 3HD1 LEU 61 11.082 -1.902 -3.762 485 HD21 LEU 61 3HD2 LEU 61 9.585 -1.778 -6.022 486 HD22 LEU 61 1HD2 LEU 61 9.567 -3.159 -4.944 487 HD23 LEU 61 2HD2 LEU 61 9.709 -3.421 -6.667 488 H ASP 62 H ASP 62 14.092 -1.328 -9.058 489 HA ASP 62 HA ASP 62 13.655 1.473 -9.404 490 HB2 ASP 62 2HB ASP 62 15.904 0.479 -9.040 491 HB3 ASP 62 1HB ASP 62 15.824 -0.199 -10.668 492 H GLU 63 H GLU 63 11.870 1.743 -10.658 493 HA GLU 63 HA GLU 63 11.444 0.627 -13.243 494 HB2 GLU 63 2HB GLU 63 9.650 1.639 -11.966 495 HB3 GLU 63 1HB GLU 63 10.523 3.174 -11.898 496 HG2 GLU 63 2HG GLU 63 10.403 3.381 -14.321 497 HG3 GLU 63 1HG GLU 63 9.506 1.847 -14.431 498 H ASN 64 H ASN 64 12.667 3.630 -12.087 499 HA ASN 64 HA ASN 64 13.156 5.015 -14.427 500 HB2 ASN 64 2HB ASN 64 14.472 4.986 -11.766 501 HB3 ASN 64 1HB ASN 64 14.649 6.310 -12.913 502 HD21 ASN 64 1HD2 ASN 64 12.059 6.738 -13.777 503 HD22 ASN 64 2HD2 ASN 64 11.033 7.067 -12.464 504 H GLY 65 H GLY 65 15.183 2.686 -12.701 505 HA2 GLY 65 2HA GLY 65 16.994 1.460 -13.611 506 HA3 GLY 65 1HA GLY 65 17.035 2.576 -14.981 507 H ASP 66 H ASP 66 16.556 4.320 -12.284 508 HA ASP 66 HA ASP 66 18.963 5.728 -12.298 509 HB2 ASP 66 2HB ASP 66 18.012 6.837 -10.311 510 HB3 ASP 66 1HB ASP 66 16.811 6.655 -11.588 511 H GLY 67 H GLY 67 17.958 2.976 -10.366 512 HA2 GLY 67 2HA GLY 67 19.529 1.489 -9.337 513 HA3 GLY 67 1HA GLY 67 20.661 2.837 -9.201 514 H GLU 68 H GLU 68 17.863 4.191 -8.535 515 HA GLU 68 HA GLU 68 18.003 3.715 -5.626 516 HB2 GLU 68 2HB GLU 68 17.170 6.160 -7.174 517 HB3 GLU 68 1HB GLU 68 16.913 5.969 -5.448 518 HG2 GLU 68 2HG GLU 68 18.891 7.189 -5.549 519 HG3 GLU 68 1HG GLU 68 19.468 5.528 -5.354 520 H VAL 69 H VAL 69 16.061 3.748 -4.461 521 HA VAL 69 HA VAL 69 13.693 2.940 -6.026 522 HB VAL 69 HB VAL 69 14.343 2.466 -3.107 523 HG11 VAL 69 1HG1 VAL 69 12.192 1.272 -4.864 524 HG12 VAL 69 2HG1 VAL 69 11.926 2.519 -3.642 525 HG13 VAL 69 3HG1 VAL 69 12.464 0.910 -3.161 526 HG21 VAL 69 3HG2 VAL 69 15.879 1.233 -4.540 527 HG22 VAL 69 1HG2 VAL 69 14.527 0.606 -5.484 528 HG23 VAL 69 2HG2 VAL 69 14.726 0.123 -3.799 529 H ASP 70 H ASP 70 11.924 4.305 -5.961 530 HA ASP 70 HA ASP 70 12.192 6.638 -4.162 531 HB2 ASP 70 2HB ASP 70 10.768 7.853 -5.631 532 HB3 ASP 70 1HB ASP 70 11.943 7.017 -6.633 533 H PHE 71 H PHE 71 10.038 7.574 -3.459 534 HA PHE 71 HA PHE 71 8.871 5.952 -1.536 535 HB2 PHE 71 2HB PHE 71 8.828 8.513 -1.931 536 HB3 PHE 71 1HB PHE 71 7.435 8.199 -2.949 537 HD1 PHE 71 1HD PHE 71 6.759 5.732 -0.743 538 HD2 PHE 71 2HD PHE 71 7.250 9.995 -0.706 539 HE1 PHE 71 1HE PHE 71 5.292 5.884 1.246 540 HE2 PHE 71 2HE PHE 71 5.798 10.133 1.280 541 HZ PHE 71 HZ PHE 71 4.824 8.085 2.258 542 H GLN 72 H GLN 72 7.678 6.702 -4.833 543 HA GLN 72 HA GLN 72 5.243 5.268 -4.623 544 HB2 GLN 72 2HB GLN 72 6.933 5.937 -7.045 545 HB3 GLN 72 1HB GLN 72 5.295 5.285 -7.121 546 HG2 GLN 72 2HG GLN 72 4.456 7.213 -5.857 547 HG3 GLN 72 1HG GLN 72 6.075 7.868 -5.725 548 HE21 GLN 72 1HE2 GLN 72 4.066 9.399 -6.924 549 HE22 GLN 72 2HE2 GLN 72 4.374 9.523 -8.584 550 H GLU 73 H GLU 73 8.477 4.200 -5.717 551 HA GLU 73 HA GLU 73 7.690 1.623 -6.582 552 HB2 GLU 73 2HB GLU 73 10.329 2.664 -5.550 553 HB3 GLU 73 1HB GLU 73 10.123 1.082 -6.292 554 HG2 GLU 73 2HG GLU 73 9.316 2.192 -8.367 555 HG3 GLU 73 1HG GLU 73 9.589 3.760 -7.624 556 H TYR 74 H TYR 74 8.843 2.926 -3.527 557 HA TYR 74 HA TYR 74 8.982 0.532 -2.022 558 HB2 TYR 74 2HB TYR 74 10.004 2.709 -1.383 559 HB3 TYR 74 1HB TYR 74 8.392 3.355 -1.090 560 HD1 TYR 74 2HD TYR 74 7.043 2.578 0.800 561 HD2 TYR 74 1HD TYR 74 10.993 1.054 0.084 562 HE1 TYR 74 2HE TYR 74 7.085 1.610 3.084 563 HE2 TYR 74 1HE TYR 74 11.035 0.098 2.368 564 HH TYR 74 HH TYR 74 9.038 0.976 4.762 565 H VAL 75 H VAL 75 6.505 2.908 -2.587 566 HA VAL 75 HA VAL 75 4.562 1.965 -0.794 567 HB VAL 75 HB VAL 75 4.736 4.113 -2.652 568 HG11 VAL 75 1HG1 VAL 75 3.570 2.935 -4.386 569 HG12 VAL 75 2HG1 VAL 75 2.457 4.089 -3.662 570 HG13 VAL 75 3HG1 VAL 75 2.342 2.390 -3.260 571 HG21 VAL 75 3HG2 VAL 75 3.903 4.468 -0.460 572 HG22 VAL 75 1HG2 VAL 75 2.613 3.278 -0.675 573 HG23 VAL 75 2HG2 VAL 75 2.559 4.805 -1.555 574 H VAL 76 H VAL 76 5.023 1.223 -4.278 575 HA VAL 76 HA VAL 76 2.818 -0.604 -4.227 576 HB VAL 76 HB VAL 76 3.537 -1.392 -6.385 577 HG11 VAL 76 1HG1 VAL 76 4.236 1.538 -6.400 578 HG12 VAL 76 2HG1 VAL 76 2.601 1.010 -5.997 579 HG13 VAL 76 3HG1 VAL 76 3.293 0.619 -7.572 580 HG21 VAL 76 3HG2 VAL 76 5.984 -1.536 -5.817 581 HG22 VAL 76 1HG2 VAL 76 6.060 0.211 -5.986 582 HG23 VAL 76 2HG2 VAL 76 5.660 -0.781 -7.376 583 H LEU 77 H LEU 77 6.295 -0.900 -3.499 584 HA LEU 77 HA LEU 77 6.405 -3.713 -3.467 585 HB2 LEU 77 2HB LEU 77 8.413 -2.350 -3.182 586 HB3 LEU 77 1HB LEU 77 7.802 -1.717 -1.665 587 HG LEU 77 HG LEU 77 7.804 -4.144 -0.808 588 HD11 LEU 77 1HD1 LEU 77 8.174 -5.042 -3.262 589 HD12 LEU 77 2HD1 LEU 77 8.979 -5.822 -1.909 590 HD13 LEU 77 3HD1 LEU 77 9.861 -4.694 -2.915 591 HD21 LEU 77 3HD2 LEU 77 10.147 -4.012 -0.209 592 HD22 LEU 77 1HD2 LEU 77 9.467 -2.385 -0.225 593 HD23 LEU 77 2HD2 LEU 77 10.469 -2.934 -1.569 594 H VAL 78 H VAL 78 5.585 -1.502 -0.738 595 HA VAL 78 HA VAL 78 5.026 -3.719 0.980 596 HB VAL 78 HB VAL 78 3.958 -2.152 2.524 597 HG11 VAL 78 1HG1 VAL 78 6.219 -2.214 2.900 598 HG12 VAL 78 2HG1 VAL 78 5.997 -0.495 2.573 599 HG13 VAL 78 3HG1 VAL 78 6.621 -1.559 1.310 600 HG21 VAL 78 3HG2 VAL 78 2.886 -0.675 0.801 601 HG22 VAL 78 1HG2 VAL 78 4.474 0.008 0.451 602 HG23 VAL 78 2HG2 VAL 78 3.760 0.210 2.043 603 H ALA 79 H ALA 79 2.977 -1.786 -1.182 604 HA ALA 79 HA ALA 79 0.521 -2.870 -0.159 605 HB1 ALA 79 1HB ALA 79 -0.511 -1.625 -1.756 606 HB2 ALA 79 2HB ALA 79 0.660 -2.044 -3.011 607 HB3 ALA 79 3HB ALA 79 1.055 -0.834 -1.800 608 H ALA 80 H ALA 80 2.472 -3.726 -3.009 609 HA ALA 80 HA ALA 80 0.838 -5.864 -3.861 610 HB1 ALA 80 1HB ALA 80 2.428 -4.951 -5.400 611 HB2 ALA 80 2HB ALA 80 2.937 -6.609 -5.067 612 HB3 ALA 80 3HB ALA 80 3.771 -5.259 -4.295 613 H LEU 81 H LEU 81 3.582 -5.627 -1.609 614 HA LEU 81 HA LEU 81 3.707 -8.441 -1.163 615 HB2 LEU 81 2HB LEU 81 4.853 -6.067 0.233 616 HB3 LEU 81 1HB LEU 81 4.744 -7.579 1.131 617 HG LEU 81 HG LEU 81 5.932 -8.733 -0.753 618 HD11 LEU 81 1HD1 LEU 81 5.302 -6.810 -2.412 619 HD12 LEU 81 2HD1 LEU 81 6.859 -7.608 -2.569 620 HD13 LEU 81 3HD1 LEU 81 6.752 -6.042 -1.782 621 HD21 LEU 81 3HD2 LEU 81 7.241 -8.080 1.149 622 HD22 LEU 81 1HD2 LEU 81 7.300 -6.402 0.609 623 HD23 LEU 81 2HD2 LEU 81 8.170 -7.648 -0.286 624 H THR 82 H THR 82 1.755 -5.826 0.203 625 HA THR 82 HA THR 82 0.743 -7.273 2.421 626 HB THR 82 HB THR 82 -0.695 -5.182 0.770 627 HG1 THR 82 1HG THR 82 0.412 -3.713 1.874 628 HG21 THR 82 3HG2 THR 82 -2.140 -4.922 2.547 629 HG22 THR 82 1HG2 THR 82 -0.956 -5.476 3.729 630 HG23 THR 82 2HG2 THR 82 -1.798 -6.642 2.710 631 H VAL 83 H VAL 83 -0.621 -6.843 -0.872 632 HA VAL 83 HA VAL 83 -2.807 -8.615 -0.362 633 HB VAL 83 HB VAL 83 -2.887 -7.019 -2.240 634 HG11 VAL 83 1HG1 VAL 83 -1.117 -8.907 -3.792 635 HG12 VAL 83 2HG1 VAL 83 -0.469 -7.501 -2.965 636 HG13 VAL 83 3HG1 VAL 83 -1.647 -7.285 -4.226 637 HG21 VAL 83 3HG2 VAL 83 -4.112 -9.345 -2.099 638 HG22 VAL 83 1HG2 VAL 83 -3.069 -9.757 -3.463 639 HG23 VAL 83 2HG2 VAL 83 -4.192 -8.401 -3.588 640 H ALA 84 H ALA 84 0.438 -9.189 -1.659 641 HA ALA 84 HA ALA 84 -0.000 -11.919 -2.319 642 HB1 ALA 84 1HB ALA 84 2.349 -12.079 -2.570 643 HB2 ALA 84 2HB ALA 84 2.635 -10.721 -1.479 644 HB3 ALA 84 3HB ALA 84 1.930 -10.441 -3.072 645 H CYS 85 H CHC 85 0.755 -10.207 0.614 646 HA CYS 85 HA CHC 85 1.639 -12.433 2.142 647 HB2 CYS 85 2HB CHC 85 1.990 -9.996 2.731 648 HB3 CYS 85 1HB CHC 85 0.293 -9.942 3.203 649 H ASN 86 H ASN 86 -1.509 -10.680 2.083 650 HA ASN 86 HA ASN 86 -2.801 -12.524 3.784 651 HB2 ASN 86 2HB ASN 86 -3.733 -10.300 2.978 652 HB3 ASN 86 1HB ASN 86 -4.154 -11.126 1.478 653 HD21 ASN 86 1HD2 ASN 86 -6.270 -10.118 3.016 654 HD22 ASN 86 2HD2 ASN 86 -7.103 -11.400 3.753 655 H ASN 87 H ASN 87 -2.291 -12.501 0.272 656 HA ASN 87 HA ASN 87 -3.806 -14.801 -0.369 657 HB2 ASN 87 2HB ASN 87 -1.276 -13.694 -1.612 658 HB3 ASN 87 1HB ASN 87 -2.273 -14.952 -2.338 659 HD21 ASN 87 1HD2 ASN 87 -1.879 -12.439 -3.651 660 HD22 ASN 87 2HD2 ASN 87 -3.359 -11.608 -3.667 661 H PHE 88 H PHE 88 -0.515 -14.381 0.820 662 HA PHE 88 HA PHE 88 0.323 -17.064 0.552 663 HB2 PHE 88 2HB PHE 88 1.856 -15.150 0.940 664 HB3 PHE 88 1HB PHE 88 1.240 -15.024 2.588 665 HD1 PHE 88 1HD PHE 88 3.106 -17.178 0.220 666 HD2 PHE 88 2HD PHE 88 1.869 -16.603 4.293 667 HE1 PHE 88 1HE PHE 88 4.683 -18.948 0.949 668 HE2 PHE 88 2HE PHE 88 3.447 -18.372 5.021 669 HZ PHE 88 HZ PHE 88 4.854 -19.546 3.349 670 H PHE 89 H PHE 89 -1.132 -15.316 3.299 671 HA PHE 89 HA PHE 89 -1.007 -17.481 5.106 672 HB2 PHE 89 2HB PHE 89 -1.393 -15.124 5.767 673 HB3 PHE 89 1HB PHE 89 -3.008 -15.216 5.064 674 HD1 PHE 89 2HD PHE 89 -0.798 -16.524 7.734 675 HD2 PHE 89 1HD PHE 89 -4.793 -16.407 6.160 676 HE1 PHE 89 2HE PHE 89 -1.653 -17.540 9.829 677 HE2 PHE 89 1HE PHE 89 -5.648 -17.423 8.256 678 HZ PHE 89 HZ PHE 89 -4.077 -17.989 10.090 679 H TRP 90 H TRP 90 -3.752 -16.319 3.107 680 HA TRP 90 HA TRP 90 -5.500 -18.420 3.886 681 HB2 TRP 90 2HB TRP 90 -6.329 -16.330 2.906 682 HB3 TRP 90 1HB TRP 90 -5.582 -16.775 1.364 683 HD1 TRP 90 HD TRP 90 -6.389 -19.092 0.277 684 HE1 TRP 90 1HE TRP 90 -8.702 -20.227 0.280 685 HE3 TRP 90 3HE TRP 90 -8.508 -16.678 4.226 686 HZ2 TRP 90 2HZ TRP 90 -11.143 -20.115 1.784 687 HZ3 TRP 90 3HZ TRP 90 -10.824 -17.209 4.932 688 HH2 TRP 90 HH TRP 90 -12.141 -18.923 3.719 689 H GLU 91 H GLU 91 -3.287 -18.040 1.205 690 HA GLU 91 HA GLU 91 -4.002 -20.715 0.221 691 HB2 GLU 91 2HB GLU 91 -3.839 -18.391 -1.088 692 HB3 GLU 91 1HB GLU 91 -2.158 -18.891 -1.250 693 HG2 GLU 91 2HG GLU 91 -4.521 -20.656 -1.977 694 HG3 GLU 91 1HG GLU 91 -3.635 -19.669 -3.139 695 H ASN 92 H ASN 92 -2.549 -22.360 0.065 696 HA ASN 92 HA ASN 92 0.063 -21.942 1.379 697 HB2 ASN 92 2HB ASN 92 -1.494 -24.493 0.894 698 HB3 ASN 92 1HB ASN 92 0.049 -24.376 1.740 699 HD21 ASN 92 1HD2 ASN 92 -0.385 -22.051 3.300 700 HD22 ASN 92 2HD2 ASN 92 -1.641 -22.353 4.401 701 H SER 93 H SER 93 1.940 -22.380 0.336 702 HA SER 93 HA SER 93 2.174 -24.007 -1.975 703 HB2 SER 93 2HB SER 93 1.094 -22.354 -3.259 704 HB3 SER 93 1HB SER 93 1.879 -21.039 -2.388 705 HG SER 93 HG SER 93 3.685 -22.725 -3.494 706 H1 GLY 1 H GLY 1 5.776 -7.556 17.356 707 HA2 GLY 1 2HA GLY 1 6.914 -8.087 15.307 708 HA3 GLY 1 1HA GLY 1 5.445 -7.675 14.427 709 H SER 2 H SER 2 5.804 -5.938 13.206 710 HA SER 2 HA SER 2 7.213 -3.627 14.413 711 HB2 SER 2 2HB SER 2 8.213 -3.145 12.273 712 HB3 SER 2 1HB SER 2 8.601 -4.805 12.707 713 HG SER 2 HG SER 2 6.713 -3.833 10.844 714 H GLU 3 H GLU 3 6.558 -1.537 13.570 715 HA GLU 3 HA GLU 3 3.770 -1.230 13.432 716 HB2 GLU 3 2HB GLU 3 6.001 0.645 12.640 717 HB3 GLU 3 1HB GLU 3 4.308 1.118 12.742 718 HG2 GLU 3 2HG GLU 3 4.268 0.409 15.108 719 HG3 GLU 3 1HG GLU 3 5.979 -0.000 15.004 720 H LEU 4 H LEU 4 6.197 -1.335 10.812 721 HA LEU 4 HA LEU 4 4.432 -0.506 8.749 722 HB2 LEU 4 2HB LEU 4 7.015 -0.884 8.737 723 HB3 LEU 4 1HB LEU 4 6.595 -2.554 8.366 724 HG LEU 4 HG LEU 4 5.540 -0.194 6.788 725 HD11 LEU 4 1HD1 LEU 4 8.095 -0.433 6.760 726 HD12 LEU 4 2HD1 LEU 4 7.261 -0.405 5.209 727 HD13 LEU 4 3HD1 LEU 4 7.824 -1.934 5.872 728 HD21 LEU 4 3HD2 LEU 4 4.219 -1.790 5.943 729 HD22 LEU 4 1HD2 LEU 4 5.178 -3.109 6.603 730 HD23 LEU 4 2HD2 LEU 4 5.643 -2.356 5.085 731 H GLU 5 H GLU 5 5.286 -3.646 10.118 732 HA GLU 5 HA GLU 5 3.757 -5.268 8.379 733 HB2 GLU 5 2HB GLU 5 5.599 -5.848 10.195 734 HB3 GLU 5 1HB GLU 5 4.197 -6.028 11.246 735 HG2 GLU 5 2HG GLU 5 4.472 -7.418 8.566 736 HG3 GLU 5 1HG GLU 5 4.931 -8.152 10.097 737 H THR 6 H THR 6 3.071 -3.654 11.444 738 HA THR 6 HA THR 6 0.507 -4.734 11.892 739 HB THR 6 HB THR 6 1.492 -1.962 12.615 740 HG1 THR 6 1HG THR 6 1.689 -3.440 14.674 741 HG21 THR 6 3HG2 THR 6 -0.124 -2.289 14.514 742 HG22 THR 6 1HG2 THR 6 -0.689 -3.754 13.711 743 HG23 THR 6 2HG2 THR 6 -0.895 -2.185 12.932 744 H ALA 7 H ALA 7 1.661 -1.962 10.034 745 HA ALA 7 HA ALA 7 -0.880 -0.920 9.336 746 HB1 ALA 7 1HB ALA 7 1.551 -0.791 7.559 747 HB2 ALA 7 2HB ALA 7 1.451 0.145 9.049 748 HB3 ALA 7 3HB ALA 7 0.278 0.411 7.763 749 H MET 8 H MET 8 1.283 -3.259 7.739 750 HA MET 8 HA MET 8 -0.277 -3.679 5.413 751 HB2 MET 8 2HB MET 8 1.565 -5.529 6.964 752 HB3 MET 8 1HB MET 8 0.912 -5.908 5.370 753 HG2 MET 8 2HG MET 8 1.970 -3.875 4.450 754 HG3 MET 8 1HG MET 8 2.628 -3.492 6.027 755 HE1 MET 8 3HE MET 8 2.398 -7.031 4.028 756 HE2 MET 8 1HE MET 8 3.876 -6.751 3.099 757 HE3 MET 8 2HE MET 8 2.542 -5.608 2.997 758 H GLU 9 H GLU 9 -0.356 -5.143 8.633 759 HA GLU 9 HA GLU 9 -2.383 -7.047 8.083 760 HB2 GLU 9 2HB GLU 9 -1.527 -5.741 10.675 761 HB3 GLU 9 1HB GLU 9 -2.691 -7.062 10.574 762 HG2 GLU 9 2HG GLU 9 0.162 -7.175 9.554 763 HG3 GLU 9 1HG GLU 9 -0.400 -7.884 11.063 764 H THR 10 H THR 10 -2.427 -3.658 9.097 765 HA THR 10 HA THR 10 -5.187 -3.557 9.710 766 HB THR 10 HB THR 10 -3.461 -1.323 8.630 767 HG1 THR 10 1HG THR 10 -3.880 -2.369 11.219 768 HG21 THR 10 3HG2 THR 10 -5.084 0.126 9.753 769 HG22 THR 10 1HG2 THR 10 -5.973 -1.284 10.332 770 HG23 THR 10 2HG2 THR 10 -5.923 -0.921 8.604 771 H LEU 11 H LEU 11 -3.380 -2.974 6.675 772 HA LEU 11 HA LEU 11 -5.649 -2.198 5.160 773 HB2 LEU 11 2HB LEU 11 -3.228 -3.711 4.145 774 HB3 LEU 11 1HB LEU 11 -4.327 -2.729 3.185 775 HG LEU 11 HG LEU 11 -2.410 -1.759 5.318 776 HD11 LEU 11 1HD1 LEU 11 -1.431 -0.504 3.422 777 HD12 LEU 11 2HD1 LEU 11 -2.593 -1.270 2.338 778 HD13 LEU 11 3HD1 LEU 11 -1.377 -2.248 3.161 779 HD21 LEU 11 3HD2 LEU 11 -3.231 0.537 4.398 780 HD22 LEU 11 1HD2 LEU 11 -4.217 -0.283 5.604 781 HD23 LEU 11 2HD2 LEU 11 -4.665 -0.351 3.895 782 H ILE 12 H ILE 12 -4.145 -5.334 5.814 783 HA ILE 12 HA ILE 12 -5.891 -6.856 4.173 784 HB ILE 12 HB ILE 12 -4.396 -7.652 6.675 785 HG12 ILE 12 2HG1 ILE 12 -3.763 -8.165 3.757 786 HG13 ILE 12 1HG1 ILE 12 -3.065 -6.843 4.671 787 HG21 ILE 12 1HG2 ILE 12 -4.688 -9.963 5.436 788 HG22 ILE 12 2HG2 ILE 12 -6.099 -9.173 4.732 789 HG23 ILE 12 3HG2 ILE 12 -5.969 -9.349 6.481 790 HD11 ILE 12 3HD1 ILE 12 -1.714 -9.048 4.516 791 HD12 ILE 12 1HD1 ILE 12 -2.896 -9.686 5.660 792 HD13 ILE 12 2HD1 ILE 12 -1.888 -8.309 6.109 793 H ASN 13 H ASN 13 -6.084 -6.002 7.611 794 HA ASN 13 HA ASN 13 -8.410 -7.452 8.198 795 HB2 ASN 13 2HB ASN 13 -7.289 -4.946 9.444 796 HB3 ASN 13 1HB ASN 13 -8.607 -5.893 10.134 797 HD21 ASN 13 1HD2 ASN 13 -6.120 -5.575 11.525 798 HD22 ASN 13 2HD2 ASN 13 -5.346 -7.086 11.580 799 H VAL 14 H VAL 14 -8.073 -4.075 7.035 800 HA VAL 14 HA VAL 14 -10.897 -3.643 7.279 801 HB VAL 14 HB VAL 14 -10.592 -1.511 6.195 802 HG11 VAL 14 1HG1 VAL 14 -9.372 -0.533 7.896 803 HG12 VAL 14 2HG1 VAL 14 -8.096 -1.746 7.833 804 HG13 VAL 14 3HG1 VAL 14 -9.640 -2.130 8.592 805 HG21 VAL 14 3HG2 VAL 14 -7.886 -2.599 5.412 806 HG22 VAL 14 1HG2 VAL 14 -8.186 -0.875 5.512 807 HG23 VAL 14 2HG2 VAL 14 -9.106 -1.871 4.381 808 H PHE 15 H PHE 15 -8.781 -4.543 4.527 809 HA PHE 15 HA PHE 15 -10.825 -4.420 2.564 810 HB2 PHE 15 2HB PHE 15 -8.476 -4.698 1.935 811 HB3 PHE 15 1HB PHE 15 -8.447 -6.291 2.700 812 HD1 PHE 15 1HD PHE 15 -10.244 -4.307 0.078 813 HD2 PHE 15 2HD PHE 15 -9.146 -8.193 1.535 814 HE1 PHE 15 1HE PHE 15 -11.206 -5.351 -1.951 815 HE2 PHE 15 2HE PHE 15 -10.099 -9.230 -0.504 816 HZ PHE 15 HZ PHE 15 -11.130 -7.807 -2.250 817 H HIS 16 H HIS 16 -9.701 -7.037 4.650 818 HA HIS 16 HA HIS 16 -11.599 -8.947 3.784 819 HB2 HIS 16 2HB HIS 16 -9.537 -9.538 5.055 820 HB3 HIS 16 1HB HIS 16 -10.229 -8.757 6.477 821 HD1 HIS 16 1HD HIS 16 -11.303 -11.438 3.971 822 HD2 HIS 16 2HD HIS 16 -11.645 -10.540 8.027 823 HE1 HIS 16 1HE HIS 16 -12.569 -13.363 5.027 824 HE2 HIS 16 2HE HIS 16 -12.785 -12.830 7.500 825 H ALA 17 H ALA 17 -11.664 -6.411 6.203 826 HA ALA 17 HA ALA 17 -13.951 -7.233 7.568 827 HB1 ALA 17 1HB ALA 17 -14.220 -4.940 8.228 828 HB2 ALA 17 2HB ALA 17 -13.334 -4.355 6.810 829 HB3 ALA 17 3HB ALA 17 -12.485 -5.221 8.105 830 H HIS 18 H HIS 18 -13.667 -5.085 4.708 831 HA HIS 18 HA HIS 18 -16.573 -5.156 4.455 832 HB2 HIS 18 2HB HIS 18 -14.397 -3.816 2.905 833 HB3 HIS 18 1HB HIS 18 -16.055 -3.847 2.301 834 HD1 HIS 18 1HD HIS 18 -14.225 -2.978 5.543 835 HD2 HIS 18 2HD HIS 18 -17.671 -1.924 3.456 836 HE1 HIS 18 1HE HIS 18 -15.324 -1.122 6.870 837 HE2 HIS 18 2HE HIS 18 -17.428 -0.466 5.608 838 H SER 19 H SER 19 -13.953 -6.455 2.295 839 HA SER 19 HA SER 19 -15.760 -7.550 0.455 840 HB2 SER 19 2HB SER 19 -13.302 -7.435 0.066 841 HB3 SER 19 1HB SER 19 -13.093 -8.760 1.203 842 HG SER 19 HG SER 19 -13.300 -9.284 -1.156 843 H GLY 20 H GLY 20 -14.410 -8.831 3.464 844 HA2 GLY 20 2HA GLY 20 -15.670 -11.395 3.333 845 HA3 GLY 20 1HA GLY 20 -14.898 -10.701 4.727 846 H LYS 21 H LYS 21 -16.461 -8.377 5.038 847 HA LYS 21 HA LYS 21 -18.656 -9.383 6.490 848 HB2 LYS 21 2HB LYS 21 -17.719 -7.193 6.925 849 HB3 LYS 21 1HB LYS 21 -18.257 -6.608 5.351 850 HG2 LYS 21 2HG LYS 21 -20.604 -7.028 6.063 851 HG3 LYS 21 1HG LYS 21 -20.005 -7.564 7.636 852 HD2 LYS 21 2HD LYS 21 -20.613 -5.229 7.828 853 HD3 LYS 21 1HD LYS 21 -18.862 -5.340 7.886 854 HE2 LYS 21 2HE LYS 21 -20.028 -5.029 5.169 855 HE3 LYS 21 1HE LYS 21 -20.208 -3.637 6.241 856 HZ1 LYS 21 3HZ LYS 21 -18.025 -4.120 4.799 857 HZ2 LYS 21 1HZ LYS 21 -17.595 -4.891 6.247 858 HZ3 LYS 21 2HZ LYS 21 -18.014 -3.245 6.255 859 H GLU 22 H GLU 22 -18.583 -7.948 3.217 860 HA GLU 22 HA GLU 22 -21.218 -9.214 2.760 861 HB2 GLU 22 2HB GLU 22 -21.527 -6.799 3.267 862 HB3 GLU 22 1HB GLU 22 -20.503 -6.412 1.886 863 HG2 GLU 22 2HG GLU 22 -22.065 -7.668 0.411 864 HG3 GLU 22 1HG GLU 22 -23.112 -7.949 1.801 865 H GLY 23 H GLY 23 -21.507 -10.098 0.738 866 HA2 GLY 23 2HA GLY 23 -21.045 -10.658 -1.464 867 HA3 GLY 23 1HA GLY 23 -19.837 -9.378 -1.492 868 H ASP 24 H ASP 24 -18.587 -10.978 -2.743 869 HA ASP 24 HA ASP 24 -17.630 -13.370 -1.518 870 HB2 ASP 24 2HB ASP 24 -16.505 -11.706 -3.779 871 HB3 ASP 24 1HB ASP 24 -15.876 -13.277 -3.301 872 H LYS 25 H LYS 25 -15.787 -13.724 -0.347 873 HA LYS 25 HA LYS 25 -14.897 -11.681 1.322 874 HB2 LYS 25 2HB LYS 25 -13.496 -14.285 0.724 875 HB3 LYS 25 1HB LYS 25 -13.217 -13.241 2.127 876 HG2 LYS 25 2HG LYS 25 -15.672 -13.525 2.738 877 HG3 LYS 25 1HG LYS 25 -15.796 -14.741 1.473 878 HD2 LYS 25 2HD LYS 25 -13.836 -14.867 3.785 879 HD3 LYS 25 1HD LYS 25 -15.376 -15.720 3.732 880 HE2 LYS 25 2HE LYS 25 -14.391 -16.558 1.383 881 HE3 LYS 25 1HE LYS 25 -12.862 -16.250 2.212 882 HZ1 LYS 25 3HZ LYS 25 -13.779 -18.533 2.503 883 HZ2 LYS 25 1HZ LYS 25 -15.060 -17.855 3.384 884 HZ3 LYS 25 2HZ LYS 25 -13.467 -17.707 3.954 885 H TYR 26 H TYR 26 -13.588 -12.799 -1.719 886 HA TYR 26 HA TYR 26 -11.298 -10.968 -1.375 887 HB2 TYR 26 2HB TYR 26 -11.702 -13.257 -3.303 888 HB3 TYR 26 1HB TYR 26 -10.268 -12.232 -3.225 889 HD1 TYR 26 2HD TYR 26 -8.902 -12.162 -1.119 890 HD2 TYR 26 1HD TYR 26 -12.050 -15.020 -1.728 891 HE1 TYR 26 2HE TYR 26 -7.996 -13.550 0.725 892 HE2 TYR 26 1HE TYR 26 -11.145 -16.408 0.118 893 HH TYR 26 HH TYR 26 -9.511 -16.653 1.597 894 H LYS 27 H LYS 27 -14.195 -10.269 -2.352 895 HA LYS 27 HA LYS 27 -13.158 -8.737 -4.662 896 HB2 LYS 27 2HB LYS 27 -14.573 -10.855 -5.377 897 HB3 LYS 27 1HB LYS 27 -15.930 -9.850 -4.889 898 HG2 LYS 27 2HG LYS 27 -15.691 -9.358 -7.172 899 HG3 LYS 27 1HG LYS 27 -14.852 -8.031 -6.366 900 HD2 LYS 27 2HD LYS 27 -12.688 -9.009 -6.803 901 HD3 LYS 27 1HD LYS 27 -13.410 -10.535 -7.301 902 HE2 LYS 27 2HE LYS 27 -14.517 -9.234 -9.179 903 HE3 LYS 27 1HE LYS 27 -13.461 -7.885 -8.742 904 HZ1 LYS 27 3HZ LYS 27 -11.682 -9.818 -8.862 905 HZ2 LYS 27 1HZ LYS 27 -12.122 -8.909 -10.225 906 HZ3 LYS 27 2HZ LYS 27 -12.805 -10.445 -9.972 907 H LEU 28 H LEU 28 -13.883 -6.660 -4.741 908 HA LEU 28 HA LEU 28 -15.779 -5.916 -2.594 909 HB2 LEU 28 2HB LEU 28 -13.259 -5.197 -2.685 910 HB3 LEU 28 1HB LEU 28 -13.802 -4.084 -3.906 911 HG LEU 28 HG LEU 28 -15.385 -3.048 -2.336 912 HD11 LEU 28 1HD1 LEU 28 -14.776 -3.673 0.192 913 HD12 LEU 28 2HD1 LEU 28 -14.422 -5.244 -0.513 914 HD13 LEU 28 3HD1 LEU 28 -16.033 -4.545 -0.669 915 HD21 LEU 28 3HD2 LEU 28 -12.964 -2.284 -2.551 916 HD22 LEU 28 1HD2 LEU 28 -12.602 -3.250 -1.122 917 HD23 LEU 28 2HD2 LEU 28 -13.703 -1.888 -0.994 918 H SER 29 H SER 29 -17.700 -5.093 -3.256 919 HA SER 29 HA SER 29 -18.030 -4.381 -6.087 920 HB2 SER 29 2HB SER 29 -20.401 -4.682 -5.729 921 HB3 SER 29 1HB SER 29 -19.545 -6.079 -5.080 922 HG SER 29 HG SER 29 -20.182 -3.831 -3.497 923 H LYS 30 H LYS 30 -19.617 -2.552 -6.536 924 HA LYS 30 HA LYS 30 -18.586 -0.116 -5.747 925 HB2 LYS 30 2HB LYS 30 -20.154 -0.476 -7.630 926 HB3 LYS 30 1HB LYS 30 -21.456 -0.681 -6.461 927 HG2 LYS 30 2HG LYS 30 -20.942 1.632 -5.581 928 HG3 LYS 30 1HG LYS 30 -19.783 1.808 -6.897 929 HD2 LYS 30 2HD LYS 30 -21.885 2.790 -7.592 930 HD3 LYS 30 1HD LYS 30 -21.633 1.309 -8.517 931 HE2 LYS 30 2HE LYS 30 -23.333 0.187 -7.430 932 HE3 LYS 30 1HE LYS 30 -23.101 1.068 -5.914 933 HZ1 LYS 30 3HZ LYS 30 -24.800 1.676 -8.156 934 HZ2 LYS 30 1HZ LYS 30 -23.866 3.000 -7.656 935 HZ3 LYS 30 2HZ LYS 30 -24.887 2.216 -6.548 936 H LYS 31 H LYS 31 -21.519 -1.681 -4.506 937 HA LYS 31 HA LYS 31 -22.184 0.340 -2.693 938 HB2 LYS 31 2HB LYS 31 -23.658 -1.313 -1.697 939 HB3 LYS 31 1HB LYS 31 -23.680 -1.501 -3.454 940 HG2 LYS 31 2HG LYS 31 -21.911 -3.275 -3.208 941 HG3 LYS 31 1HG LYS 31 -22.130 -3.147 -1.464 942 HD2 LYS 31 2HD LYS 31 -24.491 -3.616 -1.752 943 HD3 LYS 31 1HD LYS 31 -24.229 -3.947 -3.457 944 HE2 LYS 31 2HE LYS 31 -22.656 -5.357 -1.297 945 HE3 LYS 31 1HE LYS 31 -24.223 -5.965 -1.831 946 HZ1 LYS 31 3HZ LYS 31 -23.434 -6.460 -3.899 947 HZ2 LYS 31 1HZ LYS 31 -22.035 -6.743 -2.983 948 HZ3 LYS 31 2HZ LYS 31 -22.204 -5.290 -3.848 949 H GLU 32 H GLU 32 -20.408 -2.708 -2.230 950 HA GLU 32 HA GLU 32 -19.902 -2.389 0.521 951 HB2 GLU 32 2HB GLU 32 -18.205 -3.796 -1.559 952 HB3 GLU 32 1HB GLU 32 -18.048 -3.993 0.185 953 HG2 GLU 32 2HG GLU 32 -20.398 -4.790 0.284 954 HG3 GLU 32 1HG GLU 32 -20.487 -4.669 -1.463 955 H LEU 33 H LEU 33 -17.714 -1.519 -2.262 956 HA LEU 33 HA LEU 33 -15.714 -0.523 -0.538 957 HB2 LEU 33 2HB LEU 33 -14.859 0.806 -2.473 958 HB3 LEU 33 1HB LEU 33 -15.003 -0.907 -2.744 959 HG LEU 33 HG LEU 33 -17.454 -0.071 -3.629 960 HD11 LEU 33 1HD1 LEU 33 -17.167 1.913 -4.992 961 HD12 LEU 33 2HD1 LEU 33 -15.458 2.014 -4.594 962 HD13 LEU 33 3HD1 LEU 33 -16.677 2.336 -3.356 963 HD21 LEU 33 3HD2 LEU 33 -14.804 -0.647 -4.946 964 HD22 LEU 33 1HD2 LEU 33 -16.146 -0.121 -5.955 965 HD23 LEU 33 2HD2 LEU 33 -16.287 -1.591 -4.984 966 H LYS 34 H LYS 34 -18.581 0.988 -1.916 967 HA LYS 34 HA LYS 34 -17.920 3.608 -1.188 968 HB2 LYS 34 2HB LYS 34 -19.962 2.974 -2.489 969 HB3 LYS 34 1HB LYS 34 -20.656 2.312 -1.011 970 HG2 LYS 34 2HG LYS 34 -21.560 4.499 -1.155 971 HG3 LYS 34 1HG LYS 34 -20.250 4.646 0.013 972 HD2 LYS 34 2HD LYS 34 -18.767 5.564 -1.686 973 HD3 LYS 34 1HD LYS 34 -19.964 5.263 -2.938 974 HE2 LYS 34 2HE LYS 34 -20.468 7.470 -2.546 975 HE3 LYS 34 1HE LYS 34 -21.444 6.779 -1.248 976 HZ1 LYS 34 3HZ LYS 34 -20.158 8.405 -0.222 977 HZ2 LYS 34 1HZ LYS 34 -18.757 7.994 -1.084 978 HZ3 LYS 34 2HZ LYS 34 -19.335 6.961 0.134 979 H GLU 35 H GLU 35 -19.094 0.834 0.692 980 HA GLU 35 HA GLU 35 -19.504 2.384 3.082 981 HB2 GLU 35 2HB GLU 35 -19.289 -0.587 2.610 982 HB3 GLU 35 1HB GLU 35 -19.678 0.141 4.167 983 HG2 GLU 35 2HG GLU 35 -21.619 1.283 3.118 984 HG3 GLU 35 1HG GLU 35 -21.246 0.478 1.594 985 H LEU 36 H LEU 36 -16.830 0.346 1.861 986 HA LEU 36 HA LEU 36 -15.367 0.349 4.287 987 HB2 LEU 36 2HB LEU 36 -15.040 -1.109 2.173 988 HB3 LEU 36 1HB LEU 36 -14.069 0.229 1.572 989 HG LEU 36 HG LEU 36 -13.569 -1.256 4.192 990 HD11 LEU 36 1HD1 LEU 36 -12.116 -2.619 3.116 991 HD12 LEU 36 2HD1 LEU 36 -11.597 -1.373 1.989 992 HD13 LEU 36 3HD1 LEU 36 -13.095 -2.245 1.697 993 HD21 LEU 36 3HD2 LEU 36 -12.595 0.799 4.579 994 HD22 LEU 36 1HD2 LEU 36 -12.293 1.116 2.876 995 HD23 LEU 36 2HD2 LEU 36 -11.273 -0.011 3.758 996 H LEU 37 H LEU 37 -15.117 2.536 1.412 997 HA LEU 37 HA LEU 37 -12.956 4.008 2.531 998 HB2 LEU 37 2HB LEU 37 -14.987 4.757 0.428 999 HB3 LEU 37 1HB LEU 37 -13.730 5.868 0.957 1000 HG LEU 37 HG LEU 37 -13.261 4.403 -1.133 1001 HD11 LEU 37 1HD1 LEU 37 -11.565 5.720 0.249 1002 HD12 LEU 37 2HD1 LEU 37 -10.913 4.348 -0.647 1003 HD13 LEU 37 3HD1 LEU 37 -11.208 4.209 1.085 1004 HD21 LEU 37 3HD2 LEU 37 -12.605 2.370 0.993 1005 HD22 LEU 37 1HD2 LEU 37 -12.484 2.174 -0.750 1006 HD23 LEU 37 2HD2 LEU 37 -14.060 2.309 0.015 1007 H GLN 38 H GLN 38 -16.482 4.507 2.680 1008 HA GLN 38 HA GLN 38 -16.354 6.955 4.091 1009 HB2 GLN 38 2HB GLN 38 -18.509 4.840 4.012 1010 HB3 GLN 38 1HB GLN 38 -18.699 6.416 4.781 1011 HG2 GLN 38 2HG GLN 38 -18.247 7.539 2.649 1012 HG3 GLN 38 1HG GLN 38 -17.986 5.985 1.860 1013 HE21 GLN 38 1HE2 GLN 38 -20.070 7.887 1.096 1014 HE22 GLN 38 2HE2 GLN 38 -21.562 7.127 1.374 1015 H THR 39 H THR 39 -16.418 3.594 5.204 1016 HA THR 39 HA THR 39 -16.648 4.274 7.971 1017 HB THR 39 HB THR 39 -16.118 1.925 8.387 1018 HG1 THR 39 1HG THR 39 -15.643 1.805 5.598 1019 HG21 THR 39 3HG2 THR 39 -18.339 1.846 7.896 1020 HG22 THR 39 1HG2 THR 39 -17.803 1.070 6.407 1021 HG23 THR 39 2HG2 THR 39 -18.152 2.798 6.425 1022 H GLU 40 H GLU 40 -13.936 3.774 5.781 1023 HA GLU 40 HA GLU 40 -12.074 4.060 8.038 1024 HB2 GLU 40 2HB GLU 40 -11.703 3.119 5.204 1025 HB3 GLU 40 1HB GLU 40 -10.373 3.405 6.307 1026 HG2 GLU 40 2HG GLU 40 -12.672 1.514 6.846 1027 HG3 GLU 40 1HG GLU 40 -11.070 1.025 6.300 1028 H LEU 41 H LEU 41 -12.234 5.346 4.671 1029 HA LEU 41 HA LEU 41 -10.695 7.666 5.629 1030 HB2 LEU 41 2HB LEU 41 -11.372 6.895 2.788 1031 HB3 LEU 41 1HB LEU 41 -10.266 8.162 3.292 1032 HG LEU 41 HG LEU 41 -9.918 5.181 3.740 1033 HD11 LEU 41 1HD1 LEU 41 -8.245 5.295 2.094 1034 HD12 LEU 41 2HD1 LEU 41 -8.079 7.044 2.254 1035 HD13 LEU 41 3HD1 LEU 41 -9.491 6.364 1.450 1036 HD21 LEU 41 3HD2 LEU 41 -8.400 7.577 4.783 1037 HD22 LEU 41 1HD2 LEU 41 -7.554 6.066 4.463 1038 HD23 LEU 41 2HD2 LEU 41 -8.862 6.100 5.639 1039 H SER 42 H SER 42 -11.382 9.741 5.530 1040 HA SER 42 HA SER 42 -14.243 10.102 4.830 1041 HB2 SER 42 2HB SER 42 -12.548 11.114 7.032 1042 HB3 SER 42 1HB SER 42 -13.667 12.284 6.338 1043 HG SER 42 HG SER 42 -15.047 10.107 6.537 1044 H GLY 43 H GLY 43 -11.282 12.078 5.032 1045 HA2 GLY 43 2HA GLY 43 -12.132 14.138 3.369 1046 HA3 GLY 43 1HA GLY 43 -10.457 13.747 3.707 1047 H PHE 44 H PHE 44 -10.386 11.151 2.402 1048 HA PHE 44 HA PHE 44 -9.784 12.019 -0.202 1049 HB2 PHE 44 2HB PHE 44 -10.209 9.257 0.924 1050 HB3 PHE 44 1HB PHE 44 -9.677 9.549 -0.733 1051 HD1 PHE 44 1HD PHE 44 -7.504 10.580 -1.202 1052 HD2 PHE 44 2HD PHE 44 -8.744 9.750 2.824 1053 HE1 PHE 44 1HE PHE 44 -5.176 10.907 -0.417 1054 HE2 PHE 44 2HE PHE 44 -6.416 10.069 3.608 1055 HZ PHE 44 HZ PHE 44 -4.633 10.648 1.988 1056 H LEU 45 H LEU 45 -12.576 10.024 0.854 1057 HA LEU 45 HA LEU 45 -13.768 10.161 -1.762 1058 HB2 LEU 45 2HB LEU 45 -14.456 8.904 0.824 1059 HB3 LEU 45 1HB LEU 45 -15.846 9.417 -0.129 1060 HG LEU 45 HG LEU 45 -15.033 7.054 -0.604 1061 HD11 LEU 45 1HD1 LEU 45 -15.796 9.207 -2.398 1062 HD12 LEU 45 2HD1 LEU 45 -16.217 7.493 -2.470 1063 HD13 LEU 45 3HD1 LEU 45 -14.743 8.064 -3.246 1064 HD21 LEU 45 3HD2 LEU 45 -12.519 8.203 -0.647 1065 HD22 LEU 45 1HD2 LEU 45 -12.881 8.062 -2.371 1066 HD23 LEU 45 2HD2 LEU 45 -12.920 6.637 -1.342 1067 H ASP 46 H ASP 46 -14.204 11.891 1.243 1068 HA ASP 46 HA ASP 46 -16.509 13.289 0.530 1069 HB2 ASP 46 2HB ASP 46 -15.546 13.177 2.833 1070 HB3 ASP 46 1HB ASP 46 -14.282 14.292 2.319 1071 H ALA 47 H ALA 47 -13.164 13.815 -0.297 1072 HA ALA 47 HA ALA 47 -13.191 16.493 -1.014 1073 HB1 ALA 47 1HB ALA 47 -11.297 15.927 -2.502 1074 HB2 ALA 47 2HB ALA 47 -11.659 14.214 -2.278 1075 HB3 ALA 47 3HB ALA 47 -11.140 15.193 -0.906 1076 H GLN 48 H GLN 48 -14.504 13.737 -2.809 1077 HA GLN 48 HA GLN 48 -14.864 15.433 -5.177 1078 HB2 GLN 48 2HB GLN 48 -15.763 12.587 -4.707 1079 HB3 GLN 48 1HB GLN 48 -15.682 13.434 -6.255 1080 HG2 GLN 48 2HG GLN 48 -13.345 12.720 -4.464 1081 HG3 GLN 48 1HG GLN 48 -13.725 12.009 -6.032 1082 HE21 GLN 48 1HE2 GLN 48 -11.628 14.139 -4.683 1083 HE22 GLN 48 2HE2 GLN 48 -11.393 15.195 -5.994 1084 H LYS 49 H LYS 49 -16.558 16.716 -5.304 1085 HA LYS 49 HA LYS 49 -18.725 16.700 -3.521 1086 HB2 LYS 49 2HB LYS 49 -18.398 18.047 -6.201 1087 HB3 LYS 49 1HB LYS 49 -19.714 18.380 -5.074 1088 HG2 LYS 49 2HG LYS 49 -18.021 18.966 -3.334 1089 HG3 LYS 49 1HG LYS 49 -16.753 18.745 -4.539 1090 HD2 LYS 49 2HD LYS 49 -17.861 20.478 -5.960 1091 HD3 LYS 49 1HD LYS 49 -19.020 20.754 -4.659 1092 HE2 LYS 49 2HE LYS 49 -17.046 21.226 -3.139 1093 HE3 LYS 49 1HE LYS 49 -16.027 21.202 -4.579 1094 HZ1 LYS 49 3HZ LYS 49 -17.232 23.390 -3.655 1095 HZ2 LYS 49 1HZ LYS 49 -18.410 22.847 -4.749 1096 HZ3 LYS 49 2HZ LYS 49 -16.830 23.159 -5.290 1097 H ASP 50 H ASP 50 -18.454 15.308 -6.765 1098 HA ASP 50 HA ASP 50 -21.239 14.873 -7.079 1099 HB2 ASP 50 2HB ASP 50 -18.885 13.550 -8.419 1100 HB3 ASP 50 1HB ASP 50 -20.573 13.298 -8.876 1101 H VAL 51 H VAL 51 -22.521 13.130 -6.761 1102 HA VAL 51 HA VAL 51 -21.786 11.280 -4.683 1103 HB VAL 51 HB VAL 51 -24.021 10.468 -4.826 1104 HG11 VAL 51 1HG1 VAL 51 -25.137 12.388 -4.254 1105 HG12 VAL 51 2HG1 VAL 51 -24.583 13.269 -5.676 1106 HG13 VAL 51 3HG1 VAL 51 -23.504 13.053 -4.297 1107 HG21 VAL 51 3HG2 VAL 51 -25.506 11.174 -6.762 1108 HG22 VAL 51 1HG2 VAL 51 -24.233 10.030 -7.180 1109 HG23 VAL 51 2HG2 VAL 51 -24.051 11.736 -7.582 1110 H ASP 52 H ASP 52 -21.857 11.337 -8.133 1111 HA ASP 52 HA ASP 52 -21.651 8.479 -8.508 1112 HB2 ASP 52 2HB ASP 52 -21.270 10.822 -10.388 1113 HB3 ASP 52 1HB ASP 52 -21.178 9.133 -10.884 1114 H ALA 53 H ALA 53 -19.631 10.672 -7.233 1115 HA ALA 53 HA ALA 53 -17.188 10.392 -8.549 1116 HB1 ALA 53 1HB ALA 53 -16.174 11.003 -6.424 1117 HB2 ALA 53 2HB ALA 53 -17.671 10.621 -5.570 1118 HB3 ALA 53 3HB ALA 53 -17.620 11.980 -6.697 1119 H VAL 54 H VAL 54 -18.813 8.280 -6.206 1120 HA VAL 54 HA VAL 54 -16.664 6.518 -5.719 1121 HB VAL 54 HB VAL 54 -18.878 6.531 -4.499 1122 HG11 VAL 54 1HG1 VAL 54 -20.791 5.518 -5.482 1123 HG12 VAL 54 2HG1 VAL 54 -19.849 4.847 -6.813 1124 HG13 VAL 54 3HG1 VAL 54 -20.164 6.579 -6.743 1125 HG21 VAL 54 3HG2 VAL 54 -19.035 3.920 -4.593 1126 HG22 VAL 54 1HG2 VAL 54 -17.543 4.659 -4.012 1127 HG23 VAL 54 2HG2 VAL 54 -17.643 4.044 -5.663 1128 H ASP 55 H ASP 55 -19.192 6.535 -8.210 1129 HA ASP 55 HA ASP 55 -18.445 4.133 -9.482 1130 HB2 ASP 55 2HB ASP 55 -19.766 6.632 -10.527 1131 HB3 ASP 55 1HB ASP 55 -19.609 5.151 -11.469 1132 H LYS 56 H LYS 56 -17.469 7.500 -9.923 1133 HA LYS 56 HA LYS 56 -15.796 7.109 -12.158 1134 HB2 LYS 56 2HB LYS 56 -15.637 9.142 -9.919 1135 HB3 LYS 56 1HB LYS 56 -14.712 9.228 -11.419 1136 HG2 LYS 56 2HG LYS 56 -16.856 9.198 -12.699 1137 HG3 LYS 56 1HG LYS 56 -17.735 9.236 -11.171 1138 HD2 LYS 56 2HD LYS 56 -16.568 11.367 -10.597 1139 HD3 LYS 56 1HD LYS 56 -15.817 11.348 -12.194 1140 HE2 LYS 56 2HE LYS 56 -18.806 11.358 -11.681 1141 HE3 LYS 56 1HE LYS 56 -17.855 12.769 -12.144 1142 HZ1 LYS 56 3HZ LYS 56 -17.794 12.114 -14.256 1143 HZ2 LYS 56 1HZ LYS 56 -19.038 11.033 -13.857 1144 HZ3 LYS 56 2HZ LYS 56 -17.424 10.506 -13.853 1145 H VAL 57 H VAL 57 -15.238 6.821 -8.684 1146 HA VAL 57 HA VAL 57 -12.435 6.466 -8.807 1147 HB VAL 57 HB VAL 57 -14.476 5.554 -6.770 1148 HG11 VAL 57 1HG1 VAL 57 -11.480 5.313 -6.882 1149 HG12 VAL 57 2HG1 VAL 57 -12.670 4.124 -6.350 1150 HG13 VAL 57 3HG1 VAL 57 -12.292 5.511 -5.329 1151 HG21 VAL 57 3HG2 VAL 57 -13.971 7.524 -5.605 1152 HG22 VAL 57 1HG2 VAL 57 -13.914 8.073 -7.282 1153 HG23 VAL 57 2HG2 VAL 57 -12.418 7.719 -6.419 1154 H MET 58 H MET 58 -15.120 4.113 -8.777 1155 HA MET 58 HA MET 58 -13.367 1.876 -8.800 1156 HB2 MET 58 2HB MET 58 -15.209 0.520 -8.740 1157 HB3 MET 58 1HB MET 58 -15.831 2.000 -8.032 1158 HG2 MET 58 2HG MET 58 -17.494 1.893 -9.561 1159 HG3 MET 58 1HG MET 58 -16.306 2.304 -10.785 1160 HE1 MET 58 3HE MET 58 -18.529 -1.175 -9.590 1161 HE2 MET 58 1HE MET 58 -17.576 -0.161 -8.499 1162 HE3 MET 58 2HE MET 58 -16.947 -1.717 -9.037 1163 H LYS 59 H LYS 59 -14.788 3.694 -11.496 1164 HA LYS 59 HA LYS 59 -14.493 1.738 -13.480 1165 HB2 LYS 59 2HB LYS 59 -14.223 4.712 -13.739 1166 HB3 LYS 59 1HB LYS 59 -14.353 3.573 -15.081 1167 HG2 LYS 59 2HG LYS 59 -16.467 2.812 -13.415 1168 HG3 LYS 59 1HG LYS 59 -16.445 4.567 -13.262 1169 HD2 LYS 59 2HD LYS 59 -16.391 3.088 -15.867 1170 HD3 LYS 59 1HD LYS 59 -17.865 3.741 -15.144 1171 HE2 LYS 59 2HE LYS 59 -15.425 5.354 -15.972 1172 HE3 LYS 59 1HE LYS 59 -16.984 5.338 -16.794 1173 HZ1 LYS 59 3HZ LYS 59 -17.368 5.871 -14.058 1174 HZ2 LYS 59 1HZ LYS 59 -17.735 6.852 -15.391 1175 HZ3 LYS 59 2HZ LYS 59 -16.201 6.942 -14.668 1176 H GLU 60 H GLU 60 -12.042 4.066 -12.284 1177 HA GLU 60 HA GLU 60 -10.117 3.235 -14.243 1178 HB2 GLU 60 2HB GLU 60 -8.571 4.641 -13.125 1179 HB3 GLU 60 1HB GLU 60 -10.128 5.452 -12.977 1180 HG2 GLU 60 2HG GLU 60 -10.393 4.406 -10.720 1181 HG3 GLU 60 1HG GLU 60 -8.762 3.760 -10.864 1182 H LEU 61 H LEU 61 -10.918 2.283 -10.967 1183 HA LEU 61 HA LEU 61 -8.640 0.659 -10.503 1184 HB2 LEU 61 2HB LEU 61 -11.399 0.477 -9.290 1185 HB3 LEU 61 1HB LEU 61 -9.967 -0.341 -8.680 1186 HG LEU 61 HG LEU 61 -10.298 2.663 -8.896 1187 HD11 LEU 61 1HD1 LEU 61 -11.542 1.091 -7.080 1188 HD12 LEU 61 2HD1 LEU 61 -10.918 2.684 -6.676 1189 HD13 LEU 61 3HD1 LEU 61 -9.975 1.247 -6.287 1190 HD21 LEU 61 3HD2 LEU 61 -8.027 0.854 -8.134 1191 HD22 LEU 61 1HD2 LEU 61 -8.223 2.363 -7.263 1192 HD23 LEU 61 2HD2 LEU 61 -7.985 2.399 -8.995 1193 H ASP 62 H ASP 62 -11.775 -0.046 -11.990 1194 HA ASP 62 HA ASP 62 -11.313 -2.862 -11.871 1195 HB2 ASP 62 2HB ASP 62 -13.573 -1.861 -12.133 1196 HB3 ASP 62 1HB ASP 62 -13.132 -1.397 -13.779 1197 H GLU 63 H GLU 63 -9.302 -3.265 -12.663 1198 HA GLU 63 HA GLU 63 -8.311 -2.484 -15.216 1199 HB2 GLU 63 2HB GLU 63 -6.852 -3.299 -13.462 1200 HB3 GLU 63 1HB GLU 63 -7.739 -4.825 -13.387 1201 HG2 GLU 63 2HG GLU 63 -7.099 -5.340 -15.680 1202 HG3 GLU 63 1HG GLU 63 -6.179 -3.819 -15.788 1203 H ASN 64 H ASN 64 -9.797 -5.331 -13.976 1204 HA ASN 64 HA ASN 64 -9.788 -7.013 -16.170 1205 HB2 ASN 64 2HB ASN 64 -11.648 -6.659 -13.881 1206 HB3 ASN 64 1HB ASN 64 -11.591 -8.122 -14.861 1207 HD21 ASN 64 1HD2 ASN 64 -8.883 -8.622 -15.079 1208 HD22 ASN 64 2HD2 ASN 64 -8.170 -8.765 -13.546 1209 H GLY 65 H GLY 65 -12.107 -4.510 -15.237 1210 HA2 GLY 65 2HA GLY 65 -13.660 -3.435 -16.667 1211 HA3 GLY 65 1HA GLY 65 -13.419 -4.720 -17.858 1212 H ASP 66 H ASP 66 -13.561 -6.095 -14.921 1213 HA ASP 66 HA ASP 66 -15.928 -7.527 -15.274 1214 HB2 ASP 66 2HB ASP 66 -15.445 -8.358 -13.003 1215 HB3 ASP 66 1HB ASP 66 -13.994 -8.325 -14.002 1216 H GLY 67 H GLY 67 -15.325 -4.536 -13.541 1217 HA2 GLY 67 2HA GLY 67 -17.062 -2.952 -13.076 1218 HA3 GLY 67 1HA GLY 67 -18.216 -4.288 -13.017 1219 H GLU 68 H GLU 68 -15.647 -5.504 -11.592 1220 HA GLU 68 HA GLU 68 -16.407 -4.661 -8.868 1221 HB2 GLU 68 2HB GLU 68 -15.293 -7.271 -9.872 1222 HB3 GLU 68 1HB GLU 68 -15.414 -6.857 -8.171 1223 HG2 GLU 68 2HG GLU 68 -17.340 -8.108 -8.541 1224 HG3 GLU 68 1HG GLU 68 -17.921 -6.445 -8.689 1225 H VAL 69 H VAL 69 -14.764 -4.518 -7.315 1226 HA VAL 69 HA VAL 69 -12.102 -3.883 -8.422 1227 HB VAL 69 HB VAL 69 -13.361 -3.048 -5.798 1228 HG11 VAL 69 1HG1 VAL 69 -10.866 -2.059 -7.187 1229 HG12 VAL 69 2HG1 VAL 69 -10.889 -3.135 -5.785 1230 HG13 VAL 69 3HG1 VAL 69 -11.494 -1.486 -5.643 1231 HG21 VAL 69 3HG2 VAL 69 -14.534 -2.031 -7.676 1232 HG22 VAL 69 1HG2 VAL 69 -13.000 -1.512 -8.377 1233 HG23 VAL 69 2HG2 VAL 69 -13.554 -0.819 -6.852 1234 H ASP 70 H ASP 70 -10.408 -5.203 -7.800 1235 HA ASP 70 HA ASP 70 -11.089 -7.292 -5.820 1236 HB2 ASP 70 2HB ASP 70 -9.372 -8.652 -6.765 1237 HB3 ASP 70 1HB ASP 70 -10.309 -7.991 -8.100 1238 H PHE 71 H PHE 71 -9.154 -8.096 -4.551 1239 HA PHE 71 HA PHE 71 -8.410 -6.224 -2.644 1240 HB2 PHE 71 2HB PHE 71 -8.320 -8.814 -2.688 1241 HB3 PHE 71 1HB PHE 71 -6.735 -8.613 -3.411 1242 HD1 PHE 71 1HD PHE 71 -6.518 -5.875 -1.447 1243 HD2 PHE 71 2HD PHE 71 -7.065 -10.105 -0.971 1244 HE1 PHE 71 1HE PHE 71 -5.518 -5.750 0.815 1245 HE2 PHE 71 2HE PHE 71 -6.081 -9.966 1.285 1246 HZ PHE 71 HZ PHE 71 -5.312 -7.795 2.177 1247 H GLN 72 H GLN 72 -6.542 -7.374 -5.480 1248 HA GLN 72 HA GLN 72 -4.190 -5.891 -4.934 1249 HB2 GLN 72 2HB GLN 72 -5.325 -6.889 -7.558 1250 HB3 GLN 72 1HB GLN 72 -3.700 -6.230 -7.360 1251 HG2 GLN 72 2HG GLN 72 -3.183 -7.968 -5.707 1252 HG3 GLN 72 1HG GLN 72 -4.800 -8.622 -5.847 1253 HE21 GLN 72 1HE2 GLN 72 -2.602 -10.267 -6.375 1254 HE22 GLN 72 2HE2 GLN 72 -2.545 -10.607 -8.032 1255 H GLU 73 H GLU 73 -7.095 -5.019 -6.830 1256 HA GLU 73 HA GLU 73 -6.102 -2.563 -7.828 1257 HB2 GLU 73 2HB GLU 73 -8.918 -3.501 -7.268 1258 HB3 GLU 73 1HB GLU 73 -8.534 -2.024 -8.142 1259 HG2 GLU 73 2HG GLU 73 -7.312 -3.378 -9.835 1260 HG3 GLU 73 1HG GLU 73 -7.761 -4.842 -8.976 1261 H TYR 74 H TYR 74 -7.909 -3.479 -4.954 1262 HA TYR 74 HA TYR 74 -8.337 -0.914 -3.835 1263 HB2 TYR 74 2HB TYR 74 -9.505 -3.005 -3.158 1264 HB3 TYR 74 1HB TYR 74 -8.003 -3.585 -2.443 1265 HD1 TYR 74 2HD TYR 74 -7.085 -2.553 -0.420 1266 HD2 TYR 74 1HD TYR 74 -10.763 -1.190 -2.165 1267 HE1 TYR 74 2HE TYR 74 -7.607 -1.300 1.656 1268 HE2 TYR 74 1HE TYR 74 -11.286 0.051 -0.087 1269 HH TYR 74 HH TYR 74 -9.868 -0.483 2.776 1270 H VAL 75 H VAL 75 -5.830 -3.308 -3.540 1271 HA VAL 75 HA VAL 75 -4.308 -2.115 -1.505 1272 HB VAL 75 HB VAL 75 -4.106 -4.486 -3.065 1273 HG11 VAL 75 1HG1 VAL 75 -2.577 -3.525 -4.641 1274 HG12 VAL 75 2HG1 VAL 75 -1.662 -4.560 -3.551 1275 HG13 VAL 75 3HG1 VAL 75 -1.613 -2.821 -3.355 1276 HG21 VAL 75 3HG2 VAL 75 -3.772 -4.546 -0.717 1277 HG22 VAL 75 1HG2 VAL 75 -2.451 -3.374 -0.799 1278 HG23 VAL 75 2HG2 VAL 75 -2.229 -5.001 -1.442 1279 H VAL 76 H VAL 76 -3.992 -1.833 -5.071 1280 HA VAL 76 HA VAL 76 -1.826 0.017 -4.779 1281 HB VAL 76 HB VAL 76 -2.049 0.511 -7.124 1282 HG11 VAL 76 1HG1 VAL 76 -2.769 -2.405 -6.913 1283 HG12 VAL 76 2HG1 VAL 76 -1.254 -1.809 -6.238 1284 HG13 VAL 76 3HG1 VAL 76 -1.582 -1.632 -7.963 1285 HG21 VAL 76 3HG2 VAL 76 -4.558 0.691 -7.123 1286 HG22 VAL 76 1HG2 VAL 76 -4.622 -1.064 -7.078 1287 HG23 VAL 76 2HG2 VAL 76 -3.915 -0.253 -8.465 1288 H LEU 77 H LEU 77 -5.373 0.355 -4.867 1289 HA LEU 77 HA LEU 77 -5.448 3.146 -5.220 1290 HB2 LEU 77 2HB LEU 77 -7.489 1.803 -5.205 1291 HB3 LEU 77 1HB LEU 77 -7.230 1.379 -3.524 1292 HG LEU 77 HG LEU 77 -7.384 3.894 -3.007 1293 HD11 LEU 77 1HD1 LEU 77 -7.200 4.466 -5.576 1294 HD12 LEU 77 2HD1 LEU 77 -8.269 5.401 -4.541 1295 HD13 LEU 77 3HD1 LEU 77 -8.927 4.140 -5.562 1296 HD21 LEU 77 3HD2 LEU 77 -9.802 3.808 -2.917 1297 HD22 LEU 77 1HD2 LEU 77 -9.158 2.202 -2.576 1298 HD23 LEU 77 2HD2 LEU 77 -9.838 2.560 -4.164 1299 H VAL 78 H VAL 78 -5.270 1.316 -2.117 1300 HA VAL 78 HA VAL 78 -5.066 3.742 -0.620 1301 HB VAL 78 HB VAL 78 -4.380 2.402 1.307 1302 HG11 VAL 78 1HG1 VAL 78 -6.666 2.479 1.175 1303 HG12 VAL 78 2HG1 VAL 78 -6.405 0.736 1.126 1304 HG13 VAL 78 3HG1 VAL 78 -6.725 1.622 -0.367 1305 HG21 VAL 78 3HG2 VAL 78 -2.981 0.731 0.062 1306 HG22 VAL 78 1HG2 VAL 78 -4.466 -0.013 -0.533 1307 HG23 VAL 78 2HG2 VAL 78 -4.114 0.001 1.189 1308 H ALA 79 H ALA 79 -2.624 1.578 -2.019 1309 HA ALA 79 HA ALA 79 -0.434 2.819 -0.636 1310 HB1 ALA 79 1HB ALA 79 0.902 1.393 -1.797 1311 HB2 ALA 79 2HB ALA 79 0.037 1.630 -3.320 1312 HB3 ALA 79 3HB ALA 79 -0.628 0.581 -2.078 1313 H ALA 80 H ALA 80 -1.707 3.273 -3.927 1314 HA ALA 80 HA ALA 80 0.102 5.307 -4.673 1315 HB1 ALA 80 1HB ALA 80 -1.129 4.181 -6.389 1316 HB2 ALA 80 2HB ALA 80 -1.675 5.862 -6.390 1317 HB3 ALA 80 3HB ALA 80 -2.674 4.610 -5.650 1318 H LEU 81 H LEU 81 -3.067 5.322 -3.057 1319 HA LEU 81 HA LEU 81 -3.249 8.169 -3.013 1320 HB2 LEU 81 2HB LEU 81 -4.684 5.972 -1.602 1321 HB3 LEU 81 1HB LEU 81 -4.753 7.587 -0.900 1322 HG LEU 81 HG LEU 81 -5.503 8.476 -3.131 1323 HD11 LEU 81 1HD1 LEU 81 -4.558 6.368 -4.355 1324 HD12 LEU 81 2HD1 LEU 81 -6.031 7.119 -4.946 1325 HD13 LEU 81 3HD1 LEU 81 -6.120 5.666 -3.963 1326 HD21 LEU 81 3HD2 LEU 81 -7.227 8.063 -1.505 1327 HD22 LEU 81 1HD2 LEU 81 -7.197 6.326 -1.822 1328 HD23 LEU 81 2HD2 LEU 81 -7.809 7.437 -3.044 1329 H THR 82 H THR 82 -1.674 5.778 -0.932 1330 HA THR 82 HA THR 82 -1.146 7.512 1.247 1331 HB THR 82 HB THR 82 0.586 5.248 0.229 1332 HG1 THR 82 1HG THR 82 -0.756 3.917 1.246 1333 HG21 THR 82 3HG2 THR 82 1.607 5.238 2.295 1334 HG22 THR 82 1HG2 THR 82 0.203 5.922 3.111 1335 HG23 THR 82 2HG2 THR 82 1.262 6.960 2.159 1336 H VAL 83 H VAL 83 0.893 6.684 -1.589 1337 HA VAL 83 HA VAL 83 2.941 8.537 -0.850 1338 HB VAL 83 HB VAL 83 3.403 6.714 -2.446 1339 HG11 VAL 83 1HG1 VAL 83 2.038 8.361 -4.573 1340 HG12 VAL 83 2HG1 VAL 83 1.206 7.063 -3.732 1341 HG13 VAL 83 3HG1 VAL 83 2.627 6.704 -4.670 1342 HG21 VAL 83 3HG2 VAL 83 4.601 9.055 -2.341 1343 HG22 VAL 83 1HG2 VAL 83 3.884 9.275 -3.941 1344 HG23 VAL 83 2HG2 VAL 83 4.989 7.930 -3.644 1345 H ALA 84 H ALA 84 0.062 8.893 -2.882 1346 HA ALA 84 HA ALA 84 0.671 11.522 -3.775 1347 HB1 ALA 84 1HB ALA 84 -1.565 11.614 -4.548 1348 HB2 ALA 84 2HB ALA 84 -2.100 10.404 -3.380 1349 HB3 ALA 84 3HB ALA 84 -1.071 9.932 -4.732 1350 H CYS 85 H CHC 85 -0.725 10.190 -0.881 1351 HA CYS 85 HA CHC 85 -1.888 12.580 0.121 1352 HB2 CYS 85 2HB CHC 85 -2.393 10.233 0.927 1353 HB3 CYS 85 1HB CHC 85 -0.839 10.265 1.759 1354 H ASN 86 H ASN 86 1.174 10.880 0.971 1355 HA ASN 86 HA ASN 86 2.091 12.945 2.660 1356 HB2 ASN 86 2HB ASN 86 3.144 10.649 2.368 1357 HB3 ASN 86 1HB ASN 86 3.892 11.280 0.901 1358 HD21 ASN 86 1HD2 ASN 86 5.610 10.510 2.978 1359 HD22 ASN 86 2HD2 ASN 86 6.282 11.888 3.706 1360 H ASN 87 H ASN 87 2.354 12.464 -0.847 1361 HA ASN 87 HA ASN 87 4.004 14.684 -1.434 1362 HB2 ASN 87 2HB ASN 87 1.789 13.390 -3.043 1363 HB3 ASN 87 1HB ASN 87 2.936 14.557 -3.692 1364 HD21 ASN 87 1HD2 ASN 87 2.802 11.893 -4.725 1365 HD22 ASN 87 2HD2 ASN 87 4.237 11.086 -4.313 1366 H PHE 88 H PHE 88 0.529 14.374 -0.943 1367 HA PHE 88 HA PHE 88 -0.194 16.988 -1.728 1368 HB2 PHE 88 2HB PHE 88 -1.801 15.118 -1.439 1369 HB3 PHE 88 1HB PHE 88 -1.559 15.213 0.305 1370 HD1 PHE 88 1HD PHE 88 -2.836 17.019 -2.668 1371 HD2 PHE 88 2HD PHE 88 -2.520 16.988 1.616 1372 HE1 PHE 88 1HE PHE 88 -4.509 18.845 -2.531 1373 HE2 PHE 88 2HE PHE 88 -4.193 18.814 1.753 1374 HZ PHE 88 HZ PHE 88 -5.186 19.743 -0.321 1375 H PHE 89 H PHE 89 0.607 15.627 1.471 1376 HA PHE 89 HA PHE 89 0.124 18.005 2.913 1377 HB2 PHE 89 2HB PHE 89 0.325 15.757 3.940 1378 HB3 PHE 89 1HB PHE 89 2.055 15.782 3.597 1379 HD1 PHE 89 2HD PHE 89 -0.663 17.390 5.535 1380 HD2 PHE 89 1HD PHE 89 3.576 17.128 4.892 1381 HE1 PHE 89 2HE PHE 89 -0.268 18.679 7.618 1382 HE2 PHE 89 1HE PHE 89 3.971 18.417 6.974 1383 HZ PHE 89 HZ PHE 89 2.049 19.193 8.337 1384 H TRP 90 H TRP 90 3.220 16.635 1.722 1385 HA TRP 90 HA TRP 90 4.787 18.842 2.585 1386 HB2 TRP 90 2HB TRP 90 5.780 16.657 2.085 1387 HB3 TRP 90 1HB TRP 90 5.391 16.889 0.374 1388 HD1 TRP 90 HD TRP 90 6.446 19.058 -0.800 1389 HE1 TRP 90 1HE TRP 90 8.720 20.216 -0.443 1390 HE3 TRP 90 3HE TRP 90 7.626 17.202 3.791 1391 HZ2 TRP 90 2HZ TRP 90 10.774 20.334 1.556 1392 HZ3 TRP 90 3HZ TRP 90 9.741 17.851 4.907 1393 HH2 TRP 90 HH TRP 90 11.314 19.413 3.797 1394 H GLU 91 H GLU 91 3.203 18.089 -0.440 1395 HA GLU 91 HA GLU 91 4.151 20.627 -1.581 1396 HB2 GLU 91 2HB GLU 91 4.243 18.152 -2.583 1397 HB3 GLU 91 1HB GLU 91 2.644 18.603 -3.169 1398 HG2 GLU 91 2HG GLU 91 5.134 20.294 -3.587 1399 HG3 GLU 91 1HG GLU 91 4.507 19.154 -4.777 1400 H ASN 92 H ASN 92 2.791 22.217 -2.257 1401 HA ASN 92 HA ASN 92 -0.050 21.933 -1.498 1402 HB2 ASN 92 2HB ASN 92 1.609 24.424 -1.957 1403 HB3 ASN 92 1HB ASN 92 -0.081 24.395 -1.459 1404 HD21 ASN 92 1HD2 ASN 92 -0.029 22.295 0.444 1405 HD22 ASN 92 2HD2 ASN 92 0.963 22.755 1.743 1406 H SER 93 H SER 93 -1.650 22.207 -2.970 1407 HA SER 93 HA SER 93 -1.354 23.521 -5.468 1408 HB2 SER 93 2HB SER 93 -0.046 21.730 -6.261 1409 HB3 SER 93 1HB SER 93 -1.021 20.528 -5.422 1410 HG SER 93 HG SER 93 -2.520 22.034 -7.099 1411 H1 HCS 201 1HT CHC 85 1.282 -12.602 10.732 1412 H2 HCS 201 2HT CHC 85 0.578 -14.100 10.350 1413 H HCS 201 3HT CHC 85 -0.094 -12.663 9.743 1414 HCA HCS 201 HH CHC 85 1.418 -14.151 8.248 1415 HB2 HCS 201 1HZ CHC 85 2.217 -11.974 7.154 1416 HB3 HCS 201 2HZ CHC 85 1.425 -11.137 8.488 1417 HG2 HCS 201 1HE CHC 85 -0.719 -12.023 7.882 1418 HG3 HCS 201 2HE CHC 85 0.001 -13.166 6.750 1419 H1 HCS 201 1HT CHC 85 -3.399 13.855 8.489 1420 H2 HCS 201 2HT CHC 85 -2.608 15.302 8.080 1421 H HCS 201 3HT CHC 85 -1.840 13.809 7.823 1422 HCA HCS 201 HH CHC 85 -2.971 15.072 5.856 1423 HB2 HCS 201 1HZ CHC 85 -3.545 12.761 4.905 1424 HB3 HCS 201 2HZ CHC 85 -3.072 12.113 6.475 1425 HG2 HCS 201 1HE CHC 85 -0.836 12.945 6.239 1426 HG3 HCS 201 2HE CHC 85 -1.278 13.923 4.840 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.127 5.205 13.320 2 HA2 GLY 1 2HA GLY 1 -12.769 3.032 12.094 3 HA3 GLY 1 1HA GLY 1 -14.009 4.044 11.359 4 H SER 2 H SER 2 -11.364 5.932 11.945 5 HA SER 2 HA SER 2 -10.616 6.026 9.139 6 HB2 SER 2 2HB SER 2 -9.497 8.042 9.670 7 HB3 SER 2 1HB SER 2 -10.944 8.050 10.675 8 HG SER 2 HG SER 2 -8.460 8.250 11.465 9 H GLU 3 H GLU 3 -9.836 3.872 11.287 10 HA GLU 3 HA GLU 3 -7.151 3.850 11.821 11 HB2 GLU 3 2HB GLU 3 -8.854 2.175 12.577 12 HB3 GLU 3 1HB GLU 3 -8.707 1.416 10.990 13 HG2 GLU 3 2HG GLU 3 -6.255 1.189 11.390 14 HG3 GLU 3 1HG GLU 3 -6.492 1.811 13.012 15 H LEU 4 H LEU 4 -8.688 3.102 8.740 16 HA LEU 4 HA LEU 4 -6.555 1.836 7.447 17 HB2 LEU 4 2HB LEU 4 -8.946 2.362 6.597 18 HB3 LEU 4 1HB LEU 4 -8.299 3.933 6.139 19 HG LEU 4 HG LEU 4 -7.002 1.337 5.270 20 HD11 LEU 4 1HD1 LEU 4 -8.231 1.376 3.214 21 HD12 LEU 4 2HD1 LEU 4 -9.039 2.880 3.642 22 HD13 LEU 4 3HD1 LEU 4 -9.398 1.400 4.531 23 HD21 LEU 4 3HD2 LEU 4 -5.510 2.661 4.291 24 HD22 LEU 4 1HD2 LEU 4 -6.344 4.103 4.855 25 HD23 LEU 4 2HD2 LEU 4 -6.772 3.393 3.309 26 H GLU 5 H GLU 5 -7.272 5.274 8.008 27 HA GLU 5 HA GLU 5 -5.032 6.294 6.603 28 HB2 GLU 5 2HB GLU 5 -6.715 7.486 8.809 29 HB3 GLU 5 1HB GLU 5 -5.386 8.353 8.043 30 HG2 GLU 5 2HG GLU 5 -7.764 7.183 6.571 31 HG3 GLU 5 1HG GLU 5 -7.580 8.884 6.992 32 H THR 6 H THR 6 -5.480 5.150 9.917 33 HA THR 6 HA THR 6 -3.053 6.129 10.956 34 HB THR 6 HB THR 6 -4.378 3.482 11.618 35 HG1 THR 6 1HG THR 6 -5.678 5.484 11.728 36 HG21 THR 6 3HG2 THR 6 -3.298 3.824 13.809 37 HG22 THR 6 1HG2 THR 6 -2.562 5.310 13.212 38 HG23 THR 6 2HG2 THR 6 -2.101 3.757 12.516 39 H ALA 7 H ALA 7 -3.892 3.203 9.148 40 HA ALA 7 HA ALA 7 -1.285 2.042 9.194 41 HB1 ALA 7 1HB ALA 7 -2.085 0.527 7.611 42 HB2 ALA 7 2HB ALA 7 -3.143 1.722 6.860 43 HB3 ALA 7 3HB ALA 7 -3.560 1.036 8.423 44 H MET 8 H MET 8 -2.911 4.200 6.880 45 HA MET 8 HA MET 8 -0.850 4.301 4.940 46 HB2 MET 8 2HB MET 8 -2.917 6.350 5.796 47 HB3 MET 8 1HB MET 8 -1.913 6.516 4.359 48 HG2 MET 8 2HG MET 8 -2.814 4.415 3.457 49 HG3 MET 8 1HG MET 8 -3.796 4.189 4.890 50 HE1 MET 8 3HE MET 8 -4.353 7.168 1.476 51 HE2 MET 8 1HE MET 8 -3.072 5.973 1.716 52 HE3 MET 8 2HE MET 8 -3.066 7.479 2.635 53 H GLU 9 H GLU 9 -1.427 6.183 7.876 54 HA GLU 9 HA GLU 9 0.765 7.952 7.567 55 HB2 GLU 9 2HB GLU 9 -0.727 7.049 10.041 56 HB3 GLU 9 1HB GLU 9 0.507 8.310 10.035 57 HG2 GLU 9 2HG GLU 9 -0.820 9.580 8.370 58 HG3 GLU 9 1HG GLU 9 -2.067 8.342 8.434 59 H THR 10 H THR 10 0.386 4.701 8.951 60 HA THR 10 HA THR 10 2.924 4.628 10.204 61 HB THR 10 HB THR 10 1.421 2.324 8.965 62 HG1 THR 10 1HG THR 10 0.827 2.139 11.302 63 HG21 THR 10 3HG2 THR 10 3.767 1.846 9.513 64 HG22 THR 10 1HG2 THR 10 2.688 1.016 10.625 65 HG23 THR 10 2HG2 THR 10 3.520 2.477 11.143 66 H LEU 11 H LEU 11 1.837 3.734 6.915 67 HA LEU 11 HA LEU 11 4.342 2.728 6.063 68 HB2 LEU 11 2HB LEU 11 2.339 4.222 4.352 69 HB3 LEU 11 1HB LEU 11 3.550 3.076 3.793 70 HG LEU 11 HG LEU 11 1.115 2.478 5.485 71 HD11 LEU 11 1HD1 LEU 11 0.722 2.751 3.069 72 HD12 LEU 11 2HD1 LEU 11 0.474 1.081 3.576 73 HD13 LEU 11 3HD1 LEU 11 1.956 1.538 2.736 74 HD21 LEU 11 3HD2 LEU 11 2.677 0.986 6.381 75 HD22 LEU 11 1HD2 LEU 11 3.531 0.802 4.839 76 HD23 LEU 11 2HD2 LEU 11 1.955 0.051 5.071 77 H ILE 12 H ILE 12 2.906 5.957 6.040 78 HA ILE 12 HA ILE 12 5.064 7.253 4.732 79 HB ILE 12 HB ILE 12 3.085 8.340 6.744 80 HG12 ILE 12 2HG1 ILE 12 3.141 8.597 3.726 81 HG13 ILE 12 1HG1 ILE 12 2.189 7.386 4.560 82 HG21 ILE 12 1HG2 ILE 12 3.721 10.544 5.682 83 HG22 ILE 12 2HG2 ILE 12 5.073 9.710 4.917 84 HG23 ILE 12 3HG2 ILE 12 4.983 9.816 6.676 85 HD11 ILE 12 3HD1 ILE 12 1.052 9.636 3.912 86 HD12 ILE 12 1HD1 ILE 12 1.947 10.300 5.280 87 HD13 ILE 12 2HD1 ILE 12 0.780 9.003 5.537 88 H ASN 13 H ASN 13 4.423 6.710 8.179 89 HA ASN 13 HA ASN 13 6.628 8.129 9.174 90 HB2 ASN 13 2HB ASN 13 5.104 5.801 10.330 91 HB3 ASN 13 1HB ASN 13 6.281 6.759 11.227 92 HD21 ASN 13 1HD2 ASN 13 3.532 6.677 12.021 93 HD22 ASN 13 2HD2 ASN 13 2.856 8.213 11.760 94 H VAL 14 H VAL 14 6.393 4.661 8.267 95 HA VAL 14 HA VAL 14 9.061 4.175 9.215 96 HB VAL 14 HB VAL 14 8.892 1.946 8.289 97 HG11 VAL 14 1HG1 VAL 14 6.156 2.674 9.374 98 HG12 VAL 14 2HG1 VAL 14 7.595 2.568 10.383 99 HG13 VAL 14 3HG1 VAL 14 7.002 1.134 9.545 100 HG21 VAL 14 3HG2 VAL 14 6.727 1.302 7.074 101 HG22 VAL 14 1HG2 VAL 14 7.902 2.219 6.136 102 HG23 VAL 14 2HG2 VAL 14 6.482 3.016 6.801 103 H PHE 15 H PHE 15 7.664 4.833 5.979 104 HA PHE 15 HA PHE 15 10.093 4.499 4.549 105 HB2 PHE 15 2HB PHE 15 7.934 4.713 3.394 106 HB3 PHE 15 1HB PHE 15 7.798 6.385 3.953 107 HD1 PHE 15 1HD PHE 15 10.009 4.081 2.010 108 HD2 PHE 15 2HD PHE 15 8.850 8.138 2.799 109 HE1 PHE 15 1HE PHE 15 11.438 4.861 0.147 110 HE2 PHE 15 2HE PHE 15 10.274 8.913 0.923 111 HZ PHE 15 HZ PHE 15 11.570 7.271 -0.405 112 H HIS 16 H HIS 16 8.571 7.278 6.086 113 HA HIS 16 HA HIS 16 10.604 9.140 5.496 114 HB2 HIS 16 2HB HIS 16 8.338 9.797 6.269 115 HB3 HIS 16 1HB HIS 16 8.695 9.097 7.847 116 HD1 HIS 16 1HD HIS 16 10.297 11.665 5.506 117 HD2 HIS 16 2HD HIS 16 9.747 10.955 9.577 118 HE1 HIS 16 1HE HIS 16 11.300 13.646 6.724 119 HE2 HIS 16 2HE HIS 16 10.974 13.228 9.205 120 H ALA 17 H ALA 17 10.158 6.813 8.072 121 HA ALA 17 HA ALA 17 12.131 7.752 9.800 122 HB1 ALA 17 1HB ALA 17 12.172 5.557 10.727 123 HB2 ALA 17 2HB ALA 17 11.676 4.815 9.199 124 HB3 ALA 17 3HB ALA 17 10.524 5.774 10.140 125 H HIS 18 H HIS 18 12.397 5.369 7.126 126 HA HIS 18 HA HIS 18 15.301 5.430 7.482 127 HB2 HIS 18 2HB HIS 18 13.472 3.947 5.667 128 HB3 HIS 18 1HB HIS 18 15.199 3.983 5.327 129 HD1 HIS 18 1HD HIS 18 12.953 3.352 8.364 130 HD2 HIS 18 2HD HIS 18 16.582 2.082 6.764 131 HE1 HIS 18 1HE HIS 18 13.855 1.593 9.947 132 HE2 HIS 18 2HE HIS 18 16.070 0.807 8.985 133 H SER 19 H SER 19 13.207 6.516 4.731 134 HA SER 19 HA SER 19 15.347 7.463 3.196 135 HB2 SER 19 2HB SER 19 12.996 7.250 2.377 136 HB3 SER 19 1HB SER 19 12.591 8.691 3.295 137 HG SER 19 HG SER 19 13.105 9.350 1.214 138 H GLY 20 H GLY 20 13.456 9.003 5.769 139 HA2 GLY 20 2HA GLY 20 14.761 11.570 5.638 140 HA3 GLY 20 1HA GLY 20 13.690 11.005 6.900 141 H LYS 21 H LYS 21 15.074 8.741 7.803 142 HA LYS 21 HA LYS 21 16.937 9.882 9.576 143 HB2 LYS 21 2HB LYS 21 15.857 7.767 10.026 144 HB3 LYS 21 1HB LYS 21 16.688 7.007 8.669 145 HG2 LYS 21 2HG LYS 21 18.848 7.461 9.816 146 HG3 LYS 21 1HG LYS 21 17.955 8.169 11.166 147 HD2 LYS 21 2HD LYS 21 18.417 5.854 11.706 148 HD3 LYS 21 1HD LYS 21 16.697 6.006 11.387 149 HE2 LYS 21 2HE LYS 21 18.365 5.396 9.009 150 HE3 LYS 21 1HE LYS 21 18.297 4.121 10.228 151 HZ1 LYS 21 3HZ LYS 21 16.505 4.082 8.490 152 HZ2 LYS 21 1HZ LYS 21 15.874 5.482 9.208 153 HZ3 LYS 21 2HZ LYS 21 15.967 4.040 10.101 154 H GLU 22 H GLU 22 17.511 8.105 6.541 155 HA GLU 22 HA GLU 22 20.227 9.275 6.519 156 HB2 GLU 22 2HB GLU 22 20.320 6.890 7.240 157 HB3 GLU 22 1HB GLU 22 19.571 6.438 5.709 158 HG2 GLU 22 2HG GLU 22 21.451 7.536 4.500 159 HG3 GLU 22 1HG GLU 22 22.215 7.883 6.050 160 H GLY 23 H GLY 23 20.854 10.093 4.560 161 HA2 GLY 23 2HA GLY 23 20.808 10.545 2.286 162 HA3 GLY 23 1HA GLY 23 19.674 9.212 2.089 163 H ASP 24 H ASP 24 18.660 10.740 0.543 164 HA ASP 24 HA ASP 24 17.361 13.099 1.506 165 HB2 ASP 24 2HB ASP 24 16.892 11.431 -0.969 166 HB3 ASP 24 1HB ASP 24 16.090 12.962 -0.643 167 H LYS 25 H LYS 25 15.278 13.393 2.146 168 HA LYS 25 HA LYS 25 13.964 11.402 3.626 169 HB2 LYS 25 2HB LYS 25 12.703 13.812 2.348 170 HB3 LYS 25 1HB LYS 25 12.138 12.961 3.778 171 HG2 LYS 25 2HG LYS 25 14.202 13.652 4.993 172 HG3 LYS 25 1HG LYS 25 14.738 14.542 3.561 173 HD2 LYS 25 2HD LYS 25 12.418 15.700 3.677 174 HD3 LYS 25 1HD LYS 25 12.359 15.086 5.329 175 HE2 LYS 25 2HE LYS 25 14.498 16.831 4.124 176 HE3 LYS 25 1HE LYS 25 13.309 17.322 5.333 177 HZ1 LYS 25 3HZ LYS 25 15.802 16.231 5.804 178 HZ2 LYS 25 1HZ LYS 25 14.700 14.998 6.178 179 HZ3 LYS 25 2HZ LYS 25 14.577 16.508 6.948 180 H TYR 26 H TYR 26 13.632 12.492 0.362 181 HA TYR 26 HA TYR 26 11.302 10.774 -0.077 182 HB2 TYR 26 2HB TYR 26 12.530 13.025 -1.675 183 HB3 TYR 26 1HB TYR 26 11.100 12.112 -2.167 184 HD1 TYR 26 2HD TYR 26 9.017 12.249 -0.925 185 HD2 TYR 26 1HD TYR 26 12.429 14.620 0.259 186 HE1 TYR 26 2HE TYR 26 7.560 13.644 0.509 187 HE2 TYR 26 1HE TYR 26 10.951 16.003 1.677 188 HH TYR 26 HH TYR 26 7.831 15.091 2.535 189 H LYS 27 H LYS 27 14.372 9.940 -0.064 190 HA LYS 27 HA LYS 27 13.997 8.293 -2.495 191 HB2 LYS 27 2HB LYS 27 15.536 10.339 -2.987 192 HB3 LYS 27 1HB LYS 27 16.716 9.469 -2.017 193 HG2 LYS 27 2HG LYS 27 17.099 8.796 -4.271 194 HG3 LYS 27 1HG LYS 27 16.266 7.456 -3.484 195 HD2 LYS 27 2HD LYS 27 14.549 7.581 -4.972 196 HD3 LYS 27 1HD LYS 27 14.273 9.269 -4.556 197 HE2 LYS 27 2HE LYS 27 15.955 9.991 -6.168 198 HE3 LYS 27 1HE LYS 27 16.376 8.321 -6.527 199 HZ1 LYS 27 3HZ LYS 27 14.028 7.999 -7.220 200 HZ2 LYS 27 1HZ LYS 27 14.894 9.078 -8.200 201 HZ3 LYS 27 2HZ LYS 27 13.792 9.673 -7.053 202 H LEU 28 H LEU 28 14.715 6.225 -2.250 203 HA LEU 28 HA LEU 28 15.975 5.619 0.355 204 HB2 LEU 28 2HB LEU 28 13.576 4.862 -0.305 205 HB3 LEU 28 1HB LEU 28 14.384 3.730 -1.334 206 HG LEU 28 HG LEU 28 15.533 2.695 0.557 207 HD11 LEU 28 1HD1 LEU 28 15.859 4.205 2.307 208 HD12 LEU 28 2HD1 LEU 28 14.411 3.397 2.888 209 HD13 LEU 28 3HD1 LEU 28 14.276 4.961 2.096 210 HD21 LEU 28 3HD2 LEU 28 12.528 3.012 0.944 211 HD22 LEU 28 1HD2 LEU 28 13.492 1.733 1.663 212 HD23 LEU 28 2HD2 LEU 28 13.312 1.827 -0.092 213 H SER 29 H SER 29 17.952 4.681 0.307 214 HA SER 29 HA SER 29 19.053 3.860 -2.296 215 HB2 SER 29 2HB SER 29 20.264 5.613 -1.009 216 HB3 SER 29 1HB SER 29 20.511 4.446 0.283 217 HG SER 29 HG SER 29 21.526 3.103 -1.350 218 H LYS 30 H LYS 30 20.473 1.949 -2.355 219 HA LYS 30 HA LYS 30 19.254 -0.375 -1.511 220 HB2 LYS 30 2HB LYS 30 21.106 -0.244 -3.164 221 HB3 LYS 30 1HB LYS 30 22.222 0.024 -1.824 222 HG2 LYS 30 2HG LYS 30 21.449 -2.168 -0.829 223 HG3 LYS 30 1HG LYS 30 20.501 -2.427 -2.293 224 HD2 LYS 30 2HD LYS 30 22.617 -3.560 -2.553 225 HD3 LYS 30 1HD LYS 30 22.611 -2.162 -3.629 226 HE2 LYS 30 2HE LYS 30 24.204 -1.043 -2.400 227 HE3 LYS 30 1HE LYS 30 23.651 -1.708 -0.858 228 HZ1 LYS 30 3HZ LYS 30 25.477 -2.970 -1.057 229 HZ2 LYS 30 1HZ LYS 30 25.606 -2.739 -2.732 230 HZ3 LYS 30 2HZ LYS 30 24.533 -3.903 -2.118 231 H LYS 31 H LYS 31 21.958 1.319 0.010 232 HA LYS 31 HA LYS 31 22.366 -0.502 2.085 233 HB2 LYS 31 2HB LYS 31 23.604 1.293 3.148 234 HB3 LYS 31 1HB LYS 31 23.900 1.351 1.408 235 HG2 LYS 31 2HG LYS 31 22.056 3.066 1.228 236 HG3 LYS 31 1HG LYS 31 21.996 3.078 2.992 237 HD2 LYS 31 2HD LYS 31 24.372 3.602 3.035 238 HD3 LYS 31 1HD LYS 31 24.365 3.806 1.290 239 HE2 LYS 31 2HE LYS 31 22.407 5.309 3.020 240 HE3 LYS 31 1HE LYS 31 24.051 5.910 2.822 241 HZ1 LYS 31 3HZ LYS 31 21.873 5.997 0.998 242 HZ2 LYS 31 1HZ LYS 31 23.213 5.228 0.298 243 HZ3 LYS 31 2HZ LYS 31 23.370 6.798 0.926 244 H GLU 32 H GLU 32 20.453 2.498 1.972 245 HA GLU 32 HA GLU 32 19.491 2.395 4.619 246 HB2 GLU 32 2HB GLU 32 18.141 3.545 2.165 247 HB3 GLU 32 1HB GLU 32 17.693 3.901 3.829 248 HG2 GLU 32 2HG GLU 32 19.995 4.773 4.222 249 HG3 GLU 32 1HG GLU 32 20.353 4.499 2.525 250 H LEU 33 H LEU 33 17.874 1.194 1.590 251 HA LEU 33 HA LEU 33 15.617 0.286 3.023 252 HB2 LEU 33 2HB LEU 33 15.118 -1.211 1.091 253 HB3 LEU 33 1HB LEU 33 15.264 0.483 0.729 254 HG LEU 33 HG LEU 33 17.837 -0.312 0.278 255 HD11 LEU 33 1HD1 LEU 33 16.071 -2.546 -0.803 256 HD12 LEU 33 2HD1 LEU 33 17.104 -2.727 0.620 257 HD13 LEU 33 3HD1 LEU 33 17.819 -2.408 -0.954 258 HD21 LEU 33 3HD2 LEU 33 16.823 1.061 -1.343 259 HD22 LEU 33 1HD2 LEU 33 15.394 0.037 -1.460 260 HD23 LEU 33 2HD2 LEU 33 16.896 -0.476 -2.214 261 H LYS 34 H LYS 34 18.724 -1.205 2.367 262 HA LYS 34 HA LYS 34 17.999 -3.799 3.121 263 HB2 LYS 34 2HB LYS 34 20.271 -3.157 2.291 264 HB3 LYS 34 1HB LYS 34 20.571 -2.352 3.830 265 HG2 LYS 34 2HG LYS 34 21.564 -4.490 4.078 266 HG3 LYS 34 1HG LYS 34 20.024 -4.623 4.925 267 HD2 LYS 34 2HD LYS 34 19.010 -5.732 3.002 268 HD3 LYS 34 1HD LYS 34 20.470 -5.480 2.056 269 HE2 LYS 34 2HE LYS 34 19.848 -7.617 3.914 270 HE3 LYS 34 1HE LYS 34 21.201 -7.488 2.794 271 HZ1 LYS 34 3HZ LYS 34 21.821 -7.617 5.189 272 HZ2 LYS 34 1HZ LYS 34 21.107 -6.094 5.410 273 HZ3 LYS 34 2HZ LYS 34 22.443 -6.263 4.373 274 H GLU 35 H GLU 35 18.623 -0.852 5.005 275 HA GLU 35 HA GLU 35 18.447 -2.222 7.538 276 HB2 GLU 35 2HB GLU 35 18.373 0.703 6.807 277 HB3 GLU 35 1HB GLU 35 18.370 0.094 8.462 278 HG2 GLU 35 2HG GLU 35 20.500 -1.098 8.001 279 HG3 GLU 35 1HG GLU 35 20.513 -0.411 6.378 280 H LEU 36 H LEU 36 16.172 -0.263 5.581 281 HA LEU 36 HA LEU 36 14.158 -0.120 7.570 282 HB2 LEU 36 2HB LEU 36 14.401 1.219 5.367 283 HB3 LEU 36 1HB LEU 36 13.574 -0.138 4.615 284 HG LEU 36 HG LEU 36 12.493 1.597 6.881 285 HD11 LEU 36 1HD1 LEU 36 12.570 2.208 4.227 286 HD12 LEU 36 2HD1 LEU 36 11.295 2.737 5.326 287 HD13 LEU 36 3HD1 LEU 36 11.053 1.329 4.312 288 HD21 LEU 36 3HD2 LEU 36 11.482 -0.455 7.318 289 HD22 LEU 36 1HD2 LEU 36 11.474 -0.945 5.627 290 HD23 LEU 36 2HD2 LEU 36 10.338 0.268 6.198 291 H LEU 37 H LEU 37 14.509 -2.443 4.821 292 HA LEU 37 HA LEU 37 12.106 -3.796 5.486 293 HB2 LEU 37 2HB LEU 37 14.514 -4.721 3.919 294 HB3 LEU 37 1HB LEU 37 13.096 -5.732 4.170 295 HG LEU 37 HG LEU 37 13.199 -4.348 1.993 296 HD11 LEU 37 1HD1 LEU 37 10.736 -3.842 3.682 297 HD12 LEU 37 2HD1 LEU 37 11.139 -5.435 3.038 298 HD13 LEU 37 3HD1 LEU 37 10.828 -4.096 1.939 299 HD21 LEU 37 3HD2 LEU 37 13.923 -2.266 3.195 300 HD22 LEU 37 1HD2 LEU 37 12.300 -2.153 3.856 301 HD23 LEU 37 2HD2 LEU 37 12.553 -2.044 2.118 302 H GLN 38 H GLN 38 15.480 -4.350 6.444 303 HA GLN 38 HA GLN 38 14.974 -6.740 7.868 304 HB2 GLN 38 2HB GLN 38 17.160 -4.682 8.182 305 HB3 GLN 38 1HB GLN 38 17.131 -6.231 9.025 306 HG2 GLN 38 2HG GLN 38 17.102 -7.427 6.889 307 HG3 GLN 38 1HG GLN 38 17.057 -5.903 6.008 308 HE21 GLN 38 1HE2 GLN 38 19.191 -7.761 5.613 309 HE22 GLN 38 2HE2 GLN 38 20.617 -7.082 6.233 310 H THR 39 H THR 39 14.899 -3.326 8.882 311 HA THR 39 HA THR 39 14.512 -3.942 11.647 312 HB THR 39 HB THR 39 13.935 -1.577 11.890 313 HG1 THR 39 1HG THR 39 13.118 -1.876 9.416 314 HG21 THR 39 3HG2 THR 39 16.016 -0.791 10.289 315 HG22 THR 39 1HG2 THR 39 16.332 -2.519 10.438 316 HG23 THR 39 2HG2 THR 39 16.210 -1.517 11.882 317 H GLU 40 H GLU 40 12.301 -3.257 8.964 318 HA GLU 40 HA GLU 40 10.003 -3.520 10.743 319 HB2 GLU 40 2HB GLU 40 10.226 -2.872 7.804 320 HB3 GLU 40 1HB GLU 40 8.700 -3.033 8.667 321 HG2 GLU 40 2HG GLU 40 10.901 -1.105 9.449 322 HG3 GLU 40 1HG GLU 40 9.468 -0.664 8.522 323 H LEU 41 H LEU 41 11.272 -5.140 7.832 324 HA LEU 41 HA LEU 41 9.508 -7.425 8.455 325 HB2 LEU 41 2HB LEU 41 10.959 -6.868 5.862 326 HB3 LEU 41 1HB LEU 41 9.741 -8.097 6.148 327 HG LEU 41 HG LEU 41 9.344 -5.096 6.105 328 HD11 LEU 41 1HD1 LEU 41 8.273 -5.409 4.094 329 HD12 LEU 41 2HD1 LEU 41 7.698 -7.019 4.523 330 HD13 LEU 41 3HD1 LEU 41 9.366 -6.790 4.014 331 HD21 LEU 41 3HD2 LEU 41 7.569 -7.293 7.139 332 HD22 LEU 41 1HD2 LEU 41 6.856 -5.870 6.384 333 HD23 LEU 41 2HD2 LEU 41 7.861 -5.686 7.817 334 H SER 42 H SER 42 10.273 -9.464 8.688 335 HA SER 42 HA SER 42 13.224 -9.730 8.795 336 HB2 SER 42 2HB SER 42 11.885 -9.890 10.983 337 HB3 SER 42 1HB SER 42 11.273 -11.418 10.357 338 HG SER 42 HG SER 42 13.177 -11.674 11.619 339 H GLY 43 H GLY 43 10.385 -11.875 8.671 340 HA2 GLY 43 2HA GLY 43 11.633 -13.983 7.337 341 HA3 GLY 43 1HA GLY 43 9.901 -13.708 7.392 342 H PHE 44 H PHE 44 9.893 -11.185 5.919 343 HA PHE 44 HA PHE 44 9.702 -12.226 3.316 344 HB2 PHE 44 2HB PHE 44 9.911 -9.377 4.288 345 HB3 PHE 44 1HB PHE 44 9.586 -9.807 2.612 346 HD1 PHE 44 1HD PHE 44 7.491 -10.911 1.965 347 HD2 PHE 44 2HD PHE 44 8.227 -9.759 6.045 348 HE1 PHE 44 1HE PHE 44 5.091 -11.226 2.494 349 HE2 PHE 44 2HE PHE 44 5.828 -10.073 6.564 350 HZ PHE 44 HZ PHE 44 4.260 -10.804 4.790 351 H LEU 45 H LEU 45 12.237 -10.026 4.610 352 HA LEU 45 HA LEU 45 13.828 -10.330 2.220 353 HB2 LEU 45 2HB LEU 45 14.024 -8.770 4.719 354 HB3 LEU 45 1HB LEU 45 15.577 -9.320 4.100 355 HG LEU 45 HG LEU 45 14.792 -7.048 3.237 356 HD11 LEU 45 1HD1 LEU 45 16.437 -7.712 1.830 357 HD12 LEU 45 2HD1 LEU 45 15.150 -8.153 0.711 358 HD13 LEU 45 3HD1 LEU 45 15.857 -9.379 1.772 359 HD21 LEU 45 3HD2 LEU 45 12.390 -8.375 2.764 360 HD22 LEU 45 1HD2 LEU 45 13.116 -8.298 1.153 361 HD23 LEU 45 2HD2 LEU 45 12.856 -6.822 2.077 362 H ASP 46 H ASP 46 13.862 -11.701 5.436 363 HA ASP 46 HA ASP 46 16.291 -13.074 5.232 364 HB2 ASP 46 2HB ASP 46 15.028 -12.717 7.350 365 HB3 ASP 46 1HB ASP 46 13.860 -13.927 6.819 366 H ALA 47 H ALA 47 13.115 -13.821 4.019 367 HA ALA 47 HA ALA 47 13.275 -16.564 3.676 368 HB1 ALA 47 1HB ALA 47 11.669 -16.207 1.779 369 HB2 ALA 47 2HB ALA 47 11.917 -14.471 1.975 370 HB3 ALA 47 3HB ALA 47 11.207 -15.415 3.286 371 H GLN 48 H GLN 48 14.840 -14.035 1.762 372 HA GLN 48 HA GLN 48 15.562 -15.998 -0.293 373 HB2 GLN 48 2HB GLN 48 16.417 -13.114 -0.019 374 HB3 GLN 48 1HB GLN 48 16.571 -14.136 -1.450 375 HG2 GLN 48 2HG GLN 48 13.989 -13.218 -0.156 376 HG3 GLN 48 1HG GLN 48 14.628 -12.699 -1.715 377 HE21 GLN 48 1HE2 GLN 48 12.296 -14.648 -0.493 378 HE22 GLN 48 2HE2 GLN 48 12.260 -15.858 -1.686 379 H LYS 49 H LYS 49 17.257 -17.264 -0.016 380 HA LYS 49 HA LYS 49 19.073 -17.061 2.105 381 HB2 LYS 49 2HB LYS 49 18.489 -19.163 0.950 382 HB3 LYS 49 1HB LYS 49 19.398 -18.617 -0.459 383 HG2 LYS 49 2HG LYS 49 21.442 -18.454 0.945 384 HG3 LYS 49 1HG LYS 49 20.524 -19.068 2.321 385 HD2 LYS 49 2HD LYS 49 19.992 -21.117 0.974 386 HD3 LYS 49 1HD LYS 49 21.072 -20.516 -0.284 387 HE2 LYS 49 2HE LYS 49 22.526 -21.869 0.924 388 HE3 LYS 49 1HE LYS 49 22.787 -20.316 1.717 389 HZ1 LYS 49 3HZ LYS 49 21.879 -22.685 2.859 390 HZ2 LYS 49 1HZ LYS 49 20.577 -21.599 2.891 391 HZ3 LYS 49 2HZ LYS 49 22.057 -21.170 3.606 392 H ASP 50 H ASP 50 19.468 -16.054 -1.280 393 HA ASP 50 HA ASP 50 22.253 -15.564 -1.030 394 HB2 ASP 50 2HB ASP 50 20.250 -14.518 -3.025 395 HB3 ASP 50 1HB ASP 50 21.994 -14.267 -3.128 396 H VAL 51 H VAL 51 23.418 -13.745 -0.682 397 HA VAL 51 HA VAL 51 22.227 -11.667 0.913 398 HB VAL 51 HB VAL 51 24.429 -10.772 1.120 399 HG11 VAL 51 1HG1 VAL 51 25.439 -12.544 2.177 400 HG12 VAL 51 2HG1 VAL 51 25.189 -13.643 0.821 401 HG13 VAL 51 3HG1 VAL 51 23.854 -13.269 1.913 402 HG21 VAL 51 3HG2 VAL 51 25.119 -10.670 -1.190 403 HG22 VAL 51 1HG2 VAL 51 25.087 -12.426 -1.339 404 HG23 VAL 51 2HG2 VAL 51 26.306 -11.650 -0.333 405 H ASP 52 H ASP 52 23.051 -12.189 -2.393 406 HA ASP 52 HA ASP 52 22.950 -9.466 -3.275 407 HB2 ASP 52 2HB ASP 52 22.709 -12.093 -4.762 408 HB3 ASP 52 1HB ASP 52 22.775 -10.515 -5.546 409 H ALA 53 H ALA 53 20.665 -11.555 -2.102 410 HA ALA 53 HA ALA 53 18.464 -11.301 -3.779 411 HB1 ALA 53 1HB ALA 53 18.560 -12.748 -1.774 412 HB2 ALA 53 2HB ALA 53 17.119 -11.728 -1.806 413 HB3 ALA 53 3HB ALA 53 18.472 -11.308 -0.756 414 H VAL 54 H VAL 54 19.743 -9.042 -1.340 415 HA VAL 54 HA VAL 54 17.583 -7.219 -1.387 416 HB VAL 54 HB VAL 54 19.510 -7.122 0.237 417 HG11 VAL 54 1HG1 VAL 54 21.193 -7.393 -1.755 418 HG12 VAL 54 2HG1 VAL 54 21.626 -6.319 -0.427 419 HG13 VAL 54 3HG1 VAL 54 21.001 -5.650 -1.933 420 HG21 VAL 54 3HG2 VAL 54 18.854 -4.663 -1.419 421 HG22 VAL 54 1HG2 VAL 54 19.687 -4.607 0.133 422 HG23 VAL 54 2HG2 VAL 54 18.033 -5.208 0.047 423 H ASP 55 H ASP 55 20.513 -7.493 -3.378 424 HA ASP 55 HA ASP 55 20.103 -5.172 -4.922 425 HB2 ASP 55 2HB ASP 55 21.474 -7.777 -5.583 426 HB3 ASP 55 1HB ASP 55 21.547 -6.347 -6.606 427 H LYS 56 H LYS 56 19.054 -8.534 -5.323 428 HA LYS 56 HA LYS 56 17.831 -8.211 -7.844 429 HB2 LYS 56 2HB LYS 56 17.155 -10.092 -5.570 430 HB3 LYS 56 1HB LYS 56 16.509 -10.224 -7.207 431 HG2 LYS 56 2HG LYS 56 18.847 -10.376 -8.073 432 HG3 LYS 56 1HG LYS 56 19.430 -10.372 -6.409 433 HD2 LYS 56 2HD LYS 56 18.041 -12.401 -5.962 434 HD3 LYS 56 1HD LYS 56 17.601 -12.436 -7.670 435 HE2 LYS 56 2HE LYS 56 19.426 -13.905 -7.592 436 HE3 LYS 56 1HE LYS 56 20.179 -12.387 -8.083 437 HZ1 LYS 56 3HZ LYS 56 20.215 -12.205 -5.400 438 HZ2 LYS 56 1HZ LYS 56 21.513 -12.752 -6.345 439 HZ3 LYS 56 2HZ LYS 56 20.456 -13.872 -5.626 440 H VAL 57 H VAL 57 16.656 -7.695 -4.554 441 HA VAL 57 HA VAL 57 13.950 -7.231 -5.233 442 HB VAL 57 HB VAL 57 15.600 -6.335 -2.866 443 HG11 VAL 57 1HG1 VAL 57 13.817 -4.808 -2.865 444 HG12 VAL 57 2HG1 VAL 57 13.194 -6.128 -1.875 445 HG13 VAL 57 3HG1 VAL 57 12.692 -5.975 -3.560 446 HG21 VAL 57 3HG2 VAL 57 15.113 -8.827 -3.333 447 HG22 VAL 57 1HG2 VAL 57 13.428 -8.433 -2.990 448 HG23 VAL 57 2HG2 VAL 57 14.657 -8.206 -1.744 449 H MET 58 H MET 58 16.669 -4.954 -4.746 450 HA MET 58 HA MET 58 15.007 -2.687 -5.167 451 HB2 MET 58 2HB MET 58 16.785 -1.433 -4.574 452 HB3 MET 58 1HB MET 58 17.380 -2.980 -3.999 453 HG2 MET 58 2HG MET 58 19.214 -2.381 -5.213 454 HG3 MET 58 1HG MET 58 18.302 -3.060 -6.551 455 HE1 MET 58 3HE MET 58 18.970 -0.268 -4.336 456 HE2 MET 58 1HE MET 58 18.669 1.246 -5.199 457 HE3 MET 58 2HE MET 58 20.155 0.344 -5.486 458 H LYS 59 H LYS 59 16.984 -4.540 -7.472 459 HA LYS 59 HA LYS 59 16.956 -2.608 -9.518 460 HB2 LYS 59 2HB LYS 59 17.038 -5.615 -9.793 461 HB3 LYS 59 1HB LYS 59 17.368 -4.471 -11.094 462 HG2 LYS 59 2HG LYS 59 18.908 -4.565 -8.507 463 HG3 LYS 59 1HG LYS 59 19.429 -5.295 -10.022 464 HD2 LYS 59 2HD LYS 59 18.821 -2.773 -10.883 465 HD3 LYS 59 1HD LYS 59 19.319 -2.432 -9.224 466 HE2 LYS 59 2HE LYS 59 20.901 -4.049 -11.211 467 HE3 LYS 59 1HE LYS 59 21.226 -2.361 -10.809 468 HZ1 LYS 59 3HZ LYS 59 22.636 -3.879 -9.541 469 HZ2 LYS 59 1HZ LYS 59 21.263 -4.629 -8.887 470 HZ3 LYS 59 2HZ LYS 59 21.600 -3.006 -8.516 471 H GLU 60 H GLU 60 14.512 -5.111 -8.765 472 HA GLU 60 HA GLU 60 12.985 -4.502 -11.112 473 HB2 GLU 60 2HB GLU 60 11.326 -5.963 -10.269 474 HB3 GLU 60 1HB GLU 60 12.859 -6.654 -9.741 475 HG2 GLU 60 2HG GLU 60 12.563 -5.499 -7.548 476 HG3 GLU 60 1HG GLU 60 10.971 -4.966 -8.075 477 H LEU 61 H LEU 61 13.004 -3.344 -7.793 478 HA LEU 61 HA LEU 61 10.601 -1.845 -7.953 479 HB2 LEU 61 2HB LEU 61 13.007 -1.452 -6.177 480 HB3 LEU 61 1HB LEU 61 11.455 -0.658 -5.958 481 HG LEU 61 HG LEU 61 11.878 -3.653 -5.915 482 HD11 LEU 61 1HD1 LEU 61 11.980 -3.548 -3.601 483 HD12 LEU 61 2HD1 LEU 61 11.021 -2.069 -3.522 484 HD13 LEU 61 3HD1 LEU 61 12.724 -1.996 -3.970 485 HD21 LEU 61 3HD2 LEU 61 9.479 -1.862 -5.753 486 HD22 LEU 61 1HD2 LEU 61 9.506 -3.305 -4.757 487 HD23 LEU 61 2HD2 LEU 61 9.635 -3.461 -6.494 488 H ASP 62 H ASP 62 13.960 -1.046 -8.726 489 HA ASP 62 HA ASP 62 13.364 1.737 -8.974 490 HB2 ASP 62 2HB ASP 62 15.667 0.736 -8.661 491 HB3 ASP 62 1HB ASP 62 15.607 0.283 -10.365 492 H GLU 63 H GLU 63 11.303 1.311 -10.196 493 HA GLU 63 HA GLU 63 11.382 0.548 -12.953 494 HB2 GLU 63 2HB GLU 63 9.259 0.710 -11.686 495 HB3 GLU 63 1HB GLU 63 9.496 2.452 -11.524 496 HG2 GLU 63 2HG GLU 63 9.499 2.680 -13.974 497 HG3 GLU 63 1HG GLU 63 9.229 0.954 -14.138 498 H ASN 64 H ASN 64 11.792 3.345 -11.096 499 HA ASN 64 HA ASN 64 11.944 5.363 -12.967 500 HB2 ASN 64 2HB ASN 64 11.686 5.599 -10.573 501 HB3 ASN 64 1HB ASN 64 13.273 4.908 -10.311 502 HD21 ASN 64 1HD2 ASN 64 11.885 7.636 -12.242 503 HD22 ASN 64 2HD2 ASN 64 13.120 8.721 -11.813 504 H GLY 65 H GLY 65 14.430 3.117 -11.788 505 HA2 GLY 65 2HA GLY 65 16.353 2.396 -12.862 506 HA3 GLY 65 1HA GLY 65 15.985 3.486 -14.188 507 H ASP 66 H ASP 66 16.059 4.911 -11.034 508 HA ASP 66 HA ASP 66 18.441 6.407 -11.815 509 HB2 ASP 66 2HB ASP 66 17.897 7.825 -9.882 510 HB3 ASP 66 1HB ASP 66 16.494 7.608 -10.926 511 H GLY 67 H GLY 67 18.052 3.524 -10.334 512 HA2 GLY 67 2HA GLY 67 19.730 2.229 -9.341 513 HA3 GLY 67 1HA GLY 67 20.666 3.696 -9.065 514 H GLU 68 H GLU 68 17.691 4.468 -8.092 515 HA GLU 68 HA GLU 68 18.093 3.565 -5.299 516 HB2 GLU 68 2HB GLU 68 16.911 6.177 -6.255 517 HB3 GLU 68 1HB GLU 68 17.011 5.652 -4.586 518 HG2 GLU 68 2HG GLU 68 18.851 7.059 -4.770 519 HG3 GLU 68 1HG GLU 68 19.570 5.466 -5.049 520 H VAL 69 H VAL 69 16.114 3.467 -4.031 521 HA VAL 69 HA VAL 69 13.799 2.709 -5.693 522 HB VAL 69 HB VAL 69 14.351 2.093 -2.777 523 HG11 VAL 69 1HG1 VAL 69 12.222 1.121 -4.686 524 HG12 VAL 69 2HG1 VAL 69 11.971 2.142 -3.266 525 HG13 VAL 69 3HG1 VAL 69 12.495 0.470 -3.072 526 HG21 VAL 69 3HG2 VAL 69 14.704 -0.224 -3.616 527 HG22 VAL 69 1HG2 VAL 69 15.931 0.917 -4.159 528 HG23 VAL 69 2HG2 VAL 69 14.648 0.409 -5.261 529 H ASP 70 H ASP 70 12.049 4.041 -5.654 530 HA ASP 70 HA ASP 70 12.243 6.391 -3.889 531 HB2 ASP 70 2HB ASP 70 12.062 6.689 -6.364 532 HB3 ASP 70 1HB ASP 70 10.446 6.029 -6.270 533 H PHE 71 H PHE 71 10.281 7.320 -3.012 534 HA PHE 71 HA PHE 71 8.987 5.701 -1.198 535 HB2 PHE 71 2HB PHE 71 9.114 8.262 -1.406 536 HB3 PHE 71 1HB PHE 71 7.750 8.134 -2.501 537 HD1 PHE 71 1HD PHE 71 6.890 5.569 -0.404 538 HD2 PHE 71 2HD PHE 71 7.477 9.817 -0.242 539 HE1 PHE 71 1HE PHE 71 5.346 5.705 1.517 540 HE2 PHE 71 2HE PHE 71 5.938 9.938 1.685 541 HZ PHE 71 HZ PHE 71 4.883 7.887 2.559 542 H GLN 72 H GLN 72 7.834 6.685 -4.457 543 HA GLN 72 HA GLN 72 5.331 5.349 -4.285 544 HB2 GLN 72 2HB GLN 72 7.056 6.006 -6.692 545 HB3 GLN 72 1HB GLN 72 5.389 5.435 -6.782 546 HG2 GLN 72 2HG GLN 72 4.636 7.375 -5.494 547 HG3 GLN 72 1HG GLN 72 6.285 7.947 -5.333 548 HE21 GLN 72 1HE2 GLN 72 4.343 9.587 -6.531 549 HE22 GLN 72 2HE2 GLN 72 4.681 9.727 -8.183 550 H GLU 73 H GLU 73 8.544 4.272 -5.378 551 HA GLU 73 HA GLU 73 7.777 1.738 -6.367 552 HB2 GLU 73 2HB GLU 73 10.377 2.646 -5.119 553 HB3 GLU 73 1HB GLU 73 10.173 1.183 -6.070 554 HG2 GLU 73 2HG GLU 73 9.488 2.581 -8.018 555 HG3 GLU 73 1HG GLU 73 9.786 4.027 -7.057 556 H TYR 74 H TYR 74 8.886 2.874 -3.235 557 HA TYR 74 HA TYR 74 8.953 0.427 -1.821 558 HB2 TYR 74 2HB TYR 74 10.020 2.551 -1.104 559 HB3 TYR 74 1HB TYR 74 8.421 3.229 -0.806 560 HD1 TYR 74 1HD TYR 74 10.915 0.759 0.287 561 HD2 TYR 74 2HD TYR 74 7.074 2.505 1.086 562 HE1 TYR 74 1HE TYR 74 10.921 -0.249 2.547 563 HE2 TYR 74 2HE TYR 74 7.080 1.483 3.347 564 HH TYR 74 HH TYR 74 9.847 -0.491 4.445 565 H VAL 75 H VAL 75 6.534 2.868 -2.322 566 HA VAL 75 HA VAL 75 4.568 1.909 -0.567 567 HB VAL 75 HB VAL 75 4.786 4.101 -2.370 568 HG11 VAL 75 1HG1 VAL 75 2.512 4.134 -3.396 569 HG12 VAL 75 2HG1 VAL 75 2.385 2.423 -3.050 570 HG13 VAL 75 3HG1 VAL 75 3.625 2.996 -4.145 571 HG21 VAL 75 3HG2 VAL 75 3.940 4.450 -0.195 572 HG22 VAL 75 1HG2 VAL 75 2.665 3.243 -0.405 573 HG23 VAL 75 2HG2 VAL 75 2.581 4.772 -1.275 574 H VAL 76 H VAL 76 5.060 1.260 -4.064 575 HA VAL 76 HA VAL 76 2.836 -0.543 -4.089 576 HB VAL 76 HB VAL 76 3.616 -1.320 -6.244 577 HG11 VAL 76 1HG1 VAL 76 4.256 1.623 -6.191 578 HG12 VAL 76 2HG1 VAL 76 2.625 1.057 -5.832 579 HG13 VAL 76 3HG1 VAL 76 3.356 0.709 -7.400 580 HG21 VAL 76 3HG2 VAL 76 5.741 -0.754 -7.171 581 HG22 VAL 76 1HG2 VAL 76 6.081 -1.349 -5.546 582 HG23 VAL 76 2HG2 VAL 76 6.074 0.378 -5.872 583 H LEU 77 H LEU 77 6.305 -0.920 -3.307 584 HA LEU 77 HA LEU 77 6.346 -3.739 -3.309 585 HB2 LEU 77 2HB LEU 77 8.385 -2.437 -2.991 586 HB3 LEU 77 1HB LEU 77 7.775 -1.798 -1.476 587 HG LEU 77 HG LEU 77 7.715 -4.220 -0.622 588 HD11 LEU 77 1HD1 LEU 77 8.851 -5.935 -1.717 589 HD12 LEU 77 2HD1 LEU 77 9.745 -4.834 -2.741 590 HD13 LEU 77 3HD1 LEU 77 8.047 -5.147 -3.067 591 HD21 LEU 77 3HD2 LEU 77 9.399 -2.750 0.180 592 HD22 LEU 77 1HD2 LEU 77 10.280 -2.809 -1.346 593 HD23 LEU 77 2HD2 LEU 77 10.236 -4.226 -0.298 594 H VAL 78 H VAL 78 5.531 -1.554 -0.564 595 HA VAL 78 HA VAL 78 4.937 -3.776 1.128 596 HB VAL 78 HB VAL 78 3.869 -2.205 2.677 597 HG11 VAL 78 1HG1 VAL 78 6.558 -1.641 1.504 598 HG12 VAL 78 2HG1 VAL 78 6.126 -2.319 3.075 599 HG13 VAL 78 3HG1 VAL 78 5.935 -0.592 2.779 600 HG21 VAL 78 3HG2 VAL 78 2.863 -0.691 0.931 601 HG22 VAL 78 1HG2 VAL 78 4.472 -0.026 0.649 602 HG23 VAL 78 2HG2 VAL 78 3.707 0.157 2.220 603 H ALA 79 H ALA 79 2.950 -1.804 -1.038 604 HA ALA 79 HA ALA 79 0.470 -2.860 -0.051 605 HB1 ALA 79 1HB ALA 79 0.640 -2.020 -2.895 606 HB2 ALA 79 2HB ALA 79 1.057 -0.823 -1.679 607 HB3 ALA 79 3HB ALA 79 -0.524 -1.583 -1.643 608 H ALA 80 H ALA 80 2.477 -3.741 -2.853 609 HA ALA 80 HA ALA 80 0.825 -5.842 -3.762 610 HB1 ALA 80 1HB ALA 80 2.962 -6.631 -4.890 611 HB2 ALA 80 2HB ALA 80 3.773 -5.271 -4.111 612 HB3 ALA 80 3HB ALA 80 2.465 -4.978 -5.261 613 H LEU 81 H LEU 81 3.527 -5.686 -1.452 614 HA LEU 81 HA LEU 81 3.582 -8.501 -1.003 615 HB2 LEU 81 2HB LEU 81 4.739 -6.142 0.404 616 HB3 LEU 81 1HB LEU 81 4.590 -7.648 1.305 617 HG LEU 81 HG LEU 81 5.795 -8.830 -0.543 618 HD11 LEU 81 1HD1 LEU 81 6.626 -6.146 -1.589 619 HD12 LEU 81 2HD1 LEU 81 5.207 -6.950 -2.244 620 HD13 LEU 81 3HD1 LEU 81 6.783 -7.721 -2.347 621 HD21 LEU 81 3HD2 LEU 81 8.039 -7.783 -0.054 622 HD22 LEU 81 1HD2 LEU 81 7.079 -8.152 1.378 623 HD23 LEU 81 2HD2 LEU 81 7.183 -6.492 0.789 624 H THR 82 H THR 82 1.657 -5.848 0.349 625 HA THR 82 HA THR 82 0.584 -7.308 2.532 626 HB THR 82 HB THR 82 -0.770 -5.133 0.921 627 HG1 THR 82 1HG THR 82 0.641 -4.697 3.295 628 HG21 THR 82 3HG2 THR 82 -2.443 -5.678 2.369 629 HG22 THR 82 1HG2 THR 82 -1.465 -4.790 3.537 630 HG23 THR 82 2HG2 THR 82 -1.358 -6.546 3.457 631 H VAL 83 H VAL 83 -0.736 -6.778 -0.766 632 HA VAL 83 HA VAL 83 -2.985 -8.483 -0.308 633 HB VAL 83 HB VAL 83 -2.983 -6.885 -2.189 634 HG11 VAL 83 1HG1 VAL 83 -0.570 -7.401 -2.870 635 HG12 VAL 83 2HG1 VAL 83 -1.718 -7.218 -4.165 636 HG13 VAL 83 3HG1 VAL 83 -1.204 -8.828 -3.670 637 HG21 VAL 83 3HG2 VAL 83 -4.316 -8.232 -3.532 638 HG22 VAL 83 1HG2 VAL 83 -4.251 -9.205 -2.064 639 HG23 VAL 83 2HG2 VAL 83 -3.211 -9.607 -3.434 640 H ALA 84 H ALA 84 0.270 -9.117 -1.527 641 HA ALA 84 HA ALA 84 -0.191 -11.824 -2.250 642 HB1 ALA 84 1HB ALA 84 2.425 -10.662 -1.297 643 HB2 ALA 84 2HB ALA 84 1.782 -10.375 -2.914 644 HB3 ALA 84 3HB ALA 84 2.174 -12.016 -2.400 645 H CYS 85 H CHC 85 0.500 -10.175 0.735 646 HA CYS 85 HA CHC 85 1.269 -12.438 2.265 647 HB2 CYS 85 2HB CHC 85 1.669 -10.045 2.925 648 HB3 CYS 85 1HB CHC 85 -0.057 -9.904 3.257 649 H ASN 86 H ASN 86 -1.831 -10.630 2.046 650 HA ASN 86 HA ASN 86 -3.282 -12.427 3.659 651 HB2 ASN 86 2HB ASN 86 -4.146 -10.223 2.816 652 HB3 ASN 86 1HB ASN 86 -4.368 -10.975 1.236 653 HD21 ASN 86 1HD2 ASN 86 -5.328 -11.396 4.684 654 HD22 ASN 86 2HD2 ASN 86 -6.827 -12.107 4.328 655 H ASN 87 H ASN 87 -2.526 -12.452 0.194 656 HA ASN 87 HA ASN 87 -4.021 -14.740 -0.531 657 HB2 ASN 87 2HB ASN 87 -1.385 -13.729 -1.625 658 HB3 ASN 87 1HB ASN 87 -2.423 -14.913 -2.412 659 HD21 ASN 87 1HD2 ASN 87 -4.972 -13.754 -1.946 660 HD22 ASN 87 2HD2 ASN 87 -5.054 -12.267 -2.761 661 H PHE 88 H PHE 88 -0.808 -14.360 0.881 662 HA PHE 88 HA PHE 88 -0.021 -17.062 0.659 663 HB2 PHE 88 2HB PHE 88 1.525 -15.190 1.190 664 HB3 PHE 88 1HB PHE 88 0.783 -15.065 2.785 665 HD1 PHE 88 1HD PHE 88 2.779 -17.241 0.546 666 HD2 PHE 88 2HD PHE 88 1.234 -16.678 4.515 667 HE1 PHE 88 1HE PHE 88 4.247 -19.058 1.377 668 HE2 PHE 88 2HE PHE 88 2.703 -18.496 5.344 669 HZ PHE 88 HZ PHE 88 4.210 -19.687 3.775 670 H PHE 89 H PHE 89 -1.603 -15.280 3.308 671 HA PHE 89 HA PHE 89 -1.710 -17.433 5.117 672 HB2 PHE 89 2HB PHE 89 -2.071 -15.064 5.729 673 HB3 PHE 89 1HB PHE 89 -3.626 -15.107 4.899 674 HD1 PHE 89 2HD PHE 89 -1.684 -16.469 7.746 675 HD2 PHE 89 1HD PHE 89 -5.533 -16.224 5.855 676 HE1 PHE 89 2HE PHE 89 -2.739 -17.438 9.770 677 HE2 PHE 89 1HE PHE 89 -6.589 -17.192 7.880 678 HZ PHE 89 HZ PHE 89 -5.191 -17.799 9.837 679 H TRP 90 H TRP 90 -4.237 -16.258 2.846 680 HA TRP 90 HA TRP 90 -6.070 -18.345 3.553 681 HB2 TRP 90 2HB TRP 90 -6.954 -16.299 2.702 682 HB3 TRP 90 1HB TRP 90 -5.993 -16.449 1.228 683 HD1 TRP 90 HD TRP 90 -6.468 -18.631 -0.238 684 HE1 TRP 90 1HE TRP 90 -8.672 -19.809 -0.819 685 HE3 TRP 90 3HE TRP 90 -9.353 -16.836 3.536 686 HZ2 TRP 90 2HZ TRP 90 -11.355 -19.956 0.221 687 HZ3 TRP 90 3HZ TRP 90 -11.732 -17.506 3.730 688 HH2 TRP 90 HH TRP 90 -12.735 -19.062 2.080 689 H GLU 91 H GLU 91 -4.071 -17.802 0.726 690 HA GLU 91 HA GLU 91 -4.822 -20.160 -0.577 691 HB2 GLU 91 2HB GLU 91 -3.678 -18.025 -1.448 692 HB3 GLU 91 1HB GLU 91 -2.172 -18.821 -1.003 693 HG2 GLU 91 2HG GLU 91 -4.293 -20.136 -2.732 694 HG3 GLU 91 1HG GLU 91 -2.946 -19.210 -3.401 695 H ASN 92 H ASN 92 -2.300 -19.569 1.808 696 HA ASN 92 HA ASN 92 -1.349 -22.342 1.473 697 HB2 ASN 92 2HB ASN 92 0.283 -20.387 1.600 698 HB3 ASN 92 1HB ASN 92 -0.176 -20.245 3.297 699 HD21 ASN 92 1HD2 ASN 92 2.419 -20.835 3.084 700 HD22 ASN 92 2HD2 ASN 92 2.735 -22.483 3.340 701 H SER 93 H SER 93 -2.181 -23.861 2.737 702 HA SER 93 HA SER 93 -2.953 -24.931 4.629 703 HB2 SER 93 2HB SER 93 -2.755 -22.421 6.246 704 HB3 SER 93 1HB SER 93 -2.459 -24.088 6.730 705 HG SER 93 HG SER 93 -0.632 -23.966 5.209 706 H1 GLY 1 H GLY 1 8.441 -3.500 16.372 707 HA2 GLY 1 2HA GLY 1 9.395 -1.471 15.101 708 HA3 GLY 1 1HA GLY 1 10.762 -2.542 14.811 709 H SER 2 H SER 2 8.029 -4.389 14.943 710 HA SER 2 HA SER 2 7.985 -4.809 12.069 711 HB2 SER 2 2HB SER 2 6.741 -6.766 12.536 712 HB3 SER 2 1HB SER 2 7.900 -6.643 13.856 713 HG SER 2 HG SER 2 5.296 -6.786 14.035 714 H GLU 3 H GLU 3 6.736 -2.437 13.705 715 HA GLU 3 HA GLU 3 4.002 -2.392 13.563 716 HB2 GLU 3 2HB GLU 3 5.493 -0.620 14.518 717 HB3 GLU 3 1HB GLU 3 5.748 -0.047 12.867 718 HG2 GLU 3 2HG GLU 3 3.276 0.189 12.630 719 HG3 GLU 3 1HG GLU 3 3.101 -0.242 14.320 720 H LEU 4 H LEU 4 6.254 -1.976 10.885 721 HA LEU 4 HA LEU 4 4.517 -0.894 8.977 722 HB2 LEU 4 2HB LEU 4 7.035 -1.479 8.800 723 HB3 LEU 4 1HB LEU 4 6.497 -3.100 8.377 724 HG LEU 4 HG LEU 4 5.489 -0.638 6.933 725 HD11 LEU 4 1HD1 LEU 4 7.180 -0.890 5.255 726 HD12 LEU 4 2HD1 LEU 4 7.838 -2.324 6.035 727 HD13 LEU 4 3HD1 LEU 4 7.991 -0.748 6.812 728 HD21 LEU 4 3HD2 LEU 4 4.262 -2.083 5.775 729 HD22 LEU 4 1HD2 LEU 4 4.912 -3.441 6.684 730 HD23 LEU 4 2HD2 LEU 4 5.715 -2.905 5.219 731 H GLU 5 H GLU 5 5.028 -4.235 10.079 732 HA GLU 5 HA GLU 5 3.183 -5.439 8.296 733 HB2 GLU 5 2HB GLU 5 4.263 -6.351 10.965 734 HB3 GLU 5 1HB GLU 5 3.149 -7.318 10.002 735 HG2 GLU 5 2HG GLU 5 5.829 -6.288 9.030 736 HG3 GLU 5 1HG GLU 5 5.523 -7.934 9.582 737 H THR 6 H THR 6 2.829 -3.923 11.468 738 HA THR 6 HA THR 6 0.208 -4.810 11.990 739 HB THR 6 HB THR 6 1.368 -2.088 12.651 740 HG1 THR 6 1HG THR 6 2.575 -4.047 13.300 741 HG21 THR 6 3HG2 THR 6 -0.218 -2.196 14.538 742 HG22 THR 6 1HG2 THR 6 -0.808 -3.752 13.950 743 HG23 THR 6 2HG2 THR 6 -1.061 -2.293 12.992 744 H ALA 7 H ALA 7 1.503 -2.099 10.119 745 HA ALA 7 HA ALA 7 -1.021 -0.975 9.401 746 HB1 ALA 7 1HB ALA 7 0.160 0.361 7.900 747 HB2 ALA 7 2HB ALA 7 1.352 -0.894 7.567 748 HB3 ALA 7 3HB ALA 7 1.387 -0.031 9.097 749 H MET 8 H MET 8 1.088 -3.357 7.811 750 HA MET 8 HA MET 8 -0.440 -3.705 5.453 751 HB2 MET 8 2HB MET 8 1.329 -5.616 7.010 752 HB3 MET 8 1HB MET 8 0.703 -5.956 5.400 753 HG2 MET 8 2HG MET 8 1.824 -3.957 4.513 754 HG3 MET 8 1HG MET 8 2.433 -3.559 6.108 755 HE1 MET 8 3HE MET 8 3.762 -6.894 3.287 756 HE2 MET 8 1HE MET 8 2.478 -5.698 3.074 757 HE3 MET 8 2HE MET 8 2.227 -7.090 4.126 758 H GLU 9 H GLU 9 -0.621 -5.238 8.635 759 HA GLU 9 HA GLU 9 -2.695 -7.064 8.001 760 HB2 GLU 9 2HB GLU 9 -1.843 -5.863 10.644 761 HB3 GLU 9 1HB GLU 9 -3.053 -7.136 10.481 762 HG2 GLU 9 2HG GLU 9 -1.377 -8.564 9.344 763 HG3 GLU 9 1HG GLU 9 -0.166 -7.309 9.570 764 H THR 10 H THR 10 -2.619 -3.692 9.089 765 HA THR 10 HA THR 10 -5.387 -3.491 9.644 766 HB THR 10 HB THR 10 -3.591 -1.323 8.555 767 HG1 THR 10 1HG THR 10 -3.583 -0.863 10.928 768 HG21 THR 10 3HG2 THR 10 -5.992 -0.817 8.455 769 HG22 THR 10 1HG2 THR 10 -5.207 0.148 9.696 770 HG23 THR 10 2HG2 THR 10 -6.162 -1.256 10.155 771 H LEU 11 H LEU 11 -3.516 -2.959 6.637 772 HA LEU 11 HA LEU 11 -5.726 -2.086 5.096 773 HB2 LEU 11 2HB LEU 11 -3.383 -3.728 4.100 774 HB3 LEU 11 1HB LEU 11 -4.413 -2.679 3.136 775 HG LEU 11 HG LEU 11 -2.464 -1.833 5.295 776 HD11 LEU 11 1HD1 LEU 11 -1.489 -2.402 3.097 777 HD12 LEU 11 2HD1 LEU 11 -1.341 -0.680 3.450 778 HD13 LEU 11 3HD1 LEU 11 -2.578 -1.248 2.328 779 HD21 LEU 11 3HD2 LEU 11 -4.191 -0.259 5.560 780 HD22 LEU 11 1HD2 LEU 11 -4.615 -0.295 3.846 781 HD23 LEU 11 2HD2 LEU 11 -3.141 0.509 4.375 782 H ILE 12 H ILE 12 -4.373 -5.278 5.782 783 HA ILE 12 HA ILE 12 -6.164 -6.743 4.141 784 HB ILE 12 HB ILE 12 -4.751 -7.569 6.684 785 HG12 ILE 12 2HG1 ILE 12 -4.075 -8.165 3.792 786 HG13 ILE 12 1HG1 ILE 12 -3.337 -6.854 4.692 787 HG21 ILE 12 1HG2 ILE 12 -5.140 -9.888 5.755 788 HG22 ILE 12 2HG2 ILE 12 -6.254 -9.163 4.595 789 HG23 ILE 12 3HG2 ILE 12 -6.596 -9.070 6.323 790 HD11 ILE 12 3HD1 ILE 12 -2.108 -9.149 4.598 791 HD12 ILE 12 1HD1 ILE 12 -3.319 -9.666 5.773 792 HD13 ILE 12 2HD1 ILE 12 -2.231 -8.332 6.157 793 H ASN 13 H ASN 13 -6.377 -5.807 7.556 794 HA ASN 13 HA ASN 13 -8.777 -7.136 8.137 795 HB2 ASN 13 2HB ASN 13 -7.548 -4.670 9.360 796 HB3 ASN 13 1HB ASN 13 -8.920 -5.538 10.045 797 HD21 ASN 13 1HD2 ASN 13 -6.447 -5.329 11.472 798 HD22 ASN 13 2HD2 ASN 13 -5.750 -6.874 11.558 799 H VAL 14 H VAL 14 -8.279 -3.789 6.931 800 HA VAL 14 HA VAL 14 -11.091 -3.236 7.142 801 HB VAL 14 HB VAL 14 -10.669 -1.124 6.038 802 HG11 VAL 14 1HG1 VAL 14 -8.290 -1.686 7.831 803 HG12 VAL 14 2HG1 VAL 14 -9.930 -1.488 8.442 804 HG13 VAL 14 3HG1 VAL 14 -9.130 -0.149 7.618 805 HG21 VAL 14 3HG2 VAL 14 -8.264 -0.590 5.324 806 HG22 VAL 14 1HG2 VAL 14 -9.189 -1.623 4.236 807 HG23 VAL 14 2HG2 VAL 14 -7.984 -2.320 5.313 808 H PHE 15 H PHE 15 -8.957 -4.236 4.438 809 HA PHE 15 HA PHE 15 -10.959 -4.098 2.431 810 HB2 PHE 15 2HB PHE 15 -8.586 -4.412 1.868 811 HB3 PHE 15 1HB PHE 15 -8.615 -6.008 2.628 812 HD1 PHE 15 1HD PHE 15 -10.253 -3.967 -0.043 813 HD2 PHE 15 2HD PHE 15 -9.379 -7.894 1.457 814 HE1 PHE 15 1HE PHE 15 -11.196 -4.973 -2.097 815 HE2 PHE 15 2HE PHE 15 -10.313 -8.895 -0.609 816 HZ PHE 15 HZ PHE 15 -11.223 -7.431 -2.390 817 H HIS 16 H HIS 16 -9.897 -6.664 4.595 818 HA HIS 16 HA HIS 16 -11.749 -8.611 3.741 819 HB2 HIS 16 2HB HIS 16 -9.751 -9.144 5.112 820 HB3 HIS 16 1HB HIS 16 -10.471 -8.275 6.466 821 HD1 HIS 16 1HD HIS 16 -11.490 -11.112 4.111 822 HD2 HIS 16 2HD HIS 16 -11.939 -9.941 8.086 823 HE1 HIS 16 1HE HIS 16 -12.787 -12.958 5.262 824 HE2 HIS 16 2HE HIS 16 -13.070 -12.259 7.685 825 H ALA 17 H ALA 17 -11.912 -6.000 6.069 826 HA ALA 17 HA ALA 17 -14.260 -6.768 7.358 827 HB1 ALA 17 1HB ALA 17 -14.495 -4.482 7.995 828 HB2 ALA 17 2HB ALA 17 -13.631 -3.911 6.559 829 HB3 ALA 17 3HB ALA 17 -12.758 -4.741 7.856 830 H HIS 18 H HIS 18 -13.833 -4.704 4.449 831 HA HIS 18 HA HIS 18 -16.736 -4.762 4.090 832 HB2 HIS 18 2HB HIS 18 -14.492 -3.464 2.623 833 HB3 HIS 18 1HB HIS 18 -16.085 -3.564 1.876 834 HD1 HIS 18 1HD HIS 18 -14.645 -2.567 5.281 835 HD2 HIS 18 2HD HIS 18 -17.756 -1.537 2.710 836 HE1 HIS 18 1HE HIS 18 -15.883 -0.655 6.387 837 HE2 HIS 18 2HE HIS 18 -17.785 -0.015 4.831 838 H SER 19 H SER 19 -14.051 -6.125 2.074 839 HA SER 19 HA SER 19 -15.766 -7.269 0.182 840 HB2 SER 19 2HB SER 19 -13.284 -7.117 -0.058 841 HB3 SER 19 1HB SER 19 -13.134 -8.439 1.087 842 HG SER 19 HG SER 19 -13.134 -9.335 -0.969 843 H GLY 20 H GLY 20 -14.581 -8.482 3.294 844 HA2 GLY 20 2HA GLY 20 -15.850 -11.065 3.138 845 HA3 GLY 20 1HA GLY 20 -15.110 -10.348 4.552 846 H LYS 21 H LYS 21 -16.641 -8.016 4.829 847 HA LYS 21 HA LYS 21 -18.896 -8.976 6.212 848 HB2 LYS 21 2HB LYS 21 -17.929 -6.809 6.671 849 HB3 LYS 21 1HB LYS 21 -18.393 -6.218 5.075 850 HG2 LYS 21 2HG LYS 21 -20.773 -6.569 5.705 851 HG3 LYS 21 1HG LYS 21 -20.245 -7.109 7.302 852 HD2 LYS 21 2HD LYS 21 -20.794 -4.754 7.448 853 HD3 LYS 21 1HD LYS 21 -19.051 -4.917 7.579 854 HE2 LYS 21 2HE LYS 21 -20.079 -4.602 4.811 855 HE3 LYS 21 1HE LYS 21 -20.293 -3.197 5.860 856 HZ1 LYS 21 3HZ LYS 21 -18.131 -3.328 4.618 857 HZ2 LYS 21 1HZ LYS 21 -17.713 -4.631 5.620 858 HZ3 LYS 21 2HZ LYS 21 -18.000 -3.100 6.296 859 H GLU 22 H GLU 22 -18.688 -7.559 2.948 860 HA GLU 22 HA GLU 22 -21.332 -8.764 2.397 861 HB2 GLU 22 2HB GLU 22 -21.566 -6.314 2.800 862 HB3 GLU 22 1HB GLU 22 -20.460 -6.026 1.457 863 HG2 GLU 22 2HG GLU 22 -22.003 -7.280 -0.042 864 HG3 GLU 22 1HG GLU 22 -23.127 -7.461 1.305 865 H GLY 23 H GLY 23 -21.475 -9.806 0.449 866 HA2 GLY 23 2HA GLY 23 -20.884 -10.511 -1.679 867 HA3 GLY 23 1HA GLY 23 -19.718 -9.192 -1.741 868 H ASP 24 H ASP 24 -18.377 -10.869 -2.813 869 HA ASP 24 HA ASP 24 -17.386 -13.086 -1.301 870 HB2 ASP 24 2HB ASP 24 -16.305 -11.702 -3.760 871 HB3 ASP 24 1HB ASP 24 -15.627 -13.175 -3.078 872 H LYS 25 H LYS 25 -15.526 -13.278 -0.145 873 HA LYS 25 HA LYS 25 -14.585 -11.115 1.377 874 HB2 LYS 25 2HB LYS 25 -13.083 -13.636 0.725 875 HB3 LYS 25 1HB LYS 25 -12.872 -12.621 2.143 876 HG2 LYS 25 2HG LYS 25 -15.180 -13.199 2.889 877 HG3 LYS 25 1HG LYS 25 -15.364 -14.253 1.479 878 HD2 LYS 25 2HD LYS 25 -13.157 -15.358 2.286 879 HD3 LYS 25 1HD LYS 25 -13.495 -14.560 3.823 880 HE2 LYS 25 2HE LYS 25 -15.299 -16.460 2.338 881 HE3 LYS 25 1HE LYS 25 -14.448 -16.794 3.847 882 HZ1 LYS 25 3HZ LYS 25 -16.965 -15.694 3.572 883 HZ2 LYS 25 1HZ LYS 25 -15.970 -14.411 4.061 884 HZ3 LYS 25 2HZ LYS 25 -16.059 -15.821 5.003 885 H TYR 26 H TYR 26 -13.483 -12.561 -1.564 886 HA TYR 26 HA TYR 26 -11.092 -10.872 -1.612 887 HB2 TYR 26 2HB TYR 26 -11.925 -13.305 -3.197 888 HB3 TYR 26 1HB TYR 26 -10.406 -12.433 -3.427 889 HD1 TYR 26 2HD TYR 26 -8.690 -12.400 -1.707 890 HD2 TYR 26 1HD TYR 26 -12.321 -14.670 -1.130 891 HE1 TYR 26 2HE TYR 26 -7.647 -13.604 0.187 892 HE2 TYR 26 1HE TYR 26 -11.252 -15.865 0.752 893 HH TYR 26 HH TYR 26 -8.422 -14.818 2.235 894 H LYS 27 H LYS 27 -14.062 -10.085 -2.440 895 HA LYS 27 HA LYS 27 -13.084 -8.713 -4.870 896 HB2 LYS 27 2HB LYS 27 -14.486 -10.828 -5.491 897 HB3 LYS 27 1HB LYS 27 -15.854 -9.868 -4.945 898 HG2 LYS 27 2HG LYS 27 -15.671 -9.466 -7.286 899 HG3 LYS 27 1HG LYS 27 -15.030 -8.033 -6.483 900 HD2 LYS 27 2HD LYS 27 -13.008 -8.315 -7.478 901 HD3 LYS 27 1HD LYS 27 -12.877 -9.948 -6.831 902 HE2 LYS 27 2HE LYS 27 -14.120 -10.849 -8.716 903 HE3 LYS 27 1HE LYS 27 -14.413 -9.231 -9.343 904 HZ1 LYS 27 3HZ LYS 27 -11.963 -8.958 -9.471 905 HZ2 LYS 27 1HZ LYS 27 -12.575 -10.154 -10.508 906 HZ3 LYS 27 2HZ LYS 27 -11.798 -10.600 -9.065 907 H LEU 28 H LEU 28 -13.809 -6.644 -5.050 908 HA LEU 28 HA LEU 28 -15.658 -5.764 -2.916 909 HB2 LEU 28 2HB LEU 28 -13.160 -5.055 -3.053 910 HB3 LEU 28 1HB LEU 28 -13.676 -4.058 -4.369 911 HG LEU 28 HG LEU 28 -15.237 -2.832 -2.943 912 HD11 LEU 28 1HD1 LEU 28 -16.000 -4.139 -1.168 913 HD12 LEU 28 2HD1 LEU 28 -14.726 -3.251 -0.346 914 HD13 LEU 28 3HD1 LEU 28 -14.424 -4.892 -0.899 915 HD21 LEU 28 3HD2 LEU 28 -12.421 -3.062 -1.803 916 HD22 LEU 28 1HD2 LEU 28 -13.513 -1.723 -1.490 917 HD23 LEU 28 2HD2 LEU 28 -12.913 -2.011 -3.127 918 H SER 29 H SER 29 -17.550 -4.867 -3.551 919 HA SER 29 HA SER 29 -17.972 -4.360 -6.418 920 HB2 SER 29 2HB SER 29 -19.484 -5.973 -5.275 921 HB3 SER 29 1HB SER 29 -20.023 -4.672 -4.224 922 HG SER 29 HG SER 29 -20.591 -3.537 -6.195 923 H LYS 30 H LYS 30 -19.308 -2.488 -7.037 924 HA LYS 30 HA LYS 30 -18.299 -0.067 -6.189 925 HB2 LYS 30 2HB LYS 30 -19.695 -0.410 -8.217 926 HB3 LYS 30 1HB LYS 30 -21.107 -0.540 -7.168 927 HG2 LYS 30 2HG LYS 30 -20.567 1.760 -6.269 928 HG3 LYS 30 1HG LYS 30 -19.289 1.865 -7.477 929 HD2 LYS 30 2HD LYS 30 -21.261 2.932 -8.371 930 HD3 LYS 30 1HD LYS 30 -21.012 1.423 -9.248 931 HE2 LYS 30 2HE LYS 30 -22.873 0.427 -8.326 932 HE3 LYS 30 1HE LYS 30 -22.703 1.270 -6.781 933 HZ1 LYS 30 3HZ LYS 30 -24.407 2.475 -7.559 934 HZ2 LYS 30 1HZ LYS 30 -24.128 2.055 -9.179 935 HZ3 LYS 30 2HZ LYS 30 -23.220 3.296 -8.456 936 H LYS 31 H LYS 31 -21.317 -1.616 -5.191 937 HA LYS 31 HA LYS 31 -22.191 0.422 -3.497 938 HB2 LYS 31 2HB LYS 31 -23.680 -1.255 -2.576 939 HB3 LYS 31 1HB LYS 31 -23.539 -1.516 -4.316 940 HG2 LYS 31 2HG LYS 31 -21.730 -3.213 -3.836 941 HG3 LYS 31 1HG LYS 31 -22.115 -3.019 -2.126 942 HD2 LYS 31 2HD LYS 31 -24.428 -3.577 -2.611 943 HD3 LYS 31 1HD LYS 31 -23.996 -3.976 -4.265 944 HE2 LYS 31 2HE LYS 31 -22.539 -5.242 -1.951 945 HE3 LYS 31 1HE LYS 31 -24.093 -5.888 -2.474 946 HZ1 LYS 31 3HZ LYS 31 -21.539 -6.150 -3.691 947 HZ2 LYS 31 1HZ LYS 31 -22.657 -5.484 -4.779 948 HZ3 LYS 31 2HZ LYS 31 -22.984 -6.975 -4.034 949 H GLU 32 H GLU 32 -20.352 -2.547 -2.802 950 HA GLU 32 HA GLU 32 -20.060 -2.133 -0.029 951 HB2 GLU 32 2HB GLU 32 -18.167 -3.532 -1.934 952 HB3 GLU 32 1HB GLU 32 -18.143 -3.691 -0.182 953 HG2 GLU 32 2HG GLU 32 -20.482 -4.551 -0.268 954 HG3 GLU 32 1HG GLU 32 -20.407 -4.477 -2.019 955 H LEU 33 H LEU 33 -17.737 -1.257 -2.688 956 HA LEU 33 HA LEU 33 -15.886 -0.161 -0.860 957 HB2 LEU 33 2HB LEU 33 -14.910 1.114 -2.769 958 HB3 LEU 33 1HB LEU 33 -14.987 -0.610 -2.962 959 HG LEU 33 HG LEU 33 -17.361 0.092 -4.113 960 HD11 LEU 33 1HD1 LEU 33 -15.354 2.214 -4.976 961 HD12 LEU 33 2HD1 LEU 33 -16.699 2.540 -3.877 962 HD13 LEU 33 3HD1 LEU 33 -17.014 2.036 -5.531 963 HD21 LEU 33 3HD2 LEU 33 -16.002 -1.441 -5.273 964 HD22 LEU 33 1HD2 LEU 33 -14.574 -0.416 -5.153 965 HD23 LEU 33 2HD2 LEU 33 -15.839 -0.012 -6.302 966 H LYS 34 H LYS 34 -18.718 1.203 -2.417 967 HA LYS 34 HA LYS 34 -18.161 3.873 -1.806 968 HB2 LYS 34 2HB LYS 34 -20.172 3.111 -3.086 969 HB3 LYS 34 1HB LYS 34 -20.850 2.482 -1.587 970 HG2 LYS 34 2HG LYS 34 -21.842 4.618 -1.832 971 HG3 LYS 34 1HG LYS 34 -20.554 4.867 -0.654 972 HD2 LYS 34 2HD LYS 34 -19.087 5.768 -2.385 973 HD3 LYS 34 1HD LYS 34 -20.275 5.389 -3.623 974 HE2 LYS 34 2HE LYS 34 -20.094 7.732 -1.923 975 HE3 LYS 34 1HE LYS 34 -21.135 7.459 -3.318 976 HZ1 LYS 34 3HZ LYS 34 -22.318 7.848 -1.176 977 HZ2 LYS 34 1HZ LYS 34 -21.702 6.370 -0.618 978 HZ3 LYS 34 2HZ LYS 34 -22.743 6.402 -1.960 979 H GLU 35 H GLU 35 -19.267 1.150 0.188 980 HA GLU 35 HA GLU 35 -19.695 2.800 2.517 981 HB2 GLU 35 2HB GLU 35 -19.486 -0.188 2.162 982 HB3 GLU 35 1HB GLU 35 -19.877 0.603 3.688 983 HG2 GLU 35 2HG GLU 35 -21.814 1.706 2.590 984 HG3 GLU 35 1HG GLU 35 -21.440 0.840 1.101 985 H LEU 36 H LEU 36 -17.039 0.664 1.406 986 HA LEU 36 HA LEU 36 -15.573 0.774 3.830 987 HB2 LEU 36 2HB LEU 36 -15.292 -0.807 1.799 988 HB3 LEU 36 1HB LEU 36 -14.286 0.468 1.124 989 HG LEU 36 HG LEU 36 -13.818 -0.983 3.768 990 HD11 LEU 36 1HD1 LEU 36 -13.261 -1.904 1.266 991 HD12 LEU 36 2HD1 LEU 36 -12.297 -2.282 2.694 992 HD13 LEU 36 3HD1 LEU 36 -11.795 -0.999 1.608 993 HD21 LEU 36 3HD2 LEU 36 -12.909 1.114 4.200 994 HD22 LEU 36 1HD2 LEU 36 -12.485 1.410 2.517 995 HD23 LEU 36 2HD2 LEU 36 -11.539 0.285 3.480 996 H LEU 37 H LEU 37 -15.212 2.768 0.834 997 HA LEU 37 HA LEU 37 -13.024 4.220 1.908 998 HB2 LEU 37 2HB LEU 37 -14.964 4.929 -0.294 999 HB3 LEU 37 1HB LEU 37 -13.636 5.982 0.180 1000 HG LEU 37 HG LEU 37 -13.224 4.360 -1.786 1001 HD11 LEU 37 1HD1 LEU 37 -11.255 4.082 0.499 1002 HD12 LEU 37 2HD1 LEU 37 -11.466 5.586 -0.400 1003 HD13 LEU 37 3HD1 LEU 37 -10.915 4.136 -1.232 1004 HD21 LEU 37 3HD2 LEU 37 -14.249 2.417 -0.570 1005 HD22 LEU 37 1HD2 LEU 37 -12.838 2.402 0.475 1006 HD23 LEU 37 2HD2 LEU 37 -12.661 2.094 -1.249 1007 H GLN 38 H GLN 38 -16.520 4.831 1.946 1008 HA GLN 38 HA GLN 38 -16.342 7.374 3.173 1009 HB2 GLN 38 2HB GLN 38 -18.569 5.334 3.174 1010 HB3 GLN 38 1HB GLN 38 -18.724 6.969 3.819 1011 HG2 GLN 38 2HG GLN 38 -18.159 7.916 1.633 1012 HG3 GLN 38 1HG GLN 38 -17.922 6.303 0.966 1013 HE21 GLN 38 1HE2 GLN 38 -19.870 8.076 -0.142 1014 HE22 GLN 38 2HE2 GLN 38 -21.413 7.449 0.183 1015 H THR 39 H THR 39 -16.565 4.098 4.551 1016 HA THR 39 HA THR 39 -16.855 5.027 7.240 1017 HB THR 39 HB THR 39 -16.388 2.713 7.881 1018 HG1 THR 39 1HG THR 39 -14.989 2.742 5.663 1019 HG21 THR 39 3HG2 THR 39 -18.026 1.722 5.920 1020 HG22 THR 39 1HG2 THR 39 -18.345 3.451 5.792 1021 HG23 THR 39 2HG2 THR 39 -18.592 2.620 7.327 1022 H GLU 40 H GLU 40 -14.066 4.075 5.271 1023 HA GLU 40 HA GLU 40 -12.268 4.568 7.515 1024 HB2 GLU 40 2HB GLU 40 -11.779 3.590 4.702 1025 HB3 GLU 40 1HB GLU 40 -10.506 3.868 5.888 1026 HG2 GLU 40 2HG GLU 40 -12.858 2.010 6.321 1027 HG3 GLU 40 1HG GLU 40 -11.249 1.488 5.827 1028 H LEU 41 H LEU 41 -12.766 5.832 4.220 1029 HA LEU 41 HA LEU 41 -11.176 8.197 4.992 1030 HB2 LEU 41 2HB LEU 41 -11.959 7.330 2.203 1031 HB3 LEU 41 1HB LEU 41 -10.830 8.601 2.636 1032 HG LEU 41 HG LEU 41 -10.477 5.619 3.030 1033 HD11 LEU 41 1HD1 LEU 41 -8.944 5.720 1.318 1034 HD12 LEU 41 2HD1 LEU 41 -8.468 7.376 1.691 1035 HD13 LEU 41 3HD1 LEU 41 -9.964 7.067 0.819 1036 HD21 LEU 41 3HD2 LEU 41 -8.977 7.944 4.211 1037 HD22 LEU 41 1HD2 LEU 41 -8.122 6.456 3.818 1038 HD23 LEU 41 2HD2 LEU 41 -9.449 6.420 4.974 1039 H SER 42 H SER 42 -11.947 10.239 4.799 1040 HA SER 42 HA SER 42 -14.830 10.473 4.153 1041 HB2 SER 42 2HB SER 42 -14.062 10.897 6.571 1042 HB3 SER 42 1HB SER 42 -13.296 12.354 5.943 1043 HG SER 42 HG SER 42 -15.445 12.724 6.667 1044 H GLY 43 H GLY 43 -12.017 12.631 4.484 1045 HA2 GLY 43 2HA GLY 43 -12.873 14.557 2.659 1046 HA3 GLY 43 1HA GLY 43 -11.211 14.313 3.164 1047 H PHE 44 H PHE 44 -10.879 11.643 2.031 1048 HA PHE 44 HA PHE 44 -10.045 12.384 -0.548 1049 HB2 PHE 44 2HB PHE 44 -10.525 9.660 0.659 1050 HB3 PHE 44 1HB PHE 44 -9.795 9.903 -0.925 1051 HD1 PHE 44 1HD PHE 44 -7.591 10.957 -1.161 1052 HD2 PHE 44 2HD PHE 44 -9.314 10.262 2.720 1053 HE1 PHE 44 1HE PHE 44 -5.388 11.364 -0.103 1054 HE2 PHE 44 2HE PHE 44 -7.110 10.665 3.767 1055 HZ PHE 44 HZ PHE 44 -5.147 11.215 2.359 1056 H LEU 45 H LEU 45 -12.850 10.310 0.329 1057 HA LEU 45 HA LEU 45 -13.806 10.320 -2.394 1058 HB2 LEU 45 2HB LEU 45 -14.628 9.049 0.141 1059 HB3 LEU 45 1HB LEU 45 -15.974 9.504 -0.896 1060 HG LEU 45 HG LEU 45 -15.035 7.161 -1.280 1061 HD11 LEU 45 1HD1 LEU 45 -16.278 7.638 -3.111 1062 HD12 LEU 45 2HD1 LEU 45 -14.751 7.969 -3.926 1063 HD13 LEU 45 3HD1 LEU 45 -15.678 9.295 -3.212 1064 HD21 LEU 45 3HD2 LEU 45 -12.572 8.459 -1.300 1065 HD22 LEU 45 1HD2 LEU 45 -12.884 8.191 -3.019 1066 HD23 LEU 45 2HD2 LEU 45 -12.878 6.832 -1.899 1067 H ASP 46 H ASP 46 -14.603 12.043 0.541 1068 HA ASP 46 HA ASP 46 -16.891 13.350 -0.402 1069 HB2 ASP 46 2HB ASP 46 -16.185 13.254 1.987 1070 HB3 ASP 46 1HB ASP 46 -14.907 14.412 1.622 1071 H ALA 47 H ALA 47 -13.504 14.002 -0.882 1072 HA ALA 47 HA ALA 47 -13.538 16.685 -1.560 1073 HB1 ALA 47 1HB ALA 47 -11.524 16.139 -2.956 1074 HB2 ALA 47 2HB ALA 47 -11.835 14.434 -2.631 1075 HB3 ALA 47 3HB ALA 47 -11.453 15.529 -1.303 1076 H GLN 48 H GLN 48 -14.624 13.936 -3.500 1077 HA GLN 48 HA GLN 48 -14.797 15.644 -5.877 1078 HB2 GLN 48 2HB GLN 48 -15.732 12.797 -5.495 1079 HB3 GLN 48 1HB GLN 48 -15.518 13.651 -7.026 1080 HG2 GLN 48 2HG GLN 48 -13.344 12.919 -5.048 1081 HG3 GLN 48 1HG GLN 48 -13.591 12.219 -6.647 1082 HE21 GLN 48 1HE2 GLN 48 -11.600 14.325 -5.121 1083 HE22 GLN 48 2HE2 GLN 48 -11.256 15.393 -6.398 1084 H LYS 49 H LYS 49 -16.489 16.909 -6.164 1085 HA LYS 49 HA LYS 49 -18.769 16.921 -4.542 1086 HB2 LYS 49 2HB LYS 49 -17.894 18.887 -5.749 1087 HB3 LYS 49 1HB LYS 49 -18.440 18.173 -7.266 1088 HG2 LYS 49 2HG LYS 49 -20.766 18.141 -6.392 1089 HG3 LYS 49 1HG LYS 49 -20.202 18.918 -4.913 1090 HD2 LYS 49 2HD LYS 49 -19.329 20.811 -6.311 1091 HD3 LYS 49 1HD LYS 49 -20.079 20.057 -7.719 1092 HE2 LYS 49 2HE LYS 49 -21.764 21.517 -7.062 1093 HE3 LYS 49 1HE LYS 49 -22.233 20.059 -6.187 1094 HZ1 LYS 49 3HZ LYS 49 -21.596 22.555 -5.132 1095 HZ2 LYS 49 1HZ LYS 49 -20.357 21.496 -4.663 1096 HZ3 LYS 49 2HZ LYS 49 -21.972 21.130 -4.286 1097 H ASP 50 H ASP 50 -18.342 15.533 -7.785 1098 HA ASP 50 HA ASP 50 -21.111 15.036 -8.167 1099 HB2 ASP 50 2HB ASP 50 -18.697 13.801 -9.483 1100 HB3 ASP 50 1HB ASP 50 -20.367 13.514 -9.979 1101 H VAL 51 H VAL 51 -22.352 13.251 -7.910 1102 HA VAL 51 HA VAL 51 -21.615 11.384 -5.850 1103 HB VAL 51 HB VAL 51 -23.813 10.488 -6.087 1104 HG11 VAL 51 1HG1 VAL 51 -25.024 12.352 -5.513 1105 HG12 VAL 51 2HG1 VAL 51 -24.438 13.295 -6.882 1106 HG13 VAL 51 3HG1 VAL 51 -23.413 13.066 -5.464 1107 HG21 VAL 51 3HG2 VAL 51 -23.921 10.116 -8.468 1108 HG22 VAL 51 1HG2 VAL 51 -23.828 11.843 -8.802 1109 HG23 VAL 51 2HG2 VAL 51 -25.267 11.170 -8.042 1110 H ASP 52 H ASP 52 -21.601 11.518 -9.295 1111 HA ASP 52 HA ASP 52 -21.326 8.714 -9.813 1112 HB2 ASP 52 2HB ASP 52 -20.694 11.160 -11.482 1113 HB3 ASP 52 1HB ASP 52 -20.588 9.503 -12.075 1114 H ALA 53 H ALA 53 -19.366 10.955 -8.362 1115 HA ALA 53 HA ALA 53 -16.827 10.544 -9.412 1116 HB1 ALA 53 1HB ALA 53 -17.389 12.206 -7.667 1117 HB2 ALA 53 2HB ALA 53 -15.996 11.208 -7.232 1118 HB3 ALA 53 3HB ALA 53 -17.571 10.891 -6.503 1119 H VAL 54 H VAL 54 -18.693 8.556 -7.120 1120 HA VAL 54 HA VAL 54 -16.613 6.769 -6.433 1121 HB VAL 54 HB VAL 54 -18.878 6.830 -5.328 1122 HG11 VAL 54 1HG1 VAL 54 -20.021 6.850 -7.687 1123 HG12 VAL 54 2HG1 VAL 54 -20.780 5.928 -6.392 1124 HG13 VAL 54 3HG1 VAL 54 -19.816 5.101 -7.616 1125 HG21 VAL 54 3HG2 VAL 54 -17.873 4.209 -6.486 1126 HG22 VAL 54 1HG2 VAL 54 -19.060 4.317 -5.187 1127 HG23 VAL 54 2HG2 VAL 54 -17.426 4.928 -4.935 1128 H ASP 55 H ASP 55 -18.965 6.777 -9.096 1129 HA ASP 55 HA ASP 55 -18.223 4.302 -10.221 1130 HB2 ASP 55 2HB ASP 55 -19.356 6.798 -11.486 1131 HB3 ASP 55 1HB ASP 55 -19.197 5.260 -12.328 1132 H LYS 56 H LYS 56 -17.062 7.611 -10.732 1133 HA LYS 56 HA LYS 56 -15.266 7.024 -12.825 1134 HB2 LYS 56 2HB LYS 56 -15.137 9.159 -10.683 1135 HB3 LYS 56 1HB LYS 56 -14.111 9.115 -12.117 1136 HG2 LYS 56 2HG LYS 56 -16.164 9.135 -13.538 1137 HG3 LYS 56 1HG LYS 56 -17.136 9.311 -12.077 1138 HD2 LYS 56 2HD LYS 56 -15.870 11.397 -11.537 1139 HD3 LYS 56 1HD LYS 56 -15.026 11.244 -13.078 1140 HE2 LYS 56 2HE LYS 56 -16.795 12.688 -13.614 1141 HE3 LYS 56 1HE LYS 56 -17.427 11.114 -14.099 1142 HZ1 LYS 56 3HZ LYS 56 -18.117 11.235 -11.503 1143 HZ2 LYS 56 1HZ LYS 56 -19.138 11.654 -12.791 1144 HZ3 LYS 56 2HZ LYS 56 -18.273 12.862 -11.967 1145 H VAL 57 H VAL 57 -14.935 6.900 -9.312 1146 HA VAL 57 HA VAL 57 -12.152 6.400 -9.254 1147 HB VAL 57 HB VAL 57 -14.341 5.753 -7.276 1148 HG11 VAL 57 1HG1 VAL 57 -12.634 4.260 -6.668 1149 HG12 VAL 57 2HG1 VAL 57 -12.252 5.692 -5.711 1150 HG13 VAL 57 3HG1 VAL 57 -11.357 5.358 -7.194 1151 HG21 VAL 57 3HG2 VAL 57 -13.721 8.182 -7.887 1152 HG22 VAL 57 1HG2 VAL 57 -12.175 7.855 -7.102 1153 HG23 VAL 57 2HG2 VAL 57 -13.674 7.751 -6.176 1154 H MET 58 H MET 58 -14.939 4.153 -9.190 1155 HA MET 58 HA MET 58 -13.257 1.877 -8.936 1156 HB2 MET 58 2HB MET 58 -15.143 0.673 -8.657 1157 HB3 MET 58 1HB MET 58 -15.839 2.266 -8.422 1158 HG2 MET 58 2HG MET 58 -17.329 1.509 -9.971 1159 HG3 MET 58 1HG MET 58 -16.109 2.046 -11.114 1160 HE1 MET 58 3HE MET 58 -17.336 -0.487 -8.828 1161 HE2 MET 58 1HE MET 58 -16.856 -2.085 -9.416 1162 HE3 MET 58 2HE MET 58 -18.214 -1.243 -10.156 1163 H LYS 59 H LYS 59 -14.586 3.431 -11.847 1164 HA LYS 59 HA LYS 59 -14.088 1.281 -13.594 1165 HB2 LYS 59 2HB LYS 59 -14.059 4.237 -14.217 1166 HB3 LYS 59 1HB LYS 59 -14.078 2.948 -15.422 1167 HG2 LYS 59 2HG LYS 59 -16.201 3.312 -13.316 1168 HG3 LYS 59 1HG LYS 59 -16.327 3.859 -14.983 1169 HD2 LYS 59 2HD LYS 59 -15.562 1.264 -15.381 1170 HD3 LYS 59 1HD LYS 59 -16.454 1.107 -13.866 1171 HE2 LYS 59 2HE LYS 59 -17.481 2.466 -16.348 1172 HE3 LYS 59 1HE LYS 59 -17.918 0.831 -15.849 1173 HZ1 LYS 59 3HZ LYS 59 -19.574 2.462 -15.143 1174 HZ2 LYS 59 1HZ LYS 59 -18.391 3.300 -14.263 1175 HZ3 LYS 59 2HZ LYS 59 -18.830 1.724 -13.805 1176 H GLU 60 H GLU 60 -11.867 3.887 -12.555 1177 HA GLU 60 HA GLU 60 -9.823 3.039 -14.374 1178 HB2 GLU 60 2HB GLU 60 -8.399 4.608 -13.323 1179 HB3 GLU 60 1HB GLU 60 -10.004 5.334 -13.267 1180 HG2 GLU 60 2HG GLU 60 -10.268 4.437 -10.951 1181 HG3 GLU 60 1HG GLU 60 -8.603 3.871 -11.011 1182 H LEU 61 H LEU 61 -10.666 2.261 -11.052 1183 HA LEU 61 HA LEU 61 -8.316 0.787 -10.452 1184 HB2 LEU 61 2HB LEU 61 -11.089 0.565 -9.284 1185 HB3 LEU 61 1HB LEU 61 -9.648 -0.178 -8.604 1186 HG LEU 61 HG LEU 61 -10.027 2.796 -9.004 1187 HD11 LEU 61 1HD1 LEU 61 -10.690 2.952 -6.788 1188 HD12 LEU 61 2HD1 LEU 61 -9.802 1.505 -6.311 1189 HD13 LEU 61 3HD1 LEU 61 -11.344 1.358 -7.150 1190 HD21 LEU 61 3HD2 LEU 61 -7.765 1.069 -8.061 1191 HD22 LEU 61 1HD2 LEU 61 -8.013 2.614 -7.271 1192 HD23 LEU 61 2HD2 LEU 61 -7.713 2.571 -8.992 1193 H ASP 62 H ASP 62 -11.398 -0.140 -11.925 1194 HA ASP 62 HA ASP 62 -10.798 -2.924 -11.705 1195 HB2 ASP 62 2HB ASP 62 -13.094 -1.927 -12.077 1196 HB3 ASP 62 1HB ASP 62 -12.615 -1.667 -13.754 1197 H GLU 63 H GLU 63 -8.496 -2.610 -12.429 1198 HA GLU 63 HA GLU 63 -7.890 -2.164 -15.189 1199 HB2 GLU 63 2HB GLU 63 -6.142 -2.152 -13.434 1200 HB3 GLU 63 1HB GLU 63 -6.436 -3.868 -13.138 1201 HG2 GLU 63 2HG GLU 63 -5.846 -4.371 -15.474 1202 HG3 GLU 63 1HG GLU 63 -5.519 -2.671 -15.761 1203 H ASN 64 H ASN 64 -8.780 -4.739 -13.184 1204 HA ASN 64 HA ASN 64 -8.499 -6.957 -14.797 1205 HB2 ASN 64 2HB ASN 64 -8.836 -6.919 -12.401 1206 HB3 ASN 64 1HB ASN 64 -10.428 -6.223 -12.613 1207 HD21 ASN 64 1HD2 ASN 64 -8.651 -9.132 -13.827 1208 HD22 ASN 64 2HD2 ASN 64 -9.967 -10.179 -13.593 1209 H GLY 65 H GLY 65 -11.165 -4.629 -14.520 1210 HA2 GLY 65 2HA GLY 65 -12.760 -4.058 -16.103 1211 HA3 GLY 65 1HA GLY 65 -12.095 -5.287 -17.168 1212 H ASP 66 H ASP 66 -12.954 -6.347 -13.987 1213 HA ASP 66 HA ASP 66 -15.095 -7.954 -15.151 1214 HB2 ASP 66 2HB ASP 66 -15.059 -9.140 -12.998 1215 HB3 ASP 66 1HB ASP 66 -13.440 -9.020 -13.686 1216 H GLY 67 H GLY 67 -15.038 -4.918 -13.956 1217 HA2 GLY 67 2HA GLY 67 -16.890 -3.543 -13.553 1218 HA3 GLY 67 1HA GLY 67 -17.885 -4.983 -13.350 1219 H GLU 68 H GLU 68 -15.247 -5.599 -11.601 1220 HA GLU 68 HA GLU 68 -16.305 -4.392 -9.110 1221 HB2 GLU 68 2HB GLU 68 -14.962 -7.078 -9.449 1222 HB3 GLU 68 1HB GLU 68 -15.458 -6.370 -7.924 1223 HG2 GLU 68 2HG GLU 68 -17.216 -7.816 -8.391 1224 HG3 GLU 68 1HG GLU 68 -17.825 -6.275 -9.014 1225 H VAL 69 H VAL 69 -14.693 -4.125 -7.417 1226 HA VAL 69 HA VAL 69 -12.032 -3.526 -8.540 1227 HB VAL 69 HB VAL 69 -13.269 -2.594 -5.936 1228 HG11 VAL 69 1HG1 VAL 69 -10.727 -1.814 -7.366 1229 HG12 VAL 69 2HG1 VAL 69 -10.842 -2.663 -5.821 1230 HG13 VAL 69 3HG1 VAL 69 -11.375 -0.987 -5.950 1231 HG21 VAL 69 3HG2 VAL 69 -13.375 -0.391 -7.090 1232 HG22 VAL 69 1HG2 VAL 69 -14.449 -1.603 -7.785 1233 HG23 VAL 69 2HG2 VAL 69 -12.929 -1.204 -8.590 1234 H ASP 70 H ASP 70 -10.362 -4.819 -7.927 1235 HA ASP 70 HA ASP 70 -11.009 -6.964 -6.016 1236 HB2 ASP 70 2HB ASP 70 -10.216 -7.519 -8.326 1237 HB3 ASP 70 1HB ASP 70 -8.660 -6.831 -7.895 1238 H PHE 71 H PHE 71 -9.335 -7.756 -4.584 1239 HA PHE 71 HA PHE 71 -8.503 -5.925 -2.700 1240 HB2 PHE 71 2HB PHE 71 -8.611 -8.494 -2.644 1241 HB3 PHE 71 1HB PHE 71 -7.021 -8.471 -3.381 1242 HD1 PHE 71 1HD PHE 71 -6.661 -5.674 -1.439 1243 HD2 PHE 71 2HD PHE 71 -7.329 -9.885 -0.949 1244 HE1 PHE 71 1HE PHE 71 -5.635 -5.571 0.802 1245 HE2 PHE 71 2HE PHE 71 -6.308 -9.766 1.297 1246 HZ PHE 71 HZ PHE 71 -5.469 -7.616 2.164 1247 H GLN 72 H GLN 72 -6.605 -7.253 -5.448 1248 HA GLN 72 HA GLN 72 -4.201 -5.872 -4.824 1249 HB2 GLN 72 2HB GLN 72 -5.296 -6.820 -7.489 1250 HB3 GLN 72 1HB GLN 72 -3.649 -6.239 -7.234 1251 HG2 GLN 72 2HG GLN 72 -3.261 -8.012 -5.590 1252 HG3 GLN 72 1HG GLN 72 -4.907 -8.585 -5.772 1253 HE21 GLN 72 1HE2 GLN 72 -2.755 -10.322 -6.268 1254 HE22 GLN 72 2HE2 GLN 72 -2.682 -10.653 -7.927 1255 H GLU 73 H GLU 73 -7.035 -4.970 -6.780 1256 HA GLU 73 HA GLU 73 -6.014 -2.553 -7.833 1257 HB2 GLU 73 2HB GLU 73 -8.853 -3.351 -7.162 1258 HB3 GLU 73 1HB GLU 73 -8.403 -2.001 -8.190 1259 HG2 GLU 73 2HG GLU 73 -7.285 -3.597 -9.746 1260 HG3 GLU 73 1HG GLU 73 -7.824 -4.930 -8.731 1261 H TYR 74 H TYR 74 -7.869 -3.344 -4.957 1262 HA TYR 74 HA TYR 74 -8.244 -0.755 -3.887 1263 HB2 TYR 74 2HB TYR 74 -9.483 -2.799 -3.216 1264 HB3 TYR 74 1HB TYR 74 -8.015 -3.418 -2.463 1265 HD1 TYR 74 1HD TYR 74 -10.666 -0.874 -2.297 1266 HD2 TYR 74 2HD TYR 74 -7.161 -2.466 -0.395 1267 HE1 TYR 74 1HE TYR 74 -11.209 0.382 -0.235 1268 HE2 TYR 74 2HE TYR 74 -7.703 -1.196 1.666 1269 HH TYR 74 HH TYR 74 -10.625 0.851 1.829 1270 H VAL 75 H VAL 75 -5.811 -3.202 -3.505 1271 HA VAL 75 HA VAL 75 -4.318 -2.025 -1.444 1272 HB VAL 75 HB VAL 75 -4.121 -4.409 -2.986 1273 HG11 VAL 75 1HG1 VAL 75 -1.666 -4.525 -3.418 1274 HG12 VAL 75 2HG1 VAL 75 -1.603 -2.785 -3.246 1275 HG13 VAL 75 3HG1 VAL 75 -2.546 -3.495 -4.538 1276 HG21 VAL 75 3HG2 VAL 75 -3.836 -4.499 -0.646 1277 HG22 VAL 75 1HG2 VAL 75 -2.531 -3.305 -0.673 1278 HG23 VAL 75 2HG2 VAL 75 -2.260 -4.920 -1.320 1279 H VAL 76 H VAL 76 -3.933 -1.781 -5.006 1280 HA VAL 76 HA VAL 76 -1.746 0.040 -4.690 1281 HB VAL 76 HB VAL 76 -1.967 0.558 -7.044 1282 HG11 VAL 76 1HG1 VAL 76 -2.643 -2.370 -6.818 1283 HG12 VAL 76 2HG1 VAL 76 -1.138 -1.744 -6.140 1284 HG13 VAL 76 3HG1 VAL 76 -1.461 -1.585 -7.866 1285 HG21 VAL 76 3HG2 VAL 76 -3.810 -0.139 -8.391 1286 HG22 VAL 76 1HG2 VAL 76 -4.526 0.630 -6.976 1287 HG23 VAL 76 2HG2 VAL 76 -4.465 -1.122 -7.093 1288 H LEU 77 H LEU 77 -5.295 0.453 -4.825 1289 HA LEU 77 HA LEU 77 -5.295 3.254 -5.156 1290 HB2 LEU 77 2HB LEU 77 -7.368 1.966 -5.199 1291 HB3 LEU 77 1HB LEU 77 -7.155 1.512 -3.518 1292 HG LEU 77 HG LEU 77 -7.271 4.015 -2.955 1293 HD11 LEU 77 1HD1 LEU 77 -8.081 5.579 -4.479 1294 HD12 LEU 77 2HD1 LEU 77 -8.714 4.358 -5.560 1295 HD13 LEU 77 3HD1 LEU 77 -6.985 4.655 -5.495 1296 HD21 LEU 77 3HD2 LEU 77 -9.120 2.621 -2.425 1297 HD22 LEU 77 1HD2 LEU 77 -9.602 2.495 -4.117 1298 HD23 LEU 77 2HD2 LEU 77 -9.795 4.022 -3.257 1299 H VAL 78 H VAL 78 -5.204 1.403 -2.066 1300 HA VAL 78 HA VAL 78 -5.009 3.809 -0.542 1301 HB VAL 78 HB VAL 78 -4.373 2.438 1.387 1302 HG11 VAL 78 1HG1 VAL 78 -6.703 1.709 -0.334 1303 HG12 VAL 78 2HG1 VAL 78 -6.657 2.565 1.209 1304 HG13 VAL 78 3HG1 VAL 78 -6.424 0.818 1.164 1305 HG21 VAL 78 3HG2 VAL 78 -2.994 0.752 0.121 1306 HG22 VAL 78 1HG2 VAL 78 -4.494 0.037 -0.467 1307 HG23 VAL 78 2HG2 VAL 78 -4.136 0.042 1.253 1308 H ALA 79 H ALA 79 -2.583 1.635 -1.923 1309 HA ALA 79 HA ALA 79 -0.404 2.829 -0.486 1310 HB1 ALA 79 1HB ALA 79 0.114 1.672 -3.173 1311 HB2 ALA 79 2HB ALA 79 -0.604 0.613 -1.968 1312 HB3 ALA 79 3HB ALA 79 0.931 1.395 -1.633 1313 H ALA 80 H ALA 80 -1.655 3.361 -3.774 1314 HA ALA 80 HA ALA 80 0.199 5.369 -4.485 1315 HB1 ALA 80 1HB ALA 80 -1.588 5.995 -6.181 1316 HB2 ALA 80 2HB ALA 80 -2.582 4.721 -5.474 1317 HB3 ALA 80 3HB ALA 80 -1.038 4.319 -6.230 1318 H LEU 81 H LEU 81 -2.985 5.436 -2.900 1319 HA LEU 81 HA LEU 81 -3.113 8.283 -2.798 1320 HB2 LEU 81 2HB LEU 81 -4.592 6.076 -1.454 1321 HB3 LEU 81 1HB LEU 81 -4.648 7.677 -0.716 1322 HG LEU 81 HG LEU 81 -5.364 8.627 -2.926 1323 HD11 LEU 81 1HD1 LEU 81 -5.952 5.832 -3.837 1324 HD12 LEU 81 2HD1 LEU 81 -4.406 6.580 -4.210 1325 HD13 LEU 81 3HD1 LEU 81 -5.899 7.312 -4.780 1326 HD21 LEU 81 3HD2 LEU 81 -7.677 7.620 -2.903 1327 HD22 LEU 81 1HD2 LEU 81 -7.111 8.161 -1.325 1328 HD23 LEU 81 2HD2 LEU 81 -7.098 6.442 -1.729 1329 H THR 82 H THR 82 -1.610 5.826 -0.726 1330 HA THR 82 HA THR 82 -1.080 7.537 1.472 1331 HB THR 82 HB THR 82 0.596 5.214 0.497 1332 HG1 THR 82 1HG THR 82 -1.357 5.029 2.488 1333 HG21 THR 82 3HG2 THR 82 1.872 5.942 2.238 1334 HG22 THR 82 1HG2 THR 82 0.627 5.178 3.224 1335 HG23 THR 82 2HG2 THR 82 0.567 6.912 2.923 1336 H VAL 83 H VAL 83 0.995 6.659 -1.323 1337 HA VAL 83 HA VAL 83 3.089 8.435 -0.526 1338 HB VAL 83 HB VAL 83 3.522 6.636 -2.159 1339 HG11 VAL 83 1HG1 VAL 83 1.355 7.037 -3.461 1340 HG12 VAL 83 2HG1 VAL 83 2.782 6.725 -4.409 1341 HG13 VAL 83 3HG1 VAL 83 2.185 8.374 -4.237 1342 HG21 VAL 83 3HG2 VAL 83 5.162 7.841 -3.280 1343 HG22 VAL 83 1HG2 VAL 83 4.755 8.972 -1.991 1344 HG23 VAL 83 2HG2 VAL 83 4.085 9.202 -3.608 1345 H ALA 84 H ALA 84 0.238 8.883 -2.566 1346 HA ALA 84 HA ALA 84 0.899 11.497 -3.455 1347 HB1 ALA 84 1HB ALA 84 -1.886 10.414 -3.041 1348 HB2 ALA 84 2HB ALA 84 -0.873 9.954 -4.411 1349 HB3 ALA 84 3HB ALA 84 -1.355 11.638 -4.196 1350 H CYS 85 H CHC 85 -0.520 10.185 -0.560 1351 HA CYS 85 HA CHC 85 -1.608 12.595 0.471 1352 HB2 CYS 85 2HB CHC 85 -2.190 10.286 1.280 1353 HB3 CYS 85 1HB CHC 85 -0.599 10.207 2.035 1354 H ASN 86 H ASN 86 1.426 10.817 1.219 1355 HA ASN 86 HA ASN 86 2.467 12.805 2.924 1356 HB2 ASN 86 2HB ASN 86 3.478 10.532 2.570 1357 HB3 ASN 86 1HB ASN 86 4.088 11.104 1.017 1358 HD21 ASN 86 1HD2 ASN 86 4.186 11.924 4.524 1359 HD22 ASN 86 2HD2 ASN 86 5.736 12.612 4.468 1360 H ASN 87 H ASN 87 2.577 12.429 -0.601 1361 HA ASN 87 HA ASN 87 4.236 14.641 -1.193 1362 HB2 ASN 87 2HB ASN 87 1.931 13.475 -2.776 1363 HB3 ASN 87 1HB ASN 87 3.146 14.579 -3.415 1364 HD21 ASN 87 1HD2 ASN 87 5.489 13.515 -2.214 1365 HD22 ASN 87 2HD2 ASN 87 5.745 11.947 -2.811 1366 H PHE 88 H PHE 88 0.770 14.378 -0.575 1367 HA PHE 88 HA PHE 88 0.099 17.026 -1.284 1368 HB2 PHE 88 2HB PHE 88 -1.556 15.204 -0.938 1369 HB3 PHE 88 1HB PHE 88 -1.226 15.270 0.794 1370 HD1 PHE 88 1HD PHE 88 -2.587 17.152 -2.094 1371 HD2 PHE 88 2HD PHE 88 -2.063 17.062 2.168 1372 HE1 PHE 88 1HE PHE 88 -4.188 19.031 -1.857 1373 HE2 PHE 88 2HE PHE 88 -3.664 18.941 2.405 1374 HZ PHE 88 HZ PHE 88 -4.727 19.925 0.392 1375 H PHE 89 H PHE 89 0.963 15.577 1.853 1376 HA PHE 89 HA PHE 89 0.657 17.921 3.380 1377 HB2 PHE 89 2HB PHE 89 0.823 15.642 4.325 1378 HB3 PHE 89 1HB PHE 89 2.535 15.612 3.899 1379 HD1 PHE 89 2HD PHE 89 -0.023 17.259 6.014 1380 HD2 PHE 89 1HD PHE 89 4.167 16.856 5.160 1381 HE1 PHE 89 2HE PHE 89 0.521 18.464 8.113 1382 HE2 PHE 89 1HE PHE 89 4.711 18.061 7.258 1383 HZ PHE 89 HZ PHE 89 2.888 18.865 8.734 1384 H TRP 90 H TRP 90 3.643 16.534 1.941 1385 HA TRP 90 HA TRP 90 5.278 18.712 2.833 1386 HB2 TRP 90 2HB TRP 90 6.314 16.596 2.460 1387 HB3 TRP 90 1HB TRP 90 5.743 16.565 0.789 1388 HD1 TRP 90 HD TRP 90 6.591 18.573 -0.754 1389 HE1 TRP 90 1HE TRP 90 8.887 19.709 -0.910 1390 HE3 TRP 90 3HE TRP 90 8.445 17.257 3.787 1391 HZ2 TRP 90 2HZ TRP 90 11.238 20.010 0.730 1392 HZ3 TRP 90 3HZ TRP 90 10.713 17.977 4.478 1393 HH2 TRP 90 HH TRP 90 12.110 19.350 2.957 1394 H GLU 91 H GLU 91 4.021 17.826 -0.315 1395 HA GLU 91 HA GLU 91 5.100 20.032 -1.654 1396 HB2 GLU 91 2HB GLU 91 4.172 17.797 -2.531 1397 HB3 GLU 91 1HB GLU 91 2.614 18.616 -2.560 1398 HG2 GLU 91 2HG GLU 91 5.110 19.758 -3.857 1399 HG3 GLU 91 1HG GLU 91 3.954 18.743 -4.724 1400 H ASN 92 H ASN 92 2.065 19.677 0.096 1401 HA ASN 92 HA ASN 92 1.263 22.381 -0.772 1402 HB2 ASN 92 2HB ASN 92 -0.379 20.431 -0.826 1403 HB3 ASN 92 1HB ASN 92 -0.349 20.487 0.936 1404 HD21 ASN 92 1HD2 ASN 92 -2.806 21.014 0.033 1405 HD22 ASN 92 2HD2 ASN 92 -3.151 22.675 0.016 1406 H SER 93 H SER 93 1.781 24.045 0.478 1407 HA SER 93 HA SER 93 2.085 25.333 2.368 1408 HB2 SER 93 2HB SER 93 1.464 23.018 4.161 1409 HB3 SER 93 1HB SER 93 1.082 24.725 4.367 1410 HG SER 93 HG SER 93 -0.322 24.407 2.470 1411 H1 HCS 201 1HT CHC 85 0.273 -14.606 9.444 1412 H2 HCS 201 2HT CHC 85 1.125 -16.069 9.299 1413 H HCS 201 3HT CHC 85 0.168 -15.508 8.012 1414 HCA HCS 201 HH CHC 85 2.820 -15.147 8.199 1415 HB2 HCS 201 1HZ CHC 85 0.818 -13.293 6.874 1416 HB3 HCS 201 2HZ CHC 85 1.365 -14.833 6.209 1417 HG2 HCS 201 1HE CHC 85 3.687 -13.993 6.185 1418 HG3 HCS 201 2HE CHC 85 3.141 -12.457 6.857 1419 H1 HCS 201 1HT CHC 85 -2.361 15.572 7.385 1420 H2 HCS 201 2HT CHC 85 -3.131 16.997 6.872 1421 H HCS 201 3HT CHC 85 -1.897 16.308 5.929 1422 HCA HCS 201 HH CHC 85 -4.520 15.934 5.504 1423 HB2 HCS 201 1HZ CHC 85 -2.282 13.970 4.924 1424 HB3 HCS 201 2HZ CHC 85 -2.629 15.417 3.976 1425 HG2 HCS 201 1HE CHC 85 -4.886 14.549 3.482 1426 HG3 HCS 201 2HE CHC 85 -4.542 13.106 4.436 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.309 9.552 13.565 2 HA2 GLY 1 2HA GLY 1 -7.948 9.478 11.800 3 HA3 GLY 1 1HA GLY 1 -7.722 9.227 13.529 4 H SER 2 H SER 2 -9.450 7.978 10.693 5 HA SER 2 HA SER 2 -10.363 5.576 11.865 6 HB2 SER 2 2HB SER 2 -9.659 6.092 8.966 7 HB3 SER 2 1HB SER 2 -10.699 4.812 9.579 8 HG SER 2 HG SER 2 -11.857 6.730 10.587 9 H GLU 3 H GLU 3 -9.542 3.405 11.584 10 HA GLU 3 HA GLU 3 -6.812 3.131 12.212 11 HB2 GLU 3 2HB GLU 3 -8.805 1.109 11.179 12 HB3 GLU 3 1HB GLU 3 -7.206 0.693 11.784 13 HG2 GLU 3 2HG GLU 3 -8.562 0.420 13.676 14 HG3 GLU 3 1HG GLU 3 -7.911 2.043 13.897 15 H LEU 4 H LEU 4 -8.526 2.825 9.108 16 HA LEU 4 HA LEU 4 -6.384 1.683 7.673 17 HB2 LEU 4 2HB LEU 4 -8.850 2.111 6.962 18 HB3 LEU 4 1HB LEU 4 -8.285 3.712 6.495 19 HG LEU 4 HG LEU 4 -6.902 1.195 5.536 20 HD11 LEU 4 1HD1 LEU 4 -9.334 1.101 4.933 21 HD12 LEU 4 2HD1 LEU 4 -8.242 1.155 3.552 22 HD13 LEU 4 3HD1 LEU 4 -9.118 2.605 4.034 23 HD21 LEU 4 3HD2 LEU 4 -6.962 3.347 3.618 24 HD22 LEU 4 1HD2 LEU 4 -5.585 2.573 4.391 25 HD23 LEU 4 2HD2 LEU 4 -6.361 3.955 5.154 26 H GLU 5 H GLU 5 -7.260 5.018 8.480 27 HA GLU 5 HA GLU 5 -5.192 6.293 7.015 28 HB2 GLU 5 2HB GLU 5 -6.700 7.173 9.485 29 HB3 GLU 5 1HB GLU 5 -5.582 8.203 8.595 30 HG2 GLU 5 2HG GLU 5 -6.954 7.884 6.560 31 HG3 GLU 5 1HG GLU 5 -8.092 6.919 7.496 32 H THR 6 H THR 6 -5.385 4.929 10.275 33 HA THR 6 HA THR 6 -2.942 5.930 11.245 34 HB THR 6 HB THR 6 -4.185 3.235 11.855 35 HG1 THR 6 1HG THR 6 -4.860 5.832 12.504 36 HG21 THR 6 3HG2 THR 6 -1.859 3.553 12.653 37 HG22 THR 6 1HG2 THR 6 -3.005 3.471 13.991 38 HG23 THR 6 2HG2 THR 6 -2.360 5.030 13.477 39 H ALA 7 H ALA 7 -3.771 3.058 9.363 40 HA ALA 7 HA ALA 7 -1.145 1.957 9.289 41 HB1 ALA 7 1HB ALA 7 -3.448 0.937 8.562 42 HB2 ALA 7 2HB ALA 7 -1.974 0.454 7.724 43 HB3 ALA 7 3HB ALA 7 -3.053 1.646 6.998 44 H MET 8 H MET 8 -2.902 4.119 7.079 45 HA MET 8 HA MET 8 -0.900 4.334 5.094 46 HB2 MET 8 2HB MET 8 -3.042 6.267 6.034 47 HB3 MET 8 1HB MET 8 -2.079 6.510 4.577 48 HG2 MET 8 2HG MET 8 -2.889 4.370 3.665 49 HG3 MET 8 1HG MET 8 -3.843 4.089 5.110 50 HE1 MET 8 3HE MET 8 -3.266 5.900 1.915 51 HE2 MET 8 1HE MET 8 -3.275 7.404 2.846 52 HE3 MET 8 2HE MET 8 -4.579 7.055 1.714 53 H GLU 9 H GLU 9 -1.473 6.144 8.083 54 HA GLU 9 HA GLU 9 0.649 7.994 7.739 55 HB2 GLU 9 2HB GLU 9 -0.745 7.012 10.237 56 HB3 GLU 9 1HB GLU 9 0.454 8.304 10.222 57 HG2 GLU 9 2HG GLU 9 -0.946 9.570 8.618 58 HG3 GLU 9 1HG GLU 9 -2.159 8.300 8.686 59 H THR 10 H THR 10 0.441 4.716 9.093 60 HA THR 10 HA THR 10 3.012 4.734 10.278 61 HB THR 10 HB THR 10 1.551 2.386 9.080 62 HG1 THR 10 1HG THR 10 0.237 3.365 10.581 63 HG21 THR 10 3HG2 THR 10 3.897 1.926 9.596 64 HG22 THR 10 1HG2 THR 10 2.863 1.118 10.776 65 HG23 THR 10 2HG2 THR 10 3.695 2.611 11.211 66 H LEU 11 H LEU 11 1.858 3.822 7.015 67 HA LEU 11 HA LEU 11 4.369 2.917 6.072 68 HB2 LEU 11 2HB LEU 11 2.248 4.326 4.439 69 HB3 LEU 11 1HB LEU 11 3.495 3.248 3.830 70 HG LEU 11 HG LEU 11 1.142 2.517 5.583 71 HD11 LEU 11 1HD1 LEU 11 0.693 0.975 3.628 72 HD12 LEU 11 2HD1 LEU 11 1.954 1.848 2.756 73 HD13 LEU 11 3HD1 LEU 11 0.504 2.696 3.293 74 HD21 LEU 11 3HD2 LEU 11 3.616 0.962 4.864 75 HD22 LEU 11 1HD2 LEU 11 2.084 0.138 5.142 76 HD23 LEU 11 2HD2 LEU 11 2.800 1.103 6.432 77 H ILE 12 H ILE 12 2.814 6.095 6.106 78 HA ILE 12 HA ILE 12 4.887 7.447 4.713 79 HB ILE 12 HB ILE 12 2.942 8.505 6.775 80 HG12 ILE 12 2HG1 ILE 12 2.887 8.678 3.750 81 HG13 ILE 12 1HG1 ILE 12 1.983 7.492 4.661 82 HG21 ILE 12 1HG2 ILE 12 4.827 10.015 6.590 83 HG22 ILE 12 2HG2 ILE 12 3.471 10.710 5.699 84 HG23 ILE 12 3HG2 ILE 12 4.786 9.919 4.829 85 HD11 ILE 12 3HD1 ILE 12 0.645 9.171 5.704 86 HD12 ILE 12 1HD1 ILE 12 0.718 9.615 3.997 87 HD13 ILE 12 2HD1 ILE 12 1.730 10.456 5.175 88 H ASN 13 H ASN 13 4.339 6.953 8.174 89 HA ASN 13 HA ASN 13 6.547 8.406 9.102 90 HB2 ASN 13 2HB ASN 13 5.082 6.068 10.315 91 HB3 ASN 13 1HB ASN 13 6.265 7.051 11.175 92 HD21 ASN 13 1HD2 ASN 13 3.541 6.938 12.039 93 HD22 ASN 13 2HD2 ASN 13 2.834 8.459 11.779 94 H VAL 14 H VAL 14 6.329 4.929 8.202 95 HA VAL 14 HA VAL 14 9.006 4.488 9.114 96 HB VAL 14 HB VAL 14 8.901 2.273 8.183 97 HG11 VAL 14 1HG1 VAL 14 7.402 3.133 10.219 98 HG12 VAL 14 2HG1 VAL 14 7.331 1.464 9.657 99 HG13 VAL 14 3HG1 VAL 14 6.097 2.615 9.153 100 HG21 VAL 14 3HG2 VAL 14 6.653 1.628 7.026 101 HG22 VAL 14 1HG2 VAL 14 7.903 2.418 6.062 102 HG23 VAL 14 2HG2 VAL 14 6.539 3.343 6.667 103 H PHE 15 H PHE 15 7.594 5.219 5.897 104 HA PHE 15 HA PHE 15 10.039 4.862 4.490 105 HB2 PHE 15 2HB PHE 15 7.928 5.145 3.282 106 HB3 PHE 15 1HB PHE 15 7.798 6.806 3.875 107 HD1 PHE 15 1HD PHE 15 10.012 4.519 1.894 108 HD2 PHE 15 2HD PHE 15 8.926 8.572 2.817 109 HE1 PHE 15 1HE PHE 15 11.498 5.341 0.080 110 HE2 PHE 15 2HE PHE 15 10.402 9.384 0.999 111 HZ PHE 15 HZ PHE 15 11.687 7.768 -0.369 112 H HIS 16 H HIS 16 8.600 7.737 6.023 113 HA HIS 16 HA HIS 16 10.792 9.470 5.457 114 HB2 HIS 16 2HB HIS 16 8.535 10.278 6.159 115 HB3 HIS 16 1HB HIS 16 8.835 9.620 7.768 116 HD1 HIS 16 1HD HIS 16 10.624 11.968 5.337 117 HD2 HIS 16 2HD HIS 16 10.003 11.481 9.431 118 HE1 HIS 16 1HE HIS 16 11.766 13.924 6.473 119 HE2 HIS 16 2HE HIS 16 11.397 13.641 8.969 120 H ALA 17 H ALA 17 10.127 7.193 8.061 121 HA ALA 17 HA ALA 17 12.092 8.042 9.847 122 HB1 ALA 17 1HB ALA 17 10.429 6.043 10.081 123 HB2 ALA 17 2HB ALA 17 12.030 5.858 10.780 124 HB3 ALA 17 3HB ALA 17 11.657 5.080 9.226 125 H HIS 18 H HIS 18 12.243 5.736 7.198 126 HA HIS 18 HA HIS 18 15.057 5.360 7.468 127 HB2 HIS 18 2HB HIS 18 13.461 3.739 6.796 128 HB3 HIS 18 1HB HIS 18 13.082 4.687 5.358 129 HD1 HIS 18 1HD HIS 18 14.043 3.464 3.502 130 HD2 HIS 18 2HD HIS 18 16.647 3.633 6.728 131 HE1 HIS 18 1HE HIS 18 16.231 2.598 2.670 132 HE2 HIS 18 2HE HIS 18 17.817 2.564 4.664 133 H SER 19 H SER 19 13.176 6.874 4.732 134 HA SER 19 HA SER 19 15.491 7.574 3.303 135 HB2 SER 19 2HB SER 19 13.187 7.699 2.328 136 HB3 SER 19 1HB SER 19 12.899 9.141 3.283 137 HG SER 19 HG SER 19 15.128 9.689 2.137 138 H GLY 20 H GLY 20 13.607 9.219 5.786 139 HA2 GLY 20 2HA GLY 20 15.057 11.654 5.892 140 HA3 GLY 20 1HA GLY 20 14.030 11.008 7.143 141 H LYS 21 H LYS 21 15.290 8.607 7.674 142 HA LYS 21 HA LYS 21 17.269 9.437 9.510 143 HB2 LYS 21 2HB LYS 21 16.068 7.362 9.818 144 HB3 LYS 21 1HB LYS 21 16.837 6.661 8.396 145 HG2 LYS 21 2HG LYS 21 19.031 6.889 9.518 146 HG3 LYS 21 1HG LYS 21 18.232 7.610 10.917 147 HD2 LYS 21 2HD LYS 21 18.549 5.269 11.393 148 HD3 LYS 21 1HD LYS 21 16.836 5.518 11.093 149 HE2 LYS 21 2HE LYS 21 18.301 4.926 8.624 150 HE3 LYS 21 1HE LYS 21 18.460 3.639 9.821 151 HZ1 LYS 21 3HZ LYS 21 16.060 3.604 10.062 152 HZ2 LYS 21 1HZ LYS 21 16.505 3.319 8.452 153 HZ3 LYS 21 2HZ LYS 21 15.905 4.841 8.909 154 H GLU 22 H GLU 22 17.778 7.920 6.272 155 HA GLU 22 HA GLU 22 20.599 8.821 6.558 156 HB2 GLU 22 2HB GLU 22 20.414 6.396 6.987 157 HB3 GLU 22 1HB GLU 22 19.759 6.184 5.362 158 HG2 GLU 22 2HG GLU 22 21.821 7.207 4.421 159 HG3 GLU 22 1HG GLU 22 22.480 7.330 6.050 160 H GLY 23 H GLY 23 21.645 9.600 4.843 161 HA2 GLY 23 2HA GLY 23 22.028 10.493 2.771 162 HA3 GLY 23 1HA GLY 23 20.970 9.241 2.141 163 H ASP 24 H ASP 24 19.626 10.184 0.801 164 HA ASP 24 HA ASP 24 18.649 12.873 1.163 165 HB2 ASP 24 2HB ASP 24 19.160 11.921 -1.070 166 HB3 ASP 24 1HB ASP 24 17.837 10.785 -0.849 167 H LYS 25 H LYS 25 16.915 13.446 2.219 168 HA LYS 25 HA LYS 25 15.385 11.713 3.735 169 HB2 LYS 25 2HB LYS 25 14.669 14.497 2.816 170 HB3 LYS 25 1HB LYS 25 13.909 13.628 4.158 171 HG2 LYS 25 2HG LYS 25 16.231 13.419 5.221 172 HG3 LYS 25 1HG LYS 25 16.824 14.526 3.986 173 HD2 LYS 25 2HD LYS 25 14.548 15.154 5.894 174 HD3 LYS 25 1HD LYS 25 16.216 15.676 6.121 175 HE2 LYS 25 2HE LYS 25 15.891 16.599 3.640 176 HE3 LYS 25 1HE LYS 25 14.194 16.605 4.122 177 HZ1 LYS 25 3HZ LYS 25 15.666 17.645 6.239 178 HZ2 LYS 25 1HZ LYS 25 14.577 18.463 5.229 179 HZ3 LYS 25 2HZ LYS 25 16.227 18.412 4.830 180 H TYR 26 H TYR 26 14.770 12.862 0.470 181 HA TYR 26 HA TYR 26 12.153 11.487 0.522 182 HB2 TYR 26 2HB TYR 26 13.236 13.554 -1.396 183 HB3 TYR 26 1HB TYR 26 11.644 12.801 -1.503 184 HD1 TYR 26 2HD TYR 26 9.995 13.109 0.365 185 HD2 TYR 26 1HD TYR 26 13.669 15.321 0.150 186 HE1 TYR 26 2HE TYR 26 9.096 14.756 1.983 187 HE2 TYR 26 1HE TYR 26 12.770 16.970 1.769 188 HH TYR 26 HH TYR 26 10.968 17.639 2.894 189 H LYS 27 H LYS 27 14.971 10.232 0.014 190 HA LYS 27 HA LYS 27 14.007 8.727 -2.322 191 HB2 LYS 27 2HB LYS 27 15.614 10.600 -3.121 192 HB3 LYS 27 1HB LYS 27 16.867 9.608 -2.391 193 HG2 LYS 27 2HG LYS 27 16.812 8.877 -4.634 194 HG3 LYS 27 1HG LYS 27 15.882 7.659 -3.761 195 HD2 LYS 27 2HD LYS 27 13.784 8.615 -4.487 196 HD3 LYS 27 1HD LYS 27 14.583 10.050 -5.101 197 HE2 LYS 27 2HE LYS 27 15.796 8.537 -6.726 198 HE3 LYS 27 1HE LYS 27 14.723 7.240 -6.190 199 HZ1 LYS 27 3HZ LYS 27 12.870 8.894 -6.718 200 HZ2 LYS 27 1HZ LYS 27 13.643 8.126 -8.018 201 HZ3 LYS 27 2HZ LYS 27 14.044 9.729 -7.618 202 H LEU 28 H LEU 28 14.695 6.597 -2.407 203 HA LEU 28 HA LEU 28 16.055 5.746 0.083 204 HB2 LEU 28 2HB LEU 28 13.549 5.168 -0.813 205 HB3 LEU 28 1HB LEU 28 14.450 3.863 -1.522 206 HG LEU 28 HG LEU 28 15.440 3.329 0.703 207 HD11 LEU 28 1HD1 LEU 28 15.243 4.891 2.348 208 HD12 LEU 28 2HD1 LEU 28 13.529 4.503 2.443 209 HD13 LEU 28 3HD1 LEU 28 14.070 5.815 1.421 210 HD21 LEU 28 3HD2 LEU 28 12.406 3.296 0.795 211 HD22 LEU 28 1HD2 LEU 28 13.515 2.122 1.491 212 HD23 LEU 28 2HD2 LEU 28 13.331 2.231 -0.261 213 H SER 29 H SER 29 17.976 4.738 -0.101 214 HA SER 29 HA SER 29 18.916 3.940 -2.775 215 HB2 SER 29 2HB SER 29 20.276 5.615 -1.529 216 HB3 SER 29 1HB SER 29 20.536 4.418 -0.270 217 HG SER 29 HG SER 29 22.238 4.385 -1.758 218 H LYS 30 H LYS 30 20.152 1.935 -2.969 219 HA LYS 30 HA LYS 30 18.854 -0.305 -2.010 220 HB2 LYS 30 2HB LYS 30 20.518 -0.264 -3.860 221 HB3 LYS 30 1HB LYS 30 21.787 -0.153 -2.640 222 HG2 LYS 30 2HG LYS 30 20.917 -2.279 -1.619 223 HG3 LYS 30 1HG LYS 30 19.779 -2.398 -2.958 224 HD2 LYS 30 2HD LYS 30 21.682 -3.728 -3.529 225 HD3 LYS 30 1HD LYS 30 21.747 -2.278 -4.528 226 HE2 LYS 30 2HE LYS 30 23.116 -1.968 -1.911 227 HE3 LYS 30 1HE LYS 30 23.839 -3.192 -2.967 228 HZ1 LYS 30 3HZ LYS 30 23.739 -0.327 -3.275 229 HZ2 LYS 30 1HZ LYS 30 23.350 -1.185 -4.686 230 HZ3 LYS 30 2HZ LYS 30 24.839 -1.453 -3.913 231 H LYS 31 H LYS 31 21.846 1.135 -0.784 232 HA LYS 31 HA LYS 31 22.349 -0.759 1.198 233 HB2 LYS 31 2HB LYS 31 23.822 0.910 2.149 234 HB3 LYS 31 1HB LYS 31 23.900 1.052 0.391 235 HG2 LYS 31 2HG LYS 31 22.143 2.867 0.540 236 HG3 LYS 31 1HG LYS 31 22.317 2.787 2.295 237 HD2 LYS 31 2HD LYS 31 24.716 3.170 2.020 238 HD3 LYS 31 1HD LYS 31 24.457 3.515 0.318 239 HE2 LYS 31 2HE LYS 31 22.954 5.353 0.905 240 HE3 LYS 31 1HE LYS 31 23.107 4.964 2.618 241 HZ1 LYS 31 3HZ LYS 31 25.550 5.343 2.334 242 HZ2 LYS 31 1HZ LYS 31 24.586 6.731 2.181 243 HZ3 LYS 31 2HZ LYS 31 25.211 5.976 0.793 244 H GLU 32 H GLU 32 20.652 2.343 1.314 245 HA GLU 32 HA GLU 32 19.927 2.297 4.031 246 HB2 GLU 32 2HB GLU 32 18.530 3.574 1.663 247 HB3 GLU 32 1HB GLU 32 18.192 3.963 3.335 248 HG2 GLU 32 2HG GLU 32 20.558 4.637 3.646 249 HG3 GLU 32 1HG GLU 32 20.815 4.391 1.929 250 H LEU 33 H LEU 33 17.937 1.224 1.173 251 HA LEU 33 HA LEU 33 15.772 0.475 2.835 252 HB2 LEU 33 2HB LEU 33 14.934 -0.912 0.961 253 HB3 LEU 33 1HB LEU 33 15.240 0.766 0.574 254 HG LEU 33 HG LEU 33 17.649 -0.296 -0.092 255 HD11 LEU 33 1HD1 LEU 33 17.357 -2.401 -1.247 256 HD12 LEU 33 2HD1 LEU 33 15.619 -2.376 -0.983 257 HD13 LEU 33 3HD1 LEU 33 16.719 -2.624 0.378 258 HD21 LEU 33 3HD2 LEU 33 15.114 0.258 -1.613 259 HD22 LEU 33 1HD2 LEU 33 16.479 -0.426 -2.485 260 HD23 LEU 33 2HD2 LEU 33 16.647 1.126 -1.651 261 H LYS 34 H LYS 34 18.689 -1.250 1.911 262 HA LYS 34 HA LYS 34 17.839 -3.784 2.753 263 HB2 LYS 34 2HB LYS 34 20.081 -3.334 1.780 264 HB3 LYS 34 1HB LYS 34 20.537 -2.490 3.257 265 HG2 LYS 34 2HG LYS 34 21.415 -4.696 3.484 266 HG3 LYS 34 1HG LYS 34 19.979 -4.656 4.503 267 HD2 LYS 34 2HD LYS 34 18.677 -5.827 2.864 268 HD3 LYS 34 1HD LYS 34 19.929 -5.633 1.648 269 HE2 LYS 34 2HE LYS 34 19.600 -7.835 3.342 270 HE3 LYS 34 1HE LYS 34 21.032 -7.483 2.373 271 HZ1 LYS 34 3HZ LYS 34 22.105 -6.515 4.150 272 HZ2 LYS 34 1HZ LYS 34 21.275 -7.790 4.901 273 HZ3 LYS 34 2HZ LYS 34 20.668 -6.206 5.004 274 H GLU 35 H GLU 35 18.796 -0.879 4.567 275 HA GLU 35 HA GLU 35 18.688 -2.191 7.128 276 HB2 GLU 35 2HB GLU 35 18.719 0.731 6.370 277 HB3 GLU 35 1HB GLU 35 18.808 0.127 8.023 278 HG2 GLU 35 2HG GLU 35 20.832 -1.176 7.420 279 HG3 GLU 35 1HG GLU 35 20.763 -0.500 5.794 280 H LEU 36 H LEU 36 16.376 -0.062 5.316 281 HA LEU 36 HA LEU 36 14.532 0.150 7.489 282 HB2 LEU 36 2HB LEU 36 14.478 1.414 5.238 283 HB3 LEU 36 1HB LEU 36 13.625 0.022 4.616 284 HG LEU 36 HG LEU 36 12.668 1.763 6.984 285 HD11 LEU 36 1HD1 LEU 36 11.161 1.457 4.419 286 HD12 LEU 36 2HD1 LEU 36 12.584 2.470 4.368 287 HD13 LEU 36 3HD1 LEU 36 11.266 2.837 5.495 288 HD21 LEU 36 3HD2 LEU 36 11.673 -0.295 7.429 289 HD22 LEU 36 1HD2 LEU 36 11.660 -0.804 5.743 290 HD23 LEU 36 2HD2 LEU 36 10.497 0.381 6.317 291 H LEU 37 H LEU 37 14.625 -2.239 4.782 292 HA LEU 37 HA LEU 37 12.256 -3.543 5.599 293 HB2 LEU 37 2HB LEU 37 14.619 -4.539 4.016 294 HB3 LEU 37 1HB LEU 37 13.234 -5.560 4.377 295 HG LEU 37 HG LEU 37 13.234 -4.288 2.124 296 HD11 LEU 37 1HD1 LEU 37 10.815 -3.782 3.870 297 HD12 LEU 37 2HD1 LEU 37 11.245 -5.391 3.287 298 HD13 LEU 37 3HD1 LEU 37 10.857 -4.112 2.138 299 HD21 LEU 37 3HD2 LEU 37 12.500 -2.000 2.164 300 HD22 LEU 37 1HD2 LEU 37 13.923 -2.120 3.184 301 HD23 LEU 37 2HD2 LEU 37 12.332 -2.029 3.915 302 H GLN 38 H GLN 38 15.645 -4.153 6.475 303 HA GLN 38 HA GLN 38 15.098 -6.432 8.053 304 HB2 GLN 38 2HB GLN 38 17.356 -4.430 8.190 305 HB3 GLN 38 1HB GLN 38 17.301 -5.923 9.128 306 HG2 GLN 38 2HG GLN 38 17.181 -7.247 7.072 307 HG3 GLN 38 1HG GLN 38 17.156 -5.783 6.092 308 HE21 GLN 38 1HE2 GLN 38 19.219 -7.730 5.767 309 HE22 GLN 38 2HE2 GLN 38 20.683 -7.057 6.301 310 H THR 39 H THR 39 15.079 -2.970 8.794 311 HA THR 39 HA THR 39 14.746 -3.319 11.613 312 HB THR 39 HB THR 39 14.190 -0.941 11.640 313 HG1 THR 39 1HG THR 39 14.102 0.127 9.586 314 HG21 THR 39 3HG2 THR 39 16.547 -2.041 10.254 315 HG22 THR 39 1HG2 THR 39 16.455 -0.839 11.542 316 HG23 THR 39 2HG2 THR 39 16.220 -0.354 9.864 317 H GLU 40 H GLU 40 12.484 -3.059 8.911 318 HA GLU 40 HA GLU 40 10.223 -3.140 10.798 319 HB2 GLU 40 2HB GLU 40 10.404 -2.434 7.875 320 HB3 GLU 40 1HB GLU 40 8.877 -2.645 8.718 321 HG2 GLU 40 2HG GLU 40 11.047 -0.711 9.568 322 HG3 GLU 40 1HG GLU 40 9.611 -0.262 8.652 323 H LEU 41 H LEU 41 11.040 -4.682 7.651 324 HA LEU 41 HA LEU 41 9.296 -6.924 8.423 325 HB2 LEU 41 2HB LEU 41 10.633 -6.430 5.755 326 HB3 LEU 41 1HB LEU 41 9.362 -7.593 6.102 327 HG LEU 41 HG LEU 41 9.129 -4.570 6.132 328 HD11 LEU 41 1HD1 LEU 41 9.019 -6.142 3.985 329 HD12 LEU 41 2HD1 LEU 41 7.907 -4.788 4.176 330 HD13 LEU 41 3HD1 LEU 41 7.379 -6.425 4.561 331 HD21 LEU 41 3HD2 LEU 41 7.262 -6.715 7.138 332 HD22 LEU 41 1HD2 LEU 41 6.623 -5.207 6.490 333 HD23 LEU 41 2HD2 LEU 41 7.687 -5.171 7.891 334 H SER 42 H SER 42 9.966 -9.009 8.597 335 HA SER 42 HA SER 42 12.901 -9.395 8.666 336 HB2 SER 42 2HB SER 42 12.540 -11.081 10.342 337 HB3 SER 42 1HB SER 42 11.660 -9.635 10.830 338 HG SER 42 HG SER 42 10.445 -11.628 10.969 339 H GLY 43 H GLY 43 10.225 -11.696 8.583 340 HA2 GLY 43 2HA GLY 43 11.496 -13.600 7.021 341 HA3 GLY 43 1HA GLY 43 9.760 -13.474 7.228 342 H PHE 44 H PHE 44 9.491 -10.860 5.890 343 HA PHE 44 HA PHE 44 9.084 -11.808 3.279 344 HB2 PHE 44 2HB PHE 44 9.332 -8.981 4.309 345 HB3 PHE 44 1HB PHE 44 8.797 -9.390 2.682 346 HD1 PHE 44 1HD PHE 44 6.682 -10.623 2.319 347 HD2 PHE 44 2HD PHE 44 7.906 -9.341 6.239 348 HE1 PHE 44 1HE PHE 44 4.380 -10.997 3.167 349 HE2 PHE 44 2HE PHE 44 5.607 -9.717 7.080 350 HZ PHE 44 HZ PHE 44 3.844 -10.542 5.546 351 H LEU 45 H LEU 45 11.552 -9.389 4.285 352 HA LEU 45 HA LEU 45 12.901 -9.556 1.759 353 HB2 LEU 45 2HB LEU 45 12.826 -7.651 3.596 354 HB3 LEU 45 1HB LEU 45 14.221 -8.506 4.239 355 HG LEU 45 HG LEU 45 15.077 -6.813 2.758 356 HD11 LEU 45 1HD1 LEU 45 16.364 -8.106 1.253 357 HD12 LEU 45 2HD1 LEU 45 15.075 -9.288 1.031 358 HD13 LEU 45 3HD1 LEU 45 15.966 -9.229 2.555 359 HD21 LEU 45 3HD2 LEU 45 13.612 -7.844 0.362 360 HD22 LEU 45 1HD2 LEU 45 14.165 -6.212 0.731 361 HD23 LEU 45 2HD2 LEU 45 12.708 -6.840 1.495 362 H ASP 46 H ASP 46 13.366 -10.923 4.946 363 HA ASP 46 HA ASP 46 15.855 -12.186 4.564 364 HB2 ASP 46 2HB ASP 46 14.782 -11.802 6.772 365 HB3 ASP 46 1HB ASP 46 13.619 -13.072 6.390 366 H ALA 47 H ALA 47 12.642 -13.080 3.599 367 HA ALA 47 HA ALA 47 12.804 -15.823 3.412 368 HB1 ALA 47 1HB ALA 47 11.240 -15.491 1.378 369 HB2 ALA 47 2HB ALA 47 11.360 -13.773 1.756 370 HB3 ALA 47 3HB ALA 47 10.708 -14.895 2.950 371 H GLN 48 H GLN 48 14.402 -13.456 1.353 372 HA GLN 48 HA GLN 48 14.987 -15.478 -0.668 373 HB2 GLN 48 2HB GLN 48 16.114 -12.692 -0.356 374 HB3 GLN 48 1HB GLN 48 16.192 -13.710 -1.796 375 HG2 GLN 48 2HG GLN 48 13.690 -12.562 -0.528 376 HG3 GLN 48 1HG GLN 48 14.402 -12.089 -2.072 377 HE21 GLN 48 1HE2 GLN 48 11.858 -13.795 -0.935 378 HE22 GLN 48 2HE2 GLN 48 11.733 -14.991 -2.136 379 H LYS 49 H LYS 49 16.530 -16.929 -0.343 380 HA LYS 49 HA LYS 49 18.383 -16.874 1.765 381 HB2 LYS 49 2HB LYS 49 18.336 -18.525 -0.760 382 HB3 LYS 49 1HB LYS 49 19.423 -18.816 0.598 383 HG2 LYS 49 2HG LYS 49 17.433 -19.023 2.094 384 HG3 LYS 49 1HG LYS 49 16.393 -18.863 0.679 385 HD2 LYS 49 2HD LYS 49 17.519 -20.854 -0.325 386 HD3 LYS 49 1HD LYS 49 18.440 -21.045 1.168 387 HE2 LYS 49 2HE LYS 49 16.318 -22.462 0.970 388 HE3 LYS 49 1HE LYS 49 16.475 -21.502 2.441 389 HZ1 LYS 49 3HZ LYS 49 14.278 -21.440 1.120 390 HZ2 LYS 49 1HZ LYS 49 15.108 -20.381 0.087 391 HZ3 LYS 49 2HZ LYS 49 14.916 -19.988 1.729 392 H ASP 50 H ASP 50 18.773 -15.882 -1.615 393 HA ASP 50 HA ASP 50 21.603 -15.747 -1.518 394 HB2 ASP 50 2HB ASP 50 19.641 -14.373 -3.347 395 HB3 ASP 50 1HB ASP 50 21.394 -14.338 -3.550 396 H VAL 51 H VAL 51 23.011 -14.108 -1.178 397 HA VAL 51 HA VAL 51 22.188 -11.970 0.563 398 HB VAL 51 HB VAL 51 24.497 -11.400 0.706 399 HG11 VAL 51 1HG1 VAL 51 24.849 -14.325 0.242 400 HG12 VAL 51 2HG1 VAL 51 23.608 -13.840 1.398 401 HG13 VAL 51 3HG1 VAL 51 25.281 -13.342 1.641 402 HG21 VAL 51 3HG2 VAL 51 25.107 -11.267 -1.620 403 HG22 VAL 51 1HG2 VAL 51 24.810 -12.987 -1.861 404 HG23 VAL 51 2HG2 VAL 51 26.171 -12.459 -0.876 405 H ASP 52 H ASP 52 22.796 -12.402 -2.817 406 HA ASP 52 HA ASP 52 22.944 -9.581 -3.451 407 HB2 ASP 52 2HB ASP 52 22.673 -12.050 -5.183 408 HB3 ASP 52 1HB ASP 52 22.841 -10.413 -5.813 409 H ALA 53 H ALA 53 20.556 -11.448 -2.356 410 HA ALA 53 HA ALA 53 18.397 -11.141 -4.094 411 HB1 ALA 53 1HB ALA 53 18.339 -12.530 -2.063 412 HB2 ALA 53 2HB ALA 53 16.997 -11.383 -2.111 413 HB3 ALA 53 3HB ALA 53 18.387 -11.070 -1.071 414 H VAL 54 H VAL 54 19.789 -8.903 -1.712 415 HA VAL 54 HA VAL 54 17.754 -6.947 -1.847 416 HB VAL 54 HB VAL 54 19.622 -6.944 -0.171 417 HG11 VAL 54 1HG1 VAL 54 21.307 -5.606 -2.282 418 HG12 VAL 54 2HG1 VAL 54 21.343 -7.360 -2.132 419 HG13 VAL 54 3HG1 VAL 54 21.816 -6.350 -0.768 420 HG21 VAL 54 3HG2 VAL 54 19.990 -4.448 -0.325 421 HG22 VAL 54 1HG2 VAL 54 18.299 -4.934 -0.446 422 HG23 VAL 54 2HG2 VAL 54 19.198 -4.485 -1.898 423 H ASP 55 H ASP 55 20.698 -7.449 -3.770 424 HA ASP 55 HA ASP 55 20.504 -5.127 -5.346 425 HB2 ASP 55 2HB ASP 55 21.601 -7.866 -5.984 426 HB3 ASP 55 1HB ASP 55 21.833 -6.458 -7.013 427 H LYS 56 H LYS 56 19.226 -8.409 -5.755 428 HA LYS 56 HA LYS 56 17.981 -7.958 -8.261 429 HB2 LYS 56 2HB LYS 56 17.328 -9.928 -6.061 430 HB3 LYS 56 1HB LYS 56 16.633 -9.972 -7.682 431 HG2 LYS 56 2HG LYS 56 18.943 -10.118 -8.623 432 HG3 LYS 56 1HG LYS 56 19.573 -10.205 -6.978 433 HD2 LYS 56 2HD LYS 56 18.159 -12.230 -6.590 434 HD3 LYS 56 1HD LYS 56 17.674 -12.174 -8.285 435 HE2 LYS 56 2HE LYS 56 20.540 -12.397 -7.319 436 HE3 LYS 56 1HE LYS 56 19.564 -13.749 -7.894 437 HZ1 LYS 56 3HZ LYS 56 19.235 -12.314 -9.966 438 HZ2 LYS 56 1HZ LYS 56 20.737 -13.076 -9.760 439 HZ3 LYS 56 2HZ LYS 56 20.569 -11.422 -9.406 440 H VAL 57 H VAL 57 16.839 -7.568 -4.937 441 HA VAL 57 HA VAL 57 14.131 -7.118 -5.554 442 HB VAL 57 HB VAL 57 15.804 -6.313 -3.169 443 HG11 VAL 57 1HG1 VAL 57 12.884 -5.905 -3.800 444 HG12 VAL 57 2HG1 VAL 57 14.027 -4.771 -3.080 445 HG13 VAL 57 3HG1 VAL 57 13.418 -6.130 -2.134 446 HG21 VAL 57 3HG2 VAL 57 15.180 -8.782 -3.846 447 HG22 VAL 57 1HG2 VAL 57 13.586 -8.340 -3.238 448 HG23 VAL 57 2HG2 VAL 57 14.988 -8.259 -2.171 449 H MET 58 H MET 58 16.768 -4.726 -4.998 450 HA MET 58 HA MET 58 14.981 -2.545 -5.319 451 HB2 MET 58 2HB MET 58 16.726 -1.141 -4.953 452 HB3 MET 58 1HB MET 58 17.381 -2.615 -4.265 453 HG2 MET 58 2HG MET 58 19.157 -2.031 -5.599 454 HG3 MET 58 1HG MET 58 18.235 -2.930 -6.795 455 HE1 MET 58 3HE MET 58 19.779 0.755 -6.113 456 HE2 MET 58 1HE MET 58 18.574 0.194 -4.945 457 HE3 MET 58 2HE MET 58 18.202 1.537 -6.021 458 H LYS 59 H LYS 59 16.857 -4.309 -7.761 459 HA LYS 59 HA LYS 59 16.600 -2.358 -9.789 460 HB2 LYS 59 2HB LYS 59 16.732 -5.367 -10.099 461 HB3 LYS 59 1HB LYS 59 16.941 -4.198 -11.402 462 HG2 LYS 59 2HG LYS 59 18.684 -4.317 -8.950 463 HG3 LYS 59 1HG LYS 59 19.089 -4.995 -10.524 464 HD2 LYS 59 2HD LYS 59 18.383 -2.483 -11.288 465 HD3 LYS 59 1HD LYS 59 18.959 -2.146 -9.654 466 HE2 LYS 59 2HE LYS 59 21.026 -3.473 -10.227 467 HE3 LYS 59 1HE LYS 59 20.433 -3.499 -11.888 468 HZ1 LYS 59 3HZ LYS 59 20.368 -0.875 -10.771 469 HZ2 LYS 59 1HZ LYS 59 21.094 -1.414 -12.206 470 HZ3 LYS 59 2HZ LYS 59 21.938 -1.521 -10.737 471 H GLU 60 H GLU 60 14.416 -4.956 -8.761 472 HA GLU 60 HA GLU 60 12.521 -4.616 -10.844 473 HB2 GLU 60 2HB GLU 60 12.601 -6.583 -9.329 474 HB3 GLU 60 1HB GLU 60 12.043 -5.560 -8.008 475 HG2 GLU 60 2HG GLU 60 10.007 -5.014 -9.333 476 HG3 GLU 60 1HG GLU 60 10.551 -6.126 -10.583 477 H LEU 61 H LEU 61 12.878 -3.174 -7.654 478 HA LEU 61 HA LEU 61 10.441 -1.734 -7.712 479 HB2 LEU 61 2HB LEU 61 12.937 -1.182 -6.104 480 HB3 LEU 61 1HB LEU 61 11.354 -0.484 -5.799 481 HG LEU 61 HG LEU 61 12.062 -3.423 -5.638 482 HD11 LEU 61 1HD1 LEU 61 12.076 -3.186 -3.332 483 HD12 LEU 61 2HD1 LEU 61 11.035 -1.763 -3.369 484 HD13 LEU 61 3HD1 LEU 61 12.734 -1.626 -3.815 485 HD21 LEU 61 3HD2 LEU 61 9.808 -3.515 -6.251 486 HD22 LEU 61 1HD2 LEU 61 9.445 -1.946 -5.514 487 HD23 LEU 61 2HD2 LEU 61 9.684 -3.363 -4.511 488 H ASP 62 H ASP 62 13.695 -0.913 -8.809 489 HA ASP 62 HA ASP 62 13.078 1.854 -9.082 490 HB2 ASP 62 2HB ASP 62 15.397 0.841 -9.023 491 HB3 ASP 62 1HB ASP 62 15.125 0.356 -10.698 492 H GLU 63 H GLU 63 10.880 1.430 -10.020 493 HA GLU 63 HA GLU 63 10.634 0.565 -12.745 494 HB2 GLU 63 2HB GLU 63 8.672 0.767 -11.239 495 HB3 GLU 63 1HB GLU 63 8.909 2.516 -11.183 496 HG2 GLU 63 2HG GLU 63 8.629 2.628 -13.630 497 HG3 GLU 63 1HG GLU 63 8.356 0.897 -13.677 498 H ASN 64 H ASN 64 11.203 3.442 -11.043 499 HA ASN 64 HA ASN 64 11.151 5.365 -13.026 500 HB2 ASN 64 2HB ASN 64 11.087 5.770 -10.649 501 HB3 ASN 64 1HB ASN 64 12.675 5.066 -10.458 502 HD21 ASN 64 1HD2 ASN 64 11.173 7.710 -12.414 503 HD22 ASN 64 2HD2 ASN 64 12.458 8.789 -12.158 504 H GLY 65 H GLY 65 13.762 3.221 -11.936 505 HA2 GLY 65 2HA GLY 65 15.597 2.460 -13.133 506 HA3 GLY 65 1HA GLY 65 15.115 3.493 -14.470 507 H ASP 66 H ASP 66 15.434 5.059 -11.389 508 HA ASP 66 HA ASP 66 17.743 6.512 -12.434 509 HB2 ASP 66 2HB ASP 66 17.357 8.042 -10.554 510 HB3 ASP 66 1HB ASP 66 15.873 7.770 -11.463 511 H GLY 67 H GLY 67 17.499 3.709 -10.782 512 HA2 GLY 67 2HA GLY 67 19.297 2.493 -9.881 513 HA3 GLY 67 1HA GLY 67 20.194 3.998 -9.697 514 H GLU 68 H GLU 68 17.291 4.743 -8.569 515 HA GLU 68 HA GLU 68 17.837 3.884 -5.788 516 HB2 GLU 68 2HB GLU 68 16.743 6.512 -6.773 517 HB3 GLU 68 1HB GLU 68 16.761 6.022 -5.086 518 HG2 GLU 68 2HG GLU 68 18.676 7.327 -5.267 519 HG3 GLU 68 1HG GLU 68 19.312 5.691 -5.466 520 H VAL 69 H VAL 69 15.977 3.802 -4.414 521 HA VAL 69 HA VAL 69 13.526 3.073 -5.878 522 HB VAL 69 HB VAL 69 14.430 2.337 -3.078 523 HG11 VAL 69 1HG1 VAL 69 12.486 0.834 -3.067 524 HG12 VAL 69 2HG1 VAL 69 12.021 1.421 -4.662 525 HG13 VAL 69 3HG1 VAL 69 11.973 2.510 -3.269 526 HG21 VAL 69 3HG2 VAL 69 14.720 0.085 -3.980 527 HG22 VAL 69 1HG2 VAL 69 15.708 1.232 -4.883 528 HG23 VAL 69 2HG2 VAL 69 14.195 0.644 -5.569 529 H ASP 70 H ASP 70 11.784 4.419 -5.656 530 HA ASP 70 HA ASP 70 12.151 6.670 -3.760 531 HB2 ASP 70 2HB ASP 70 10.722 7.979 -5.129 532 HB3 ASP 70 1HB ASP 70 11.844 7.160 -6.207 533 H PHE 71 H PHE 71 10.003 7.640 -3.034 534 HA PHE 71 HA PHE 71 8.813 6.011 -1.130 535 HB2 PHE 71 2HB PHE 71 8.834 8.568 -1.452 536 HB3 PHE 71 1HB PHE 71 7.461 8.328 -2.515 537 HD1 PHE 71 1HD PHE 71 6.719 5.816 -0.338 538 HD2 PHE 71 2HD PHE 71 7.194 10.081 -0.292 539 HE1 PHE 71 1HE PHE 71 5.200 5.962 1.602 540 HE2 PHE 71 2HE PHE 71 5.687 10.212 1.655 541 HZ PHE 71 HZ PHE 71 4.695 8.161 2.593 542 H GLN 72 H GLN 72 7.600 6.857 -4.405 543 HA GLN 72 HA GLN 72 5.152 5.434 -4.193 544 HB2 GLN 72 2HB GLN 72 6.814 6.147 -6.625 545 HB3 GLN 72 1HB GLN 72 5.170 5.512 -6.689 546 HG2 GLN 72 2HG GLN 72 4.367 7.420 -5.374 547 HG3 GLN 72 1HG GLN 72 5.994 8.057 -5.253 548 HE21 GLN 72 1HE2 GLN 72 3.969 9.623 -6.398 549 HE22 GLN 72 2HE2 GLN 72 4.258 9.779 -8.058 550 H GLU 73 H GLU 73 8.369 4.413 -5.342 551 HA GLU 73 HA GLU 73 7.621 1.854 -6.276 552 HB2 GLU 73 2HB GLU 73 10.237 2.885 -5.168 553 HB3 GLU 73 1HB GLU 73 10.051 1.339 -5.984 554 HG2 GLU 73 2HG GLU 73 9.289 2.533 -8.030 555 HG3 GLU 73 1HG GLU 73 9.542 4.070 -7.217 556 H TYR 74 H TYR 74 8.771 3.088 -3.197 557 HA TYR 74 HA TYR 74 8.954 0.673 -1.745 558 HB2 TYR 74 2HB TYR 74 9.952 2.844 -1.072 559 HB3 TYR 74 1HB TYR 74 8.334 3.473 -0.768 560 HD1 TYR 74 1HD TYR 74 10.890 1.047 0.320 561 HD2 TYR 74 2HD TYR 74 7.066 2.804 1.176 562 HE1 TYR 74 1HE TYR 74 10.957 0.090 2.601 563 HE2 TYR 74 2HE TYR 74 7.133 1.834 3.459 564 HH TYR 74 HH TYR 74 8.519 0.884 5.005 565 H VAL 75 H VAL 75 6.438 3.020 -2.239 566 HA VAL 75 HA VAL 75 4.530 2.011 -0.446 567 HB VAL 75 HB VAL 75 4.657 4.207 -2.255 568 HG11 VAL 75 1HG1 VAL 75 3.487 3.047 -3.998 569 HG12 VAL 75 2HG1 VAL 75 2.369 4.177 -3.241 570 HG13 VAL 75 3HG1 VAL 75 2.275 2.469 -2.870 571 HG21 VAL 75 3HG2 VAL 75 2.446 4.809 -1.121 572 HG22 VAL 75 1HG2 VAL 75 3.840 4.551 -0.071 573 HG23 VAL 75 2HG2 VAL 75 2.607 3.293 -0.238 574 H VAL 76 H VAL 76 4.970 1.354 -3.953 575 HA VAL 76 HA VAL 76 2.784 -0.493 -3.929 576 HB VAL 76 HB VAL 76 3.529 -1.262 -6.093 577 HG11 VAL 76 1HG1 VAL 76 3.221 0.751 -7.252 578 HG12 VAL 76 2HG1 VAL 76 4.170 1.679 -6.092 579 HG13 VAL 76 3HG1 VAL 76 2.549 1.127 -5.664 580 HG21 VAL 76 3HG2 VAL 76 5.999 0.424 -5.719 581 HG22 VAL 76 1HG2 VAL 76 5.639 -0.642 -7.065 582 HG23 VAL 76 2HG2 VAL 76 5.991 -1.316 -5.475 583 H LEU 77 H LEU 77 6.274 -0.795 -3.231 584 HA LEU 77 HA LEU 77 6.387 -3.605 -3.204 585 HB2 LEU 77 2HB LEU 77 8.408 -2.299 -2.923 586 HB3 LEU 77 1HB LEU 77 7.793 -1.586 -1.442 587 HG LEU 77 HG LEU 77 7.773 -3.940 -0.442 588 HD11 LEU 77 1HD1 LEU 77 9.820 -4.780 -2.433 589 HD12 LEU 77 2HD1 LEU 77 8.137 -4.939 -2.917 590 HD13 LEU 77 3HD1 LEU 77 8.719 -5.750 -1.471 591 HD21 LEU 77 3HD2 LEU 77 9.466 -2.549 0.331 592 HD22 LEU 77 1HD2 LEU 77 10.239 -2.441 -1.252 593 HD23 LEU 77 2HD2 LEU 77 10.374 -3.923 -0.305 594 H VAL 78 H VAL 78 5.578 -1.425 -0.451 595 HA VAL 78 HA VAL 78 5.042 -3.670 1.233 596 HB VAL 78 HB VAL 78 4.002 -2.129 2.818 597 HG11 VAL 78 1HG1 VAL 78 5.993 -1.245 3.487 598 HG12 VAL 78 2HG1 VAL 78 6.379 -0.598 1.889 599 HG13 VAL 78 3HG1 VAL 78 6.606 -2.315 2.226 600 HG21 VAL 78 3HG2 VAL 78 3.762 0.228 2.377 601 HG22 VAL 78 1HG2 VAL 78 2.916 -0.636 1.100 602 HG23 VAL 78 2HG2 VAL 78 4.501 0.073 0.789 603 H ALA 79 H ALA 79 2.969 -1.729 -0.885 604 HA ALA 79 HA ALA 79 0.536 -2.837 0.159 605 HB1 ALA 79 1HB ALA 79 -0.527 -1.592 -1.414 606 HB2 ALA 79 2HB ALA 79 0.628 -1.997 -2.690 607 HB3 ALA 79 3HB ALA 79 1.032 -0.789 -1.480 608 H ALA 80 H ALA 80 2.477 -3.677 -2.708 609 HA ALA 80 HA ALA 80 0.838 -5.816 -3.559 610 HB1 ALA 80 1HB ALA 80 2.944 -6.561 -4.765 611 HB2 ALA 80 2HB ALA 80 3.764 -5.195 -4.007 612 HB3 ALA 80 3HB ALA 80 2.415 -4.912 -5.109 613 H LEU 81 H LEU 81 3.629 -5.607 -1.351 614 HA LEU 81 HA LEU 81 3.746 -8.415 -0.900 615 HB2 LEU 81 2HB LEU 81 4.904 -6.032 0.460 616 HB3 LEU 81 1HB LEU 81 4.813 -7.534 1.374 617 HG LEU 81 HG LEU 81 6.039 -8.721 -0.391 618 HD11 LEU 81 1HD1 LEU 81 6.849 -7.725 -2.363 619 HD12 LEU 81 2HD1 LEU 81 6.522 -6.099 -1.789 620 HD13 LEU 81 3HD1 LEU 81 5.193 -7.149 -2.259 621 HD21 LEU 81 3HD2 LEU 81 7.411 -6.143 0.421 622 HD22 LEU 81 1HD2 LEU 81 8.219 -7.616 -0.115 623 HD23 LEU 81 2HD2 LEU 81 7.315 -7.607 1.399 624 H THR 82 H THR 82 1.816 -5.802 0.512 625 HA THR 82 HA THR 82 0.850 -7.272 2.736 626 HB THR 82 HB THR 82 -0.608 -5.142 1.153 627 HG1 THR 82 1HG THR 82 0.615 -4.376 3.442 628 HG21 THR 82 3HG2 THR 82 -1.080 -6.548 3.716 629 HG22 THR 82 1HG2 THR 82 -2.221 -5.720 2.654 630 HG23 THR 82 2HG2 THR 82 -1.231 -4.795 3.784 631 H VAL 83 H VAL 83 -0.593 -6.786 -0.513 632 HA VAL 83 HA VAL 83 -2.784 -8.539 0.018 633 HB VAL 83 HB VAL 83 -2.882 -6.941 -1.860 634 HG11 VAL 83 1HG1 VAL 83 -1.676 -7.233 -3.872 635 HG12 VAL 83 2HG1 VAL 83 -1.120 -8.839 -3.411 636 HG13 VAL 83 3HG1 VAL 83 -0.479 -7.415 -2.616 637 HG21 VAL 83 3HG2 VAL 83 -3.086 -9.683 -3.071 638 HG22 VAL 83 1HG2 VAL 83 -4.207 -8.323 -3.190 639 HG23 VAL 83 2HG2 VAL 83 -4.115 -9.260 -1.699 640 H ALA 84 H ALA 84 0.440 -9.125 -1.318 641 HA ALA 84 HA ALA 84 -0.025 -11.837 -2.016 642 HB1 ALA 84 1HB ALA 84 1.930 -10.359 -2.719 643 HB2 ALA 84 2HB ALA 84 2.329 -12.013 -2.252 644 HB3 ALA 84 3HB ALA 84 2.617 -10.685 -1.127 645 H CYS 85 H CHC 85 0.885 -10.186 0.938 646 HA CYS 85 HA CHC 85 1.675 -12.421 2.456 647 HB2 CYS 85 2HB CHC 85 2.073 -10.061 3.139 648 HB3 CYS 85 1HB CHC 85 0.345 -9.883 3.431 649 H ASN 86 H ASN 86 -1.452 -10.676 2.327 650 HA ASN 86 HA ASN 86 -2.822 -12.498 3.977 651 HB2 ASN 86 2HB ASN 86 -3.734 -10.304 3.178 652 HB3 ASN 86 1HB ASN 86 -4.004 -11.047 1.604 653 HD21 ASN 86 1HD2 ASN 86 -4.830 -11.502 5.081 654 HD22 ASN 86 2HD2 ASN 86 -6.334 -12.227 4.778 655 H ASN 87 H ASN 87 -2.175 -12.523 0.480 656 HA ASN 87 HA ASN 87 -3.746 -14.763 -0.186 657 HB2 ASN 87 2HB ASN 87 -1.144 -13.788 -1.381 658 HB3 ASN 87 1HB ASN 87 -2.188 -15.003 -2.114 659 HD21 ASN 87 1HD2 ASN 87 -1.647 -12.516 -3.430 660 HD22 ASN 87 2HD2 ASN 87 -3.087 -11.619 -3.485 661 H PHE 88 H PHE 88 -0.398 -14.577 1.047 662 HA PHE 88 HA PHE 88 0.054 -17.381 0.808 663 HB2 PHE 88 2HB PHE 88 1.455 -15.285 2.464 664 HB3 PHE 88 1HB PHE 88 1.934 -16.982 2.450 665 HD1 PHE 88 1HD PHE 88 2.197 -18.044 0.034 666 HD2 PHE 88 2HD PHE 88 2.459 -13.850 0.904 667 HE1 PHE 88 1HE PHE 88 3.497 -17.693 -2.047 668 HE2 PHE 88 2HE PHE 88 3.740 -13.492 -1.186 669 HZ PHE 88 HZ PHE 88 4.263 -15.415 -2.661 670 H PHE 89 H PHE 89 -1.128 -15.341 3.471 671 HA PHE 89 HA PHE 89 -1.094 -17.380 5.424 672 HB2 PHE 89 2HB PHE 89 -1.376 -14.963 5.922 673 HB3 PHE 89 1HB PHE 89 -2.999 -15.036 5.235 674 HD1 PHE 89 2HD PHE 89 -0.823 -16.258 7.975 675 HD2 PHE 89 1HD PHE 89 -4.823 -16.062 6.423 676 HE1 PHE 89 2HE PHE 89 -1.703 -17.091 10.138 677 HE2 PHE 89 1HE PHE 89 -5.704 -16.896 8.586 678 HZ PHE 89 HZ PHE 89 -4.144 -17.411 10.444 679 H TRP 90 H TRP 90 -3.820 -16.207 3.408 680 HA TRP 90 HA TRP 90 -5.609 -18.241 4.283 681 HB2 TRP 90 2HB TRP 90 -6.412 -16.135 3.317 682 HB3 TRP 90 1HB TRP 90 -5.752 -16.629 1.751 683 HD1 TRP 90 HD TRP 90 -6.684 -18.866 0.702 684 HE1 TRP 90 1HE TRP 90 -8.999 -19.989 0.850 685 HE3 TRP 90 3HE TRP 90 -8.486 -16.520 4.838 686 HZ2 TRP 90 2HZ TRP 90 -11.321 -19.894 2.536 687 HZ3 TRP 90 3HZ TRP 90 -10.746 -17.054 5.709 688 HH2 TRP 90 HH TRP 90 -12.165 -18.737 4.564 689 H GLU 91 H GLU 91 -3.477 -17.954 1.515 690 HA GLU 91 HA GLU 91 -4.314 -20.618 0.603 691 HB2 GLU 91 2HB GLU 91 -4.004 -18.314 -0.757 692 HB3 GLU 91 1HB GLU 91 -2.382 -18.972 -0.951 693 HG2 GLU 91 2HG GLU 91 -4.921 -20.520 -1.572 694 HG3 GLU 91 1HG GLU 91 -3.974 -19.652 -2.780 695 H ASN 92 H ASN 92 -2.960 -22.341 0.499 696 HA ASN 92 HA ASN 92 -0.325 -22.034 1.793 697 HB2 ASN 92 2HB ASN 92 -1.938 -23.638 2.801 698 HB3 ASN 92 1HB ASN 92 -1.931 -24.550 1.293 699 HD21 ASN 92 1HD2 ASN 92 0.315 -23.357 3.842 700 HD22 ASN 92 2HD2 ASN 92 1.414 -24.640 3.677 701 H SER 93 H SER 93 1.420 -22.060 0.541 702 HA SER 93 HA SER 93 1.608 -23.877 -1.716 703 HB2 SER 93 2HB SER 93 0.513 -21.631 -2.473 704 HB3 SER 93 1HB SER 93 2.143 -20.983 -2.311 705 HG SER 93 HG SER 93 2.812 -22.754 -3.683 706 H1 GLY 1 H GLY 1 7.091 -7.786 16.450 707 HA2 GLY 1 2HA GLY 1 5.160 -7.947 14.228 708 HA3 GLY 1 1HA GLY 1 4.575 -7.500 15.829 709 H SER 2 H SER 2 6.878 -6.565 13.297 710 HA SER 2 HA SER 2 7.554 -4.033 14.349 711 HB2 SER 2 2HB SER 2 7.472 -4.891 11.448 712 HB3 SER 2 1HB SER 2 8.374 -3.535 12.114 713 HG SER 2 HG SER 2 9.269 -5.308 13.559 714 H GLU 3 H GLU 3 6.837 -1.920 13.653 715 HA GLU 3 HA GLU 3 4.040 -1.609 13.653 716 HB2 GLU 3 2HB GLU 3 6.231 0.305 12.838 717 HB3 GLU 3 1HB GLU 3 4.545 0.768 13.040 718 HG2 GLU 3 2HG GLU 3 5.474 1.274 15.131 719 HG3 GLU 3 1HG GLU 3 4.771 -0.319 15.395 720 H LEU 4 H LEU 4 6.374 -1.644 10.968 721 HA LEU 4 HA LEU 4 4.598 -0.702 8.990 722 HB2 LEU 4 2HB LEU 4 7.153 -1.178 8.872 723 HB3 LEU 4 1HB LEU 4 6.679 -2.830 8.485 724 HG LEU 4 HG LEU 4 5.561 -0.458 6.970 725 HD11 LEU 4 1HD1 LEU 4 8.066 -0.404 6.887 726 HD12 LEU 4 2HD1 LEU 4 7.290 -0.633 5.322 727 HD13 LEU 4 3HD1 LEU 4 8.028 -2.005 6.143 728 HD21 LEU 4 3HD2 LEU 4 5.999 -2.818 5.370 729 HD22 LEU 4 1HD2 LEU 4 4.499 -1.977 5.739 730 HD23 LEU 4 2HD2 LEU 4 5.080 -3.252 6.803 731 H GLU 5 H GLU 5 5.243 -3.910 10.345 732 HA GLU 5 HA GLU 5 3.515 -5.371 8.634 733 HB2 GLU 5 2HB GLU 5 4.456 -5.941 11.452 734 HB3 GLU 5 1HB GLU 5 3.540 -7.081 10.470 735 HG2 GLU 5 2HG GLU 5 5.314 -6.983 8.749 736 HG3 GLU 5 1HG GLU 5 6.241 -5.901 9.787 737 H THR 6 H THR 6 3.034 -3.637 11.681 738 HA THR 6 HA THR 6 0.429 -4.549 12.224 739 HB THR 6 HB THR 6 1.549 -1.786 12.767 740 HG1 THR 6 1HG THR 6 2.038 -4.283 13.840 741 HG21 THR 6 3HG2 THR 6 -0.896 -2.040 13.085 742 HG22 THR 6 1HG2 THR 6 -0.059 -1.788 14.616 743 HG23 THR 6 2HG2 THR 6 -0.601 -3.404 14.162 744 H ALA 7 H ALA 7 1.673 -1.907 10.236 745 HA ALA 7 HA ALA 7 -0.865 -0.852 9.486 746 HB1 ALA 7 1HB ALA 7 1.552 0.102 9.145 747 HB2 ALA 7 2HB ALA 7 0.293 0.468 7.966 748 HB3 ALA 7 3HB ALA 7 1.485 -0.787 7.626 749 H MET 8 H MET 8 1.289 -3.235 7.961 750 HA MET 8 HA MET 8 -0.251 -3.703 5.638 751 HB2 MET 8 2HB MET 8 1.623 -5.488 7.225 752 HB3 MET 8 1HB MET 8 0.984 -5.909 5.637 753 HG2 MET 8 2HG MET 8 1.995 -3.878 4.675 754 HG3 MET 8 1HG MET 8 2.625 -3.420 6.245 755 HE1 MET 8 3HE MET 8 2.715 -5.596 3.232 756 HE2 MET 8 1HE MET 8 2.509 -6.982 4.313 757 HE3 MET 8 2HE MET 8 4.025 -6.750 3.448 758 H GLU 9 H GLU 9 -0.345 -5.149 8.872 759 HA GLU 9 HA GLU 9 -2.366 -7.056 8.302 760 HB2 GLU 9 2HB GLU 9 -1.523 -5.771 10.907 761 HB3 GLU 9 1HB GLU 9 -2.706 -7.073 10.789 762 HG2 GLU 9 2HG GLU 9 -1.013 -8.496 9.675 763 HG3 GLU 9 1HG GLU 9 0.172 -7.209 9.848 764 H THR 10 H THR 10 -2.406 -3.662 9.310 765 HA THR 10 HA THR 10 -5.175 -3.549 9.893 766 HB THR 10 HB THR 10 -3.461 -1.340 8.763 767 HG1 THR 10 1HG THR 10 -2.506 -2.120 10.613 768 HG21 THR 10 3HG2 THR 10 -5.857 -0.854 8.714 769 HG22 THR 10 1HG2 THR 10 -5.087 0.100 9.983 770 HG23 THR 10 2HG2 THR 10 -6.011 -1.342 10.403 771 H LEU 11 H LEU 11 -3.342 -3.008 6.861 772 HA LEU 11 HA LEU 11 -5.589 -2.245 5.313 773 HB2 LEU 11 2HB LEU 11 -3.184 -3.801 4.337 774 HB3 LEU 11 1HB LEU 11 -4.268 -2.825 3.357 775 HG LEU 11 HG LEU 11 -2.343 -1.840 5.474 776 HD11 LEU 11 1HD1 LEU 11 -1.449 -0.559 3.485 777 HD12 LEU 11 2HD1 LEU 11 -2.508 -1.543 2.475 778 HD13 LEU 11 3HD1 LEU 11 -1.224 -2.307 3.411 779 HD21 LEU 11 3HD2 LEU 11 -4.576 -0.430 4.018 780 HD22 LEU 11 1HD2 LEU 11 -3.135 0.449 4.520 781 HD23 LEU 11 2HD2 LEU 11 -4.140 -0.342 5.729 782 H ILE 12 H ILE 12 -4.116 -5.381 6.039 783 HA ILE 12 HA ILE 12 -5.863 -6.910 4.405 784 HB ILE 12 HB ILE 12 -4.412 -7.698 6.939 785 HG12 ILE 12 2HG1 ILE 12 -3.720 -8.219 4.035 786 HG13 ILE 12 1HG1 ILE 12 -3.014 -6.925 4.973 787 HG21 ILE 12 1HG2 ILE 12 -6.233 -9.243 6.536 788 HG22 ILE 12 2HG2 ILE 12 -4.729 -10.020 6.038 789 HG23 ILE 12 3HG2 ILE 12 -5.820 -9.350 4.825 790 HD11 ILE 12 3HD1 ILE 12 -1.948 -8.455 6.462 791 HD12 ILE 12 1HD1 ILE 12 -1.665 -9.095 4.841 792 HD13 ILE 12 2HD1 ILE 12 -2.912 -9.807 5.868 793 H ASN 13 H ASN 13 -6.054 -6.013 7.821 794 HA ASN 13 HA ASN 13 -8.426 -7.376 8.424 795 HB2 ASN 13 2HB ASN 13 -7.221 -4.894 9.639 796 HB3 ASN 13 1HB ASN 13 -8.571 -5.786 10.339 797 HD21 ASN 13 1HD2 ASN 13 -6.090 -5.540 11.740 798 HD22 ASN 13 2HD2 ASN 13 -5.363 -7.072 11.813 799 H VAL 14 H VAL 14 -7.978 -4.024 7.194 800 HA VAL 14 HA VAL 14 -10.782 -3.512 7.463 801 HB VAL 14 HB VAL 14 -10.456 -1.420 6.325 802 HG11 VAL 14 1HG1 VAL 14 -9.431 -2.019 8.717 803 HG12 VAL 14 2HG1 VAL 14 -9.222 -0.426 7.994 804 HG13 VAL 14 3HG1 VAL 14 -7.924 -1.612 7.898 805 HG21 VAL 14 3HG2 VAL 14 -8.006 -0.885 5.603 806 HG22 VAL 14 1HG2 VAL 14 -9.035 -1.796 4.495 807 HG23 VAL 14 2HG2 VAL 14 -7.842 -2.629 5.476 808 H PHE 15 H PHE 15 -8.731 -4.597 4.724 809 HA PHE 15 HA PHE 15 -10.819 -4.435 2.802 810 HB2 PHE 15 2HB PHE 15 -8.504 -4.829 2.106 811 HB3 PHE 15 1HB PHE 15 -8.522 -6.408 2.901 812 HD1 PHE 15 1HD PHE 15 -10.241 -4.393 0.247 813 HD2 PHE 15 2HD PHE 15 -9.425 -8.299 1.842 814 HE1 PHE 15 1HE PHE 15 -11.321 -5.438 -1.733 815 HE2 PHE 15 2HE PHE 15 -10.492 -9.334 -0.140 816 HZ PHE 15 HZ PHE 15 -11.440 -7.903 -1.928 817 H HIS 16 H HIS 16 -9.773 -7.094 4.926 818 HA HIS 16 HA HIS 16 -11.816 -8.908 4.116 819 HB2 HIS 16 2HB HIS 16 -9.769 -9.600 5.367 820 HB3 HIS 16 1HB HIS 16 -10.395 -8.763 6.788 821 HD1 HIS 16 1HD HIS 16 -11.659 -11.400 4.323 822 HD2 HIS 16 2HD HIS 16 -11.911 -10.436 8.371 823 HE1 HIS 16 1HE HIS 16 -13.038 -13.225 5.410 824 HE2 HIS 16 2HE HIS 16 -13.202 -12.651 7.878 825 H ALA 17 H ALA 17 -11.687 -6.343 6.526 826 HA ALA 17 HA ALA 17 -14.002 -6.995 7.934 827 HB1 ALA 17 1HB ALA 17 -12.397 -4.964 8.281 828 HB2 ALA 17 2HB ALA 17 -14.107 -4.718 8.600 829 HB3 ALA 17 3HB ALA 17 -13.404 -4.119 7.080 830 H HIS 18 H HIS 18 -13.552 -5.010 5.065 831 HA HIS 18 HA HIS 18 -16.354 -4.639 4.690 832 HB2 HIS 18 2HB HIS 18 -14.641 -3.063 4.178 833 HB3 HIS 18 1HB HIS 18 -13.965 -4.142 2.979 834 HD1 HIS 18 1HD HIS 18 -14.509 -3.203 0.830 835 HD2 HIS 18 2HD HIS 18 -17.736 -3.029 3.432 836 HE1 HIS 18 1HE HIS 18 -16.463 -2.477 -0.540 837 HE2 HIS 18 2HE HIS 18 -18.435 -2.231 1.057 838 H SER 19 H SER 19 -13.960 -6.441 2.604 839 HA SER 19 HA SER 19 -15.931 -7.331 0.810 840 HB2 SER 19 2HB SER 19 -13.475 -7.541 0.364 841 HB3 SER 19 1HB SER 19 -13.415 -8.858 1.521 842 HG SER 19 HG SER 19 -15.357 -9.562 0.001 843 H GLY 20 H GLY 20 -14.635 -8.654 3.807 844 HA2 GLY 20 2HA GLY 20 -16.105 -11.078 3.887 845 HA3 GLY 20 1HA GLY 20 -15.357 -10.278 5.244 846 H LYS 21 H LYS 21 -16.670 -7.849 5.216 847 HA LYS 21 HA LYS 21 -19.002 -8.485 6.676 848 HB2 LYS 21 2HB LYS 21 -17.869 -6.374 6.988 849 HB3 LYS 21 1HB LYS 21 -18.311 -5.853 5.364 850 HG2 LYS 21 2HG LYS 21 -20.695 -5.976 6.015 851 HG3 LYS 21 1HG LYS 21 -20.219 -6.520 7.626 852 HD2 LYS 21 2HD LYS 21 -20.599 -4.143 7.749 853 HD3 LYS 21 1HD LYS 21 -18.864 -4.404 7.850 854 HE2 LYS 21 2HE LYS 21 -19.769 -4.122 5.074 855 HE3 LYS 21 1HE LYS 21 -20.161 -2.706 6.054 856 HZ1 LYS 21 3HZ LYS 21 -17.867 -2.614 6.791 857 HZ2 LYS 21 1HZ LYS 21 -17.957 -2.523 5.101 858 HZ3 LYS 21 2HZ LYS 21 -17.486 -3.974 5.847 859 H GLU 22 H GLU 22 -18.796 -7.359 3.250 860 HA GLU 22 HA GLU 22 -21.625 -8.258 3.034 861 HB2 GLU 22 2HB GLU 22 -21.506 -5.797 3.209 862 HB3 GLU 22 1HB GLU 22 -20.519 -5.767 1.747 863 HG2 GLU 22 2HG GLU 22 -22.348 -6.918 0.516 864 HG3 GLU 22 1HG GLU 22 -23.339 -6.860 1.972 865 H GLY 23 H GLY 23 -22.294 -9.243 1.239 866 HA2 GLY 23 2HA GLY 23 -22.242 -10.375 -0.749 867 HA3 GLY 23 1HA GLY 23 -21.060 -9.191 -1.282 868 H ASP 24 H ASP 24 -19.475 -10.265 -2.189 869 HA ASP 24 HA ASP 24 -18.629 -12.880 -1.319 870 HB2 ASP 24 2HB ASP 24 -18.645 -12.201 -3.704 871 HB3 ASP 24 1HB ASP 24 -17.385 -11.031 -3.343 872 H LYS 25 H LYS 25 -17.165 -13.307 0.139 873 HA LYS 25 HA LYS 25 -15.970 -11.391 1.732 874 HB2 LYS 25 2HB LYS 25 -15.111 -14.253 1.315 875 HB3 LYS 25 1HB LYS 25 -14.640 -13.226 2.676 876 HG2 LYS 25 2HG LYS 25 -17.131 -12.925 3.194 877 HG3 LYS 25 1HG LYS 25 -17.463 -14.175 1.999 878 HD2 LYS 25 2HD LYS 25 -15.650 -14.549 4.402 879 HD3 LYS 25 1HD LYS 25 -17.334 -15.062 4.332 880 HE2 LYS 25 2HE LYS 25 -16.506 -16.261 2.099 881 HE3 LYS 25 1HE LYS 25 -14.948 -16.191 2.926 882 HZ1 LYS 25 3HZ LYS 25 -16.847 -16.997 4.790 883 HZ2 LYS 25 1HZ LYS 25 -15.579 -17.913 4.135 884 HZ3 LYS 25 2HZ LYS 25 -17.107 -17.929 3.393 885 H TYR 26 H TYR 26 -14.693 -12.904 -1.173 886 HA TYR 26 HA TYR 26 -12.129 -11.499 -0.730 887 HB2 TYR 26 2HB TYR 26 -12.808 -13.787 -2.581 888 HB3 TYR 26 1HB TYR 26 -11.221 -13.032 -2.435 889 HD1 TYR 26 2HD TYR 26 -10.007 -13.101 -0.239 890 HD2 TYR 26 1HD TYR 26 -13.581 -15.370 -0.967 891 HE1 TYR 26 2HE TYR 26 -9.492 -14.539 1.713 892 HE2 TYR 26 1HE TYR 26 -13.064 -16.808 0.986 893 HH TYR 26 HH TYR 26 -11.548 -17.320 2.534 894 H LYS 27 H LYS 27 -14.762 -10.347 -1.963 895 HA LYS 27 HA LYS 27 -13.309 -9.109 -4.196 896 HB2 LYS 27 2HB LYS 27 -14.734 -11.083 -5.096 897 HB3 LYS 27 1HB LYS 27 -16.100 -10.027 -4.772 898 HG2 LYS 27 2HG LYS 27 -15.570 -9.557 -7.018 899 HG3 LYS 27 1HG LYS 27 -14.809 -8.243 -6.121 900 HD2 LYS 27 2HD LYS 27 -12.627 -9.295 -6.280 901 HD3 LYS 27 1HD LYS 27 -13.332 -10.783 -6.896 902 HE2 LYS 27 2HE LYS 27 -14.123 -9.457 -8.887 903 HE3 LYS 27 1HE LYS 27 -13.176 -8.099 -8.272 904 HZ1 LYS 27 3HZ LYS 27 -11.271 -9.771 -8.211 905 HZ2 LYS 27 1HZ LYS 27 -11.742 -9.168 -9.724 906 HZ3 LYS 27 2HZ LYS 27 -12.232 -10.721 -9.240 907 H LEU 28 H LEU 28 -13.936 -7.013 -4.677 908 HA LEU 28 HA LEU 28 -15.780 -5.897 -2.646 909 HB2 LEU 28 2HB LEU 28 -13.134 -5.395 -3.054 910 HB3 LEU 28 1HB LEU 28 -13.849 -4.193 -4.083 911 HG LEU 28 HG LEU 28 -15.280 -3.417 -2.194 912 HD11 LEU 28 1HD1 LEU 28 -15.455 -4.776 -0.375 913 HD12 LEU 28 2HD1 LEU 28 -13.794 -4.357 0.036 914 HD13 LEU 28 3HD1 LEU 28 -14.123 -5.785 -0.919 915 HD21 LEU 28 3HD2 LEU 28 -12.335 -3.336 -1.467 916 HD22 LEU 28 1HD2 LEU 28 -13.550 -2.103 -1.162 917 HD23 LEU 28 2HD2 LEU 28 -13.001 -2.413 -2.811 918 H SER 29 H SER 29 -17.607 -4.941 -3.347 919 HA SER 29 HA SER 29 -17.950 -4.471 -6.233 920 HB2 SER 29 2HB SER 29 -19.563 -6.007 -5.117 921 HB3 SER 29 1HB SER 29 -20.067 -4.675 -4.090 922 HG SER 29 HG SER 29 -21.418 -4.836 -5.896 923 H LYS 30 H LYS 30 -19.092 -2.516 -6.914 924 HA LYS 30 HA LYS 30 -17.999 -0.166 -5.969 925 HB2 LYS 30 2HB LYS 30 -19.234 -0.441 -8.112 926 HB3 LYS 30 1HB LYS 30 -20.734 -0.426 -7.183 927 HG2 LYS 30 2HG LYS 30 -20.073 1.815 -6.254 928 HG3 LYS 30 1HG LYS 30 -18.677 1.792 -7.327 929 HD2 LYS 30 2HD LYS 30 -20.399 3.023 -8.437 930 HD3 LYS 30 1HD LYS 30 -20.269 1.467 -9.252 931 HE2 LYS 30 2HE LYS 30 -22.164 1.444 -6.967 932 HE3 LYS 30 1HE LYS 30 -22.633 2.529 -8.285 933 HZ1 LYS 30 3HZ LYS 30 -22.505 -0.350 -8.231 934 HZ2 LYS 30 1HZ LYS 30 -21.817 0.342 -9.618 935 HZ3 LYS 30 2HZ LYS 30 -23.431 0.681 -9.214 936 H LYS 31 H LYS 31 -21.200 -1.491 -5.245 937 HA LYS 31 HA LYS 31 -22.086 0.615 -3.647 938 HB2 LYS 31 2HB LYS 31 -23.750 -0.947 -2.845 939 HB3 LYS 31 1HB LYS 31 -23.455 -1.296 -4.551 940 HG2 LYS 31 2HG LYS 31 -21.791 -3.058 -3.815 941 HG3 LYS 31 1HG LYS 31 -22.343 -2.770 -2.162 942 HD2 LYS 31 2HD LYS 31 -24.625 -3.223 -2.896 943 HD3 LYS 31 1HD LYS 31 -24.013 -3.758 -4.452 944 HE2 LYS 31 2HE LYS 31 -22.691 -5.496 -3.350 945 HE3 LYS 31 1HE LYS 31 -23.199 -4.913 -1.765 946 HZ1 LYS 31 3HZ LYS 31 -25.530 -5.354 -2.514 947 HZ2 LYS 31 1HZ LYS 31 -24.573 -6.738 -2.297 948 HZ3 LYS 31 2HZ LYS 31 -24.881 -6.157 -3.864 949 H GLU 32 H GLU 32 -20.491 -2.433 -2.816 950 HA GLU 32 HA GLU 32 -20.356 -2.063 -0.032 951 HB2 GLU 32 2HB GLU 32 -18.505 -3.589 -1.885 952 HB3 GLU 32 1HB GLU 32 -18.533 -3.776 -0.146 953 HG2 GLU 32 2HG GLU 32 -20.919 -4.444 -0.268 954 HG3 GLU 32 1HG GLU 32 -20.799 -4.404 -2.017 955 H LEU 33 H LEU 33 -17.795 -1.303 -2.511 956 HA LEU 33 HA LEU 33 -16.020 -0.340 -0.526 957 HB2 LEU 33 2HB LEU 33 -14.788 0.832 -2.328 958 HB3 LEU 33 1HB LEU 33 -15.025 -0.884 -2.573 959 HG LEU 33 HG LEU 33 -17.225 0.064 -3.852 960 HD11 LEU 33 1HD1 LEU 33 -16.670 2.024 -5.156 961 HD12 LEU 33 2HD1 LEU 33 -15.028 2.051 -4.529 962 HD13 LEU 33 3HD1 LEU 33 -16.387 2.441 -3.469 963 HD21 LEU 33 3HD2 LEU 33 -14.434 -0.632 -4.727 964 HD22 LEU 33 1HD2 LEU 33 -15.574 -0.069 -5.942 965 HD23 LEU 33 2HD2 LEU 33 -15.934 -1.517 -4.989 966 H LYS 34 H LYS 34 -18.654 1.230 -2.238 967 HA LYS 34 HA LYS 34 -17.969 3.855 -1.534 968 HB2 LYS 34 2HB LYS 34 -19.960 3.267 -2.901 969 HB3 LYS 34 1HB LYS 34 -20.728 2.594 -1.466 970 HG2 LYS 34 2HG LYS 34 -21.608 4.801 -1.688 971 HG3 LYS 34 1HG LYS 34 -20.419 4.897 -0.391 972 HD2 LYS 34 2HD LYS 34 -18.787 5.887 -1.842 973 HD3 LYS 34 1HD LYS 34 -19.757 5.538 -3.263 974 HE2 LYS 34 2HE LYS 34 -19.766 7.924 -1.806 975 HE3 LYS 34 1HE LYS 34 -20.964 7.445 -3.007 976 HZ1 LYS 34 3HZ LYS 34 -22.400 6.675 -1.397 977 HZ2 LYS 34 1HZ LYS 34 -21.733 8.039 -0.641 978 HZ3 LYS 34 2HZ LYS 34 -21.181 6.486 -0.230 979 H GLU 35 H GLU 35 -19.324 1.168 0.360 980 HA GLU 35 HA GLU 35 -19.742 2.769 2.717 981 HB2 GLU 35 2HB GLU 35 -19.651 -0.222 2.311 982 HB3 GLU 35 1HB GLU 35 -20.078 0.568 3.828 983 HG2 GLU 35 2HG GLU 35 -21.913 1.768 2.666 984 HG3 GLU 35 1HG GLU 35 -21.511 0.911 1.179 985 H LEU 36 H LEU 36 -17.128 0.467 1.693 986 HA LEU 36 HA LEU 36 -15.780 0.510 4.210 987 HB2 LEU 36 2HB LEU 36 -15.269 -0.973 2.173 988 HB3 LEU 36 1HB LEU 36 -14.284 0.352 1.604 989 HG LEU 36 HG LEU 36 -13.892 -1.086 4.311 990 HD11 LEU 36 1HD1 LEU 36 -11.872 -1.121 2.105 991 HD12 LEU 36 2HD1 LEU 36 -13.288 -2.134 1.895 992 HD13 LEU 36 3HD1 LEU 36 -12.250 -2.346 3.308 993 HD21 LEU 36 3HD2 LEU 36 -12.961 1.005 4.704 994 HD22 LEU 36 1HD2 LEU 36 -12.597 1.311 3.010 995 HD23 LEU 36 2HD2 LEU 36 -11.594 0.211 3.942 996 H LEU 37 H LEU 37 -15.275 2.590 1.295 997 HA LEU 37 HA LEU 37 -13.118 4.013 2.438 998 HB2 LEU 37 2HB LEU 37 -15.080 4.790 0.285 999 HB3 LEU 37 1HB LEU 37 -13.791 5.864 0.810 1000 HG LEU 37 HG LEU 37 -13.331 4.340 -1.230 1001 HD11 LEU 37 1HD1 LEU 37 -11.339 4.068 1.033 1002 HD12 LEU 37 2HD1 LEU 37 -11.618 5.594 0.191 1003 HD13 LEU 37 3HD1 LEU 37 -11.012 4.198 -0.696 1004 HD21 LEU 37 3HD2 LEU 37 -12.651 2.082 -0.773 1005 HD22 LEU 37 1HD2 LEU 37 -14.255 2.301 -0.096 1006 HD23 LEU 37 2HD2 LEU 37 -12.854 2.314 0.959 1007 H GLN 38 H GLN 38 -16.608 4.680 2.499 1008 HA GLN 38 HA GLN 38 -16.377 7.133 3.881 1009 HB2 GLN 38 2HB GLN 38 -18.639 5.133 3.770 1010 HB3 GLN 38 1HB GLN 38 -18.765 6.725 4.517 1011 HG2 GLN 38 2HG GLN 38 -18.197 7.803 2.394 1012 HG3 GLN 38 1HG GLN 38 -17.983 6.235 1.618 1013 HE21 GLN 38 1HE2 GLN 38 -19.905 8.106 0.642 1014 HE22 GLN 38 2HE2 GLN 38 -21.457 7.482 0.927 1015 H THR 39 H THR 39 -16.558 3.781 5.005 1016 HA THR 39 HA THR 39 -16.823 4.458 7.771 1017 HB THR 39 HB THR 39 -16.316 2.106 8.190 1018 HG1 THR 39 1HG THR 39 -15.808 0.810 6.339 1019 HG21 THR 39 3HG2 THR 39 -18.313 3.009 6.219 1020 HG22 THR 39 1HG2 THR 39 -18.511 1.966 7.628 1021 HG23 THR 39 2HG2 THR 39 -17.933 1.292 6.106 1022 H GLU 40 H GLU 40 -14.047 3.915 5.656 1023 HA GLU 40 HA GLU 40 -12.233 4.243 7.956 1024 HB2 GLU 40 2HB GLU 40 -11.801 3.201 5.162 1025 HB3 GLU 40 1HB GLU 40 -10.484 3.528 6.278 1026 HG2 GLU 40 2HG GLU 40 -12.810 1.678 6.869 1027 HG3 GLU 40 1HG GLU 40 -11.217 1.143 6.334 1028 H LEU 41 H LEU 41 -12.348 5.400 4.551 1029 HA LEU 41 HA LEU 41 -10.779 7.737 5.408 1030 HB2 LEU 41 2HB LEU 41 -11.529 6.920 2.594 1031 HB3 LEU 41 1HB LEU 41 -10.346 8.132 3.065 1032 HG LEU 41 HG LEU 41 -10.160 5.135 3.493 1033 HD11 LEU 41 1HD1 LEU 41 -9.581 6.448 1.251 1034 HD12 LEU 41 2HD1 LEU 41 -8.550 5.141 1.829 1035 HD13 LEU 41 3HD1 LEU 41 -8.096 6.819 2.123 1036 HD21 LEU 41 3HD2 LEU 41 -8.523 7.407 4.617 1037 HD22 LEU 41 1HD2 LEU 41 -7.778 5.844 4.296 1038 HD23 LEU 41 2HD2 LEU 41 -9.115 5.954 5.435 1039 H SER 42 H SER 42 -11.445 9.819 5.195 1040 HA SER 42 HA SER 42 -14.323 10.174 4.596 1041 HB2 SER 42 2HB SER 42 -14.303 12.047 6.105 1042 HB3 SER 42 1HB SER 42 -13.565 10.680 6.932 1043 HG SER 42 HG SER 42 -12.382 12.690 7.092 1044 H GLY 43 H GLY 43 -11.662 12.483 4.815 1045 HA2 GLY 43 2HA GLY 43 -12.551 14.177 2.810 1046 HA3 GLY 43 1HA GLY 43 -10.899 14.098 3.392 1047 H PHE 44 H PHE 44 -10.387 11.349 2.454 1048 HA PHE 44 HA PHE 44 -9.425 11.993 -0.104 1049 HB2 PHE 44 2HB PHE 44 -9.920 9.303 1.171 1050 HB3 PHE 44 1HB PHE 44 -9.049 9.527 -0.343 1051 HD1 PHE 44 1HD PHE 44 -6.889 10.736 -0.390 1052 HD2 PHE 44 2HD PHE 44 -8.929 9.903 3.303 1053 HE1 PHE 44 1HE PHE 44 -4.814 11.235 0.875 1054 HE2 PHE 44 2HE PHE 44 -6.854 10.401 4.561 1055 HZ PHE 44 HZ PHE 44 -4.798 11.065 3.348 1056 H LEU 45 H LEU 45 -12.080 9.678 0.630 1057 HA LEU 45 HA LEU 45 -12.863 9.533 -2.127 1058 HB2 LEU 45 2HB LEU 45 -13.201 7.856 -0.106 1059 HB3 LEU 45 1HB LEU 45 -14.689 8.763 0.123 1060 HG LEU 45 HG LEU 45 -15.234 6.898 -1.298 1061 HD11 LEU 45 1HD1 LEU 45 -16.158 7.992 -3.179 1062 HD12 LEU 45 2HD1 LEU 45 -14.838 9.157 -3.260 1063 HD13 LEU 45 3HD1 LEU 45 -16.031 9.263 -1.962 1064 HD21 LEU 45 3HD2 LEU 45 -13.283 7.663 -3.434 1065 HD22 LEU 45 1HD2 LEU 45 -13.922 6.079 -3.003 1066 HD23 LEU 45 2HD2 LEU 45 -12.652 6.809 -2.026 1067 H ASP 46 H ASP 46 -13.973 11.256 0.711 1068 HA ASP 46 HA ASP 46 -16.309 12.435 -0.333 1069 HB2 ASP 46 2HB ASP 46 -15.732 12.323 2.081 1070 HB3 ASP 46 1HB ASP 46 -14.499 13.555 1.809 1071 H ALA 47 H ALA 47 -12.955 13.251 -0.693 1072 HA ALA 47 HA ALA 47 -13.038 15.951 -1.227 1073 HB1 ALA 47 1HB ALA 47 -11.084 15.405 -2.832 1074 HB2 ALA 47 2HB ALA 47 -11.304 13.742 -2.291 1075 HB3 ALA 47 3HB ALA 47 -10.904 15.002 -1.125 1076 H GLN 48 H GLN 48 -14.195 13.342 -3.289 1077 HA GLN 48 HA GLN 48 -14.315 15.108 -5.609 1078 HB2 GLN 48 2HB GLN 48 -15.516 12.364 -5.220 1079 HB3 GLN 48 1HB GLN 48 -15.277 13.207 -6.753 1080 HG2 GLN 48 2HG GLN 48 -13.112 12.245 -4.860 1081 HG3 GLN 48 1HG GLN 48 -13.489 11.587 -6.453 1082 HE21 GLN 48 1HE2 GLN 48 -11.222 13.446 -5.011 1083 HE22 GLN 48 2HE2 GLN 48 -10.831 14.495 -6.289 1084 H LYS 49 H LYS 49 -15.874 16.569 -5.786 1085 HA LYS 49 HA LYS 49 -18.132 16.734 -4.126 1086 HB2 LYS 49 2HB LYS 49 -17.531 18.082 -6.757 1087 HB3 LYS 49 1HB LYS 49 -18.877 18.515 -5.703 1088 HG2 LYS 49 2HG LYS 49 -17.246 18.920 -3.853 1089 HG3 LYS 49 1HG LYS 49 -15.932 18.608 -4.990 1090 HD2 LYS 49 2HD LYS 49 -16.796 20.455 -6.432 1091 HD3 LYS 49 1HD LYS 49 -18.009 20.807 -5.201 1092 HE2 LYS 49 2HE LYS 49 -15.876 22.217 -5.109 1093 HE3 LYS 49 1HE LYS 49 -16.352 21.433 -3.603 1094 HZ1 LYS 49 3HZ LYS 49 -13.926 21.246 -4.413 1095 HZ2 LYS 49 1HZ LYS 49 -14.532 20.065 -5.469 1096 HZ3 LYS 49 2HZ LYS 49 -14.697 19.866 -3.790 1097 H ASP 50 H ASP 50 -17.810 15.353 -7.374 1098 HA ASP 50 HA ASP 50 -20.599 15.195 -7.862 1099 HB2 ASP 50 2HB ASP 50 -18.311 13.642 -9.063 1100 HB3 ASP 50 1HB ASP 50 -19.982 13.563 -9.626 1101 H VAL 51 H VAL 51 -22.067 13.589 -7.639 1102 HA VAL 51 HA VAL 51 -21.656 11.677 -5.528 1103 HB VAL 51 HB VAL 51 -23.950 11.099 -5.811 1104 HG11 VAL 51 1HG1 VAL 51 -24.159 13.945 -6.674 1105 HG12 VAL 51 2HG1 VAL 51 -23.197 13.613 -5.232 1106 HG13 VAL 51 3HG1 VAL 51 -24.891 13.126 -5.294 1107 HG21 VAL 51 3HG2 VAL 51 -24.057 10.689 -8.182 1108 HG22 VAL 51 1HG2 VAL 51 -23.694 12.374 -8.552 1109 HG23 VAL 51 2HG2 VAL 51 -25.238 11.947 -7.822 1110 H ASP 52 H ASP 52 -21.531 11.706 -8.987 1111 HA ASP 52 HA ASP 52 -21.577 8.829 -9.307 1112 HB2 ASP 52 2HB ASP 52 -20.916 11.086 -11.217 1113 HB3 ASP 52 1HB ASP 52 -20.968 9.384 -11.673 1114 H ALA 53 H ALA 53 -19.451 10.840 -7.955 1115 HA ALA 53 HA ALA 53 -16.978 10.362 -9.150 1116 HB1 ALA 53 1HB ALA 53 -17.332 11.977 -7.329 1117 HB2 ALA 53 2HB ALA 53 -16.025 10.849 -6.958 1118 HB3 ALA 53 3HB ALA 53 -17.607 10.642 -6.207 1119 H VAL 54 H VAL 54 -18.869 8.398 -6.874 1120 HA VAL 54 HA VAL 54 -16.877 6.465 -6.349 1121 HB VAL 54 HB VAL 54 -19.055 6.632 -5.116 1122 HG11 VAL 54 1HG1 VAL 54 -20.273 5.038 -7.366 1123 HG12 VAL 54 2HG1 VAL 54 -20.318 6.798 -7.430 1124 HG13 VAL 54 3HG1 VAL 54 -21.081 5.946 -6.091 1125 HG21 VAL 54 3HG2 VAL 54 -19.413 4.132 -5.053 1126 HG22 VAL 54 1HG2 VAL 54 -17.730 4.620 -4.870 1127 HG23 VAL 54 2HG2 VAL 54 -18.308 3.995 -6.418 1128 H ASP 55 H ASP 55 -19.340 6.703 -8.894 1129 HA ASP 55 HA ASP 55 -18.847 4.216 -10.113 1130 HB2 ASP 55 2HB ASP 55 -19.750 6.849 -11.283 1131 HB3 ASP 55 1HB ASP 55 -19.777 5.329 -12.167 1132 H LYS 56 H LYS 56 -17.471 7.445 -10.623 1133 HA LYS 56 HA LYS 56 -15.730 6.723 -12.738 1134 HB2 LYS 56 2HB LYS 56 -15.532 8.942 -10.694 1135 HB3 LYS 56 1HB LYS 56 -14.511 8.806 -12.126 1136 HG2 LYS 56 2HG LYS 56 -16.567 8.814 -13.543 1137 HG3 LYS 56 1HG LYS 56 -17.529 9.083 -12.089 1138 HD2 LYS 56 2HD LYS 56 -16.205 11.156 -11.648 1139 HD3 LYS 56 1HD LYS 56 -15.373 10.910 -13.185 1140 HE2 LYS 56 2HE LYS 56 -18.375 11.210 -12.879 1141 HE3 LYS 56 1HE LYS 56 -17.283 12.498 -13.388 1142 HZ1 LYS 56 3HZ LYS 56 -16.542 10.838 -15.162 1143 HZ2 LYS 56 1HZ LYS 56 -18.044 11.597 -15.368 1144 HZ3 LYS 56 2HZ LYS 56 -17.974 9.998 -14.798 1145 H VAL 57 H VAL 57 -15.320 6.734 -9.227 1146 HA VAL 57 HA VAL 57 -12.549 6.250 -9.200 1147 HB VAL 57 HB VAL 57 -14.698 5.706 -7.145 1148 HG11 VAL 57 1HG1 VAL 57 -11.716 5.264 -7.094 1149 HG12 VAL 57 2HG1 VAL 57 -12.999 4.207 -6.506 1150 HG13 VAL 57 3HG1 VAL 57 -12.587 5.673 -5.617 1151 HG21 VAL 57 3HG2 VAL 57 -13.915 8.088 -7.957 1152 HG22 VAL 57 1HG2 VAL 57 -12.490 7.739 -6.978 1153 HG23 VAL 57 2HG2 VAL 57 -14.088 7.765 -6.231 1154 H MET 58 H MET 58 -15.273 3.905 -8.941 1155 HA MET 58 HA MET 58 -13.486 1.724 -8.622 1156 HB2 MET 58 2HB MET 58 -15.286 0.351 -8.472 1157 HB3 MET 58 1HB MET 58 -16.054 1.887 -8.116 1158 HG2 MET 58 2HG MET 58 -17.515 1.130 -9.717 1159 HG3 MET 58 1HG MET 58 -16.349 1.896 -10.787 1160 HE1 MET 58 3HE MET 58 -18.048 -1.704 -10.023 1161 HE2 MET 58 1HE MET 58 -17.110 -0.998 -8.700 1162 HE3 MET 58 2HE MET 58 -16.536 -2.451 -9.512 1163 H LYS 59 H LYS 59 -14.783 3.170 -11.593 1164 HA LYS 59 HA LYS 59 -14.127 1.002 -13.280 1165 HB2 LYS 59 2HB LYS 59 -14.153 3.951 -13.957 1166 HB3 LYS 59 1HB LYS 59 -14.096 2.637 -15.132 1167 HG2 LYS 59 2HG LYS 59 -16.316 3.017 -13.134 1168 HG3 LYS 59 1HG LYS 59 -16.372 3.504 -14.826 1169 HD2 LYS 59 2HD LYS 59 -15.551 0.929 -15.127 1170 HD3 LYS 59 1HD LYS 59 -16.462 0.776 -13.624 1171 HE2 LYS 59 2HE LYS 59 -18.346 2.003 -14.769 1172 HE3 LYS 59 1HE LYS 59 -17.415 1.843 -16.260 1173 HZ1 LYS 59 3HZ LYS 59 -17.620 -0.632 -14.857 1174 HZ2 LYS 59 1HZ LYS 59 -18.020 -0.273 -16.466 1175 HZ3 LYS 59 2HZ LYS 59 -19.155 -0.005 -15.231 1176 H GLU 60 H GLU 60 -12.177 3.728 -12.124 1177 HA GLU 60 HA GLU 60 -9.889 3.172 -13.705 1178 HB2 GLU 60 2HB GLU 60 -10.263 5.300 -12.479 1179 HB3 GLU 60 1HB GLU 60 -10.010 4.445 -10.961 1180 HG2 GLU 60 2HG GLU 60 -7.746 3.774 -11.752 1181 HG3 GLU 60 1HG GLU 60 -8.000 4.727 -13.210 1182 H LEU 61 H LEU 61 -10.930 2.105 -10.518 1183 HA LEU 61 HA LEU 61 -8.553 0.699 -9.892 1184 HB2 LEU 61 2HB LEU 61 -11.340 0.305 -8.794 1185 HB3 LEU 61 1HB LEU 61 -9.866 -0.333 -8.084 1186 HG LEU 61 HG LEU 61 -10.555 2.597 -8.417 1187 HD11 LEU 61 1HD1 LEU 61 -11.059 2.629 -6.155 1188 HD12 LEU 61 2HD1 LEU 61 -10.050 1.224 -5.805 1189 HD13 LEU 61 3HD1 LEU 61 -11.620 1.014 -6.581 1190 HD21 LEU 61 3HD2 LEU 61 -8.221 2.644 -8.547 1191 HD22 LEU 61 1HD2 LEU 61 -8.042 1.177 -7.573 1192 HD23 LEU 61 2HD2 LEU 61 -8.469 2.697 -6.814 1193 H ASP 62 H ASP 62 -11.512 -0.284 -11.549 1194 HA ASP 62 HA ASP 62 -10.886 -3.056 -11.362 1195 HB2 ASP 62 2HB ASP 62 -13.152 -2.071 -11.914 1196 HB3 ASP 62 1HB ASP 62 -12.526 -1.781 -13.538 1197 H GLU 63 H GLU 63 -8.534 -2.717 -11.858 1198 HA GLU 63 HA GLU 63 -7.707 -2.170 -14.552 1199 HB2 GLU 63 2HB GLU 63 -6.110 -2.171 -12.651 1200 HB3 GLU 63 1HB GLU 63 -6.375 -3.905 -12.444 1201 HG2 GLU 63 2HG GLU 63 -5.587 -4.297 -14.747 1202 HG3 GLU 63 1HG GLU 63 -5.288 -2.579 -14.937 1203 H ASN 64 H ASN 64 -8.658 -4.837 -12.686 1204 HA ASN 64 HA ASN 64 -8.213 -6.978 -14.376 1205 HB2 ASN 64 2HB ASN 64 -8.657 -7.102 -12.009 1206 HB3 ASN 64 1HB ASN 64 -10.241 -6.400 -12.241 1207 HD21 ASN 64 1HD2 ASN 64 -8.392 -9.234 -13.514 1208 HD22 ASN 64 2HD2 ASN 64 -9.716 -10.292 -13.413 1209 H GLY 65 H GLY 65 -10.968 -4.753 -14.118 1210 HA2 GLY 65 2HA GLY 65 -12.500 -4.159 -15.756 1211 HA3 GLY 65 1HA GLY 65 -11.759 -5.333 -16.831 1212 H ASP 66 H ASP 66 -12.742 -6.536 -13.728 1213 HA ASP 66 HA ASP 66 -14.794 -8.130 -15.062 1214 HB2 ASP 66 2HB ASP 66 -14.834 -9.426 -12.978 1215 HB3 ASP 66 1HB ASP 66 -13.187 -9.243 -13.577 1216 H GLY 67 H GLY 67 -14.872 -5.151 -13.730 1217 HA2 GLY 67 2HA GLY 67 -16.804 -3.861 -13.378 1218 HA3 GLY 67 1HA GLY 67 -17.739 -5.346 -13.214 1219 H GLU 68 H GLU 68 -15.148 -5.919 -11.420 1220 HA GLU 68 HA GLU 68 -16.257 -4.750 -8.936 1221 HB2 GLU 68 2HB GLU 68 -15.013 -7.461 -9.356 1222 HB3 GLU 68 1HB GLU 68 -15.381 -6.780 -7.779 1223 HG2 GLU 68 2HG GLU 68 -17.230 -8.120 -8.208 1224 HG3 GLU 68 1HG GLU 68 -17.790 -6.526 -8.726 1225 H VAL 69 H VAL 69 -14.730 -4.486 -7.219 1226 HA VAL 69 HA VAL 69 -12.015 -3.899 -8.206 1227 HB VAL 69 HB VAL 69 -13.481 -2.856 -5.766 1228 HG11 VAL 69 1HG1 VAL 69 -11.565 -1.338 -5.518 1229 HG12 VAL 69 2HG1 VAL 69 -10.782 -2.099 -6.899 1230 HG13 VAL 69 3HG1 VAL 69 -11.042 -3.020 -5.411 1231 HG21 VAL 69 3HG2 VAL 69 -13.547 -0.729 -6.963 1232 HG22 VAL 69 1HG2 VAL 69 -14.335 -1.984 -7.916 1233 HG23 VAL 69 2HG2 VAL 69 -12.705 -1.461 -8.329 1234 H ASP 70 H ASP 70 -10.373 -5.184 -7.464 1235 HA ASP 70 HA ASP 70 -11.156 -7.195 -5.432 1236 HB2 ASP 70 2HB ASP 70 -9.496 -8.649 -6.312 1237 HB3 ASP 70 1HB ASP 70 -10.357 -7.975 -7.691 1238 H PHE 71 H PHE 71 -9.232 -8.058 -4.172 1239 HA PHE 71 HA PHE 71 -8.447 -6.209 -2.262 1240 HB2 PHE 71 2HB PHE 71 -8.433 -8.786 -2.284 1241 HB3 PHE 71 1HB PHE 71 -6.863 -8.655 -3.052 1242 HD1 PHE 71 1HD PHE 71 -6.567 -5.899 -1.074 1243 HD2 PHE 71 2HD PHE 71 -7.096 -10.136 -0.635 1244 HE1 PHE 71 1HE PHE 71 -5.493 -5.802 1.147 1245 HE2 PHE 71 2HE PHE 71 -6.034 -10.022 1.588 1246 HZ PHE 71 HZ PHE 71 -5.237 -7.864 2.470 1247 H GLN 72 H GLN 72 -6.582 -7.414 -5.086 1248 HA GLN 72 HA GLN 72 -4.216 -5.946 -4.529 1249 HB2 GLN 72 2HB GLN 72 -5.337 -6.957 -7.157 1250 HB3 GLN 72 1HB GLN 72 -3.707 -6.314 -6.946 1251 HG2 GLN 72 2HG GLN 72 -3.224 -8.047 -5.277 1252 HG3 GLN 72 1HG GLN 72 -4.848 -8.685 -5.431 1253 HE21 GLN 72 1HE2 GLN 72 -2.646 -10.347 -5.932 1254 HE22 GLN 72 2HE2 GLN 72 -2.580 -10.698 -7.587 1255 H GLU 73 H GLU 73 -7.105 -5.106 -6.440 1256 HA GLU 73 HA GLU 73 -6.145 -2.662 -7.485 1257 HB2 GLU 73 2HB GLU 73 -8.948 -3.591 -6.845 1258 HB3 GLU 73 1HB GLU 73 -8.575 -2.149 -7.776 1259 HG2 GLU 73 2HG GLU 73 -7.415 -3.562 -9.462 1260 HG3 GLU 73 1HG GLU 73 -7.852 -4.996 -8.549 1261 H TYR 74 H TYR 74 -7.935 -3.545 -4.597 1262 HA TYR 74 HA TYR 74 -8.390 -0.980 -3.507 1263 HB2 TYR 74 2HB TYR 74 -9.535 -3.072 -2.813 1264 HB3 TYR 74 1HB TYR 74 -8.027 -3.641 -2.103 1265 HD1 TYR 74 1HD TYR 74 -10.727 -1.140 -1.867 1266 HD2 TYR 74 2HD TYR 74 -7.191 -2.733 -0.026 1267 HE1 TYR 74 1HE TYR 74 -11.264 0.073 0.224 1268 HE2 TYR 74 2HE TYR 74 -7.727 -1.510 2.064 1269 HH TYR 74 HH TYR 74 -9.395 -0.404 3.163 1270 H VAL 75 H VAL 75 -5.857 -3.338 -3.184 1271 HA VAL 75 HA VAL 75 -4.357 -2.104 -1.158 1272 HB VAL 75 HB VAL 75 -4.126 -4.496 -2.684 1273 HG11 VAL 75 1HG1 VAL 75 -2.601 -3.532 -4.264 1274 HG12 VAL 75 2HG1 VAL 75 -1.682 -4.552 -3.162 1275 HG13 VAL 75 3HG1 VAL 75 -1.648 -2.813 -2.980 1276 HG21 VAL 75 3HG2 VAL 75 -2.211 -4.934 -1.047 1277 HG22 VAL 75 1HG2 VAL 75 -3.793 -4.573 -0.352 1278 HG23 VAL 75 2HG2 VAL 75 -2.537 -3.329 -0.401 1279 H VAL 76 H VAL 76 -4.037 -1.863 -4.729 1280 HA VAL 76 HA VAL 76 -1.882 0.002 -4.458 1281 HB VAL 76 HB VAL 76 -2.143 0.504 -6.805 1282 HG11 VAL 76 1HG1 VAL 76 -1.623 -1.625 -7.631 1283 HG12 VAL 76 2HG1 VAL 76 -2.808 -2.424 -6.597 1284 HG13 VAL 76 3HG1 VAL 76 -1.307 -1.807 -5.904 1285 HG21 VAL 76 3HG2 VAL 76 -4.658 -1.157 -6.768 1286 HG22 VAL 76 1HG2 VAL 76 -4.008 -0.249 -8.121 1287 HG23 VAL 76 2HG2 VAL 76 -4.681 0.599 -6.731 1288 H LEU 77 H LEU 77 -5.438 0.338 -4.553 1289 HA LEU 77 HA LEU 77 -5.521 3.130 -4.877 1290 HB2 LEU 77 2HB LEU 77 -7.571 1.840 -4.880 1291 HB3 LEU 77 1HB LEU 77 -7.292 1.311 -3.229 1292 HG LEU 77 HG LEU 77 -7.454 3.765 -2.528 1293 HD11 LEU 77 1HD1 LEU 77 -9.024 4.343 -4.989 1294 HD12 LEU 77 2HD1 LEU 77 -7.275 4.466 -5.122 1295 HD13 LEU 77 3HD1 LEU 77 -8.139 5.432 -3.937 1296 HD21 LEU 77 3HD2 LEU 77 -9.290 2.452 -1.974 1297 HD22 LEU 77 1HD2 LEU 77 -9.712 2.153 -3.661 1298 HD23 LEU 77 2HD2 LEU 77 -10.024 3.732 -2.941 1299 H VAL 78 H VAL 78 -5.339 1.294 -1.782 1300 HA VAL 78 HA VAL 78 -5.142 3.725 -0.294 1301 HB VAL 78 HB VAL 78 -4.480 2.393 1.644 1302 HG11 VAL 78 1HG1 VAL 78 -6.577 1.566 1.974 1303 HG12 VAL 78 2HG1 VAL 78 -6.626 0.733 0.416 1304 HG13 VAL 78 3HG1 VAL 78 -6.897 2.474 0.497 1305 HG21 VAL 78 3HG2 VAL 78 -4.182 0.003 1.539 1306 HG22 VAL 78 1HG2 VAL 78 -3.074 0.723 0.378 1307 HG23 VAL 78 2HG2 VAL 78 -4.566 -0.036 -0.177 1308 H ALA 79 H ALA 79 -2.692 1.580 -1.687 1309 HA ALA 79 HA ALA 79 -0.522 2.830 -0.287 1310 HB1 ALA 79 1HB ALA 79 0.833 1.425 -1.446 1311 HB2 ALA 79 2HB ALA 79 -0.020 1.664 -2.975 1312 HB3 ALA 79 3HB ALA 79 -0.686 0.600 -1.746 1313 H ALA 80 H ALA 80 -1.802 3.308 -3.578 1314 HA ALA 80 HA ALA 80 0.006 5.353 -4.305 1315 HB1 ALA 80 1HB ALA 80 -1.788 5.928 -6.007 1316 HB2 ALA 80 2HB ALA 80 -2.768 4.649 -5.286 1317 HB3 ALA 80 3HB ALA 80 -1.219 4.257 -6.038 1318 H LEU 81 H LEU 81 -3.190 5.367 -2.727 1319 HA LEU 81 HA LEU 81 -3.367 8.208 -2.641 1320 HB2 LEU 81 2HB LEU 81 -4.797 5.979 -1.282 1321 HB3 LEU 81 1HB LEU 81 -4.886 7.578 -0.548 1322 HG LEU 81 HG LEU 81 -5.710 8.537 -2.662 1323 HD11 LEU 81 1HD1 LEU 81 -6.100 7.314 -4.632 1324 HD12 LEU 81 2HD1 LEU 81 -5.919 5.768 -3.821 1325 HD13 LEU 81 3HD1 LEU 81 -4.510 6.775 -4.114 1326 HD21 LEU 81 3HD2 LEU 81 -7.284 6.058 -1.880 1327 HD22 LEU 81 1HD2 LEU 81 -7.918 7.456 -2.745 1328 HD23 LEU 81 2HD2 LEU 81 -7.380 7.627 -1.077 1329 H THR 82 H THR 82 -1.810 5.800 -0.559 1330 HA THR 82 HA THR 82 -1.318 7.529 1.633 1331 HB THR 82 HB THR 82 0.416 5.250 0.652 1332 HG1 THR 82 1HG THR 82 -1.273 4.737 2.702 1333 HG21 THR 82 3HG2 THR 82 0.351 6.949 3.076 1334 HG22 THR 82 1HG2 THR 82 1.682 6.018 2.384 1335 HG23 THR 82 2HG2 THR 82 0.464 5.218 3.377 1336 H VAL 83 H VAL 83 0.772 6.689 -1.160 1337 HA VAL 83 HA VAL 83 2.822 8.519 -0.384 1338 HB VAL 83 HB VAL 83 3.296 6.716 -2.000 1339 HG11 VAL 83 1HG1 VAL 83 2.546 6.757 -4.242 1340 HG12 VAL 83 2HG1 VAL 83 1.924 8.400 -4.098 1341 HG13 VAL 83 3HG1 VAL 83 1.113 7.067 -3.298 1342 HG21 VAL 83 3HG2 VAL 83 3.786 9.301 -3.450 1343 HG22 VAL 83 1HG2 VAL 83 4.887 7.950 -3.173 1344 HG23 VAL 83 2HG2 VAL 83 4.496 9.052 -1.853 1345 H ALA 84 H ALA 84 -0.038 8.905 -2.430 1346 HA ALA 84 HA ALA 84 0.597 11.524 -3.323 1347 HB1 ALA 84 1HB ALA 84 -1.184 9.950 -4.247 1348 HB2 ALA 84 2HB ALA 84 -1.651 11.642 -4.070 1349 HB3 ALA 84 3HB ALA 84 -2.187 10.449 -2.885 1350 H CYS 85 H CHC 85 -0.938 10.215 -0.456 1351 HA CYS 85 HA CHC 85 -2.001 12.600 0.591 1352 HB2 CYS 85 2HB CHC 85 -2.565 10.332 1.444 1353 HB3 CYS 85 1HB CHC 85 -0.940 10.208 2.113 1354 H ASN 86 H ASN 86 1.060 10.892 1.328 1355 HA ASN 86 HA ASN 86 2.073 12.910 3.008 1356 HB2 ASN 86 2HB ASN 86 3.106 10.649 2.679 1357 HB3 ASN 86 1HB ASN 86 3.712 11.209 1.122 1358 HD21 ASN 86 1HD2 ASN 86 3.790 12.074 4.620 1359 HD22 ASN 86 2HD2 ASN 86 5.333 12.777 4.559 1360 H ASN 87 H ASN 87 2.179 12.521 -0.526 1361 HA ASN 87 HA ASN 87 3.883 14.689 -1.099 1362 HB2 ASN 87 2HB ASN 87 1.581 13.550 -2.697 1363 HB3 ASN 87 1HB ASN 87 2.771 14.684 -3.329 1364 HD21 ASN 87 1HD2 ASN 87 2.489 12.054 -4.433 1365 HD22 ASN 87 2HD2 ASN 87 3.897 11.176 -4.076 1366 H PHE 88 H PHE 88 0.348 14.606 -0.589 1367 HA PHE 88 HA PHE 88 -0.008 17.356 -1.243 1368 HB2 PHE 88 2HB PHE 88 -1.753 15.451 0.313 1369 HB3 PHE 88 1HB PHE 88 -2.197 17.127 0.002 1370 HD1 PHE 88 1HD PHE 88 -1.931 17.898 -2.522 1371 HD2 PHE 88 2HD PHE 88 -2.422 13.831 -1.247 1372 HE1 PHE 88 1HE PHE 88 -2.767 17.292 -4.776 1373 HE2 PHE 88 2HE PHE 88 -3.238 13.217 -3.503 1374 HZ PHE 88 HZ PHE 88 -3.414 14.949 -5.270 1375 H PHE 89 H PHE 89 0.559 15.654 1.828 1376 HA PHE 89 HA PHE 89 0.139 17.904 3.480 1377 HB2 PHE 89 2HB PHE 89 0.277 15.567 4.303 1378 HB3 PHE 89 1HB PHE 89 2.010 15.578 3.971 1379 HD1 PHE 89 2HD PHE 89 -0.680 17.082 6.030 1380 HD2 PHE 89 1HD PHE 89 3.555 16.758 5.391 1381 HE1 PHE 89 2HE PHE 89 -0.266 18.172 8.219 1382 HE2 PHE 89 1HE PHE 89 3.969 17.848 7.579 1383 HZ PHE 89 HZ PHE 89 2.059 18.555 8.994 1384 H TRP 90 H TRP 90 3.214 16.540 2.237 1385 HA TRP 90 HA TRP 90 4.803 18.683 3.228 1386 HB2 TRP 90 2HB TRP 90 5.767 16.490 2.704 1387 HB3 TRP 90 1HB TRP 90 5.457 16.790 0.987 1388 HD1 TRP 90 HD TRP 90 6.617 18.904 -0.093 1389 HE1 TRP 90 1HE TRP 90 8.862 20.064 0.408 1390 HE3 TRP 90 3HE TRP 90 7.476 17.074 4.574 1391 HZ2 TRP 90 2HZ TRP 90 10.775 20.194 2.547 1392 HZ3 TRP 90 3HZ TRP 90 9.508 17.733 5.834 1393 HH2 TRP 90 HH TRP 90 11.156 19.290 4.828 1394 H GLU 91 H GLU 91 3.301 18.052 0.124 1395 HA GLU 91 HA GLU 91 4.344 20.602 -0.893 1396 HB2 GLU 91 2HB GLU 91 4.300 18.153 -2.012 1397 HB3 GLU 91 1HB GLU 91 2.764 18.764 -2.618 1398 HG2 GLU 91 2HG GLU 91 5.396 20.261 -2.865 1399 HG3 GLU 91 1HG GLU 91 4.714 19.246 -4.135 1400 H ASN 92 H ASN 92 3.064 22.284 -1.479 1401 HA ASN 92 HA ASN 92 0.211 22.097 -0.745 1402 HB2 ASN 92 2HB ASN 92 1.594 23.826 0.388 1403 HB3 ASN 92 1HB ASN 92 1.918 24.557 -1.183 1404 HD21 ASN 92 1HD2 ASN 92 -0.832 23.639 0.955 1405 HD22 ASN 92 2HD2 ASN 92 -1.854 24.882 0.415 1406 H SER 93 H SER 93 -1.229 21.956 -2.332 1407 HA SER 93 HA SER 93 -0.914 23.496 -4.772 1408 HB2 SER 93 2HB SER 93 0.288 21.191 -5.015 1409 HB3 SER 93 1HB SER 93 -1.347 20.546 -5.127 1410 HG SER 93 HG SER 93 -1.689 22.139 -6.806 1411 H1 HCS 201 1HT CHC 85 2.726 -16.279 6.871 1412 H2 HCS 201 2HT CHC 85 2.240 -15.572 8.337 1413 H HCS 201 3HT CHC 85 3.257 -16.932 8.344 1414 HCA HCS 201 HH CHC 85 5.109 -15.760 7.831 1415 HB2 HCS 201 1HZ CHC 85 4.234 -14.988 5.668 1416 HB3 HCS 201 2HZ CHC 85 5.035 -13.661 6.510 1417 HG2 HCS 201 1HE CHC 85 2.928 -12.729 7.204 1418 HG3 HCS 201 2HE CHC 85 2.051 -14.161 6.667 1419 H1 HCS 201 1HT CHC 85 -3.914 16.931 4.206 1420 H2 HCS 201 2HT CHC 85 -3.757 16.404 5.814 1421 H HCS 201 3HT CHC 85 -4.736 17.743 5.448 1422 HCA HCS 201 HH CHC 85 -6.452 16.497 4.695 1423 HB2 HCS 201 1HZ CHC 85 -5.150 15.490 2.870 1424 HB3 HCS 201 2HZ CHC 85 -6.127 14.261 3.672 1425 HG2 HCS 201 1HE CHC 85 -4.226 13.440 4.897 1426 HG3 HCS 201 2HE CHC 85 -3.238 14.812 4.396 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -12.778 4.241 12.734 2 HA2 GLY 1 2HA GLY 1 -12.360 3.153 10.062 3 HA3 GLY 1 1HA GLY 1 -13.026 4.736 10.453 4 H SER 2 H SER 2 -10.786 5.236 12.331 5 HA SER 2 HA SER 2 -9.051 6.592 10.537 6 HB2 SER 2 2HB SER 2 -7.846 7.272 12.510 7 HB3 SER 2 1HB SER 2 -9.568 7.317 12.878 8 HG SER 2 HG SER 2 -8.104 4.967 13.343 9 H GLU 3 H GLU 3 -9.119 3.357 11.658 10 HA GLU 3 HA GLU 3 -6.406 2.755 11.900 11 HB2 GLU 3 2HB GLU 3 -8.696 1.035 10.964 12 HB3 GLU 3 1HB GLU 3 -7.093 0.417 11.360 13 HG2 GLU 3 2HG GLU 3 -7.303 1.379 13.631 14 HG3 GLU 3 1HG GLU 3 -8.931 1.929 13.235 15 H LEU 4 H LEU 4 -8.394 2.736 8.883 16 HA LEU 4 HA LEU 4 -6.280 1.597 7.327 17 HB2 LEU 4 2HB LEU 4 -8.780 1.967 6.718 18 HB3 LEU 4 1HB LEU 4 -8.262 3.590 6.260 19 HG LEU 4 HG LEU 4 -6.919 1.084 5.215 20 HD11 LEU 4 1HD1 LEU 4 -9.387 1.180 4.641 21 HD12 LEU 4 2HD1 LEU 4 -8.273 1.108 3.277 22 HD13 LEU 4 3HD1 LEU 4 -9.026 2.637 3.713 23 HD21 LEU 4 3HD2 LEU 4 -6.476 3.943 4.804 24 HD22 LEU 4 1HD2 LEU 4 -6.755 3.095 3.285 25 HD23 LEU 4 2HD2 LEU 4 -5.479 2.562 4.366 26 H GLU 5 H GLU 5 -7.301 4.867 8.127 27 HA GLU 5 HA GLU 5 -5.401 6.285 6.591 28 HB2 GLU 5 2HB GLU 5 -7.569 7.056 7.913 29 HB3 GLU 5 1HB GLU 5 -6.411 7.344 9.209 30 HG2 GLU 5 2HG GLU 5 -6.087 8.445 6.403 31 HG3 GLU 5 1HG GLU 5 -6.839 9.337 7.720 32 H THR 6 H THR 6 -5.415 5.006 9.883 33 HA THR 6 HA THR 6 -2.978 6.118 10.753 34 HB THR 6 HB THR 6 -4.163 3.440 11.530 35 HG1 THR 6 1HG THR 6 -4.842 5.011 13.330 36 HG21 THR 6 3HG2 THR 6 -2.182 5.323 12.826 37 HG22 THR 6 1HG2 THR 6 -1.924 3.642 12.360 38 HG23 THR 6 2HG2 THR 6 -2.994 4.029 13.707 39 H ALA 7 H ALA 7 -3.774 3.165 8.989 40 HA ALA 7 HA ALA 7 -1.167 2.055 8.965 41 HB1 ALA 7 1HB ALA 7 -1.995 0.551 7.349 42 HB2 ALA 7 2HB ALA 7 -3.151 1.723 6.723 43 HB3 ALA 7 3HB ALA 7 -3.420 0.972 8.296 44 H MET 8 H MET 8 -2.897 4.184 6.692 45 HA MET 8 HA MET 8 -0.865 4.351 4.724 46 HB2 MET 8 2HB MET 8 -2.977 6.344 5.616 47 HB3 MET 8 1HB MET 8 -1.992 6.541 4.167 48 HG2 MET 8 2HG MET 8 -2.850 4.398 3.288 49 HG3 MET 8 1HG MET 8 -3.841 4.196 4.720 50 HE1 MET 8 3HE MET 8 -3.091 5.923 1.532 51 HE2 MET 8 1HE MET 8 -3.126 7.462 2.404 52 HE3 MET 8 2HE MET 8 -4.382 7.080 1.229 53 H GLU 9 H GLU 9 -1.467 6.194 7.684 54 HA GLU 9 HA GLU 9 0.660 8.040 7.364 55 HB2 GLU 9 2HB GLU 9 -0.762 7.053 9.846 56 HB3 GLU 9 1HB GLU 9 0.420 8.362 9.842 57 HG2 GLU 9 2HG GLU 9 -2.138 8.326 8.217 58 HG3 GLU 9 1HG GLU 9 -1.909 9.216 9.717 59 H THR 10 H THR 10 0.442 4.780 8.740 60 HA THR 10 HA THR 10 2.989 4.814 9.967 61 HB THR 10 HB THR 10 1.510 2.443 8.825 62 HG1 THR 10 1HG THR 10 0.171 3.299 10.293 63 HG21 THR 10 3HG2 THR 10 3.751 2.763 10.831 64 HG22 THR 10 1HG2 THR 10 3.788 1.859 9.314 65 HG23 THR 10 2HG2 THR 10 2.815 1.280 10.670 66 H LEU 11 H LEU 11 1.881 3.844 6.708 67 HA LEU 11 HA LEU 11 4.417 2.916 5.840 68 HB2 LEU 11 2HB LEU 11 2.322 4.274 4.129 69 HB3 LEU 11 1HB LEU 11 3.583 3.183 3.574 70 HG LEU 11 HG LEU 11 1.200 2.493 5.301 71 HD11 LEU 11 1HD1 LEU 11 0.897 0.843 3.342 72 HD12 LEU 11 2HD1 LEU 11 2.047 1.871 2.486 73 HD13 LEU 11 3HD1 LEU 11 0.519 2.542 3.056 74 HD21 LEU 11 3HD2 LEU 11 3.694 0.929 4.679 75 HD22 LEU 11 1HD2 LEU 11 2.158 0.103 4.936 76 HD23 LEU 11 2HD2 LEU 11 2.837 1.100 6.221 77 H ILE 12 H ILE 12 2.853 6.092 5.777 78 HA ILE 12 HA ILE 12 4.945 7.429 4.399 79 HB ILE 12 HB ILE 12 2.965 8.503 6.414 80 HG12 ILE 12 2HG1 ILE 12 2.981 8.676 3.391 81 HG13 ILE 12 1HG1 ILE 12 2.070 7.469 4.278 82 HG21 ILE 12 1HG2 ILE 12 3.537 10.681 5.145 83 HG22 ILE 12 2HG2 ILE 12 4.992 9.832 4.621 84 HG23 ILE 12 3HG2 ILE 12 4.699 10.102 6.340 85 HD11 ILE 12 3HD1 ILE 12 0.846 9.647 3.585 86 HD12 ILE 12 1HD1 ILE 12 1.767 10.406 4.885 87 HD13 ILE 12 2HD1 ILE 12 0.649 9.091 5.249 88 H ASN 13 H ASN 13 4.370 6.960 7.869 89 HA ASN 13 HA ASN 13 6.539 8.479 8.791 90 HB2 ASN 13 2HB ASN 13 5.130 6.118 10.025 91 HB3 ASN 13 1HB ASN 13 6.281 7.145 10.880 92 HD21 ASN 13 1HD2 ASN 13 3.548 6.965 11.721 93 HD22 ASN 13 2HD2 ASN 13 2.807 8.466 11.441 94 H VAL 14 H VAL 14 6.407 4.990 7.964 95 HA VAL 14 HA VAL 14 9.101 4.610 8.868 96 HB VAL 14 HB VAL 14 8.992 2.359 7.997 97 HG11 VAL 14 1HG1 VAL 14 7.387 1.578 9.479 98 HG12 VAL 14 2HG1 VAL 14 6.210 2.807 9.023 99 HG13 VAL 14 3HG1 VAL 14 7.579 3.236 10.047 100 HG21 VAL 14 3HG2 VAL 14 6.566 3.349 6.504 101 HG22 VAL 14 1HG2 VAL 14 6.741 1.651 6.909 102 HG23 VAL 14 2HG2 VAL 14 7.938 2.448 5.885 103 H PHE 15 H PHE 15 7.648 5.180 5.643 104 HA PHE 15 HA PHE 15 10.067 4.864 4.194 105 HB2 PHE 15 2HB PHE 15 7.919 5.035 3.039 106 HB3 PHE 15 1HB PHE 15 7.723 6.694 3.615 107 HD1 PHE 15 1HD PHE 15 10.018 4.501 1.627 108 HD2 PHE 15 2HD PHE 15 8.687 8.494 2.476 109 HE1 PHE 15 1HE PHE 15 11.396 5.372 -0.237 110 HE2 PHE 15 2HE PHE 15 10.059 9.355 0.600 111 HZ PHE 15 HZ PHE 15 11.416 7.789 -0.758 112 H HIS 16 H HIS 16 8.536 7.679 5.679 113 HA HIS 16 HA HIS 16 10.587 9.515 5.038 114 HB2 HIS 16 2HB HIS 16 8.302 10.200 5.774 115 HB3 HIS 16 1HB HIS 16 8.675 9.590 7.386 116 HD1 HIS 16 1HD HIS 16 10.267 12.008 4.886 117 HD2 HIS 16 2HD HIS 16 9.740 11.554 8.997 118 HE1 HIS 16 1HE HIS 16 11.288 14.057 5.969 119 HE2 HIS 16 2HE HIS 16 10.976 13.795 8.476 120 H ALA 17 H ALA 17 10.119 7.248 7.668 121 HA ALA 17 HA ALA 17 12.080 8.253 9.379 122 HB1 ALA 17 1HB ALA 17 11.616 5.298 8.849 123 HB2 ALA 17 2HB ALA 17 10.507 6.288 9.814 124 HB3 ALA 17 3HB ALA 17 12.170 6.062 10.346 125 H HIS 18 H HIS 18 12.379 5.802 6.768 126 HA HIS 18 HA HIS 18 15.271 5.868 7.118 127 HB2 HIS 18 2HB HIS 18 13.438 4.401 5.280 128 HB3 HIS 18 1HB HIS 18 15.180 4.390 5.003 129 HD1 HIS 18 1HD HIS 18 12.818 3.873 7.966 130 HD2 HIS 18 2HD HIS 18 16.464 2.481 6.516 131 HE1 HIS 18 1HE HIS 18 13.624 2.131 9.618 132 HE2 HIS 18 2HE HIS 18 15.850 1.271 8.747 133 H SER 19 H SER 19 13.209 6.896 4.315 134 HA SER 19 HA SER 19 15.385 7.834 2.838 135 HB2 SER 19 2HB SER 19 13.083 7.650 1.911 136 HB3 SER 19 1HB SER 19 12.635 9.082 2.831 137 HG SER 19 HG SER 19 13.276 9.790 0.817 138 H GLY 20 H GLY 20 13.362 9.373 5.290 139 HA2 GLY 20 2HA GLY 20 14.537 11.955 5.253 140 HA3 GLY 20 1HA GLY 20 13.586 11.272 6.542 141 H LYS 21 H LYS 21 15.124 9.066 7.227 142 HA LYS 21 HA LYS 21 16.985 10.226 8.988 143 HB2 LYS 21 2HB LYS 21 16.018 8.050 9.409 144 HB3 LYS 21 1HB LYS 21 16.863 7.365 8.022 145 HG2 LYS 21 2HG LYS 21 19.016 7.891 9.123 146 HG3 LYS 21 1HG LYS 21 18.138 8.586 10.488 147 HD2 LYS 21 2HD LYS 21 18.717 6.307 11.059 148 HD3 LYS 21 1HD LYS 21 16.982 6.373 10.785 149 HE2 LYS 21 2HE LYS 21 18.668 5.769 8.404 150 HE3 LYS 21 1HE LYS 21 18.574 4.514 9.640 151 HZ1 LYS 21 3HZ LYS 21 16.293 4.337 9.412 152 HZ2 LYS 21 1HZ LYS 21 16.807 4.554 7.810 153 HZ3 LYS 21 2HZ LYS 21 16.135 5.857 8.669 154 H GLU 22 H GLU 22 17.624 8.632 5.817 155 HA GLU 22 HA GLU 22 20.358 9.800 6.045 156 HB2 GLU 22 2HB GLU 22 20.376 7.375 6.483 157 HB3 GLU 22 1HB GLU 22 19.706 7.102 4.878 158 HG2 GLU 22 2HG GLU 22 21.668 8.278 3.889 159 HG3 GLU 22 1HG GLU 22 22.348 8.446 5.507 160 H GLY 23 H GLY 23 21.327 10.634 4.302 161 HA2 GLY 23 2HA GLY 23 21.586 11.591 2.241 162 HA3 GLY 23 1HA GLY 23 20.729 10.191 1.621 163 H ASP 24 H ASP 24 19.281 10.871 0.252 164 HA ASP 24 HA ASP 24 17.943 13.415 0.483 165 HB2 ASP 24 2HB ASP 24 18.609 12.443 -1.703 166 HB3 ASP 24 1HB ASP 24 17.443 11.152 -1.446 167 H LYS 25 H LYS 25 16.144 13.795 1.498 168 HA LYS 25 HA LYS 25 14.836 11.954 3.092 169 HB2 LYS 25 2HB LYS 25 13.767 14.565 2.021 170 HB3 LYS 25 1HB LYS 25 13.120 13.675 3.407 171 HG2 LYS 25 2HG LYS 25 15.433 13.845 4.488 172 HG3 LYS 25 1HG LYS 25 15.891 14.943 3.190 173 HD2 LYS 25 2HD LYS 25 13.530 15.382 5.045 174 HD3 LYS 25 1HD LYS 25 15.114 16.131 5.247 175 HE2 LYS 25 2HE LYS 25 14.696 16.843 2.707 176 HE3 LYS 25 1HE LYS 25 13.009 16.673 3.195 177 HZ1 LYS 25 3HZ LYS 25 13.386 18.809 3.818 178 HZ2 LYS 25 1HZ LYS 25 15.036 18.564 4.124 179 HZ3 LYS 25 2HZ LYS 25 13.877 18.034 5.249 180 H TYR 26 H TYR 26 14.147 12.825 -0.237 181 HA TYR 26 HA TYR 26 11.690 11.192 -0.130 182 HB2 TYR 26 2HB TYR 26 12.624 13.187 -2.197 183 HB3 TYR 26 1HB TYR 26 11.094 12.306 -2.237 184 HD1 TYR 26 2HD TYR 26 9.439 12.607 -0.363 185 HD2 TYR 26 1HD TYR 26 12.911 15.098 -0.798 186 HE1 TYR 26 2HE TYR 26 8.432 14.277 1.167 187 HE2 TYR 26 1HE TYR 26 11.905 16.766 0.736 188 HH TYR 26 HH TYR 26 10.128 17.316 1.936 189 H LYS 27 H LYS 27 14.636 10.198 -0.491 190 HA LYS 27 HA LYS 27 13.873 8.390 -2.681 191 HB2 LYS 27 2HB LYS 27 15.352 10.271 -3.632 192 HB3 LYS 27 1HB LYS 27 16.650 9.528 -2.711 193 HG2 LYS 27 2HG LYS 27 16.803 8.537 -4.858 194 HG3 LYS 27 1HG LYS 27 15.999 7.334 -3.851 195 HD2 LYS 27 2HD LYS 27 13.858 7.812 -4.791 196 HD3 LYS 27 1HD LYS 27 14.396 9.316 -5.503 197 HE2 LYS 27 2HE LYS 27 15.991 7.886 -6.901 198 HE3 LYS 27 1HE LYS 27 15.043 6.502 -6.346 199 HZ1 LYS 27 3HZ LYS 27 14.314 8.643 -8.174 200 HZ2 LYS 27 1HZ LYS 27 13.102 8.119 -7.110 201 HZ3 LYS 27 2HZ LYS 27 13.841 7.011 -8.165 202 H LEU 28 H LEU 28 14.542 6.323 -2.388 203 HA LEU 28 HA LEU 28 15.919 5.786 0.167 204 HB2 LEU 28 2HB LEU 28 13.529 5.098 -0.345 205 HB3 LEU 28 1HB LEU 28 14.180 3.990 -1.486 206 HG LEU 28 HG LEU 28 15.515 2.923 0.373 207 HD11 LEU 28 1HD1 LEU 28 14.559 3.304 2.689 208 HD12 LEU 28 2HD1 LEU 28 13.757 4.741 2.068 209 HD13 LEU 28 3HD1 LEU 28 15.515 4.645 2.079 210 HD21 LEU 28 3HD2 LEU 28 13.447 1.822 1.376 211 HD22 LEU 28 1HD2 LEU 28 13.506 1.828 -0.389 212 HD23 LEU 28 2HD2 LEU 28 12.483 2.975 0.469 213 H SER 29 H SER 29 17.897 4.848 0.120 214 HA SER 29 HA SER 29 18.905 3.808 -2.449 215 HB2 SER 29 2HB SER 29 21.129 4.212 -1.572 216 HB3 SER 29 1HB SER 29 20.158 5.671 -1.398 217 HG SER 29 HG SER 29 20.467 3.715 0.628 218 H LYS 30 H LYS 30 20.484 1.954 -2.282 219 HA LYS 30 HA LYS 30 19.272 -0.343 -1.341 220 HB2 LYS 30 2HB LYS 30 21.198 -0.277 -2.912 221 HB3 LYS 30 1HB LYS 30 22.244 0.110 -1.547 222 HG2 LYS 30 2HG LYS 30 21.475 -2.034 -0.438 223 HG3 LYS 30 1HG LYS 30 20.607 -2.415 -1.923 224 HD2 LYS 30 2HD LYS 30 22.764 -3.507 -1.998 225 HD3 LYS 30 1HD LYS 30 22.769 -2.191 -3.175 226 HE2 LYS 30 2HE LYS 30 23.655 -1.446 -0.423 227 HE3 LYS 30 1HE LYS 30 24.732 -2.536 -1.309 228 HZ1 LYS 30 3HZ LYS 30 24.601 0.167 -1.598 229 HZ2 LYS 30 1HZ LYS 30 23.745 -0.406 -2.945 230 HZ3 LYS 30 2HZ LYS 30 25.343 -0.916 -2.677 231 H LYS 31 H LYS 31 21.869 1.506 0.215 232 HA LYS 31 HA LYS 31 22.168 -0.217 2.393 233 HB2 LYS 31 2HB LYS 31 23.297 1.659 3.494 234 HB3 LYS 31 1HB LYS 31 23.785 1.562 1.801 235 HG2 LYS 31 2HG LYS 31 22.071 3.270 1.244 236 HG3 LYS 31 1HG LYS 31 21.689 3.411 2.957 237 HD2 LYS 31 2HD LYS 31 23.198 5.180 2.395 238 HD3 LYS 31 1HD LYS 31 24.084 4.015 3.379 239 HE2 LYS 31 2HE LYS 31 25.326 3.230 1.562 240 HE3 LYS 31 1HE LYS 31 24.122 3.752 0.384 241 HZ1 LYS 31 3HZ LYS 31 25.849 5.281 0.187 242 HZ2 LYS 31 1HZ LYS 31 26.082 5.396 1.862 243 HZ3 LYS 31 2HZ LYS 31 24.704 6.088 1.148 244 H GLU 32 H GLU 32 20.020 2.574 1.856 245 HA GLU 32 HA GLU 32 19.000 2.629 4.507 246 HB2 GLU 32 2HB GLU 32 17.762 3.600 1.924 247 HB3 GLU 32 1HB GLU 32 17.151 3.955 3.539 248 HG2 GLU 32 2HG GLU 32 19.306 5.012 4.117 249 HG3 GLU 32 1HG GLU 32 19.887 4.702 2.489 250 H LEU 33 H LEU 33 17.506 1.210 1.484 251 HA LEU 33 HA LEU 33 15.286 0.221 2.906 252 HB2 LEU 33 2HB LEU 33 15.209 -1.638 1.089 253 HB3 LEU 33 1HB LEU 33 14.813 0.001 0.686 254 HG LEU 33 HG LEU 33 17.659 -0.342 0.325 255 HD11 LEU 33 1HD1 LEU 33 17.315 -2.715 -0.058 256 HD12 LEU 33 2HD1 LEU 33 17.480 -1.962 -1.642 257 HD13 LEU 33 3HD1 LEU 33 15.889 -2.406 -1.055 258 HD21 LEU 33 3HD2 LEU 33 16.908 0.162 -2.121 259 HD22 LEU 33 1HD2 LEU 33 16.553 1.379 -0.899 260 HD23 LEU 33 2HD2 LEU 33 15.287 0.292 -1.459 261 H LYS 34 H LYS 34 18.501 -1.147 2.432 262 HA LYS 34 HA LYS 34 17.881 -3.697 3.380 263 HB2 LYS 34 2HB LYS 34 20.115 -3.025 2.484 264 HB3 LYS 34 1HB LYS 34 20.400 -2.118 3.967 265 HG2 LYS 34 2HG LYS 34 21.471 -4.204 4.326 266 HG3 LYS 34 1HG LYS 34 19.949 -4.330 5.208 267 HD2 LYS 34 2HD LYS 34 18.939 -5.602 3.401 268 HD3 LYS 34 1HD LYS 34 20.345 -5.339 2.379 269 HE2 LYS 34 2HE LYS 34 19.890 -7.433 4.299 270 HE3 LYS 34 1HE LYS 34 21.267 -7.227 3.219 271 HZ1 LYS 34 3HZ LYS 34 21.656 -7.228 5.744 272 HZ2 LYS 34 1HZ LYS 34 21.058 -5.642 5.696 273 HZ3 LYS 34 2HZ LYS 34 22.443 -6.053 4.802 274 H GLU 35 H GLU 35 18.423 -0.627 5.074 275 HA GLU 35 HA GLU 35 18.292 -1.854 7.685 276 HB2 GLU 35 2HB GLU 35 18.166 1.020 6.784 277 HB3 GLU 35 1HB GLU 35 18.177 0.513 8.472 278 HG2 GLU 35 2HG GLU 35 20.324 -0.672 8.073 279 HG3 GLU 35 1HG GLU 35 20.321 -0.082 6.412 280 H LEU 36 H LEU 36 15.986 -0.053 5.631 281 HA LEU 36 HA LEU 36 13.979 0.180 7.611 282 HB2 LEU 36 2HB LEU 36 14.232 1.405 5.343 283 HB3 LEU 36 1HB LEU 36 13.385 0.018 4.666 284 HG LEU 36 HG LEU 36 12.337 1.806 6.908 285 HD11 LEU 36 1HD1 LEU 36 12.475 2.467 4.268 286 HD12 LEU 36 2HD1 LEU 36 11.203 3.020 5.357 287 HD13 LEU 36 3HD1 LEU 36 10.927 1.638 4.309 288 HD21 LEU 36 3HD2 LEU 36 11.315 -0.705 5.619 289 HD22 LEU 36 1HD2 LEU 36 10.166 0.523 6.131 290 HD23 LEU 36 2HD2 LEU 36 11.253 -0.200 7.303 291 H LEU 37 H LEU 37 14.348 -2.288 4.993 292 HA LEU 37 HA LEU 37 11.950 -3.629 5.718 293 HB2 LEU 37 2HB LEU 37 14.395 -4.601 4.240 294 HB3 LEU 37 1HB LEU 37 13.008 -5.635 4.555 295 HG LEU 37 HG LEU 37 13.100 -4.392 2.284 296 HD11 LEU 37 1HD1 LEU 37 10.717 -4.250 2.188 297 HD12 LEU 37 2HD1 LEU 37 10.596 -3.912 3.912 298 HD13 LEU 37 3HD1 LEU 37 11.071 -5.517 3.362 299 HD21 LEU 37 3HD2 LEU 37 12.075 -2.133 4.004 300 HD22 LEU 37 1HD2 LEU 37 12.334 -2.114 2.265 301 HD23 LEU 37 2HD2 LEU 37 13.707 -2.202 3.359 302 H GLN 38 H GLN 38 15.332 -4.117 6.695 303 HA GLN 38 HA GLN 38 14.842 -6.418 8.260 304 HB2 GLN 38 2HB GLN 38 17.028 -4.342 8.440 305 HB3 GLN 38 1HB GLN 38 17.016 -5.852 9.352 306 HG2 GLN 38 2HG GLN 38 16.954 -7.138 7.264 307 HG3 GLN 38 1HG GLN 38 16.909 -5.648 6.324 308 HE21 GLN 38 1HE2 GLN 38 19.032 -7.533 5.986 309 HE22 GLN 38 2HE2 GLN 38 20.466 -6.834 6.565 310 H THR 39 H THR 39 14.798 -2.960 9.090 311 HA THR 39 HA THR 39 14.449 -3.434 11.888 312 HB THR 39 HB THR 39 13.945 -1.045 12.029 313 HG1 THR 39 1HG THR 39 14.314 -0.675 9.318 314 HG21 THR 39 3HG2 THR 39 16.032 -0.381 10.405 315 HG22 THR 39 1HG2 THR 39 16.288 -2.118 10.566 316 HG23 THR 39 2HG2 THR 39 16.223 -1.100 12.003 317 H GLU 40 H GLU 40 12.192 -2.840 9.218 318 HA GLU 40 HA GLU 40 9.942 -2.896 11.075 319 HB2 GLU 40 2HB GLU 40 10.133 -2.378 8.118 320 HB3 GLU 40 1HB GLU 40 8.620 -2.477 8.996 321 HG2 GLU 40 2HG GLU 40 10.850 -0.573 9.717 322 HG3 GLU 40 1HG GLU 40 9.452 -0.133 8.740 323 H LEU 41 H LEU 41 10.830 -4.663 8.089 324 HA LEU 41 HA LEU 41 8.990 -6.812 8.912 325 HB2 LEU 41 2HB LEU 41 10.375 -6.425 6.253 326 HB3 LEU 41 1HB LEU 41 9.118 -7.597 6.619 327 HG LEU 41 HG LEU 41 8.814 -4.577 6.602 328 HD11 LEU 41 1HD1 LEU 41 8.902 -6.055 4.435 329 HD12 LEU 41 2HD1 LEU 41 7.622 -4.856 4.607 330 HD13 LEU 41 3HD1 LEU 41 7.288 -6.557 4.930 331 HD21 LEU 41 3HD2 LEU 41 7.281 -5.226 8.270 332 HD22 LEU 41 1HD2 LEU 41 6.980 -6.796 7.517 333 HD23 LEU 41 2HD2 LEU 41 6.305 -5.331 6.810 334 H SER 42 H SER 42 9.606 -8.904 9.186 335 HA SER 42 HA SER 42 12.540 -9.349 9.288 336 HB2 SER 42 2HB SER 42 11.184 -9.425 11.454 337 HB3 SER 42 1HB SER 42 10.473 -10.911 10.829 338 HG SER 42 HG SER 42 12.947 -11.297 10.429 339 H GLY 43 H GLY 43 9.566 -11.301 9.032 340 HA2 GLY 43 2HA GLY 43 10.737 -13.537 7.864 341 HA3 GLY 43 1HA GLY 43 9.036 -13.123 7.758 342 H PHE 44 H PHE 44 9.336 -10.691 6.180 343 HA PHE 44 HA PHE 44 9.313 -11.865 3.626 344 HB2 PHE 44 2HB PHE 44 9.544 -8.986 4.485 345 HB3 PHE 44 1HB PHE 44 9.379 -9.480 2.800 346 HD1 PHE 44 1HD PHE 44 7.337 -10.579 1.995 347 HD2 PHE 44 2HD PHE 44 7.688 -9.241 6.061 348 HE1 PHE 44 1HE PHE 44 4.887 -10.820 2.288 349 HE2 PHE 44 2HE PHE 44 5.240 -9.477 6.351 350 HZ PHE 44 HZ PHE 44 3.838 -10.268 4.466 351 H LEU 45 H LEU 45 11.845 -9.724 5.016 352 HA LEU 45 HA LEU 45 13.584 -10.209 2.775 353 HB2 LEU 45 2HB LEU 45 13.698 -8.574 5.229 354 HB3 LEU 45 1HB LEU 45 15.256 -9.219 4.723 355 HG LEU 45 HG LEU 45 14.664 -6.964 3.717 356 HD11 LEU 45 1HD1 LEU 45 16.226 -7.680 2.263 357 HD12 LEU 45 2HD1 LEU 45 14.952 -8.368 1.261 358 HD13 LEU 45 3HD1 LEU 45 15.741 -9.363 2.491 359 HD21 LEU 45 3HD2 LEU 45 12.935 -8.249 1.674 360 HD22 LEU 45 1HD2 LEU 45 12.806 -6.662 2.430 361 HD23 LEU 45 2HD2 LEU 45 12.185 -8.081 3.265 362 H ASP 46 H ASP 46 13.277 -11.533 5.990 363 HA ASP 46 HA ASP 46 15.663 -12.978 6.038 364 HB2 ASP 46 2HB ASP 46 14.156 -12.642 8.001 365 HB3 ASP 46 1HB ASP 46 13.040 -13.811 7.298 366 H ALA 47 H ALA 47 12.633 -13.609 4.440 367 HA ALA 47 HA ALA 47 12.787 -16.346 4.028 368 HB1 ALA 47 1HB ALA 47 11.641 -14.136 2.328 369 HB2 ALA 47 2HB ALA 47 10.787 -15.234 3.412 370 HB3 ALA 47 3HB ALA 47 11.473 -15.840 1.905 371 H GLN 48 H GLN 48 14.551 -13.764 2.326 372 HA GLN 48 HA GLN 48 15.616 -15.795 0.465 373 HB2 GLN 48 2HB GLN 48 16.230 -12.836 0.515 374 HB3 GLN 48 1HB GLN 48 16.509 -13.982 -0.796 375 HG2 GLN 48 2HG GLN 48 13.816 -13.088 0.266 376 HG3 GLN 48 1HG GLN 48 14.520 -12.682 -1.299 377 HE21 GLN 48 1HE2 GLN 48 12.186 -14.600 -0.087 378 HE22 GLN 48 2HE2 GLN 48 12.300 -15.930 -1.137 379 H LYS 49 H LYS 49 17.355 -16.868 1.099 380 HA LYS 49 HA LYS 49 18.900 -16.227 3.350 381 HB2 LYS 49 2HB LYS 49 19.453 -18.112 1.063 382 HB3 LYS 49 1HB LYS 49 20.398 -18.049 2.552 383 HG2 LYS 49 2HG LYS 49 18.308 -18.473 3.850 384 HG3 LYS 49 1HG LYS 49 17.435 -18.653 2.327 385 HD2 LYS 49 2HD LYS 49 19.009 -20.491 1.696 386 HD3 LYS 49 1HD LYS 49 19.750 -20.358 3.292 387 HE2 LYS 49 2HE LYS 49 18.150 -22.111 3.492 388 HE3 LYS 49 1HE LYS 49 17.396 -20.707 4.246 389 HZ1 LYS 49 3HZ LYS 49 16.067 -20.335 2.371 390 HZ2 LYS 49 1HZ LYS 49 15.995 -22.011 2.621 391 HZ3 LYS 49 2HZ LYS 49 16.984 -21.379 1.393 392 H ASP 50 H ASP 50 19.550 -15.590 -0.076 393 HA ASP 50 HA ASP 50 22.264 -14.852 0.353 394 HB2 ASP 50 2HB ASP 50 20.405 -14.253 -1.943 395 HB3 ASP 50 1HB ASP 50 22.131 -13.877 -1.920 396 H VAL 51 H VAL 51 23.262 -12.911 0.536 397 HA VAL 51 HA VAL 51 21.769 -10.725 1.672 398 HB VAL 51 HB VAL 51 23.872 -9.615 1.914 399 HG11 VAL 51 1HG1 VAL 51 24.855 -12.424 2.152 400 HG12 VAL 51 2HG1 VAL 51 23.409 -11.987 3.063 401 HG13 VAL 51 3HG1 VAL 51 24.914 -11.106 3.321 402 HG21 VAL 51 3HG2 VAL 51 24.759 -9.838 -0.334 403 HG22 VAL 51 1HG2 VAL 51 24.917 -11.585 -0.148 404 HG23 VAL 51 2HG2 VAL 51 25.940 -10.502 0.791 405 H ASP 52 H ASP 52 22.972 -11.715 -1.387 406 HA ASP 52 HA ASP 52 22.884 -9.313 -2.859 407 HB2 ASP 52 2HB ASP 52 22.462 -12.194 -3.701 408 HB3 ASP 52 1HB ASP 52 22.603 -10.847 -4.830 409 H ALA 53 H ALA 53 20.503 -11.438 -1.615 410 HA ALA 53 HA ALA 53 18.335 -11.119 -3.277 411 HB1 ALA 53 1HB ALA 53 16.964 -11.619 -1.388 412 HB2 ALA 53 2HB ALA 53 18.216 -11.085 -0.265 413 HB3 ALA 53 3HB ALA 53 18.459 -12.547 -1.226 414 H VAL 54 H VAL 54 19.603 -8.830 -0.854 415 HA VAL 54 HA VAL 54 17.411 -7.056 -0.856 416 HB VAL 54 HB VAL 54 19.420 -6.932 0.680 417 HG11 VAL 54 1HG1 VAL 54 20.717 -5.432 -1.598 418 HG12 VAL 54 2HG1 VAL 54 21.025 -7.147 -1.330 419 HG13 VAL 54 3HG1 VAL 54 21.450 -5.971 -0.088 420 HG21 VAL 54 3HG2 VAL 54 18.433 -4.541 -0.876 421 HG22 VAL 54 1HG2 VAL 54 19.561 -4.363 0.468 422 HG23 VAL 54 2HG2 VAL 54 17.967 -5.062 0.746 423 H ASP 55 H ASP 55 20.298 -7.245 -2.912 424 HA ASP 55 HA ASP 55 19.706 -5.000 -4.522 425 HB2 ASP 55 2HB ASP 55 21.298 -7.503 -5.069 426 HB3 ASP 55 1HB ASP 55 21.242 -6.124 -6.166 427 H LYS 56 H LYS 56 18.928 -8.446 -4.782 428 HA LYS 56 HA LYS 56 17.711 -8.358 -7.318 429 HB2 LYS 56 2HB LYS 56 17.117 -10.137 -4.940 430 HB3 LYS 56 1HB LYS 56 16.514 -10.413 -6.574 431 HG2 LYS 56 2HG LYS 56 18.873 -10.464 -7.394 432 HG3 LYS 56 1HG LYS 56 19.422 -10.320 -5.724 433 HD2 LYS 56 2HD LYS 56 18.157 -12.404 -5.173 434 HD3 LYS 56 1HD LYS 56 17.754 -12.570 -6.883 435 HE2 LYS 56 2HE LYS 56 20.586 -12.419 -5.811 436 HE3 LYS 56 1HE LYS 56 19.754 -13.924 -6.201 437 HZ1 LYS 56 3HZ LYS 56 21.241 -12.637 -7.949 438 HZ2 LYS 56 1HZ LYS 56 19.770 -11.845 -8.245 439 HZ3 LYS 56 2HZ LYS 56 19.873 -13.533 -8.409 440 H VAL 57 H VAL 57 16.447 -7.728 -4.075 441 HA VAL 57 HA VAL 57 13.733 -7.444 -4.847 442 HB VAL 57 HB VAL 57 15.278 -6.282 -2.516 443 HG11 VAL 57 1HG1 VAL 57 12.823 -6.152 -1.606 444 HG12 VAL 57 2HG1 VAL 57 12.382 -6.130 -3.314 445 HG13 VAL 57 3HG1 VAL 57 13.421 -4.866 -2.654 446 HG21 VAL 57 3HG2 VAL 57 13.223 -8.495 -2.479 447 HG22 VAL 57 1HG2 VAL 57 14.444 -8.112 -1.264 448 HG23 VAL 57 2HG2 VAL 57 14.923 -8.835 -2.801 449 H MET 58 H MET 58 16.390 -5.115 -4.448 450 HA MET 58 HA MET 58 14.780 -2.874 -5.139 451 HB2 MET 58 2HB MET 58 16.578 -1.569 -4.667 452 HB3 MET 58 1HB MET 58 17.030 -3.023 -3.795 453 HG2 MET 58 2HG MET 58 18.989 -2.794 -4.929 454 HG3 MET 58 1HG MET 58 18.116 -3.537 -6.260 455 HE1 MET 58 3HE MET 58 20.051 0.011 -5.367 456 HE2 MET 58 1HE MET 58 18.803 -0.612 -4.278 457 HE3 MET 58 2HE MET 58 18.496 0.828 -5.244 458 H LYS 59 H LYS 59 16.778 -4.997 -7.180 459 HA LYS 59 HA LYS 59 17.063 -3.266 -9.365 460 HB2 LYS 59 2HB LYS 59 16.763 -6.251 -9.387 461 HB3 LYS 59 1HB LYS 59 17.250 -5.264 -10.766 462 HG2 LYS 59 2HG LYS 59 18.926 -4.355 -8.715 463 HG3 LYS 59 1HG LYS 59 18.815 -6.089 -8.417 464 HD2 LYS 59 2HD LYS 59 19.443 -4.845 -11.072 465 HD3 LYS 59 1HD LYS 59 20.666 -5.483 -9.966 466 HE2 LYS 59 2HE LYS 59 18.528 -7.005 -11.469 467 HE3 LYS 59 1HE LYS 59 20.268 -7.275 -11.474 468 HZ1 LYS 59 3HZ LYS 59 19.699 -7.557 -8.880 469 HZ2 LYS 59 1HZ LYS 59 19.763 -8.846 -9.981 470 HZ3 LYS 59 2HZ LYS 59 18.267 -8.150 -9.576 471 H GLU 60 H GLU 60 14.297 -5.418 -8.602 472 HA GLU 60 HA GLU 60 12.966 -4.805 -11.066 473 HB2 GLU 60 2HB GLU 60 11.118 -6.021 -10.217 474 HB3 GLU 60 1HB GLU 60 12.543 -6.836 -9.575 475 HG2 GLU 60 2HG GLU 60 12.288 -5.504 -7.472 476 HG3 GLU 60 1HG GLU 60 10.782 -4.849 -8.108 477 H LEU 61 H LEU 61 12.992 -3.455 -7.844 478 HA LEU 61 HA LEU 61 10.766 -1.722 -8.151 479 HB2 LEU 61 2HB LEU 61 13.154 -1.460 -6.323 480 HB3 LEU 61 1HB LEU 61 11.661 -0.545 -6.183 481 HG LEU 61 HG LEU 61 11.906 -3.553 -5.945 482 HD11 LEU 61 1HD1 LEU 61 12.658 -1.707 -4.081 483 HD12 LEU 61 2HD1 LEU 61 12.005 -3.287 -3.673 484 HD13 LEU 61 3HD1 LEU 61 10.947 -1.876 -3.686 485 HD21 LEU 61 3HD2 LEU 61 9.499 -3.085 -4.975 486 HD22 LEU 61 1HD2 LEU 61 9.713 -3.273 -6.703 487 HD23 LEU 61 2HD2 LEU 61 9.569 -1.661 -5.990 488 H ASP 62 H ASP 62 14.193 -1.336 -8.893 489 HA ASP 62 HA ASP 62 13.939 1.484 -9.221 490 HB2 ASP 62 2HB ASP 62 16.105 0.300 -8.827 491 HB3 ASP 62 1HB ASP 62 16.015 -0.304 -10.484 492 H GLU 63 H GLU 63 12.081 1.704 -10.482 493 HA GLU 63 HA GLU 63 11.729 0.711 -13.114 494 HB2 GLU 63 2HB GLU 63 9.900 1.671 -11.844 495 HB3 GLU 63 1HB GLU 63 10.770 3.202 -11.687 496 HG2 GLU 63 2HG GLU 63 10.715 3.511 -14.101 497 HG3 GLU 63 1HG GLU 63 9.822 1.984 -14.301 498 H ASN 64 H ASN 64 12.918 3.667 -11.791 499 HA ASN 64 HA ASN 64 13.510 5.120 -14.079 500 HB2 ASN 64 2HB ASN 64 14.722 4.985 -11.369 501 HB3 ASN 64 1HB ASN 64 14.982 6.335 -12.470 502 HD21 ASN 64 1HD2 ASN 64 12.427 6.846 -13.416 503 HD22 ASN 64 2HD2 ASN 64 11.370 7.177 -12.130 504 H GLY 65 H GLY 65 15.367 2.719 -12.286 505 HA2 GLY 65 2HA GLY 65 17.180 1.436 -13.009 506 HA3 GLY 65 1HA GLY 65 17.215 2.375 -14.505 507 H ASP 66 H ASP 66 16.924 4.181 -11.644 508 HA ASP 66 HA ASP 66 19.533 5.374 -12.056 509 HB2 ASP 66 2HB ASP 66 18.739 7.041 -10.427 510 HB3 ASP 66 1HB ASP 66 17.563 6.788 -11.714 511 H GLY 67 H GLY 67 18.617 2.725 -10.364 512 HA2 GLY 67 2HA GLY 67 19.907 1.451 -8.906 513 HA3 GLY 67 1HA GLY 67 20.992 2.824 -8.715 514 H GLU 68 H GLU 68 17.924 3.958 -8.293 515 HA GLU 68 HA GLU 68 18.021 3.565 -5.359 516 HB2 GLU 68 2HB GLU 68 17.137 5.984 -6.911 517 HB3 GLU 68 1HB GLU 68 16.871 5.771 -5.190 518 HG2 GLU 68 2HG GLU 68 18.807 7.045 -5.245 519 HG3 GLU 68 1HG GLU 68 19.446 5.406 -5.094 520 H VAL 69 H VAL 69 16.058 3.626 -4.233 521 HA VAL 69 HA VAL 69 13.740 2.738 -5.824 522 HB VAL 69 HB VAL 69 14.297 2.325 -2.880 523 HG11 VAL 69 1HG1 VAL 69 12.434 0.707 -3.037 524 HG12 VAL 69 2HG1 VAL 69 12.177 1.199 -4.709 525 HG13 VAL 69 3HG1 VAL 69 11.915 2.353 -3.398 526 HG21 VAL 69 3HG2 VAL 69 15.878 1.026 -4.058 527 HG22 VAL 69 1HG2 VAL 69 14.683 0.529 -5.256 528 HG23 VAL 69 2HG2 VAL 69 14.578 -0.072 -3.601 529 H ASP 70 H ASP 70 11.979 4.052 -5.824 530 HA ASP 70 HA ASP 70 12.142 6.495 -4.198 531 HB2 ASP 70 2HB ASP 70 11.973 6.685 -6.687 532 HB3 ASP 70 1HB ASP 70 10.374 5.987 -6.578 533 H PHE 71 H PHE 71 10.177 7.407 -3.346 534 HA PHE 71 HA PHE 71 8.904 5.822 -1.488 535 HB2 PHE 71 2HB PHE 71 8.986 8.381 -1.793 536 HB3 PHE 71 1HB PHE 71 7.620 8.182 -2.872 537 HD1 PHE 71 1HD PHE 71 6.796 5.683 -0.700 538 HD2 PHE 71 2HD PHE 71 7.360 9.936 -0.656 539 HE1 PHE 71 1HE PHE 71 5.261 5.862 1.228 540 HE2 PHE 71 2HE PHE 71 5.835 10.103 1.272 541 HZ PHE 71 HZ PHE 71 4.790 8.073 2.215 542 H GLN 72 H GLN 72 7.763 6.695 -4.776 543 HA GLN 72 HA GLN 72 5.281 5.321 -4.592 544 HB2 GLN 72 2HB GLN 72 7.007 5.970 -7.000 545 HB3 GLN 72 1HB GLN 72 5.351 5.367 -7.089 546 HG2 GLN 72 2HG GLN 72 4.560 7.312 -5.823 547 HG3 GLN 72 1HG GLN 72 6.198 7.917 -5.675 548 HE21 GLN 72 1HE2 GLN 72 4.228 9.503 -6.892 549 HE22 GLN 72 2HE2 GLN 72 4.560 9.627 -8.547 550 H GLU 73 H GLU 73 8.522 4.262 -5.654 551 HA GLU 73 HA GLU 73 7.763 1.698 -6.579 552 HB2 GLU 73 2HB GLU 73 10.379 2.650 -5.396 553 HB3 GLU 73 1HB GLU 73 10.164 1.141 -6.272 554 HG2 GLU 73 2HG GLU 73 9.437 2.458 -8.274 555 HG3 GLU 73 1HG GLU 73 9.781 3.940 -7.384 556 H TYR 74 H TYR 74 8.851 2.931 -3.479 557 HA TYR 74 HA TYR 74 8.959 0.528 -1.995 558 HB2 TYR 74 2HB TYR 74 9.969 2.711 -1.342 559 HB3 TYR 74 1HB TYR 74 8.350 3.344 -1.058 560 HD1 TYR 74 1HD TYR 74 10.937 1.010 0.102 561 HD2 TYR 74 2HD TYR 74 7.021 2.604 0.846 562 HE1 TYR 74 1HE TYR 74 10.982 0.059 2.387 563 HE2 TYR 74 2HE TYR 74 7.065 1.643 3.132 564 HH TYR 74 HH TYR 74 9.916 -0.167 4.289 565 H VAL 75 H VAL 75 6.497 2.910 -2.569 566 HA VAL 75 HA VAL 75 4.534 1.960 -0.805 567 HB VAL 75 HB VAL 75 4.736 4.121 -2.648 568 HG11 VAL 75 1HG1 VAL 75 2.362 2.397 -3.312 569 HG12 VAL 75 2HG1 VAL 75 3.594 2.985 -4.409 570 HG13 VAL 75 3HG1 VAL 75 2.459 4.109 -3.673 571 HG21 VAL 75 3HG2 VAL 75 3.880 4.483 -0.473 572 HG22 VAL 75 1HG2 VAL 75 2.602 3.280 -0.689 573 HG23 VAL 75 2HG2 VAL 75 2.538 4.802 -1.573 574 H VAL 76 H VAL 76 5.039 1.256 -4.287 575 HA VAL 76 HA VAL 76 2.841 -0.579 -4.288 576 HB VAL 76 HB VAL 76 3.623 -1.368 -6.431 577 HG11 VAL 76 1HG1 VAL 76 4.249 1.582 -6.398 578 HG12 VAL 76 2HG1 VAL 76 2.615 1.000 -6.073 579 HG13 VAL 76 3HG1 VAL 76 3.384 0.652 -7.622 580 HG21 VAL 76 3HG2 VAL 76 6.078 -1.410 -5.757 581 HG22 VAL 76 1HG2 VAL 76 6.085 0.324 -6.041 582 HG23 VAL 76 2HG2 VAL 76 5.750 -0.776 -7.368 583 H LEU 77 H LEU 77 6.308 -0.881 -3.503 584 HA LEU 77 HA LEU 77 6.415 -3.693 -3.478 585 HB2 LEU 77 2HB LEU 77 8.416 -2.320 -3.159 586 HB3 LEU 77 1HB LEU 77 7.787 -1.715 -1.641 587 HG LEU 77 HG LEU 77 7.791 -4.149 -0.816 588 HD11 LEU 77 1HD1 LEU 77 9.001 -5.809 -1.923 589 HD12 LEU 77 2HD1 LEU 77 9.853 -4.660 -2.935 590 HD13 LEU 77 3HD1 LEU 77 8.169 -5.035 -3.264 591 HD21 LEU 77 3HD2 LEU 77 9.423 -2.749 0.097 592 HD22 LEU 77 1HD2 LEU 77 10.238 -2.529 -1.452 593 HD23 LEU 77 2HD2 LEU 77 10.378 -4.063 -0.591 594 H VAL 78 H VAL 78 5.551 -1.501 -0.749 595 HA VAL 78 HA VAL 78 4.983 -3.730 0.949 596 HB VAL 78 HB VAL 78 3.925 -2.173 2.503 597 HG11 VAL 78 1HG1 VAL 78 6.175 -2.196 2.906 598 HG12 VAL 78 2HG1 VAL 78 5.970 -0.489 2.515 599 HG13 VAL 78 3HG1 VAL 78 6.590 -1.605 1.296 600 HG21 VAL 78 3HG2 VAL 78 4.439 0.004 0.451 601 HG22 VAL 78 1HG2 VAL 78 3.695 0.181 2.037 602 HG23 VAL 78 2HG2 VAL 78 2.852 -0.698 0.769 603 H ALA 79 H ALA 79 2.972 -1.790 -1.222 604 HA ALA 79 HA ALA 79 0.505 -2.873 -0.223 605 HB1 ALA 79 1HB ALA 79 -0.508 -1.620 -1.823 606 HB2 ALA 79 2HB ALA 79 0.667 -2.046 -3.073 607 HB3 ALA 79 3HB ALA 79 1.063 -0.837 -1.861 608 H ALA 80 H ALA 80 2.495 -3.723 -3.046 609 HA ALA 80 HA ALA 80 0.877 -5.858 -3.932 610 HB1 ALA 80 1HB ALA 80 2.482 -4.960 -5.450 611 HB2 ALA 80 2HB ALA 80 3.015 -6.605 -5.086 612 HB3 ALA 80 3HB ALA 80 3.809 -5.230 -4.317 613 H LEU 81 H LEU 81 3.595 -5.636 -1.646 614 HA LEU 81 HA LEU 81 3.712 -8.451 -1.203 615 HB2 LEU 81 2HB LEU 81 4.848 -6.081 0.204 616 HB3 LEU 81 1HB LEU 81 4.732 -7.593 1.100 617 HG LEU 81 HG LEU 81 5.931 -8.740 -0.789 618 HD11 LEU 81 1HD1 LEU 81 6.771 -6.036 -1.765 619 HD12 LEU 81 2HD1 LEU 81 5.335 -6.799 -2.432 620 HD13 LEU 81 3HD1 LEU 81 6.896 -7.590 -2.571 621 HD21 LEU 81 3HD2 LEU 81 7.297 -6.435 0.616 622 HD22 LEU 81 1HD2 LEU 81 8.168 -7.685 -0.273 623 HD23 LEU 81 2HD2 LEU 81 7.212 -8.116 1.145 624 H THR 82 H THR 82 1.753 -5.839 0.158 625 HA THR 82 HA THR 82 0.739 -7.302 2.362 626 HB THR 82 HB THR 82 -0.685 -5.182 0.738 627 HG1 THR 82 1HG THR 82 0.461 -3.748 1.816 628 HG21 THR 82 3HG2 THR 82 -1.394 -4.813 3.329 629 HG22 THR 82 1HG2 THR 82 -1.194 -6.563 3.315 630 HG23 THR 82 2HG2 THR 82 -2.327 -5.795 2.201 631 H VAL 83 H VAL 83 -0.621 -6.837 -0.927 632 HA VAL 83 HA VAL 83 -2.824 -8.594 -0.440 633 HB VAL 83 HB VAL 83 -2.867 -6.996 -2.326 634 HG11 VAL 83 1HG1 VAL 83 -1.629 -7.341 -4.326 635 HG12 VAL 83 2HG1 VAL 83 -1.056 -8.919 -3.797 636 HG13 VAL 83 3HG1 VAL 83 -0.463 -7.454 -3.034 637 HG21 VAL 83 3HG2 VAL 83 -3.062 -9.742 -3.530 638 HG22 VAL 83 1HG2 VAL 83 -4.171 -8.377 -3.677 639 HG23 VAL 83 2HG2 VAL 83 -4.117 -9.309 -2.181 640 H ALA 84 H ALA 84 0.434 -9.159 -1.696 641 HA ALA 84 HA ALA 84 0.023 -11.882 -2.394 642 HB1 ALA 84 1HB ALA 84 2.620 -10.623 -1.505 643 HB2 ALA 84 2HB ALA 84 1.946 -10.416 -3.123 644 HB3 ALA 84 3HB ALA 84 2.400 -12.024 -2.556 645 H CYS 85 H CHC 85 0.710 -10.194 0.566 646 HA CYS 85 HA CHC 85 1.578 -12.422 2.097 647 HB2 CYS 85 2HB CHC 85 1.920 -9.997 2.704 648 HB3 CYS 85 1HB CHC 85 0.206 -9.924 3.112 649 H ASN 86 H ASN 86 -1.582 -10.689 1.975 650 HA ASN 86 HA ASN 86 -2.901 -12.554 3.632 651 HB2 ASN 86 2HB ASN 86 -3.838 -10.332 2.819 652 HB3 ASN 86 1HB ASN 86 -4.218 -11.155 1.305 653 HD21 ASN 86 1HD2 ASN 86 -6.359 -10.167 2.868 654 HD22 ASN 86 2HD2 ASN 86 -7.198 -11.473 3.551 655 H ASN 87 H ASN 87 -2.277 -12.510 0.140 656 HA ASN 87 HA ASN 87 -3.738 -14.846 -0.563 657 HB2 ASN 87 2HB ASN 87 -1.156 -13.753 -1.716 658 HB3 ASN 87 1HB ASN 87 -2.180 -14.965 -2.478 659 HD21 ASN 87 1HD2 ASN 87 -4.746 -13.845 -1.904 660 HD22 ASN 87 2HD2 ASN 87 -4.886 -12.372 -2.738 661 H PHE 88 H PHE 88 -0.443 -14.416 0.729 662 HA PHE 88 HA PHE 88 0.159 -17.173 0.464 663 HB2 PHE 88 2HB PHE 88 1.894 -15.427 0.888 664 HB3 PHE 88 1HB PHE 88 1.263 -15.217 2.521 665 HD1 PHE 88 1HD PHE 88 2.941 -17.582 0.214 666 HD2 PHE 88 2HD PHE 88 1.683 -16.836 4.253 667 HE1 PHE 88 1HE PHE 88 4.307 -19.500 0.993 668 HE2 PHE 88 2HE PHE 88 3.048 -18.754 5.033 669 HZ PHE 88 HZ PHE 88 4.360 -20.086 3.403 670 H PHE 89 H PHE 89 -1.370 -15.288 3.079 671 HA PHE 89 HA PHE 89 -1.407 -17.381 4.975 672 HB2 PHE 89 2HB PHE 89 -1.833 -15.000 5.509 673 HB3 PHE 89 1HB PHE 89 -3.387 -15.115 4.683 674 HD1 PHE 89 1HD PHE 89 -1.405 -16.324 7.572 675 HD2 PHE 89 2HD PHE 89 -5.262 -16.251 5.681 676 HE1 PHE 89 1HE PHE 89 -2.433 -17.251 9.630 677 HE2 PHE 89 2HE PHE 89 -6.289 -17.177 7.738 678 HZ PHE 89 HZ PHE 89 -4.875 -17.678 9.713 679 H TRP 90 H TRP 90 -4.204 -16.230 2.971 680 HA TRP 90 HA TRP 90 -5.749 -18.559 3.642 681 HB2 TRP 90 2HB TRP 90 -6.842 -16.473 2.921 682 HB3 TRP 90 1HB TRP 90 -6.162 -16.700 1.301 683 HD1 TRP 90 HD TRP 90 -6.802 -19.025 0.062 684 HE1 TRP 90 1HE TRP 90 -8.963 -20.394 0.116 685 HE3 TRP 90 3HE TRP 90 -8.901 -17.127 4.301 686 HZ2 TRP 90 2HZ TRP 90 -11.312 -20.648 1.750 687 HZ3 TRP 90 3HZ TRP 90 -11.103 -17.949 5.086 688 HH2 TRP 90 HH TRP 90 -12.311 -19.705 3.817 689 H GLU 91 H GLU 91 -3.881 -17.608 0.859 690 HA GLU 91 HA GLU 91 -4.241 -20.220 -0.412 691 HB2 GLU 91 2HB GLU 91 -3.248 -17.546 -1.353 692 HB3 GLU 91 1HB GLU 91 -2.928 -18.962 -2.278 693 HG2 GLU 91 2HG GLU 91 -5.418 -19.391 -2.297 694 HG3 GLU 91 1HG GLU 91 -5.621 -17.865 -1.437 695 H ASN 92 H ASN 92 -2.532 -21.573 -0.915 696 HA ASN 92 HA ASN 92 -0.508 -22.614 -0.605 697 HB2 ASN 92 2HB ASN 92 0.126 -20.484 -1.919 698 HB3 ASN 92 1HB ASN 92 0.728 -19.880 -0.377 699 HD21 ASN 92 1HD2 ASN 92 2.927 -19.975 -1.456 700 HD22 ASN 92 2HD2 ASN 92 3.742 -21.464 -1.506 701 H SER 93 H SER 93 -2.012 -22.382 1.696 702 HA SER 93 HA SER 93 -1.100 -21.201 3.950 703 HB2 SER 93 2HB SER 93 -1.693 -23.351 5.161 704 HB3 SER 93 1HB SER 93 -2.950 -22.715 4.102 705 HG SER 93 HG SER 93 -2.361 -24.213 2.555 706 H1 GLY 1 H GLY 1 9.437 -2.409 15.765 707 HA2 GLY 1 2HA GLY 1 9.661 -1.675 12.953 708 HA3 GLY 1 1HA GLY 1 10.196 -3.185 13.684 709 H SER 2 H SER 2 7.576 -3.477 15.044 710 HA SER 2 HA SER 2 6.282 -5.074 13.084 711 HB2 SER 2 2HB SER 2 4.645 -5.517 14.796 712 HB3 SER 2 1HB SER 2 6.235 -5.490 15.554 713 HG SER 2 HG SER 2 4.737 -3.122 15.368 714 H GLU 3 H GLU 3 6.137 -1.724 13.773 715 HA GLU 3 HA GLU 3 3.451 -1.135 13.306 716 HB2 GLU 3 2HB GLU 3 5.920 0.487 12.713 717 HB3 GLU 3 1HB GLU 3 4.279 1.126 12.648 718 HG2 GLU 3 2HG GLU 3 3.946 0.462 15.009 719 HG3 GLU 3 1HG GLU 3 5.613 -0.110 15.071 720 H LEU 4 H LEU 4 6.080 -1.467 10.850 721 HA LEU 4 HA LEU 4 4.399 -0.566 8.718 722 HB2 LEU 4 2HB LEU 4 6.966 -0.973 8.753 723 HB3 LEU 4 1HB LEU 4 6.544 -2.648 8.396 724 HG LEU 4 HG LEU 4 5.515 -0.315 6.762 725 HD11 LEU 4 1HD1 LEU 4 8.047 -0.445 6.790 726 HD12 LEU 4 2HD1 LEU 4 7.278 -0.563 5.208 727 HD13 LEU 4 3HD1 LEU 4 7.887 -2.013 5.995 728 HD21 LEU 4 3HD2 LEU 4 5.136 -3.209 6.624 729 HD22 LEU 4 1HD2 LEU 4 5.770 -2.555 5.117 730 HD23 LEU 4 2HD2 LEU 4 4.287 -1.909 5.797 731 H GLU 5 H GLU 5 5.160 -3.694 10.138 732 HA GLU 5 HA GLU 5 3.643 -5.323 8.397 733 HB2 GLU 5 2HB GLU 5 5.437 -5.888 10.268 734 HB3 GLU 5 1HB GLU 5 4.008 -6.026 11.289 735 HG2 GLU 5 2HG GLU 5 4.323 -7.478 8.646 736 HG3 GLU 5 1HG GLU 5 4.738 -8.185 10.203 737 H THR 6 H THR 6 2.919 -3.639 11.415 738 HA THR 6 HA THR 6 0.331 -4.667 11.834 739 HB THR 6 HB THR 6 1.345 -1.895 12.518 740 HG1 THR 6 1HG THR 6 1.566 -3.216 14.611 741 HG21 THR 6 3HG2 THR 6 -0.910 -3.628 13.550 742 HG22 THR 6 1HG2 THR 6 -1.029 -2.023 12.829 743 HG23 THR 6 2HG2 THR 6 -0.303 -2.222 14.424 744 H ALA 7 H ALA 7 1.557 -1.949 9.940 745 HA ALA 7 HA ALA 7 -0.959 -0.889 9.179 746 HB1 ALA 7 1HB ALA 7 0.241 0.411 7.620 747 HB2 ALA 7 2HB ALA 7 1.491 -0.814 7.429 748 HB3 ALA 7 3HB ALA 7 1.403 0.132 8.914 749 H MET 8 H MET 8 1.215 -3.263 7.654 750 HA MET 8 HA MET 8 -0.312 -3.708 5.308 751 HB2 MET 8 2HB MET 8 1.509 -5.539 6.906 752 HB3 MET 8 1HB MET 8 0.881 -5.933 5.306 753 HG2 MET 8 2HG MET 8 1.950 -3.904 4.385 754 HG3 MET 8 1HG MET 8 2.587 -3.509 5.969 755 HE1 MET 8 3HE MET 8 2.566 -5.636 2.937 756 HE2 MET 8 1HE MET 8 2.377 -7.051 3.981 757 HE3 MET 8 2HE MET 8 3.875 -6.803 3.089 758 H GLU 9 H GLU 9 -0.435 -5.155 8.538 759 HA GLU 9 HA GLU 9 -2.457 -7.060 7.970 760 HB2 GLU 9 2HB GLU 9 -1.633 -5.743 10.568 761 HB3 GLU 9 1HB GLU 9 -2.800 -7.061 10.456 762 HG2 GLU 9 2HG GLU 9 0.065 -7.190 9.473 763 HG3 GLU 9 1HG GLU 9 -0.518 -7.887 10.981 764 H THR 10 H THR 10 -2.510 -3.669 8.968 765 HA THR 10 HA THR 10 -5.276 -3.562 9.543 766 HB THR 10 HB THR 10 -3.534 -1.337 8.478 767 HG1 THR 10 1HG THR 10 -2.584 -1.976 10.314 768 HG21 THR 10 3HG2 THR 10 -6.184 -1.430 9.936 769 HG22 THR 10 1HG2 THR 10 -5.855 -0.728 8.350 770 HG23 THR 10 2HG2 THR 10 -5.214 0.034 9.809 771 H LEU 11 H LEU 11 -3.430 -2.995 6.525 772 HA LEU 11 HA LEU 11 -5.686 -2.218 4.990 773 HB2 LEU 11 2HB LEU 11 -3.270 -3.744 3.992 774 HB3 LEU 11 1HB LEU 11 -4.359 -2.760 3.026 775 HG LEU 11 HG LEU 11 -2.439 -1.797 5.157 776 HD11 LEU 11 1HD1 LEU 11 -1.650 -0.430 3.121 777 HD12 LEU 11 2HD1 LEU 11 -2.587 -1.574 2.161 778 HD13 LEU 11 3HD1 LEU 11 -1.249 -2.146 3.157 779 HD21 LEU 11 3HD2 LEU 11 -4.687 -0.378 3.735 780 HD22 LEU 11 1HD2 LEU 11 -3.249 0.504 4.237 781 HD23 LEU 11 2HD2 LEU 11 -4.238 -0.310 5.443 782 H ILE 12 H ILE 12 -4.196 -5.356 5.686 783 HA ILE 12 HA ILE 12 -5.935 -6.886 4.043 784 HB ILE 12 HB ILE 12 -4.489 -7.668 6.579 785 HG12 ILE 12 2HG1 ILE 12 -3.810 -8.221 3.680 786 HG13 ILE 12 1HG1 ILE 12 -3.111 -6.899 4.593 787 HG21 ILE 12 1HG2 ILE 12 -4.784 -9.997 5.498 788 HG22 ILE 12 2HG2 ILE 12 -6.067 -9.243 4.550 789 HG23 ILE 12 3HG2 ILE 12 -6.182 -9.289 6.310 790 HD11 ILE 12 3HD1 ILE 12 -1.792 -9.128 4.483 791 HD12 ILE 12 1HD1 ILE 12 -2.999 -9.730 5.621 792 HD13 ILE 12 2HD1 ILE 12 -1.976 -8.364 6.062 793 H ASN 13 H ASN 13 -6.169 -5.975 7.464 794 HA ASN 13 HA ASN 13 -8.514 -7.397 8.045 795 HB2 ASN 13 2HB ASN 13 -7.391 -4.879 9.264 796 HB3 ASN 13 1HB ASN 13 -8.724 -5.806 9.951 797 HD21 ASN 13 1HD2 ASN 13 -6.257 -5.481 11.371 798 HD22 ASN 13 2HD2 ASN 13 -5.492 -6.994 11.460 799 H VAL 14 H VAL 14 -8.141 -4.039 6.839 800 HA VAL 14 HA VAL 14 -10.966 -3.588 7.042 801 HB VAL 14 HB VAL 14 -10.626 -1.464 5.943 802 HG11 VAL 14 1HG1 VAL 14 -9.394 -0.478 7.644 803 HG12 VAL 14 2HG1 VAL 14 -8.162 -1.738 7.630 804 HG13 VAL 14 3HG1 VAL 14 -9.737 -2.054 8.357 805 HG21 VAL 14 3HG2 VAL 14 -7.937 -2.599 5.186 806 HG22 VAL 14 1HG2 VAL 14 -8.174 -0.866 5.322 807 HG23 VAL 14 2HG2 VAL 14 -9.115 -1.802 4.158 808 H PHE 15 H PHE 15 -8.818 -4.538 4.337 809 HA PHE 15 HA PHE 15 -10.834 -4.444 2.341 810 HB2 PHE 15 2HB PHE 15 -8.479 -4.728 1.743 811 HB3 PHE 15 1HB PHE 15 -8.445 -6.298 2.553 812 HD1 PHE 15 1HD PHE 15 -10.189 -4.408 -0.170 813 HD2 PHE 15 2HD PHE 15 -9.148 -8.242 1.460 814 HE1 PHE 15 1HE PHE 15 -11.113 -5.527 -2.176 815 HE2 PHE 15 2HE PHE 15 -10.064 -9.353 -0.557 816 HZ PHE 15 HZ PHE 15 -11.049 -7.991 -2.379 817 H HIS 16 H HIS 16 -9.727 -7.025 4.483 818 HA HIS 16 HA HIS 16 -11.601 -8.960 3.623 819 HB2 HIS 16 2HB HIS 16 -9.560 -9.512 4.945 820 HB3 HIS 16 1HB HIS 16 -10.284 -8.708 6.339 821 HD1 HIS 16 1HD HIS 16 -11.292 -11.445 3.865 822 HD2 HIS 16 2HD HIS 16 -11.721 -10.469 7.895 823 HE1 HIS 16 1HE HIS 16 -12.566 -13.356 4.934 824 HE2 HIS 16 2HE HIS 16 -12.836 -12.775 7.391 825 H ALA 17 H ALA 17 -11.720 -6.371 5.982 826 HA ALA 17 HA ALA 17 -14.037 -7.181 7.309 827 HB1 ALA 17 1HB ALA 17 -13.419 -4.310 6.531 828 HB2 ALA 17 2HB ALA 17 -12.578 -5.154 7.842 829 HB3 ALA 17 3HB ALA 17 -14.314 -4.887 7.944 830 H HIS 18 H HIS 18 -13.688 -5.083 4.410 831 HA HIS 18 HA HIS 18 -16.583 -5.144 4.090 832 HB2 HIS 18 2HB HIS 18 -14.350 -3.890 2.555 833 HB3 HIS 18 1HB HIS 18 -15.982 -3.943 1.882 834 HD1 HIS 18 1HD HIS 18 -14.365 -3.024 5.224 835 HD2 HIS 18 2HD HIS 18 -17.557 -1.881 2.806 836 HE1 HIS 18 1HE HIS 18 -15.506 -1.102 6.412 837 HE2 HIS 18 2HE HIS 18 -17.457 -0.391 4.949 838 H SER 19 H SER 19 -13.947 -6.491 1.991 839 HA SER 19 HA SER 19 -15.739 -7.641 0.183 840 HB2 SER 19 2HB SER 19 -13.284 -7.541 -0.205 841 HB3 SER 19 1HB SER 19 -13.081 -8.837 0.969 842 HG SER 19 HG SER 19 -13.251 -9.803 -1.034 843 H GLY 20 H GLY 20 -14.359 -8.826 3.209 844 HA2 GLY 20 2HA GLY 20 -15.531 -11.410 3.229 845 HA3 GLY 20 1HA GLY 20 -14.893 -10.556 4.606 846 H LYS 21 H LYS 21 -16.514 -8.305 4.634 847 HA LYS 21 HA LYS 21 -18.748 -9.259 6.050 848 HB2 LYS 21 2HB LYS 21 -17.872 -7.034 6.404 849 HB3 LYS 21 1HB LYS 21 -18.364 -6.541 4.785 850 HG2 LYS 21 2HG LYS 21 -20.720 -6.956 5.418 851 HG3 LYS 21 1HG LYS 21 -20.191 -7.461 7.025 852 HD2 LYS 21 2HD LYS 21 -20.852 -5.136 7.154 853 HD3 LYS 21 1HD LYS 21 -19.102 -5.211 7.299 854 HE2 LYS 21 2HE LYS 21 -20.185 -4.938 4.536 855 HE3 LYS 21 1HE LYS 21 -20.360 -3.535 5.592 856 HZ1 LYS 21 3HZ LYS 21 -18.085 -3.355 5.875 857 HZ2 LYS 21 1HZ LYS 21 -18.220 -3.780 4.239 858 HZ3 LYS 21 2HZ LYS 21 -17.783 -4.954 5.387 859 H GLU 22 H GLU 22 -18.615 -8.089 2.641 860 HA GLU 22 HA GLU 22 -21.346 -9.260 2.379 861 HB2 GLU 22 2HB GLU 22 -21.428 -6.799 2.492 862 HB3 GLU 22 1HB GLU 22 -20.403 -6.722 1.063 863 HG2 GLU 22 2HG GLU 22 -22.101 -8.041 -0.194 864 HG3 GLU 22 1HG GLU 22 -23.138 -8.013 1.230 865 H GLY 23 H GLY 23 -21.899 -10.320 0.580 866 HA2 GLY 23 2HA GLY 23 -21.690 -11.534 -1.348 867 HA3 GLY 23 1HA GLY 23 -20.693 -10.210 -1.926 868 H ASP 24 H ASP 24 -18.977 -11.035 -2.827 869 HA ASP 24 HA ASP 24 -17.768 -13.510 -1.973 870 HB2 ASP 24 2HB ASP 24 -17.898 -12.832 -4.359 871 HB3 ASP 24 1HB ASP 24 -16.802 -11.503 -4.006 872 H LYS 25 H LYS 25 -16.258 -13.733 -0.532 873 HA LYS 25 HA LYS 25 -15.325 -11.687 1.075 874 HB2 LYS 25 2HB LYS 25 -14.075 -14.396 0.617 875 HB3 LYS 25 1HB LYS 25 -13.753 -13.329 1.992 876 HG2 LYS 25 2HG LYS 25 -16.254 -13.394 2.522 877 HG3 LYS 25 1HG LYS 25 -16.419 -14.655 1.303 878 HD2 LYS 25 2HD LYS 25 -14.555 -14.821 3.693 879 HD3 LYS 25 1HD LYS 25 -16.153 -15.561 3.618 880 HE2 LYS 25 2HE LYS 25 -15.171 -16.583 1.353 881 HE3 LYS 25 1HE LYS 25 -13.640 -16.328 2.191 882 HZ1 LYS 25 3HZ LYS 25 -14.182 -18.372 2.975 883 HZ2 LYS 25 1HZ LYS 25 -15.855 -18.116 2.858 884 HZ3 LYS 25 2HZ LYS 25 -14.978 -17.432 4.143 885 H TYR 26 H TYR 26 -13.900 -12.961 -1.869 886 HA TYR 26 HA TYR 26 -11.510 -11.292 -1.405 887 HB2 TYR 26 2HB TYR 26 -11.972 -13.544 -3.364 888 HB3 TYR 26 1HB TYR 26 -10.461 -12.652 -3.161 889 HD1 TYR 26 2HD TYR 26 -9.286 -12.691 -0.934 890 HD2 TYR 26 1HD TYR 26 -12.601 -15.267 -1.839 891 HE1 TYR 26 2HE TYR 26 -8.684 -14.139 0.985 892 HE2 TYR 26 1HE TYR 26 -12.001 -16.715 0.083 893 HH TYR 26 HH TYR 26 -10.557 -17.081 1.720 894 H LYS 27 H LYS 27 -14.280 -10.396 -2.554 895 HA LYS 27 HA LYS 27 -13.009 -8.865 -4.714 896 HB2 LYS 27 2HB LYS 27 -14.262 -10.871 -5.739 897 HB3 LYS 27 1HB LYS 27 -15.723 -10.034 -5.243 898 HG2 LYS 27 2HG LYS 27 -15.375 -9.316 -7.469 899 HG3 LYS 27 1HG LYS 27 -14.769 -7.991 -6.474 900 HD2 LYS 27 2HD LYS 27 -12.484 -8.624 -6.844 901 HD3 LYS 27 1HD LYS 27 -12.944 -10.198 -7.479 902 HE2 LYS 27 2HE LYS 27 -14.091 -8.936 -9.362 903 HE3 LYS 27 1HE LYS 27 -13.279 -7.486 -8.760 904 HZ1 LYS 27 3HZ LYS 27 -12.169 -9.822 -10.098 905 HZ2 LYS 27 1HZ LYS 27 -11.235 -9.147 -8.853 906 HZ3 LYS 27 2HZ LYS 27 -11.695 -8.192 -10.181 907 H LEU 28 H LEU 28 -13.694 -6.788 -4.855 908 HA LEU 28 HA LEU 28 -15.614 -5.953 -2.774 909 HB2 LEU 28 2HB LEU 28 -13.160 -5.300 -2.806 910 HB3 LEU 28 1HB LEU 28 -13.514 -4.355 -4.196 911 HG LEU 28 HG LEU 28 -15.225 -3.081 -2.846 912 HD11 LEU 28 1HD1 LEU 28 -14.834 -3.152 -0.342 913 HD12 LEU 28 2HD1 LEU 28 -13.933 -4.644 -0.575 914 HD13 LEU 28 3HD1 LEU 28 -15.644 -4.574 -0.981 915 HD21 LEU 28 3HD2 LEU 28 -13.427 -1.832 -1.541 916 HD22 LEU 28 1HD2 LEU 28 -13.078 -2.062 -3.256 917 HD23 LEU 28 2HD2 LEU 28 -12.297 -3.077 -2.047 918 H SER 29 H SER 29 -17.513 -5.058 -3.396 919 HA SER 29 HA SER 29 -17.886 -4.366 -6.238 920 HB2 SER 29 2HB SER 29 -20.259 -4.690 -5.853 921 HB3 SER 29 1HB SER 29 -19.375 -6.100 -5.278 922 HG SER 29 HG SER 29 -20.114 -3.908 -3.640 923 H LYS 30 H LYS 30 -19.434 -2.529 -6.675 924 HA LYS 30 HA LYS 30 -18.438 -0.115 -5.778 925 HB2 LYS 30 2HB LYS 30 -19.950 -0.406 -7.729 926 HB3 LYS 30 1HB LYS 30 -21.288 -0.633 -6.603 927 HG2 LYS 30 2HG LYS 30 -20.764 1.644 -5.627 928 HG3 LYS 30 1HG LYS 30 -19.572 1.847 -6.909 929 HD2 LYS 30 2HD LYS 30 -21.638 2.889 -7.616 930 HD3 LYS 30 1HD LYS 30 -21.390 1.435 -8.587 931 HE2 LYS 30 2HE LYS 30 -22.897 1.030 -6.041 932 HE3 LYS 30 1HE LYS 30 -23.725 1.983 -7.282 933 HZ1 LYS 30 3HZ LYS 30 -23.571 -0.732 -7.189 934 HZ2 LYS 30 1HZ LYS 30 -22.419 -0.321 -8.363 935 HZ3 LYS 30 2HZ LYS 30 -24.028 0.195 -8.537 936 H LYS 31 H LYS 31 -21.351 -1.791 -4.642 937 HA LYS 31 HA LYS 31 -22.117 0.188 -2.825 938 HB2 LYS 31 2HB LYS 31 -23.497 -1.549 -1.786 939 HB3 LYS 31 1HB LYS 31 -23.580 -1.674 -3.545 940 HG2 LYS 31 2HG LYS 31 -21.811 -3.413 -3.472 941 HG3 LYS 31 1HG LYS 31 -21.835 -3.332 -1.714 942 HD2 LYS 31 2HD LYS 31 -23.200 -5.179 -2.380 943 HD3 LYS 31 1HD LYS 31 -24.271 -3.912 -1.782 944 HE2 LYS 31 2HE LYS 31 -25.049 -3.382 -3.920 945 HE3 LYS 31 1HE LYS 31 -23.615 -4.031 -4.713 946 HZ1 LYS 31 3HZ LYS 31 -25.272 -5.597 -5.109 947 HZ2 LYS 31 1HZ LYS 31 -25.886 -5.504 -3.531 948 HZ3 LYS 31 2HZ LYS 31 -24.391 -6.260 -3.815 949 H GLU 32 H GLU 32 -19.945 -2.616 -2.496 950 HA GLU 32 HA GLU 32 -19.564 -2.320 0.303 951 HB2 GLU 32 2HB GLU 32 -17.780 -3.591 -1.781 952 HB3 GLU 32 1HB GLU 32 -17.563 -3.730 -0.038 953 HG2 GLU 32 2HG GLU 32 -19.807 -4.738 0.157 954 HG3 GLU 32 1HG GLU 32 -19.994 -4.644 -1.587 955 H LEU 33 H LEU 33 -17.393 -1.272 -2.449 956 HA LEU 33 HA LEU 33 -15.546 -0.080 -0.689 957 HB2 LEU 33 2HB LEU 33 -15.026 1.537 -2.660 958 HB3 LEU 33 1HB LEU 33 -14.572 -0.134 -2.751 959 HG LEU 33 HG LEU 33 -17.251 0.119 -3.798 960 HD11 LEU 33 1HD1 LEU 33 -16.793 2.429 -4.389 961 HD12 LEU 33 2HD1 LEU 33 -16.601 1.480 -5.859 962 HD13 LEU 33 3HD1 LEU 33 -15.180 2.018 -4.982 963 HD21 LEU 33 3HD2 LEU 33 -15.966 -0.679 -5.921 964 HD22 LEU 33 1HD2 LEU 33 -15.919 -1.726 -4.507 965 HD23 LEU 33 2HD2 LEU 33 -14.543 -0.699 -4.892 966 H LYS 34 H LYS 34 -18.545 1.171 -2.061 967 HA LYS 34 HA LYS 34 -18.122 3.830 -1.325 968 HB2 LYS 34 2HB LYS 34 -20.099 3.016 -2.619 969 HB3 LYS 34 1HB LYS 34 -20.731 2.300 -1.139 970 HG2 LYS 34 2HG LYS 34 -21.825 4.398 -1.304 971 HG3 LYS 34 1HG LYS 34 -20.547 4.656 -0.118 972 HD2 LYS 34 2HD LYS 34 -19.128 5.705 -1.790 973 HD3 LYS 34 1HD LYS 34 -20.264 5.295 -3.065 974 HE2 LYS 34 2HE LYS 34 -20.234 7.621 -1.373 975 HE3 LYS 34 1HE LYS 34 -21.328 7.260 -2.706 976 HZ1 LYS 34 3HZ LYS 34 -22.287 7.574 -0.360 977 HZ2 LYS 34 1HZ LYS 34 -21.718 6.003 -0.067 978 HZ3 LYS 34 2HZ LYS 34 -22.854 6.277 -1.301 979 H GLU 35 H GLU 35 -19.085 0.989 0.573 980 HA GLU 35 HA GLU 35 -19.540 2.538 2.966 981 HB2 GLU 35 2HB GLU 35 -19.253 -0.425 2.489 982 HB3 GLU 35 1HB GLU 35 -19.646 0.292 4.052 983 HG2 GLU 35 2HG GLU 35 -21.626 1.385 3.022 984 HG3 GLU 35 1HG GLU 35 -21.249 0.589 1.495 985 H LEU 36 H LEU 36 -16.851 0.526 1.743 986 HA LEU 36 HA LEU 36 -15.359 0.574 4.146 987 HB2 LEU 36 2HB LEU 36 -15.100 -0.930 2.053 988 HB3 LEU 36 1HB LEU 36 -14.098 0.372 1.422 989 HG LEU 36 HG LEU 36 -13.625 -1.100 4.053 990 HD11 LEU 36 1HD1 LEU 36 -13.169 -2.105 1.565 991 HD12 LEU 36 2HD1 LEU 36 -12.184 -2.488 2.975 992 HD13 LEU 36 3HD1 LEU 36 -11.656 -1.251 1.843 993 HD21 LEU 36 3HD2 LEU 36 -12.293 1.238 2.723 994 HD22 LEU 36 1HD2 LEU 36 -11.312 0.101 3.637 995 HD23 LEU 36 2HD2 LEU 36 -12.627 0.953 4.426 996 H LEU 37 H LEU 37 -15.078 2.688 1.223 997 HA LEU 37 HA LEU 37 -12.891 4.144 2.306 998 HB2 LEU 37 2HB LEU 37 -14.915 4.886 0.193 999 HB3 LEU 37 1HB LEU 37 -13.623 5.972 0.686 1000 HG LEU 37 HG LEU 37 -13.208 4.450 -1.368 1001 HD11 LEU 37 1HD1 LEU 37 -10.869 4.332 -0.895 1002 HD12 LEU 37 2HD1 LEU 37 -11.153 4.217 0.840 1003 HD13 LEU 37 3HD1 LEU 37 -11.466 5.733 -0.004 1004 HD21 LEU 37 3HD2 LEU 37 -12.640 2.443 0.812 1005 HD22 LEU 37 1HD2 LEU 37 -12.491 2.201 -0.923 1006 HD23 LEU 37 2HD2 LEU 37 -14.077 2.405 -0.195 1007 H GLN 38 H GLN 38 -16.400 4.702 2.407 1008 HA GLN 38 HA GLN 38 -16.250 7.190 3.740 1009 HB2 GLN 38 2HB GLN 38 -18.448 5.120 3.672 1010 HB3 GLN 38 1HB GLN 38 -18.625 6.732 4.364 1011 HG2 GLN 38 2HG GLN 38 -18.065 7.747 2.201 1012 HG3 GLN 38 1HG GLN 38 -17.827 6.150 1.492 1013 HE21 GLN 38 1HE2 GLN 38 -19.786 7.946 0.440 1014 HE22 GLN 38 2HE2 GLN 38 -21.325 7.304 0.755 1015 H THR 39 H THR 39 -16.449 3.864 4.988 1016 HA THR 39 HA THR 39 -16.747 4.692 7.708 1017 HB THR 39 HB THR 39 -16.324 2.349 8.262 1018 HG1 THR 39 1HG THR 39 -16.064 1.634 5.608 1019 HG21 THR 39 3HG2 THR 39 -17.990 1.454 6.298 1020 HG22 THR 39 1HG2 THR 39 -18.252 3.194 6.175 1021 HG23 THR 39 2HG2 THR 39 -18.534 2.366 7.705 1022 H GLU 40 H GLU 40 -13.945 3.800 5.726 1023 HA GLU 40 HA GLU 40 -12.182 4.123 8.031 1024 HB2 GLU 40 2HB GLU 40 -11.695 3.233 5.198 1025 HB3 GLU 40 1HB GLU 40 -10.422 3.466 6.381 1026 HG2 GLU 40 2HG GLU 40 -12.787 1.634 6.803 1027 HG3 GLU 40 1HG GLU 40 -11.208 1.095 6.238 1028 H LEU 41 H LEU 41 -12.333 5.487 4.720 1029 HA LEU 41 HA LEU 41 -10.700 7.750 5.668 1030 HB2 LEU 41 2HB LEU 41 -11.440 7.009 2.832 1031 HB3 LEU 41 1HB LEU 41 -10.285 8.236 3.327 1032 HG LEU 41 HG LEU 41 -10.030 5.244 3.762 1033 HD11 LEU 41 1HD1 LEU 41 -9.594 6.434 1.464 1034 HD12 LEU 41 2HD1 LEU 41 -8.405 5.284 2.076 1035 HD13 LEU 41 3HD1 LEU 41 -8.130 7.019 2.250 1036 HD21 LEU 41 3HD2 LEU 41 -8.912 6.119 5.642 1037 HD22 LEU 41 1HD2 LEU 41 -8.423 7.586 4.787 1038 HD23 LEU 41 2HD2 LEU 41 -7.624 6.055 4.445 1039 H SER 42 H SER 42 -11.330 9.849 5.526 1040 HA SER 42 HA SER 42 -14.202 10.261 4.892 1041 HB2 SER 42 2HB SER 42 -13.382 10.629 7.285 1042 HB3 SER 42 1HB SER 42 -12.525 12.034 6.659 1043 HG SER 42 HG SER 42 -14.832 12.330 5.654 1044 H GLY 43 H GLY 43 -11.222 12.208 5.083 1045 HA2 GLY 43 2HA GLY 43 -12.059 14.260 3.404 1046 HA3 GLY 43 1HA GLY 43 -10.386 13.862 3.746 1047 H PHE 44 H PHE 44 -10.349 11.246 2.463 1048 HA PHE 44 HA PHE 44 -9.721 12.088 -0.145 1049 HB2 PHE 44 2HB PHE 44 -10.187 9.338 0.994 1050 HB3 PHE 44 1HB PHE 44 -9.630 9.618 -0.657 1051 HD1 PHE 44 1HD PHE 44 -7.442 10.637 -1.101 1052 HD2 PHE 44 2HD PHE 44 -8.740 9.817 2.910 1053 HE1 PHE 44 1HE PHE 44 -5.121 10.950 -0.285 1054 HE2 PHE 44 2HE PHE 44 -6.422 10.125 3.725 1055 HZ PHE 44 HZ PHE 44 -4.611 10.692 2.129 1056 H LEU 45 H LEU 45 -12.537 10.103 0.883 1057 HA LEU 45 HA LEU 45 -13.706 10.275 -1.741 1058 HB2 LEU 45 2HB LEU 45 -14.406 8.961 0.807 1059 HB3 LEU 45 1HB LEU 45 -15.797 9.514 -0.122 1060 HG LEU 45 HG LEU 45 -15.021 7.159 -0.670 1061 HD11 LEU 45 1HD1 LEU 45 -16.196 7.663 -2.524 1062 HD12 LEU 45 2HD1 LEU 45 -14.715 8.238 -3.285 1063 HD13 LEU 45 3HD1 LEU 45 -15.751 9.369 -2.405 1064 HD21 LEU 45 3HD2 LEU 45 -12.850 8.201 -2.406 1065 HD22 LEU 45 1HD2 LEU 45 -12.922 6.725 -1.448 1066 HD23 LEU 45 2HD2 LEU 45 -12.489 8.248 -0.677 1067 H ASP 46 H ASP 46 -14.128 11.999 1.265 1068 HA ASP 46 HA ASP 46 -16.439 13.402 0.580 1069 HB2 ASP 46 2HB ASP 46 -15.430 13.339 2.862 1070 HB3 ASP 46 1HB ASP 46 -14.164 14.428 2.294 1071 H ALA 47 H ALA 47 -13.113 13.873 -0.344 1072 HA ALA 47 HA ALA 47 -13.128 16.531 -1.123 1073 HB1 ALA 47 1HB ALA 47 -11.654 14.143 -2.220 1074 HB2 ALA 47 2HB ALA 47 -11.057 15.381 -1.116 1075 HB3 ALA 47 3HB ALA 47 -11.368 15.782 -2.805 1076 H GLN 48 H GLN 48 -14.490 13.729 -2.846 1077 HA GLN 48 HA GLN 48 -15.068 15.494 -5.143 1078 HB2 GLN 48 2HB GLN 48 -15.721 12.556 -4.863 1079 HB3 GLN 48 1HB GLN 48 -15.673 13.524 -6.337 1080 HG2 GLN 48 2HG GLN 48 -13.311 12.811 -4.579 1081 HG3 GLN 48 1HG GLN 48 -13.640 12.200 -6.200 1082 HE21 GLN 48 1HE2 GLN 48 -11.621 14.291 -4.734 1083 HE22 GLN 48 2HE2 GLN 48 -11.471 15.475 -5.941 1084 H LYS 49 H LYS 49 -16.890 16.613 -5.067 1085 HA LYS 49 HA LYS 49 -18.922 16.238 -3.170 1086 HB2 LYS 49 2HB LYS 49 -18.906 17.810 -5.742 1087 HB3 LYS 49 1HB LYS 49 -20.169 17.922 -4.515 1088 HG2 LYS 49 2HG LYS 49 -18.427 18.537 -2.834 1089 HG3 LYS 49 1HG LYS 49 -17.225 18.538 -4.125 1090 HD2 LYS 49 2HD LYS 49 -18.583 20.257 -5.329 1091 HD3 LYS 49 1HD LYS 49 -19.673 20.316 -3.944 1092 HE2 LYS 49 2HE LYS 49 -18.138 22.104 -3.604 1093 HE3 LYS 49 1HE LYS 49 -17.598 20.818 -2.525 1094 HZ1 LYS 49 3HZ LYS 49 -15.879 20.231 -3.979 1095 HZ2 LYS 49 1HZ LYS 49 -15.840 21.927 -3.934 1096 HZ3 LYS 49 2HZ LYS 49 -16.529 21.129 -5.267 1097 H ASP 50 H ASP 50 -18.774 15.164 -6.546 1098 HA ASP 50 HA ASP 50 -21.525 14.446 -6.664 1099 HB2 ASP 50 2HB ASP 50 -19.195 13.590 -8.375 1100 HB3 ASP 50 1HB ASP 50 -20.885 13.193 -8.703 1101 H VAL 51 H VAL 51 -22.567 12.529 -6.472 1102 HA VAL 51 HA VAL 51 -21.407 10.526 -4.756 1103 HB VAL 51 HB VAL 51 -23.526 9.425 -4.866 1104 HG11 VAL 51 1HG1 VAL 51 -24.496 12.227 -5.218 1105 HG12 VAL 51 2HG1 VAL 51 -23.305 11.930 -3.951 1106 HG13 VAL 51 3HG1 VAL 51 -24.841 11.065 -3.937 1107 HG21 VAL 51 3HG2 VAL 51 -23.867 9.350 -7.269 1108 HG22 VAL 51 1HG2 VAL 51 -24.039 11.103 -7.346 1109 HG23 VAL 51 2HG2 VAL 51 -25.267 10.132 -6.539 1110 H ASP 52 H ASP 52 -21.859 11.104 -8.109 1111 HA ASP 52 HA ASP 52 -21.469 8.538 -9.207 1112 HB2 ASP 52 2HB ASP 52 -20.823 11.294 -10.285 1113 HB3 ASP 52 1HB ASP 52 -20.720 9.814 -11.238 1114 H ALA 53 H ALA 53 -19.409 10.838 -7.726 1115 HA ALA 53 HA ALA 53 -16.921 10.344 -8.790 1116 HB1 ALA 53 1HB ALA 53 -16.015 11.099 -6.715 1117 HB2 ALA 53 2HB ALA 53 -17.499 10.692 -5.852 1118 HB3 ALA 53 3HB ALA 53 -17.492 12.017 -7.020 1119 H VAL 54 H VAL 54 -18.747 8.360 -6.454 1120 HA VAL 54 HA VAL 54 -16.639 6.632 -5.728 1121 HB VAL 54 HB VAL 54 -18.949 6.675 -4.692 1122 HG11 VAL 54 1HG1 VAL 54 -19.710 4.880 -7.000 1123 HG12 VAL 54 2HG1 VAL 54 -20.045 6.610 -7.029 1124 HG13 VAL 54 3HG1 VAL 54 -20.763 5.594 -5.780 1125 HG21 VAL 54 3HG2 VAL 54 -17.667 4.121 -5.665 1126 HG22 VAL 54 1HG2 VAL 54 -19.076 4.097 -4.605 1127 HG23 VAL 54 2HG2 VAL 54 -17.578 4.850 -4.059 1128 H ASP 55 H ASP 55 -18.971 6.518 -8.400 1129 HA ASP 55 HA ASP 55 -18.059 4.097 -9.534 1130 HB2 ASP 55 2HB ASP 55 -19.444 6.486 -10.744 1131 HB3 ASP 55 1HB ASP 55 -19.156 4.981 -11.617 1132 H LYS 56 H LYS 56 -17.189 7.493 -10.041 1133 HA LYS 56 HA LYS 56 -15.423 7.104 -12.196 1134 HB2 LYS 56 2HB LYS 56 -15.367 9.177 -9.990 1135 HB3 LYS 56 1HB LYS 56 -14.400 9.254 -11.463 1136 HG2 LYS 56 2HG LYS 56 -16.506 9.166 -12.803 1137 HG3 LYS 56 1HG LYS 56 -17.427 9.226 -11.299 1138 HD2 LYS 56 2HD LYS 56 -16.291 11.381 -10.741 1139 HD3 LYS 56 1HD LYS 56 -15.504 11.337 -12.318 1140 HE2 LYS 56 2HE LYS 56 -18.508 11.279 -11.917 1141 HE3 LYS 56 1HE LYS 56 -17.586 12.735 -12.291 1142 HZ1 LYS 56 3HZ LYS 56 -18.649 11.216 -14.159 1143 HZ2 LYS 56 1HZ LYS 56 -17.162 10.415 -14.006 1144 HZ3 LYS 56 2HZ LYS 56 -17.199 12.068 -14.401 1145 H VAL 57 H VAL 57 -14.950 6.907 -8.697 1146 HA VAL 57 HA VAL 57 -12.136 6.568 -8.780 1147 HB VAL 57 HB VAL 57 -14.193 5.687 -6.740 1148 HG11 VAL 57 1HG1 VAL 57 -12.016 5.709 -5.281 1149 HG12 VAL 57 2HG1 VAL 57 -11.195 5.479 -6.824 1150 HG13 VAL 57 3HG1 VAL 57 -12.375 4.293 -6.268 1151 HG21 VAL 57 3HG2 VAL 57 -12.170 7.917 -6.511 1152 HG22 VAL 57 1HG2 VAL 57 -13.643 7.672 -5.571 1153 HG23 VAL 57 2HG2 VAL 57 -13.744 8.190 -7.256 1154 H MET 58 H MET 58 -14.848 4.270 -8.713 1155 HA MET 58 HA MET 58 -13.154 1.983 -8.727 1156 HB2 MET 58 2HB MET 58 -15.032 0.721 -8.521 1157 HB3 MET 58 1HB MET 58 -15.651 2.266 -7.967 1158 HG2 MET 58 2HG MET 58 -17.300 1.869 -9.483 1159 HG3 MET 58 1HG MET 58 -16.133 2.450 -10.660 1160 HE1 MET 58 3HE MET 58 -18.274 -0.985 -9.796 1161 HE2 MET 58 1HE MET 58 -17.302 -0.211 -8.537 1162 HE3 MET 58 2HE MET 58 -16.800 -1.758 -9.217 1163 H LYS 59 H LYS 59 -14.597 3.802 -11.424 1164 HA LYS 59 HA LYS 59 -14.396 1.805 -13.379 1165 HB2 LYS 59 2HB LYS 59 -14.056 4.767 -13.708 1166 HB3 LYS 59 1HB LYS 59 -14.225 3.607 -15.026 1167 HG2 LYS 59 2HG LYS 59 -16.343 2.940 -13.319 1168 HG3 LYS 59 1HG LYS 59 -16.277 4.698 -13.224 1169 HD2 LYS 59 2HD LYS 59 -16.295 3.120 -15.773 1170 HD3 LYS 59 1HD LYS 59 -17.731 3.874 -15.070 1171 HE2 LYS 59 2HE LYS 59 -15.282 5.227 -16.218 1172 HE3 LYS 59 1HE LYS 59 -16.970 5.468 -16.660 1173 HZ1 LYS 59 3HZ LYS 59 -17.010 6.083 -14.061 1174 HZ2 LYS 59 1HZ LYS 59 -16.800 7.222 -15.300 1175 HZ3 LYS 59 2HZ LYS 59 -15.448 6.605 -14.477 1176 H GLU 60 H GLU 60 -11.849 4.076 -12.278 1177 HA GLU 60 HA GLU 60 -9.996 3.177 -14.272 1178 HB2 GLU 60 2HB GLU 60 -8.375 4.518 -13.179 1179 HB3 GLU 60 1HB GLU 60 -9.897 5.386 -12.991 1180 HG2 GLU 60 2HG GLU 60 -10.153 4.334 -10.735 1181 HG3 GLU 60 1HG GLU 60 -8.551 3.627 -10.920 1182 H LEU 61 H LEU 61 -10.782 2.244 -10.998 1183 HA LEU 61 HA LEU 61 -8.572 0.519 -10.562 1184 HB2 LEU 61 2HB LEU 61 -11.320 0.455 -9.316 1185 HB3 LEU 61 1HB LEU 61 -9.913 -0.413 -8.722 1186 HG LEU 61 HG LEU 61 -10.163 2.597 -8.927 1187 HD11 LEU 61 1HD1 LEU 61 -11.350 0.990 -7.069 1188 HD12 LEU 61 2HD1 LEU 61 -10.786 2.618 -6.725 1189 HD13 LEU 61 3HD1 LEU 61 -9.775 1.234 -6.316 1190 HD21 LEU 61 3HD2 LEU 61 -8.051 2.292 -7.379 1191 HD22 LEU 61 1HD2 LEU 61 -7.858 2.258 -9.118 1192 HD23 LEU 61 2HD2 LEU 61 -7.907 0.749 -8.194 1193 H ASP 62 H ASP 62 -11.741 -0.008 -12.019 1194 HA ASP 62 HA ASP 62 -11.460 -2.843 -11.921 1195 HB2 ASP 62 2HB ASP 62 -13.640 -1.651 -12.190 1196 HB3 ASP 62 1HB ASP 62 -13.163 -1.259 -13.844 1197 H GLU 63 H GLU 63 -9.366 -3.191 -12.683 1198 HA GLU 63 HA GLU 63 -8.401 -2.535 -15.267 1199 HB2 GLU 63 2HB GLU 63 -6.928 -3.299 -13.498 1200 HB3 GLU 63 1HB GLU 63 -7.834 -4.810 -13.354 1201 HG2 GLU 63 2HG GLU 63 -7.230 -5.421 -15.631 1202 HG3 GLU 63 1HG GLU 63 -6.291 -3.918 -15.810 1203 H ASN 64 H ASN 64 -9.906 -5.317 -13.890 1204 HA ASN 64 HA ASN 64 -9.977 -7.055 -16.051 1205 HB2 ASN 64 2HB ASN 64 -11.779 -6.598 -13.732 1206 HB3 ASN 64 1HB ASN 64 -11.798 -8.080 -14.684 1207 HD21 ASN 64 1HD2 ASN 64 -9.103 -8.668 -14.943 1208 HD22 ASN 64 2HD2 ASN 64 -8.375 -8.819 -13.418 1209 H GLY 65 H GLY 65 -12.162 -4.476 -15.051 1210 HA2 GLY 65 2HA GLY 65 -13.741 -3.321 -16.328 1211 HA3 GLY 65 1HA GLY 65 -13.443 -4.442 -17.662 1212 H ASP 66 H ASP 66 -13.846 -5.868 -14.607 1213 HA ASP 66 HA ASP 66 -16.306 -7.143 -15.454 1214 HB2 ASP 66 2HB ASP 66 -15.936 -8.578 -13.490 1215 HB3 ASP 66 1HB ASP 66 -14.491 -8.471 -14.491 1216 H GLY 67 H GLY 67 -15.768 -4.287 -13.946 1217 HA2 GLY 67 2HA GLY 67 -17.341 -2.859 -12.996 1218 HA3 GLY 67 1HA GLY 67 -18.460 -4.213 -12.889 1219 H GLU 68 H GLU 68 -15.587 -5.239 -11.632 1220 HA GLU 68 HA GLU 68 -16.352 -4.479 -8.872 1221 HB2 GLU 68 2HB GLU 68 -15.172 -7.061 -9.860 1222 HB3 GLU 68 1HB GLU 68 -15.306 -6.629 -8.165 1223 HG2 GLU 68 2HG GLU 68 -17.195 -7.928 -8.504 1224 HG3 GLU 68 1HG GLU 68 -17.828 -6.292 -8.713 1225 H VAL 69 H VAL 69 -14.703 -4.369 -7.326 1226 HA VAL 69 HA VAL 69 -12.069 -3.654 -8.439 1227 HB VAL 69 HB VAL 69 -13.281 -2.883 -5.780 1228 HG11 VAL 69 1HG1 VAL 69 -11.409 -1.270 -5.705 1229 HG12 VAL 69 2HG1 VAL 69 -10.781 -1.964 -7.198 1230 HG13 VAL 69 3HG1 VAL 69 -10.844 -2.940 -5.727 1231 HG21 VAL 69 3HG2 VAL 69 -14.530 -1.765 -7.443 1232 HG22 VAL 69 1HG2 VAL 69 -13.083 -1.406 -8.387 1233 HG23 VAL 69 2HG2 VAL 69 -13.354 -0.599 -6.842 1234 H ASP 70 H ASP 70 -10.372 -4.928 -7.870 1235 HA ASP 70 HA ASP 70 -10.937 -7.163 -6.045 1236 HB2 ASP 70 2HB ASP 70 -10.163 -7.624 -8.386 1237 HB3 ASP 70 1HB ASP 70 -8.620 -6.892 -7.959 1238 H PHE 71 H PHE 71 -9.236 -7.922 -4.642 1239 HA PHE 71 HA PHE 71 -8.408 -6.094 -2.750 1240 HB2 PHE 71 2HB PHE 71 -8.455 -8.673 -2.742 1241 HB3 PHE 71 1HB PHE 71 -6.874 -8.590 -3.493 1242 HD1 PHE 71 1HD PHE 71 -6.536 -5.826 -1.524 1243 HD2 PHE 71 2HD PHE 71 -7.157 -10.047 -1.073 1244 HE1 PHE 71 1HE PHE 71 -5.488 -5.738 0.713 1245 HE2 PHE 71 2HE PHE 71 -6.119 -9.946 1.158 1246 HZ PHE 71 HZ PHE 71 -5.290 -7.799 2.053 1247 H GLN 72 H GLN 72 -6.552 -7.358 -5.551 1248 HA GLN 72 HA GLN 72 -4.160 -5.935 -4.975 1249 HB2 GLN 72 2HB GLN 72 -5.294 -6.908 -7.615 1250 HB3 GLN 72 1HB GLN 72 -3.653 -6.297 -7.394 1251 HG2 GLN 72 2HG GLN 72 -3.204 -8.055 -5.746 1252 HG3 GLN 72 1HG GLN 72 -4.841 -8.660 -5.905 1253 HE21 GLN 72 1HE2 GLN 72 -2.667 -10.358 -6.423 1254 HE22 GLN 72 2HE2 GLN 72 -2.610 -10.694 -8.082 1255 H GLU 73 H GLU 73 -7.053 -5.066 -6.881 1256 HA GLU 73 HA GLU 73 -6.063 -2.628 -7.922 1257 HB2 GLU 73 2HB GLU 73 -8.895 -3.464 -7.264 1258 HB3 GLU 73 1HB GLU 73 -8.461 -2.072 -8.248 1259 HG2 GLU 73 2HG GLU 73 -7.313 -3.614 -9.850 1260 HG3 GLU 73 1HG GLU 73 -7.868 -4.980 -8.887 1261 H TYR 74 H TYR 74 -7.853 -3.478 -5.026 1262 HA TYR 74 HA TYR 74 -8.265 -0.908 -3.922 1263 HB2 TYR 74 2HB TYR 74 -9.430 -3.006 -3.249 1264 HB3 TYR 74 1HB TYR 74 -7.930 -3.574 -2.522 1265 HD1 TYR 74 1HD TYR 74 -10.681 -1.150 -2.294 1266 HD2 TYR 74 2HD TYR 74 -7.065 -2.581 -0.472 1267 HE1 TYR 74 1HE TYR 74 -11.238 0.080 -0.219 1268 HE2 TYR 74 2HE TYR 74 -7.621 -1.338 1.602 1269 HH TYR 74 HH TYR 74 -10.635 0.561 1.833 1270 H VAL 75 H VAL 75 -5.773 -3.306 -3.609 1271 HA VAL 75 HA VAL 75 -4.254 -2.113 -1.573 1272 HB VAL 75 HB VAL 75 -4.060 -4.491 -3.125 1273 HG11 VAL 75 1HG1 VAL 75 -1.571 -2.831 -3.438 1274 HG12 VAL 75 2HG1 VAL 75 -2.526 -3.570 -4.705 1275 HG13 VAL 75 3HG1 VAL 75 -1.607 -4.574 -3.592 1276 HG21 VAL 75 3HG2 VAL 75 -3.733 -4.564 -0.785 1277 HG22 VAL 75 1HG2 VAL 75 -2.423 -3.378 -0.850 1278 HG23 VAL 75 2HG2 VAL 75 -2.178 -5.000 -1.496 1279 H VAL 76 H VAL 76 -3.934 -1.862 -5.139 1280 HA VAL 76 HA VAL 76 -1.767 -0.009 -4.864 1281 HB VAL 76 HB VAL 76 -2.022 0.491 -7.212 1282 HG11 VAL 76 1HG1 VAL 76 -2.683 -2.440 -6.953 1283 HG12 VAL 76 2HG1 VAL 76 -1.160 -1.797 -6.336 1284 HG13 VAL 76 3HG1 VAL 76 -1.547 -1.659 -8.051 1285 HG21 VAL 76 3HG2 VAL 76 -4.566 0.583 -7.133 1286 HG22 VAL 76 1HG2 VAL 76 -4.534 -1.174 -7.191 1287 HG23 VAL 76 2HG2 VAL 76 -3.885 -0.246 -8.532 1288 H LEU 77 H LEU 77 -5.317 0.339 -4.944 1289 HA LEU 77 HA LEU 77 -5.386 3.130 -5.300 1290 HB2 LEU 77 2HB LEU 77 -7.426 1.778 -5.279 1291 HB3 LEU 77 1HB LEU 77 -7.173 1.379 -3.593 1292 HG LEU 77 HG LEU 77 -7.331 3.897 -3.107 1293 HD11 LEU 77 1HD1 LEU 77 -8.229 5.385 -4.664 1294 HD12 LEU 77 2HD1 LEU 77 -8.841 4.106 -5.690 1295 HD13 LEU 77 3HD1 LEU 77 -7.123 4.462 -5.669 1296 HD21 LEU 77 3HD2 LEU 77 -9.150 2.600 -2.424 1297 HD22 LEU 77 1HD2 LEU 77 -9.590 2.174 -4.079 1298 HD23 LEU 77 2HD2 LEU 77 -9.902 3.802 -3.475 1299 H VAL 78 H VAL 78 -5.206 1.312 -2.191 1300 HA VAL 78 HA VAL 78 -5.012 3.747 -0.704 1301 HB VAL 78 HB VAL 78 -4.364 2.414 1.237 1302 HG11 VAL 78 1HG1 VAL 78 -6.645 2.454 1.104 1303 HG12 VAL 78 2HG1 VAL 78 -6.381 0.714 0.989 1304 HG13 VAL 78 3HG1 VAL 78 -6.688 1.658 -0.471 1305 HG21 VAL 78 3HG2 VAL 78 -4.423 -0.013 -0.587 1306 HG22 VAL 78 1HG2 VAL 78 -4.068 0.023 1.136 1307 HG23 VAL 78 2HG2 VAL 78 -2.942 0.748 -0.003 1308 H ALA 79 H ALA 79 -2.583 1.578 -2.090 1309 HA ALA 79 HA ALA 79 -0.398 2.813 -0.695 1310 HB1 ALA 79 1HB ALA 79 0.939 1.384 -1.847 1311 HB2 ALA 79 2HB ALA 79 0.089 1.632 -3.377 1312 HB3 ALA 79 3HB ALA 79 -0.592 0.581 -2.147 1313 H ALA 80 H ALA 80 -1.670 3.272 -3.984 1314 HA ALA 80 HA ALA 80 0.140 5.302 -4.737 1315 HB1 ALA 80 1HB ALA 80 -1.086 4.195 -6.457 1316 HB2 ALA 80 2HB ALA 80 -1.664 5.864 -6.437 1317 HB3 ALA 80 3HB ALA 80 -2.634 4.586 -5.703 1318 H LEU 81 H LEU 81 -3.035 5.330 -3.129 1319 HA LEU 81 HA LEU 81 -3.213 8.176 -3.083 1320 HB2 LEU 81 2HB LEU 81 -4.658 5.979 -1.683 1321 HB3 LEU 81 1HB LEU 81 -4.730 7.594 -0.980 1322 HG LEU 81 HG LEU 81 -5.460 8.479 -3.226 1323 HD11 LEU 81 1HD1 LEU 81 -6.093 5.663 -4.024 1324 HD12 LEU 81 2HD1 LEU 81 -4.531 6.358 -4.430 1325 HD13 LEU 81 3HD1 LEU 81 -6.006 7.103 -5.024 1326 HD21 LEU 81 3HD2 LEU 81 -7.178 6.355 -1.906 1327 HD22 LEU 81 1HD2 LEU 81 -7.775 7.472 -3.131 1328 HD23 LEU 81 2HD2 LEU 81 -7.187 8.092 -1.591 1329 H THR 82 H THR 82 -1.656 5.786 -0.989 1330 HA THR 82 HA THR 82 -1.155 7.531 1.187 1331 HB THR 82 HB THR 82 0.574 5.244 0.217 1332 HG1 THR 82 1HG THR 82 -0.811 3.940 1.172 1333 HG21 THR 82 3HG2 THR 82 0.660 5.214 2.926 1334 HG22 THR 82 1HG2 THR 82 0.495 6.945 2.645 1335 HG23 THR 82 2HG2 THR 82 1.843 6.060 1.929 1336 H VAL 83 H VAL 83 0.919 6.674 -1.615 1337 HA VAL 83 HA VAL 83 2.976 8.511 -0.860 1338 HB VAL 83 HB VAL 83 3.428 6.689 -2.467 1339 HG11 VAL 83 1HG1 VAL 83 2.690 6.759 -4.726 1340 HG12 VAL 83 2HG1 VAL 83 2.034 8.383 -4.547 1341 HG13 VAL 83 3HG1 VAL 83 1.259 7.018 -3.762 1342 HG21 VAL 83 3HG2 VAL 83 3.936 9.264 -3.931 1343 HG22 VAL 83 1HG2 VAL 83 5.029 7.907 -3.646 1344 HG23 VAL 83 2HG2 VAL 83 4.646 9.019 -2.332 1345 H ALA 84 H ALA 84 0.104 8.865 -2.894 1346 HA ALA 84 HA ALA 84 0.704 11.484 -3.816 1347 HB1 ALA 84 1HB ALA 84 -2.045 10.309 -3.398 1348 HB2 ALA 84 2HB ALA 84 -1.019 9.909 -4.776 1349 HB3 ALA 84 3HB ALA 84 -1.570 11.568 -4.538 1350 H CYS 85 H CHC 85 -0.669 10.172 -0.904 1351 HA CYS 85 HA CHC 85 -1.835 12.562 0.092 1352 HB2 CYS 85 2HB CHC 85 -2.342 10.229 0.905 1353 HB3 CYS 85 1HB CHC 85 -0.770 10.233 1.703 1354 H ASN 86 H ASN 86 1.242 10.875 0.920 1355 HA ASN 86 HA ASN 86 2.171 12.955 2.588 1356 HB2 ASN 86 2HB ASN 86 3.237 10.662 2.300 1357 HB3 ASN 86 1HB ASN 86 3.968 11.292 0.823 1358 HD21 ASN 86 1HD2 ASN 86 5.677 10.541 2.950 1359 HD22 ASN 86 2HD2 ASN 86 6.355 11.936 3.637 1360 H ASN 87 H ASN 87 2.368 12.460 -0.920 1361 HA ASN 87 HA ASN 87 3.986 14.709 -1.557 1362 HB2 ASN 87 2HB ASN 87 1.723 13.442 -3.126 1363 HB3 ASN 87 1HB ASN 87 2.914 14.564 -3.779 1364 HD21 ASN 87 1HD2 ASN 87 5.262 13.562 -2.492 1365 HD22 ASN 87 2HD2 ASN 87 5.568 11.999 -3.078 1366 H PHE 88 H PHE 88 0.476 14.397 -1.015 1367 HA PHE 88 HA PHE 88 -0.008 17.089 -1.758 1368 HB2 PHE 88 2HB PHE 88 -1.820 15.387 -1.527 1369 HB3 PHE 88 1HB PHE 88 -1.584 15.394 0.220 1370 HD1 PHE 88 1HD PHE 88 -2.651 17.423 -2.690 1371 HD2 PHE 88 2HD PHE 88 -2.369 17.212 1.590 1372 HE1 PHE 88 1HE PHE 88 -4.132 19.404 -2.495 1373 HE2 PHE 88 2HE PHE 88 -3.848 19.193 1.786 1374 HZ PHE 88 HZ PHE 88 -4.730 20.288 -0.257 1375 H PHE 89 H PHE 89 0.850 15.574 1.356 1376 HA PHE 89 HA PHE 89 0.480 17.888 2.929 1377 HB2 PHE 89 2HB PHE 89 0.736 15.601 3.843 1378 HB3 PHE 89 1HB PHE 89 2.440 15.634 3.390 1379 HD1 PHE 89 1HD PHE 89 -0.136 17.169 5.568 1380 HD2 PHE 89 2HD PHE 89 4.051 16.914 4.642 1381 HE1 PHE 89 1HE PHE 89 0.403 18.363 7.675 1382 HE2 PHE 89 2HE PHE 89 4.590 18.108 6.747 1383 HZ PHE 89 HZ PHE 89 2.767 18.832 8.264 1384 H TRP 90 H TRP 90 3.646 16.537 1.786 1385 HA TRP 90 HA TRP 90 5.029 18.954 2.495 1386 HB2 TRP 90 2HB TRP 90 6.228 16.809 2.314 1387 HB3 TRP 90 1HB TRP 90 5.943 16.820 0.567 1388 HD1 TRP 90 HD TRP 90 6.885 18.979 -0.774 1389 HE1 TRP 90 1HE TRP 90 8.996 20.377 -0.398 1390 HE3 TRP 90 3HE TRP 90 7.922 17.664 4.038 1391 HZ2 TRP 90 2HZ TRP 90 10.908 20.868 1.687 1392 HZ3 TRP 90 3HZ TRP 90 9.897 18.610 5.200 1393 HH2 TRP 90 HH TRP 90 11.390 20.210 4.031 1394 H GLU 91 H GLU 91 3.838 17.631 -0.500 1395 HA GLU 91 HA GLU 91 4.520 20.067 -1.973 1396 HB2 GLU 91 2HB GLU 91 3.730 17.282 -2.772 1397 HB3 GLU 91 1HB GLU 91 3.654 18.565 -3.917 1398 HG2 GLU 91 2HG GLU 91 6.087 19.025 -3.416 1399 HG3 GLU 91 1HG GLU 91 6.063 17.623 -2.347 1400 H ASN 92 H ASN 92 2.993 21.319 -3.022 1401 HA ASN 92 HA ASN 92 0.968 22.362 -3.322 1402 HB2 ASN 92 2HB ASN 92 0.623 20.074 -4.467 1403 HB3 ASN 92 1HB ASN 92 -0.328 19.659 -3.042 1404 HD21 ASN 92 1HD2 ASN 92 -2.218 19.586 -4.601 1405 HD22 ASN 92 2HD2 ASN 92 -2.977 21.044 -5.024 1406 H SER 93 H SER 93 1.898 22.445 -0.726 1407 HA SER 93 HA SER 93 0.473 21.544 1.388 1408 HB2 SER 93 2HB SER 93 0.803 23.839 2.422 1409 HB3 SER 93 1HB SER 93 2.260 23.093 1.771 1410 HG SER 93 HG SER 93 2.066 24.374 -0.047 1411 H1 HCS 201 1HT CHC 85 1.290 -12.327 10.311 1412 H2 HCS 201 2HT CHC 85 1.469 -11.573 8.799 1413 H HCS 201 3HT CHC 85 2.771 -12.419 9.489 1414 HCA HCS 201 HH CHC 85 0.351 -13.969 9.135 1415 HB2 HCS 201 1HZ CHC 85 0.877 -14.294 6.693 1416 HB3 HCS 201 2HZ CHC 85 1.976 -12.919 6.800 1417 HG2 HCS 201 1HE CHC 85 0.101 -11.488 7.542 1418 HG3 HCS 201 2HE CHC 85 -0.994 -12.865 7.425 1419 H1 HCS 201 1HT CHC 85 -3.448 13.510 8.096 1420 H2 HCS 201 2HT CHC 85 -3.286 12.569 6.690 1421 H HCS 201 3HT CHC 85 -4.699 13.476 6.951 1422 HCA HCS 201 HH CHC 85 -2.239 15.004 6.969 1423 HB2 HCS 201 1HZ CHC 85 -2.184 15.011 4.452 1424 HB3 HCS 201 2HZ CHC 85 -3.299 13.643 4.475 1425 HG2 HCS 201 1HE CHC 85 -1.667 12.346 5.804 1426 HG3 HCS 201 2HE CHC 85 -0.553 13.713 5.769 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -13.091 1.228 12.336 2 HA2 GLY 1 2HA GLY 1 -13.545 3.507 11.592 3 HA3 GLY 1 1HA GLY 1 -12.491 3.605 12.999 4 H SER 2 H SER 2 -10.839 4.938 12.736 5 HA SER 2 HA SER 2 -9.987 5.780 10.096 6 HB2 SER 2 2HB SER 2 -9.072 6.560 12.870 7 HB3 SER 2 1HB SER 2 -8.447 7.271 11.385 8 HG SER 2 HG SER 2 -10.200 8.416 11.242 9 H GLU 3 H GLU 3 -9.404 3.028 11.551 10 HA GLU 3 HA GLU 3 -6.657 2.786 11.952 11 HB2 GLU 3 2HB GLU 3 -8.675 0.760 10.990 12 HB3 GLU 3 1HB GLU 3 -7.036 0.353 11.484 13 HG2 GLU 3 2HG GLU 3 -7.468 1.372 13.696 14 HG3 GLU 3 1HG GLU 3 -9.126 1.709 13.204 15 H LEU 4 H LEU 4 -8.469 2.483 8.874 16 HA LEU 4 HA LEU 4 -6.278 1.452 7.380 17 HB2 LEU 4 2HB LEU 4 -8.781 1.694 6.719 18 HB3 LEU 4 1HB LEU 4 -8.334 3.334 6.260 19 HG LEU 4 HG LEU 4 -6.919 0.854 5.252 20 HD11 LEU 4 1HD1 LEU 4 -9.423 1.224 4.570 21 HD12 LEU 4 2HD1 LEU 4 -8.226 0.803 3.347 22 HD13 LEU 4 3HD1 LEU 4 -8.753 2.474 3.520 23 HD21 LEU 4 3HD2 LEU 4 -5.397 2.451 4.779 24 HD22 LEU 4 1HD2 LEU 4 -6.566 3.768 4.777 25 HD23 LEU 4 2HD2 LEU 4 -6.425 2.709 3.377 26 H GLU 5 H GLU 5 -7.455 4.705 8.089 27 HA GLU 5 HA GLU 5 -5.592 6.160 6.534 28 HB2 GLU 5 2HB GLU 5 -7.804 6.885 7.801 29 HB3 GLU 5 1HB GLU 5 -6.684 7.236 9.115 30 HG2 GLU 5 2HG GLU 5 -6.337 8.298 6.296 31 HG3 GLU 5 1HG GLU 5 -7.154 9.186 7.578 32 H THR 6 H THR 6 -5.615 4.984 9.860 33 HA THR 6 HA THR 6 -3.223 6.191 10.729 34 HB THR 6 HB THR 6 -4.349 3.510 11.578 35 HG1 THR 6 1HG THR 6 -5.208 6.078 11.911 36 HG21 THR 6 3HG2 THR 6 -3.238 4.253 13.762 37 HG22 THR 6 1HG2 THR 6 -2.407 5.475 12.799 38 HG23 THR 6 2HG2 THR 6 -2.154 3.762 12.461 39 H ALA 7 H ALA 7 -3.926 3.182 9.031 40 HA ALA 7 HA ALA 7 -1.311 2.112 9.081 41 HB1 ALA 7 1HB ALA 7 -2.079 0.626 7.358 42 HB2 ALA 7 2HB ALA 7 -3.369 1.736 6.898 43 HB3 ALA 7 3HB ALA 7 -3.439 0.897 8.447 44 H MET 8 H MET 8 -3.017 4.210 6.755 45 HA MET 8 HA MET 8 -0.953 4.358 4.814 46 HB2 MET 8 2HB MET 8 -3.044 6.391 5.667 47 HB3 MET 8 1HB MET 8 -2.038 6.554 4.228 48 HG2 MET 8 2HG MET 8 -2.934 4.423 3.359 49 HG3 MET 8 1HG MET 8 -3.946 4.264 4.778 50 HE1 MET 8 3HE MET 8 -3.120 5.932 1.579 51 HE2 MET 8 1HE MET 8 -3.121 7.480 2.436 52 HE3 MET 8 2HE MET 8 -4.376 7.121 1.253 53 H GLU 9 H GLU 9 -1.608 6.202 7.755 54 HA GLU 9 HA GLU 9 0.539 8.036 7.489 55 HB2 GLU 9 2HB GLU 9 -0.944 7.057 9.939 56 HB3 GLU 9 1HB GLU 9 0.231 8.373 9.950 57 HG2 GLU 9 2HG GLU 9 -1.136 9.583 8.269 58 HG3 GLU 9 1HG GLU 9 -2.327 8.289 8.326 59 H THR 10 H THR 10 0.269 4.772 8.844 60 HA THR 10 HA THR 10 2.773 4.782 10.154 61 HB THR 10 HB THR 10 1.309 2.426 8.952 62 HG1 THR 10 1HG THR 10 0.327 2.290 10.944 63 HG21 THR 10 3HG2 THR 10 2.547 1.165 10.689 64 HG22 THR 10 1HG2 THR 10 3.373 2.650 11.160 65 HG23 THR 10 2HG2 THR 10 3.647 1.962 9.559 66 H LEU 11 H LEU 11 1.764 3.822 6.865 67 HA LEU 11 HA LEU 11 4.311 2.881 6.064 68 HB2 LEU 11 2HB LEU 11 2.261 4.243 4.304 69 HB3 LEU 11 1HB LEU 11 3.526 3.141 3.780 70 HG LEU 11 HG LEU 11 1.110 2.472 5.469 71 HD11 LEU 11 1HD1 LEU 11 2.012 1.629 2.712 72 HD12 LEU 11 2HD1 LEU 11 0.619 2.637 3.109 73 HD13 LEU 11 3HD1 LEU 11 0.634 0.933 3.566 74 HD21 LEU 11 3HD2 LEU 11 2.721 1.068 6.413 75 HD22 LEU 11 1HD2 LEU 11 3.603 0.893 4.885 76 HD23 LEU 11 2HD2 LEU 11 2.060 0.074 5.113 77 H ILE 12 H ILE 12 2.758 6.062 5.928 78 HA ILE 12 HA ILE 12 4.894 7.374 4.594 79 HB ILE 12 HB ILE 12 2.838 8.486 6.510 80 HG12 ILE 12 2HG1 ILE 12 2.958 8.604 3.488 81 HG13 ILE 12 1HG1 ILE 12 2.040 7.387 4.354 82 HG21 ILE 12 1HG2 ILE 12 4.800 9.839 4.640 83 HG22 ILE 12 2HG2 ILE 12 4.710 10.010 6.394 84 HG23 ILE 12 3HG2 ILE 12 3.422 10.657 5.376 85 HD11 ILE 12 3HD1 ILE 12 1.675 10.385 4.626 86 HD12 ILE 12 1HD1 ILE 12 0.716 9.152 5.445 87 HD13 ILE 12 2HD1 ILE 12 0.627 9.318 3.691 88 H ASN 13 H ASN 13 4.203 6.993 8.057 89 HA ASN 13 HA ASN 13 6.346 8.536 9.001 90 HB2 ASN 13 2HB ASN 13 4.896 6.214 10.265 91 HB3 ASN 13 1HB ASN 13 6.023 7.265 11.120 92 HD21 ASN 13 1HD2 ASN 13 3.271 7.119 11.892 93 HD22 ASN 13 2HD2 ASN 13 2.539 8.609 11.543 94 H VAL 14 H VAL 14 6.228 5.029 8.259 95 HA VAL 14 HA VAL 14 8.890 4.664 9.257 96 HB VAL 14 HB VAL 14 8.813 2.406 8.433 97 HG11 VAL 14 1HG1 VAL 14 7.251 3.370 10.383 98 HG12 VAL 14 2HG1 VAL 14 7.221 1.671 9.917 99 HG13 VAL 14 3HG1 VAL 14 5.984 2.769 9.315 100 HG21 VAL 14 3HG2 VAL 14 6.399 3.331 6.865 101 HG22 VAL 14 1HG2 VAL 14 6.691 1.641 7.225 102 HG23 VAL 14 2HG2 VAL 14 7.852 2.549 6.257 103 H PHE 15 H PHE 15 7.535 5.161 5.985 104 HA PHE 15 HA PHE 15 9.982 4.790 4.603 105 HB2 PHE 15 2HB PHE 15 7.838 4.932 3.422 106 HB3 PHE 15 1HB PHE 15 7.675 6.623 3.908 107 HD1 PHE 15 1HD PHE 15 10.060 4.300 2.187 108 HD2 PHE 15 2HD PHE 15 8.570 8.306 2.576 109 HE1 PHE 15 1HE PHE 15 11.474 5.018 0.288 110 HE2 PHE 15 2HE PHE 15 9.975 9.016 0.666 111 HZ PHE 15 HZ PHE 15 11.431 7.371 -0.482 112 H HIS 16 H HIS 16 8.443 7.640 5.999 113 HA HIS 16 HA HIS 16 10.526 9.453 5.373 114 HB2 HIS 16 2HB HIS 16 8.232 10.176 6.022 115 HB3 HIS 16 1HB HIS 16 8.537 9.583 7.654 116 HD1 HIS 16 1HD HIS 16 10.076 10.974 9.168 117 HD2 HIS 16 2HD HIS 16 9.733 12.527 5.314 118 HE1 HIS 16 1HE HIS 16 11.119 13.282 9.230 119 HE2 HIS 16 2HE HIS 16 10.916 14.242 6.888 120 H ALA 17 H ALA 17 9.965 7.235 8.031 121 HA ALA 17 HA ALA 17 11.873 8.262 9.788 122 HB1 ALA 17 1HB ALA 17 10.281 6.319 10.211 123 HB2 ALA 17 2HB ALA 17 11.927 6.089 10.794 124 HB3 ALA 17 3HB ALA 17 11.408 5.300 9.295 125 H HIS 18 H HIS 18 12.244 5.765 7.234 126 HA HIS 18 HA HIS 18 15.128 5.841 7.679 127 HB2 HIS 18 2HB HIS 18 13.372 4.303 5.816 128 HB3 HIS 18 1HB HIS 18 15.128 4.273 5.649 129 HD1 HIS 18 1HD HIS 18 12.527 3.790 8.408 130 HD2 HIS 18 2HD HIS 18 16.361 2.524 7.391 131 HE1 HIS 18 1HE HIS 18 13.224 2.124 10.184 132 HE2 HIS 18 2HE HIS 18 15.562 1.339 9.575 133 H SER 19 H SER 19 13.124 6.813 4.811 134 HA SER 19 HA SER 19 15.323 7.710 3.327 135 HB2 SER 19 2HB SER 19 13.022 7.497 2.391 136 HB3 SER 19 1HB SER 19 12.558 8.938 3.286 137 HG SER 19 HG SER 19 13.169 9.589 1.227 138 H GLY 20 H GLY 20 13.319 9.299 5.758 139 HA2 GLY 20 2HA GLY 20 14.584 11.857 5.634 140 HA3 GLY 20 1HA GLY 20 13.505 11.303 6.881 141 H LYS 21 H LYS 21 14.954 9.057 7.783 142 HA LYS 21 HA LYS 21 16.739 10.258 9.602 143 HB2 LYS 21 2HB LYS 21 15.748 8.080 10.020 144 HB3 LYS 21 1HB LYS 21 16.661 7.374 8.687 145 HG2 LYS 21 2HG LYS 21 18.756 7.954 9.891 146 HG3 LYS 21 1HG LYS 21 17.789 8.615 11.213 147 HD2 LYS 21 2HD LYS 21 18.371 6.338 11.788 148 HD3 LYS 21 1HD LYS 21 16.655 6.378 11.410 149 HE2 LYS 21 2HE LYS 21 18.472 5.851 9.112 150 HE3 LYS 21 1HE LYS 21 18.372 4.576 10.328 151 HZ1 LYS 21 3HZ LYS 21 16.666 4.698 8.376 152 HZ2 LYS 21 1HZ LYS 21 15.887 5.814 9.390 153 HZ3 LYS 21 2HZ LYS 21 16.170 4.228 9.933 154 H GLU 22 H GLU 22 17.434 8.518 6.564 155 HA GLU 22 HA GLU 22 20.088 9.823 6.593 156 HB2 GLU 22 2HB GLU 22 20.295 7.479 7.400 157 HB3 GLU 22 1HB GLU 22 19.625 6.929 5.865 158 HG2 GLU 22 2HG GLU 22 21.476 8.088 4.673 159 HG3 GLU 22 1HG GLU 22 22.167 8.537 6.232 160 H GLY 23 H GLY 23 20.792 10.556 4.617 161 HA2 GLY 23 2HA GLY 23 20.830 10.897 2.323 162 HA3 GLY 23 1HA GLY 23 19.699 9.558 2.148 163 H ASP 24 H ASP 24 18.721 10.987 0.505 164 HA ASP 24 HA ASP 24 17.433 13.416 1.271 165 HB2 ASP 24 2HB ASP 24 16.944 11.550 -1.050 166 HB3 ASP 24 1HB ASP 24 16.154 13.109 -0.858 167 H LYS 25 H LYS 25 15.363 13.785 1.902 168 HA LYS 25 HA LYS 25 14.121 11.882 3.514 169 HB2 LYS 25 2HB LYS 25 12.885 14.362 2.335 170 HB3 LYS 25 1HB LYS 25 12.298 13.469 3.740 171 HG2 LYS 25 2HG LYS 25 14.548 13.914 4.860 172 HG3 LYS 25 1HG LYS 25 14.938 14.989 3.527 173 HD2 LYS 25 2HD LYS 25 12.499 15.280 5.306 174 HD3 LYS 25 1HD LYS 25 13.998 16.181 5.511 175 HE2 LYS 25 2HE LYS 25 13.521 16.679 2.886 176 HE3 LYS 25 1HE LYS 25 11.865 16.501 3.471 177 HZ1 LYS 25 3HZ LYS 25 13.079 18.783 3.600 178 HZ2 LYS 25 1HZ LYS 25 13.750 18.132 5.014 179 HZ3 LYS 25 2HZ LYS 25 12.063 18.278 4.864 180 H TYR 26 H TYR 26 13.539 12.663 0.149 181 HA TYR 26 HA TYR 26 11.236 10.819 0.146 182 HB2 TYR 26 2HB TYR 26 12.095 12.890 -1.875 183 HB3 TYR 26 1HB TYR 26 10.682 11.846 -2.030 184 HD1 TYR 26 2HD TYR 26 8.823 12.005 -0.363 185 HD2 TYR 26 1HD TYR 26 12.071 14.813 -0.446 186 HE1 TYR 26 2HE TYR 26 7.491 13.585 1.006 187 HE2 TYR 26 1HE TYR 26 10.737 16.395 0.922 188 HH TYR 26 HH TYR 26 8.757 16.124 2.633 189 H LYS 27 H LYS 27 14.300 10.109 -0.086 190 HA LYS 27 HA LYS 27 13.802 8.286 -2.353 191 HB2 LYS 27 2HB LYS 27 15.097 10.391 -3.114 192 HB3 LYS 27 1HB LYS 27 16.431 9.725 -2.185 193 HG2 LYS 27 2HG LYS 27 16.774 9.000 -4.385 194 HG3 LYS 27 1HG LYS 27 16.158 7.617 -3.493 195 HD2 LYS 27 2HD LYS 27 13.982 7.855 -4.493 196 HD3 LYS 27 1HD LYS 27 14.391 9.410 -5.185 197 HE2 LYS 27 2HE LYS 27 16.223 8.197 -6.475 198 HE3 LYS 27 1HE LYS 27 15.479 6.692 -5.935 199 HZ1 LYS 27 3HZ LYS 27 14.613 8.537 -7.954 200 HZ2 LYS 27 1HZ LYS 27 13.380 8.143 -6.857 201 HZ3 LYS 27 2HZ LYS 27 14.181 6.912 -7.712 202 H LEU 28 H LEU 28 14.733 6.243 -2.091 203 HA LEU 28 HA LEU 28 16.082 5.872 0.515 204 HB2 LEU 28 2HB LEU 28 13.658 5.099 -0.008 205 HB3 LEU 28 1HB LEU 28 14.413 3.860 -0.950 206 HG LEU 28 HG LEU 28 15.578 2.970 1.015 207 HD11 LEU 28 1HD1 LEU 28 15.960 4.699 2.562 208 HD12 LEU 28 2HD1 LEU 28 14.580 3.893 3.285 209 HD13 LEU 28 3HD1 LEU 28 14.343 5.375 2.370 210 HD21 LEU 28 3HD2 LEU 28 13.224 2.235 0.425 211 HD22 LEU 28 1HD2 LEU 28 12.618 3.419 1.581 212 HD23 LEU 28 2HD2 LEU 28 13.590 2.072 2.149 213 H SER 29 H SER 29 18.042 4.882 0.541 214 HA SER 29 HA SER 29 19.117 3.868 -2.004 215 HB2 SER 29 2HB SER 29 21.311 4.182 -1.043 216 HB3 SER 29 1HB SER 29 20.369 5.652 -0.810 217 HG SER 29 HG SER 29 20.226 5.244 1.285 218 H LYS 30 H LYS 30 20.647 1.952 -1.853 219 HA LYS 30 HA LYS 30 19.307 -0.334 -1.056 220 HB2 LYS 30 2HB LYS 30 21.322 -0.277 -2.541 221 HB3 LYS 30 1HB LYS 30 22.302 -0.052 -1.098 222 HG2 LYS 30 2HG LYS 30 21.346 -2.183 -0.173 223 HG3 LYS 30 1HG LYS 30 20.497 -2.412 -1.701 224 HD2 LYS 30 2HD LYS 30 22.538 -3.678 -1.830 225 HD3 LYS 30 1HD LYS 30 22.732 -2.260 -2.865 226 HE2 LYS 30 2HE LYS 30 23.548 -1.740 -0.069 227 HE3 LYS 30 1HE LYS 30 24.497 -3.014 -0.852 228 HZ1 LYS 30 3HZ LYS 30 24.894 -0.358 -1.156 229 HZ2 LYS 30 1HZ LYS 30 24.009 -0.747 -2.549 230 HZ3 LYS 30 2HZ LYS 30 25.462 -1.562 -2.212 231 H LYS 31 H LYS 31 21.950 1.304 0.628 232 HA LYS 31 HA LYS 31 22.097 -0.487 2.765 233 HB2 LYS 31 2HB LYS 31 23.353 1.276 3.884 234 HB3 LYS 31 1HB LYS 31 23.804 1.217 2.178 235 HG2 LYS 31 2HG LYS 31 22.118 3.026 1.740 236 HG3 LYS 31 1HG LYS 31 21.884 3.144 3.482 237 HD2 LYS 31 2HD LYS 31 24.268 3.536 3.742 238 HD3 LYS 31 1HD LYS 31 24.450 3.630 1.997 239 HE2 LYS 31 2HE LYS 31 22.481 5.347 3.520 240 HE3 LYS 31 1HE LYS 31 24.149 5.857 3.256 241 HZ1 LYS 31 3HZ LYS 31 22.895 4.879 0.876 242 HZ2 LYS 31 1HZ LYS 31 23.730 6.331 1.140 243 HZ3 LYS 31 2HZ LYS 31 22.081 6.218 1.531 244 H GLU 32 H GLU 32 20.368 2.617 2.449 245 HA GLU 32 HA GLU 32 19.231 2.616 5.027 246 HB2 GLU 32 2HB GLU 32 18.127 3.814 2.469 247 HB3 GLU 32 1HB GLU 32 17.546 4.179 4.095 248 HG2 GLU 32 2HG GLU 32 19.812 4.978 4.707 249 HG3 GLU 32 1HG GLU 32 20.344 4.680 3.065 250 H LEU 33 H LEU 33 17.730 1.427 1.925 251 HA LEU 33 HA LEU 33 15.353 0.655 3.246 252 HB2 LEU 33 2HB LEU 33 14.934 -0.903 1.329 253 HB3 LEU 33 1HB LEU 33 15.157 0.772 0.913 254 HG LEU 33 HG LEU 33 17.735 -0.134 0.707 255 HD11 LEU 33 1HD1 LEU 33 15.951 -2.317 -0.444 256 HD12 LEU 33 2HD1 LEU 33 16.909 -2.502 1.031 257 HD13 LEU 33 3HD1 LEU 33 17.706 -2.242 -0.514 258 HD21 LEU 33 3HD2 LEU 33 16.957 1.228 -1.031 259 HD22 LEU 33 1HD2 LEU 33 15.472 0.302 -1.233 260 HD23 LEU 33 2HD2 LEU 33 16.986 -0.337 -1.852 261 H LYS 34 H LYS 34 18.417 -0.971 2.762 262 HA LYS 34 HA LYS 34 17.602 -3.510 3.602 263 HB2 LYS 34 2HB LYS 34 19.883 -2.977 2.745 264 HB3 LYS 34 1HB LYS 34 20.213 -2.104 4.239 265 HG2 LYS 34 2HG LYS 34 21.158 -4.247 4.581 266 HG3 LYS 34 1HG LYS 34 19.628 -4.301 5.452 267 HD2 LYS 34 2HD LYS 34 18.567 -5.487 3.601 268 HD3 LYS 34 1HD LYS 34 20.022 -5.321 2.626 269 HE2 LYS 34 2HE LYS 34 19.376 -7.329 4.628 270 HE3 LYS 34 1HE LYS 34 20.704 -7.311 3.471 271 HZ1 LYS 34 3HZ LYS 34 22.012 -6.008 4.943 272 HZ2 LYS 34 1HZ LYS 34 21.396 -7.310 5.840 273 HZ3 LYS 34 2HZ LYS 34 20.707 -5.766 6.004 274 H GLU 35 H GLU 35 18.316 -0.520 5.378 275 HA GLU 35 HA GLU 35 18.136 -1.791 7.955 276 HB2 GLU 35 2HB GLU 35 18.086 1.104 7.108 277 HB3 GLU 35 1HB GLU 35 18.073 0.573 8.788 278 HG2 GLU 35 2HG GLU 35 20.215 -0.112 6.752 279 HG3 GLU 35 1HG GLU 35 20.364 1.117 8.006 280 H LEU 36 H LEU 36 15.851 0.080 5.930 281 HA LEU 36 HA LEU 36 13.861 0.318 7.935 282 HB2 LEU 36 2HB LEU 36 14.050 1.537 5.661 283 HB3 LEU 36 1HB LEU 36 13.235 0.128 4.994 284 HG LEU 36 HG LEU 36 12.144 1.859 7.260 285 HD11 LEU 36 1HD1 LEU 36 10.679 1.795 4.712 286 HD12 LEU 36 2HD1 LEU 36 12.269 2.535 4.580 287 HD13 LEU 36 3HD1 LEU 36 11.100 3.154 5.748 288 HD21 LEU 36 3HD2 LEU 36 11.066 -0.148 7.590 289 HD22 LEU 36 1HD2 LEU 36 11.197 -0.640 5.910 290 HD23 LEU 36 2HD2 LEU 36 10.003 0.558 6.388 291 H LEU 37 H LEU 37 14.250 -2.164 5.331 292 HA LEU 37 HA LEU 37 11.870 -3.536 6.054 293 HB2 LEU 37 2HB LEU 37 14.335 -4.469 4.586 294 HB3 LEU 37 1HB LEU 37 12.981 -5.542 4.918 295 HG LEU 37 HG LEU 37 13.030 -4.322 2.632 296 HD11 LEU 37 1HD1 LEU 37 11.049 -5.509 3.707 297 HD12 LEU 37 2HD1 LEU 37 10.637 -4.250 2.542 298 HD13 LEU 37 3HD1 LEU 37 10.514 -3.925 4.271 299 HD21 LEU 37 3HD2 LEU 37 11.898 -2.083 4.296 300 HD22 LEU 37 1HD2 LEU 37 12.219 -2.080 2.567 301 HD23 LEU 37 2HD2 LEU 37 13.552 -2.101 3.711 302 H GLN 38 H GLN 38 15.255 -3.992 7.074 303 HA GLN 38 HA GLN 38 14.762 -6.281 8.660 304 HB2 GLN 38 2HB GLN 38 16.918 -4.173 8.859 305 HB3 GLN 38 1HB GLN 38 16.905 -5.671 9.792 306 HG2 GLN 38 2HG GLN 38 16.905 -6.991 7.735 307 HG3 GLN 38 1HG GLN 38 16.834 -5.523 6.765 308 HE21 GLN 38 1HE2 GLN 38 18.998 -7.360 6.470 309 HE22 GLN 38 2HE2 GLN 38 20.414 -6.622 7.047 310 H THR 39 H THR 39 14.639 -2.823 9.407 311 HA THR 39 HA THR 39 14.220 -3.210 12.208 312 HB THR 39 HB THR 39 13.633 -0.837 12.245 313 HG1 THR 39 1HG THR 39 13.540 -1.235 9.457 314 HG21 THR 39 3HG2 THR 39 15.907 -0.777 12.272 315 HG22 THR 39 1HG2 THR 39 15.735 -0.164 10.628 316 HG23 THR 39 2HG2 THR 39 16.055 -1.877 10.901 317 H GLU 40 H GLU 40 12.099 -2.980 9.407 318 HA GLU 40 HA GLU 40 9.759 -3.062 11.186 319 HB2 GLU 40 2HB GLU 40 10.048 -2.464 8.249 320 HB3 GLU 40 1HB GLU 40 8.509 -2.595 9.079 321 HG2 GLU 40 2HG GLU 40 10.709 -0.634 9.761 322 HG3 GLU 40 1HG GLU 40 9.197 -0.244 8.944 323 H LEU 41 H LEU 41 10.698 -4.683 8.110 324 HA LEU 41 HA LEU 41 8.964 -6.925 8.911 325 HB2 LEU 41 2HB LEU 41 10.302 -6.440 6.245 326 HB3 LEU 41 1HB LEU 41 9.100 -7.669 6.603 327 HG LEU 41 HG LEU 41 8.676 -4.664 6.626 328 HD11 LEU 41 1HD1 LEU 41 7.477 -4.969 4.642 329 HD12 LEU 41 2HD1 LEU 41 7.184 -6.678 4.965 330 HD13 LEU 41 3HD1 LEU 41 8.779 -6.141 4.449 331 HD21 LEU 41 3HD2 LEU 41 6.937 -6.958 7.547 332 HD22 LEU 41 1HD2 LEU 41 6.202 -5.507 6.870 333 HD23 LEU 41 2HD2 LEU 41 7.196 -5.386 8.316 334 H SER 42 H SER 42 9.651 -8.992 9.165 335 HA SER 42 HA SER 42 12.598 -9.352 9.203 336 HB2 SER 42 2HB SER 42 11.156 -9.500 11.373 337 HB3 SER 42 1HB SER 42 10.701 -11.084 10.750 338 HG SER 42 HG SER 42 13.285 -10.905 10.426 339 H GLY 43 H GLY 43 9.652 -11.347 8.943 340 HA2 GLY 43 2HA GLY 43 10.855 -13.568 7.773 341 HA3 GLY 43 1HA GLY 43 9.151 -13.173 7.660 342 H PHE 44 H PHE 44 9.416 -10.737 6.103 343 HA PHE 44 HA PHE 44 9.442 -11.888 3.539 344 HB2 PHE 44 2HB PHE 44 9.587 -9.015 4.429 345 HB3 PHE 44 1HB PHE 44 9.456 -9.494 2.736 346 HD1 PHE 44 1HD PHE 44 7.455 -10.641 1.895 347 HD2 PHE 44 2HD PHE 44 7.723 -9.339 5.977 348 HE1 PHE 44 1HE PHE 44 5.010 -10.953 2.156 349 HE2 PHE 44 2HE PHE 44 5.279 -9.645 6.238 350 HZ PHE 44 HZ PHE 44 3.921 -10.454 4.327 351 H LEU 45 H LEU 45 11.910 -9.721 4.991 352 HA LEU 45 HA LEU 45 13.678 -10.103 2.755 353 HB2 LEU 45 2HB LEU 45 13.742 -8.555 5.271 354 HB3 LEU 45 1HB LEU 45 15.317 -9.130 4.731 355 HG LEU 45 HG LEU 45 14.638 -6.857 3.818 356 HD11 LEU 45 1HD1 LEU 45 14.966 -8.163 1.311 357 HD12 LEU 45 2HD1 LEU 45 15.800 -9.168 2.504 358 HD13 LEU 45 3HD1 LEU 45 16.218 -7.460 2.333 359 HD21 LEU 45 3HD2 LEU 45 12.958 -8.095 1.721 360 HD22 LEU 45 1HD2 LEU 45 12.745 -6.577 2.586 361 HD23 LEU 45 2HD2 LEU 45 12.203 -8.083 3.317 362 H ASP 46 H ASP 46 13.405 -11.500 5.944 363 HA ASP 46 HA ASP 46 15.822 -12.887 5.955 364 HB2 ASP 46 2HB ASP 46 14.331 -12.579 7.935 365 HB3 ASP 46 1HB ASP 46 13.235 -13.779 7.251 366 H ALA 47 H ALA 47 12.795 -13.596 4.391 367 HA ALA 47 HA ALA 47 12.995 -16.330 3.998 368 HB1 ALA 47 1HB ALA 47 10.996 -15.037 3.441 369 HB2 ALA 47 2HB ALA 47 11.526 -15.989 2.054 370 HB3 ALA 47 3HB ALA 47 11.856 -14.258 2.113 371 H GLN 48 H GLN 48 14.753 -13.760 2.309 372 HA GLN 48 HA GLN 48 15.667 -15.684 0.294 373 HB2 GLN 48 2HB GLN 48 16.500 -12.811 0.697 374 HB3 GLN 48 1HB GLN 48 16.792 -13.814 -0.727 375 HG2 GLN 48 2HG GLN 48 14.102 -12.890 0.313 376 HG3 GLN 48 1HG GLN 48 14.900 -12.362 -1.169 377 HE21 GLN 48 1HE2 GLN 48 12.444 -14.307 -0.199 378 HE22 GLN 48 2HE2 GLN 48 12.514 -15.501 -1.406 379 H LYS 49 H LYS 49 17.366 -16.922 0.630 380 HA LYS 49 HA LYS 49 18.980 -16.816 2.917 381 HB2 LYS 49 2HB LYS 49 18.548 -18.857 1.594 382 HB3 LYS 49 1HB LYS 49 19.569 -18.213 0.308 383 HG2 LYS 49 2HG LYS 49 21.472 -18.096 1.904 384 HG3 LYS 49 1HG LYS 49 20.447 -18.807 3.151 385 HD2 LYS 49 2HD LYS 49 20.089 -20.783 1.647 386 HD3 LYS 49 1HD LYS 49 21.262 -20.089 0.528 387 HE2 LYS 49 2HE LYS 49 21.783 -20.891 3.405 388 HE3 LYS 49 1HE LYS 49 22.386 -21.711 1.965 389 HZ1 LYS 49 3HZ LYS 49 23.458 -19.536 1.373 390 HZ2 LYS 49 1HZ LYS 49 24.117 -20.330 2.718 391 HZ3 LYS 49 2HZ LYS 49 23.081 -19.002 2.941 392 H ASP 50 H ASP 50 19.628 -15.598 -0.356 393 HA ASP 50 HA ASP 50 22.373 -15.077 0.131 394 HB2 ASP 50 2HB ASP 50 20.496 -13.926 -1.928 395 HB3 ASP 50 1HB ASP 50 22.239 -13.640 -1.887 396 H VAL 51 H VAL 51 23.474 -13.270 0.688 397 HA VAL 51 HA VAL 51 22.122 -11.325 2.324 398 HB VAL 51 HB VAL 51 24.283 -10.446 2.798 399 HG11 VAL 51 1HG1 VAL 51 23.667 -13.003 3.333 400 HG12 VAL 51 2HG1 VAL 51 25.208 -12.289 3.806 401 HG13 VAL 51 3HG1 VAL 51 25.107 -13.277 2.350 402 HG21 VAL 51 3HG2 VAL 51 25.175 -11.891 0.284 403 HG22 VAL 51 1HG2 VAL 51 26.294 -11.201 1.457 404 HG23 VAL 51 2HG2 VAL 51 25.181 -10.155 0.580 405 H ASP 52 H ASP 52 23.248 -11.569 -0.939 406 HA ASP 52 HA ASP 52 23.048 -8.734 -1.518 407 HB2 ASP 52 2HB ASP 52 23.448 -11.156 -3.292 408 HB3 ASP 52 1HB ASP 52 23.440 -9.493 -3.874 409 H ALA 53 H ALA 53 20.858 -10.966 -0.795 410 HA ALA 53 HA ALA 53 18.950 -11.002 -2.823 411 HB1 ALA 53 1HB ALA 53 18.540 -10.941 0.170 412 HB2 ALA 53 2HB ALA 53 18.790 -12.386 -0.815 413 HB3 ALA 53 3HB ALA 53 17.331 -11.409 -1.025 414 H VAL 54 H VAL 54 19.649 -8.569 -0.343 415 HA VAL 54 HA VAL 54 17.392 -6.928 -0.781 416 HB VAL 54 HB VAL 54 19.126 -6.755 1.089 417 HG11 VAL 54 1HG1 VAL 54 21.144 -5.537 0.672 418 HG12 VAL 54 2HG1 VAL 54 20.608 -5.066 -0.939 419 HG13 VAL 54 3HG1 VAL 54 21.045 -6.741 -0.612 420 HG21 VAL 54 3HG2 VAL 54 17.977 -4.483 -0.491 421 HG22 VAL 54 1HG2 VAL 54 19.077 -4.104 0.834 422 HG23 VAL 54 2HG2 VAL 54 17.596 -5.008 1.149 423 H ASP 55 H ASP 55 20.599 -7.064 -2.290 424 HA ASP 55 HA ASP 55 20.333 -4.828 -3.971 425 HB2 ASP 55 2HB ASP 55 22.457 -6.104 -3.555 426 HB3 ASP 55 1HB ASP 55 21.826 -7.383 -4.591 427 H LYS 56 H LYS 56 19.493 -8.234 -4.351 428 HA LYS 56 HA LYS 56 18.535 -8.065 -7.017 429 HB2 LYS 56 2HB LYS 56 17.636 -9.935 -4.811 430 HB3 LYS 56 1HB LYS 56 17.403 -10.179 -6.539 431 HG2 LYS 56 2HG LYS 56 20.106 -9.971 -5.176 432 HG3 LYS 56 1HG LYS 56 19.332 -11.482 -5.641 433 HD2 LYS 56 2HD LYS 56 19.278 -10.597 -8.022 434 HD3 LYS 56 1HD LYS 56 20.304 -9.272 -7.471 435 HE2 LYS 56 2HE LYS 56 21.781 -10.945 -8.330 436 HE3 LYS 56 1HE LYS 56 21.905 -11.020 -6.572 437 HZ1 LYS 56 3HZ LYS 56 20.544 -12.913 -6.497 438 HZ2 LYS 56 1HZ LYS 56 21.636 -13.205 -7.762 439 HZ3 LYS 56 2HZ LYS 56 20.042 -12.731 -8.110 440 H VAL 57 H VAL 57 17.017 -7.525 -3.879 441 HA VAL 57 HA VAL 57 14.350 -7.355 -4.767 442 HB VAL 57 HB VAL 57 15.740 -6.104 -2.392 443 HG11 VAL 57 1HG1 VAL 57 13.329 -5.921 -1.541 444 HG12 VAL 57 2HG1 VAL 57 12.831 -6.145 -3.218 445 HG13 VAL 57 3HG1 VAL 57 13.813 -4.752 -2.768 446 HG21 VAL 57 3HG2 VAL 57 15.038 -7.975 -1.190 447 HG22 VAL 57 1HG2 VAL 57 15.363 -8.702 -2.765 448 HG23 VAL 57 2HG2 VAL 57 13.709 -8.316 -2.299 449 H MET 58 H MET 58 16.816 -4.785 -4.326 450 HA MET 58 HA MET 58 15.005 -2.716 -5.021 451 HB2 MET 58 2HB MET 58 16.866 -1.221 -5.243 452 HB3 MET 58 1HB MET 58 17.082 -2.223 -3.814 453 HG2 MET 58 2HG MET 58 18.942 -3.229 -4.658 454 HG3 MET 58 1HG MET 58 18.305 -3.289 -6.291 455 HE1 MET 58 3HE MET 58 20.072 0.402 -4.234 456 HE2 MET 58 1HE MET 58 19.266 -0.981 -3.485 457 HE3 MET 58 2HE MET 58 18.325 0.253 -4.322 458 H LYS 59 H LYS 59 16.970 -4.785 -7.107 459 HA LYS 59 HA LYS 59 17.013 -3.163 -9.385 460 HB2 LYS 59 2HB LYS 59 16.820 -6.149 -9.215 461 HB3 LYS 59 1HB LYS 59 17.239 -5.215 -10.656 462 HG2 LYS 59 2HG LYS 59 18.936 -4.122 -8.737 463 HG3 LYS 59 1HG LYS 59 18.871 -5.819 -8.263 464 HD2 LYS 59 2HD LYS 59 19.402 -4.829 -11.039 465 HD3 LYS 59 1HD LYS 59 20.676 -5.307 -9.909 466 HE2 LYS 59 2HE LYS 59 18.434 -7.128 -10.857 467 HE3 LYS 59 1HE LYS 59 20.086 -7.164 -11.470 468 HZ1 LYS 59 3HZ LYS 59 20.455 -7.281 -8.808 469 HZ2 LYS 59 1HZ LYS 59 20.419 -8.629 -9.836 470 HZ3 LYS 59 2HZ LYS 59 19.020 -8.172 -8.989 471 H GLU 60 H GLU 60 14.471 -5.437 -8.308 472 HA GLU 60 HA GLU 60 12.830 -5.086 -10.609 473 HB2 GLU 60 2HB GLU 60 12.605 -6.974 -9.004 474 HB3 GLU 60 1HB GLU 60 11.990 -5.845 -7.803 475 HG2 GLU 60 2HG GLU 60 10.160 -5.221 -9.375 476 HG3 GLU 60 1HG GLU 60 10.747 -6.441 -10.500 477 H LEU 61 H LEU 61 13.023 -3.522 -7.484 478 HA LEU 61 HA LEU 61 10.719 -1.904 -7.757 479 HB2 LEU 61 2HB LEU 61 13.146 -1.429 -6.026 480 HB3 LEU 61 1HB LEU 61 11.582 -0.648 -5.842 481 HG LEU 61 HG LEU 61 12.177 -3.601 -5.477 482 HD11 LEU 61 1HD1 LEU 61 10.983 -1.829 -3.388 483 HD12 LEU 61 2HD1 LEU 61 12.709 -1.673 -3.716 484 HD13 LEU 61 3HD1 LEU 61 12.048 -3.222 -3.207 485 HD21 LEU 61 3HD2 LEU 61 9.975 -3.645 -6.308 486 HD22 LEU 61 1HD2 LEU 61 9.584 -2.064 -5.617 487 HD23 LEU 61 2HD2 LEU 61 9.725 -3.471 -4.584 488 H ASP 62 H ASP 62 14.062 -1.381 -8.686 489 HA ASP 62 HA ASP 62 13.650 1.424 -9.046 490 HB2 ASP 62 2HB ASP 62 15.860 0.428 -8.579 491 HB3 ASP 62 1HB ASP 62 15.835 -0.312 -10.182 492 H GLU 63 H GLU 63 12.057 1.910 -10.459 493 HA GLU 63 HA GLU 63 11.648 0.714 -13.018 494 HB2 GLU 63 2HB GLU 63 9.893 1.952 -11.896 495 HB3 GLU 63 1HB GLU 63 10.917 3.391 -11.813 496 HG2 GLU 63 2HG GLU 63 10.971 3.524 -14.243 497 HG3 GLU 63 1HG GLU 63 9.928 2.088 -14.370 498 H ASN 64 H ASN 64 13.104 3.613 -11.873 499 HA ASN 64 HA ASN 64 13.870 4.882 -14.201 500 HB2 ASN 64 2HB ASN 64 15.028 4.763 -11.470 501 HB3 ASN 64 1HB ASN 64 15.420 6.035 -12.624 502 HD21 ASN 64 1HD2 ASN 64 12.925 6.706 -13.642 503 HD22 ASN 64 2HD2 ASN 64 11.884 7.190 -12.391 504 H GLY 65 H GLY 65 15.548 2.394 -12.328 505 HA2 GLY 65 2HA GLY 65 17.237 0.946 -13.159 506 HA3 GLY 65 1HA GLY 65 17.503 2.065 -14.501 507 H ASP 66 H ASP 66 17.082 3.866 -11.832 508 HA ASP 66 HA ASP 66 19.690 4.874 -11.666 509 HB2 ASP 66 2HB ASP 66 18.796 6.168 -9.772 510 HB3 ASP 66 1HB ASP 66 17.675 6.167 -11.130 511 H GLY 67 H GLY 67 18.051 2.396 -9.784 512 HA2 GLY 67 2HA GLY 67 19.180 0.666 -8.608 513 HA3 GLY 67 1HA GLY 67 20.603 1.705 -8.508 514 H GLU 68 H GLU 68 18.130 3.686 -7.941 515 HA GLU 68 HA GLU 68 18.194 3.305 -5.001 516 HB2 GLU 68 2HB GLU 68 19.378 5.324 -5.958 517 HB3 GLU 68 1HB GLU 68 17.806 5.890 -6.517 518 HG2 GLU 68 2HG GLU 68 16.968 5.830 -4.200 519 HG3 GLU 68 1HG GLU 68 18.543 5.288 -3.646 520 H VAL 69 H VAL 69 16.277 3.386 -3.903 521 HA VAL 69 HA VAL 69 13.926 2.905 -5.571 522 HB VAL 69 HB VAL 69 14.388 2.451 -2.627 523 HG11 VAL 69 1HG1 VAL 69 11.993 2.675 -3.312 524 HG12 VAL 69 2HG1 VAL 69 12.407 1.080 -2.688 525 HG13 VAL 69 3HG1 VAL 69 12.244 1.328 -4.426 526 HG21 VAL 69 3HG2 VAL 69 14.559 0.607 -5.004 527 HG22 VAL 69 1HG2 VAL 69 14.580 0.075 -3.323 528 HG23 VAL 69 2HG2 VAL 69 15.880 1.093 -3.939 529 H ASP 70 H ASP 70 12.142 4.166 -5.616 530 HA ASP 70 HA ASP 70 12.198 6.638 -4.026 531 HB2 ASP 70 2HB ASP 70 12.051 6.794 -6.515 532 HB3 ASP 70 1HB ASP 70 10.488 6.008 -6.421 533 H PHE 71 H PHE 71 10.229 7.473 -3.146 534 HA PHE 71 HA PHE 71 8.967 5.831 -1.322 535 HB2 PHE 71 2HB PHE 71 9.020 8.395 -1.556 536 HB3 PHE 71 1HB PHE 71 7.665 8.214 -2.652 537 HD1 PHE 71 1HD PHE 71 6.854 5.647 -0.545 538 HD2 PHE 71 2HD PHE 71 7.355 9.908 -0.394 539 HE1 PHE 71 1HE PHE 71 5.291 5.762 1.370 540 HE2 PHE 71 2HE PHE 71 5.804 10.004 1.525 541 HZ PHE 71 HZ PHE 71 4.782 7.939 2.400 542 H GLN 72 H GLN 72 7.833 6.743 -4.603 543 HA GLN 72 HA GLN 72 5.354 5.367 -4.449 544 HB2 GLN 72 2HB GLN 72 7.105 6.010 -6.841 545 HB3 GLN 72 1HB GLN 72 5.449 5.407 -6.945 546 HG2 GLN 72 2HG GLN 72 4.646 7.356 -5.697 547 HG3 GLN 72 1HG GLN 72 6.281 7.960 -5.526 548 HE21 GLN 72 1HE2 GLN 72 4.331 9.547 -6.765 549 HE22 GLN 72 2HE2 GLN 72 4.682 9.669 -8.417 550 H GLU 73 H GLU 73 8.604 4.314 -5.464 551 HA GLU 73 HA GLU 73 7.869 1.738 -6.381 552 HB2 GLU 73 2HB GLU 73 10.453 2.769 -5.221 553 HB3 GLU 73 1HB GLU 73 10.289 1.222 -6.042 554 HG2 GLU 73 2HG GLU 73 9.527 2.452 -8.085 555 HG3 GLU 73 1HG GLU 73 9.815 3.974 -7.241 556 H TYR 74 H TYR 74 8.933 2.990 -3.261 557 HA TYR 74 HA TYR 74 9.041 0.566 -1.800 558 HB2 TYR 74 2HB TYR 74 10.043 2.734 -1.090 559 HB3 TYR 74 1HB TYR 74 8.426 3.369 -0.820 560 HD1 TYR 74 2HD TYR 74 7.037 2.550 1.028 561 HD2 TYR 74 1HD TYR 74 11.010 1.059 0.370 562 HE1 TYR 74 2HE TYR 74 7.038 1.548 3.297 563 HE2 TYR 74 1HE TYR 74 11.010 0.068 2.639 564 HH TYR 74 HH TYR 74 9.593 -0.598 4.343 565 H VAL 75 H VAL 75 6.574 2.935 -2.394 566 HA VAL 75 HA VAL 75 4.581 1.958 -0.676 567 HB VAL 75 HB VAL 75 4.802 4.129 -2.518 568 HG11 VAL 75 1HG1 VAL 75 2.544 4.109 -3.570 569 HG12 VAL 75 2HG1 VAL 75 2.416 2.409 -3.171 570 HG13 VAL 75 3HG1 VAL 75 3.665 2.953 -4.273 571 HG21 VAL 75 3HG2 VAL 75 2.573 4.784 -1.457 572 HG22 VAL 75 1HG2 VAL 75 3.930 4.518 -0.361 573 HG23 VAL 75 2HG2 VAL 75 2.680 3.281 -0.548 574 H VAL 76 H VAL 76 5.152 1.273 -4.160 575 HA VAL 76 HA VAL 76 2.951 -0.558 -4.198 576 HB VAL 76 HB VAL 76 3.748 -1.337 -6.334 577 HG11 VAL 76 1HG1 VAL 76 4.416 1.602 -6.293 578 HG12 VAL 76 2HG1 VAL 76 2.772 1.049 -5.966 579 HG13 VAL 76 3HG1 VAL 76 3.535 0.686 -7.516 580 HG21 VAL 76 3HG2 VAL 76 6.235 0.302 -5.868 581 HG22 VAL 76 1HG2 VAL 76 5.896 -0.728 -7.247 582 HG23 VAL 76 2HG2 VAL 76 6.183 -1.441 -5.661 583 H LEU 77 H LEU 77 6.411 -0.877 -3.372 584 HA LEU 77 HA LEU 77 6.498 -3.687 -3.338 585 HB2 LEU 77 2HB LEU 77 8.517 -2.387 -2.979 586 HB3 LEU 77 1HB LEU 77 7.854 -1.685 -1.517 587 HG LEU 77 HG LEU 77 7.787 -4.042 -0.534 588 HD11 LEU 77 1HD1 LEU 77 8.240 -5.023 -3.012 589 HD12 LEU 77 2HD1 LEU 77 8.735 -5.857 -1.549 590 HD13 LEU 77 3HD1 LEU 77 9.899 -4.900 -2.443 591 HD21 LEU 77 3HD2 LEU 77 10.486 -2.936 -1.328 592 HD22 LEU 77 1HD2 LEU 77 10.157 -3.989 0.047 593 HD23 LEU 77 2HD2 LEU 77 9.499 -2.353 0.011 594 H VAL 78 H VAL 78 5.622 -1.500 -0.608 595 HA VAL 78 HA VAL 78 4.990 -3.731 1.058 596 HB VAL 78 HB VAL 78 3.880 -2.176 2.586 597 HG11 VAL 78 1HG1 VAL 78 6.119 -2.236 3.055 598 HG12 VAL 78 2HG1 VAL 78 5.937 -0.520 2.691 599 HG13 VAL 78 3HG1 VAL 78 6.588 -1.616 1.470 600 HG21 VAL 78 3HG2 VAL 78 3.711 0.193 2.123 601 HG22 VAL 78 1HG2 VAL 78 2.872 -0.674 0.844 602 HG23 VAL 78 2HG2 VAL 78 4.475 0.001 0.551 603 H ALA 79 H ALA 79 3.007 -1.771 -1.140 604 HA ALA 79 HA ALA 79 0.533 -2.873 -0.192 605 HB1 ALA 79 1HB ALA 79 -0.469 -1.601 -1.780 606 HB2 ALA 79 2HB ALA 79 0.724 -1.994 -3.024 607 HB3 ALA 79 3HB ALA 79 1.097 -0.809 -1.782 608 H ALA 80 H ALA 80 2.537 -3.686 -3.022 609 HA ALA 80 HA ALA 80 0.897 -5.791 -3.938 610 HB1 ALA 80 1HB ALA 80 3.035 -6.549 -5.096 611 HB2 ALA 80 2HB ALA 80 3.835 -5.184 -4.317 612 HB3 ALA 80 3HB ALA 80 2.509 -4.900 -5.449 613 H LEU 81 H LEU 81 3.631 -5.642 -1.654 614 HA LEU 81 HA LEU 81 3.690 -8.462 -1.243 615 HB2 LEU 81 2HB LEU 81 4.844 -6.124 0.206 616 HB3 LEU 81 1HB LEU 81 4.714 -7.654 1.067 617 HG LEU 81 HG LEU 81 5.961 -8.794 -0.726 618 HD11 LEU 81 1HD1 LEU 81 5.207 -7.108 -2.535 619 HD12 LEU 81 2HD1 LEU 81 6.850 -7.722 -2.623 620 HD13 LEU 81 3HD1 LEU 81 6.548 -6.121 -1.975 621 HD21 LEU 81 3HD2 LEU 81 7.347 -6.291 0.276 622 HD22 LEU 81 1HD2 LEU 81 8.155 -7.734 -0.337 623 HD23 LEU 81 2HD2 LEU 81 7.211 -7.818 1.151 624 H THR 82 H THR 82 1.760 -5.831 0.146 625 HA THR 82 HA THR 82 0.703 -7.317 2.317 626 HB THR 82 HB THR 82 -0.680 -5.152 0.722 627 HG1 THR 82 1HG THR 82 0.530 -3.771 1.757 628 HG21 THR 82 3HG2 THR 82 -1.174 -6.513 3.330 629 HG22 THR 82 1HG2 THR 82 -2.326 -5.897 2.145 630 HG23 THR 82 2HG2 THR 82 -1.496 -4.784 3.232 631 H VAL 83 H VAL 83 -0.625 -6.798 -0.980 632 HA VAL 83 HA VAL 83 -2.856 -8.532 -0.524 633 HB VAL 83 HB VAL 83 -2.880 -6.922 -2.395 634 HG11 VAL 83 1HG1 VAL 83 -1.623 -7.228 -4.381 635 HG12 VAL 83 2HG1 VAL 83 -1.079 -8.831 -3.893 636 HG13 VAL 83 3HG1 VAL 83 -0.466 -7.397 -3.090 637 HG21 VAL 83 3HG2 VAL 83 -3.080 -9.638 -3.659 638 HG22 VAL 83 1HG2 VAL 83 -4.199 -8.276 -3.748 639 HG23 VAL 83 2HG2 VAL 83 -4.123 -9.255 -2.285 640 H ALA 84 H ALA 84 0.402 -9.129 -1.773 641 HA ALA 84 HA ALA 84 -0.046 -11.838 -2.504 642 HB1 ALA 84 1HB ALA 84 2.283 -11.994 -2.764 643 HB2 ALA 84 2HB ALA 84 2.593 -10.752 -1.550 644 HB3 ALA 84 3HB ALA 84 1.927 -10.304 -3.122 645 H CYS 85 H CHC 85 0.663 -10.198 0.476 646 HA CYS 85 HA CHC 85 1.471 -12.459 1.991 647 HB2 CYS 85 2HB CHC 85 1.922 -10.120 2.687 648 HB3 CYS 85 1HB CHC 85 0.196 -9.882 2.944 649 H ASN 86 H ASN 86 -1.644 -10.667 1.826 650 HA ASN 86 HA ASN 86 -3.057 -12.473 3.466 651 HB2 ASN 86 2HB ASN 86 -3.889 -10.237 2.567 652 HB3 ASN 86 1HB ASN 86 -4.245 -11.084 1.062 653 HD21 ASN 86 1HD2 ASN 86 -6.323 -11.943 0.960 654 HD22 ASN 86 2HD2 ASN 86 -7.274 -12.352 2.307 655 H ASN 87 H ASN 87 -2.379 -12.473 -0.015 656 HA ASN 87 HA ASN 87 -3.890 -14.750 -0.729 657 HB2 ASN 87 2HB ASN 87 -1.306 -13.667 -1.876 658 HB3 ASN 87 1HB ASN 87 -2.293 -14.908 -2.642 659 HD21 ASN 87 1HD2 ASN 87 -1.823 -12.399 -3.932 660 HD22 ASN 87 2HD2 ASN 87 -3.289 -11.547 -3.994 661 H PHE 88 H PHE 88 -0.644 -14.377 0.593 662 HA PHE 88 HA PHE 88 0.117 -17.099 0.346 663 HB2 PHE 88 2HB PHE 88 1.103 -14.803 2.014 664 HB3 PHE 88 1HB PHE 88 1.733 -16.428 2.261 665 HD1 PHE 88 1HD PHE 88 0.642 -15.417 -1.126 666 HD2 PHE 88 2HD PHE 88 3.978 -15.698 1.576 667 HE1 PHE 88 1HE PHE 88 2.202 -15.124 -3.019 668 HE2 PHE 88 2HE PHE 88 5.535 -15.404 -0.330 669 HZ PHE 88 HZ PHE 88 4.648 -15.118 -2.625 670 H PHE 89 H PHE 89 -1.447 -15.255 2.952 671 HA PHE 89 HA PHE 89 -1.381 -17.333 4.866 672 HB2 PHE 89 2HB PHE 89 -1.853 -14.956 5.398 673 HB3 PHE 89 1HB PHE 89 -3.420 -15.115 4.604 674 HD1 PHE 89 1HD PHE 89 -1.351 -16.255 7.458 675 HD2 PHE 89 2HD PHE 89 -5.243 -16.300 5.643 676 HE1 PHE 89 1HE PHE 89 -2.310 -17.199 9.541 677 HE2 PHE 89 2HE PHE 89 -6.203 -17.244 7.725 678 HZ PHE 89 HZ PHE 89 -4.737 -17.694 9.675 679 H TRP 90 H TRP 90 -4.026 -16.302 2.670 680 HA TRP 90 HA TRP 90 -5.755 -18.443 3.404 681 HB2 TRP 90 2HB TRP 90 -6.629 -16.410 2.377 682 HB3 TRP 90 1HB TRP 90 -5.770 -16.805 0.880 683 HD1 TRP 90 HD TRP 90 -6.385 -19.127 -0.268 684 HE1 TRP 90 1HE TRP 90 -8.619 -20.398 -0.417 685 HE3 TRP 90 3HE TRP 90 -8.869 -16.916 3.586 686 HZ2 TRP 90 2HZ TRP 90 -11.141 -20.464 0.945 687 HZ3 TRP 90 3HZ TRP 90 -11.184 -17.603 4.149 688 HH2 TRP 90 HH TRP 90 -12.319 -19.375 2.835 689 H GLU 91 H GLU 91 -3.419 -18.024 0.846 690 HA GLU 91 HA GLU 91 -3.996 -20.731 -0.143 691 HB2 GLU 91 2HB GLU 91 -3.867 -18.450 -1.486 692 HB3 GLU 91 1HB GLU 91 -2.146 -18.821 -1.505 693 HG2 GLU 91 2HG GLU 91 -4.288 -20.789 -2.377 694 HG3 GLU 91 1HG GLU 91 -3.424 -19.729 -3.489 695 H ASN 92 H ASN 92 -2.500 -22.337 -0.158 696 HA ASN 92 HA ASN 92 0.045 -21.801 1.245 697 HB2 ASN 92 2HB ASN 92 -1.428 -24.410 0.811 698 HB3 ASN 92 1HB ASN 92 0.078 -24.218 1.705 699 HD21 ASN 92 1HD2 ASN 92 -0.479 -21.835 3.142 700 HD22 ASN 92 2HD2 ASN 92 -1.764 -22.128 4.212 701 H SER 93 H SER 93 1.971 -22.237 0.292 702 HA SER 93 HA SER 93 2.105 -23.793 -2.163 703 HB2 SER 93 2HB SER 93 1.536 -21.284 -2.671 704 HB3 SER 93 1HB SER 93 3.238 -21.019 -2.296 705 HG SER 93 HG SER 93 3.765 -21.977 -4.098 706 H1 GLY 1 H GLY 1 9.509 0.381 15.313 707 HA2 GLY 1 2HA GLY 1 10.102 -1.961 14.973 708 HA3 GLY 1 1HA GLY 1 8.725 -1.912 16.069 709 H SER 2 H SER 2 7.173 -3.292 15.549 710 HA SER 2 HA SER 2 7.009 -4.443 12.892 711 HB2 SER 2 2HB SER 2 5.408 -4.914 15.414 712 HB3 SER 2 1HB SER 2 5.169 -5.799 13.911 713 HG SER 2 HG SER 2 6.886 -6.927 14.348 714 H GLU 3 H GLU 3 6.114 -1.551 13.829 715 HA GLU 3 HA GLU 3 3.360 -1.307 13.488 716 HB2 GLU 3 2HB GLU 3 5.586 0.626 12.847 717 HB3 GLU 3 1HB GLU 3 3.882 1.063 12.857 718 HG2 GLU 3 2HG GLU 3 3.722 0.310 15.209 719 HG3 GLU 3 1HG GLU 3 5.446 -0.058 15.194 720 H LEU 4 H LEU 4 5.900 -1.330 10.957 721 HA LEU 4 HA LEU 4 4.175 -0.508 8.848 722 HB2 LEU 4 2HB LEU 4 6.760 -0.786 8.876 723 HB3 LEU 4 1HB LEU 4 6.421 -2.475 8.509 724 HG LEU 4 HG LEU 4 5.344 -0.147 6.899 725 HD11 LEU 4 1HD1 LEU 4 7.935 -0.556 6.922 726 HD12 LEU 4 2HD1 LEU 4 7.093 -0.295 5.396 727 HD13 LEU 4 3HD1 LEU 4 7.534 -1.928 5.887 728 HD21 LEU 4 3HD2 LEU 4 3.968 -1.810 6.239 729 HD22 LEU 4 1HD2 LEU 4 5.080 -3.101 6.685 730 HD23 LEU 4 2HD2 LEU 4 5.315 -2.211 5.184 731 H GLU 5 H GLU 5 5.087 -3.640 10.199 732 HA GLU 5 HA GLU 5 3.658 -5.291 8.399 733 HB2 GLU 5 2HB GLU 5 5.464 -5.834 10.259 734 HB3 GLU 5 1HB GLU 5 4.043 -6.051 11.277 735 HG2 GLU 5 2HG GLU 5 4.407 -7.432 8.603 736 HG3 GLU 5 1HG GLU 5 4.859 -8.155 10.142 737 H THR 6 H THR 6 2.853 -3.743 11.464 738 HA THR 6 HA THR 6 0.300 -4.878 11.830 739 HB THR 6 HB THR 6 1.214 -2.102 12.625 740 HG1 THR 6 1HG THR 6 1.921 -4.603 13.456 741 HG21 THR 6 3HG2 THR 6 -0.427 -2.609 14.525 742 HG22 THR 6 1HG2 THR 6 -1.003 -3.944 13.527 743 HG23 THR 6 2HG2 THR 6 -1.138 -2.284 12.944 744 H ALA 7 H ALA 7 1.457 -2.074 10.033 745 HA ALA 7 HA ALA 7 -1.069 -1.044 9.296 746 HB1 ALA 7 1HB ALA 7 0.132 0.246 7.665 747 HB2 ALA 7 2HB ALA 7 1.480 -0.888 7.677 748 HB3 ALA 7 3HB ALA 7 1.167 0.123 9.087 749 H MET 8 H MET 8 1.139 -3.368 7.736 750 HA MET 8 HA MET 8 -0.365 -3.768 5.364 751 HB2 MET 8 2HB MET 8 1.412 -5.656 6.949 752 HB3 MET 8 1HB MET 8 0.803 -6.003 5.332 753 HG2 MET 8 2HG MET 8 1.917 -3.969 4.476 754 HG3 MET 8 1HG MET 8 2.539 -3.633 6.079 755 HE1 MET 8 3HE MET 8 2.528 -5.667 2.986 756 HE2 MET 8 1HE MET 8 2.290 -7.106 3.985 757 HE3 MET 8 2HE MET 8 3.808 -6.865 3.126 758 H GLU 9 H GLU 9 -0.506 -5.257 8.568 759 HA GLU 9 HA GLU 9 -2.541 -7.141 7.976 760 HB2 GLU 9 2HB GLU 9 -1.718 -5.865 10.592 761 HB3 GLU 9 1HB GLU 9 -2.875 -7.190 10.454 762 HG2 GLU 9 2HG GLU 9 -1.142 -8.561 9.326 763 HG3 GLU 9 1HG GLU 9 0.013 -7.250 9.535 764 H THR 10 H THR 10 -2.569 -3.760 9.006 765 HA THR 10 HA THR 10 -5.331 -3.635 9.600 766 HB THR 10 HB THR 10 -3.571 -1.413 8.546 767 HG1 THR 10 1HG THR 10 -3.130 -1.031 10.693 768 HG21 THR 10 3HG2 THR 10 -5.193 0.022 9.752 769 HG22 THR 10 1HG2 THR 10 -6.136 -1.411 10.166 770 HG23 THR 10 2HG2 THR 10 -5.980 -0.917 8.478 771 H LEU 11 H LEU 11 -3.503 -3.042 6.582 772 HA LEU 11 HA LEU 11 -5.752 -2.232 5.062 773 HB2 LEU 11 2HB LEU 11 -3.337 -3.748 4.046 774 HB3 LEU 11 1HB LEU 11 -4.419 -2.743 3.094 775 HG LEU 11 HG LEU 11 -2.513 -1.822 5.257 776 HD11 LEU 11 1HD1 LEU 11 -2.656 -1.336 2.276 777 HD12 LEU 11 2HD1 LEU 11 -1.433 -2.275 3.133 778 HD13 LEU 11 3HD1 LEU 11 -1.530 -0.530 3.368 779 HD21 LEU 11 3HD2 LEU 11 -4.305 -0.330 5.545 780 HD22 LEU 11 1HD2 LEU 11 -4.740 -0.376 3.832 781 HD23 LEU 11 2HD2 LEU 11 -3.302 0.494 4.356 782 H ILE 12 H ILE 12 -4.262 -5.387 5.685 783 HA ILE 12 HA ILE 12 -6.008 -6.872 4.008 784 HB ILE 12 HB ILE 12 -4.524 -7.728 6.499 785 HG12 ILE 12 2HG1 ILE 12 -3.872 -8.193 3.579 786 HG13 ILE 12 1HG1 ILE 12 -3.188 -6.872 4.505 787 HG21 ILE 12 1HG2 ILE 12 -5.968 -9.315 4.360 788 HG22 ILE 12 2HG2 ILE 12 -6.326 -9.285 6.087 789 HG23 ILE 12 3HG2 ILE 12 -4.832 -10.024 5.508 790 HD11 ILE 12 3HD1 ILE 12 -2.949 -9.813 5.204 791 HD12 ILE 12 1HD1 ILE 12 -2.209 -8.481 6.091 792 HD13 ILE 12 2HD1 ILE 12 -1.682 -8.846 4.447 793 H ASN 13 H ASN 13 -6.216 -6.091 7.467 794 HA ASN 13 HA ASN 13 -8.551 -7.547 8.006 795 HB2 ASN 13 2HB ASN 13 -7.434 -5.074 9.324 796 HB3 ASN 13 1HB ASN 13 -8.757 -6.038 9.978 797 HD21 ASN 13 1HD2 ASN 13 -6.290 -5.763 11.402 798 HD22 ASN 13 2HD2 ASN 13 -5.514 -7.273 11.422 799 H VAL 14 H VAL 14 -8.195 -4.146 6.923 800 HA VAL 14 HA VAL 14 -11.019 -3.709 7.164 801 HB VAL 14 HB VAL 14 -10.701 -1.558 6.135 802 HG11 VAL 14 1HG1 VAL 14 -9.701 -2.271 8.514 803 HG12 VAL 14 2HG1 VAL 14 -9.526 -0.635 7.882 804 HG13 VAL 14 3HG1 VAL 14 -8.195 -1.778 7.742 805 HG21 VAL 14 3HG2 VAL 14 -7.982 -2.621 5.348 806 HG22 VAL 14 1HG2 VAL 14 -8.331 -0.904 5.426 807 HG23 VAL 14 2HG2 VAL 14 -9.220 -1.935 4.307 808 H PHE 15 H PHE 15 -8.883 -4.556 4.424 809 HA PHE 15 HA PHE 15 -10.894 -4.381 2.432 810 HB2 PHE 15 2HB PHE 15 -8.522 -4.626 1.858 811 HB3 PHE 15 1HB PHE 15 -8.514 -6.247 2.559 812 HD1 PHE 15 1HD PHE 15 -10.348 -4.170 0.034 813 HD2 PHE 15 2HD PHE 15 -9.065 -8.083 1.244 814 HE1 PHE 15 1HE PHE 15 -11.243 -5.122 -2.067 815 HE2 PHE 15 2HE PHE 15 -9.948 -9.028 -0.866 816 HZ PHE 15 HZ PHE 15 -11.041 -7.547 -2.527 817 H HIS 16 H HIS 16 -9.801 -7.030 4.488 818 HA HIS 16 HA HIS 16 -11.683 -8.933 3.564 819 HB2 HIS 16 2HB HIS 16 -9.641 -9.544 4.851 820 HB3 HIS 16 1HB HIS 16 -10.341 -8.773 6.274 821 HD1 HIS 16 1HD HIS 16 -12.235 -10.005 7.496 822 HD2 HIS 16 2HD HIS 16 -10.946 -11.983 4.060 823 HE1 HIS 16 1HE HIS 16 -13.293 -12.306 7.554 824 HE2 HIS 16 2HE HIS 16 -12.517 -13.524 5.465 825 H ALA 17 H ALA 17 -11.784 -6.419 6.006 826 HA ALA 17 HA ALA 17 -14.091 -7.267 7.326 827 HB1 ALA 17 1HB ALA 17 -12.630 -5.265 7.916 828 HB2 ALA 17 2HB ALA 17 -14.366 -4.993 8.031 829 HB3 ALA 17 3HB ALA 17 -13.471 -4.374 6.634 830 H HIS 18 H HIS 18 -13.763 -5.082 4.494 831 HA HIS 18 HA HIS 18 -16.665 -5.147 4.196 832 HB2 HIS 18 2HB HIS 18 -14.466 -3.805 2.679 833 HB3 HIS 18 1HB HIS 18 -16.120 -3.822 2.064 834 HD1 HIS 18 1HD HIS 18 -14.306 -2.992 5.324 835 HD2 HIS 18 2HD HIS 18 -17.736 -1.906 3.227 836 HE1 HIS 18 1HE HIS 18 -15.409 -1.145 6.664 837 HE2 HIS 18 2HE HIS 18 -17.503 -0.470 5.396 838 H SER 19 H SER 19 -14.014 -6.412 2.062 839 HA SER 19 HA SER 19 -15.777 -7.507 0.181 840 HB2 SER 19 2HB SER 19 -13.311 -7.368 -0.158 841 HB3 SER 19 1HB SER 19 -13.111 -8.689 0.985 842 HG SER 19 HG SER 19 -13.190 -9.583 -1.071 843 H GLY 20 H GLY 20 -14.480 -8.777 3.208 844 HA2 GLY 20 2HA GLY 20 -15.711 -11.351 3.058 845 HA3 GLY 20 1HA GLY 20 -14.974 -10.643 4.467 846 H LYS 21 H LYS 21 -16.573 -8.330 4.709 847 HA LYS 21 HA LYS 21 -18.779 -9.343 6.140 848 HB2 LYS 21 2HB LYS 21 -17.894 -7.117 6.543 849 HB3 LYS 21 1HB LYS 21 -18.428 -6.582 4.951 850 HG2 LYS 21 2HG LYS 21 -20.769 -7.052 5.642 851 HG3 LYS 21 1HG LYS 21 -20.178 -7.542 7.232 852 HD2 LYS 21 2HD LYS 21 -20.854 -5.224 7.376 853 HD3 LYS 21 1HD LYS 21 -19.099 -5.282 7.455 854 HE2 LYS 21 2HE LYS 21 -20.264 -5.046 4.726 855 HE3 LYS 21 1HE LYS 21 -20.458 -3.639 5.774 856 HZ1 LYS 21 3HZ LYS 21 -18.314 -3.957 4.347 857 HZ2 LYS 21 1HZ LYS 21 -17.835 -4.938 5.645 858 HZ3 LYS 21 2HZ LYS 21 -18.224 -3.306 5.914 859 H GLU 22 H GLU 22 -18.652 -7.972 2.847 860 HA GLU 22 HA GLU 22 -21.246 -9.304 2.349 861 HB2 GLU 22 2HB GLU 22 -21.617 -6.885 2.804 862 HB3 GLU 22 1HB GLU 22 -20.571 -6.504 1.438 863 HG2 GLU 22 2HG GLU 22 -22.075 -7.819 -0.045 864 HG3 GLU 22 1HG GLU 22 -23.146 -8.098 1.328 865 H GLY 23 H GLY 23 -21.437 -10.267 0.356 866 HA2 GLY 23 2HA GLY 23 -20.894 -10.869 -1.818 867 HA3 GLY 23 1HA GLY 23 -19.738 -9.541 -1.851 868 H ASP 24 H ASP 24 -18.394 -11.133 -3.018 869 HA ASP 24 HA ASP 24 -17.379 -13.438 -1.679 870 HB2 ASP 24 2HB ASP 24 -16.290 -11.843 -3.997 871 HB3 ASP 24 1HB ASP 24 -15.597 -13.358 -3.435 872 H LYS 25 H LYS 25 -15.545 -13.704 -0.503 873 HA LYS 25 HA LYS 25 -14.725 -11.612 1.142 874 HB2 LYS 25 2HB LYS 25 -13.266 -14.191 0.606 875 HB3 LYS 25 1HB LYS 25 -13.041 -13.135 2.004 876 HG2 LYS 25 2HG LYS 25 -15.508 -13.483 2.559 877 HG3 LYS 25 1HG LYS 25 -15.564 -14.707 1.301 878 HD2 LYS 25 2HD LYS 25 -13.660 -14.759 3.663 879 HD3 LYS 25 1HD LYS 25 -15.177 -15.652 3.581 880 HE2 LYS 25 2HE LYS 25 -14.055 -16.440 1.238 881 HE3 LYS 25 1HE LYS 25 -12.599 -16.170 2.201 882 HZ1 LYS 25 3HZ LYS 25 -13.841 -18.442 2.277 883 HZ2 LYS 25 1HZ LYS 25 -14.839 -17.643 3.392 884 HZ3 LYS 25 2HZ LYS 25 -13.171 -17.780 3.692 885 H TYR 26 H TYR 26 -13.318 -12.762 -1.852 886 HA TYR 26 HA TYR 26 -11.063 -10.897 -1.479 887 HB2 TYR 26 2HB TYR 26 -11.410 -13.197 -3.403 888 HB3 TYR 26 1HB TYR 26 -9.990 -12.157 -3.312 889 HD1 TYR 26 2HD TYR 26 -8.618 -12.097 -1.221 890 HD2 TYR 26 1HD TYR 26 -11.778 -14.946 -1.807 891 HE1 TYR 26 2HE TYR 26 -7.701 -13.491 0.612 892 HE2 TYR 26 1HE TYR 26 -10.860 -16.341 0.027 893 HH TYR 26 HH TYR 26 -9.376 -15.845 2.144 894 H LYS 27 H LYS 27 -13.958 -10.263 -2.560 895 HA LYS 27 HA LYS 27 -12.875 -8.703 -4.813 896 HB2 LYS 27 2HB LYS 27 -13.968 -10.899 -5.637 897 HB3 LYS 27 1HB LYS 27 -15.483 -10.150 -5.159 898 HG2 LYS 27 2HG LYS 27 -15.256 -9.686 -7.438 899 HG3 LYS 27 1HG LYS 27 -14.843 -8.198 -6.595 900 HD2 LYS 27 2HD LYS 27 -12.483 -8.575 -6.983 901 HD3 LYS 27 1HD LYS 27 -12.792 -10.198 -7.584 902 HE2 LYS 27 2HE LYS 27 -14.170 -9.125 -9.419 903 HE3 LYS 27 1HE LYS 27 -13.566 -7.565 -8.862 904 HZ1 LYS 27 3HZ LYS 27 -12.235 -9.607 -10.381 905 HZ2 LYS 27 1HZ LYS 27 -11.323 -9.070 -9.055 906 HZ3 LYS 27 2HZ LYS 27 -11.862 -7.956 -10.219 907 H LEU 28 H LEU 28 -13.810 -6.658 -5.038 908 HA LEU 28 HA LEU 28 -15.770 -6.011 -2.921 909 HB2 LEU 28 2HB LEU 28 -13.282 -5.269 -2.896 910 HB3 LEU 28 1HB LEU 28 -13.754 -4.156 -4.134 911 HG LEU 28 HG LEU 28 -15.368 -3.066 -2.642 912 HD11 LEU 28 1HD1 LEU 28 -16.155 -4.614 -1.056 913 HD12 LEU 28 2HD1 LEU 28 -14.993 -3.710 -0.101 914 HD13 LEU 28 3HD1 LEU 28 -14.550 -5.282 -0.753 915 HD21 LEU 28 3HD2 LEU 28 -12.931 -2.368 -2.696 916 HD22 LEU 28 1HD2 LEU 28 -12.654 -3.403 -1.297 917 HD23 LEU 28 2HD2 LEU 28 -13.719 -2.015 -1.152 918 H SER 29 H SER 29 -17.658 -5.053 -3.506 919 HA SER 29 HA SER 29 -18.037 -4.351 -6.341 920 HB2 SER 29 2HB SER 29 -20.406 -4.588 -5.938 921 HB3 SER 29 1HB SER 29 -19.577 -6.008 -5.309 922 HG SER 29 HG SER 29 -19.964 -5.363 -3.307 923 H LYS 30 H LYS 30 -19.524 -2.456 -6.802 924 HA LYS 30 HA LYS 30 -18.398 -0.075 -5.957 925 HB2 LYS 30 2HB LYS 30 -19.970 -0.330 -7.889 926 HB3 LYS 30 1HB LYS 30 -21.288 -0.404 -6.727 927 HG2 LYS 30 2HG LYS 30 -20.566 1.834 -5.838 928 HG3 LYS 30 1HG LYS 30 -19.356 1.900 -7.115 929 HD2 LYS 30 2HD LYS 30 -21.277 3.112 -7.902 930 HD3 LYS 30 1HD LYS 30 -21.223 1.584 -8.784 931 HE2 LYS 30 2HE LYS 30 -22.729 1.373 -6.247 932 HE3 LYS 30 1HE LYS 30 -23.430 2.535 -7.385 933 HZ1 LYS 30 3HZ LYS 30 -23.776 -0.144 -7.475 934 HZ2 LYS 30 1HZ LYS 30 -22.561 0.097 -8.633 935 HZ3 LYS 30 2HZ LYS 30 -24.040 0.923 -8.771 936 H LYS 31 H LYS 31 -21.407 -1.546 -4.825 937 HA LYS 31 HA LYS 31 -22.065 0.474 -3.013 938 HB2 LYS 31 2HB LYS 31 -23.592 -1.166 -2.059 939 HB3 LYS 31 1HB LYS 31 -23.592 -1.311 -3.820 940 HG2 LYS 31 2HG LYS 31 -21.875 -3.133 -3.598 941 HG3 LYS 31 1HG LYS 31 -22.104 -3.042 -1.854 942 HD2 LYS 31 2HD LYS 31 -24.474 -3.445 -2.169 943 HD3 LYS 31 1HD LYS 31 -24.207 -3.739 -3.881 944 HE2 LYS 31 2HE LYS 31 -22.713 -5.240 -1.721 945 HE3 LYS 31 1HE LYS 31 -24.266 -5.803 -2.338 946 HZ1 LYS 31 3HZ LYS 31 -22.435 -5.084 -4.419 947 HZ2 LYS 31 1HZ LYS 31 -23.331 -6.510 -4.211 948 HZ3 LYS 31 2HZ LYS 31 -21.834 -6.328 -3.430 949 H GLU 32 H GLU 32 -20.360 -2.623 -2.525 950 HA GLU 32 HA GLU 32 -19.915 -2.312 0.242 951 HB2 GLU 32 2HB GLU 32 -18.211 -3.776 -1.798 952 HB3 GLU 32 1HB GLU 32 -18.069 -3.944 -0.047 953 HG2 GLU 32 2HG GLU 32 -20.428 -4.704 0.053 954 HG3 GLU 32 1HG GLU 32 -20.515 -4.607 -1.693 955 H LEU 33 H LEU 33 -17.657 -1.461 -2.493 956 HA LEU 33 HA LEU 33 -15.682 -0.508 -0.709 957 HB2 LEU 33 2HB LEU 33 -14.768 0.828 -2.619 958 HB3 LEU 33 1HB LEU 33 -14.902 -0.887 -2.885 959 HG LEU 33 HG LEU 33 -17.330 -0.048 -3.842 960 HD11 LEU 33 1HD1 LEU 33 -15.279 2.017 -4.743 961 HD12 LEU 33 2HD1 LEU 33 -16.578 2.353 -3.591 962 HD13 LEU 33 3HD1 LEU 33 -16.960 1.907 -5.247 963 HD21 LEU 33 3HD2 LEU 33 -16.155 -1.588 -5.157 964 HD22 LEU 33 1HD2 LEU 33 -14.655 -0.669 -5.080 965 HD23 LEU 33 2HD2 LEU 33 -15.951 -0.128 -6.132 966 H LYS 34 H LYS 34 -18.498 1.008 -2.137 967 HA LYS 34 HA LYS 34 -17.886 3.638 -1.412 968 HB2 LYS 34 2HB LYS 34 -19.883 2.976 -2.754 969 HB3 LYS 34 1HB LYS 34 -20.594 2.275 -1.304 970 HG2 LYS 34 2HG LYS 34 -21.564 4.428 -1.459 971 HG3 LYS 34 1HG LYS 34 -20.304 4.604 -0.240 972 HD2 LYS 34 2HD LYS 34 -18.791 5.586 -1.883 973 HD3 LYS 34 1HD LYS 34 -19.952 5.289 -3.171 974 HE2 LYS 34 2HE LYS 34 -19.807 7.521 -1.313 975 HE3 LYS 34 1HE LYS 34 -20.796 7.351 -2.760 976 HZ1 LYS 34 3HZ LYS 34 -22.454 6.206 -1.530 977 HZ2 LYS 34 1HZ LYS 34 -22.069 7.611 -0.661 978 HZ3 LYS 34 2HZ LYS 34 -21.465 6.107 -0.151 979 H GLU 35 H GLU 35 -19.072 0.859 0.453 980 HA GLU 35 HA GLU 35 -19.534 2.418 2.829 981 HB2 GLU 35 2HB GLU 35 -19.313 -0.554 2.357 982 HB3 GLU 35 1HB GLU 35 -19.717 0.165 3.914 983 HG2 GLU 35 2HG GLU 35 -21.264 0.582 1.338 984 HG3 GLU 35 1HG GLU 35 -21.744 -0.498 2.645 985 H LEU 36 H LEU 36 -16.838 0.362 1.678 986 HA LEU 36 HA LEU 36 -15.427 0.383 4.136 987 HB2 LEU 36 2HB LEU 36 -15.050 -1.089 2.042 988 HB3 LEU 36 1HB LEU 36 -14.069 0.247 1.449 989 HG LEU 36 HG LEU 36 -13.619 -1.197 4.101 990 HD11 LEU 36 1HD1 LEU 36 -11.558 -1.413 2.015 991 HD12 LEU 36 2HD1 LEU 36 -13.077 -2.187 1.578 992 HD13 LEU 36 3HD1 LEU 36 -12.248 -2.644 3.065 993 HD21 LEU 36 3HD2 LEU 36 -12.626 0.848 4.461 994 HD22 LEU 36 1HD2 LEU 36 -12.321 1.141 2.757 995 HD23 LEU 36 2HD2 LEU 36 -11.305 0.023 3.655 996 H LEU 37 H LEU 37 -15.103 2.546 1.254 997 HA LEU 37 HA LEU 37 -12.965 4.027 2.396 998 HB2 LEU 37 2HB LEU 37 -14.962 4.750 0.254 999 HB3 LEU 37 1HB LEU 37 -13.723 5.875 0.795 1000 HG LEU 37 HG LEU 37 -13.208 4.402 -1.275 1001 HD11 LEU 37 1HD1 LEU 37 -11.545 5.732 0.125 1002 HD12 LEU 37 2HD1 LEU 37 -10.870 4.354 -0.745 1003 HD13 LEU 37 3HD1 LEU 37 -11.196 4.231 0.984 1004 HD21 LEU 37 3HD2 LEU 37 -12.567 2.384 0.865 1005 HD22 LEU 37 1HD2 LEU 37 -12.437 2.179 -0.876 1006 HD23 LEU 37 2HD2 LEU 37 -14.017 2.309 -0.119 1007 H GLN 38 H GLN 38 -16.490 4.547 2.463 1008 HA GLN 38 HA GLN 38 -16.384 7.009 3.851 1009 HB2 GLN 38 2HB GLN 38 -18.549 4.905 3.735 1010 HB3 GLN 38 1HB GLN 38 -18.753 6.499 4.464 1011 HG2 GLN 38 2HG GLN 38 -18.211 7.577 2.337 1012 HG3 GLN 38 1HG GLN 38 -17.917 6.009 1.591 1013 HE21 GLN 38 1HE2 GLN 38 -19.908 7.767 0.549 1014 HE22 GLN 38 2HE2 GLN 38 -21.435 7.079 0.828 1015 H THR 39 H THR 39 -16.505 3.660 4.995 1016 HA THR 39 HA THR 39 -16.806 4.371 7.746 1017 HB THR 39 HB THR 39 -16.282 2.026 8.202 1018 HG1 THR 39 1HG THR 39 -15.478 2.106 5.503 1019 HG21 THR 39 3HG2 THR 39 -18.490 1.937 7.656 1020 HG22 THR 39 1HG2 THR 39 -17.914 1.142 6.192 1021 HG23 THR 39 2HG2 THR 39 -18.268 2.870 6.177 1022 H GLU 40 H GLU 40 -14.046 3.854 5.622 1023 HA GLU 40 HA GLU 40 -12.233 4.174 7.915 1024 HB2 GLU 40 2HB GLU 40 -11.776 3.239 5.088 1025 HB3 GLU 40 1HB GLU 40 -10.496 3.488 6.262 1026 HG2 GLU 40 2HG GLU 40 -12.826 1.584 6.580 1027 HG3 GLU 40 1HG GLU 40 -11.162 1.125 6.225 1028 H LEU 41 H LEU 41 -12.338 5.419 4.538 1029 HA LEU 41 HA LEU 41 -10.830 7.763 5.491 1030 HB2 LEU 41 2HB LEU 41 -11.455 6.957 2.645 1031 HB3 LEU 41 1HB LEU 41 -10.364 8.235 3.154 1032 HG LEU 41 HG LEU 41 -10.004 5.260 3.628 1033 HD11 LEU 41 1HD1 LEU 41 -8.336 5.354 1.992 1034 HD12 LEU 41 2HD1 LEU 41 -8.109 7.093 2.183 1035 HD13 LEU 41 3HD1 LEU 41 -9.529 6.478 1.342 1036 HD21 LEU 41 3HD2 LEU 41 -8.522 7.668 4.691 1037 HD22 LEU 41 1HD2 LEU 41 -7.661 6.162 4.396 1038 HD23 LEU 41 2HD2 LEU 41 -8.994 6.193 5.545 1039 H SER 42 H SER 42 -11.528 9.836 5.325 1040 HA SER 42 HA SER 42 -14.383 10.153 4.573 1041 HB2 SER 42 2HB SER 42 -13.536 10.569 7.006 1042 HB3 SER 42 1HB SER 42 -12.914 12.078 6.342 1043 HG SER 42 HG SER 42 -15.335 11.825 5.395 1044 H GLY 43 H GLY 43 -11.439 12.149 4.842 1045 HA2 GLY 43 2HA GLY 43 -12.273 14.204 3.161 1046 HA3 GLY 43 1HA GLY 43 -10.602 13.824 3.529 1047 H PHE 44 H PHE 44 -10.498 11.222 2.245 1048 HA PHE 44 HA PHE 44 -9.854 12.074 -0.355 1049 HB2 PHE 44 2HB PHE 44 -10.265 9.319 0.789 1050 HB3 PHE 44 1HB PHE 44 -9.700 9.603 -0.858 1051 HD1 PHE 44 1HD PHE 44 -7.534 10.677 -1.287 1052 HD2 PHE 44 2HD PHE 44 -8.850 9.844 2.714 1053 HE1 PHE 44 1HE PHE 44 -5.231 11.053 -0.450 1054 HE2 PHE 44 2HE PHE 44 -6.548 10.215 3.550 1055 HZ PHE 44 HZ PHE 44 -4.738 10.820 1.968 1056 H LEU 45 H LEU 45 -12.642 10.049 0.660 1057 HA LEU 45 HA LEU 45 -13.780 10.147 -1.981 1058 HB2 LEU 45 2HB LEU 45 -14.504 8.898 0.596 1059 HB3 LEU 45 1HB LEU 45 -15.881 9.383 -0.389 1060 HG LEU 45 HG LEU 45 -15.026 7.031 -0.833 1061 HD11 LEU 45 1HD1 LEU 45 -14.686 8.036 -3.474 1062 HD12 LEU 45 2HD1 LEU 45 -15.781 9.160 -2.654 1063 HD13 LEU 45 3HD1 LEU 45 -16.168 7.437 -2.729 1064 HD21 LEU 45 3HD2 LEU 45 -12.848 8.047 -2.561 1065 HD22 LEU 45 1HD2 LEU 45 -12.885 6.641 -1.504 1066 HD23 LEU 45 2HD2 LEU 45 -12.525 8.227 -0.835 1067 H ASP 46 H ASP 46 -14.304 11.902 0.992 1068 HA ASP 46 HA ASP 46 -16.625 13.248 0.231 1069 HB2 ASP 46 2HB ASP 46 -15.690 13.188 2.546 1070 HB3 ASP 46 1HB ASP 46 -14.438 14.318 2.031 1071 H ALA 47 H ALA 47 -13.289 13.818 -0.584 1072 HA ALA 47 HA ALA 47 -13.342 16.486 -1.324 1073 HB1 ALA 47 1HB ALA 47 -11.287 15.168 -1.204 1074 HB2 ALA 47 2HB ALA 47 -11.433 15.947 -2.779 1075 HB3 ALA 47 3HB ALA 47 -11.793 14.230 -2.609 1076 H GLN 48 H GLN 48 -14.651 13.713 -3.099 1077 HA GLN 48 HA GLN 48 -14.994 15.382 -5.487 1078 HB2 GLN 48 2HB GLN 48 -15.945 12.561 -4.984 1079 HB3 GLN 48 1HB GLN 48 -15.851 13.392 -6.539 1080 HG2 GLN 48 2HG GLN 48 -13.527 12.632 -4.752 1081 HG3 GLN 48 1HG GLN 48 -13.930 11.927 -6.319 1082 HE21 GLN 48 1HE2 GLN 48 -11.773 14.005 -4.985 1083 HE22 GLN 48 2HE2 GLN 48 -11.517 15.053 -6.298 1084 H LYS 49 H LYS 49 -16.705 16.625 -5.738 1085 HA LYS 49 HA LYS 49 -18.849 16.756 -3.937 1086 HB2 LYS 49 2HB LYS 49 -18.066 18.639 -5.331 1087 HB3 LYS 49 1HB LYS 49 -18.734 17.839 -6.752 1088 HG2 LYS 49 2HG LYS 49 -20.982 17.875 -5.691 1089 HG3 LYS 49 1HG LYS 49 -20.297 18.738 -4.313 1090 HD2 LYS 49 2HD LYS 49 -19.540 20.536 -5.891 1091 HD3 LYS 49 1HD LYS 49 -20.401 19.702 -7.185 1092 HE2 LYS 49 2HE LYS 49 -21.624 20.818 -4.644 1093 HE3 LYS 49 1HE LYS 49 -21.829 21.460 -6.274 1094 HZ1 LYS 49 3HZ LYS 49 -22.746 19.216 -6.868 1095 HZ2 LYS 49 1HZ LYS 49 -23.715 20.148 -5.834 1096 HZ3 LYS 49 2HZ LYS 49 -22.789 18.870 -5.205 1097 H ASP 50 H ASP 50 -18.663 15.164 -7.106 1098 HA ASP 50 HA ASP 50 -21.447 14.660 -7.277 1099 HB2 ASP 50 2HB ASP 50 -19.127 13.310 -8.647 1100 HB3 ASP 50 1HB ASP 50 -20.826 13.006 -9.017 1101 H VAL 51 H VAL 51 -22.680 12.914 -6.815 1102 HA VAL 51 HA VAL 51 -21.819 11.188 -4.677 1103 HB VAL 51 HB VAL 51 -24.042 10.336 -4.672 1104 HG11 VAL 51 1HG1 VAL 51 -23.543 12.947 -4.294 1105 HG12 VAL 51 2HG1 VAL 51 -25.163 12.268 -4.149 1106 HG13 VAL 51 3HG1 VAL 51 -24.681 13.085 -5.635 1107 HG21 VAL 51 3HG2 VAL 51 -24.242 11.473 -7.478 1108 HG22 VAL 51 1HG2 VAL 51 -25.633 10.905 -6.558 1109 HG23 VAL 51 2HG2 VAL 51 -24.350 9.781 -6.998 1110 H ASP 52 H ASP 52 -22.074 11.040 -8.127 1111 HA ASP 52 HA ASP 52 -21.775 8.162 -8.309 1112 HB2 ASP 52 2HB ASP 52 -21.676 10.361 -10.389 1113 HB3 ASP 52 1HB ASP 52 -21.543 8.642 -10.757 1114 H ALA 53 H ALA 53 -19.808 10.493 -7.312 1115 HA ALA 53 HA ALA 53 -17.447 10.326 -8.780 1116 HB1 ALA 53 1HB ALA 53 -17.811 10.613 -5.794 1117 HB2 ALA 53 2HB ALA 53 -17.781 11.932 -6.968 1118 HB3 ALA 53 3HB ALA 53 -16.330 10.960 -6.689 1119 H VAL 54 H VAL 54 -18.789 8.183 -6.297 1120 HA VAL 54 HA VAL 54 -16.519 6.537 -5.958 1121 HB VAL 54 HB VAL 54 -18.674 6.552 -4.583 1122 HG11 VAL 54 1HG1 VAL 54 -20.536 5.264 -5.358 1123 HG12 VAL 54 2HG1 VAL 54 -19.615 4.620 -6.715 1124 HG13 VAL 54 3HG1 VAL 54 -20.097 6.315 -6.702 1125 HG21 VAL 54 3HG2 VAL 54 -17.193 4.131 -5.550 1126 HG22 VAL 54 1HG2 VAL 54 -18.600 3.890 -4.512 1127 HG23 VAL 54 2HG2 VAL 54 -17.235 4.846 -3.937 1128 H ASP 55 H ASP 55 -19.235 6.452 -8.238 1129 HA ASP 55 HA ASP 55 -18.585 4.042 -9.529 1130 HB2 ASP 55 2HB ASP 55 -20.724 5.326 -9.815 1131 HB3 ASP 55 1HB ASP 55 -19.833 6.488 -10.796 1132 H LYS 56 H LYS 56 -17.625 7.394 -10.070 1133 HA LYS 56 HA LYS 56 -16.023 6.938 -12.367 1134 HB2 LYS 56 2HB LYS 56 -15.687 9.061 -10.233 1135 HB3 LYS 56 1HB LYS 56 -15.019 9.109 -11.861 1136 HG2 LYS 56 2HG LYS 56 -17.982 9.019 -11.214 1137 HG3 LYS 56 1HG LYS 56 -17.093 10.478 -11.638 1138 HD2 LYS 56 2HD LYS 56 -16.449 9.327 -13.810 1139 HD3 LYS 56 1HD LYS 56 -17.602 8.059 -13.391 1140 HE2 LYS 56 2HE LYS 56 -18.787 9.601 -14.781 1141 HE3 LYS 56 1HE LYS 56 -19.351 9.874 -13.133 1142 HZ1 LYS 56 3HZ LYS 56 -18.030 11.785 -12.934 1143 HZ2 LYS 56 1HZ LYS 56 -18.754 11.911 -14.462 1144 HZ3 LYS 56 2HZ LYS 56 -17.132 11.425 -14.330 1145 H VAL 57 H VAL 57 -15.361 6.781 -8.906 1146 HA VAL 57 HA VAL 57 -12.559 6.551 -9.063 1147 HB VAL 57 HB VAL 57 -14.524 5.559 -6.992 1148 HG11 VAL 57 1HG1 VAL 57 -12.412 5.511 -5.541 1149 HG12 VAL 57 2HG1 VAL 57 -11.500 5.548 -7.051 1150 HG13 VAL 57 3HG1 VAL 57 -12.585 4.201 -6.709 1151 HG21 VAL 57 3HG2 VAL 57 -14.123 7.565 -5.873 1152 HG22 VAL 57 1HG2 VAL 57 -14.027 8.102 -7.551 1153 HG23 VAL 57 2HG2 VAL 57 -12.550 7.796 -6.640 1154 H MET 58 H MET 58 -15.093 4.010 -8.972 1155 HA MET 58 HA MET 58 -13.195 1.903 -8.945 1156 HB2 MET 58 2HB MET 58 -14.961 0.365 -9.459 1157 HB3 MET 58 1HB MET 58 -15.518 1.521 -8.257 1158 HG2 MET 58 2HG MET 58 -17.086 2.396 -9.654 1159 HG3 MET 58 1HG MET 58 -16.056 2.278 -11.068 1160 HE1 MET 58 3HE MET 58 -18.341 -1.179 -9.120 1161 HE2 MET 58 1HE MET 58 -17.733 0.294 -8.353 1162 HE3 MET 58 2HE MET 58 -16.628 -1.014 -8.777 1163 H LYS 59 H LYS 59 -14.535 3.692 -11.682 1164 HA LYS 59 HA LYS 59 -14.022 1.820 -13.695 1165 HB2 LYS 59 2HB LYS 59 -13.835 4.808 -13.826 1166 HB3 LYS 59 1HB LYS 59 -13.888 3.710 -15.208 1167 HG2 LYS 59 2HG LYS 59 -16.032 2.818 -13.672 1168 HG3 LYS 59 1HG LYS 59 -16.065 4.559 -13.395 1169 HD2 LYS 59 2HD LYS 59 -15.887 3.251 -16.081 1170 HD3 LYS 59 1HD LYS 59 -17.400 3.836 -15.375 1171 HE2 LYS 59 2HE LYS 59 -14.963 5.570 -15.923 1172 HE3 LYS 59 1HE LYS 59 -16.405 5.511 -16.936 1173 HZ1 LYS 59 3HZ LYS 59 -17.437 5.927 -14.487 1174 HZ2 LYS 59 1HZ LYS 59 -17.121 7.148 -15.620 1175 HZ3 LYS 59 2HZ LYS 59 -15.990 6.811 -14.397 1176 H GLU 60 H GLU 60 -11.805 4.239 -12.275 1177 HA GLU 60 HA GLU 60 -9.638 3.653 -14.029 1178 HB2 GLU 60 2HB GLU 60 -9.800 5.716 -12.645 1179 HB3 GLU 60 1HB GLU 60 -9.526 4.738 -11.206 1180 HG2 GLU 60 2HG GLU 60 -7.368 3.967 -12.179 1181 HG3 GLU 60 1HG GLU 60 -7.630 5.042 -13.549 1182 H LEU 61 H LEU 61 -10.642 2.453 -10.898 1183 HA LEU 61 HA LEU 61 -8.368 0.849 -10.391 1184 HB2 LEU 61 2HB LEU 61 -11.162 0.538 -9.290 1185 HB3 LEU 61 1HB LEU 61 -9.707 -0.193 -8.627 1186 HG LEU 61 HG LEU 61 -10.331 2.772 -8.764 1187 HD11 LEU 61 1HD1 LEU 61 -9.734 1.268 -6.253 1188 HD12 LEU 61 2HD1 LEU 61 -11.322 1.050 -6.988 1189 HD13 LEU 61 3HD1 LEU 61 -10.790 2.657 -6.509 1190 HD21 LEU 61 3HD2 LEU 61 -7.991 2.755 -9.008 1191 HD22 LEU 61 1HD2 LEU 61 -7.812 1.268 -8.065 1192 HD23 LEU 61 2HD2 LEU 61 -8.189 2.782 -7.270 1193 H ASP 62 H ASP 62 -11.372 0.174 -12.072 1194 HA ASP 62 HA ASP 62 -10.924 -2.647 -11.993 1195 HB2 ASP 62 2HB ASP 62 -13.164 -1.638 -12.219 1196 HB3 ASP 62 1HB ASP 62 -12.722 -1.086 -13.836 1197 H GLU 63 H GLU 63 -9.031 -3.268 -12.890 1198 HA GLU 63 HA GLU 63 -7.968 -2.366 -15.380 1199 HB2 GLU 63 2HB GLU 63 -6.575 -3.441 -13.716 1200 HB3 GLU 63 1HB GLU 63 -7.607 -4.876 -13.732 1201 HG2 GLU 63 2HG GLU 63 -7.045 -5.287 -16.065 1202 HG3 GLU 63 1HG GLU 63 -5.983 -3.859 -16.086 1203 H ASN 64 H ASN 64 -9.710 -5.136 -14.320 1204 HA ASN 64 HA ASN 64 -9.879 -6.674 -16.605 1205 HB2 ASN 64 2HB ASN 64 -11.690 -6.260 -14.290 1206 HB3 ASN 64 1HB ASN 64 -11.795 -7.661 -15.353 1207 HD21 ASN 64 1HD2 ASN 64 -9.134 -8.408 -15.619 1208 HD22 ASN 64 2HD2 ASN 64 -8.451 -8.732 -14.099 1209 H GLY 65 H GLY 65 -11.940 -4.014 -15.517 1210 HA2 GLY 65 2HA GLY 65 -13.340 -2.695 -16.909 1211 HA3 GLY 65 1HA GLY 65 -13.275 -3.963 -18.139 1212 H ASP 66 H ASP 66 -13.571 -5.442 -15.263 1213 HA ASP 66 HA ASP 66 -16.150 -6.463 -15.651 1214 HB2 ASP 66 2HB ASP 66 -15.786 -7.519 -13.456 1215 HB3 ASP 66 1HB ASP 66 -14.356 -7.656 -14.476 1216 H GLY 67 H GLY 67 -15.007 -3.762 -13.709 1217 HA2 GLY 67 2HA GLY 67 -16.373 -1.926 -13.064 1218 HA3 GLY 67 1HA GLY 67 -17.790 -2.968 -13.211 1219 H GLU 68 H GLU 68 -15.572 -4.834 -11.813 1220 HA GLU 68 HA GLU 68 -16.374 -4.122 -9.048 1221 HB2 GLU 68 2HB GLU 68 -17.305 -6.255 -10.037 1222 HB3 GLU 68 1HB GLU 68 -15.652 -6.857 -10.109 1223 HG2 GLU 68 2HG GLU 68 -15.430 -6.520 -7.680 1224 HG3 GLU 68 1HG GLU 68 -17.085 -5.939 -7.609 1225 H VAL 69 H VAL 69 -14.800 -4.050 -7.497 1226 HA VAL 69 HA VAL 69 -12.096 -3.726 -8.557 1227 HB VAL 69 HB VAL 69 -13.283 -2.947 -5.899 1228 HG11 VAL 69 1HG1 VAL 69 -10.797 -3.212 -5.923 1229 HG12 VAL 69 2HG1 VAL 69 -11.331 -1.563 -5.611 1230 HG13 VAL 69 3HG1 VAL 69 -10.736 -2.005 -7.210 1231 HG21 VAL 69 3HG2 VAL 69 -12.817 -1.388 -8.436 1232 HG22 VAL 69 1HG2 VAL 69 -13.258 -0.669 -6.886 1233 HG23 VAL 69 2HG2 VAL 69 -14.373 -1.771 -7.692 1234 H ASP 70 H ASP 70 -10.377 -4.955 -8.003 1235 HA ASP 70 HA ASP 70 -10.866 -7.240 -6.221 1236 HB2 ASP 70 2HB ASP 70 -10.065 -7.644 -8.560 1237 HB3 ASP 70 1HB ASP 70 -8.563 -6.830 -8.128 1238 H PHE 71 H PHE 71 -9.199 -7.933 -4.771 1239 HA PHE 71 HA PHE 71 -8.422 -6.075 -2.881 1240 HB2 PHE 71 2HB PHE 71 -8.453 -8.650 -2.827 1241 HB3 PHE 71 1HB PHE 71 -6.861 -8.574 -3.558 1242 HD1 PHE 71 1HD PHE 71 -6.574 -5.773 -1.620 1243 HD2 PHE 71 2HD PHE 71 -7.160 -9.995 -1.116 1244 HE1 PHE 71 1HE PHE 71 -5.550 -5.645 0.629 1245 HE2 PHE 71 2HE PHE 71 -6.148 -9.849 1.131 1246 HZ PHE 71 HZ PHE 71 -5.351 -7.682 1.995 1247 H GLN 72 H GLN 72 -6.506 -7.339 -5.641 1248 HA GLN 72 HA GLN 72 -4.128 -5.918 -5.020 1249 HB2 GLN 72 2HB GLN 72 -5.222 -6.855 -7.690 1250 HB3 GLN 72 1HB GLN 72 -3.586 -6.245 -7.438 1251 HG2 GLN 72 2HG GLN 72 -3.155 -8.026 -5.812 1252 HG3 GLN 72 1HG GLN 72 -4.789 -8.631 -5.995 1253 HE21 GLN 72 1HE2 GLN 72 -2.610 -10.319 -6.510 1254 HE22 GLN 72 2HE2 GLN 72 -2.532 -10.634 -8.172 1255 H GLU 73 H GLU 73 -6.996 -5.035 -6.942 1256 HA GLU 73 HA GLU 73 -6.014 -2.570 -7.930 1257 HB2 GLU 73 2HB GLU 73 -8.824 -3.501 -7.355 1258 HB3 GLU 73 1HB GLU 73 -8.434 -2.054 -8.276 1259 HG2 GLU 73 2HG GLU 73 -7.196 -3.492 -9.907 1260 HG3 GLU 73 1HG GLU 73 -7.706 -4.914 -8.999 1261 H TYR 74 H TYR 74 -7.854 -3.474 -5.061 1262 HA TYR 74 HA TYR 74 -8.294 -0.901 -3.961 1263 HB2 TYR 74 2HB TYR 74 -9.477 -2.989 -3.287 1264 HB3 TYR 74 1HB TYR 74 -7.990 -3.565 -2.544 1265 HD1 TYR 74 2HD TYR 74 -7.105 -2.520 -0.508 1266 HD2 TYR 74 1HD TYR 74 -10.757 -1.172 -2.322 1267 HE1 TYR 74 2HE TYR 74 -7.669 -1.265 1.556 1268 HE2 TYR 74 1HE TYR 74 -11.319 0.071 -0.255 1269 HH TYR 74 HH TYR 74 -10.372 0.946 1.667 1270 H VAL 75 H VAL 75 -5.792 -3.285 -3.634 1271 HA VAL 75 HA VAL 75 -4.288 -2.090 -1.591 1272 HB VAL 75 HB VAL 75 -4.064 -4.459 -3.167 1273 HG11 VAL 75 1HG1 VAL 75 -1.613 -4.527 -3.606 1274 HG12 VAL 75 2HG1 VAL 75 -1.567 -2.789 -3.385 1275 HG13 VAL 75 3HG1 VAL 75 -2.502 -3.474 -4.699 1276 HG21 VAL 75 3HG2 VAL 75 -2.189 -4.956 -1.507 1277 HG22 VAL 75 1HG2 VAL 75 -3.776 -4.586 -0.831 1278 HG23 VAL 75 2HG2 VAL 75 -2.501 -3.360 -0.833 1279 H VAL 76 H VAL 76 -3.944 -1.815 -5.160 1280 HA VAL 76 HA VAL 76 -1.778 0.032 -4.844 1281 HB VAL 76 HB VAL 76 -1.996 0.551 -7.187 1282 HG11 VAL 76 1HG1 VAL 76 -2.694 -2.374 -6.984 1283 HG12 VAL 76 2HG1 VAL 76 -1.179 -1.763 -6.317 1284 HG13 VAL 76 3HG1 VAL 76 -1.520 -1.589 -8.039 1285 HG21 VAL 76 3HG2 VAL 76 -4.544 -1.061 -7.185 1286 HG22 VAL 76 1HG2 VAL 76 -3.850 -0.188 -8.540 1287 HG23 VAL 76 2HG2 VAL 76 -4.521 0.695 -7.170 1288 H LEU 77 H LEU 77 -5.329 0.392 -4.967 1289 HA LEU 77 HA LEU 77 -5.382 3.186 -5.276 1290 HB2 LEU 77 2HB LEU 77 -7.445 1.906 -5.296 1291 HB3 LEU 77 1HB LEU 77 -7.185 1.384 -3.643 1292 HG LEU 77 HG LEU 77 -7.335 3.839 -2.952 1293 HD11 LEU 77 1HD1 LEU 77 -7.131 4.523 -5.559 1294 HD12 LEU 77 2HD1 LEU 77 -7.967 5.513 -4.375 1295 HD13 LEU 77 3HD1 LEU 77 -8.881 4.443 -5.419 1296 HD21 LEU 77 3HD2 LEU 77 -9.761 2.609 -4.274 1297 HD22 LEU 77 1HD2 LEU 77 -9.776 3.818 -2.990 1298 HD23 LEU 77 2HD2 LEU 77 -9.155 2.199 -2.671 1299 H VAL 78 H VAL 78 -5.260 1.338 -2.184 1300 HA VAL 78 HA VAL 78 -5.039 3.752 -0.677 1301 HB VAL 78 HB VAL 78 -4.377 2.400 1.250 1302 HG11 VAL 78 1HG1 VAL 78 -6.661 2.479 1.124 1303 HG12 VAL 78 2HG1 VAL 78 -6.418 0.735 1.015 1304 HG13 VAL 78 3HG1 VAL 78 -6.721 1.676 -0.447 1305 HG21 VAL 78 3HG2 VAL 78 -4.130 -0.004 1.118 1306 HG22 VAL 78 1HG2 VAL 78 -2.982 0.725 0.004 1307 HG23 VAL 78 2HG2 VAL 78 -4.468 -0.004 -0.607 1308 H ALA 79 H ALA 79 -2.593 1.585 -2.062 1309 HA ALA 79 HA ALA 79 -0.423 2.823 -0.647 1310 HB1 ALA 79 1HB ALA 79 0.928 1.395 -1.774 1311 HB2 ALA 79 2HB ALA 79 0.096 1.626 -3.316 1312 HB3 ALA 79 3HB ALA 79 -0.598 0.585 -2.084 1313 H ALA 80 H ALA 80 -1.632 3.279 -3.968 1314 HA ALA 80 HA ALA 80 0.218 5.289 -4.671 1315 HB1 ALA 80 1HB ALA 80 -1.544 5.879 -6.413 1316 HB2 ALA 80 2HB ALA 80 -2.534 4.599 -5.711 1317 HB3 ALA 80 3HB ALA 80 -0.968 4.210 -6.431 1318 H LEU 81 H LEU 81 -3.007 5.363 -3.154 1319 HA LEU 81 HA LEU 81 -3.131 8.209 -3.097 1320 HB2 LEU 81 2HB LEU 81 -4.629 6.031 -1.724 1321 HB3 LEU 81 1HB LEU 81 -4.703 7.651 -1.037 1322 HG LEU 81 HG LEU 81 -5.449 8.562 -3.209 1323 HD11 LEU 81 1HD1 LEU 81 -4.288 6.696 -4.565 1324 HD12 LEU 81 2HD1 LEU 81 -5.846 7.272 -5.135 1325 HD13 LEU 81 3HD1 LEU 81 -5.740 5.758 -4.257 1326 HD21 LEU 81 3HD2 LEU 81 -7.111 6.174 -2.328 1327 HD22 LEU 81 1HD2 LEU 81 -7.690 7.530 -3.292 1328 HD23 LEU 81 2HD2 LEU 81 -7.179 7.793 -1.628 1329 H THR 82 H THR 82 -1.653 5.784 -0.971 1330 HA THR 82 HA THR 82 -1.160 7.524 1.212 1331 HB THR 82 HB THR 82 0.550 5.210 0.278 1332 HG1 THR 82 1HG THR 82 -0.904 3.940 1.122 1333 HG21 THR 82 3HG2 THR 82 0.386 6.867 2.754 1334 HG22 THR 82 1HG2 THR 82 1.792 6.137 1.980 1335 HG23 THR 82 2HG2 THR 82 0.695 5.142 2.938 1336 H VAL 83 H VAL 83 0.953 6.652 -1.559 1337 HA VAL 83 HA VAL 83 3.021 8.459 -0.752 1338 HB VAL 83 HB VAL 83 3.496 6.647 -2.359 1339 HG11 VAL 83 1HG1 VAL 83 2.790 6.705 -4.621 1340 HG12 VAL 83 2HG1 VAL 83 2.163 8.344 -4.473 1341 HG13 VAL 83 3HG1 VAL 83 1.344 7.004 -3.693 1342 HG21 VAL 83 3HG2 VAL 83 4.050 9.203 -3.830 1343 HG22 VAL 83 1HG2 VAL 83 5.136 7.856 -3.477 1344 HG23 VAL 83 2HG2 VAL 83 4.703 8.995 -2.203 1345 H ALA 84 H ALA 84 0.197 8.862 -2.847 1346 HA ALA 84 HA ALA 84 0.854 11.476 -3.743 1347 HB1 ALA 84 1HB ALA 84 -1.329 11.567 -4.602 1348 HB2 ALA 84 2HB ALA 84 -1.955 10.466 -3.373 1349 HB3 ALA 84 3HB ALA 84 -0.919 9.852 -4.664 1350 H CYS 85 H CHC 85 -0.611 10.175 -0.873 1351 HA CYS 85 HA CHC 85 -1.745 12.582 0.118 1352 HB2 CYS 85 2HB CHC 85 -2.393 10.331 0.938 1353 HB3 CYS 85 1HB CHC 85 -0.791 10.149 1.652 1354 H ASN 86 H ASN 86 1.284 10.829 0.956 1355 HA ASN 86 HA ASN 86 2.260 12.831 2.682 1356 HB2 ASN 86 2HB ASN 86 3.260 10.520 2.286 1357 HB3 ASN 86 1HB ASN 86 3.999 11.194 0.835 1358 HD21 ASN 86 1HD2 ASN 86 6.047 12.067 1.167 1359 HD22 ASN 86 2HD2 ASN 86 6.630 12.641 2.654 1360 H ASN 87 H ASN 87 2.487 12.423 -0.833 1361 HA ASN 87 HA ASN 87 4.165 14.627 -1.394 1362 HB2 ASN 87 2HB ASN 87 1.941 13.382 -3.028 1363 HB3 ASN 87 1HB ASN 87 3.108 14.542 -3.654 1364 HD21 ASN 87 1HD2 ASN 87 2.945 11.896 -4.727 1365 HD22 ASN 87 2HD2 ASN 87 4.365 11.063 -4.317 1366 H PHE 88 H PHE 88 0.684 14.360 -0.906 1367 HA PHE 88 HA PHE 88 0.051 17.024 -1.648 1368 HB2 PHE 88 2HB PHE 88 -1.361 14.919 -0.035 1369 HB3 PHE 88 1HB PHE 88 -2.008 16.551 -0.143 1370 HD1 PHE 88 1HD PHE 88 -0.109 15.178 -3.004 1371 HD2 PHE 88 2HD PHE 88 -4.017 15.717 -1.289 1372 HE1 PHE 88 1HE PHE 88 -1.141 14.648 -5.184 1373 HE2 PHE 88 2HE PHE 88 -5.043 15.184 -3.479 1374 HZ PHE 88 HZ PHE 88 -3.606 14.650 -5.427 1375 H PHE 89 H PHE 89 0.875 15.511 1.462 1376 HA PHE 89 HA PHE 89 0.354 17.794 3.047 1377 HB2 PHE 89 2HB PHE 89 0.640 15.501 3.949 1378 HB3 PHE 89 1HB PHE 89 2.360 15.592 3.567 1379 HD1 PHE 89 1HD PHE 89 -0.349 17.018 5.653 1380 HD2 PHE 89 2HD PHE 89 3.876 16.913 4.892 1381 HE1 PHE 89 1HE PHE 89 0.065 18.208 7.789 1382 HE2 PHE 89 2HE PHE 89 4.291 18.103 7.027 1383 HZ PHE 89 HZ PHE 89 2.385 18.750 8.477 1384 H TRP 90 H TRP 90 3.455 16.557 1.728 1385 HA TRP 90 HA TRP 90 4.971 18.794 2.628 1386 HB2 TRP 90 2HB TRP 90 6.049 16.670 2.095 1387 HB3 TRP 90 1HB TRP 90 5.605 16.879 0.394 1388 HD1 TRP 90 HD TRP 90 6.524 19.064 -0.817 1389 HE1 TRP 90 1HE TRP 90 8.742 20.343 -0.538 1390 HE3 TRP 90 3HE TRP 90 7.916 17.344 3.767 1391 HZ2 TRP 90 2HZ TRP 90 10.835 20.601 1.403 1392 HZ3 TRP 90 3HZ TRP 90 10.021 18.125 4.818 1393 HH2 TRP 90 HH TRP 90 11.480 19.752 3.642 1394 H GLU 91 H GLU 91 3.356 18.052 -0.375 1395 HA GLU 91 HA GLU 91 4.206 20.637 -1.487 1396 HB2 GLU 91 2HB GLU 91 4.388 18.215 -2.549 1397 HB3 GLU 91 1HB GLU 91 2.734 18.556 -3.047 1398 HG2 GLU 91 2HG GLU 91 5.057 20.444 -3.564 1399 HG3 GLU 91 1HG GLU 91 4.489 19.252 -4.731 1400 H ASN 92 H ASN 92 2.787 22.209 -2.064 1401 HA ASN 92 HA ASN 92 -0.039 21.798 -1.303 1402 HB2 ASN 92 2HB ASN 92 1.535 24.362 -1.643 1403 HB3 ASN 92 1HB ASN 92 -0.152 24.251 -1.144 1404 HD21 ASN 92 1HD2 ASN 92 -0.012 22.055 0.649 1405 HD22 ASN 92 2HD2 ASN 92 0.962 22.487 1.970 1406 H SER 93 H SER 93 -1.652 22.094 -2.758 1407 HA SER 93 HA SER 93 -1.134 23.358 -5.326 1408 HB2 SER 93 2HB SER 93 -0.495 20.816 -5.383 1409 HB3 SER 93 1HB SER 93 -2.238 20.571 -5.425 1410 HG SER 93 HG SER 93 -2.277 21.308 -7.398 1411 H1 HCS 201 1HT CHC 85 5.674 -12.142 9.435 1412 H2 HCS 201 2HT CHC 85 4.105 -11.502 9.554 1413 H HCS 201 3HT CHC 85 5.136 -11.006 8.299 1414 HCA HCS 201 HH CHC 85 3.550 -13.434 8.561 1415 HB2 HCS 201 1HZ CHC 85 4.591 -12.095 6.068 1416 HB3 HCS 201 2HZ CHC 85 3.225 -11.422 6.959 1417 HG2 HCS 201 1HE CHC 85 1.928 -13.410 6.640 1418 HG3 HCS 201 2HE CHC 85 3.328 -14.311 6.059 1419 H1 HCS 201 1HT CHC 85 -7.705 13.054 6.237 1420 H2 HCS 201 2HT CHC 85 -6.227 12.453 6.821 1421 H HCS 201 3HT CHC 85 -6.913 11.803 5.409 1422 HCA HCS 201 HH CHC 85 -5.410 14.268 5.789 1423 HB2 HCS 201 1HZ CHC 85 -5.804 12.638 3.283 1424 HB3 HCS 201 2HZ CHC 85 -4.719 12.092 4.562 1425 HG2 HCS 201 1HE CHC 85 -3.354 14.050 4.357 1426 HG3 HCS 201 2HE CHC 85 -4.548 14.858 3.341 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.617 5.073 14.582 2 HA2 GLY 1 2HA GLY 1 -12.420 3.170 12.468 3 HA3 GLY 1 1HA GLY 1 -13.062 4.810 12.459 4 H SER 2 H SER 2 -12.074 5.088 10.376 5 HA SER 2 HA SER 2 -10.307 5.460 8.899 6 HB2 SER 2 2HB SER 2 -9.726 7.256 11.254 7 HB3 SER 2 1HB SER 2 -8.952 7.414 9.680 8 HG SER 2 HG SER 2 -11.542 7.207 9.254 9 H GLU 3 H GLU 3 -9.817 3.247 10.881 10 HA GLU 3 HA GLU 3 -7.164 3.316 11.786 11 HB2 GLU 3 2HB GLU 3 -8.924 1.614 12.393 12 HB3 GLU 3 1HB GLU 3 -8.637 0.862 10.824 13 HG2 GLU 3 2HG GLU 3 -7.259 -0.299 12.415 14 HG3 GLU 3 1HG GLU 3 -6.193 0.722 11.456 15 H LEU 4 H LEU 4 -8.552 2.479 8.644 16 HA LEU 4 HA LEU 4 -6.238 1.399 7.419 17 HB2 LEU 4 2HB LEU 4 -8.676 1.561 6.523 18 HB3 LEU 4 1HB LEU 4 -8.233 3.189 6.028 19 HG LEU 4 HG LEU 4 -6.754 0.673 5.207 20 HD11 LEU 4 1HD1 LEU 4 -7.929 0.609 3.216 21 HD12 LEU 4 2HD1 LEU 4 -8.373 2.313 3.289 22 HD13 LEU 4 3HD1 LEU 4 -9.197 1.144 4.319 23 HD21 LEU 4 3HD2 LEU 4 -6.034 2.443 3.352 24 HD22 LEU 4 1HD2 LEU 4 -5.162 2.255 4.866 25 HD23 LEU 4 2HD2 LEU 4 -6.322 3.573 4.671 26 H GLU 5 H GLU 5 -7.478 4.661 7.891 27 HA GLU 5 HA GLU 5 -5.559 6.099 6.406 28 HB2 GLU 5 2HB GLU 5 -7.821 6.812 7.614 29 HB3 GLU 5 1HB GLU 5 -6.725 7.220 8.932 30 HG2 GLU 5 2HG GLU 5 -6.378 8.210 6.087 31 HG3 GLU 5 1HG GLU 5 -7.196 9.121 7.350 32 H THR 6 H THR 6 -5.675 4.950 9.752 33 HA THR 6 HA THR 6 -3.318 6.198 10.668 34 HB THR 6 HB THR 6 -4.421 3.511 11.533 35 HG1 THR 6 1HG THR 6 -5.681 4.663 12.918 36 HG21 THR 6 3HG2 THR 6 -3.333 4.133 13.684 37 HG22 THR 6 1HG2 THR 6 -2.664 5.565 12.902 38 HG23 THR 6 2HG2 THR 6 -2.172 3.959 12.367 39 H ALA 7 H ALA 7 -3.943 3.126 9.017 40 HA ALA 7 HA ALA 7 -1.279 2.158 9.125 41 HB1 ALA 7 1HB ALA 7 -3.074 0.661 8.524 42 HB2 ALA 7 2HB ALA 7 -1.960 0.761 7.162 43 HB3 ALA 7 3HB ALA 7 -3.486 1.643 7.121 44 H MET 8 H MET 8 -2.995 4.234 6.804 45 HA MET 8 HA MET 8 -0.940 4.395 4.848 46 HB2 MET 8 2HB MET 8 -3.024 6.425 5.732 47 HB3 MET 8 1HB MET 8 -2.029 6.600 4.288 48 HG2 MET 8 2HG MET 8 -2.932 4.481 3.404 49 HG3 MET 8 1HG MET 8 -3.924 4.303 4.833 50 HE1 MET 8 3HE MET 8 -3.189 7.584 2.515 51 HE2 MET 8 1HE MET 8 -4.408 7.130 1.320 52 HE3 MET 8 2HE MET 8 -3.094 6.024 1.699 53 H GLU 9 H GLU 9 -1.605 6.194 7.810 54 HA GLU 9 HA GLU 9 0.544 8.033 7.597 55 HB2 GLU 9 2HB GLU 9 -0.921 6.974 10.027 56 HB3 GLU 9 1HB GLU 9 0.236 8.305 10.062 57 HG2 GLU 9 2HG GLU 9 -1.161 9.538 8.423 58 HG3 GLU 9 1HG GLU 9 -2.335 8.226 8.458 59 H THR 10 H THR 10 0.256 4.738 8.855 60 HA THR 10 HA THR 10 2.757 4.663 10.166 61 HB THR 10 HB THR 10 1.252 2.402 8.849 62 HG1 THR 10 1HG THR 10 1.229 3.002 11.582 63 HG21 THR 10 3HG2 THR 10 3.575 1.845 9.357 64 HG22 THR 10 1HG2 THR 10 2.494 1.022 10.480 65 HG23 THR 10 2HG2 THR 10 3.377 2.459 10.998 66 H LEU 11 H LEU 11 1.771 3.820 6.839 67 HA LEU 11 HA LEU 11 4.318 2.879 6.037 68 HB2 LEU 11 2HB LEU 11 2.289 4.305 4.295 69 HB3 LEU 11 1HB LEU 11 3.548 3.201 3.754 70 HG LEU 11 HG LEU 11 1.105 2.525 5.406 71 HD11 LEU 11 1HD1 LEU 11 0.510 2.642 3.127 72 HD12 LEU 11 2HD1 LEU 11 0.798 0.928 3.420 73 HD13 LEU 11 3HD1 LEU 11 2.024 1.901 2.608 74 HD21 LEU 11 3HD2 LEU 11 3.589 0.925 4.823 75 HD22 LEU 11 1HD2 LEU 11 2.032 0.122 5.022 76 HD23 LEU 11 2HD2 LEU 11 2.691 1.084 6.343 77 H ILE 12 H ILE 12 2.783 6.067 6.009 78 HA ILE 12 HA ILE 12 4.934 7.421 4.743 79 HB ILE 12 HB ILE 12 2.883 8.454 6.707 80 HG12 ILE 12 2HG1 ILE 12 3.016 8.713 3.693 81 HG13 ILE 12 1HG1 ILE 12 2.075 7.475 4.503 82 HG21 ILE 12 1HG2 ILE 12 4.748 9.975 6.688 83 HG22 ILE 12 2HG2 ILE 12 3.490 10.675 5.668 84 HG23 ILE 12 3HG2 ILE 12 4.881 9.876 4.931 85 HD11 ILE 12 3HD1 ILE 12 0.898 9.700 3.826 86 HD12 ILE 12 1HD1 ILE 12 1.735 10.378 5.223 87 HD13 ILE 12 2HD1 ILE 12 0.594 9.050 5.439 88 H ASN 13 H ASN 13 4.243 6.859 8.182 89 HA ASN 13 HA ASN 13 6.385 8.350 9.210 90 HB2 ASN 13 2HB ASN 13 4.936 5.960 10.339 91 HB3 ASN 13 1HB ASN 13 6.062 6.961 11.254 92 HD21 ASN 13 1HD2 ASN 13 3.307 6.766 12.009 93 HD22 ASN 13 2HD2 ASN 13 2.575 8.275 11.745 94 H VAL 14 H VAL 14 6.273 4.876 8.310 95 HA VAL 14 HA VAL 14 8.954 4.482 9.271 96 HB VAL 14 HB VAL 14 8.875 2.255 8.346 97 HG11 VAL 14 1HG1 VAL 14 6.063 2.624 9.305 98 HG12 VAL 14 2HG1 VAL 14 7.389 3.068 10.380 99 HG13 VAL 14 3HG1 VAL 14 7.262 1.415 9.774 100 HG21 VAL 14 3HG2 VAL 14 6.414 3.223 6.868 101 HG22 VAL 14 1HG2 VAL 14 6.758 1.526 7.134 102 HG23 VAL 14 2HG2 VAL 14 7.873 2.509 6.193 103 H PHE 15 H PHE 15 7.566 5.075 6.025 104 HA PHE 15 HA PHE 15 10.007 4.747 4.624 105 HB2 PHE 15 2HB PHE 15 7.856 4.899 3.455 106 HB3 PHE 15 1HB PHE 15 7.673 6.574 3.988 107 HD1 PHE 15 1HD PHE 15 10.040 4.323 2.153 108 HD2 PHE 15 2HD PHE 15 8.569 8.313 2.730 109 HE1 PHE 15 1HE PHE 15 11.427 5.118 0.264 110 HE2 PHE 15 2HE PHE 15 9.948 9.099 0.832 111 HZ PHE 15 HZ PHE 15 11.382 7.500 -0.405 112 H HIS 16 H HIS 16 8.444 7.544 6.087 113 HA HIS 16 HA HIS 16 10.499 9.397 5.501 114 HB2 HIS 16 2HB HIS 16 8.201 10.074 6.166 115 HB3 HIS 16 1HB HIS 16 8.503 9.428 7.779 116 HD1 HIS 16 1HD HIS 16 10.175 11.921 5.409 117 HD2 HIS 16 2HD HIS 16 9.497 11.345 9.481 118 HE1 HIS 16 1HE HIS 16 11.131 13.946 6.590 119 HE2 HIS 16 2HE HIS 16 10.728 13.610 9.073 120 H ALA 17 H ALA 17 9.973 7.128 8.116 121 HA ALA 17 HA ALA 17 11.882 8.151 9.872 122 HB1 ALA 17 1HB ALA 17 12.002 5.909 10.804 123 HB2 ALA 17 2HB ALA 17 11.332 5.209 9.327 124 HB3 ALA 17 3HB ALA 17 10.329 6.236 10.362 125 H HIS 18 H HIS 18 12.267 5.682 7.284 126 HA HIS 18 HA HIS 18 15.154 5.791 7.717 127 HB2 HIS 18 2HB HIS 18 13.416 4.238 5.844 128 HB3 HIS 18 1HB HIS 18 15.171 4.253 5.657 129 HD1 HIS 18 1HD HIS 18 16.406 2.605 7.080 130 HD2 HIS 18 2HD HIS 18 12.696 3.552 8.709 131 HE1 HIS 18 1HE HIS 18 16.183 1.259 9.214 132 HE2 HIS 18 2HE HIS 18 13.933 1.830 10.219 133 H SER 19 H SER 19 13.117 6.768 4.884 134 HA SER 19 HA SER 19 15.281 7.710 3.383 135 HB2 SER 19 2HB SER 19 12.972 7.446 2.488 136 HB3 SER 19 1HB SER 19 12.495 8.876 3.386 137 HG SER 19 HG SER 19 14.765 9.131 1.784 138 H GLY 20 H GLY 20 13.289 9.272 5.854 139 HA2 GLY 20 2HA GLY 20 14.517 11.865 5.742 140 HA3 GLY 20 1HA GLY 20 13.483 11.253 7.011 141 H LYS 21 H LYS 21 14.968 9.020 7.846 142 HA LYS 21 HA LYS 21 16.797 10.228 9.621 143 HB2 LYS 21 2HB LYS 21 15.794 8.039 10.019 144 HB3 LYS 21 1HB LYS 21 16.735 7.346 8.699 145 HG2 LYS 21 2HG LYS 21 18.801 7.956 9.936 146 HG3 LYS 21 1HG LYS 21 17.806 8.596 11.242 147 HD2 LYS 21 2HD LYS 21 18.418 6.320 11.810 148 HD3 LYS 21 1HD LYS 21 16.702 6.354 11.430 149 HE2 LYS 21 2HE LYS 21 18.430 5.869 9.084 150 HE3 LYS 21 1HE LYS 21 18.517 4.607 10.315 151 HZ1 LYS 21 3HZ LYS 21 16.680 4.546 8.499 152 HZ2 LYS 21 1HZ LYS 21 15.889 5.644 9.522 153 HZ3 LYS 21 2HZ LYS 21 16.314 4.103 10.097 154 H GLU 22 H GLU 22 17.401 8.574 6.512 155 HA GLU 22 HA GLU 22 20.090 9.813 6.528 156 HB2 GLU 22 2HB GLU 22 19.394 7.026 5.645 157 HB3 GLU 22 1HB GLU 22 20.940 7.803 5.314 158 HG2 GLU 22 2HG GLU 22 19.764 7.321 8.053 159 HG3 GLU 22 1HG GLU 22 21.039 6.359 7.325 160 H GLY 23 H GLY 23 20.936 10.429 4.518 161 HA2 GLY 23 2HA GLY 23 20.845 11.300 2.393 162 HA3 GLY 23 1HA GLY 23 19.865 9.893 2.006 163 H ASP 24 H ASP 24 18.590 11.092 0.567 164 HA ASP 24 HA ASP 24 17.164 13.440 1.378 165 HB2 ASP 24 2HB ASP 24 16.798 11.577 -0.964 166 HB3 ASP 24 1HB ASP 24 15.883 13.062 -0.739 167 H LYS 25 H LYS 25 15.132 13.666 2.077 168 HA LYS 25 HA LYS 25 13.925 11.697 3.664 169 HB2 LYS 25 2HB LYS 25 12.571 14.049 2.366 170 HB3 LYS 25 1HB LYS 25 12.071 13.223 3.837 171 HG2 LYS 25 2HG LYS 25 14.174 13.966 4.956 172 HG3 LYS 25 1HG LYS 25 14.642 14.831 3.484 173 HD2 LYS 25 2HD LYS 25 12.286 15.946 3.683 174 HD3 LYS 25 1HD LYS 25 12.357 15.402 5.360 175 HE2 LYS 25 2HE LYS 25 14.383 17.122 3.940 176 HE3 LYS 25 1HE LYS 25 13.254 17.660 5.187 177 HZ1 LYS 25 3HZ LYS 25 15.466 17.214 6.095 178 HZ2 LYS 25 1HZ LYS 25 15.371 15.606 5.562 179 HZ3 LYS 25 2HZ LYS 25 14.304 16.168 6.759 180 H TYR 26 H TYR 26 13.450 12.647 0.369 181 HA TYR 26 HA TYR 26 11.133 10.878 0.104 182 HB2 TYR 26 2HB TYR 26 12.242 13.075 -1.644 183 HB3 TYR 26 1HB TYR 26 10.792 12.135 -2.009 184 HD1 TYR 26 2HD TYR 26 8.791 12.301 -0.628 185 HD2 TYR 26 1HD TYR 26 12.251 14.743 0.223 186 HE1 TYR 26 2HE TYR 26 7.426 13.735 0.859 187 HE2 TYR 26 1HE TYR 26 10.865 16.165 1.692 188 HH TYR 26 HH TYR 26 8.804 15.984 3.006 189 H LYS 27 H LYS 27 14.207 10.083 0.002 190 HA LYS 27 HA LYS 27 13.743 8.311 -2.300 191 HB2 LYS 27 2HB LYS 27 15.070 10.402 -3.046 192 HB3 LYS 27 1HB LYS 27 16.386 9.720 -2.102 193 HG2 LYS 27 2HG LYS 27 16.746 8.992 -4.297 194 HG3 LYS 27 1HG LYS 27 16.103 7.614 -3.415 195 HD2 LYS 27 2HD LYS 27 13.934 7.893 -4.441 196 HD3 LYS 27 1HD LYS 27 14.392 9.435 -5.136 197 HE2 LYS 27 2HE LYS 27 16.183 8.214 -6.427 198 HE3 LYS 27 1HE LYS 27 15.492 6.704 -5.834 199 HZ1 LYS 27 3HZ LYS 27 14.624 8.320 -7.973 200 HZ2 LYS 27 1HZ LYS 27 13.392 8.233 -6.811 201 HZ3 LYS 27 2HZ LYS 27 14.033 6.807 -7.476 202 H LEU 28 H LEU 28 14.697 6.262 -2.052 203 HA LEU 28 HA LEU 28 15.983 5.879 0.578 204 HB2 LEU 28 2HB LEU 28 13.592 5.015 -0.081 205 HB3 LEU 28 1HB LEU 28 14.478 3.778 -0.926 206 HG LEU 28 HG LEU 28 15.560 3.040 1.148 207 HD11 LEU 28 1HD1 LEU 28 15.755 4.794 2.682 208 HD12 LEU 28 2HD1 LEU 28 14.314 4.011 3.303 209 HD13 LEU 28 3HD1 LEU 28 14.159 5.448 2.305 210 HD21 LEU 28 3HD2 LEU 28 13.254 2.194 0.427 211 HD22 LEU 28 1HD2 LEU 28 12.564 3.335 1.581 212 HD23 LEU 28 2HD2 LEU 28 13.586 2.028 2.157 213 H SER 29 H SER 29 17.942 4.916 0.666 214 HA SER 29 HA SER 29 19.165 3.954 -1.831 215 HB2 SER 29 2HB SER 29 20.310 5.785 -0.596 216 HB3 SER 29 1HB SER 29 20.488 4.703 0.782 217 HG SER 29 HG SER 29 21.692 4.617 -1.753 218 H LYS 30 H LYS 30 20.617 2.062 -1.704 219 HA LYS 30 HA LYS 30 19.373 -0.235 -0.803 220 HB2 LYS 30 2HB LYS 30 21.348 -0.179 -2.335 221 HB3 LYS 30 1HB LYS 30 22.358 0.167 -0.935 222 HG2 LYS 30 2HG LYS 30 21.528 -1.958 0.123 223 HG3 LYS 30 1HG LYS 30 20.661 -2.306 -1.370 224 HD2 LYS 30 2HD LYS 30 22.776 -3.468 -1.447 225 HD3 LYS 30 1HD LYS 30 22.848 -2.131 -2.598 226 HE2 LYS 30 2HE LYS 30 24.397 -0.974 -1.359 227 HE3 LYS 30 1HE LYS 30 23.727 -1.503 0.190 228 HZ1 LYS 30 3HZ LYS 30 25.700 -2.801 -1.537 229 HZ2 LYS 30 1HZ LYS 30 24.621 -3.808 -0.702 230 HZ3 LYS 30 2HZ LYS 30 25.613 -2.730 0.158 231 H LYS 31 H LYS 31 21.950 1.609 0.779 232 HA LYS 31 HA LYS 31 22.240 -0.118 2.952 233 HB2 LYS 31 2HB LYS 31 23.402 1.715 4.045 234 HB3 LYS 31 1HB LYS 31 23.839 1.694 2.337 235 HG2 LYS 31 2HG LYS 31 22.092 3.430 1.911 236 HG3 LYS 31 1HG LYS 31 21.791 3.495 3.646 237 HD2 LYS 31 2HD LYS 31 23.291 5.282 3.119 238 HD3 LYS 31 1HD LYS 31 24.214 4.054 3.983 239 HE2 LYS 31 2HE LYS 31 24.113 3.899 0.992 240 HE3 LYS 31 1HE LYS 31 25.141 5.127 1.730 241 HZ1 LYS 31 3HZ LYS 31 25.618 2.374 1.475 242 HZ2 LYS 31 1HZ LYS 31 25.526 2.747 3.126 243 HZ3 LYS 31 2HZ LYS 31 26.633 3.567 2.132 244 H GLU 32 H GLU 32 20.120 2.707 2.448 245 HA GLU 32 HA GLU 32 19.092 2.723 5.105 246 HB2 GLU 32 2HB GLU 32 17.874 3.793 2.550 247 HB3 GLU 32 1HB GLU 32 17.334 4.176 4.184 248 HG2 GLU 32 2HG GLU 32 19.606 5.064 4.681 249 HG3 GLU 32 1HG GLU 32 20.052 4.784 3.007 250 H LEU 33 H LEU 33 17.592 1.553 2.030 251 HA LEU 33 HA LEU 33 15.283 0.590 3.294 252 HB2 LEU 33 2HB LEU 33 14.900 -0.822 1.308 253 HB3 LEU 33 1HB LEU 33 15.247 0.842 0.924 254 HG LEU 33 HG LEU 33 17.764 -0.137 0.812 255 HD11 LEU 33 1HD1 LEU 33 16.056 -2.354 -0.371 256 HD12 LEU 33 2HD1 LEU 33 16.811 -2.482 1.222 257 HD13 LEU 33 3HD1 LEU 33 17.809 -2.308 -0.214 258 HD21 LEU 33 3HD2 LEU 33 15.568 0.224 -1.216 259 HD22 LEU 33 1HD2 LEU 33 17.098 -0.458 -1.758 260 HD23 LEU 33 2HD2 LEU 33 17.054 1.144 -1.014 261 H LYS 34 H LYS 34 18.412 -0.939 2.778 262 HA LYS 34 HA LYS 34 17.611 -3.515 3.507 263 HB2 LYS 34 2HB LYS 34 19.895 -2.923 2.677 264 HB3 LYS 34 1HB LYS 34 20.221 -2.151 4.228 265 HG2 LYS 34 2HG LYS 34 21.149 -4.326 4.437 266 HG3 LYS 34 1HG LYS 34 19.610 -4.418 5.291 267 HD2 LYS 34 2HD LYS 34 18.547 -5.491 3.396 268 HD3 LYS 34 1HD LYS 34 19.967 -5.225 2.394 269 HE2 LYS 34 2HE LYS 34 20.450 -7.378 3.012 270 HE3 LYS 34 1HE LYS 34 21.083 -6.601 4.465 271 HZ1 LYS 34 3HZ LYS 34 19.649 -8.068 5.403 272 HZ2 LYS 34 1HZ LYS 34 18.596 -8.084 4.074 273 HZ3 LYS 34 2HZ LYS 34 18.566 -6.781 5.164 274 H GLU 35 H GLU 35 18.320 -0.607 5.423 275 HA GLU 35 HA GLU 35 18.124 -2.019 7.927 276 HB2 GLU 35 2HB GLU 35 18.116 0.928 7.276 277 HB3 GLU 35 1HB GLU 35 18.132 0.262 8.908 278 HG2 GLU 35 2HG GLU 35 20.211 -0.967 8.389 279 HG3 GLU 35 1HG GLU 35 20.221 -0.249 6.782 280 H LEU 36 H LEU 36 15.848 -0.017 6.005 281 HA LEU 36 HA LEU 36 13.859 0.135 8.023 282 HB2 LEU 36 2HB LEU 36 14.027 1.457 5.808 283 HB3 LEU 36 1HB LEU 36 13.238 0.070 5.070 284 HG LEU 36 HG LEU 36 12.095 1.698 7.392 285 HD11 LEU 36 1HD1 LEU 36 11.029 3.022 5.912 286 HD12 LEU 36 2HD1 LEU 36 10.678 1.693 4.809 287 HD13 LEU 36 3HD1 LEU 36 12.248 2.485 4.756 288 HD21 LEU 36 3HD2 LEU 36 11.042 -0.338 7.647 289 HD22 LEU 36 1HD2 LEU 36 11.198 -0.769 5.950 290 HD23 LEU 36 2HD2 LEU 36 9.982 0.395 6.455 291 H LEU 37 H LEU 37 14.267 -2.239 5.320 292 HA LEU 37 HA LEU 37 11.893 -3.664 5.984 293 HB2 LEU 37 2HB LEU 37 14.361 -4.500 4.468 294 HB3 LEU 37 1HB LEU 37 13.036 -5.614 4.773 295 HG LEU 37 HG LEU 37 13.008 -4.332 2.535 296 HD11 LEU 37 1HD1 LEU 37 10.517 -3.893 4.189 297 HD12 LEU 37 2HD1 LEU 37 11.036 -5.510 3.708 298 HD13 LEU 37 3HD1 LEU 37 10.640 -4.310 2.480 299 HD21 LEU 37 3HD2 LEU 37 11.900 -2.124 4.252 300 HD22 LEU 37 1HD2 LEU 37 12.252 -2.082 2.531 301 HD23 LEU 37 2HD2 LEU 37 13.564 -2.142 3.696 302 H GLN 38 H GLN 38 15.285 -4.132 6.983 303 HA GLN 38 HA GLN 38 14.805 -6.485 8.474 304 HB2 GLN 38 2HB GLN 38 16.935 -4.365 8.783 305 HB3 GLN 38 1HB GLN 38 16.920 -5.886 9.675 306 HG2 GLN 38 2HG GLN 38 16.988 -7.150 7.579 307 HG3 GLN 38 1HG GLN 38 16.932 -5.656 6.647 308 HE21 GLN 38 1HE2 GLN 38 19.127 -7.554 6.494 309 HE22 GLN 38 2HE2 GLN 38 20.514 -6.775 7.085 310 H THR 39 H THR 39 14.600 -3.062 9.334 311 HA THR 39 HA THR 39 14.155 -3.549 12.112 312 HB THR 39 HB THR 39 13.502 -1.194 12.217 313 HG1 THR 39 1HG THR 39 13.481 -0.029 10.225 314 HG21 THR 39 3HG2 THR 39 15.614 -0.432 10.639 315 HG22 THR 39 1HG2 THR 39 15.972 -2.139 10.896 316 HG23 THR 39 2HG2 THR 39 15.772 -1.061 12.277 317 H GLU 40 H GLU 40 12.044 -3.278 9.295 318 HA GLU 40 HA GLU 40 9.705 -3.500 11.072 319 HB2 GLU 40 2HB GLU 40 9.937 -2.805 8.149 320 HB3 GLU 40 1HB GLU 40 8.417 -3.003 9.007 321 HG2 GLU 40 2HG GLU 40 10.586 -1.035 9.774 322 HG3 GLU 40 1HG GLU 40 9.111 -0.623 8.901 323 H LEU 41 H LEU 41 10.679 -4.936 7.914 324 HA LEU 41 HA LEU 41 9.039 -7.279 8.606 325 HB2 LEU 41 2HB LEU 41 10.351 -6.603 5.968 326 HB3 LEU 41 1HB LEU 41 9.207 -7.901 6.260 327 HG LEU 41 HG LEU 41 8.648 -4.925 6.437 328 HD11 LEU 41 1HD1 LEU 41 8.801 -6.305 4.191 329 HD12 LEU 41 2HD1 LEU 41 7.469 -5.178 4.439 330 HD13 LEU 41 3HD1 LEU 41 7.222 -6.907 4.686 331 HD21 LEU 41 3HD2 LEU 41 7.012 -7.335 7.245 332 HD22 LEU 41 1HD2 LEU 41 6.215 -5.883 6.647 333 HD23 LEU 41 2HD2 LEU 41 7.210 -5.796 8.095 334 H SER 42 H SER 42 9.788 -9.327 8.769 335 HA SER 42 HA SER 42 12.745 -9.612 8.746 336 HB2 SER 42 2HB SER 42 11.418 -9.844 10.957 337 HB3 SER 42 1HB SER 42 10.887 -11.390 10.302 338 HG SER 42 HG SER 42 12.962 -12.089 10.265 339 H GLY 43 H GLY 43 9.806 -11.615 8.449 340 HA2 GLY 43 2HA GLY 43 11.008 -13.803 7.218 341 HA3 GLY 43 1HA GLY 43 9.305 -13.397 7.105 342 H PHE 44 H PHE 44 9.581 -10.914 5.637 343 HA PHE 44 HA PHE 44 9.648 -11.978 3.032 344 HB2 PHE 44 2HB PHE 44 9.731 -9.136 4.027 345 HB3 PHE 44 1HB PHE 44 9.629 -9.556 2.316 346 HD1 PHE 44 1HD PHE 44 7.657 -10.705 1.409 347 HD2 PHE 44 2HD PHE 44 7.857 -9.551 5.540 348 HE1 PHE 44 1HE PHE 44 5.215 -11.072 1.631 349 HE2 PHE 44 2HE PHE 44 5.416 -9.913 5.761 350 HZ PHE 44 HZ PHE 44 4.094 -10.674 3.806 351 H LEU 45 H LEU 45 12.057 -9.812 4.588 352 HA LEU 45 HA LEU 45 13.868 -10.110 2.370 353 HB2 LEU 45 2HB LEU 45 13.857 -8.609 4.915 354 HB3 LEU 45 1HB LEU 45 15.452 -9.144 4.394 355 HG LEU 45 HG LEU 45 14.741 -6.864 3.519 356 HD11 LEU 45 1HD1 LEU 45 15.191 -8.055 0.994 357 HD12 LEU 45 2HD1 LEU 45 15.962 -9.138 2.161 358 HD13 LEU 45 3HD1 LEU 45 16.404 -7.428 2.108 359 HD21 LEU 45 3HD2 LEU 45 13.162 -8.088 1.338 360 HD22 LEU 45 1HD2 LEU 45 12.882 -6.599 2.237 361 HD23 LEU 45 2HD2 LEU 45 12.355 -8.139 2.910 362 H ASP 46 H ASP 46 13.588 -11.563 5.541 363 HA ASP 46 HA ASP 46 16.028 -12.924 5.533 364 HB2 ASP 46 2HB ASP 46 14.559 -12.655 7.527 365 HB3 ASP 46 1HB ASP 46 13.455 -13.843 6.835 366 H ALA 47 H ALA 47 12.994 -13.645 3.982 367 HA ALA 47 HA ALA 47 13.227 -16.372 3.553 368 HB1 ALA 47 1HB ALA 47 11.193 -15.183 3.021 369 HB2 ALA 47 2HB ALA 47 11.780 -15.983 1.562 370 HB3 ALA 47 3HB ALA 47 12.020 -14.249 1.773 371 H GLN 48 H GLN 48 14.919 -13.748 1.879 372 HA GLN 48 HA GLN 48 15.879 -15.647 -0.144 373 HB2 GLN 48 2HB GLN 48 16.606 -12.739 0.228 374 HB3 GLN 48 1HB GLN 48 16.902 -13.740 -1.196 375 HG2 GLN 48 2HG GLN 48 14.200 -12.917 -0.101 376 HG3 GLN 48 1HG GLN 48 14.944 -12.360 -1.600 377 HE21 GLN 48 1HE2 GLN 48 12.578 -14.384 -0.597 378 HE22 GLN 48 2HE2 GLN 48 12.678 -15.584 -1.797 379 H LYS 49 H LYS 49 17.585 -16.856 0.270 380 HA LYS 49 HA LYS 49 19.222 -16.604 2.531 381 HB2 LYS 49 2HB LYS 49 18.807 -18.719 1.328 382 HB3 LYS 49 1HB LYS 49 19.799 -18.132 -0.006 383 HG2 LYS 49 2HG LYS 49 21.722 -17.900 1.552 384 HG3 LYS 49 1HG LYS 49 20.726 -18.556 2.851 385 HD2 LYS 49 2HD LYS 49 20.378 -20.617 1.465 386 HD3 LYS 49 1HD LYS 49 21.522 -19.968 0.289 387 HE2 LYS 49 2HE LYS 49 23.084 -19.711 2.402 388 HE3 LYS 49 1HE LYS 49 22.025 -20.949 3.080 389 HZ1 LYS 49 3HZ LYS 49 22.464 -22.306 1.098 390 HZ2 LYS 49 1HZ LYS 49 23.876 -21.982 1.979 391 HZ3 LYS 49 2HZ LYS 49 23.559 -21.132 0.543 392 H ASP 50 H ASP 50 19.828 -15.565 -0.811 393 HA ASP 50 HA ASP 50 22.568 -14.985 -0.379 394 HB2 ASP 50 2HB ASP 50 20.660 -13.974 -2.481 395 HB3 ASP 50 1HB ASP 50 22.398 -13.669 -2.475 396 H VAL 51 H VAL 51 23.658 -13.139 0.058 397 HA VAL 51 HA VAL 51 22.315 -11.116 1.600 398 HB VAL 51 HB VAL 51 24.475 -10.174 1.961 399 HG11 VAL 51 1HG1 VAL 51 23.915 -12.703 2.672 400 HG12 VAL 51 2HG1 VAL 51 25.454 -11.934 3.059 401 HG13 VAL 51 3HG1 VAL 51 25.336 -13.014 1.671 402 HG21 VAL 51 3HG2 VAL 51 25.312 -10.009 -0.290 403 HG22 VAL 51 1HG2 VAL 51 25.320 -11.761 -0.483 404 HG23 VAL 51 2HG2 VAL 51 26.462 -10.990 0.615 405 H ASP 52 H ASP 52 23.351 -11.563 -1.661 406 HA ASP 52 HA ASP 52 23.198 -8.803 -2.469 407 HB2 ASP 52 2HB ASP 52 23.286 -11.388 -4.042 408 HB3 ASP 52 1HB ASP 52 23.315 -9.785 -4.775 409 H ALA 53 H ALA 53 20.949 -10.965 -1.489 410 HA ALA 53 HA ALA 53 18.896 -10.884 -3.370 411 HB1 ALA 53 1HB ALA 53 18.664 -10.842 -0.355 412 HB2 ALA 53 2HB ALA 53 18.870 -12.289 -1.344 413 HB3 ALA 53 3HB ALA 53 17.402 -11.317 -1.492 414 H VAL 54 H VAL 54 19.854 -8.521 -0.901 415 HA VAL 54 HA VAL 54 17.626 -6.805 -1.131 416 HB VAL 54 HB VAL 54 19.448 -6.657 0.611 417 HG11 VAL 54 1HG1 VAL 54 21.538 -5.662 0.079 418 HG12 VAL 54 2HG1 VAL 54 20.967 -5.108 -1.494 419 HG13 VAL 54 3HG1 VAL 54 21.273 -6.822 -1.221 420 HG21 VAL 54 3HG2 VAL 54 19.568 -4.083 0.425 421 HG22 VAL 54 1HG2 VAL 54 17.965 -4.812 0.521 422 HG23 VAL 54 2HG2 VAL 54 18.603 -4.276 -1.036 423 H ASP 55 H ASP 55 20.707 -6.935 -2.888 424 HA ASP 55 HA ASP 55 20.282 -4.680 -4.527 425 HB2 ASP 55 2HB ASP 55 21.868 -7.206 -4.954 426 HB3 ASP 55 1HB ASP 55 21.929 -5.828 -6.052 427 H LYS 56 H LYS 56 19.445 -8.095 -4.851 428 HA LYS 56 HA LYS 56 18.374 -7.934 -7.464 429 HB2 LYS 56 2HB LYS 56 17.686 -9.779 -5.162 430 HB3 LYS 56 1HB LYS 56 17.144 -10.007 -6.826 431 HG2 LYS 56 2HG LYS 56 19.531 -10.036 -7.559 432 HG3 LYS 56 1HG LYS 56 20.020 -9.935 -5.868 433 HD2 LYS 56 2HD LYS 56 18.751 -12.036 -5.416 434 HD3 LYS 56 1HD LYS 56 18.399 -12.159 -7.140 435 HE2 LYS 56 2HE LYS 56 20.921 -12.053 -7.526 436 HE3 LYS 56 1HE LYS 56 21.101 -12.287 -5.787 437 HZ1 LYS 56 3HZ LYS 56 20.857 -14.266 -7.609 438 HZ2 LYS 56 1HZ LYS 56 19.270 -14.130 -7.024 439 HZ3 LYS 56 2HZ LYS 56 20.549 -14.428 -5.946 440 H VAL 57 H VAL 57 17.020 -7.349 -4.262 441 HA VAL 57 HA VAL 57 14.316 -7.101 -5.030 442 HB VAL 57 HB VAL 57 15.835 -5.960 -2.683 443 HG11 VAL 57 1HG1 VAL 57 13.426 -5.832 -1.738 444 HG12 VAL 57 2HG1 VAL 57 12.912 -5.880 -3.424 445 HG13 VAL 57 3HG1 VAL 57 13.938 -4.565 -2.852 446 HG21 VAL 57 3HG2 VAL 57 15.181 -7.868 -1.523 447 HG22 VAL 57 1HG2 VAL 57 15.394 -8.541 -3.140 448 HG23 VAL 57 2HG2 VAL 57 13.779 -8.144 -2.559 449 H MET 58 H MET 58 16.837 -4.557 -4.589 450 HA MET 58 HA MET 58 14.989 -2.466 -5.126 451 HB2 MET 58 2HB MET 58 17.095 -1.096 -5.701 452 HB3 MET 58 1HB MET 58 16.859 -1.653 -4.047 453 HG2 MET 58 2HG MET 58 18.547 -3.236 -4.201 454 HG3 MET 58 1HG MET 58 18.389 -3.372 -5.951 455 HE1 MET 58 3HE MET 58 19.985 0.475 -3.970 456 HE2 MET 58 1HE MET 58 19.198 -0.837 -3.084 457 HE3 MET 58 2HE MET 58 18.290 0.122 -4.250 458 H LYS 59 H LYS 59 17.006 -4.343 -7.358 459 HA LYS 59 HA LYS 59 16.796 -2.586 -9.536 460 HB2 LYS 59 2HB LYS 59 16.956 -5.606 -9.626 461 HB3 LYS 59 1HB LYS 59 17.217 -4.531 -10.999 462 HG2 LYS 59 2HG LYS 59 18.862 -4.480 -8.474 463 HG3 LYS 59 1HG LYS 59 19.328 -5.244 -9.991 464 HD2 LYS 59 2HD LYS 59 18.641 -2.793 -10.931 465 HD3 LYS 59 1HD LYS 59 19.144 -2.350 -9.298 466 HE2 LYS 59 2HE LYS 59 21.239 -3.709 -9.707 467 HE3 LYS 59 1HE LYS 59 20.720 -3.807 -11.391 468 HZ1 LYS 59 3HZ LYS 59 22.172 -1.962 -11.225 469 HZ2 LYS 59 1HZ LYS 59 21.390 -1.368 -9.842 470 HZ3 LYS 59 2HZ LYS 59 20.603 -1.322 -11.346 471 H GLU 60 H GLU 60 14.526 -5.141 -8.503 472 HA GLU 60 HA GLU 60 12.806 -4.865 -10.753 473 HB2 GLU 60 2HB GLU 60 12.765 -6.794 -9.184 474 HB3 GLU 60 1HB GLU 60 12.085 -5.741 -7.948 475 HG2 GLU 60 2HG GLU 60 10.180 -5.239 -9.474 476 HG3 GLU 60 1HG GLU 60 10.840 -6.387 -10.634 477 H LEU 61 H LEU 61 12.877 -3.389 -7.567 478 HA LEU 61 HA LEU 61 10.468 -1.922 -7.830 479 HB2 LEU 61 2HB LEU 61 12.831 -1.368 -6.037 480 HB3 LEU 61 1HB LEU 61 11.226 -0.682 -5.858 481 HG LEU 61 HG LEU 61 11.956 -3.611 -5.600 482 HD11 LEU 61 1HD1 LEU 61 11.839 -3.318 -3.318 483 HD12 LEU 61 2HD1 LEU 61 10.692 -1.983 -3.436 484 HD13 LEU 61 3HD1 LEU 61 12.401 -1.712 -3.765 485 HD21 LEU 61 3HD2 LEU 61 9.488 -3.577 -4.693 486 HD22 LEU 61 1HD2 LEU 61 9.761 -3.727 -6.416 487 HD23 LEU 61 2HD2 LEU 61 9.314 -2.166 -5.711 488 H ASP 62 H ASP 62 13.784 -1.179 -8.616 489 HA ASP 62 HA ASP 62 13.257 1.612 -8.906 490 HB2 ASP 62 2HB ASP 62 15.452 0.666 -8.286 491 HB3 ASP 62 1HB ASP 62 15.593 -0.000 -9.914 492 H GLU 63 H GLU 63 11.794 2.131 -10.436 493 HA GLU 63 HA GLU 63 11.571 1.008 -13.043 494 HB2 GLU 63 2HB GLU 63 9.750 2.223 -12.006 495 HB3 GLU 63 1HB GLU 63 10.773 3.652 -11.812 496 HG2 GLU 63 2HG GLU 63 10.988 3.863 -14.225 497 HG3 GLU 63 1HG GLU 63 9.952 2.434 -14.469 498 H ASN 64 H ASN 64 12.964 3.853 -11.711 499 HA ASN 64 HA ASN 64 13.876 5.203 -13.935 500 HB2 ASN 64 2HB ASN 64 14.868 4.967 -11.151 501 HB3 ASN 64 1HB ASN 64 15.355 6.270 -12.229 502 HD21 ASN 64 1HD2 ASN 64 12.895 6.968 -13.381 503 HD22 ASN 64 2HD2 ASN 64 11.808 7.454 -12.171 504 H GLY 65 H GLY 65 15.400 2.584 -12.106 505 HA2 GLY 65 2HA GLY 65 17.153 1.187 -12.823 506 HA3 GLY 65 1HA GLY 65 17.410 2.258 -14.205 507 H ASP 66 H ASP 66 16.982 3.815 -11.243 508 HA ASP 66 HA ASP 66 19.675 4.861 -11.204 509 HB2 ASP 66 2HB ASP 66 18.742 6.353 -9.494 510 HB3 ASP 66 1HB ASP 66 17.667 6.276 -10.891 511 H GLY 67 H GLY 67 18.483 2.043 -10.050 512 HA2 GLY 67 2HA GLY 67 19.186 0.552 -8.435 513 HA3 GLY 67 1HA GLY 67 20.618 1.565 -8.263 514 H GLU 68 H GLU 68 18.197 3.645 -7.811 515 HA GLU 68 HA GLU 68 18.151 3.251 -4.873 516 HB2 GLU 68 2HB GLU 68 19.356 5.261 -5.809 517 HB3 GLU 68 1HB GLU 68 17.805 5.828 -6.418 518 HG2 GLU 68 2HG GLU 68 16.902 5.814 -4.124 519 HG3 GLU 68 1HG GLU 68 18.456 5.262 -3.518 520 H VAL 69 H VAL 69 16.212 3.361 -3.789 521 HA VAL 69 HA VAL 69 13.875 2.923 -5.511 522 HB VAL 69 HB VAL 69 14.327 2.330 -2.585 523 HG11 VAL 69 1HG1 VAL 69 11.926 2.664 -3.232 524 HG12 VAL 69 2HG1 VAL 69 12.297 1.028 -2.694 525 HG13 VAL 69 3HG1 VAL 69 12.125 1.367 -4.414 526 HG21 VAL 69 3HG2 VAL 69 14.214 0.457 -4.953 527 HG22 VAL 69 1HG2 VAL 69 14.631 0.053 -3.287 528 HG23 VAL 69 2HG2 VAL 69 15.717 1.057 -4.246 529 H ASP 70 H ASP 70 12.099 4.200 -5.530 530 HA ASP 70 HA ASP 70 12.182 6.634 -3.890 531 HB2 ASP 70 2HB ASP 70 12.019 6.823 -6.379 532 HB3 ASP 70 1HB ASP 70 10.441 6.067 -6.279 533 H PHE 71 H PHE 71 10.215 7.482 -3.004 534 HA PHE 71 HA PHE 71 8.945 5.834 -1.192 535 HB2 PHE 71 2HB PHE 71 9.023 8.397 -1.398 536 HB3 PHE 71 1HB PHE 71 7.669 8.243 -2.501 537 HD1 PHE 71 1HD PHE 71 6.834 5.665 -0.410 538 HD2 PHE 71 2HD PHE 71 7.360 9.921 -0.240 539 HE1 PHE 71 1HE PHE 71 5.270 5.781 1.502 540 HE2 PHE 71 2HE PHE 71 5.805 10.021 1.674 541 HZ PHE 71 HZ PHE 71 4.768 7.956 2.541 542 H GLN 72 H GLN 72 7.799 6.795 -4.458 543 HA GLN 72 HA GLN 72 5.312 5.433 -4.311 544 HB2 GLN 72 2HB GLN 72 7.057 6.093 -6.703 545 HB3 GLN 72 1HB GLN 72 5.396 5.508 -6.808 546 HG2 GLN 72 2HG GLN 72 4.615 7.451 -5.537 547 HG3 GLN 72 1HG GLN 72 6.257 8.036 -5.365 548 HE21 GLN 72 1HE2 GLN 72 4.316 9.652 -6.585 549 HE22 GLN 72 2HE2 GLN 72 4.664 9.788 -8.236 550 H GLU 73 H GLU 73 8.541 4.387 -5.369 551 HA GLU 73 HA GLU 73 7.802 1.833 -6.331 552 HB2 GLU 73 2HB GLU 73 10.388 2.856 -5.166 553 HB3 GLU 73 1HB GLU 73 10.227 1.329 -6.020 554 HG2 GLU 73 2HG GLU 73 9.444 2.589 -8.029 555 HG3 GLU 73 1HG GLU 73 9.708 4.097 -7.155 556 H TYR 74 H TYR 74 8.884 3.020 -3.193 557 HA TYR 74 HA TYR 74 9.002 0.572 -1.772 558 HB2 TYR 74 2HB TYR 74 10.005 2.730 -1.040 559 HB3 TYR 74 1HB TYR 74 8.386 3.362 -0.757 560 HD1 TYR 74 1HD TYR 74 10.966 1.014 0.395 561 HD2 TYR 74 2HD TYR 74 7.021 2.555 1.104 562 HE1 TYR 74 1HE TYR 74 10.979 0.013 2.661 563 HE2 TYR 74 2HE TYR 74 7.035 1.544 3.369 564 HH TYR 74 HH TYR 74 9.527 -0.667 4.369 565 H VAL 75 H VAL 75 6.536 2.954 -2.313 566 HA VAL 75 HA VAL 75 4.549 1.958 -0.601 567 HB VAL 75 HB VAL 75 4.766 4.148 -2.424 568 HG11 VAL 75 1HG1 VAL 75 2.493 4.144 -3.452 569 HG12 VAL 75 2HG1 VAL 75 2.375 2.437 -3.075 570 HG13 VAL 75 3HG1 VAL 75 3.610 3.000 -4.183 571 HG21 VAL 75 3HG2 VAL 75 2.634 3.291 -0.466 572 HG22 VAL 75 1HG2 VAL 75 2.573 4.823 -1.334 573 HG23 VAL 75 2HG2 VAL 75 3.916 4.488 -0.240 574 H VAL 76 H VAL 76 5.101 1.319 -4.097 575 HA VAL 76 HA VAL 76 2.901 -0.513 -4.148 576 HB VAL 76 HB VAL 76 3.698 -1.271 -6.295 577 HG11 VAL 76 1HG1 VAL 76 4.337 1.675 -6.214 578 HG12 VAL 76 2HG1 VAL 76 2.698 1.097 -5.909 579 HG13 VAL 76 3HG1 VAL 76 3.478 0.766 -7.457 580 HG21 VAL 76 3HG2 VAL 76 5.837 -0.662 -7.206 581 HG22 VAL 76 1HG2 VAL 76 6.142 -1.349 -5.611 582 HG23 VAL 76 2HG2 VAL 76 6.168 0.393 -5.843 583 H LEU 77 H LEU 77 6.370 -0.852 -3.349 584 HA LEU 77 HA LEU 77 6.444 -3.664 -3.347 585 HB2 LEU 77 2HB LEU 77 8.479 -2.407 -3.001 586 HB3 LEU 77 1HB LEU 77 7.836 -1.677 -1.539 587 HG LEU 77 HG LEU 77 7.755 -4.012 -0.520 588 HD11 LEU 77 1HD1 LEU 77 8.627 -5.866 -1.522 589 HD12 LEU 77 2HD1 LEU 77 9.810 -4.962 -2.443 590 HD13 LEU 77 3HD1 LEU 77 8.145 -5.041 -2.995 591 HD21 LEU 77 3HD2 LEU 77 9.511 -2.359 -0.032 592 HD22 LEU 77 1HD2 LEU 77 10.458 -2.975 -1.388 593 HD23 LEU 77 2HD2 LEU 77 10.140 -4.007 0.006 594 H VAL 78 H VAL 78 5.593 -1.511 -0.584 595 HA VAL 78 HA VAL 78 4.977 -3.772 1.051 596 HB VAL 78 HB VAL 78 3.911 -2.236 2.630 597 HG11 VAL 78 1HG1 VAL 78 5.980 -0.638 2.780 598 HG12 VAL 78 2HG1 VAL 78 6.600 -1.637 1.462 599 HG13 VAL 78 3HG1 VAL 78 6.178 -2.375 3.011 600 HG21 VAL 78 3HG2 VAL 78 4.534 -0.007 0.664 601 HG22 VAL 78 1HG2 VAL 78 3.732 0.127 2.225 602 HG23 VAL 78 2HG2 VAL 78 2.921 -0.685 0.893 603 H ALA 79 H ALA 79 2.983 -1.768 -1.088 604 HA ALA 79 HA ALA 79 0.513 -2.872 -0.123 605 HB1 ALA 79 1HB ALA 79 -0.499 -1.578 -1.687 606 HB2 ALA 79 2HB ALA 79 0.682 -1.959 -2.946 607 HB3 ALA 79 3HB ALA 79 1.069 -0.791 -1.693 608 H ALA 80 H ALA 80 2.504 -3.660 -2.969 609 HA ALA 80 HA ALA 80 0.862 -5.751 -3.911 610 HB1 ALA 80 1HB ALA 80 2.987 -6.494 -5.086 611 HB2 ALA 80 2HB ALA 80 3.800 -5.151 -4.280 612 HB3 ALA 80 3HB ALA 80 2.476 -4.834 -5.404 613 H LEU 81 H LEU 81 3.606 -5.646 -1.635 614 HA LEU 81 HA LEU 81 3.636 -8.470 -1.265 615 HB2 LEU 81 2HB LEU 81 4.854 -6.173 0.190 616 HB3 LEU 81 1HB LEU 81 4.704 -7.707 1.041 617 HG LEU 81 HG LEU 81 5.890 -8.860 -0.782 618 HD11 LEU 81 1HD1 LEU 81 5.151 -7.199 -2.579 619 HD12 LEU 81 2HD1 LEU 81 6.818 -7.750 -2.663 620 HD13 LEU 81 3HD1 LEU 81 6.451 -6.166 -2.008 621 HD21 LEU 81 3HD2 LEU 81 8.120 -7.809 -0.443 622 HD22 LEU 81 1HD2 LEU 81 7.219 -7.982 1.062 623 HD23 LEU 81 2HD2 LEU 81 7.325 -6.409 0.274 624 H THR 82 H THR 82 1.734 -5.845 0.171 625 HA THR 82 HA THR 82 0.688 -7.351 2.339 626 HB THR 82 HB THR 82 -0.686 -5.167 0.758 627 HG1 THR 82 1HG THR 82 0.352 -3.772 2.089 628 HG21 THR 82 3HG2 THR 82 -2.281 -5.140 2.370 629 HG22 THR 82 1HG2 THR 82 -1.097 -5.346 3.660 630 HG23 THR 82 2HG2 THR 82 -1.706 -6.753 2.789 631 H VAL 83 H VAL 83 -0.650 -6.799 -0.948 632 HA VAL 83 HA VAL 83 -2.873 -8.539 -0.503 633 HB VAL 83 HB VAL 83 -2.899 -6.924 -2.367 634 HG11 VAL 83 1HG1 VAL 83 -0.497 -7.359 -3.069 635 HG12 VAL 83 2HG1 VAL 83 -1.646 -7.252 -4.368 636 HG13 VAL 83 3HG1 VAL 83 -1.067 -8.829 -3.838 637 HG21 VAL 83 3HG2 VAL 83 -4.135 -9.263 -2.265 638 HG22 VAL 83 1HG2 VAL 83 -3.092 -9.636 -3.642 639 HG23 VAL 83 2HG2 VAL 83 -4.217 -8.276 -3.723 640 H ALA 84 H ALA 84 0.385 -9.130 -1.755 641 HA ALA 84 HA ALA 84 -0.059 -11.832 -2.502 642 HB1 ALA 84 1HB ALA 84 2.528 -10.596 -1.543 643 HB2 ALA 84 2HB ALA 84 1.901 -10.422 -3.184 644 HB3 ALA 84 3HB ALA 84 2.340 -12.017 -2.571 645 H CYS 85 H CHC 85 0.725 -10.223 0.496 646 HA CYS 85 HA CHC 85 1.472 -12.475 2.022 647 HB2 CYS 85 2HB CHC 85 1.852 -10.105 2.710 648 HB3 CYS 85 1HB CHC 85 0.117 -9.944 2.984 649 H ASN 86 H ASN 86 -1.652 -10.719 1.781 650 HA ASN 86 HA ASN 86 -3.081 -12.549 3.376 651 HB2 ASN 86 2HB ASN 86 -3.937 -10.331 2.466 652 HB3 ASN 86 1HB ASN 86 -4.235 -11.173 0.946 653 HD21 ASN 86 1HD2 ASN 86 -6.315 -12.014 0.787 654 HD22 ASN 86 2HD2 ASN 86 -7.279 -12.485 2.101 655 H ASN 87 H ASN 87 -2.275 -12.568 -0.094 656 HA ASN 87 HA ASN 87 -3.754 -14.892 -0.805 657 HB2 ASN 87 2HB ASN 87 -1.156 -13.815 -1.923 658 HB3 ASN 87 1HB ASN 87 -2.131 -15.076 -2.670 659 HD21 ASN 87 1HD2 ASN 87 -4.287 -13.009 -1.170 660 HD22 ASN 87 2HD2 ASN 87 -4.637 -11.990 -2.481 661 H PHE 88 H PHE 88 -0.413 -14.603 0.539 662 HA PHE 88 HA PHE 88 -0.081 -17.427 0.274 663 HB2 PHE 88 2HB PHE 88 1.358 -15.444 2.071 664 HB3 PHE 88 1HB PHE 88 1.764 -17.157 1.997 665 HD1 PHE 88 1HD PHE 88 2.252 -18.151 -0.352 666 HD2 PHE 88 2HD PHE 88 2.311 -13.950 0.521 667 HE1 PHE 88 1HE PHE 88 3.649 -17.752 -2.362 668 HE2 PHE 88 2HE PHE 88 3.693 -13.546 -1.496 669 HZ PHE 88 HZ PHE 88 4.365 -15.449 -2.937 670 H PHE 89 H PHE 89 -1.460 -15.372 2.815 671 HA PHE 89 HA PHE 89 -1.555 -17.375 4.814 672 HB2 PHE 89 2HB PHE 89 -1.906 -14.957 5.238 673 HB3 PHE 89 1HB PHE 89 -3.463 -15.063 4.416 674 HD1 PHE 89 2HD PHE 89 -1.519 -16.193 7.362 675 HD2 PHE 89 1HD PHE 89 -5.370 -16.099 5.461 676 HE1 PHE 89 2HE PHE 89 -2.574 -16.993 9.459 677 HE2 PHE 89 1HE PHE 89 -6.425 -16.899 7.557 678 HZ PHE 89 HZ PHE 89 -5.026 -17.346 9.556 679 H TRP 90 H TRP 90 -4.299 -16.203 2.777 680 HA TRP 90 HA TRP 90 -5.938 -18.450 3.488 681 HB2 TRP 90 2HB TRP 90 -6.929 -16.330 2.733 682 HB3 TRP 90 1HB TRP 90 -6.245 -16.598 1.125 683 HD1 TRP 90 HD TRP 90 -6.978 -18.942 -0.087 684 HE1 TRP 90 1HE TRP 90 -9.223 -20.166 -0.060 685 HE3 TRP 90 3HE TRP 90 -9.068 -16.792 4.038 686 HZ2 TRP 90 2HZ TRP 90 -11.630 -20.219 1.506 687 HZ3 TRP 90 3HZ TRP 90 -11.344 -17.445 4.774 688 HH2 TRP 90 HH TRP 90 -12.626 -19.154 3.514 689 H GLU 91 H GLU 91 -4.013 -17.614 0.700 690 HA GLU 91 HA GLU 91 -4.491 -20.228 -0.531 691 HB2 GLU 91 2HB GLU 91 -3.347 -17.632 -1.546 692 HB3 GLU 91 1HB GLU 91 -3.237 -19.084 -2.460 693 HG2 GLU 91 2HG GLU 91 -5.746 -19.261 -2.325 694 HG3 GLU 91 1HG GLU 91 -5.746 -17.711 -1.484 695 H ASN 92 H ASN 92 -2.790 -21.589 -1.150 696 HA ASN 92 HA ASN 92 -0.282 -21.181 0.357 697 HB2 ASN 92 2HB ASN 92 -1.540 -23.691 -0.774 698 HB3 ASN 92 1HB ASN 92 0.022 -23.632 0.043 699 HD21 ASN 92 1HD2 ASN 92 -2.145 -25.181 1.097 700 HD22 ASN 92 2HD2 ASN 92 -2.645 -24.471 2.556 701 H SER 93 H SER 93 1.657 -21.112 -0.659 702 HA SER 93 HA SER 93 3.148 -20.773 -2.376 703 HB2 SER 93 2HB SER 93 1.565 -22.816 -3.924 704 HB3 SER 93 1HB SER 93 3.298 -22.506 -3.971 705 HG SER 93 HG SER 93 2.669 -23.034 -1.468 706 H1 GLY 1 H GLY 1 7.654 -3.574 17.377 707 HA2 GLY 1 2HA GLY 1 8.969 -1.864 15.357 708 HA3 GLY 1 1HA GLY 1 9.574 -3.491 15.656 709 H SER 2 H SER 2 9.121 -3.971 13.429 710 HA SER 2 HA SER 2 7.764 -4.498 11.607 711 HB2 SER 2 2HB SER 2 6.606 -6.075 13.904 712 HB3 SER 2 1HB SER 2 6.237 -6.386 12.211 713 HG SER 2 HG SER 2 8.855 -6.190 12.411 714 H GLU 3 H GLU 3 6.831 -2.118 13.196 715 HA GLU 3 HA GLU 3 4.037 -2.133 13.430 716 HB2 GLU 3 2HB GLU 3 5.615 -0.361 14.290 717 HB3 GLU 3 1HB GLU 3 5.727 0.238 12.634 718 HG2 GLU 3 2HG GLU 3 4.017 1.525 13.728 719 HG3 GLU 3 1HG GLU 3 3.204 0.409 12.636 720 H LEU 4 H LEU 4 6.158 -1.574 10.659 721 HA LEU 4 HA LEU 4 4.225 -0.637 8.813 722 HB2 LEU 4 2HB LEU 4 6.806 -0.854 8.557 723 HB3 LEU 4 1HB LEU 4 6.478 -2.525 8.121 724 HG LEU 4 HG LEU 4 5.272 -0.112 6.736 725 HD11 LEU 4 1HD1 LEU 4 6.898 -0.219 5.093 726 HD12 LEU 4 2HD1 LEU 4 7.290 -1.904 5.429 727 HD13 LEU 4 3HD1 LEU 4 7.853 -0.635 6.517 728 HD21 LEU 4 3HD2 LEU 4 5.006 -2.054 4.932 729 HD22 LEU 4 1HD2 LEU 4 3.793 -1.737 6.164 730 HD23 LEU 4 2HD2 LEU 4 4.950 -3.054 6.380 731 H GLU 5 H GLU 5 5.276 -3.828 9.871 732 HA GLU 5 HA GLU 5 3.760 -5.419 8.101 733 HB2 GLU 5 2HB GLU 5 5.650 -5.991 9.885 734 HB3 GLU 5 1HB GLU 5 4.262 -6.289 10.927 735 HG2 GLU 5 2HG GLU 5 4.609 -7.541 8.188 736 HG3 GLU 5 1HG GLU 5 5.083 -8.321 9.691 737 H THR 6 H THR 6 3.072 -3.965 11.255 738 HA THR 6 HA THR 6 0.550 -5.150 11.681 739 HB THR 6 HB THR 6 1.437 -2.381 12.537 740 HG1 THR 6 1HG THR 6 2.309 -3.386 14.287 741 HG21 THR 6 3HG2 THR 6 -0.151 -2.815 14.405 742 HG22 THR 6 1HG2 THR 6 -0.624 -4.322 13.618 743 HG23 THR 6 2HG2 THR 6 -0.953 -2.776 12.834 744 H ALA 7 H ALA 7 1.592 -2.237 9.954 745 HA ALA 7 HA ALA 7 -1.008 -1.294 9.321 746 HB1 ALA 7 1HB ALA 7 0.896 0.161 9.040 747 HB2 ALA 7 2HB ALA 7 0.146 -0.076 7.464 748 HB3 ALA 7 3HB ALA 7 1.625 -0.939 7.876 749 H MET 8 H MET 8 1.197 -3.555 7.689 750 HA MET 8 HA MET 8 -0.321 -3.919 5.316 751 HB2 MET 8 2HB MET 8 1.463 -5.835 6.863 752 HB3 MET 8 1HB MET 8 0.848 -6.153 5.244 753 HG2 MET 8 2HG MET 8 1.962 -4.115 4.414 754 HG3 MET 8 1HG MET 8 2.578 -3.793 6.018 755 HE1 MET 8 3HE MET 8 2.394 -7.284 3.903 756 HE2 MET 8 1HE MET 8 3.872 -6.927 3.004 757 HE3 MET 8 2HE MET 8 2.517 -5.805 2.948 758 H GLU 9 H GLU 9 -0.419 -5.432 8.506 759 HA GLU 9 HA GLU 9 -2.470 -7.310 7.945 760 HB2 GLU 9 2HB GLU 9 -1.633 -6.009 10.547 761 HB3 GLU 9 1HB GLU 9 -2.777 -7.347 10.425 762 HG2 GLU 9 2HG GLU 9 -1.035 -8.707 9.297 763 HG3 GLU 9 1HG GLU 9 0.108 -7.383 9.495 764 H THR 10 H THR 10 -2.458 -3.927 8.950 765 HA THR 10 HA THR 10 -5.205 -3.740 9.577 766 HB THR 10 HB THR 10 -3.396 -1.594 8.462 767 HG1 THR 10 1HG THR 10 -4.050 -1.935 11.162 768 HG21 THR 10 3HG2 THR 10 -5.766 -1.018 8.332 769 HG22 THR 10 1HG2 THR 10 -4.984 -0.082 9.605 770 HG23 THR 10 2HG2 THR 10 -5.984 -1.475 10.021 771 H LEU 11 H LEU 11 -3.426 -3.196 6.523 772 HA LEU 11 HA LEU 11 -5.691 -2.358 5.046 773 HB2 LEU 11 2HB LEU 11 -3.313 -3.910 3.987 774 HB3 LEU 11 1HB LEU 11 -4.395 -2.883 3.055 775 HG LEU 11 HG LEU 11 -2.431 -2.004 5.187 776 HD11 LEU 11 1HD1 LEU 11 -1.290 -2.353 3.146 777 HD12 LEU 11 2HD1 LEU 11 -1.613 -0.619 3.191 778 HD13 LEU 11 3HD1 LEU 11 -2.615 -1.678 2.197 779 HD21 LEU 11 3HD2 LEU 11 -4.668 -0.511 3.826 780 HD22 LEU 11 1HD2 LEU 11 -3.206 0.332 4.327 781 HD23 LEU 11 2HD2 LEU 11 -4.194 -0.488 5.528 782 H ILE 12 H ILE 12 -4.233 -5.518 5.682 783 HA ILE 12 HA ILE 12 -6.025 -7.007 4.060 784 HB ILE 12 HB ILE 12 -4.528 -7.831 6.552 785 HG12 ILE 12 2HG1 ILE 12 -3.924 -8.369 3.634 786 HG13 ILE 12 1HG1 ILE 12 -3.194 -7.050 4.531 787 HG21 ILE 12 1HG2 ILE 12 -6.349 -9.370 6.219 788 HG22 ILE 12 2HG2 ILE 12 -4.888 -10.145 5.604 789 HG23 ILE 12 3HG2 ILE 12 -6.047 -9.435 4.482 790 HD11 ILE 12 3HD1 ILE 12 -1.915 -9.315 4.369 791 HD12 ILE 12 1HD1 ILE 12 -3.075 -9.872 5.577 792 HD13 ILE 12 2HD1 ILE 12 -2.005 -8.516 5.940 793 H ASN 13 H ASN 13 -6.188 -6.123 7.495 794 HA ASN 13 HA ASN 13 -8.533 -7.538 8.104 795 HB2 ASN 13 2HB ASN 13 -7.374 -5.039 9.328 796 HB3 ASN 13 1HB ASN 13 -8.702 -5.963 10.028 797 HD21 ASN 13 1HD2 ASN 13 -6.212 -5.668 11.411 798 HD22 ASN 13 2HD2 ASN 13 -5.455 -7.186 11.474 799 H VAL 14 H VAL 14 -8.164 -4.161 6.943 800 HA VAL 14 HA VAL 14 -10.995 -3.711 7.182 801 HB VAL 14 HB VAL 14 -10.666 -1.578 6.102 802 HG11 VAL 14 1HG1 VAL 14 -8.179 -1.825 7.748 803 HG12 VAL 14 2HG1 VAL 14 -9.731 -2.182 8.502 804 HG13 VAL 14 3HG1 VAL 14 -9.441 -0.591 7.797 805 HG21 VAL 14 3HG2 VAL 14 -7.931 -2.649 5.364 806 HG22 VAL 14 1HG2 VAL 14 -8.310 -0.939 5.382 807 HG23 VAL 14 2HG2 VAL 14 -9.173 -2.017 4.291 808 H PHE 15 H PHE 15 -8.863 -4.584 4.441 809 HA PHE 15 HA PHE 15 -10.886 -4.415 2.462 810 HB2 PHE 15 2HB PHE 15 -8.516 -4.650 1.873 811 HB3 PHE 15 1HB PHE 15 -8.488 -6.266 2.586 812 HD1 PHE 15 1HD PHE 15 -10.311 -4.221 0.029 813 HD2 PHE 15 2HD PHE 15 -9.071 -8.124 1.313 814 HE1 PHE 15 1HE PHE 15 -11.204 -5.203 -2.059 815 HE2 PHE 15 2HE PHE 15 -9.953 -9.097 -0.783 816 HZ PHE 15 HZ PHE 15 -11.025 -7.636 -2.475 817 H HIS 16 H HIS 16 -9.758 -7.047 4.514 818 HA HIS 16 HA HIS 16 -11.630 -8.970 3.619 819 HB2 HIS 16 2HB HIS 16 -9.570 -9.556 4.883 820 HB3 HIS 16 1HB HIS 16 -10.249 -8.768 6.306 821 HD1 HIS 16 1HD HIS 16 -11.322 -11.487 3.840 822 HD2 HIS 16 2HD HIS 16 -11.650 -10.531 7.884 823 HE1 HIS 16 1HE HIS 16 -12.559 -13.405 4.934 824 HE2 HIS 16 2HE HIS 16 -12.769 -12.838 7.398 825 H ALA 17 H ALA 17 -11.732 -6.463 6.061 826 HA ALA 17 HA ALA 17 -14.023 -7.341 7.385 827 HB1 ALA 17 1HB ALA 17 -14.341 -5.025 8.049 828 HB2 ALA 17 2HB ALA 17 -13.322 -4.456 6.722 829 HB3 ALA 17 3HB ALA 17 -12.613 -5.372 8.060 830 H HIS 18 H HIS 18 -13.736 -5.126 4.564 831 HA HIS 18 HA HIS 18 -16.642 -5.224 4.287 832 HB2 HIS 18 2HB HIS 18 -14.475 -3.830 2.759 833 HB3 HIS 18 1HB HIS 18 -16.131 -3.884 2.148 834 HD1 HIS 18 1HD HIS 18 -17.664 -2.128 3.072 835 HD2 HIS 18 2HD HIS 18 -14.476 -2.879 5.638 836 HE1 HIS 18 1HE HIS 18 -17.955 -0.591 5.065 837 HE2 HIS 18 2HE HIS 18 -16.025 -1.041 6.637 838 H SER 19 H SER 19 -13.987 -6.439 2.141 839 HA SER 19 HA SER 19 -15.731 -7.540 0.251 840 HB2 SER 19 2HB SER 19 -13.272 -7.333 -0.074 841 HB3 SER 19 1HB SER 19 -13.043 -8.669 1.042 842 HG SER 19 HG SER 19 -14.857 -9.096 -1.035 843 H GLY 20 H GLY 20 -14.420 -8.845 3.267 844 HA2 GLY 20 2HA GLY 20 -15.613 -11.450 3.099 845 HA3 GLY 20 1HA GLY 20 -14.912 -10.714 4.519 846 H LYS 21 H LYS 21 -16.531 -8.429 4.757 847 HA LYS 21 HA LYS 21 -18.751 -9.490 6.136 848 HB2 LYS 21 2HB LYS 21 -17.851 -7.262 6.562 849 HB3 LYS 21 1HB LYS 21 -18.432 -6.705 4.995 850 HG2 LYS 21 2HG LYS 21 -20.746 -7.222 5.743 851 HG3 LYS 21 1HG LYS 21 -20.106 -7.726 7.305 852 HD2 LYS 21 2HD LYS 21 -20.810 -5.414 7.493 853 HD3 LYS 21 1HD LYS 21 -19.056 -5.464 7.549 854 HE2 LYS 21 2HE LYS 21 -20.154 -5.217 4.817 855 HE3 LYS 21 1HE LYS 21 -20.524 -3.848 5.869 856 HZ1 LYS 21 3HZ LYS 21 -18.298 -3.934 4.558 857 HZ2 LYS 21 1HZ LYS 21 -17.794 -4.924 5.839 858 HZ3 LYS 21 2HZ LYS 21 -18.329 -3.342 6.149 859 H GLU 22 H GLU 22 -18.560 -8.135 2.835 860 HA GLU 22 HA GLU 22 -21.186 -9.399 2.308 861 HB2 GLU 22 2HB GLU 22 -20.264 -6.698 1.369 862 HB3 GLU 22 1HB GLU 22 -21.691 -7.520 0.745 863 HG2 GLU 22 2HG GLU 22 -21.213 -6.774 3.632 864 HG3 GLU 22 1HG GLU 22 -22.261 -5.898 2.529 865 H GLY 23 H GLY 23 -21.524 -10.207 0.219 866 HA2 GLY 23 2HA GLY 23 -20.928 -11.270 -1.730 867 HA3 GLY 23 1HA GLY 23 -19.866 -9.894 -1.995 868 H ASP 24 H ASP 24 -18.292 -11.204 -2.962 869 HA ASP 24 HA ASP 24 -17.133 -13.452 -1.615 870 HB2 ASP 24 2HB ASP 24 -16.186 -11.808 -3.959 871 HB3 ASP 24 1HB ASP 24 -15.371 -13.255 -3.381 872 H LYS 25 H LYS 25 -15.337 -13.589 -0.424 873 HA LYS 25 HA LYS 25 -14.530 -11.468 1.221 874 HB2 LYS 25 2HB LYS 25 -12.928 -13.914 0.514 875 HB3 LYS 25 1HB LYS 25 -12.792 -12.951 1.981 876 HG2 LYS 25 2HG LYS 25 -15.112 -13.611 2.616 877 HG3 LYS 25 1HG LYS 25 -15.217 -14.613 1.161 878 HD2 LYS 25 2HD LYS 25 -12.994 -15.678 2.031 879 HD3 LYS 25 1HD LYS 25 -13.466 -14.983 3.582 880 HE2 LYS 25 2HE LYS 25 -15.103 -16.850 1.876 881 HE3 LYS 25 1HE LYS 25 -14.320 -17.257 3.404 882 HZ1 LYS 25 3HZ LYS 25 -16.681 -16.755 3.701 883 HZ2 LYS 25 1HZ LYS 25 -16.440 -15.202 3.060 884 HZ3 LYS 25 2HZ LYS 25 -15.704 -15.638 4.529 885 H TYR 26 H TYR 26 -13.278 -12.713 -1.756 886 HA TYR 26 HA TYR 26 -10.946 -10.950 -1.610 887 HB2 TYR 26 2HB TYR 26 -11.621 -13.310 -3.367 888 HB3 TYR 26 1HB TYR 26 -10.114 -12.390 -3.452 889 HD1 TYR 26 2HD TYR 26 -8.513 -12.406 -1.616 890 HD2 TYR 26 1HD TYR 26 -12.103 -14.799 -1.413 891 HE1 TYR 26 2HE TYR 26 -7.568 -13.681 0.285 892 HE2 TYR 26 1HE TYR 26 -11.133 -16.062 0.475 893 HH TYR 26 HH TYR 26 -9.453 -15.738 2.229 894 H LYS 27 H LYS 27 -13.893 -10.203 -2.530 895 HA LYS 27 HA LYS 27 -12.863 -8.643 -4.796 896 HB2 LYS 27 2HB LYS 27 -13.995 -10.809 -5.653 897 HB3 LYS 27 1HB LYS 27 -15.493 -10.056 -5.125 898 HG2 LYS 27 2HG LYS 27 -15.308 -9.536 -7.394 899 HG3 LYS 27 1HG LYS 27 -14.862 -8.075 -6.524 900 HD2 LYS 27 2HD LYS 27 -12.508 -8.474 -6.969 901 HD3 LYS 27 1HD LYS 27 -12.859 -10.071 -7.618 902 HE2 LYS 27 2HE LYS 27 -14.226 -8.958 -9.404 903 HE3 LYS 27 1HE LYS 27 -13.682 -7.400 -8.785 904 HZ1 LYS 27 3HZ LYS 27 -12.332 -9.188 -10.498 905 HZ2 LYS 27 1HZ LYS 27 -11.423 -8.980 -9.081 906 HZ3 LYS 27 2HZ LYS 27 -11.869 -7.629 -10.009 907 H LEU 28 H LEU 28 -13.825 -6.592 -4.985 908 HA LEU 28 HA LEU 28 -15.709 -5.982 -2.795 909 HB2 LEU 28 2HB LEU 28 -13.219 -5.156 -2.927 910 HB3 LEU 28 1HB LEU 28 -13.858 -4.011 -4.073 911 HG LEU 28 HG LEU 28 -15.405 -3.098 -2.401 912 HD11 LEU 28 1HD1 LEU 28 -15.987 -4.710 -0.807 913 HD12 LEU 28 2HD1 LEU 28 -14.736 -3.853 0.076 914 HD13 LEU 28 3HD1 LEU 28 -14.354 -5.373 -0.720 915 HD21 LEU 28 3HD2 LEU 28 -12.984 -2.298 -2.615 916 HD22 LEU 28 1HD2 LEU 28 -12.607 -3.318 -1.227 917 HD23 LEU 28 2HD2 LEU 28 -13.724 -1.976 -1.040 918 H SER 29 H SER 29 -17.618 -5.039 -3.277 919 HA SER 29 HA SER 29 -18.184 -4.325 -6.076 920 HB2 SER 29 2HB SER 29 -19.616 -6.047 -4.993 921 HB3 SER 29 1HB SER 29 -20.114 -4.846 -3.806 922 HG SER 29 HG SER 29 -20.661 -5.007 -6.555 923 H LYS 30 H LYS 30 -19.601 -2.446 -6.482 924 HA LYS 30 HA LYS 30 -18.588 -0.061 -5.520 925 HB2 LYS 30 2HB LYS 30 -20.131 -0.282 -7.475 926 HB3 LYS 30 1HB LYS 30 -21.455 -0.509 -6.339 927 HG2 LYS 30 2HG LYS 30 -20.885 1.714 -5.310 928 HG3 LYS 30 1HG LYS 30 -19.676 1.933 -6.572 929 HD2 LYS 30 2HD LYS 30 -21.695 3.058 -7.269 930 HD3 LYS 30 1HD LYS 30 -21.499 1.621 -8.276 931 HE2 LYS 30 2HE LYS 30 -23.317 0.565 -7.350 932 HE3 LYS 30 1HE LYS 30 -23.039 1.242 -5.740 933 HZ1 LYS 30 3HZ LYS 30 -24.516 2.352 -8.008 934 HZ2 LYS 30 1HZ LYS 30 -23.663 3.446 -7.031 935 HZ3 LYS 30 2HZ LYS 30 -24.847 2.440 -6.343 936 H LYS 31 H LYS 31 -21.494 -1.782 -4.451 937 HA LYS 31 HA LYS 31 -22.286 0.135 -2.582 938 HB2 LYS 31 2HB LYS 31 -23.701 -1.601 -1.643 939 HB3 LYS 31 1HB LYS 31 -23.708 -1.744 -3.402 940 HG2 LYS 31 2HG LYS 31 -21.929 -3.490 -3.222 941 HG3 LYS 31 1HG LYS 31 -22.066 -3.389 -1.469 942 HD2 LYS 31 2HD LYS 31 -23.408 -5.237 -2.180 943 HD3 LYS 31 1HD LYS 31 -24.501 -3.947 -1.684 944 HE2 LYS 31 2HE LYS 31 -23.670 -4.068 -4.561 945 HE3 LYS 31 1HE LYS 31 -24.861 -5.233 -3.987 946 HZ1 LYS 31 3HZ LYS 31 -25.232 -2.521 -4.604 947 HZ2 LYS 31 1HZ LYS 31 -25.548 -2.739 -2.952 948 HZ3 LYS 31 2HZ LYS 31 -26.389 -3.661 -4.106 949 H GLU 32 H GLU 32 -20.140 -2.700 -2.293 950 HA GLU 32 HA GLU 32 -19.791 -2.460 0.525 951 HB2 GLU 32 2HB GLU 32 -17.996 -3.745 -1.545 952 HB3 GLU 32 1HB GLU 32 -17.877 -3.971 0.198 953 HG2 GLU 32 2HG GLU 32 -20.210 -4.837 0.205 954 HG3 GLU 32 1HG GLU 32 -20.229 -4.718 -1.545 955 H LEU 33 H LEU 33 -17.573 -1.561 -2.186 956 HA LEU 33 HA LEU 33 -15.631 -0.460 -0.492 957 HB2 LEU 33 2HB LEU 33 -14.760 0.769 -2.445 958 HB3 LEU 33 1HB LEU 33 -15.021 -0.928 -2.747 959 HG LEU 33 HG LEU 33 -17.423 0.008 -3.559 960 HD11 LEU 33 1HD1 LEU 33 -15.453 2.125 -4.490 961 HD12 LEU 33 2HD1 LEU 33 -16.572 2.391 -3.147 962 HD13 LEU 33 3HD1 LEU 33 -17.191 2.074 -4.762 963 HD21 LEU 33 3HD2 LEU 33 -14.803 -0.514 -4.949 964 HD22 LEU 33 1HD2 LEU 33 -16.147 0.099 -5.907 965 HD23 LEU 33 2HD2 LEU 33 -16.304 -1.428 -5.032 966 H LYS 34 H LYS 34 -18.522 0.980 -1.894 967 HA LYS 34 HA LYS 34 -17.894 3.621 -1.231 968 HB2 LYS 34 2HB LYS 34 -19.913 2.929 -2.535 969 HB3 LYS 34 1HB LYS 34 -20.616 2.301 -1.047 970 HG2 LYS 34 2HG LYS 34 -21.542 4.473 -1.271 971 HG3 LYS 34 1HG LYS 34 -20.256 4.662 -0.080 972 HD2 LYS 34 2HD LYS 34 -18.751 5.567 -1.750 973 HD3 LYS 34 1HD LYS 34 -19.888 5.194 -3.037 974 HE2 LYS 34 2HE LYS 34 -20.482 7.389 -2.758 975 HE3 LYS 34 1HE LYS 34 -21.458 6.743 -1.437 976 HZ1 LYS 34 3HZ LYS 34 -20.280 8.305 -0.317 977 HZ2 LYS 34 1HZ LYS 34 -18.934 8.212 -1.344 978 HZ3 LYS 34 2HZ LYS 34 -19.187 7.014 -0.165 979 H GLU 35 H GLU 35 -19.082 0.894 0.713 980 HA GLU 35 HA GLU 35 -19.486 2.534 3.049 981 HB2 GLU 35 2HB GLU 35 -19.353 -0.461 2.693 982 HB3 GLU 35 1HB GLU 35 -19.758 0.352 4.205 983 HG2 GLU 35 2HG GLU 35 -21.634 1.504 3.083 984 HG3 GLU 35 1HG GLU 35 -21.259 0.642 1.595 985 H LEU 36 H LEU 36 -16.833 0.389 1.932 986 HA LEU 36 HA LEU 36 -15.398 0.446 4.380 987 HB2 LEU 36 2HB LEU 36 -15.036 -1.075 2.321 988 HB3 LEU 36 1HB LEU 36 -14.074 0.246 1.674 989 HG LEU 36 HG LEU 36 -13.553 -1.146 4.346 990 HD11 LEU 36 1HD1 LEU 36 -12.172 -2.591 3.302 991 HD12 LEU 36 2HD1 LEU 36 -11.553 -1.371 2.192 992 HD13 LEU 36 3HD1 LEU 36 -13.074 -2.185 1.842 993 HD21 LEU 36 3HD2 LEU 36 -12.566 0.914 4.658 994 HD22 LEU 36 1HD2 LEU 36 -12.300 1.184 2.941 995 HD23 LEU 36 2HD2 LEU 36 -11.258 0.084 3.833 996 H LEU 37 H LEU 37 -15.107 2.557 1.451 997 HA LEU 37 HA LEU 37 -12.950 4.063 2.539 998 HB2 LEU 37 2HB LEU 37 -14.964 4.727 0.398 999 HB3 LEU 37 1HB LEU 37 -13.742 5.880 0.913 1000 HG LEU 37 HG LEU 37 -13.184 4.399 -1.123 1001 HD11 LEU 37 1HD1 LEU 37 -11.175 4.142 1.121 1002 HD12 LEU 37 2HD1 LEU 37 -11.542 5.702 0.381 1003 HD13 LEU 37 3HD1 LEU 37 -10.874 4.398 -0.597 1004 HD21 LEU 37 3HD2 LEU 37 -12.553 2.371 1.009 1005 HD22 LEU 37 1HD2 LEU 37 -12.474 2.166 -0.736 1006 HD23 LEU 37 2HD2 LEU 37 -14.030 2.318 0.064 1007 H GLN 38 H GLN 38 -16.478 4.583 2.636 1008 HA GLN 38 HA GLN 38 -16.349 7.069 3.974 1009 HB2 GLN 38 2HB GLN 38 -18.515 4.961 3.949 1010 HB3 GLN 38 1HB GLN 38 -18.700 6.558 4.674 1011 HG2 GLN 38 2HG GLN 38 -18.241 7.623 2.516 1012 HG3 GLN 38 1HG GLN 38 -17.976 6.050 1.768 1013 HE21 GLN 38 1HE2 GLN 38 -20.045 7.901 0.910 1014 HE22 GLN 38 2HE2 GLN 38 -21.543 7.165 1.214 1015 H THR 39 H THR 39 -16.399 3.742 5.170 1016 HA THR 39 HA THR 39 -16.639 4.487 7.915 1017 HB THR 39 HB THR 39 -16.060 2.160 8.392 1018 HG1 THR 39 1HG THR 39 -15.566 0.817 6.583 1019 HG21 THR 39 3HG2 THR 39 -17.731 1.231 6.425 1020 HG22 THR 39 1HG2 THR 39 -18.122 2.950 6.429 1021 HG23 THR 39 2HG2 THR 39 -18.276 2.008 7.910 1022 H GLU 40 H GLU 40 -13.909 3.982 5.735 1023 HA GLU 40 HA GLU 40 -12.071 4.395 8.000 1024 HB2 GLU 40 2HB GLU 40 -11.592 3.430 5.186 1025 HB3 GLU 40 1HB GLU 40 -10.324 3.725 6.366 1026 HG2 GLU 40 2HG GLU 40 -12.637 1.811 6.759 1027 HG3 GLU 40 1HG GLU 40 -10.999 1.337 6.315 1028 H LEU 41 H LEU 41 -12.229 5.521 4.581 1029 HA LEU 41 HA LEU 41 -10.782 7.937 5.434 1030 HB2 LEU 41 2HB LEU 41 -11.418 7.007 2.629 1031 HB3 LEU 41 1HB LEU 41 -10.365 8.340 3.071 1032 HG LEU 41 HG LEU 41 -9.899 5.398 3.653 1033 HD11 LEU 41 1HD1 LEU 41 -9.484 6.564 1.319 1034 HD12 LEU 41 2HD1 LEU 41 -8.266 5.480 1.987 1035 HD13 LEU 41 3HD1 LEU 41 -8.067 7.227 2.126 1036 HD21 LEU 41 3HD2 LEU 41 -8.484 7.891 4.608 1037 HD22 LEU 41 1HD2 LEU 41 -7.581 6.399 4.360 1038 HD23 LEU 41 2HD2 LEU 41 -8.899 6.434 5.523 1039 H SER 42 H SER 42 -11.524 9.983 5.221 1040 HA SER 42 HA SER 42 -14.382 10.230 4.451 1041 HB2 SER 42 2HB SER 42 -13.632 10.680 6.887 1042 HB3 SER 42 1HB SER 42 -12.938 12.166 6.241 1043 HG SER 42 HG SER 42 -14.934 12.834 5.636 1044 H GLY 43 H GLY 43 -11.437 12.231 4.695 1045 HA2 GLY 43 2HA GLY 43 -12.278 14.282 3.012 1046 HA3 GLY 43 1HA GLY 43 -10.603 13.887 3.356 1047 H PHE 44 H PHE 44 -10.541 11.277 2.101 1048 HA PHE 44 HA PHE 44 -9.959 12.096 -0.529 1049 HB2 PHE 44 2HB PHE 44 -10.315 9.356 0.674 1050 HB3 PHE 44 1HB PHE 44 -9.793 9.618 -0.993 1051 HD1 PHE 44 1HD PHE 44 -7.647 10.701 -1.493 1052 HD2 PHE 44 2HD PHE 44 -8.861 9.932 2.553 1053 HE1 PHE 44 1HE PHE 44 -5.329 11.115 -0.717 1054 HE2 PHE 44 2HE PHE 44 -6.544 10.340 3.328 1055 HZ PHE 44 HZ PHE 44 -4.777 10.932 1.693 1056 H LEU 45 H LEU 45 -12.699 10.054 0.586 1057 HA LEU 45 HA LEU 45 -13.911 10.126 -2.026 1058 HB2 LEU 45 2HB LEU 45 -14.539 8.866 0.573 1059 HB3 LEU 45 1HB LEU 45 -15.952 9.333 -0.367 1060 HG LEU 45 HG LEU 45 -15.075 6.990 -0.830 1061 HD11 LEU 45 1HD1 LEU 45 -14.883 7.937 -3.486 1062 HD12 LEU 45 2HD1 LEU 45 -15.902 9.114 -2.647 1063 HD13 LEU 45 3HD1 LEU 45 -16.338 7.403 -2.649 1064 HD21 LEU 45 3HD2 LEU 45 -12.998 8.026 -2.662 1065 HD22 LEU 45 1HD2 LEU 45 -12.963 6.629 -1.589 1066 HD23 LEU 45 2HD2 LEU 45 -12.598 8.230 -0.953 1067 H ASP 46 H ASP 46 -14.396 11.867 0.971 1068 HA ASP 46 HA ASP 46 -16.745 13.194 0.243 1069 HB2 ASP 46 2HB ASP 46 -15.810 13.128 2.551 1070 HB3 ASP 46 1HB ASP 46 -14.557 14.259 2.043 1071 H ALA 47 H ALA 47 -13.417 13.804 -0.581 1072 HA ALA 47 HA ALA 47 -13.507 16.478 -1.304 1073 HB1 ALA 47 1HB ALA 47 -11.418 15.268 -1.212 1074 HB2 ALA 47 2HB ALA 47 -11.622 15.924 -2.836 1075 HB3 ALA 47 3HB ALA 47 -11.926 14.214 -2.532 1076 H GLN 48 H GLN 48 -14.770 13.691 -3.089 1077 HA GLN 48 HA GLN 48 -15.186 15.385 -5.453 1078 HB2 GLN 48 2HB GLN 48 -16.014 12.514 -5.002 1079 HB3 GLN 48 1HB GLN 48 -15.944 13.377 -6.542 1080 HG2 GLN 48 2HG GLN 48 -13.599 12.689 -4.749 1081 HG3 GLN 48 1HG GLN 48 -13.961 11.988 -6.327 1082 HE21 GLN 48 1HE2 GLN 48 -11.888 14.124 -4.968 1083 HE22 GLN 48 2HE2 GLN 48 -11.680 15.206 -6.262 1084 H LYS 49 H LYS 49 -16.927 16.608 -5.580 1085 HA LYS 49 HA LYS 49 -19.068 16.546 -3.773 1086 HB2 LYS 49 2HB LYS 49 -18.349 18.546 -5.028 1087 HB3 LYS 49 1HB LYS 49 -18.992 17.827 -6.503 1088 HG2 LYS 49 2HG LYS 49 -21.240 17.717 -5.447 1089 HG3 LYS 49 1HG LYS 49 -20.583 18.501 -4.011 1090 HD2 LYS 49 2HD LYS 49 -19.883 20.430 -5.454 1091 HD3 LYS 49 1HD LYS 49 -20.715 19.662 -6.808 1092 HE2 LYS 49 2HE LYS 49 -22.747 19.583 -5.126 1093 HE3 LYS 49 1HE LYS 49 -21.872 20.891 -4.327 1094 HZ1 LYS 49 3HZ LYS 49 -21.798 22.054 -6.472 1095 HZ2 LYS 49 1HZ LYS 49 -23.387 21.795 -5.935 1096 HZ3 LYS 49 2HZ LYS 49 -22.738 20.821 -7.167 1097 H ASP 50 H ASP 50 -18.853 15.195 -7.051 1098 HA ASP 50 HA ASP 50 -21.623 14.627 -7.249 1099 HB2 ASP 50 2HB ASP 50 -19.271 13.448 -8.720 1100 HB3 ASP 50 1HB ASP 50 -20.962 13.125 -9.110 1101 H VAL 51 H VAL 51 -22.807 12.816 -6.923 1102 HA VAL 51 HA VAL 51 -21.903 10.959 -4.919 1103 HB VAL 51 HB VAL 51 -24.097 10.030 -5.011 1104 HG11 VAL 51 1HG1 VAL 51 -23.699 12.620 -4.422 1105 HG12 VAL 51 2HG1 VAL 51 -25.295 11.872 -4.352 1106 HG13 VAL 51 3HG1 VAL 51 -24.829 12.822 -5.762 1107 HG21 VAL 51 3HG2 VAL 51 -24.362 9.648 -7.373 1108 HG22 VAL 51 1HG2 VAL 51 -24.303 11.374 -7.723 1109 HG23 VAL 51 2HG2 VAL 51 -25.686 10.697 -6.870 1110 H ASP 52 H ASP 52 -22.109 11.093 -8.362 1111 HA ASP 52 HA ASP 52 -21.795 8.271 -8.850 1112 HB2 ASP 52 2HB ASP 52 -21.467 10.700 -10.629 1113 HB3 ASP 52 1HB ASP 52 -21.335 9.037 -11.196 1114 H ALA 53 H ALA 53 -19.828 10.540 -7.555 1115 HA ALA 53 HA ALA 53 -17.379 10.310 -8.864 1116 HB1 ALA 53 1HB ALA 53 -17.890 10.549 -5.892 1117 HB2 ALA 53 2HB ALA 53 -17.832 11.896 -7.031 1118 HB3 ALA 53 3HB ALA 53 -16.384 10.931 -6.726 1119 H VAL 54 H VAL 54 -18.937 8.174 -6.496 1120 HA VAL 54 HA VAL 54 -16.739 6.470 -6.016 1121 HB VAL 54 HB VAL 54 -18.933 6.462 -4.764 1122 HG11 VAL 54 1HG1 VAL 54 -20.842 5.398 -5.697 1123 HG12 VAL 54 2HG1 VAL 54 -19.910 4.709 -7.025 1124 HG13 VAL 54 3HG1 VAL 54 -20.254 6.436 -6.994 1125 HG21 VAL 54 3HG2 VAL 54 -19.034 3.880 -4.737 1126 HG22 VAL 54 1HG2 VAL 54 -17.494 4.633 -4.320 1127 HG23 VAL 54 2HG2 VAL 54 -17.739 3.949 -5.929 1128 H ASP 55 H ASP 55 -19.298 6.402 -8.476 1129 HA ASP 55 HA ASP 55 -18.513 4.010 -9.746 1130 HB2 ASP 55 2HB ASP 55 -19.917 6.468 -10.778 1131 HB3 ASP 55 1HB ASP 55 -19.724 4.994 -11.726 1132 H LYS 56 H LYS 56 -17.582 7.391 -10.169 1133 HA LYS 56 HA LYS 56 -15.909 7.001 -12.417 1134 HB2 LYS 56 2HB LYS 56 -15.782 9.059 -10.197 1135 HB3 LYS 56 1HB LYS 56 -14.847 9.138 -11.692 1136 HG2 LYS 56 2HG LYS 56 -16.982 9.072 -12.984 1137 HG3 LYS 56 1HG LYS 56 -17.871 9.122 -11.462 1138 HD2 LYS 56 2HD LYS 56 -16.727 11.271 -10.910 1139 HD3 LYS 56 1HD LYS 56 -15.964 11.237 -12.500 1140 HE2 LYS 56 2HE LYS 56 -18.316 11.067 -13.477 1141 HE3 LYS 56 1HE LYS 56 -18.912 11.460 -11.864 1142 HZ1 LYS 56 3HZ LYS 56 -18.209 13.264 -13.746 1143 HZ2 LYS 56 1HZ LYS 56 -16.814 13.200 -12.783 1144 HZ3 LYS 56 2HZ LYS 56 -18.314 13.581 -12.079 1145 H VAL 57 H VAL 57 -15.383 6.729 -8.941 1146 HA VAL 57 HA VAL 57 -12.576 6.443 -9.001 1147 HB VAL 57 HB VAL 57 -14.634 5.506 -6.999 1148 HG11 VAL 57 1HG1 VAL 57 -12.529 5.493 -5.489 1149 HG12 VAL 57 2HG1 VAL 57 -11.620 5.391 -6.996 1150 HG13 VAL 57 3HG1 VAL 57 -12.770 4.123 -6.572 1151 HG21 VAL 57 3HG2 VAL 57 -14.261 7.520 -5.897 1152 HG22 VAL 57 1HG2 VAL 57 -14.064 8.038 -7.572 1153 HG23 VAL 57 2HG2 VAL 57 -12.646 7.714 -6.579 1154 H MET 58 H MET 58 -15.157 3.921 -8.955 1155 HA MET 58 HA MET 58 -13.258 1.810 -8.831 1156 HB2 MET 58 2HB MET 58 -15.176 0.369 -9.773 1157 HB3 MET 58 1HB MET 58 -15.345 1.079 -8.170 1158 HG2 MET 58 2HG MET 58 -16.925 2.622 -8.876 1159 HG3 MET 58 1HG MET 58 -16.344 2.598 -10.540 1160 HE1 MET 58 3HE MET 58 -18.418 -1.068 -8.661 1161 HE2 MET 58 1HE MET 58 -17.856 0.329 -7.734 1162 HE3 MET 58 2HE MET 58 -16.702 -0.723 -8.552 1163 H LYS 59 H LYS 59 -14.648 3.451 -11.650 1164 HA LYS 59 HA LYS 59 -13.934 1.505 -13.539 1165 HB2 LYS 59 2HB LYS 59 -14.033 4.501 -13.944 1166 HB3 LYS 59 1HB LYS 59 -13.963 3.301 -15.234 1167 HG2 LYS 59 2HG LYS 59 -16.176 3.465 -13.193 1168 HG3 LYS 59 1HG LYS 59 -16.248 4.080 -14.840 1169 HD2 LYS 59 2HD LYS 59 -15.382 1.560 -15.356 1170 HD3 LYS 59 1HD LYS 59 -16.272 1.264 -13.861 1171 HE2 LYS 59 2HE LYS 59 -18.188 2.555 -14.891 1172 HE3 LYS 59 1HE LYS 59 -17.273 2.504 -16.400 1173 HZ1 LYS 59 3HZ LYS 59 -18.743 0.665 -16.424 1174 HZ2 LYS 59 1HZ LYS 59 -18.328 0.210 -14.843 1175 HZ3 LYS 59 2HZ LYS 59 -17.198 0.034 -16.100 1176 H GLU 60 H GLU 60 -11.956 4.169 -12.225 1177 HA GLU 60 HA GLU 60 -9.742 3.706 -13.953 1178 HB2 GLU 60 2HB GLU 60 -10.062 5.773 -12.605 1179 HB3 GLU 60 1HB GLU 60 -9.716 4.846 -11.149 1180 HG2 GLU 60 2HG GLU 60 -7.503 4.227 -12.111 1181 HG3 GLU 60 1HG GLU 60 -7.848 5.255 -13.499 1182 H LEU 61 H LEU 61 -10.603 2.530 -10.757 1183 HA LEU 61 HA LEU 61 -8.220 1.073 -10.289 1184 HB2 LEU 61 2HB LEU 61 -10.956 0.659 -9.084 1185 HB3 LEU 61 1HB LEU 61 -9.451 0.010 -8.455 1186 HG LEU 61 HG LEU 61 -10.187 2.944 -8.654 1187 HD11 LEU 61 1HD1 LEU 61 -10.634 2.862 -6.395 1188 HD12 LEU 61 2HD1 LEU 61 -9.508 1.536 -6.106 1189 HD13 LEU 61 3HD1 LEU 61 -11.089 1.215 -6.816 1190 HD21 LEU 61 3HD2 LEU 61 -8.016 3.020 -7.174 1191 HD22 LEU 61 1HD2 LEU 61 -7.859 3.008 -8.918 1192 HD23 LEU 61 2HD2 LEU 61 -7.616 1.523 -7.986 1193 H ASP 62 H ASP 62 -11.252 0.222 -11.788 1194 HA ASP 62 HA ASP 62 -10.704 -2.578 -11.683 1195 HB2 ASP 62 2HB ASP 62 -12.972 -1.603 -11.705 1196 HB3 ASP 62 1HB ASP 62 -12.705 -1.092 -13.372 1197 H GLU 63 H GLU 63 -8.918 -3.218 -12.756 1198 HA GLU 63 HA GLU 63 -8.053 -2.338 -15.321 1199 HB2 GLU 63 2HB GLU 63 -6.553 -3.431 -13.764 1200 HB3 GLU 63 1HB GLU 63 -7.609 -4.847 -13.694 1201 HG2 GLU 63 2HG GLU 63 -7.232 -5.282 -16.056 1202 HG3 GLU 63 1HG GLU 63 -6.152 -3.871 -16.171 1203 H ASN 64 H ASN 64 -9.762 -5.065 -14.112 1204 HA ASN 64 HA ASN 64 -10.119 -6.624 -16.357 1205 HB2 ASN 64 2HB ASN 64 -11.756 -6.144 -13.932 1206 HB3 ASN 64 1HB ASN 64 -11.981 -7.545 -14.972 1207 HD21 ASN 64 1HD2 ASN 64 -9.322 -8.318 -15.419 1208 HD22 ASN 64 2HD2 ASN 64 -8.568 -8.678 -13.942 1209 H GLY 65 H GLY 65 -12.012 -3.866 -15.204 1210 HA2 GLY 65 2HA GLY 65 -13.522 -2.560 -16.452 1211 HA3 GLY 65 1HA GLY 65 -13.447 -3.757 -17.750 1212 H ASP 66 H ASP 66 -13.771 -5.029 -14.642 1213 HA ASP 66 HA ASP 66 -16.403 -6.098 -15.166 1214 HB2 ASP 66 2HB ASP 66 -15.933 -7.415 -13.150 1215 HB3 ASP 66 1HB ASP 66 -14.549 -7.455 -14.243 1216 H GLY 67 H GLY 67 -15.498 -3.172 -14.021 1217 HA2 GLY 67 2HA GLY 67 -16.556 -1.548 -12.771 1218 HA3 GLY 67 1HA GLY 67 -17.998 -2.556 -12.860 1219 H GLU 68 H GLU 68 -15.784 -4.558 -11.641 1220 HA GLU 68 HA GLU 68 -16.450 -3.894 -8.831 1221 HB2 GLU 68 2HB GLU 68 -17.415 -5.994 -9.842 1222 HB3 GLU 68 1HB GLU 68 -15.768 -6.599 -9.999 1223 HG2 GLU 68 2HG GLU 68 -15.452 -6.361 -7.566 1224 HG3 GLU 68 1HG GLU 68 -17.100 -5.773 -7.411 1225 H VAL 69 H VAL 69 -14.836 -3.881 -7.300 1226 HA VAL 69 HA VAL 69 -12.146 -3.578 -8.433 1227 HB VAL 69 HB VAL 69 -13.290 -2.724 -5.774 1228 HG11 VAL 69 1HG1 VAL 69 -10.807 -3.086 -5.783 1229 HG12 VAL 69 2HG1 VAL 69 -11.280 -1.413 -5.504 1230 HG13 VAL 69 3HG1 VAL 69 -10.698 -1.907 -7.091 1231 HG21 VAL 69 3HG2 VAL 69 -12.582 -1.074 -8.204 1232 HG22 VAL 69 1HG2 VAL 69 -13.388 -0.525 -6.735 1233 HG23 VAL 69 2HG2 VAL 69 -14.219 -1.624 -7.832 1234 H ASP 70 H ASP 70 -10.432 -4.828 -7.901 1235 HA ASP 70 HA ASP 70 -10.937 -7.110 -6.125 1236 HB2 ASP 70 2HB ASP 70 -10.148 -7.497 -8.474 1237 HB3 ASP 70 1HB ASP 70 -8.632 -6.718 -8.032 1238 H PHE 71 H PHE 71 -9.254 -7.844 -4.704 1239 HA PHE 71 HA PHE 71 -8.451 -6.021 -2.793 1240 HB2 PHE 71 2HB PHE 71 -8.505 -8.592 -2.775 1241 HB3 PHE 71 1HB PHE 71 -6.923 -8.526 -3.524 1242 HD1 PHE 71 1HD PHE 71 -6.592 -5.757 -1.539 1243 HD2 PHE 71 2HD PHE 71 -7.192 -9.985 -1.112 1244 HE1 PHE 71 1HE PHE 71 -5.543 -5.678 0.698 1245 HE2 PHE 71 2HE PHE 71 -6.151 -9.889 1.124 1246 HZ PHE 71 HZ PHE 71 -5.333 -7.742 2.023 1247 H GLN 72 H GLN 72 -6.554 -7.265 -5.578 1248 HA GLN 72 HA GLN 72 -4.162 -5.867 -4.956 1249 HB2 GLN 72 2HB GLN 72 -5.279 -6.764 -7.630 1250 HB3 GLN 72 1HB GLN 72 -3.636 -6.172 -7.380 1251 HG2 GLN 72 2HG GLN 72 -3.211 -7.981 -5.784 1252 HG3 GLN 72 1HG GLN 72 -4.851 -8.567 -5.964 1253 HE21 GLN 72 1HE2 GLN 72 -2.690 -10.266 -6.520 1254 HE22 GLN 72 2HE2 GLN 72 -2.627 -10.558 -8.186 1255 H GLU 73 H GLU 73 -7.023 -4.961 -6.861 1256 HA GLU 73 HA GLU 73 -6.044 -2.497 -7.846 1257 HB2 GLU 73 2HB GLU 73 -8.846 -3.439 -7.258 1258 HB3 GLU 73 1HB GLU 73 -8.465 -1.995 -8.183 1259 HG2 GLU 73 2HG GLU 73 -7.231 -3.420 -9.817 1260 HG3 GLU 73 1HG GLU 73 -7.712 -4.845 -8.900 1261 H TYR 74 H TYR 74 -7.872 -3.403 -4.971 1262 HA TYR 74 HA TYR 74 -8.304 -0.836 -3.853 1263 HB2 TYR 74 2HB TYR 74 -9.480 -2.927 -3.192 1264 HB3 TYR 74 1HB TYR 74 -7.987 -3.513 -2.466 1265 HD1 TYR 74 1HD TYR 74 -10.743 -1.098 -2.199 1266 HD2 TYR 74 2HD TYR 74 -7.108 -2.522 -0.410 1267 HE1 TYR 74 1HE TYR 74 -11.297 0.107 -0.106 1268 HE2 TYR 74 2HE TYR 74 -7.662 -1.306 1.681 1269 HH TYR 74 HH TYR 74 -10.296 0.958 1.835 1270 H VAL 75 H VAL 75 -5.809 -3.229 -3.554 1271 HA VAL 75 HA VAL 75 -4.288 -2.057 -1.509 1272 HB VAL 75 HB VAL 75 -4.078 -4.408 -3.119 1273 HG11 VAL 75 1HG1 VAL 75 -1.623 -4.472 -3.558 1274 HG12 VAL 75 2HG1 VAL 75 -1.581 -2.738 -3.324 1275 HG13 VAL 75 3HG1 VAL 75 -2.516 -3.414 -4.641 1276 HG21 VAL 75 3HG2 VAL 75 -2.479 -3.349 -0.788 1277 HG22 VAL 75 1HG2 VAL 75 -2.225 -4.955 -1.471 1278 HG23 VAL 75 2HG2 VAL 75 -3.790 -4.536 -0.772 1279 H VAL 76 H VAL 76 -3.962 -1.748 -5.078 1280 HA VAL 76 HA VAL 76 -1.796 0.097 -4.759 1281 HB VAL 76 HB VAL 76 -2.035 0.645 -7.096 1282 HG11 VAL 76 1HG1 VAL 76 -2.711 -2.289 -6.902 1283 HG12 VAL 76 2HG1 VAL 76 -1.188 -1.667 -6.261 1284 HG13 VAL 76 3HG1 VAL 76 -1.563 -1.490 -7.976 1285 HG21 VAL 76 3HG2 VAL 76 -3.896 -0.071 -8.440 1286 HG22 VAL 76 1HG2 VAL 76 -4.572 0.755 -7.038 1287 HG23 VAL 76 2HG2 VAL 76 -4.562 -0.999 -7.108 1288 H LEU 77 H LEU 77 -5.350 0.468 -4.865 1289 HA LEU 77 HA LEU 77 -5.390 3.266 -5.140 1290 HB2 LEU 77 2HB LEU 77 -7.463 2.023 -5.186 1291 HB3 LEU 77 1HB LEU 77 -7.205 1.439 -3.552 1292 HG LEU 77 HG LEU 77 -7.347 3.860 -2.763 1293 HD11 LEU 77 1HD1 LEU 77 -7.929 5.602 -4.117 1294 HD12 LEU 77 2HD1 LEU 77 -8.861 4.602 -5.210 1295 HD13 LEU 77 3HD1 LEU 77 -7.111 4.650 -5.343 1296 HD21 LEU 77 3HD2 LEU 77 -9.189 2.238 -2.567 1297 HD22 LEU 77 1HD2 LEU 77 -9.769 2.714 -4.163 1298 HD23 LEU 77 2HD2 LEU 77 -9.788 3.874 -2.836 1299 H VAL 78 H VAL 78 -5.264 1.387 -2.066 1300 HA VAL 78 HA VAL 78 -5.040 3.796 -0.546 1301 HB VAL 78 HB VAL 78 -4.408 2.425 1.379 1302 HG11 VAL 78 1HG1 VAL 78 -6.470 0.823 1.166 1303 HG12 VAL 78 2HG1 VAL 78 -6.739 1.690 -0.348 1304 HG13 VAL 78 3HG1 VAL 78 -6.699 2.573 1.181 1305 HG21 VAL 78 3HG2 VAL 78 -4.559 0.018 -0.465 1306 HG22 VAL 78 1HG2 VAL 78 -4.163 0.036 1.249 1307 HG23 VAL 78 2HG2 VAL 78 -3.044 0.731 0.087 1308 H ALA 79 H ALA 79 -2.607 1.626 -1.940 1309 HA ALA 79 HA ALA 79 -0.435 2.843 -0.509 1310 HB1 ALA 79 1HB ALA 79 0.914 1.422 -1.653 1311 HB2 ALA 79 2HB ALA 79 0.079 1.672 -3.191 1312 HB3 ALA 79 3HB ALA 79 -0.615 0.620 -1.969 1313 H ALA 80 H ALA 80 -1.662 3.342 -3.815 1314 HA ALA 80 HA ALA 80 0.184 5.356 -4.517 1315 HB1 ALA 80 1HB ALA 80 -1.583 5.962 -6.238 1316 HB2 ALA 80 2HB ALA 80 -2.583 4.692 -5.533 1317 HB3 ALA 80 3HB ALA 80 -1.029 4.286 -6.267 1318 H LEU 81 H LEU 81 -3.033 5.430 -2.979 1319 HA LEU 81 HA LEU 81 -3.123 8.276 -2.889 1320 HB2 LEU 81 2HB LEU 81 -4.665 6.103 -1.562 1321 HB3 LEU 81 1HB LEU 81 -4.712 7.713 -0.845 1322 HG LEU 81 HG LEU 81 -5.419 8.678 -3.004 1323 HD11 LEU 81 1HD1 LEU 81 -4.286 6.871 -4.407 1324 HD12 LEU 81 2HD1 LEU 81 -5.877 7.393 -4.943 1325 HD13 LEU 81 3HD1 LEU 81 -5.698 5.879 -4.078 1326 HD21 LEU 81 3HD2 LEU 81 -7.681 7.646 -3.140 1327 HD22 LEU 81 1HD2 LEU 81 -7.194 7.971 -1.480 1328 HD23 LEU 81 2HD2 LEU 81 -7.125 6.327 -2.115 1329 H THR 82 H THR 82 -1.657 5.816 -0.797 1330 HA THR 82 HA THR 82 -1.152 7.528 1.411 1331 HB THR 82 HB THR 82 0.540 5.223 0.423 1332 HG1 THR 82 1HG THR 82 -0.808 3.946 1.583 1333 HG21 THR 82 3HG2 THR 82 1.693 5.364 2.370 1334 HG22 THR 82 1HG2 THR 82 0.234 5.672 3.308 1335 HG23 THR 82 2HG2 THR 82 1.051 7.001 2.487 1336 H VAL 83 H VAL 83 0.939 6.690 -1.385 1337 HA VAL 83 HA VAL 83 3.006 8.490 -0.573 1338 HB VAL 83 HB VAL 83 3.468 6.710 -2.217 1339 HG11 VAL 83 1HG1 VAL 83 1.314 7.051 -3.519 1340 HG12 VAL 83 2HG1 VAL 83 2.745 6.837 -4.483 1341 HG13 VAL 83 3HG1 VAL 83 2.071 8.450 -4.259 1342 HG21 VAL 83 3HG2 VAL 83 4.669 9.061 -2.034 1343 HG22 VAL 83 1HG2 VAL 83 3.997 9.294 -3.649 1344 HG23 VAL 83 2HG2 VAL 83 5.091 7.946 -3.330 1345 H ALA 84 H ALA 84 0.159 8.925 -2.631 1346 HA ALA 84 HA ALA 84 0.802 11.552 -3.491 1347 HB1 ALA 84 1HB ALA 84 -1.954 10.379 -3.084 1348 HB2 ALA 84 2HB ALA 84 -0.949 10.062 -4.498 1349 HB3 ALA 84 3HB ALA 84 -1.505 11.702 -4.160 1350 H CYS 85 H CHC 85 -0.707 10.217 -0.640 1351 HA CYS 85 HA CHC 85 -1.778 12.591 0.444 1352 HB2 CYS 85 2HB CHC 85 -2.341 10.289 1.233 1353 HB3 CYS 85 1HB CHC 85 -0.729 10.175 1.937 1354 H ASN 86 H ASN 86 1.291 10.857 1.134 1355 HA ASN 86 HA ASN 86 2.308 12.841 2.854 1356 HB2 ASN 86 2HB ASN 86 3.335 10.560 2.389 1357 HB3 ASN 86 1HB ASN 86 4.004 11.261 0.916 1358 HD21 ASN 86 1HD2 ASN 86 6.069 12.108 1.192 1359 HD22 ASN 86 2HD2 ASN 86 6.689 12.709 2.653 1360 H ASN 87 H ASN 87 2.372 12.532 -0.693 1361 HA ASN 87 HA ASN 87 4.007 14.796 -1.235 1362 HB2 ASN 87 2HB ASN 87 1.747 13.591 -2.849 1363 HB3 ASN 87 1HB ASN 87 2.889 14.790 -3.447 1364 HD21 ASN 87 1HD2 ASN 87 4.591 12.895 -1.284 1365 HD22 ASN 87 2HD2 ASN 87 5.238 11.763 -2.370 1366 H PHE 88 H PHE 88 0.436 14.595 -0.726 1367 HA PHE 88 HA PHE 88 0.210 17.378 -1.322 1368 HB2 PHE 88 2HB PHE 88 -1.645 15.553 0.244 1369 HB3 PHE 88 1HB PHE 88 -2.002 17.247 -0.085 1370 HD1 PHE 88 1HD PHE 88 -1.891 18.015 -2.562 1371 HD2 PHE 88 2HD PHE 88 -2.210 13.911 -1.346 1372 HE1 PHE 88 1HE PHE 88 -2.761 17.416 -4.807 1373 HE2 PHE 88 2HE PHE 88 -3.062 13.308 -3.593 1374 HZ PHE 88 HZ PHE 88 -3.341 15.062 -5.324 1375 H PHE 89 H PHE 89 0.904 15.582 1.656 1376 HA PHE 89 HA PHE 89 0.531 17.761 3.424 1377 HB2 PHE 89 2HB PHE 89 0.741 15.397 4.142 1378 HB3 PHE 89 1HB PHE 89 2.453 15.445 3.719 1379 HD1 PHE 89 2HD PHE 89 -0.138 16.819 5.985 1380 HD2 PHE 89 1HD PHE 89 4.060 16.595 5.097 1381 HE1 PHE 89 2HE PHE 89 0.384 17.820 8.193 1382 HE2 PHE 89 1HE PHE 89 4.580 17.597 7.305 1383 HZ PHE 89 HZ PHE 89 2.743 18.210 8.853 1384 H TRP 90 H TRP 90 3.677 16.439 2.236 1385 HA TRP 90 HA TRP 90 5.119 18.762 3.113 1386 HB2 TRP 90 2HB TRP 90 6.240 16.592 2.823 1387 HB3 TRP 90 1HB TRP 90 5.971 16.702 1.078 1388 HD1 TRP 90 HD TRP 90 7.005 18.933 -0.129 1389 HE1 TRP 90 1HE TRP 90 9.189 20.179 0.332 1390 HE3 TRP 90 3HE TRP 90 8.001 17.197 4.561 1391 HZ2 TRP 90 2HZ TRP 90 11.143 20.404 2.425 1392 HZ3 TRP 90 3HZ TRP 90 10.035 17.941 5.766 1393 HH2 TRP 90 HH TRP 90 11.605 19.540 4.705 1394 H GLU 91 H GLU 91 3.922 17.649 0.031 1395 HA GLU 91 HA GLU 91 4.716 20.144 -1.283 1396 HB2 GLU 91 2HB GLU 91 3.823 17.452 -2.303 1397 HB3 GLU 91 1HB GLU 91 3.955 18.812 -3.346 1398 HG2 GLU 91 2HG GLU 91 6.359 19.030 -2.620 1399 HG3 GLU 91 1HG GLU 91 6.135 17.564 -1.666 1400 H ASN 92 H ASN 92 3.232 21.422 -2.421 1401 HA ASN 92 HA ASN 92 0.427 21.126 -1.539 1402 HB2 ASN 92 2HB ASN 92 1.952 23.536 -2.557 1403 HB3 ASN 92 1HB ASN 92 0.238 23.535 -2.143 1404 HD21 ASN 92 1HD2 ASN 92 2.100 25.199 -0.740 1405 HD22 ASN 92 2HD2 ASN 92 2.222 24.631 0.856 1406 H SER 93 H SER 93 -1.206 20.942 -2.987 1407 HA SER 93 HA SER 93 -2.238 20.429 -4.977 1408 HB2 SER 93 2HB SER 93 -0.302 22.338 -6.274 1409 HB3 SER 93 1HB SER 93 -1.975 22.005 -6.713 1410 HG SER 93 HG SER 93 -1.969 22.769 -4.192 1411 H1 HCS 201 1HT CHC 85 4.414 -14.741 3.676 1412 H2 HCS 201 2HT CHC 85 5.970 -14.787 4.355 1413 H HCS 201 3HT CHC 85 4.914 -13.512 4.732 1414 HCA HCS 201 HH CHC 85 4.964 -15.001 6.580 1415 HB2 HCS 201 1HZ CHC 85 2.578 -15.567 6.697 1416 HB3 HCS 201 2HZ CHC 85 2.434 -15.383 4.949 1417 HG2 HCS 201 1HE CHC 85 3.537 -13.105 6.562 1418 HG3 HCS 201 2HE CHC 85 1.796 -13.383 6.559 1419 H1 HCS 201 1HT CHC 85 -5.009 14.965 1.114 1420 H2 HCS 201 2HT CHC 85 -6.684 15.057 1.386 1421 H HCS 201 3HT CHC 85 -5.765 13.833 2.125 1422 HCA HCS 201 HH CHC 85 -6.247 15.487 3.760 1423 HB2 HCS 201 1HZ CHC 85 -3.956 16.088 4.403 1424 HB3 HCS 201 2HZ CHC 85 -3.391 15.745 2.767 1425 HG2 HCS 201 1HE CHC 85 -4.880 13.614 4.266 1426 HG3 HCS 201 2HE CHC 85 -3.188 13.909 4.661 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -12.510 4.550 12.451 2 HA2 GLY 1 2HA GLY 1 -12.562 3.362 9.737 3 HA3 GLY 1 1HA GLY 1 -13.266 4.942 10.075 4 H SER 2 H SER 2 -11.101 5.543 12.003 5 HA SER 2 HA SER 2 -9.318 6.850 10.210 6 HB2 SER 2 2HB SER 2 -8.213 7.657 12.192 7 HB3 SER 2 1HB SER 2 -9.949 7.685 12.490 8 HG SER 2 HG SER 2 -8.092 6.459 13.888 9 H GLU 3 H GLU 3 -9.406 3.677 11.462 10 HA GLU 3 HA GLU 3 -6.693 3.115 11.853 11 HB2 GLU 3 2HB GLU 3 -8.930 1.325 10.913 12 HB3 GLU 3 1HB GLU 3 -7.330 0.746 11.380 13 HG2 GLU 3 2HG GLU 3 -7.617 1.777 13.600 14 HG3 GLU 3 1HG GLU 3 -9.236 2.304 13.143 15 H LEU 4 H LEU 4 -8.580 3.004 8.790 16 HA LEU 4 HA LEU 4 -6.487 1.749 7.342 17 HB2 LEU 4 2HB LEU 4 -8.926 2.216 6.635 18 HB3 LEU 4 1HB LEU 4 -8.349 3.814 6.168 19 HG LEU 4 HG LEU 4 -7.034 1.260 5.204 20 HD11 LEU 4 1HD1 LEU 4 -9.464 1.299 4.577 21 HD12 LEU 4 2HD1 LEU 4 -8.353 1.292 3.210 22 HD13 LEU 4 3HD1 LEU 4 -9.153 2.787 3.682 23 HD21 LEU 4 3HD2 LEU 4 -5.597 2.630 4.206 24 HD22 LEU 4 1HD2 LEU 4 -6.445 4.048 4.809 25 HD23 LEU 4 2HD2 LEU 4 -6.905 3.341 3.269 26 H GLU 5 H GLU 5 -7.264 5.134 8.067 27 HA GLU 5 HA GLU 5 -5.083 6.253 6.628 28 HB2 GLU 5 2HB GLU 5 -6.768 7.348 8.882 29 HB3 GLU 5 1HB GLU 5 -5.480 8.271 8.109 30 HG2 GLU 5 2HG GLU 5 -7.845 7.050 6.661 31 HG3 GLU 5 1HG GLU 5 -7.706 8.750 7.102 32 H THR 6 H THR 6 -5.450 5.058 9.934 33 HA THR 6 HA THR 6 -3.030 6.083 10.946 34 HB THR 6 HB THR 6 -4.294 3.406 11.609 35 HG1 THR 6 1HG THR 6 -5.701 5.259 11.774 36 HG21 THR 6 3HG2 THR 6 -3.250 4.112 13.894 37 HG22 THR 6 1HG2 THR 6 -2.248 5.183 12.914 38 HG23 THR 6 2HG2 THR 6 -2.196 3.439 12.651 39 H ALA 7 H ALA 7 -3.835 3.185 9.122 40 HA ALA 7 HA ALA 7 -1.236 2.029 9.126 41 HB1 ALA 7 1HB ALA 7 -3.107 1.702 6.807 42 HB2 ALA 7 2HB ALA 7 -3.557 1.048 8.378 43 HB3 ALA 7 3HB ALA 7 -2.079 0.504 7.588 44 H MET 8 H MET 8 -2.926 4.139 6.804 45 HA MET 8 HA MET 8 -0.879 4.282 4.864 46 HB2 MET 8 2HB MET 8 -3.004 6.276 5.710 47 HB3 MET 8 1HB MET 8 -2.008 6.466 4.270 48 HG2 MET 8 2HG MET 8 -2.849 4.334 3.379 49 HG3 MET 8 1HG MET 8 -3.828 4.088 4.812 50 HE1 MET 8 3HE MET 8 -4.468 7.041 1.383 51 HE2 MET 8 1HE MET 8 -3.159 5.877 1.622 52 HE3 MET 8 2HE MET 8 -3.185 7.384 2.538 53 H GLU 9 H GLU 9 -1.478 6.175 7.794 54 HA GLU 9 HA GLU 9 0.670 7.994 7.443 55 HB2 GLU 9 2HB GLU 9 -0.798 7.107 9.932 56 HB3 GLU 9 1HB GLU 9 0.415 8.386 9.907 57 HG2 GLU 9 2HG GLU 9 -0.930 9.609 8.222 58 HG3 GLU 9 1HG GLU 9 -2.158 8.353 8.301 59 H THR 10 H THR 10 0.407 4.759 8.909 60 HA THR 10 HA THR 10 2.960 4.815 10.140 61 HB THR 10 HB THR 10 1.496 2.435 9.012 62 HG1 THR 10 1HG THR 10 0.419 3.865 10.617 63 HG21 THR 10 3HG2 THR 10 3.899 2.071 9.587 64 HG22 THR 10 1HG2 THR 10 2.809 1.155 10.631 65 HG23 THR 10 2HG2 THR 10 3.558 2.633 11.228 66 H LEU 11 H LEU 11 1.841 3.819 6.895 67 HA LEU 11 HA LEU 11 4.351 2.865 5.995 68 HB2 LEU 11 2HB LEU 11 2.264 4.281 4.320 69 HB3 LEU 11 1HB LEU 11 3.498 3.174 3.738 70 HG LEU 11 HG LEU 11 1.135 2.502 5.498 71 HD11 LEU 11 1HD1 LEU 11 1.842 1.327 2.825 72 HD12 LEU 11 2HD1 LEU 11 0.899 2.809 2.958 73 HD13 LEU 11 3HD1 LEU 11 0.288 1.309 3.657 74 HD21 LEU 11 3HD2 LEU 11 2.763 1.063 6.345 75 HD22 LEU 11 1HD2 LEU 11 3.585 0.914 4.783 76 HD23 LEU 11 2HD2 LEU 11 2.043 0.105 5.049 77 H ILE 12 H ILE 12 2.828 6.059 5.931 78 HA ILE 12 HA ILE 12 4.927 7.373 4.555 79 HB ILE 12 HB ILE 12 2.941 8.466 6.555 80 HG12 ILE 12 2HG1 ILE 12 2.955 8.639 3.531 81 HG13 ILE 12 1HG1 ILE 12 2.057 7.415 4.405 82 HG21 ILE 12 1HG2 ILE 12 3.499 10.657 5.451 83 HG22 ILE 12 2HG2 ILE 12 4.844 9.848 4.647 84 HG23 ILE 12 3HG2 ILE 12 4.818 9.980 6.406 85 HD11 ILE 12 3HD1 ILE 12 1.716 10.333 5.067 86 HD12 ILE 12 1HD1 ILE 12 0.591 9.002 5.341 87 HD13 ILE 12 2HD1 ILE 12 0.845 9.620 3.706 88 H ASN 13 H ASN 13 4.351 6.922 8.021 89 HA ASN 13 HA ASN 13 6.528 8.433 8.934 90 HB2 ASN 13 2HB ASN 13 5.103 6.088 10.182 91 HB3 ASN 13 1HB ASN 13 6.261 7.111 11.030 92 HD21 ASN 13 1HD2 ASN 13 3.535 6.957 11.881 93 HD22 ASN 13 2HD2 ASN 13 2.799 8.459 11.592 94 H VAL 14 H VAL 14 6.370 4.937 8.130 95 HA VAL 14 HA VAL 14 9.065 4.545 9.036 96 HB VAL 14 HB VAL 14 8.946 2.295 8.167 97 HG11 VAL 14 1HG1 VAL 14 7.307 1.503 9.614 98 HG12 VAL 14 2HG1 VAL 14 6.167 2.778 9.187 99 HG13 VAL 14 3HG1 VAL 14 7.549 3.144 10.218 100 HG21 VAL 14 3HG2 VAL 14 7.898 2.463 6.034 101 HG22 VAL 14 1HG2 VAL 14 6.481 3.260 6.704 102 HG23 VAL 14 2HG2 VAL 14 6.757 1.560 7.034 103 H PHE 15 H PHE 15 7.610 5.088 5.808 104 HA PHE 15 HA PHE 15 10.018 4.718 4.366 105 HB2 PHE 15 2HB PHE 15 7.852 4.877 3.229 106 HB3 PHE 15 1HB PHE 15 7.718 6.570 3.719 107 HD1 PHE 15 1HD PHE 15 9.973 4.202 1.891 108 HD2 PHE 15 2HD PHE 15 8.690 8.264 2.431 109 HE1 PHE 15 1HE PHE 15 11.371 4.908 -0.028 110 HE2 PHE 15 2HE PHE 15 10.079 8.963 0.503 111 HZ PHE 15 HZ PHE 15 11.423 7.282 -0.729 112 H HIS 16 H HIS 16 8.541 7.596 5.778 113 HA HIS 16 HA HIS 16 10.672 9.322 5.077 114 HB2 HIS 16 2HB HIS 16 8.407 10.152 5.680 115 HB3 HIS 16 1HB HIS 16 8.683 9.619 7.337 116 HD1 HIS 16 1HD HIS 16 10.489 11.818 4.780 117 HD2 HIS 16 2HD HIS 16 9.771 11.623 8.882 118 HE1 HIS 16 1HE HIS 16 11.559 13.878 5.793 119 HE2 HIS 16 2HE HIS 16 11.130 13.774 8.293 120 H ALA 17 H ALA 17 10.078 7.224 7.805 121 HA ALA 17 HA ALA 17 11.994 8.290 9.529 122 HB1 ALA 17 1HB ALA 17 11.359 5.341 9.095 123 HB2 ALA 17 2HB ALA 17 10.426 6.437 10.133 124 HB3 ALA 17 3HB ALA 17 12.098 6.062 10.533 125 H HIS 18 H HIS 18 12.333 5.668 7.113 126 HA HIS 18 HA HIS 18 15.212 5.718 7.562 127 HB2 HIS 18 2HB HIS 18 13.387 4.054 5.900 128 HB3 HIS 18 1HB HIS 18 15.112 4.061 5.529 129 HD1 HIS 18 1HD HIS 18 16.542 2.587 6.961 130 HD2 HIS 18 2HD HIS 18 12.924 3.482 8.830 131 HE1 HIS 18 1HE HIS 18 16.550 1.361 9.173 132 HE2 HIS 18 2HE HIS 18 14.350 1.883 10.320 133 H SER 19 H SER 19 13.146 6.658 4.777 134 HA SER 19 HA SER 19 15.278 7.385 3.110 135 HB2 SER 19 2HB SER 19 12.963 7.273 2.309 136 HB3 SER 19 1HB SER 19 12.556 8.686 3.282 137 HG SER 19 HG SER 19 13.523 8.675 0.861 138 H GLY 20 H GLY 20 13.474 9.268 5.519 139 HA2 GLY 20 2HA GLY 20 14.953 11.667 5.069 140 HA3 GLY 20 1HA GLY 20 13.866 11.368 6.408 141 H LYS 21 H LYS 21 15.064 9.107 7.553 142 HA LYS 21 HA LYS 21 17.024 10.282 9.189 143 HB2 LYS 21 2HB LYS 21 15.702 8.397 9.897 144 HB3 LYS 21 1HB LYS 21 16.468 7.358 8.691 145 HG2 LYS 21 2HG LYS 21 18.627 7.671 9.812 146 HG3 LYS 21 1HG LYS 21 17.870 8.756 10.983 147 HD2 LYS 21 2HD LYS 21 18.007 6.525 11.951 148 HD3 LYS 21 1HD LYS 21 16.320 6.903 11.633 149 HE2 LYS 21 2HE LYS 21 17.821 5.562 9.443 150 HE3 LYS 21 1HE LYS 21 17.470 4.586 10.866 151 HZ1 LYS 21 3HZ LYS 21 15.176 4.969 10.635 152 HZ2 LYS 21 1HZ LYS 21 15.728 4.587 9.077 153 HZ3 LYS 21 2HZ LYS 21 15.405 6.204 9.490 154 H GLU 22 H GLU 22 17.511 8.203 6.312 155 HA GLU 22 HA GLU 22 20.411 8.747 6.614 156 HB2 GLU 22 2HB GLU 22 19.054 6.337 5.424 157 HB3 GLU 22 1HB GLU 22 20.796 6.623 5.415 158 HG2 GLU 22 2HG GLU 22 20.762 6.772 7.888 159 HG3 GLU 22 1HG GLU 22 19.042 6.419 7.862 160 H GLY 23 H GLY 23 21.644 9.256 4.884 161 HA2 GLY 23 2HA GLY 23 22.175 10.287 2.907 162 HA3 GLY 23 1HA GLY 23 21.113 9.082 2.196 163 H ASP 24 H ASP 24 20.157 10.250 0.662 164 HA ASP 24 HA ASP 24 19.189 12.914 0.992 165 HB2 ASP 24 2HB ASP 24 18.615 10.803 -1.100 166 HB3 ASP 24 1HB ASP 24 18.052 12.471 -1.193 167 H LYS 25 H LYS 25 17.069 13.631 1.248 168 HA LYS 25 HA LYS 25 15.356 11.787 2.714 169 HB2 LYS 25 2HB LYS 25 14.903 14.710 2.025 170 HB3 LYS 25 1HB LYS 25 14.010 13.748 3.215 171 HG2 LYS 25 2HG LYS 25 16.222 13.364 4.437 172 HG3 LYS 25 1HG LYS 25 16.955 14.544 3.358 173 HD2 LYS 25 2HD LYS 25 14.560 15.082 5.143 174 HD3 LYS 25 1HD LYS 25 16.217 15.569 5.496 175 HE2 LYS 25 2HE LYS 25 14.392 16.566 3.313 176 HE3 LYS 25 1HE LYS 25 15.275 17.498 4.520 177 HZ1 LYS 25 3HZ LYS 25 17.346 16.840 3.453 178 HZ2 LYS 25 1HZ LYS 25 16.333 17.657 2.365 179 HZ3 LYS 25 2HZ LYS 25 16.482 15.967 2.279 180 H TYR 26 H TYR 26 13.200 11.303 2.101 181 HA TYR 26 HA TYR 26 11.525 10.719 0.657 182 HB2 TYR 26 2HB TYR 26 12.444 13.162 -0.868 183 HB3 TYR 26 1HB TYR 26 10.904 12.328 -1.079 184 HD1 TYR 26 2HD TYR 26 9.284 12.206 0.848 185 HD2 TYR 26 1HD TYR 26 12.781 14.699 0.928 186 HE1 TYR 26 2HE TYR 26 8.318 13.500 2.730 187 HE2 TYR 26 1HE TYR 26 11.816 15.992 2.812 188 HH TYR 26 HH TYR 26 10.007 15.380 4.720 189 H LYS 27 H LYS 27 14.534 10.055 0.084 190 HA LYS 27 HA LYS 27 13.903 8.637 -2.415 191 HB2 LYS 27 2HB LYS 27 15.364 10.744 -2.909 192 HB3 LYS 27 1HB LYS 27 16.640 9.875 -2.074 193 HG2 LYS 27 2HG LYS 27 16.951 9.348 -4.356 194 HG3 LYS 27 1HG LYS 27 16.132 7.937 -3.686 195 HD2 LYS 27 2HD LYS 27 14.017 8.588 -4.606 196 HD3 LYS 27 1HD LYS 27 14.576 10.210 -4.965 197 HE2 LYS 27 2HE LYS 27 16.344 8.736 -6.427 198 HE3 LYS 27 1HE LYS 27 14.911 7.705 -6.494 199 HZ1 LYS 27 3HZ LYS 27 13.849 9.151 -7.786 200 HZ2 LYS 27 1HZ LYS 27 15.369 9.847 -8.070 201 HZ3 LYS 27 2HZ LYS 27 14.350 10.496 -6.876 202 H LEU 28 H LEU 28 14.522 6.487 -2.195 203 HA LEU 28 HA LEU 28 16.043 5.869 0.267 204 HB2 LEU 28 2HB LEU 28 13.584 5.190 -0.147 205 HB3 LEU 28 1HB LEU 28 14.232 4.032 -1.262 206 HG LEU 28 HG LEU 28 15.496 2.904 0.499 207 HD11 LEU 28 1HD1 LEU 28 14.513 5.210 2.194 208 HD12 LEU 28 2HD1 LEU 28 16.099 4.435 2.179 209 HD13 LEU 28 3HD1 LEU 28 14.736 3.630 2.937 210 HD21 LEU 28 3HD2 LEU 28 12.580 3.423 1.218 211 HD22 LEU 28 1HD2 LEU 28 13.532 2.079 1.826 212 HD23 LEU 28 2HD2 LEU 28 13.164 2.193 0.101 213 H SER 29 H SER 29 18.004 4.912 0.092 214 HA SER 29 HA SER 29 18.858 3.969 -2.562 215 HB2 SER 29 2HB SER 29 21.118 4.252 -1.799 216 HB3 SER 29 1HB SER 29 20.224 5.705 -1.365 217 HG SER 29 HG SER 29 20.094 4.980 0.721 218 H LYS 30 H LYS 30 20.328 2.016 -2.574 219 HA LYS 30 HA LYS 30 18.998 -0.229 -1.652 220 HB2 LYS 30 2HB LYS 30 20.795 -0.223 -3.377 221 HB3 LYS 30 1HB LYS 30 21.969 -0.032 -2.075 222 HG2 LYS 30 2HG LYS 30 21.075 -2.146 -1.034 223 HG3 LYS 30 1HG LYS 30 20.047 -2.346 -2.452 224 HD2 LYS 30 2HD LYS 30 22.026 -3.655 -2.829 225 HD3 LYS 30 1HD LYS 30 22.136 -2.234 -3.870 226 HE2 LYS 30 2HE LYS 30 23.936 -1.397 -2.742 227 HE3 LYS 30 1HE LYS 30 23.284 -1.832 -1.155 228 HZ1 LYS 30 3HZ LYS 30 25.192 -3.155 -1.532 229 HZ2 LYS 30 1HZ LYS 30 24.689 -3.595 -3.091 230 HZ3 LYS 30 2HZ LYS 30 23.853 -4.181 -1.734 231 H LYS 31 H LYS 31 21.869 1.314 -0.243 232 HA LYS 31 HA LYS 31 22.178 -0.541 1.823 233 HB2 LYS 31 2HB LYS 31 23.628 1.098 2.873 234 HB3 LYS 31 1HB LYS 31 23.897 1.125 1.130 235 HG2 LYS 31 2HG LYS 31 22.322 3.053 0.960 236 HG3 LYS 31 1HG LYS 31 22.193 3.053 2.716 237 HD2 LYS 31 2HD LYS 31 23.823 4.699 2.144 238 HD3 LYS 31 1HD LYS 31 24.693 3.326 2.826 239 HE2 LYS 31 2HE LYS 31 25.540 2.664 0.750 240 HE3 LYS 31 1HE LYS 31 24.257 3.476 -0.147 241 HZ1 LYS 31 3HZ LYS 31 26.781 4.457 0.472 242 HZ2 LYS 31 1HZ LYS 31 25.678 5.365 1.384 243 HZ3 LYS 31 2HZ LYS 31 25.510 5.274 -0.305 244 H GLU 32 H GLU 32 20.346 2.511 1.656 245 HA GLU 32 HA GLU 32 19.572 2.533 4.386 246 HB2 GLU 32 2HB GLU 32 18.275 3.772 1.953 247 HB3 GLU 32 1HB GLU 32 17.824 4.125 3.622 248 HG2 GLU 32 2HG GLU 32 20.140 4.868 4.076 249 HG3 GLU 32 1HG GLU 32 20.559 4.560 2.400 250 H LEU 33 H LEU 33 17.807 1.333 1.449 251 HA LEU 33 HA LEU 33 15.558 0.584 2.994 252 HB2 LEU 33 2HB LEU 33 14.982 -1.021 1.133 253 HB3 LEU 33 1HB LEU 33 15.065 0.670 0.733 254 HG LEU 33 HG LEU 33 17.643 -0.118 0.182 255 HD11 LEU 33 1HD1 LEU 33 17.509 -2.188 -1.126 256 HD12 LEU 33 2HD1 LEU 33 15.788 -2.327 -0.808 257 HD13 LEU 33 3HD1 LEU 33 16.950 -2.527 0.508 258 HD21 LEU 33 3HD2 LEU 33 16.545 1.302 -1.358 259 HD22 LEU 33 1HD2 LEU 33 15.133 0.252 -1.465 260 HD23 LEU 33 2HD2 LEU 33 16.623 -0.212 -2.269 261 H LYS 34 H LYS 34 18.608 -0.996 2.302 262 HA LYS 34 HA LYS 34 17.895 -3.551 3.187 263 HB2 LYS 34 2HB LYS 34 20.154 -2.944 2.295 264 HB3 LYS 34 1HB LYS 34 20.476 -2.072 3.789 265 HG2 LYS 34 2HG LYS 34 21.482 -4.187 4.122 266 HG3 LYS 34 1HG LYS 34 19.955 -4.295 4.993 267 HD2 LYS 34 2HD LYS 34 18.929 -5.486 3.117 268 HD3 LYS 34 1HD LYS 34 20.395 -5.283 2.166 269 HE2 LYS 34 2HE LYS 34 19.761 -7.339 4.103 270 HE3 LYS 34 1HE LYS 34 21.152 -7.238 3.027 271 HZ1 LYS 34 3HZ LYS 34 22.379 -6.074 4.594 272 HZ2 LYS 34 1HZ LYS 34 21.561 -7.227 5.531 273 HZ3 LYS 34 2HZ LYS 34 21.011 -5.619 5.493 274 H GLU 35 H GLU 35 18.597 -0.546 4.956 275 HA GLU 35 HA GLU 35 18.485 -1.829 7.535 276 HB2 GLU 35 2HB GLU 35 18.390 1.077 6.711 277 HB3 GLU 35 1HB GLU 35 18.475 0.516 8.379 278 HG2 GLU 35 2HG GLU 35 20.507 -0.128 6.226 279 HG3 GLU 35 1HG GLU 35 20.717 1.084 7.487 280 H LEU 36 H LEU 36 16.176 0.139 5.622 281 HA LEU 36 HA LEU 36 14.210 0.329 7.659 282 HB2 LEU 36 2HB LEU 36 14.416 1.651 5.462 283 HB3 LEU 36 1HB LEU 36 13.622 0.287 4.696 284 HG LEU 36 HG LEU 36 12.473 2.134 6.842 285 HD11 LEU 36 1HD1 LEU 36 12.518 2.572 4.235 286 HD12 LEU 36 2HD1 LEU 36 11.063 2.890 5.180 287 HD13 LEU 36 3HD1 LEU 36 11.193 1.417 4.233 288 HD21 LEU 36 3HD2 LEU 36 10.369 0.690 6.424 289 HD22 LEU 36 1HD2 LEU 36 11.593 0.043 7.505 290 HD23 LEU 36 2HD2 LEU 36 11.473 -0.547 5.845 291 H LEU 37 H LEU 37 14.508 -2.046 4.952 292 HA LEU 37 HA LEU 37 12.112 -3.401 5.639 293 HB2 LEU 37 2HB LEU 37 14.545 -4.331 4.112 294 HB3 LEU 37 1HB LEU 37 13.133 -5.349 4.366 295 HG LEU 37 HG LEU 37 13.288 -3.962 2.168 296 HD11 LEU 37 1HD1 LEU 37 10.769 -3.708 3.833 297 HD12 LEU 37 2HD1 LEU 37 11.275 -5.190 3.022 298 HD13 LEU 37 3HD1 LEU 37 10.881 -3.758 2.074 299 HD21 LEU 37 3HD2 LEU 37 12.455 -1.707 2.284 300 HD22 LEU 37 1HD2 LEU 37 13.836 -1.832 3.356 301 HD23 LEU 37 2HD2 LEU 37 12.212 -1.828 4.023 302 H GLN 38 H GLN 38 15.490 -3.958 6.612 303 HA GLN 38 HA GLN 38 14.935 -6.310 8.084 304 HB2 GLN 38 2HB GLN 38 17.185 -4.315 8.322 305 HB3 GLN 38 1HB GLN 38 17.117 -5.837 9.213 306 HG2 GLN 38 2HG GLN 38 16.930 -7.064 7.063 307 HG3 GLN 38 1HG GLN 38 17.082 -5.543 6.194 308 HE21 GLN 38 1HE2 GLN 38 18.988 -5.148 8.880 309 HE22 GLN 38 2HE2 GLN 38 20.471 -5.688 8.256 310 H THR 39 H THR 39 14.940 -2.872 9.037 311 HA THR 39 HA THR 39 14.570 -3.461 11.810 312 HB THR 39 HB THR 39 13.980 -1.087 12.035 313 HG1 THR 39 1HG THR 39 14.485 -0.348 9.512 314 HG21 THR 39 3HG2 THR 39 16.272 -1.268 12.117 315 HG22 THR 39 1HG2 THR 39 16.120 -0.265 10.678 316 HG23 THR 39 2HG2 THR 39 16.386 -1.999 10.518 317 H GLU 40 H GLU 40 12.305 -2.762 9.154 318 HA GLU 40 HA GLU 40 10.047 -3.019 10.991 319 HB2 GLU 40 2HB GLU 40 10.185 -2.463 8.025 320 HB3 GLU 40 1HB GLU 40 8.691 -2.610 8.945 321 HG2 GLU 40 2HG GLU 40 10.879 -0.633 9.616 322 HG3 GLU 40 1HG GLU 40 9.465 -0.238 8.643 323 H LEU 41 H LEU 41 11.321 -4.685 8.112 324 HA LEU 41 HA LEU 41 9.591 -6.986 8.768 325 HB2 LEU 41 2HB LEU 41 11.042 -6.449 6.170 326 HB3 LEU 41 1HB LEU 41 9.847 -7.699 6.473 327 HG LEU 41 HG LEU 41 9.383 -4.706 6.391 328 HD11 LEU 41 1HD1 LEU 41 7.862 -6.738 4.801 329 HD12 LEU 41 2HD1 LEU 41 9.506 -6.358 4.303 330 HD13 LEU 41 3HD1 LEU 41 8.294 -5.080 4.382 331 HD21 LEU 41 3HD2 LEU 41 7.881 -5.316 8.074 332 HD22 LEU 41 1HD2 LEU 41 7.668 -6.946 7.427 333 HD23 LEU 41 2HD2 LEU 41 6.908 -5.573 6.628 334 H SER 42 H SER 42 10.390 -9.004 9.049 335 HA SER 42 HA SER 42 13.341 -9.215 9.200 336 HB2 SER 42 2HB SER 42 11.135 -10.330 10.890 337 HB3 SER 42 1HB SER 42 12.637 -11.237 10.739 338 HG SER 42 HG SER 42 13.679 -9.167 11.283 339 H GLY 43 H GLY 43 10.610 -11.475 9.011 340 HA2 GLY 43 2HA GLY 43 11.945 -13.501 7.646 341 HA3 GLY 43 1HA GLY 43 10.205 -13.309 7.715 342 H PHE 44 H PHE 44 10.079 -10.777 6.240 343 HA PHE 44 HA PHE 44 9.881 -11.834 3.652 344 HB2 PHE 44 2HB PHE 44 10.030 -8.977 4.606 345 HB3 PHE 44 1HB PHE 44 9.711 -9.417 2.930 346 HD1 PHE 44 1HD PHE 44 7.653 -10.587 2.291 347 HD2 PHE 44 2HD PHE 44 8.358 -9.399 6.368 348 HE1 PHE 44 1HE PHE 44 5.265 -10.977 2.825 349 HE2 PHE 44 2HE PHE 44 5.970 -9.788 6.890 350 HZ PHE 44 HZ PHE 44 4.423 -10.576 5.122 351 H LEU 45 H LEU 45 12.401 -9.564 4.857 352 HA LEU 45 HA LEU 45 13.923 -9.900 2.423 353 HB2 LEU 45 2HB LEU 45 14.107 -8.197 4.807 354 HB3 LEU 45 1HB LEU 45 15.679 -8.756 4.253 355 HG LEU 45 HG LEU 45 14.927 -6.582 3.193 356 HD11 LEU 45 1HD1 LEU 45 16.082 -7.124 1.299 357 HD12 LEU 45 2HD1 LEU 45 15.023 -8.477 0.909 358 HD13 LEU 45 3HD1 LEU 45 16.312 -8.682 2.095 359 HD21 LEU 45 3HD2 LEU 45 12.469 -7.813 2.974 360 HD22 LEU 45 1HD2 LEU 45 13.096 -7.985 1.330 361 HD23 LEU 45 2HD2 LEU 45 12.961 -6.388 2.063 362 H ASP 46 H ASP 46 14.072 -11.165 5.674 363 HA ASP 46 HA ASP 46 16.547 -12.458 5.493 364 HB2 ASP 46 2HB ASP 46 15.263 -12.101 7.604 365 HB3 ASP 46 1HB ASP 46 14.153 -13.373 7.097 366 H ALA 47 H ALA 47 13.411 -13.327 4.269 367 HA ALA 47 HA ALA 47 13.633 -16.071 4.003 368 HB1 ALA 47 1HB ALA 47 12.116 -15.728 1.971 369 HB2 ALA 47 2HB ALA 47 12.238 -14.003 2.319 370 HB3 ALA 47 3HB ALA 47 11.542 -15.097 3.514 371 H GLN 48 H GLN 48 15.215 -13.575 2.059 372 HA GLN 48 HA GLN 48 15.989 -15.568 0.058 373 HB2 GLN 48 2HB GLN 48 16.873 -12.694 0.328 374 HB3 GLN 48 1HB GLN 48 17.069 -13.736 -1.083 375 HG2 GLN 48 2HG GLN 48 14.456 -12.753 0.094 376 HG3 GLN 48 1HG GLN 48 15.166 -12.278 -1.449 377 HE21 GLN 48 1HE2 GLN 48 12.759 -14.171 -0.266 378 HE22 GLN 48 2HE2 GLN 48 12.740 -15.398 -1.443 379 H LYS 49 H LYS 49 17.691 -16.828 0.349 380 HA LYS 49 HA LYS 49 19.447 -16.636 2.527 381 HB2 LYS 49 2HB LYS 49 19.674 -18.203 -0.041 382 HB3 LYS 49 1HB LYS 49 20.733 -18.422 1.353 383 HG2 LYS 49 2HG LYS 49 18.719 -18.885 2.758 384 HG3 LYS 49 1HG LYS 49 17.723 -18.786 1.306 385 HD2 LYS 49 2HD LYS 49 19.091 -20.616 0.293 386 HD3 LYS 49 1HD LYS 49 19.963 -20.763 1.820 387 HE2 LYS 49 2HE LYS 49 17.749 -21.160 2.957 388 HE3 LYS 49 1HE LYS 49 17.004 -21.220 1.360 389 HZ1 LYS 49 3HZ LYS 49 17.482 -23.398 1.573 390 HZ2 LYS 49 1HZ LYS 49 18.751 -23.142 2.669 391 HZ3 LYS 49 2HZ LYS 49 19.008 -22.911 1.005 392 H ASP 50 H ASP 50 19.853 -15.506 -0.806 393 HA ASP 50 HA ASP 50 22.645 -15.051 -0.566 394 HB2 ASP 50 2HB ASP 50 20.627 -13.872 -2.470 395 HB3 ASP 50 1HB ASP 50 22.373 -13.630 -2.579 396 H VAL 51 H VAL 51 23.828 -13.267 -0.115 397 HA VAL 51 HA VAL 51 22.658 -11.282 1.610 398 HB VAL 51 HB VAL 51 24.871 -10.448 1.899 399 HG11 VAL 51 1HG1 VAL 51 25.591 -13.301 1.406 400 HG12 VAL 51 2HG1 VAL 51 24.242 -12.990 2.499 401 HG13 VAL 51 3HG1 VAL 51 25.830 -12.307 2.842 402 HG21 VAL 51 3HG2 VAL 51 25.587 -10.194 -0.392 403 HG22 VAL 51 1HG2 VAL 51 25.524 -11.934 -0.666 404 HG23 VAL 51 2HG2 VAL 51 26.747 -11.255 0.404 405 H ASP 52 H ASP 52 23.510 -11.565 -1.733 406 HA ASP 52 HA ASP 52 23.325 -8.729 -2.309 407 HB2 ASP 52 2HB ASP 52 23.551 -11.169 -4.089 408 HB3 ASP 52 1HB ASP 52 23.522 -9.509 -4.684 409 H ALA 53 H ALA 53 21.134 -10.926 -1.438 410 HA ALA 53 HA ALA 53 19.100 -10.895 -3.346 411 HB1 ALA 53 1HB ALA 53 19.114 -12.299 -1.312 412 HB2 ALA 53 2HB ALA 53 17.607 -11.397 -1.516 413 HB3 ALA 53 3HB ALA 53 18.808 -10.853 -0.343 414 H VAL 54 H VAL 54 19.944 -8.526 -0.832 415 HA VAL 54 HA VAL 54 17.664 -6.886 -1.116 416 HB VAL 54 HB VAL 54 19.435 -6.707 0.684 417 HG11 VAL 54 1HG1 VAL 54 20.915 -5.039 -1.361 418 HG12 VAL 54 2HG1 VAL 54 21.300 -6.741 -1.106 419 HG13 VAL 54 3HG1 VAL 54 21.487 -5.589 0.213 420 HG21 VAL 54 3HG2 VAL 54 19.441 -4.081 0.466 421 HG22 VAL 54 1HG2 VAL 54 17.911 -4.925 0.697 422 HG23 VAL 54 2HG2 VAL 54 18.386 -4.377 -0.914 423 H ASP 55 H ASP 55 20.799 -6.917 -2.787 424 HA ASP 55 HA ASP 55 20.353 -4.630 -4.376 425 HB2 ASP 55 2HB ASP 55 22.554 -5.821 -4.081 426 HB3 ASP 55 1HB ASP 55 21.949 -7.082 -5.154 427 H LYS 56 H LYS 56 19.641 -8.064 -4.842 428 HA LYS 56 HA LYS 56 18.628 -7.854 -7.469 429 HB2 LYS 56 2HB LYS 56 17.962 -9.807 -5.254 430 HB3 LYS 56 1HB LYS 56 17.471 -9.997 -6.939 431 HG2 LYS 56 2HG LYS 56 19.874 -9.893 -7.609 432 HG3 LYS 56 1HG LYS 56 20.316 -9.834 -5.904 433 HD2 LYS 56 2HD LYS 56 19.130 -12.004 -5.561 434 HD3 LYS 56 1HD LYS 56 18.831 -12.078 -7.299 435 HE2 LYS 56 2HE LYS 56 21.434 -12.307 -5.817 436 HE3 LYS 56 1HE LYS 56 20.795 -13.329 -7.104 437 HZ1 LYS 56 3HZ LYS 56 20.983 -11.232 -8.527 438 HZ2 LYS 56 1HZ LYS 56 22.412 -12.064 -8.150 439 HZ3 LYS 56 2HZ LYS 56 22.008 -10.646 -7.306 440 H VAL 57 H VAL 57 17.089 -7.484 -4.299 441 HA VAL 57 HA VAL 57 14.425 -7.312 -5.235 442 HB VAL 57 HB VAL 57 15.734 -6.229 -2.734 443 HG11 VAL 57 1HG1 VAL 57 13.233 -6.280 -1.980 444 HG12 VAL 57 2HG1 VAL 57 12.886 -6.183 -3.706 445 HG13 VAL 57 3HG1 VAL 57 13.809 -4.904 -2.919 446 HG21 VAL 57 3HG2 VAL 57 14.910 -8.177 -1.666 447 HG22 VAL 57 1HG2 VAL 57 15.542 -8.770 -3.205 448 HG23 VAL 57 2HG2 VAL 57 13.807 -8.540 -2.996 449 H MET 58 H MET 58 16.814 -4.763 -4.488 450 HA MET 58 HA MET 58 15.030 -2.644 -5.004 451 HB2 MET 58 2HB MET 58 16.772 -1.184 -4.614 452 HB3 MET 58 1HB MET 58 17.230 -2.605 -3.687 453 HG2 MET 58 2HG MET 58 19.219 -2.226 -4.755 454 HG3 MET 58 1HG MET 58 18.457 -3.222 -5.984 455 HE1 MET 58 3HE MET 58 18.816 0.078 -4.472 456 HE2 MET 58 1HE MET 58 18.762 1.297 -5.752 457 HE3 MET 58 2HE MET 58 20.212 0.325 -5.519 458 H LYS 59 H LYS 59 17.149 -4.375 -7.280 459 HA LYS 59 HA LYS 59 17.025 -2.422 -9.316 460 HB2 LYS 59 2HB LYS 59 17.213 -5.428 -9.637 461 HB3 LYS 59 1HB LYS 59 17.515 -4.245 -10.909 462 HG2 LYS 59 2HG LYS 59 19.062 -4.384 -8.327 463 HG3 LYS 59 1HG LYS 59 19.597 -5.033 -9.873 464 HD2 LYS 59 2HD LYS 59 18.912 -2.503 -10.637 465 HD3 LYS 59 1HD LYS 59 19.392 -2.207 -8.964 466 HE2 LYS 59 2HE LYS 59 21.038 -3.701 -10.993 467 HE3 LYS 59 1HE LYS 59 21.299 -2.014 -10.546 468 HZ1 LYS 59 3HZ LYS 59 21.163 -3.454 -8.182 469 HZ2 LYS 59 1HZ LYS 59 22.537 -2.733 -8.867 470 HZ3 LYS 59 2HZ LYS 59 22.167 -4.354 -9.215 471 H GLU 60 H GLU 60 14.819 -5.038 -8.435 472 HA GLU 60 HA GLU 60 13.054 -4.745 -10.632 473 HB2 GLU 60 2HB GLU 60 13.060 -6.692 -9.086 474 HB3 GLU 60 1HB GLU 60 12.414 -5.656 -7.817 475 HG2 GLU 60 2HG GLU 60 10.457 -5.149 -9.270 476 HG3 GLU 60 1HG GLU 60 11.086 -6.272 -10.468 477 H LEU 61 H LEU 61 13.226 -3.240 -7.455 478 HA LEU 61 HA LEU 61 10.776 -1.839 -7.662 479 HB2 LEU 61 2HB LEU 61 13.176 -1.180 -5.953 480 HB3 LEU 61 1HB LEU 61 11.556 -0.530 -5.745 481 HG LEU 61 HG LEU 61 12.362 -3.437 -5.457 482 HD11 LEU 61 1HD1 LEU 61 11.155 -1.716 -3.320 483 HD12 LEU 61 2HD1 LEU 61 12.881 -1.590 -3.658 484 HD13 LEU 61 3HD1 LEU 61 12.193 -3.132 -3.157 485 HD21 LEU 61 3HD2 LEU 61 9.686 -2.058 -5.522 486 HD22 LEU 61 1HD2 LEU 61 9.922 -3.440 -4.468 487 HD23 LEU 61 2HD2 LEU 61 10.148 -3.632 -6.195 488 H ASP 62 H ASP 62 14.068 -0.981 -8.607 489 HA ASP 62 HA ASP 62 13.375 1.761 -9.002 490 HB2 ASP 62 2HB ASP 62 15.721 0.848 -8.730 491 HB3 ASP 62 1HB ASP 62 15.602 0.296 -10.401 492 H GLU 63 H GLU 63 11.284 1.263 -10.102 493 HA GLU 63 HA GLU 63 11.269 0.282 -12.799 494 HB2 GLU 63 2HB GLU 63 9.190 0.512 -11.463 495 HB3 GLU 63 1HB GLU 63 9.398 2.265 -11.461 496 HG2 GLU 63 2HG GLU 63 9.313 2.277 -13.923 497 HG3 GLU 63 1HG GLU 63 9.068 0.541 -13.923 498 H ASN 64 H ASN 64 11.664 3.227 -11.175 499 HA ASN 64 HA ASN 64 11.737 5.080 -13.222 500 HB2 ASN 64 2HB ASN 64 11.490 5.543 -10.862 501 HB3 ASN 64 1HB ASN 64 13.083 4.895 -10.544 502 HD21 ASN 64 1HD2 ASN 64 11.668 7.414 -12.721 503 HD22 ASN 64 2HD2 ASN 64 12.888 8.548 -12.393 504 H GLY 65 H GLY 65 14.286 3.014 -11.865 505 HA2 GLY 65 2HA GLY 65 16.226 2.249 -12.877 506 HA3 GLY 65 1HA GLY 65 15.823 3.202 -14.297 507 H ASP 66 H ASP 66 15.891 4.892 -11.264 508 HA ASP 66 HA ASP 66 18.216 6.385 -12.210 509 HB2 ASP 66 2HB ASP 66 17.655 7.957 -10.407 510 HB3 ASP 66 1HB ASP 66 16.251 7.612 -11.413 511 H GLY 67 H GLY 67 17.955 3.633 -10.473 512 HA2 GLY 67 2HA GLY 67 19.724 2.511 -9.408 513 HA3 GLY 67 1HA GLY 67 20.565 4.050 -9.232 514 H GLU 68 H GLU 68 17.592 4.771 -8.333 515 HA GLU 68 HA GLU 68 17.962 4.057 -5.484 516 HB2 GLU 68 2HB GLU 68 16.808 6.572 -6.674 517 HB3 GLU 68 1HB GLU 68 16.746 6.170 -4.967 518 HG2 GLU 68 2HG GLU 68 18.586 7.591 -5.095 519 HG3 GLU 68 1HG GLU 68 19.337 5.990 -5.169 520 H VAL 69 H VAL 69 15.995 3.964 -4.247 521 HA VAL 69 HA VAL 69 13.687 3.066 -5.855 522 HB VAL 69 HB VAL 69 14.265 2.598 -2.919 523 HG11 VAL 69 1HG1 VAL 69 12.234 1.434 -4.818 524 HG12 VAL 69 2HG1 VAL 69 11.912 2.422 -3.390 525 HG13 VAL 69 3HG1 VAL 69 12.554 0.791 -3.210 526 HG21 VAL 69 3HG2 VAL 69 14.638 0.195 -3.815 527 HG22 VAL 69 1HG2 VAL 69 15.943 1.373 -3.949 528 HG23 VAL 69 2HG2 VAL 69 14.942 0.998 -5.356 529 H ASP 70 H ASP 70 11.894 4.427 -5.816 530 HA ASP 70 HA ASP 70 12.142 6.738 -3.980 531 HB2 ASP 70 2HB ASP 70 10.787 7.995 -5.443 532 HB3 ASP 70 1HB ASP 70 11.893 7.101 -6.472 533 H PHE 71 H PHE 71 9.993 7.667 -3.271 534 HA PHE 71 HA PHE 71 8.836 6.008 -1.380 535 HB2 PHE 71 2HB PHE 71 8.781 8.572 -1.703 536 HB3 PHE 71 1HB PHE 71 7.398 8.283 -2.743 537 HD1 PHE 71 1HD PHE 71 6.748 5.742 -0.598 538 HD2 PHE 71 2HD PHE 71 7.144 10.014 -0.469 539 HE1 PHE 71 1HE PHE 71 5.260 5.817 1.368 540 HE2 PHE 71 2HE PHE 71 5.667 10.070 1.506 541 HZ PHE 71 HZ PHE 71 4.732 7.981 2.412 542 H GLN 72 H GLN 72 7.638 6.807 -4.666 543 HA GLN 72 HA GLN 72 5.216 5.348 -4.473 544 HB2 GLN 72 2HB GLN 72 6.906 6.042 -6.889 545 HB3 GLN 72 1HB GLN 72 5.274 5.378 -6.970 546 HG2 GLN 72 2HG GLN 72 4.417 7.295 -5.701 547 HG3 GLN 72 1HG GLN 72 6.030 7.963 -5.567 548 HE21 GLN 72 1HE2 GLN 72 4.002 9.475 -6.768 549 HE22 GLN 72 2HE2 GLN 72 4.313 9.606 -8.427 550 H GLU 73 H GLU 73 8.469 4.342 -5.533 551 HA GLU 73 HA GLU 73 7.765 1.762 -6.447 552 HB2 GLU 73 2HB GLU 73 10.332 2.834 -5.279 553 HB3 GLU 73 1HB GLU 73 10.196 1.273 -6.076 554 HG2 GLU 73 2HG GLU 73 9.483 2.442 -8.161 555 HG3 GLU 73 1HG GLU 73 9.702 3.987 -7.354 556 H TYR 74 H TYR 74 8.851 3.031 -3.351 557 HA TYR 74 HA TYR 74 8.987 0.619 -1.884 558 HB2 TYR 74 2HB TYR 74 10.002 2.784 -1.201 559 HB3 TYR 74 1HB TYR 74 8.386 3.424 -0.912 560 HD1 TYR 74 1HD TYR 74 10.886 0.933 0.176 561 HD2 TYR 74 2HD TYR 74 7.113 2.795 1.036 562 HE1 TYR 74 1HE TYR 74 10.921 -0.039 2.451 563 HE2 TYR 74 2HE TYR 74 7.149 1.813 3.314 564 HH TYR 74 HH TYR 74 9.957 -0.047 4.456 565 H VAL 75 H VAL 75 6.500 2.984 -2.435 566 HA VAL 75 HA VAL 75 4.553 2.013 -0.665 567 HB VAL 75 HB VAL 75 4.717 4.169 -2.517 568 HG11 VAL 75 1HG1 VAL 75 2.449 4.122 -3.548 569 HG12 VAL 75 2HG1 VAL 75 2.349 2.420 -3.150 570 HG13 VAL 75 3HG1 VAL 75 3.581 2.981 -4.263 571 HG21 VAL 75 3HG2 VAL 75 2.491 4.804 -1.441 572 HG22 VAL 75 1HG2 VAL 75 3.855 4.547 -0.352 573 HG23 VAL 75 2HG2 VAL 75 2.616 3.299 -0.534 574 H VAL 76 H VAL 76 5.060 1.291 -4.145 575 HA VAL 76 HA VAL 76 2.872 -0.555 -4.128 576 HB VAL 76 HB VAL 76 3.655 -1.354 -6.269 577 HG11 VAL 76 1HG1 VAL 76 2.619 1.003 -5.921 578 HG12 VAL 76 2HG1 VAL 76 3.390 0.658 -7.470 579 HG13 VAL 76 3HG1 VAL 76 4.245 1.604 -6.252 580 HG21 VAL 76 3HG2 VAL 76 6.102 0.368 -5.909 581 HG22 VAL 76 1HG2 VAL 76 5.772 -0.754 -7.217 582 HG23 VAL 76 2HG2 VAL 76 6.114 -1.362 -5.599 583 H LEU 77 H LEU 77 6.353 -0.847 -3.363 584 HA LEU 77 HA LEU 77 6.442 -3.661 -3.295 585 HB2 LEU 77 2HB LEU 77 8.472 -2.368 -3.024 586 HB3 LEU 77 1HB LEU 77 7.857 -1.627 -1.555 587 HG LEU 77 HG LEU 77 7.815 -3.962 -0.520 588 HD11 LEU 77 1HD1 LEU 77 8.190 -4.993 -2.997 589 HD12 LEU 77 2HD1 LEU 77 8.705 -5.807 -1.529 590 HD13 LEU 77 3HD1 LEU 77 9.863 -4.883 -2.466 591 HD21 LEU 77 3HD2 LEU 77 10.301 -2.512 -1.355 592 HD22 LEU 77 1HD2 LEU 77 10.417 -3.980 -0.384 593 HD23 LEU 77 2HD2 LEU 77 9.531 -2.583 0.229 594 H VAL 78 H VAL 78 5.592 -1.429 -0.600 595 HA VAL 78 HA VAL 78 5.032 -3.634 1.131 596 HB VAL 78 HB VAL 78 3.934 -2.050 2.652 597 HG11 VAL 78 1HG1 VAL 78 6.642 -1.558 1.509 598 HG12 VAL 78 2HG1 VAL 78 6.170 -2.118 3.115 599 HG13 VAL 78 3HG1 VAL 78 6.018 -0.412 2.698 600 HG21 VAL 78 3HG2 VAL 78 3.749 0.291 2.165 601 HG22 VAL 78 1HG2 VAL 78 2.958 -0.564 0.849 602 HG23 VAL 78 2HG2 VAL 78 4.570 0.116 0.622 603 H ALA 79 H ALA 79 3.007 -1.746 -1.073 604 HA ALA 79 HA ALA 79 0.548 -2.833 -0.065 605 HB1 ALA 79 1HB ALA 79 -0.474 -1.623 -1.689 606 HB2 ALA 79 2HB ALA 79 0.710 -2.056 -2.928 607 HB3 ALA 79 3HB ALA 79 1.086 -0.822 -1.737 608 H ALA 80 H ALA 80 2.565 -3.729 -2.860 609 HA ALA 80 HA ALA 80 0.953 -5.887 -3.705 610 HB1 ALA 80 1HB ALA 80 3.076 -6.645 -4.859 611 HB2 ALA 80 2HB ALA 80 3.889 -5.278 -4.097 612 HB3 ALA 80 3HB ALA 80 2.563 -4.997 -5.231 613 H LEU 81 H LEU 81 3.669 -5.614 -1.422 614 HA LEU 81 HA LEU 81 3.791 -8.413 -0.901 615 HB2 LEU 81 2HB LEU 81 4.884 -5.984 0.430 616 HB3 LEU 81 1HB LEU 81 4.770 -7.459 1.385 617 HG LEU 81 HG LEU 81 6.091 -8.686 -0.255 618 HD11 LEU 81 1HD1 LEU 81 5.248 -7.296 -2.256 619 HD12 LEU 81 2HD1 LEU 81 6.930 -7.797 -2.272 620 HD13 LEU 81 3HD1 LEU 81 6.512 -6.152 -1.830 621 HD21 LEU 81 3HD2 LEU 81 8.231 -7.516 -0.005 622 HD22 LEU 81 1HD2 LEU 81 7.288 -7.397 1.480 623 HD23 LEU 81 2HD2 LEU 81 7.382 -6.021 0.382 624 H THR 82 H THR 82 1.794 -5.776 0.379 625 HA THR 82 HA THR 82 0.749 -7.206 2.596 626 HB THR 82 HB THR 82 -0.657 -5.117 0.919 627 HG1 THR 82 1HG THR 82 0.596 -4.442 3.281 628 HG21 THR 82 3HG2 THR 82 -1.422 -4.697 3.477 629 HG22 THR 82 1HG2 THR 82 -1.188 -6.444 3.526 630 HG23 THR 82 2HG2 THR 82 -2.315 -5.736 2.367 631 H VAL 83 H VAL 83 -0.565 -6.801 -0.718 632 HA VAL 83 HA VAL 83 -2.769 -8.547 -0.230 633 HB VAL 83 HB VAL 83 -2.797 -7.005 -2.156 634 HG11 VAL 83 1HG1 VAL 83 -0.359 -7.509 -2.790 635 HG12 VAL 83 2HG1 VAL 83 -1.496 -7.328 -4.094 636 HG13 VAL 83 3HG1 VAL 83 -0.981 -8.938 -3.592 637 HG21 VAL 83 3HG2 VAL 83 -2.933 -9.790 -3.279 638 HG22 VAL 83 1HG2 VAL 83 -4.042 -8.437 -3.519 639 HG23 VAL 83 2HG2 VAL 83 -4.035 -9.310 -1.986 640 H ALA 84 H ALA 84 0.514 -9.152 -1.399 641 HA ALA 84 HA ALA 84 0.092 -11.887 -2.044 642 HB1 ALA 84 1HB ALA 84 2.667 -10.627 -1.086 643 HB2 ALA 84 2HB ALA 84 2.062 -10.470 -2.735 644 HB3 ALA 84 3HB ALA 84 2.482 -12.060 -2.097 645 H CYS 85 H CHC 85 0.880 -10.155 0.905 646 HA CYS 85 HA CHC 85 1.603 -12.336 2.528 647 HB2 CYS 85 2HB CHC 85 1.822 -9.821 3.018 648 HB3 CYS 85 1HB CHC 85 0.133 -9.899 3.518 649 H ASN 86 H ASN 86 -1.521 -10.614 2.206 650 HA ASN 86 HA ASN 86 -2.957 -12.414 3.829 651 HB2 ASN 86 2HB ASN 86 -3.799 -10.201 2.892 652 HB3 ASN 86 1HB ASN 86 -4.103 -11.065 1.384 653 HD21 ASN 86 1HD2 ASN 86 -6.156 -11.986 1.241 654 HD22 ASN 86 2HD2 ASN 86 -7.130 -12.401 2.568 655 H ASN 87 H ASN 87 -2.108 -12.494 0.380 656 HA ASN 87 HA ASN 87 -3.663 -14.707 -0.366 657 HB2 ASN 87 2HB ASN 87 -2.260 -13.206 -1.886 658 HB3 ASN 87 1HB ASN 87 -0.884 -14.200 -1.405 659 HD21 ASN 87 1HD2 ASN 87 -0.494 -15.905 -2.800 660 HD22 ASN 87 2HD2 ASN 87 -1.675 -16.697 -3.727 661 H PHE 88 H PHE 88 -0.403 -14.580 1.113 662 HA PHE 88 HA PHE 88 -0.053 -17.411 0.992 663 HB2 PHE 88 2HB PHE 88 1.296 -15.325 2.709 664 HB3 PHE 88 1HB PHE 88 1.712 -17.037 2.759 665 HD1 PHE 88 1HD PHE 88 2.250 -18.171 0.471 666 HD2 PHE 88 2HD PHE 88 2.344 -13.933 1.128 667 HE1 PHE 88 1HE PHE 88 3.718 -17.896 -1.508 668 HE2 PHE 88 2HE PHE 88 3.797 -13.652 -0.858 669 HZ PHE 88 HZ PHE 88 4.488 -15.636 -2.176 670 H PHE 89 H PHE 89 -1.329 -15.218 3.470 671 HA PHE 89 HA PHE 89 -1.558 -17.093 5.541 672 HB2 PHE 89 2HB PHE 89 -1.890 -14.646 5.802 673 HB3 PHE 89 1HB PHE 89 -3.435 -14.793 4.963 674 HD1 PHE 89 2HD PHE 89 -1.548 -15.753 8.002 675 HD2 PHE 89 1HD PHE 89 -5.369 -15.747 6.039 676 HE1 PHE 89 2HE PHE 89 -2.640 -16.417 10.127 677 HE2 PHE 89 1HE PHE 89 -6.461 -16.413 8.164 678 HZ PHE 89 HZ PHE 89 -5.096 -16.747 10.208 679 H TRP 90 H TRP 90 -3.894 -16.253 2.981 680 HA TRP 90 HA TRP 90 -5.762 -18.284 3.900 681 HB2 TRP 90 2HB TRP 90 -6.661 -16.206 3.088 682 HB3 TRP 90 1HB TRP 90 -5.838 -16.427 1.540 683 HD1 TRP 90 HD TRP 90 -6.506 -18.625 0.178 684 HE1 TRP 90 1HE TRP 90 -8.776 -19.781 -0.131 685 HE3 TRP 90 3HE TRP 90 -8.937 -16.697 4.193 686 HZ2 TRP 90 2HZ TRP 90 -11.331 -19.862 1.195 687 HZ3 TRP 90 3HZ TRP 90 -11.288 -17.322 4.661 688 HH2 TRP 90 HH TRP 90 -12.487 -18.900 3.170 689 H GLU 91 H GLU 91 -4.136 -17.701 0.814 690 HA GLU 91 HA GLU 91 -4.904 -20.109 -0.361 691 HB2 GLU 91 2HB GLU 91 -3.920 -17.929 -1.364 692 HB3 GLU 91 1HB GLU 91 -2.357 -18.708 -1.119 693 HG2 GLU 91 2HG GLU 91 -4.666 -20.051 -2.568 694 HG3 GLU 91 1HG GLU 91 -3.435 -19.095 -3.398 695 H ASN 92 H ASN 92 -1.985 -19.427 1.569 696 HA ASN 92 HA ASN 92 -0.580 -21.762 0.911 697 HB2 ASN 92 2HB ASN 92 0.316 -19.854 2.275 698 HB3 ASN 92 1HB ASN 92 -0.592 -20.488 3.650 699 HD21 ASN 92 1HD2 ASN 92 2.037 -20.487 4.162 700 HD22 ASN 92 2HD2 ASN 92 2.743 -22.015 3.947 701 H SER 93 H SER 93 -3.198 -21.232 3.200 702 HA SER 93 HA SER 93 -3.300 -24.158 3.672 703 HB2 SER 93 2HB SER 93 -2.695 -23.027 5.730 704 HB3 SER 93 1HB SER 93 -4.026 -21.890 5.541 705 HG SER 93 HG SER 93 -5.299 -24.008 5.433 706 H1 GLY 1 H GLY 1 9.030 -2.595 15.619 707 HA2 GLY 1 2HA GLY 1 9.761 -1.789 12.863 708 HA3 GLY 1 1HA GLY 1 10.334 -3.294 13.574 709 H SER 2 H SER 2 7.757 -3.664 14.980 710 HA SER 2 HA SER 2 6.440 -5.234 13.004 711 HB2 SER 2 2HB SER 2 4.873 -5.781 14.749 712 HB3 SER 2 1HB SER 2 6.483 -5.737 15.460 713 HG SER 2 HG SER 2 4.363 -4.364 16.183 714 H GLU 3 H GLU 3 6.275 -1.918 13.795 715 HA GLU 3 HA GLU 3 3.558 -1.353 13.434 716 HB2 GLU 3 2HB GLU 3 5.986 0.330 12.831 717 HB3 GLU 3 1HB GLU 3 4.330 0.939 12.812 718 HG2 GLU 3 2HG GLU 3 4.053 0.226 15.156 719 HG3 GLU 3 1HG GLU 3 5.725 -0.331 15.180 720 H LEU 4 H LEU 4 6.134 -1.630 10.936 721 HA LEU 4 HA LEU 4 4.477 -0.619 8.866 722 HB2 LEU 4 2HB LEU 4 7.007 -1.138 8.843 723 HB3 LEU 4 1HB LEU 4 6.534 -2.793 8.473 724 HG LEU 4 HG LEU 4 5.535 -0.417 6.878 725 HD11 LEU 4 1HD1 LEU 4 8.044 -0.500 6.872 726 HD12 LEU 4 2HD1 LEU 4 7.298 -0.701 5.288 727 HD13 LEU 4 3HD1 LEU 4 7.936 -2.103 6.140 728 HD21 LEU 4 3HD2 LEU 4 4.362 -1.937 5.756 729 HD22 LEU 4 1HD2 LEU 4 5.013 -3.244 6.737 730 HD23 LEU 4 2HD2 LEU 4 5.845 -2.747 5.273 731 H GLU 5 H GLU 5 4.998 -3.861 10.213 732 HA GLU 5 HA GLU 5 3.212 -5.202 8.454 733 HB2 GLU 5 2HB GLU 5 4.281 -5.951 11.177 734 HB3 GLU 5 1HB GLU 5 3.205 -6.992 10.247 735 HG2 GLU 5 2HG GLU 5 5.870 -5.939 9.265 736 HG3 GLU 5 1HG GLU 5 5.599 -7.565 9.886 737 H THR 6 H THR 6 2.789 -3.560 11.554 738 HA THR 6 HA THR 6 0.180 -4.478 12.080 739 HB THR 6 HB THR 6 1.288 -1.716 12.659 740 HG1 THR 6 1HG THR 6 2.579 -3.506 13.412 741 HG21 THR 6 3HG2 THR 6 -0.294 -2.121 14.694 742 HG22 THR 6 1HG2 THR 6 -1.044 -3.332 13.654 743 HG23 THR 6 2HG2 THR 6 -1.001 -1.642 13.151 744 H ALA 7 H ALA 7 1.451 -1.847 10.124 745 HA ALA 7 HA ALA 7 -1.052 -0.743 9.343 746 HB1 ALA 7 1HB ALA 7 1.330 -0.705 7.524 747 HB2 ALA 7 2HB ALA 7 1.397 0.165 9.053 748 HB3 ALA 7 3HB ALA 7 0.164 0.572 7.862 749 H MET 8 H MET 8 1.115 -3.123 7.811 750 HA MET 8 HA MET 8 -0.404 -3.563 5.472 751 HB2 MET 8 2HB MET 8 1.420 -5.386 7.071 752 HB3 MET 8 1HB MET 8 0.799 -5.787 5.471 753 HG2 MET 8 2HG MET 8 1.868 -3.782 4.530 754 HG3 MET 8 1HG MET 8 2.473 -3.325 6.109 755 HE1 MET 8 3HE MET 8 3.878 -6.707 3.374 756 HE2 MET 8 1HE MET 8 2.569 -5.545 3.128 757 HE3 MET 8 2HE MET 8 2.347 -6.913 4.219 758 H GLU 9 H GLU 9 -0.566 -5.030 8.692 759 HA GLU 9 HA GLU 9 -2.592 -6.918 8.077 760 HB2 GLU 9 2HB GLU 9 -1.762 -5.672 10.704 761 HB3 GLU 9 1HB GLU 9 -2.952 -6.966 10.560 762 HG2 GLU 9 2HG GLU 9 -1.258 -8.381 9.434 763 HG3 GLU 9 1HG GLU 9 -0.067 -7.103 9.637 764 H THR 10 H THR 10 -2.637 -3.533 9.143 765 HA THR 10 HA THR 10 -5.417 -3.436 9.682 766 HB THR 10 HB THR 10 -3.680 -1.211 8.625 767 HG1 THR 10 1HG THR 10 -3.049 -2.386 10.627 768 HG21 THR 10 3HG2 THR 10 -6.143 -0.811 8.543 769 HG22 THR 10 1HG2 THR 10 -5.324 0.258 9.685 770 HG23 THR 10 2HG2 THR 10 -6.222 -1.137 10.279 771 H LEU 11 H LEU 11 -3.523 -2.876 6.696 772 HA LEU 11 HA LEU 11 -5.724 -2.090 5.096 773 HB2 LEU 11 2HB LEU 11 -3.313 -3.679 4.186 774 HB3 LEU 11 1HB LEU 11 -4.357 -2.693 3.173 775 HG LEU 11 HG LEU 11 -2.496 -1.717 5.349 776 HD11 LEU 11 1HD1 LEU 11 -2.485 -0.961 2.441 777 HD12 LEU 11 2HD1 LEU 11 -1.640 -2.397 3.014 778 HD13 LEU 11 3HD1 LEU 11 -1.187 -0.805 3.623 779 HD21 LEU 11 3HD2 LEU 11 -4.270 -0.188 5.513 780 HD22 LEU 11 1HD2 LEU 11 -4.656 -0.308 3.793 781 HD23 LEU 11 2HD2 LEU 11 -3.221 0.568 4.318 782 H ILE 12 H ILE 12 -4.287 -5.239 5.836 783 HA ILE 12 HA ILE 12 -6.010 -6.763 4.183 784 HB ILE 12 HB ILE 12 -4.588 -7.540 6.736 785 HG12 ILE 12 2HG1 ILE 12 -3.871 -8.124 3.851 786 HG13 ILE 12 1HG1 ILE 12 -3.191 -6.778 4.744 787 HG21 ILE 12 1HG2 ILE 12 -4.898 -9.869 5.838 788 HG22 ILE 12 2HG2 ILE 12 -5.994 -9.202 4.628 789 HG23 ILE 12 3HG2 ILE 12 -6.399 -9.091 6.343 790 HD11 ILE 12 3HD1 ILE 12 -3.070 -9.571 5.859 791 HD12 ILE 12 1HD1 ILE 12 -2.023 -8.197 6.213 792 HD13 ILE 12 2HD1 ILE 12 -1.884 -9.036 4.666 793 H ASN 13 H ASN 13 -6.288 -5.835 7.590 794 HA ASN 13 HA ASN 13 -8.647 -7.244 8.144 795 HB2 ASN 13 2HB ASN 13 -7.527 -4.727 9.368 796 HB3 ASN 13 1HB ASN 13 -8.874 -5.644 10.041 797 HD21 ASN 13 1HD2 ASN 13 -6.433 -5.329 11.500 798 HD22 ASN 13 2HD2 ASN 13 -5.674 -6.844 11.605 799 H VAL 14 H VAL 14 -8.238 -3.890 6.934 800 HA VAL 14 HA VAL 14 -11.065 -3.421 7.095 801 HB VAL 14 HB VAL 14 -10.700 -1.309 5.981 802 HG11 VAL 14 1HG1 VAL 14 -9.449 -0.300 7.661 803 HG12 VAL 14 2HG1 VAL 14 -8.261 -1.601 7.702 804 HG13 VAL 14 3HG1 VAL 14 -9.858 -1.846 8.408 805 HG21 VAL 14 3HG2 VAL 14 -9.168 -1.751 4.211 806 HG22 VAL 14 1HG2 VAL 14 -7.970 -2.423 5.310 807 HG23 VAL 14 2HG2 VAL 14 -8.290 -0.699 5.326 808 H PHE 15 H PHE 15 -8.877 -4.376 4.423 809 HA PHE 15 HA PHE 15 -10.857 -4.247 2.402 810 HB2 PHE 15 2HB PHE 15 -8.483 -4.524 1.858 811 HB3 PHE 15 1HB PHE 15 -8.500 -6.131 2.592 812 HD1 PHE 15 1HD PHE 15 -10.203 -4.073 -0.033 813 HD2 PHE 15 2HD PHE 15 -9.159 -8.001 1.351 814 HE1 PHE 15 1HE PHE 15 -11.105 -5.056 -2.121 815 HE2 PHE 15 2HE PHE 15 -10.049 -8.979 -0.745 816 HZ PHE 15 HZ PHE 15 -11.025 -7.505 -2.483 817 H HIS 16 H HIS 16 -9.816 -6.880 4.510 818 HA HIS 16 HA HIS 16 -11.742 -8.720 3.553 819 HB2 HIS 16 2HB HIS 16 -9.706 -9.423 4.796 820 HB3 HIS 16 1HB HIS 16 -10.368 -8.673 6.248 821 HD1 HIS 16 1HD HIS 16 -11.534 -11.231 3.654 822 HD2 HIS 16 2HD HIS 16 -11.833 -10.465 7.741 823 HE1 HIS 16 1HE HIS 16 -12.851 -13.151 4.647 824 HE2 HIS 16 2HE HIS 16 -13.043 -12.699 7.138 825 H ALA 17 H ALA 17 -11.794 -6.260 6.032 826 HA ALA 17 HA ALA 17 -14.090 -7.114 7.367 827 HB1 ALA 17 1HB ALA 17 -13.318 -4.241 6.704 828 HB2 ALA 17 2HB ALA 17 -12.684 -5.169 8.075 829 HB3 ALA 17 3HB ALA 17 -14.396 -4.772 8.002 830 H HIS 18 H HIS 18 -13.785 -4.851 4.607 831 HA HIS 18 HA HIS 18 -16.687 -4.885 4.344 832 HB2 HIS 18 2HB HIS 18 -14.479 -3.430 2.961 833 HB3 HIS 18 1HB HIS 18 -16.066 -3.519 2.189 834 HD1 HIS 18 1HD HIS 18 -17.778 -1.891 3.017 835 HD2 HIS 18 2HD HIS 18 -14.741 -2.462 5.814 836 HE1 HIS 18 1HE HIS 18 -18.304 -0.377 4.972 837 HE2 HIS 18 2HE HIS 18 -16.459 -0.701 6.680 838 H SER 19 H SER 19 -14.023 -6.164 2.301 839 HA SER 19 HA SER 19 -15.698 -7.149 0.282 840 HB2 SER 19 2HB SER 19 -13.257 -7.107 0.058 841 HB3 SER 19 1HB SER 19 -13.121 -8.367 1.287 842 HG SER 19 HG SER 19 -13.472 -8.704 -1.274 843 H GLY 20 H GLY 20 -14.567 -8.654 3.291 844 HA2 GLY 20 2HA GLY 20 -15.931 -11.116 2.826 845 HA3 GLY 20 1HA GLY 20 -15.199 -10.621 4.335 846 H LYS 21 H LYS 21 -16.600 -8.244 4.836 847 HA LYS 21 HA LYS 21 -18.917 -9.218 6.090 848 HB2 LYS 21 2HB LYS 21 -17.776 -7.232 6.835 849 HB3 LYS 21 1HB LYS 21 -18.209 -6.381 5.348 850 HG2 LYS 21 2HG LYS 21 -20.580 -6.574 5.942 851 HG3 LYS 21 1HG LYS 21 -20.149 -7.476 7.400 852 HD2 LYS 21 2HD LYS 21 -20.477 -5.137 7.992 853 HD3 LYS 21 1HD LYS 21 -18.772 -5.527 8.148 854 HE2 LYS 21 2HE LYS 21 -19.672 -4.521 5.496 855 HE3 LYS 21 1HE LYS 21 -19.661 -3.355 6.816 856 HZ1 LYS 21 3HZ LYS 21 -17.388 -3.727 7.203 857 HZ2 LYS 21 1HZ LYS 21 -17.538 -3.571 5.521 858 HZ3 LYS 21 2HZ LYS 21 -17.352 -5.110 6.217 859 H GLU 22 H GLU 22 -18.656 -7.561 2.925 860 HA GLU 22 HA GLU 22 -21.551 -8.107 2.585 861 HB2 GLU 22 2HB GLU 22 -19.905 -5.859 1.442 862 HB3 GLU 22 1HB GLU 22 -21.598 -6.174 1.049 863 HG2 GLU 22 2HG GLU 22 -22.168 -5.982 3.454 864 HG3 GLU 22 1HG GLU 22 -20.488 -5.608 3.798 865 H GLY 23 H GLY 23 -22.334 -8.868 0.694 866 HA2 GLY 23 2HA GLY 23 -22.388 -10.167 -1.194 867 HA3 GLY 23 1HA GLY 23 -21.164 -9.054 -1.783 868 H ASP 24 H ASP 24 -19.882 -10.402 -2.864 869 HA ASP 24 HA ASP 24 -19.070 -12.981 -1.949 870 HB2 ASP 24 2HB ASP 24 -17.969 -11.165 -4.106 871 HB3 ASP 24 1HB ASP 24 -17.428 -12.820 -3.832 872 H LYS 25 H LYS 25 -17.088 -13.621 -1.089 873 HA LYS 25 HA LYS 25 -15.752 -11.565 0.483 874 HB2 LYS 25 2HB LYS 25 -15.194 -14.545 0.330 875 HB3 LYS 25 1HB LYS 25 -14.602 -13.416 1.559 876 HG2 LYS 25 2HG LYS 25 -17.037 -12.906 2.141 877 HG3 LYS 25 1HG LYS 25 -17.506 -14.236 1.088 878 HD2 LYS 25 2HD LYS 25 -15.627 -14.483 3.459 879 HD3 LYS 25 1HD LYS 25 -17.328 -14.945 3.462 880 HE2 LYS 25 2HE LYS 25 -15.044 -16.199 1.945 881 HE3 LYS 25 1HE LYS 25 -16.210 -16.973 3.017 882 HZ1 LYS 25 3HZ LYS 25 -17.946 -16.503 1.398 883 HZ2 LYS 25 1HZ LYS 25 -16.714 -17.442 0.711 884 HZ3 LYS 25 2HZ LYS 25 -16.809 -15.782 0.363 885 H TYR 26 H TYR 26 -13.505 -11.132 0.353 886 HA TYR 26 HA TYR 26 -11.519 -10.723 -0.706 887 HB2 TYR 26 2HB TYR 26 -12.081 -13.367 -2.062 888 HB3 TYR 26 1HB TYR 26 -10.523 -12.542 -2.004 889 HD1 TYR 26 2HD TYR 26 -9.417 -12.132 0.223 890 HD2 TYR 26 1HD TYR 26 -12.870 -14.649 -0.208 891 HE1 TYR 26 2HE TYR 26 -8.959 -13.139 2.443 892 HE2 TYR 26 1HE TYR 26 -12.414 -15.656 2.011 893 HH TYR 26 HH TYR 26 -11.113 -14.759 4.200 894 H LYS 27 H LYS 27 -14.287 -10.194 -2.077 895 HA LYS 27 HA LYS 27 -13.045 -9.117 -4.511 896 HB2 LYS 27 2HB LYS 27 -14.380 -11.297 -5.060 897 HB3 LYS 27 1HB LYS 27 -15.803 -10.343 -4.688 898 HG2 LYS 27 2HG LYS 27 -15.549 -10.133 -7.025 899 HG3 LYS 27 1HG LYS 27 -14.873 -8.636 -6.380 900 HD2 LYS 27 2HD LYS 27 -12.615 -9.414 -6.666 901 HD3 LYS 27 1HD LYS 27 -13.141 -11.068 -6.936 902 HE2 LYS 27 2HE LYS 27 -14.443 -9.812 -8.958 903 HE3 LYS 27 1HE LYS 27 -13.020 -8.775 -8.803 904 HZ1 LYS 27 3HZ LYS 27 -11.699 -10.358 -9.598 905 HZ2 LYS 27 1HZ LYS 27 -13.113 -11.115 -10.149 906 HZ3 LYS 27 2HZ LYS 27 -12.424 -11.580 -8.667 907 H LEU 28 H LEU 28 -13.662 -6.972 -4.751 908 HA LEU 28 HA LEU 28 -15.725 -6.048 -2.841 909 HB2 LEU 28 2HB LEU 28 -13.228 -5.390 -2.735 910 HB3 LEU 28 1HB LEU 28 -13.565 -4.406 -4.121 911 HG LEU 28 HG LEU 28 -15.199 -3.070 -2.891 912 HD11 LEU 28 1HD1 LEU 28 -14.697 -5.107 -0.710 913 HD12 LEU 28 2HD1 LEU 28 -16.219 -4.367 -1.215 914 HD13 LEU 28 3HD1 LEU 28 -15.066 -3.445 -0.266 915 HD21 LEU 28 3HD2 LEU 28 -12.554 -3.437 -1.422 916 HD22 LEU 28 1HD2 LEU 28 -13.603 -2.039 -1.251 917 HD23 LEU 28 2HD2 LEU 28 -12.829 -2.381 -2.803 918 H SER 29 H SER 29 -17.568 -5.158 -3.617 919 HA SER 29 HA SER 29 -17.735 -4.601 -6.503 920 HB2 SER 29 2HB SER 29 -20.116 -4.815 -6.281 921 HB3 SER 29 1HB SER 29 -19.379 -6.180 -5.447 922 HG SER 29 HG SER 29 -19.749 -5.174 -3.512 923 H LYS 30 H LYS 30 -19.125 -2.692 -7.137 924 HA LYS 30 HA LYS 30 -18.021 -0.321 -6.235 925 HB2 LYS 30 2HB LYS 30 -19.344 -0.592 -8.328 926 HB3 LYS 30 1HB LYS 30 -20.803 -0.624 -7.338 927 HG2 LYS 30 2HG LYS 30 -20.151 1.626 -6.409 928 HG3 LYS 30 1HG LYS 30 -18.808 1.649 -7.548 929 HD2 LYS 30 2HD LYS 30 -20.614 2.862 -8.570 930 HD3 LYS 30 1HD LYS 30 -20.492 1.310 -9.402 931 HE2 LYS 30 2HE LYS 30 -22.526 0.603 -8.641 932 HE3 LYS 30 1HE LYS 30 -22.271 1.263 -7.018 933 HZ1 LYS 30 3HZ LYS 30 -24.008 2.489 -8.026 934 HZ2 LYS 30 1HZ LYS 30 -23.134 2.721 -9.460 935 HZ3 LYS 30 2HZ LYS 30 -22.644 3.501 -8.034 936 H LYS 31 H LYS 31 -21.174 -1.706 -5.369 937 HA LYS 31 HA LYS 31 -21.943 0.410 -3.713 938 HB2 LYS 31 2HB LYS 31 -23.634 -1.094 -2.834 939 HB3 LYS 31 1HB LYS 31 -23.472 -1.364 -4.569 940 HG2 LYS 31 2HG LYS 31 -21.934 -3.271 -4.085 941 HG3 LYS 31 1HG LYS 31 -22.239 -3.027 -2.367 942 HD2 LYS 31 2HD LYS 31 -23.707 -4.765 -3.090 943 HD3 LYS 31 1HD LYS 31 -24.694 -3.327 -2.835 944 HE2 LYS 31 2HE LYS 31 -24.998 -2.970 -5.124 945 HE3 LYS 31 1HE LYS 31 -23.549 -3.874 -5.561 946 HZ1 LYS 31 3HZ LYS 31 -26.164 -4.804 -5.449 947 HZ2 LYS 31 1HZ LYS 31 -25.331 -5.560 -4.180 948 HZ3 LYS 31 2HZ LYS 31 -24.756 -5.697 -5.774 949 H GLU 32 H GLU 32 -20.178 -2.606 -3.011 950 HA GLU 32 HA GLU 32 -20.091 -2.243 -0.199 951 HB2 GLU 32 2HB GLU 32 -18.262 -3.778 -2.051 952 HB3 GLU 32 1HB GLU 32 -18.236 -3.894 -0.291 953 HG2 GLU 32 2HG GLU 32 -20.606 -4.607 -0.317 954 HG3 GLU 32 1HG GLU 32 -20.598 -4.539 -2.069 955 H LEU 33 H LEU 33 -17.646 -1.424 -2.755 956 HA LEU 33 HA LEU 33 -15.828 -0.433 -0.827 957 HB2 LEU 33 2HB LEU 33 -14.789 0.912 -2.692 958 HB3 LEU 33 1HB LEU 33 -14.801 -0.818 -2.866 959 HG LEU 33 HG LEU 33 -17.153 -0.158 -4.130 960 HD11 LEU 33 1HD1 LEU 33 -16.672 1.717 -5.636 961 HD12 LEU 33 2HD1 LEU 33 -15.078 1.927 -4.932 962 HD13 LEU 33 3HD1 LEU 33 -16.521 2.285 -3.977 963 HD21 LEU 33 3HD2 LEU 33 -15.738 -1.756 -5.149 964 HD22 LEU 33 1HD2 LEU 33 -14.326 -0.705 -5.052 965 HD23 LEU 33 2HD2 LEU 33 -15.567 -0.381 -6.249 966 H LYS 34 H LYS 34 -18.590 0.985 -2.447 967 HA LYS 34 HA LYS 34 -18.071 3.650 -1.773 968 HB2 LYS 34 2HB LYS 34 -20.055 2.888 -3.096 969 HB3 LYS 34 1HB LYS 34 -20.745 2.222 -1.621 970 HG2 LYS 34 2HG LYS 34 -21.767 4.346 -1.834 971 HG3 LYS 34 1HG LYS 34 -20.495 4.597 -0.641 972 HD2 LYS 34 2HD LYS 34 -19.024 5.538 -2.355 973 HD3 LYS 34 1HD LYS 34 -20.217 5.184 -3.598 974 HE2 LYS 34 2HE LYS 34 -20.038 7.495 -1.864 975 HE3 LYS 34 1HE LYS 34 -21.128 7.224 -3.223 976 HZ1 LYS 34 3HZ LYS 34 -22.719 6.264 -1.856 977 HZ2 LYS 34 1HZ LYS 34 -22.134 7.548 -0.915 978 HZ3 LYS 34 2HZ LYS 34 -21.618 5.961 -0.598 979 H GLU 35 H GLU 35 -19.233 0.902 0.164 980 HA GLU 35 HA GLU 35 -19.729 2.526 2.493 981 HB2 GLU 35 2HB GLU 35 -19.485 -0.462 2.122 982 HB3 GLU 35 1HB GLU 35 -19.964 0.320 3.627 983 HG2 GLU 35 2HG GLU 35 -21.400 0.629 0.978 984 HG3 GLU 35 1HG GLU 35 -21.930 -0.403 2.303 985 H LEU 36 H LEU 36 -17.058 0.356 1.487 986 HA LEU 36 HA LEU 36 -15.650 0.480 3.947 987 HB2 LEU 36 2HB LEU 36 -15.339 -1.133 1.969 988 HB3 LEU 36 1HB LEU 36 -14.358 0.126 1.240 989 HG LEU 36 HG LEU 36 -13.799 -1.387 3.834 990 HD11 LEU 36 1HD1 LEU 36 -13.228 -2.195 1.391 991 HD12 LEU 36 2HD1 LEU 36 -12.045 -2.348 2.688 992 HD13 LEU 36 3HD1 LEU 36 -11.917 -1.028 1.534 993 HD21 LEU 36 3HD2 LEU 36 -11.628 0.016 3.738 994 HD22 LEU 36 1HD2 LEU 36 -13.064 0.787 4.395 995 HD23 LEU 36 2HD2 LEU 36 -12.539 1.144 2.745 996 H LEU 37 H LEU 37 -15.241 2.457 0.950 997 HA LEU 37 HA LEU 37 -13.061 3.932 2.006 998 HB2 LEU 37 2HB LEU 37 -15.033 4.605 -0.178 999 HB3 LEU 37 1HB LEU 37 -13.708 5.672 0.271 1000 HG LEU 37 HG LEU 37 -13.348 3.996 -1.689 1001 HD11 LEU 37 1HD1 LEU 37 -11.314 4.015 0.557 1002 HD12 LEU 37 2HD1 LEU 37 -11.582 5.363 -0.548 1003 HD13 LEU 37 3HD1 LEU 37 -10.995 3.822 -1.166 1004 HD21 LEU 37 3HD2 LEU 37 -12.606 1.792 -1.068 1005 HD22 LEU 37 1HD2 LEU 37 -14.203 2.039 -0.391 1006 HD23 LEU 37 2HD2 LEU 37 -12.792 2.153 0.645 1007 H GLN 38 H GLN 38 -16.564 4.560 2.045 1008 HA GLN 38 HA GLN 38 -16.343 7.102 3.273 1009 HB2 GLN 38 2HB GLN 38 -18.616 5.118 3.226 1010 HB3 GLN 38 1HB GLN 38 -18.742 6.749 3.890 1011 HG2 GLN 38 2HG GLN 38 -18.018 7.674 1.704 1012 HG3 GLN 38 1HG GLN 38 -17.979 6.046 1.040 1013 HE21 GLN 38 1HE2 GLN 38 -20.487 5.990 3.209 1014 HE22 GLN 38 2HE2 GLN 38 -21.765 6.414 2.176 1015 H THR 39 H THR 39 -16.638 3.826 4.655 1016 HA THR 39 HA THR 39 -16.943 4.793 7.328 1017 HB THR 39 HB THR 39 -16.466 2.482 8.011 1018 HG1 THR 39 1HG THR 39 -16.354 1.398 5.566 1019 HG21 THR 39 3HG2 THR 39 -18.707 2.634 7.508 1020 HG22 THR 39 1HG2 THR 39 -18.225 1.447 6.300 1021 HG23 THR 39 2HG2 THR 39 -18.414 3.139 5.845 1022 H GLU 40 H GLU 40 -14.113 3.778 5.423 1023 HA GLU 40 HA GLU 40 -12.365 4.321 7.701 1024 HB2 GLU 40 2HB GLU 40 -11.788 3.363 4.895 1025 HB3 GLU 40 1HB GLU 40 -10.560 3.659 6.121 1026 HG2 GLU 40 2HG GLU 40 -12.877 1.756 6.505 1027 HG3 GLU 40 1HG GLU 40 -11.277 1.255 5.967 1028 H LEU 41 H LEU 41 -12.873 5.556 4.398 1029 HA LEU 41 HA LEU 41 -11.315 7.954 5.136 1030 HB2 LEU 41 2HB LEU 41 -12.100 7.043 2.361 1031 HB3 LEU 41 1HB LEU 41 -10.994 8.343 2.772 1032 HG LEU 41 HG LEU 41 -10.574 5.375 3.214 1033 HD11 LEU 41 1HD1 LEU 41 -8.677 7.195 1.779 1034 HD12 LEU 41 2HD1 LEU 41 -10.158 6.723 0.953 1035 HD13 LEU 41 3HD1 LEU 41 -9.023 5.490 1.499 1036 HD21 LEU 41 3HD2 LEU 41 -9.516 6.235 5.113 1037 HD22 LEU 41 1HD2 LEU 41 -9.124 7.765 4.320 1038 HD23 LEU 41 2HD2 LEU 41 -8.217 6.309 3.925 1039 H SER 42 H SER 42 -12.124 9.979 4.934 1040 HA SER 42 HA SER 42 -15.019 10.157 4.334 1041 HB2 SER 42 2HB SER 42 -13.271 11.529 6.341 1042 HB3 SER 42 1HB SER 42 -14.676 12.382 5.707 1043 HG SER 42 HG SER 42 -15.854 10.389 6.260 1044 H GLY 43 H GLY 43 -12.287 12.417 4.509 1045 HA2 GLY 43 2HA GLY 43 -13.215 14.214 2.597 1046 HA3 GLY 43 1HA GLY 43 -11.547 14.063 3.112 1047 H PHE 44 H PHE 44 -11.109 11.355 2.071 1048 HA PHE 44 HA PHE 44 -10.271 12.053 -0.511 1049 HB2 PHE 44 2HB PHE 44 -10.695 9.351 0.759 1050 HB3 PHE 44 1HB PHE 44 -9.971 9.564 -0.832 1051 HD1 PHE 44 1HD PHE 44 -7.801 10.671 -1.105 1052 HD2 PHE 44 2HD PHE 44 -9.496 10.037 2.801 1053 HE1 PHE 44 1HE PHE 44 -5.608 11.170 -0.065 1054 HE2 PHE 44 2HE PHE 44 -7.300 10.534 3.830 1055 HZ PHE 44 HZ PHE 44 -5.357 11.100 2.400 1056 H LEU 45 H LEU 45 -13.046 9.925 0.343 1057 HA LEU 45 HA LEU 45 -13.926 9.900 -2.408 1058 HB2 LEU 45 2HB LEU 45 -14.712 8.537 0.069 1059 HB3 LEU 45 1HB LEU 45 -16.093 8.987 -0.922 1060 HG LEU 45 HG LEU 45 -15.142 6.702 -1.460 1061 HD11 LEU 45 1HD1 LEU 45 -15.794 6.961 -3.633 1062 HD12 LEU 45 2HD1 LEU 45 -14.648 8.266 -3.936 1063 HD13 LEU 45 3HD1 LEU 45 -16.184 8.610 -3.138 1064 HD21 LEU 45 3HD2 LEU 45 -12.685 7.933 -1.241 1065 HD22 LEU 45 1HD2 LEU 45 -12.890 7.869 -2.995 1066 HD23 LEU 45 2HD2 LEU 45 -12.965 6.389 -2.042 1067 H ASP 46 H ASP 46 -14.838 11.595 0.505 1068 HA ASP 46 HA ASP 46 -17.173 12.808 -0.447 1069 HB2 ASP 46 2HB ASP 46 -16.447 12.766 1.940 1070 HB3 ASP 46 1HB ASP 46 -15.226 13.976 1.549 1071 H ALA 47 H ALA 47 -13.819 13.557 -0.980 1072 HA ALA 47 HA ALA 47 -13.924 16.234 -1.663 1073 HB1 ALA 47 1HB ALA 47 -11.966 15.642 -3.199 1074 HB2 ALA 47 2HB ALA 47 -12.197 13.979 -2.660 1075 HB3 ALA 47 3HB ALA 47 -11.794 15.238 -1.491 1076 H GLN 48 H GLN 48 -15.028 13.469 -3.575 1077 HA GLN 48 HA GLN 48 -15.259 15.158 -5.956 1078 HB2 GLN 48 2HB GLN 48 -16.231 12.332 -5.520 1079 HB3 GLN 48 1HB GLN 48 -16.060 13.169 -7.065 1080 HG2 GLN 48 2HG GLN 48 -13.828 12.400 -5.164 1081 HG3 GLN 48 1HG GLN 48 -14.150 11.707 -6.755 1082 HE21 GLN 48 1HE2 GLN 48 -12.070 13.785 -5.292 1083 HE22 GLN 48 2HE2 GLN 48 -11.746 14.839 -6.584 1084 H LYS 49 H LYS 49 -16.959 16.416 -6.261 1085 HA LYS 49 HA LYS 49 -19.195 16.494 -4.572 1086 HB2 LYS 49 2HB LYS 49 -18.764 17.691 -7.306 1087 HB3 LYS 49 1HB LYS 49 -20.125 18.079 -6.254 1088 HG2 LYS 49 2HG LYS 49 -18.506 18.765 -4.479 1089 HG3 LYS 49 1HG LYS 49 -17.189 18.485 -5.618 1090 HD2 LYS 49 2HD LYS 49 -18.239 20.137 -7.173 1091 HD3 LYS 49 1HD LYS 49 -19.454 20.475 -5.939 1092 HE2 LYS 49 2HE LYS 49 -17.576 21.061 -4.363 1093 HE3 LYS 49 1HE LYS 49 -16.464 20.916 -5.725 1094 HZ1 LYS 49 3HZ LYS 49 -16.944 23.094 -5.932 1095 HZ2 LYS 49 1HZ LYS 49 -18.445 22.968 -5.154 1096 HZ3 LYS 49 2HZ LYS 49 -18.292 22.509 -6.783 1097 H ASP 50 H ASP 50 -18.797 14.911 -7.716 1098 HA ASP 50 HA ASP 50 -21.571 14.446 -8.101 1099 HB2 ASP 50 2HB ASP 50 -19.171 13.054 -9.280 1100 HB3 ASP 50 1HB ASP 50 -20.843 12.770 -9.776 1101 H VAL 51 H VAL 51 -22.857 12.721 -7.713 1102 HA VAL 51 HA VAL 51 -22.177 11.009 -5.502 1103 HB VAL 51 HB VAL 51 -24.407 10.186 -5.649 1104 HG11 VAL 51 1HG1 VAL 51 -24.937 12.932 -6.684 1105 HG12 VAL 51 2HG1 VAL 51 -23.898 12.795 -5.265 1106 HG13 VAL 51 3HG1 VAL 51 -25.534 12.139 -5.228 1107 HG21 VAL 51 3HG2 VAL 51 -24.549 9.611 -7.987 1108 HG22 VAL 51 1HG2 VAL 51 -24.391 11.297 -8.472 1109 HG23 VAL 51 2HG2 VAL 51 -25.849 10.751 -7.650 1110 H ASP 52 H ASP 52 -22.186 10.820 -8.957 1111 HA ASP 52 HA ASP 52 -21.915 7.936 -9.079 1112 HB2 ASP 52 2HB ASP 52 -21.659 10.105 -11.175 1113 HB3 ASP 52 1HB ASP 52 -21.515 8.382 -11.515 1114 H ALA 53 H ALA 53 -19.964 10.267 -8.009 1115 HA ALA 53 HA ALA 53 -17.528 10.011 -9.344 1116 HB1 ALA 53 1HB ALA 53 -18.011 11.678 -7.586 1117 HB2 ALA 53 2HB ALA 53 -16.515 10.783 -7.291 1118 HB3 ALA 53 3HB ALA 53 -17.975 10.385 -6.383 1119 H VAL 54 H VAL 54 -18.997 7.993 -6.810 1120 HA VAL 54 HA VAL 54 -16.746 6.368 -6.306 1121 HB VAL 54 HB VAL 54 -18.902 6.407 -4.982 1122 HG11 VAL 54 1HG1 VAL 54 -19.869 4.452 -7.078 1123 HG12 VAL 54 2HG1 VAL 54 -20.276 6.165 -7.159 1124 HG13 VAL 54 3HG1 VAL 54 -20.797 5.200 -5.781 1125 HG21 VAL 54 3HG2 VAL 54 -18.900 3.775 -4.836 1126 HG22 VAL 54 1HG2 VAL 54 -17.458 4.669 -4.355 1127 HG23 VAL 54 2HG2 VAL 54 -17.535 3.899 -5.944 1128 H ASP 55 H ASP 55 -19.378 6.118 -8.676 1129 HA ASP 55 HA ASP 55 -18.598 3.643 -9.782 1130 HB2 ASP 55 2HB ASP 55 -20.785 4.825 -10.196 1131 HB3 ASP 55 1HB ASP 55 -19.915 5.938 -11.251 1132 H LYS 56 H LYS 56 -17.736 6.994 -10.525 1133 HA LYS 56 HA LYS 56 -16.119 6.445 -12.773 1134 HB2 LYS 56 2HB LYS 56 -15.977 8.693 -10.752 1135 HB3 LYS 56 1HB LYS 56 -15.090 8.659 -12.277 1136 HG2 LYS 56 2HG LYS 56 -17.260 8.424 -13.489 1137 HG3 LYS 56 1HG LYS 56 -18.104 8.591 -11.949 1138 HD2 LYS 56 2HD LYS 56 -16.999 10.807 -11.629 1139 HD3 LYS 56 1HD LYS 56 -16.286 10.648 -13.235 1140 HE2 LYS 56 2HE LYS 56 -19.168 11.032 -12.477 1141 HE3 LYS 56 1HE LYS 56 -18.217 11.880 -13.696 1142 HZ1 LYS 56 3HZ LYS 56 -18.089 9.605 -14.824 1143 HZ2 LYS 56 1HZ LYS 56 -19.553 10.457 -14.922 1144 HZ3 LYS 56 2HZ LYS 56 -19.391 9.174 -13.820 1145 H VAL 57 H VAL 57 -15.403 6.537 -9.304 1146 HA VAL 57 HA VAL 57 -12.595 6.283 -9.532 1147 HB VAL 57 HB VAL 57 -14.490 5.530 -7.300 1148 HG11 VAL 57 1HG1 VAL 57 -12.248 5.726 -5.976 1149 HG12 VAL 57 2HG1 VAL 57 -11.493 5.400 -7.536 1150 HG13 VAL 57 3HG1 VAL 57 -12.601 4.224 -6.830 1151 HG21 VAL 57 3HG2 VAL 57 -13.919 7.619 -6.341 1152 HG22 VAL 57 1HG2 VAL 57 -14.146 7.986 -8.053 1153 HG23 VAL 57 2HG2 VAL 57 -12.519 7.815 -7.398 1154 H MET 58 H MET 58 -15.137 3.821 -9.047 1155 HA MET 58 HA MET 58 -13.316 1.681 -8.821 1156 HB2 MET 58 2HB MET 58 -15.126 0.258 -8.670 1157 HB3 MET 58 1HB MET 58 -15.771 1.785 -8.084 1158 HG2 MET 58 2HG MET 58 -17.447 1.230 -9.542 1159 HG3 MET 58 1HG MET 58 -16.392 2.062 -10.673 1160 HE1 MET 58 3HE MET 58 -17.164 -1.007 -8.859 1161 HE2 MET 58 1HE MET 58 -16.821 -2.388 -9.908 1162 HE3 MET 58 2HE MET 58 -18.268 -1.417 -10.169 1163 H LYS 59 H LYS 59 -14.789 3.050 -11.758 1164 HA LYS 59 HA LYS 59 -14.208 0.839 -13.417 1165 HB2 LYS 59 2HB LYS 59 -14.262 3.770 -14.180 1166 HB3 LYS 59 1HB LYS 59 -14.265 2.419 -15.314 1167 HG2 LYS 59 2HG LYS 59 -16.389 2.882 -13.228 1168 HG3 LYS 59 1HG LYS 59 -16.523 3.305 -14.932 1169 HD2 LYS 59 2HD LYS 59 -15.715 0.707 -15.153 1170 HD3 LYS 59 1HD LYS 59 -16.592 0.633 -13.623 1171 HE2 LYS 59 2HE LYS 59 -17.670 1.809 -16.176 1172 HE3 LYS 59 1HE LYS 59 -18.060 0.194 -15.579 1173 HZ1 LYS 59 3HZ LYS 59 -18.479 1.946 -13.473 1174 HZ2 LYS 59 1HZ LYS 59 -19.657 1.115 -14.366 1175 HZ3 LYS 59 2HZ LYS 59 -19.186 2.679 -14.833 1176 H GLU 60 H GLU 60 -12.238 3.587 -12.390 1177 HA GLU 60 HA GLU 60 -9.996 3.028 -14.031 1178 HB2 GLU 60 2HB GLU 60 -10.346 5.166 -12.813 1179 HB3 GLU 60 1HB GLU 60 -10.045 4.324 -11.296 1180 HG2 GLU 60 2HG GLU 60 -7.804 3.656 -12.148 1181 HG3 GLU 60 1HG GLU 60 -8.104 4.595 -13.604 1182 H LEU 61 H LEU 61 -10.961 1.967 -10.817 1183 HA LEU 61 HA LEU 61 -8.558 0.594 -10.228 1184 HB2 LEU 61 2HB LEU 61 -11.313 0.133 -9.082 1185 HB3 LEU 61 1HB LEU 61 -9.802 -0.455 -8.399 1186 HG LEU 61 HG LEU 61 -10.605 2.450 -8.715 1187 HD11 LEU 61 1HD1 LEU 61 -9.983 1.058 -6.134 1188 HD12 LEU 61 2HD1 LEU 61 -11.577 0.858 -6.862 1189 HD13 LEU 61 3HD1 LEU 61 -11.006 2.466 -6.423 1190 HD21 LEU 61 3HD2 LEU 61 -8.018 1.122 -7.938 1191 HD22 LEU 61 1HD2 LEU 61 -8.479 2.629 -7.173 1192 HD23 LEU 61 2HD2 LEU 61 -8.276 2.581 -8.912 1193 H ASP 62 H ASP 62 -11.536 -0.442 -11.818 1194 HA ASP 62 HA ASP 62 -10.814 -3.200 -11.657 1195 HB2 ASP 62 2HB ASP 62 -13.140 -2.299 -12.088 1196 HB3 ASP 62 1HB ASP 62 -12.610 -1.977 -13.739 1197 H GLU 63 H GLU 63 -8.510 -2.821 -12.272 1198 HA GLU 63 HA GLU 63 -7.824 -2.217 -14.992 1199 HB2 GLU 63 2HB GLU 63 -6.135 -2.228 -13.173 1200 HB3 GLU 63 1HB GLU 63 -6.368 -3.967 -12.982 1201 HG2 GLU 63 2HG GLU 63 -5.688 -4.313 -15.325 1202 HG3 GLU 63 1HG GLU 63 -5.420 -2.589 -15.502 1203 H ASN 64 H ASN 64 -8.651 -4.919 -13.127 1204 HA ASN 64 HA ASN 64 -8.257 -7.035 -14.858 1205 HB2 ASN 64 2HB ASN 64 -8.597 -7.167 -12.466 1206 HB3 ASN 64 1HB ASN 64 -10.209 -6.509 -12.638 1207 HD21 ASN 64 1HD2 ASN 64 -8.351 -9.278 -14.039 1208 HD22 ASN 64 2HD2 ASN 64 -9.633 -10.377 -13.868 1209 H GLY 65 H GLY 65 -11.024 -4.847 -14.456 1210 HA2 GLY 65 2HA GLY 65 -12.647 -4.260 -16.003 1211 HA3 GLY 65 1HA GLY 65 -11.926 -5.390 -17.138 1212 H ASP 66 H ASP 66 -12.758 -6.652 -14.012 1213 HA ASP 66 HA ASP 66 -14.806 -8.299 -15.282 1214 HB2 ASP 66 2HB ASP 66 -14.729 -9.602 -13.200 1215 HB3 ASP 66 1HB ASP 66 -13.117 -9.374 -13.871 1216 H GLY 67 H GLY 67 -14.931 -5.331 -13.927 1217 HA2 GLY 67 2HA GLY 67 -16.887 -4.106 -13.486 1218 HA3 GLY 67 1HA GLY 67 -17.771 -5.621 -13.312 1219 H GLU 68 H GLU 68 -15.117 -6.161 -11.628 1220 HA GLU 68 HA GLU 68 -16.156 -5.070 -9.079 1221 HB2 GLU 68 2HB GLU 68 -14.791 -7.705 -9.598 1222 HB3 GLU 68 1HB GLU 68 -15.138 -7.073 -7.999 1223 HG2 GLU 68 2HG GLU 68 -16.918 -8.529 -8.375 1224 HG3 GLU 68 1HG GLU 68 -17.599 -6.965 -8.847 1225 H VAL 69 H VAL 69 -14.547 -4.777 -7.425 1226 HA VAL 69 HA VAL 69 -11.903 -4.068 -8.532 1227 HB VAL 69 HB VAL 69 -13.169 -3.214 -5.917 1228 HG11 VAL 69 1HG1 VAL 69 -10.718 -2.285 -7.405 1229 HG12 VAL 69 2HG1 VAL 69 -10.770 -3.063 -5.821 1230 HG13 VAL 69 3HG1 VAL 69 -11.408 -1.434 -6.026 1231 HG21 VAL 69 3HG2 VAL 69 -13.273 -0.962 -7.196 1232 HG22 VAL 69 1HG2 VAL 69 -14.525 -2.169 -7.481 1233 HG23 VAL 69 2HG2 VAL 69 -13.207 -1.973 -8.640 1234 H ASP 70 H ASP 70 -10.195 -5.380 -7.873 1235 HA ASP 70 HA ASP 70 -10.918 -7.424 -5.855 1236 HB2 ASP 70 2HB ASP 70 -9.246 -8.833 -6.749 1237 HB3 ASP 70 1HB ASP 70 -10.072 -8.129 -8.131 1238 H PHE 71 H PHE 71 -9.025 -8.209 -4.526 1239 HA PHE 71 HA PHE 71 -8.336 -6.289 -2.653 1240 HB2 PHE 71 2HB PHE 71 -8.247 -8.870 -2.600 1241 HB3 PHE 71 1HB PHE 71 -6.648 -8.703 -3.303 1242 HD1 PHE 71 1HD PHE 71 -6.497 -5.883 -1.431 1243 HD2 PHE 71 2HD PHE 71 -6.985 -10.103 -0.821 1244 HE1 PHE 71 1HE PHE 71 -5.532 -5.664 0.828 1245 HE2 PHE 71 2HE PHE 71 -6.034 -9.865 1.442 1246 HZ PHE 71 HZ PHE 71 -5.311 -7.656 2.255 1247 H GLN 72 H GLN 72 -6.388 -7.508 -5.409 1248 HA GLN 72 HA GLN 72 -4.061 -5.995 -4.833 1249 HB2 GLN 72 2HB GLN 72 -5.126 -7.042 -7.470 1250 HB3 GLN 72 1HB GLN 72 -3.511 -6.368 -7.243 1251 HG2 GLN 72 2HG GLN 72 -3.022 -8.078 -5.553 1252 HG3 GLN 72 1HG GLN 72 -4.631 -8.748 -5.725 1253 HE21 GLN 72 1HE2 GLN 72 -2.396 -10.375 -6.179 1254 HE22 GLN 72 2HE2 GLN 72 -2.298 -10.737 -7.829 1255 H GLU 73 H GLU 73 -6.942 -5.197 -6.780 1256 HA GLU 73 HA GLU 73 -5.993 -2.756 -7.839 1257 HB2 GLU 73 2HB GLU 73 -8.785 -3.704 -7.195 1258 HB3 GLU 73 1HB GLU 73 -8.433 -2.262 -8.139 1259 HG2 GLU 73 2HG GLU 73 -7.256 -3.688 -9.812 1260 HG3 GLU 73 1HG GLU 73 -7.687 -5.115 -8.880 1261 H TYR 74 H TYR 74 -7.822 -3.608 -4.956 1262 HA TYR 74 HA TYR 74 -8.269 -1.022 -3.910 1263 HB2 TYR 74 2HB TYR 74 -9.455 -3.090 -3.204 1264 HB3 TYR 74 1HB TYR 74 -7.969 -3.657 -2.446 1265 HD1 TYR 74 1HD TYR 74 -10.617 -1.084 -2.349 1266 HD2 TYR 74 2HD TYR 74 -7.198 -2.746 -0.353 1267 HE1 TYR 74 1HE TYR 74 -11.190 0.188 -0.305 1268 HE2 TYR 74 2HE TYR 74 -7.771 -1.464 1.692 1269 HH TYR 74 HH TYR 74 -10.740 0.487 1.852 1270 H VAL 75 H VAL 75 -5.762 -3.397 -3.512 1271 HA VAL 75 HA VAL 75 -4.288 -2.162 -1.470 1272 HB VAL 75 HB VAL 75 -4.035 -4.553 -2.995 1273 HG11 VAL 75 1HG1 VAL 75 -1.583 -4.609 -3.440 1274 HG12 VAL 75 2HG1 VAL 75 -1.554 -2.867 -3.266 1275 HG13 VAL 75 3HG1 VAL 75 -2.488 -3.596 -4.558 1276 HG21 VAL 75 3HG2 VAL 75 -2.146 -4.996 -1.334 1277 HG22 VAL 75 1HG2 VAL 75 -3.730 -4.618 -0.654 1278 HG23 VAL 75 2HG2 VAL 75 -2.463 -3.384 -0.699 1279 H VAL 76 H VAL 76 -3.921 -1.931 -5.035 1280 HA VAL 76 HA VAL 76 -1.772 -0.062 -4.739 1281 HB VAL 76 HB VAL 76 -1.997 0.423 -7.095 1282 HG11 VAL 76 1HG1 VAL 76 -1.117 -1.847 -6.186 1283 HG12 VAL 76 2HG1 VAL 76 -1.484 -1.730 -7.909 1284 HG13 VAL 76 3HG1 VAL 76 -2.624 -2.514 -6.817 1285 HG21 VAL 76 3HG2 VAL 76 -4.488 -1.274 -7.107 1286 HG22 VAL 76 1HG2 VAL 76 -3.830 -0.336 -8.438 1287 HG23 VAL 76 2HG2 VAL 76 -4.546 0.481 -7.050 1288 H LEU 77 H LEU 77 -5.329 0.272 -4.889 1289 HA LEU 77 HA LEU 77 -5.385 3.068 -5.230 1290 HB2 LEU 77 2HB LEU 77 -7.442 1.789 -5.288 1291 HB3 LEU 77 1HB LEU 77 -7.214 1.266 -3.626 1292 HG LEU 77 HG LEU 77 -7.387 3.721 -2.940 1293 HD11 LEU 77 1HD1 LEU 77 -7.131 4.396 -5.551 1294 HD12 LEU 77 2HD1 LEU 77 -7.973 5.394 -4.377 1295 HD13 LEU 77 3HD1 LEU 77 -8.885 4.333 -5.431 1296 HD21 LEU 77 3HD2 LEU 77 -9.620 2.129 -4.148 1297 HD22 LEU 77 1HD2 LEU 77 -9.942 3.712 -3.444 1298 HD23 LEU 77 2HD2 LEU 77 -9.256 2.428 -2.450 1299 H VAL 78 H VAL 78 -5.253 1.239 -2.130 1300 HA VAL 78 HA VAL 78 -5.095 3.668 -0.633 1301 HB VAL 78 HB VAL 78 -4.425 2.325 1.310 1302 HG11 VAL 78 1HG1 VAL 78 -6.783 1.636 -0.378 1303 HG12 VAL 78 2HG1 VAL 78 -6.705 2.419 1.203 1304 HG13 VAL 78 3HG1 VAL 78 -6.486 0.675 1.072 1305 HG21 VAL 78 3HG2 VAL 78 -4.166 -0.057 1.208 1306 HG22 VAL 78 1HG2 VAL 78 -3.065 0.625 0.019 1307 HG23 VAL 78 2HG2 VAL 78 -4.585 -0.107 -0.498 1308 H ALA 79 H ALA 79 -2.626 1.531 -2.000 1309 HA ALA 79 HA ALA 79 -0.469 2.789 -0.583 1310 HB1 ALA 79 1HB ALA 79 0.898 1.385 -1.729 1311 HB2 ALA 79 2HB ALA 79 0.058 1.626 -3.265 1312 HB3 ALA 79 3HB ALA 79 -0.618 0.560 -2.045 1313 H ALA 80 H ALA 80 -1.730 3.261 -3.879 1314 HA ALA 80 HA ALA 80 0.076 5.308 -4.595 1315 HB1 ALA 80 1HB ALA 80 -1.691 5.867 -6.321 1316 HB2 ALA 80 2HB ALA 80 -2.687 4.603 -5.601 1317 HB3 ALA 80 3HB ALA 80 -1.131 4.192 -6.329 1318 H LEU 81 H LEU 81 -3.117 5.305 -3.024 1319 HA LEU 81 HA LEU 81 -3.318 8.146 -2.935 1320 HB2 LEU 81 2HB LEU 81 -4.723 5.899 -1.583 1321 HB3 LEU 81 1HB LEU 81 -4.823 7.493 -0.840 1322 HG LEU 81 HG LEU 81 -5.697 8.463 -2.907 1323 HD11 LEU 81 1HD1 LEU 81 -4.419 6.830 -4.436 1324 HD12 LEU 81 2HD1 LEU 81 -6.039 7.296 -4.928 1325 HD13 LEU 81 3HD1 LEU 81 -5.769 5.733 -4.180 1326 HD21 LEU 81 3HD2 LEU 81 -7.859 7.312 -3.047 1327 HD22 LEU 81 1HD2 LEU 81 -7.331 7.408 -1.368 1328 HD23 LEU 81 2HD2 LEU 81 -7.180 5.892 -2.259 1329 H THR 82 H THR 82 -1.734 5.743 -0.861 1330 HA THR 82 HA THR 82 -1.236 7.480 1.326 1331 HB THR 82 HB THR 82 0.500 5.205 0.343 1332 HG1 THR 82 1HG THR 82 -1.301 4.837 2.398 1333 HG21 THR 82 3HG2 THR 82 0.612 5.152 3.043 1334 HG22 THR 82 1HG2 THR 82 0.404 6.883 2.794 1335 HG23 THR 82 2HG2 THR 82 1.767 6.044 2.052 1336 H VAL 83 H VAL 83 0.837 6.649 -1.482 1337 HA VAL 83 HA VAL 83 2.885 8.482 -0.717 1338 HB VAL 83 HB VAL 83 3.356 6.692 -2.348 1339 HG11 VAL 83 1HG1 VAL 83 1.154 7.062 -3.619 1340 HG12 VAL 83 2HG1 VAL 83 2.569 6.724 -4.570 1341 HG13 VAL 83 3HG1 VAL 83 1.975 8.378 -4.433 1342 HG21 VAL 83 3HG2 VAL 83 3.807 9.299 -3.775 1343 HG22 VAL 83 1HG2 VAL 83 4.919 7.946 -3.549 1344 HG23 VAL 83 2HG2 VAL 83 4.553 9.019 -2.198 1345 H ALA 84 H ALA 84 -0.003 8.866 -2.719 1346 HA ALA 84 HA ALA 84 0.608 11.493 -3.609 1347 HB1 ALA 84 1HB ALA 84 -2.143 10.333 -3.142 1348 HB2 ALA 84 2HB ALA 84 -1.158 9.963 -4.558 1349 HB3 ALA 84 3HB ALA 84 -1.693 11.618 -4.265 1350 H CYS 85 H CHC 85 -0.901 10.168 -0.731 1351 HA CYS 85 HA CHC 85 -1.961 12.537 0.355 1352 HB2 CYS 85 2HB CHC 85 -2.335 10.109 1.113 1353 HB3 CYS 85 1HB CHC 85 -0.817 10.283 1.994 1354 H ASN 86 H ASN 86 1.118 10.841 1.038 1355 HA ASN 86 HA ASN 86 2.147 12.870 2.700 1356 HB2 ASN 86 2HB ASN 86 3.154 10.564 2.307 1357 HB3 ASN 86 1HB ASN 86 3.830 11.220 0.815 1358 HD21 ASN 86 1HD2 ASN 86 5.872 12.147 1.051 1359 HD22 ASN 86 2HD2 ASN 86 6.501 12.755 2.505 1360 H ASN 87 H ASN 87 2.162 12.463 -0.830 1361 HA ASN 87 HA ASN 87 3.889 14.580 -1.470 1362 HB2 ASN 87 2HB ASN 87 2.873 12.862 -3.066 1363 HB3 ASN 87 1HB ASN 87 1.439 13.889 -3.074 1364 HD21 ASN 87 1HD2 ASN 87 1.427 15.381 -4.742 1365 HD22 ASN 87 2HD2 ASN 87 2.812 16.058 -5.452 1366 H PHE 88 H PHE 88 0.365 14.602 -0.826 1367 HA PHE 88 HA PHE 88 0.104 17.382 -1.413 1368 HB2 PHE 88 2HB PHE 88 -1.657 15.527 0.193 1369 HB3 PHE 88 1HB PHE 88 -2.044 17.223 -0.093 1370 HD1 PHE 88 1HD PHE 88 -1.989 18.025 -2.577 1371 HD2 PHE 88 2HD PHE 88 -2.313 13.915 -1.390 1372 HE1 PHE 88 1HE PHE 88 -2.938 17.458 -4.796 1373 HE2 PHE 88 2HE PHE 88 -3.244 13.341 -3.612 1374 HZ PHE 88 HZ PHE 88 -3.560 15.114 -5.316 1375 H PHE 89 H PHE 89 0.702 15.571 1.578 1376 HA PHE 89 HA PHE 89 0.453 17.713 3.365 1377 HB2 PHE 89 2HB PHE 89 0.670 15.331 4.031 1378 HB3 PHE 89 1HB PHE 89 2.375 15.388 3.579 1379 HD1 PHE 89 2HD PHE 89 -0.179 16.722 5.909 1380 HD2 PHE 89 1HD PHE 89 4.004 16.514 4.954 1381 HE1 PHE 89 2HE PHE 89 0.376 17.689 8.126 1382 HE2 PHE 89 1HE PHE 89 4.559 17.481 7.169 1383 HZ PHE 89 HZ PHE 89 2.745 18.068 8.756 1384 H TRP 90 H TRP 90 3.326 16.572 1.589 1385 HA TRP 90 HA TRP 90 4.950 18.740 2.648 1386 HB2 TRP 90 2HB TRP 90 5.984 16.585 2.370 1387 HB3 TRP 90 1HB TRP 90 5.564 16.581 0.654 1388 HD1 TRP 90 HD TRP 90 6.581 18.583 -0.792 1389 HE1 TRP 90 1HE TRP 90 8.877 19.724 -0.696 1390 HE3 TRP 90 3HE TRP 90 7.931 17.263 3.918 1391 HZ2 TRP 90 2HZ TRP 90 11.034 20.028 1.188 1392 HZ3 TRP 90 3HZ TRP 90 10.109 17.986 4.854 1393 HH2 TRP 90 HH TRP 90 11.660 19.364 3.497 1394 H GLU 91 H GLU 91 4.113 17.714 -0.630 1395 HA GLU 91 HA GLU 91 5.183 19.952 -1.900 1396 HB2 GLU 91 2HB GLU 91 4.436 17.639 -2.806 1397 HB3 GLU 91 1HB GLU 91 2.875 18.418 -3.056 1398 HG2 GLU 91 2HG GLU 91 5.487 19.590 -4.070 1399 HG3 GLU 91 1HG GLU 91 4.481 18.509 -5.036 1400 H ASN 92 H ASN 92 1.873 19.490 -0.663 1401 HA ASN 92 HA ASN 92 0.708 21.690 -1.956 1402 HB2 ASN 92 2HB ASN 92 -0.524 19.971 -0.602 1403 HB3 ASN 92 1HB ASN 92 0.034 20.802 0.852 1404 HD21 ASN 92 1HD2 ASN 92 -2.642 20.825 0.703 1405 HD22 ASN 92 2HD2 ASN 92 -3.249 22.298 0.117 1406 H SER 93 H SER 93 2.682 21.521 0.952 1407 HA SER 93 HA SER 93 2.716 24.485 1.029 1408 HB2 SER 93 2HB SER 93 1.611 23.638 3.014 1409 HB3 SER 93 1HB SER 93 2.927 22.507 3.310 1410 HG SER 93 HG SER 93 4.225 24.611 3.227 1411 H1 HCS 201 1HT CHC 85 1.188 -14.250 7.620 1412 H2 HCS 201 2HT CHC 85 1.841 -14.316 9.188 1413 H HCS 201 3HT CHC 85 2.852 -14.501 7.834 1414 HCA HCS 201 HH CHC 85 2.550 -12.248 7.183 1415 HB2 HCS 201 1HZ CHC 85 0.868 -11.710 9.606 1416 HB3 HCS 201 2HZ CHC 85 0.095 -12.400 8.180 1417 HG2 HCS 201 1HE CHC 85 1.919 -10.073 7.747 1418 HG3 HCS 201 2HE CHC 85 0.365 -9.748 8.513 1419 H1 HCS 201 1HT CHC 85 -2.764 15.135 5.083 1420 H2 HCS 201 2HT CHC 85 -3.777 15.402 6.420 1421 H HCS 201 3HT CHC 85 -4.426 15.384 4.850 1422 HCA HCS 201 HH CHC 85 -4.013 13.068 4.606 1423 HB2 HCS 201 1HZ CHC 85 -2.978 12.895 7.415 1424 HB3 HCS 201 2HZ CHC 85 -1.872 13.398 6.139 1425 HG2 HCS 201 1HE CHC 85 -3.574 11.003 5.597 1426 HG3 HCS 201 2HE CHC 85 -2.258 10.812 6.756 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -10.698 9.879 14.674 2 HA2 GLY 1 2HA GLY 1 -8.816 8.942 13.078 3 HA3 GLY 1 1HA GLY 1 -9.036 8.192 14.656 4 H SER 2 H SER 2 -8.565 7.422 11.571 5 HA SER 2 HA SER 2 -10.298 5.018 11.668 6 HB2 SER 2 2HB SER 2 -10.876 6.498 9.809 7 HB3 SER 2 1HB SER 2 -9.203 6.492 9.267 8 HG SER 2 HG SER 2 -9.652 4.712 8.272 9 H GLU 3 H GLU 3 -9.353 3.042 11.425 10 HA GLU 3 HA GLU 3 -6.599 2.762 11.972 11 HB2 GLU 3 2HB GLU 3 -8.630 0.785 10.934 12 HB3 GLU 3 1HB GLU 3 -7.004 0.348 11.452 13 HG2 GLU 3 2HG GLU 3 -7.466 1.322 13.675 14 HG3 GLU 3 1HG GLU 3 -9.109 1.694 13.159 15 H LEU 4 H LEU 4 -8.399 2.513 8.886 16 HA LEU 4 HA LEU 4 -6.223 1.485 7.382 17 HB2 LEU 4 2HB LEU 4 -8.725 1.774 6.740 18 HB3 LEU 4 1HB LEU 4 -8.248 3.406 6.270 19 HG LEU 4 HG LEU 4 -6.881 0.891 5.278 20 HD11 LEU 4 1HD1 LEU 4 -8.761 2.530 3.600 21 HD12 LEU 4 2HD1 LEU 4 -9.359 1.209 4.605 22 HD13 LEU 4 3HD1 LEU 4 -8.171 0.891 3.342 23 HD21 LEU 4 3HD2 LEU 4 -6.385 2.734 3.379 24 HD22 LEU 4 1HD2 LEU 4 -5.337 2.449 4.760 25 HD23 LEU 4 2HD2 LEU 4 -6.478 3.793 4.784 26 H GLU 5 H GLU 5 -7.337 4.759 8.112 27 HA GLU 5 HA GLU 5 -5.442 6.174 6.559 28 HB2 GLU 5 2HB GLU 5 -7.617 6.995 7.746 29 HB3 GLU 5 1HB GLU 5 -6.572 7.224 9.145 30 HG2 GLU 5 2HG GLU 5 -5.965 8.386 6.416 31 HG3 GLU 5 1HG GLU 5 -6.853 9.258 7.658 32 H THR 6 H THR 6 -5.472 4.946 9.864 33 HA THR 6 HA THR 6 -3.063 6.108 10.749 34 HB THR 6 HB THR 6 -4.209 3.415 11.534 35 HG1 THR 6 1HG THR 6 -4.618 5.653 13.090 36 HG21 THR 6 3HG2 THR 6 -1.884 3.861 12.277 37 HG22 THR 6 1HG2 THR 6 -3.011 3.810 13.633 38 HG23 THR 6 2HG2 THR 6 -2.428 5.360 13.028 39 H ALA 7 H ALA 7 -3.807 3.135 8.999 40 HA ALA 7 HA ALA 7 -1.190 2.055 8.992 41 HB1 ALA 7 1HB ALA 7 -3.180 1.712 6.753 42 HB2 ALA 7 2HB ALA 7 -3.407 0.933 8.318 43 HB3 ALA 7 3HB ALA 7 -1.988 0.556 7.344 44 H MET 8 H MET 8 -2.916 4.187 6.714 45 HA MET 8 HA MET 8 -0.876 4.368 4.754 46 HB2 MET 8 2HB MET 8 -2.974 6.369 5.659 47 HB3 MET 8 1HB MET 8 -1.983 6.568 4.214 48 HG2 MET 8 2HG MET 8 -2.865 4.448 3.310 49 HG3 MET 8 1HG MET 8 -3.853 4.239 4.740 50 HE1 MET 8 3HE MET 8 -3.117 5.990 1.553 51 HE2 MET 8 1HE MET 8 -3.105 7.509 2.459 52 HE3 MET 8 2HE MET 8 -4.385 7.183 1.294 53 H GLU 9 H GLU 9 -1.489 6.180 7.723 54 HA GLU 9 HA GLU 9 0.638 8.030 7.437 55 HB2 GLU 9 2HB GLU 9 -0.799 7.017 9.900 56 HB3 GLU 9 1HB GLU 9 0.369 8.336 9.911 57 HG2 GLU 9 2HG GLU 9 -2.179 8.283 8.270 58 HG3 GLU 9 1HG GLU 9 -1.964 9.172 9.775 59 H THR 10 H THR 10 0.413 4.757 8.785 60 HA THR 10 HA THR 10 2.949 4.786 10.037 61 HB THR 10 HB THR 10 1.481 2.422 8.861 62 HG1 THR 10 1HG THR 10 0.515 3.939 10.568 63 HG21 THR 10 3HG2 THR 10 3.601 2.665 11.015 64 HG22 THR 10 1HG2 THR 10 3.832 1.968 9.408 65 HG23 THR 10 2HG2 THR 10 2.770 1.173 10.575 66 H LEU 11 H LEU 11 1.869 3.826 6.766 67 HA LEU 11 HA LEU 11 4.408 2.910 5.904 68 HB2 LEU 11 2HB LEU 11 2.320 4.281 4.195 69 HB3 LEU 11 1HB LEU 11 3.583 3.194 3.636 70 HG LEU 11 HG LEU 11 1.195 2.490 5.351 71 HD11 LEU 11 1HD1 LEU 11 2.037 1.929 2.525 72 HD12 LEU 11 2HD1 LEU 11 0.495 2.542 3.122 73 HD13 LEU 11 3HD1 LEU 11 0.923 0.848 3.363 74 HD21 LEU 11 3HD2 LEU 11 3.690 0.933 4.717 75 HD22 LEU 11 1HD2 LEU 11 2.154 0.105 4.963 76 HD23 LEU 11 2HD2 LEU 11 2.829 1.090 6.260 77 H ILE 12 H ILE 12 2.841 6.086 5.838 78 HA ILE 12 HA ILE 12 4.947 7.419 4.482 79 HB ILE 12 HB ILE 12 2.926 8.495 6.451 80 HG12 ILE 12 2HG1 ILE 12 2.998 8.661 3.429 81 HG13 ILE 12 1HG1 ILE 12 2.092 7.432 4.292 82 HG21 ILE 12 1HG2 ILE 12 4.755 10.046 6.352 83 HG22 ILE 12 2HG2 ILE 12 3.489 10.684 5.302 84 HG23 ILE 12 3HG2 ILE 12 4.888 9.870 4.603 85 HD11 ILE 12 3HD1 ILE 12 0.607 9.014 5.217 86 HD12 ILE 12 1HD1 ILE 12 0.864 9.616 3.577 87 HD13 ILE 12 2HD1 ILE 12 1.721 10.352 4.933 88 H ASN 13 H ASN 13 4.335 6.973 7.951 89 HA ASN 13 HA ASN 13 6.482 8.521 8.878 90 HB2 ASN 13 2HB ASN 13 5.095 6.149 10.119 91 HB3 ASN 13 1HB ASN 13 6.229 7.193 10.972 92 HD21 ASN 13 1HD2 ASN 13 3.493 6.980 11.798 93 HD22 ASN 13 2HD2 ASN 13 2.732 8.469 11.510 94 H VAL 14 H VAL 14 6.383 5.028 8.077 95 HA VAL 14 HA VAL 14 9.085 4.676 8.987 96 HB VAL 14 HB VAL 14 8.979 2.417 8.151 97 HG11 VAL 14 1HG1 VAL 14 7.393 1.661 9.643 98 HG12 VAL 14 2HG1 VAL 14 6.181 2.828 9.122 99 HG13 VAL 14 3HG1 VAL 14 7.509 3.341 10.160 100 HG21 VAL 14 3HG2 VAL 14 6.825 1.657 6.996 101 HG22 VAL 14 1HG2 VAL 14 7.953 2.575 6.001 102 HG23 VAL 14 2HG2 VAL 14 6.516 3.349 6.659 103 H PHE 15 H PHE 15 7.624 5.189 5.759 104 HA PHE 15 HA PHE 15 10.034 4.849 4.305 105 HB2 PHE 15 2HB PHE 15 7.872 4.983 3.170 106 HB3 PHE 15 1HB PHE 15 7.677 6.655 3.704 107 HD1 PHE 15 1HD PHE 15 10.005 4.426 1.789 108 HD2 PHE 15 2HD PHE 15 8.567 8.414 2.464 109 HE1 PHE 15 1HE PHE 15 11.347 5.247 -0.122 110 HE2 PHE 15 2HE PHE 15 9.901 9.226 0.543 111 HZ PHE 15 HZ PHE 15 11.296 7.639 -0.753 112 H HIS 16 H HIS 16 8.500 7.695 5.730 113 HA HIS 16 HA HIS 16 10.571 9.501 5.051 114 HB2 HIS 16 2HB HIS 16 8.283 10.236 5.709 115 HB3 HIS 16 1HB HIS 16 8.607 9.675 7.350 116 HD1 HIS 16 1HD HIS 16 10.290 11.991 4.814 117 HD2 HIS 16 2HD HIS 16 9.656 11.678 8.923 118 HE1 HIS 16 1HE HIS 16 11.310 14.063 5.856 119 HE2 HIS 16 2HE HIS 16 10.932 13.887 8.360 120 H ALA 17 H ALA 17 10.058 7.322 7.744 121 HA ALA 17 HA ALA 17 11.980 8.399 9.456 122 HB1 ALA 17 1HB ALA 17 10.449 6.490 10.024 123 HB2 ALA 17 2HB ALA 17 12.133 6.178 10.438 124 HB3 ALA 17 3HB ALA 17 11.432 5.442 8.990 125 H HIS 18 H HIS 18 12.347 5.850 6.945 126 HA HIS 18 HA HIS 18 15.236 5.997 7.333 127 HB2 HIS 18 2HB HIS 18 13.489 4.349 5.556 128 HB3 HIS 18 1HB HIS 18 15.242 4.369 5.350 129 HD1 HIS 18 1HD HIS 18 16.543 2.874 6.885 130 HD2 HIS 18 2HD HIS 18 12.766 3.722 8.414 131 HE1 HIS 18 1HE HIS 18 16.348 1.620 9.076 132 HE2 HIS 18 2HE HIS 18 14.054 2.124 10.017 133 H SER 19 H SER 19 13.150 6.871 4.490 134 HA SER 19 HA SER 19 15.306 7.761 2.940 135 HB2 SER 19 2HB SER 19 12.998 7.513 2.046 136 HB3 SER 19 1HB SER 19 12.534 8.963 2.925 137 HG SER 19 HG SER 19 14.379 8.682 0.776 138 H GLY 20 H GLY 20 13.334 9.380 5.380 139 HA2 GLY 20 2HA GLY 20 14.531 11.960 5.193 140 HA3 GLY 20 1HA GLY 20 13.544 11.376 6.498 141 H LYS 21 H LYS 21 15.066 9.190 7.352 142 HA LYS 21 HA LYS 21 16.931 10.456 9.044 143 HB2 LYS 21 2HB LYS 21 15.921 8.299 9.550 144 HB3 LYS 21 1HB LYS 21 16.822 7.544 8.238 145 HG2 LYS 21 2HG LYS 21 18.924 8.168 9.400 146 HG3 LYS 21 1HG LYS 21 17.973 8.887 10.697 147 HD2 LYS 21 2HD LYS 21 18.567 6.626 11.353 148 HD3 LYS 21 1HD LYS 21 16.841 6.680 11.030 149 HE2 LYS 21 2HE LYS 21 18.488 6.048 8.659 150 HE3 LYS 21 1HE LYS 21 18.570 4.839 9.943 151 HZ1 LYS 21 3HZ LYS 21 16.249 4.566 9.910 152 HZ2 LYS 21 1HZ LYS 21 16.729 4.555 8.284 153 HZ3 LYS 21 2HZ LYS 21 16.010 5.944 8.947 154 H GLU 22 H GLU 22 17.498 8.689 5.978 155 HA GLU 22 HA GLU 22 20.210 9.886 5.970 156 HB2 GLU 22 2HB GLU 22 19.471 7.098 5.146 157 HB3 GLU 22 1HB GLU 22 21.034 7.843 4.811 158 HG2 GLU 22 2HG GLU 22 21.332 8.214 7.250 159 HG3 GLU 22 1HG GLU 22 19.810 7.387 7.530 160 H GLY 23 H GLY 23 21.131 10.368 3.952 161 HA2 GLY 23 2HA GLY 23 21.130 11.195 1.810 162 HA3 GLY 23 1HA GLY 23 20.099 9.822 1.434 163 H ASP 24 H ASP 24 18.862 10.953 -0.052 164 HA ASP 24 HA ASP 24 17.570 13.433 0.557 165 HB2 ASP 24 2HB ASP 24 17.050 11.375 -1.590 166 HB3 ASP 24 1HB ASP 24 16.230 12.929 -1.498 167 H LYS 25 H LYS 25 15.558 13.816 1.307 168 HA LYS 25 HA LYS 25 14.394 11.959 3.025 169 HB2 LYS 25 2HB LYS 25 13.125 14.435 1.854 170 HB3 LYS 25 1HB LYS 25 12.576 13.557 3.292 171 HG2 LYS 25 2HG LYS 25 14.859 13.973 4.335 172 HG3 LYS 25 1HG LYS 25 15.238 15.021 2.971 173 HD2 LYS 25 2HD LYS 25 12.864 15.391 4.826 174 HD3 LYS 25 1HD LYS 25 14.377 16.291 4.931 175 HE2 LYS 25 2HE LYS 25 13.206 17.765 3.612 176 HE3 LYS 25 1HE LYS 25 13.826 16.723 2.332 177 HZ1 LYS 25 3HZ LYS 25 11.364 17.196 2.303 178 HZ2 LYS 25 1HZ LYS 25 11.240 16.213 3.680 179 HZ3 LYS 25 2HZ LYS 25 11.809 15.558 2.219 180 H TYR 26 H TYR 26 13.662 12.650 -0.327 181 HA TYR 26 HA TYR 26 11.358 10.815 -0.176 182 HB2 TYR 26 2HB TYR 26 12.113 12.860 -2.262 183 HB3 TYR 26 1HB TYR 26 10.715 11.788 -2.363 184 HD1 TYR 26 2HD TYR 26 8.925 11.905 -0.623 185 HD2 TYR 26 1HD TYR 26 12.093 14.797 -0.845 186 HE1 TYR 26 2HE TYR 26 7.613 13.448 0.803 187 HE2 TYR 26 1HE TYR 26 10.780 16.342 0.585 188 HH TYR 26 HH TYR 26 7.480 15.517 1.624 189 H LYS 27 H LYS 27 14.365 10.054 -0.482 190 HA LYS 27 HA LYS 27 13.793 8.192 -2.709 191 HB2 LYS 27 2HB LYS 27 15.232 10.212 -3.507 192 HB3 LYS 27 1HB LYS 27 16.510 9.456 -2.568 193 HG2 LYS 27 2HG LYS 27 16.780 8.594 -4.755 194 HG3 LYS 27 1HG LYS 27 15.976 7.312 -3.848 195 HD2 LYS 27 2HD LYS 27 13.872 7.746 -4.855 196 HD3 LYS 27 1HD LYS 27 14.339 9.332 -5.416 197 HE2 LYS 27 2HE LYS 27 16.105 8.012 -6.824 198 HE3 LYS 27 1HE LYS 27 15.036 6.638 -6.523 199 HZ1 LYS 27 3HZ LYS 27 13.196 7.988 -7.393 200 HZ2 LYS 27 1HZ LYS 27 14.404 7.712 -8.551 201 HZ3 LYS 27 2HZ LYS 27 14.297 9.222 -7.780 202 H LEU 28 H LEU 28 14.508 6.149 -2.313 203 HA LEU 28 HA LEU 28 15.906 5.792 0.261 204 HB2 LEU 28 2HB LEU 28 13.495 4.939 -0.305 205 HB3 LEU 28 1HB LEU 28 14.327 3.701 -1.194 206 HG LEU 28 HG LEU 28 15.496 2.943 0.825 207 HD11 LEU 28 1HD1 LEU 28 15.754 4.682 2.362 208 HD12 LEU 28 2HD1 LEU 28 14.339 3.895 3.034 209 HD13 LEU 28 3HD1 LEU 28 14.146 5.342 2.056 210 HD21 LEU 28 3HD2 LEU 28 13.182 2.083 0.193 211 HD22 LEU 28 1HD2 LEU 28 12.511 3.237 1.342 212 HD23 LEU 28 2HD2 LEU 28 13.547 1.943 1.918 213 H SER 29 H SER 29 17.883 4.863 0.264 214 HA SER 29 HA SER 29 18.984 3.878 -2.275 215 HB2 SER 29 2HB SER 29 20.182 5.704 -1.096 216 HB3 SER 29 1HB SER 29 20.415 4.629 0.275 217 HG SER 29 HG SER 29 22.111 3.977 -0.771 218 H LYS 30 H LYS 30 20.499 2.001 -2.165 219 HA LYS 30 HA LYS 30 19.303 -0.316 -1.259 220 HB2 LYS 30 2HB LYS 30 21.233 -0.214 -2.819 221 HB3 LYS 30 1HB LYS 30 22.270 0.175 -1.448 222 HG2 LYS 30 2HG LYS 30 21.540 -1.987 -0.363 223 HG3 LYS 30 1HG LYS 30 20.670 -2.369 -1.848 224 HD2 LYS 30 2HD LYS 30 22.847 -3.427 -1.938 225 HD3 LYS 30 1HD LYS 30 22.825 -2.106 -3.108 226 HE2 LYS 30 2HE LYS 30 24.351 -0.871 -1.925 227 HE3 LYS 30 1HE LYS 30 23.714 -1.377 -0.354 228 HZ1 LYS 30 3HZ LYS 30 25.611 -2.782 -2.131 229 HZ2 LYS 30 1HZ LYS 30 24.694 -3.647 -0.996 230 HZ3 LYS 30 2HZ LYS 30 25.754 -2.426 -0.476 231 H LYS 31 H LYS 31 21.892 1.525 0.299 232 HA LYS 31 HA LYS 31 22.242 -0.171 2.487 233 HB2 LYS 31 2HB LYS 31 23.393 1.694 3.508 234 HB3 LYS 31 1HB LYS 31 23.743 1.715 1.777 235 HG2 LYS 31 2HG LYS 31 21.845 3.359 1.492 236 HG3 LYS 31 1HG LYS 31 21.730 3.425 3.252 237 HD2 LYS 31 2HD LYS 31 24.104 4.018 3.330 238 HD3 LYS 31 1HD LYS 31 24.100 4.212 1.584 239 HE2 LYS 31 2HE LYS 31 22.204 5.663 3.452 240 HE3 LYS 31 1HE LYS 31 23.722 6.357 2.886 241 HZ1 LYS 31 3HZ LYS 31 22.887 6.730 0.862 242 HZ2 LYS 31 1HZ LYS 31 21.370 6.565 1.602 243 HZ3 LYS 31 2HZ LYS 31 22.072 5.241 0.800 244 H GLU 32 H GLU 32 20.276 2.766 2.124 245 HA GLU 32 HA GLU 32 19.198 2.771 4.722 246 HB2 GLU 32 2HB GLU 32 17.928 3.786 2.170 247 HB3 GLU 32 1HB GLU 32 17.435 4.218 3.804 248 HG2 GLU 32 2HG GLU 32 19.727 5.116 4.209 249 HG3 GLU 32 1HG GLU 32 20.112 4.794 2.525 250 H LEU 33 H LEU 33 17.670 1.491 1.686 251 HA LEU 33 HA LEU 33 15.366 0.610 3.035 252 HB2 LEU 33 2HB LEU 33 14.957 -0.926 1.124 253 HB3 LEU 33 1HB LEU 33 15.197 0.742 0.690 254 HG LEU 33 HG LEU 33 17.759 -0.135 0.477 255 HD11 LEU 33 1HD1 LEU 33 16.067 -2.416 -0.609 256 HD12 LEU 33 2HD1 LEU 33 16.915 -2.510 0.939 257 HD13 LEU 33 3HD1 LEU 33 17.823 -2.312 -0.553 258 HD21 LEU 33 3HD2 LEU 33 16.972 -0.499 -2.060 259 HD22 LEU 33 1HD2 LEU 33 16.933 1.108 -1.326 260 HD23 LEU 33 2HD2 LEU 33 15.459 0.151 -1.447 261 H LYS 34 H LYS 34 18.482 -0.964 2.531 262 HA LYS 34 HA LYS 34 17.665 -3.502 3.394 263 HB2 LYS 34 2HB LYS 34 19.955 -2.979 2.532 264 HB3 LYS 34 1HB LYS 34 20.289 -2.121 4.034 265 HG2 LYS 34 2HG LYS 34 21.201 -4.284 4.378 266 HG3 LYS 34 1HG LYS 34 19.657 -4.323 5.226 267 HD2 LYS 34 2HD LYS 34 18.605 -5.485 3.362 268 HD3 LYS 34 1HD LYS 34 20.059 -5.307 2.392 269 HE2 LYS 34 2HE LYS 34 20.605 -7.375 3.168 270 HE3 LYS 34 1HE LYS 34 21.008 -6.557 4.679 271 HZ1 LYS 34 3HZ LYS 34 18.637 -8.113 3.974 272 HZ2 LYS 34 1HZ LYS 34 18.423 -6.796 5.021 273 HZ3 LYS 34 2HZ LYS 34 19.497 -8.045 5.437 274 H GLU 35 H GLU 35 18.395 -0.503 5.143 275 HA GLU 35 HA GLU 35 18.231 -1.752 7.732 276 HB2 GLU 35 2HB GLU 35 18.185 1.146 6.885 277 HB3 GLU 35 1HB GLU 35 18.249 0.588 8.557 278 HG2 GLU 35 2HG GLU 35 20.330 -0.655 8.055 279 HG3 GLU 35 1HG GLU 35 20.288 -0.029 6.409 280 H LEU 36 H LEU 36 15.939 0.128 5.720 281 HA LEU 36 HA LEU 36 13.966 0.417 7.734 282 HB2 LEU 36 2HB LEU 36 14.152 1.613 5.451 283 HB3 LEU 36 1HB LEU 36 13.346 0.198 4.788 284 HG LEU 36 HG LEU 36 12.223 1.975 7.004 285 HD11 LEU 36 1HD1 LEU 36 11.122 3.182 5.442 286 HD12 LEU 36 2HD1 LEU 36 10.834 1.790 4.404 287 HD13 LEU 36 3HD1 LEU 36 12.385 2.617 4.349 288 HD21 LEU 36 3HD2 LEU 36 11.168 -0.043 7.390 289 HD22 LEU 36 1HD2 LEU 36 11.287 -0.563 5.717 290 HD23 LEU 36 2HD2 LEU 36 10.095 0.642 6.182 291 H LEU 37 H LEU 37 14.331 -2.091 5.154 292 HA LEU 37 HA LEU 37 11.946 -3.454 5.877 293 HB2 LEU 37 2HB LEU 37 14.417 -4.388 4.421 294 HB3 LEU 37 1HB LEU 37 13.075 -5.470 4.765 295 HG LEU 37 HG LEU 37 13.119 -4.271 2.466 296 HD11 LEU 37 1HD1 LEU 37 10.596 -3.919 4.102 297 HD12 LEU 37 2HD1 LEU 37 11.157 -5.488 3.525 298 HD13 LEU 37 3HD1 LEU 37 10.720 -4.228 2.371 299 HD21 LEU 37 3HD2 LEU 37 11.915 -2.036 4.088 300 HD22 LEU 37 1HD2 LEU 37 12.285 -2.042 2.368 301 HD23 LEU 37 2HD2 LEU 37 13.587 -2.023 3.549 302 H GLN 38 H GLN 38 15.330 -3.930 6.897 303 HA GLN 38 HA GLN 38 14.814 -6.203 8.498 304 HB2 GLN 38 2HB GLN 38 17.005 -4.130 8.671 305 HB3 GLN 38 1HB GLN 38 16.969 -5.614 9.622 306 HG2 GLN 38 2HG GLN 38 16.950 -6.957 7.570 307 HG3 GLN 38 1HG GLN 38 16.922 -5.495 6.587 308 HE21 GLN 38 1HE2 GLN 38 19.052 -7.466 6.457 309 HE22 GLN 38 2HE2 GLN 38 20.474 -6.712 6.992 310 H THR 39 H THR 39 14.751 -2.740 9.234 311 HA THR 39 HA THR 39 14.351 -3.120 12.040 312 HB THR 39 HB THR 39 13.845 -0.728 12.088 313 HG1 THR 39 1HG THR 39 12.676 -0.433 10.264 314 HG21 THR 39 3HG2 THR 39 16.216 -1.843 10.696 315 HG22 THR 39 1HG2 THR 39 16.125 -0.801 12.115 316 HG23 THR 39 2HG2 THR 39 15.965 -0.110 10.503 317 H GLU 40 H GLU 40 12.195 -2.806 9.274 318 HA GLU 40 HA GLU 40 9.887 -2.796 11.089 319 HB2 GLU 40 2HB GLU 40 10.166 -2.189 8.156 320 HB3 GLU 40 1HB GLU 40 8.619 -2.336 8.966 321 HG2 GLU 40 2HG GLU 40 10.807 -0.424 9.803 322 HG3 GLU 40 1HG GLU 40 9.396 0.024 8.848 323 H LEU 41 H LEU 41 10.742 -4.495 8.021 324 HA LEU 41 HA LEU 41 8.927 -6.655 8.865 325 HB2 LEU 41 2HB LEU 41 10.300 -6.281 6.198 326 HB3 LEU 41 1HB LEU 41 9.063 -7.467 6.577 327 HG LEU 41 HG LEU 41 8.716 -4.453 6.532 328 HD11 LEU 41 1HD1 LEU 41 7.522 -4.779 4.540 329 HD12 LEU 41 2HD1 LEU 41 7.225 -6.484 4.886 330 HD13 LEU 41 3HD1 LEU 41 8.828 -5.954 4.383 331 HD21 LEU 41 3HD2 LEU 41 6.218 -5.249 6.747 332 HD22 LEU 41 1HD2 LEU 41 7.191 -5.110 8.207 333 HD23 LEU 41 2HD2 LEU 41 6.919 -6.693 7.469 334 H SER 42 H SER 42 9.539 -8.729 9.202 335 HA SER 42 HA SER 42 12.468 -9.192 9.275 336 HB2 SER 42 2HB SER 42 10.257 -9.891 11.106 337 HB3 SER 42 1HB SER 42 11.458 -11.156 10.856 338 HG SER 42 HG SER 42 11.782 -9.382 12.535 339 H GLY 43 H GLY 43 9.476 -11.107 8.985 340 HA2 GLY 43 2HA GLY 43 10.623 -13.373 7.862 341 HA3 GLY 43 1HA GLY 43 8.937 -12.926 7.713 342 H PHE 44 H PHE 44 9.302 -10.530 6.106 343 HA PHE 44 HA PHE 44 9.343 -11.756 3.575 344 HB2 PHE 44 2HB PHE 44 9.533 -8.861 4.384 345 HB3 PHE 44 1HB PHE 44 9.416 -9.388 2.703 346 HD1 PHE 44 1HD PHE 44 7.405 -10.534 1.874 347 HD2 PHE 44 2HD PHE 44 7.645 -9.093 5.912 348 HE1 PHE 44 1HE PHE 44 4.951 -10.798 2.116 349 HE2 PHE 44 2HE PHE 44 5.192 -9.352 6.152 350 HZ PHE 44 HZ PHE 44 3.845 -10.205 4.255 351 H LEU 45 H LEU 45 11.829 -9.571 4.977 352 HA LEU 45 HA LEU 45 13.624 -10.113 2.792 353 HB2 LEU 45 2HB LEU 45 13.665 -8.395 5.193 354 HB3 LEU 45 1HB LEU 45 15.243 -9.024 4.722 355 HG LEU 45 HG LEU 45 14.602 -6.813 3.643 356 HD11 LEU 45 1HD1 LEU 45 16.221 -7.542 2.258 357 HD12 LEU 45 2HD1 LEU 45 14.983 -8.264 1.236 358 HD13 LEU 45 3HD1 LEU 45 15.754 -9.227 2.503 359 HD21 LEU 45 3HD2 LEU 45 12.165 -8.031 3.179 360 HD22 LEU 45 1HD2 LEU 45 12.953 -8.198 1.605 361 HD23 LEU 45 2HD2 LEU 45 12.752 -6.605 2.328 362 H ASP 46 H ASP 46 13.285 -11.312 6.058 363 HA ASP 46 HA ASP 46 15.697 -12.704 6.191 364 HB2 ASP 46 2HB ASP 46 14.189 -12.325 8.130 365 HB3 ASP 46 1HB ASP 46 13.072 -13.517 7.465 366 H ALA 47 H ALA 47 12.698 -13.482 4.595 367 HA ALA 47 HA ALA 47 12.935 -16.230 4.304 368 HB1 ALA 47 1HB ALA 47 11.581 -15.905 2.211 369 HB2 ALA 47 2HB ALA 47 11.770 -14.167 2.432 370 HB3 ALA 47 3HB ALA 47 10.914 -15.122 3.643 371 H GLN 48 H GLN 48 14.636 -13.670 2.514 372 HA GLN 48 HA GLN 48 15.771 -15.734 0.735 373 HB2 GLN 48 2HB GLN 48 16.291 -12.756 0.689 374 HB3 GLN 48 1HB GLN 48 16.622 -13.934 -0.581 375 HG2 GLN 48 2HG GLN 48 13.890 -13.101 0.433 376 HG3 GLN 48 1HG GLN 48 14.589 -12.724 -1.141 377 HE21 GLN 48 1HE2 GLN 48 12.311 -14.674 0.112 378 HE22 GLN 48 2HE2 GLN 48 12.482 -16.037 -0.888 379 H LYS 49 H LYS 49 17.528 -16.742 1.429 380 HA LYS 49 HA LYS 49 19.056 -15.967 3.652 381 HB2 LYS 49 2HB LYS 49 19.658 -17.936 1.450 382 HB3 LYS 49 1HB LYS 49 20.601 -17.782 2.933 383 HG2 LYS 49 2HG LYS 49 18.524 -18.205 4.252 384 HG3 LYS 49 1HG LYS 49 17.657 -18.479 2.740 385 HD2 LYS 49 2HD LYS 49 19.281 -20.296 2.186 386 HD3 LYS 49 1HD LYS 49 20.022 -20.071 3.772 387 HE2 LYS 49 2HE LYS 49 17.154 -20.888 3.222 388 HE3 LYS 49 1HE LYS 49 18.424 -21.904 3.904 389 HZ1 LYS 49 3HZ LYS 49 17.049 -19.598 5.126 390 HZ2 LYS 49 1HZ LYS 49 18.578 -20.083 5.677 391 HZ3 LYS 49 2HZ LYS 49 17.267 -21.162 5.750 392 H ASP 50 H ASP 50 19.686 -15.465 0.201 393 HA ASP 50 HA ASP 50 22.385 -14.660 0.574 394 HB2 ASP 50 2HB ASP 50 20.489 -14.150 -1.716 395 HB3 ASP 50 1HB ASP 50 22.212 -13.759 -1.723 396 H VAL 51 H VAL 51 23.352 -12.698 0.686 397 HA VAL 51 HA VAL 51 21.827 -10.501 1.756 398 HB VAL 51 HB VAL 51 23.910 -9.340 1.938 399 HG11 VAL 51 1HG1 VAL 51 23.498 -11.661 3.192 400 HG12 VAL 51 2HG1 VAL 51 25.001 -10.759 3.387 401 HG13 VAL 51 3HG1 VAL 51 24.934 -12.127 2.277 402 HG21 VAL 51 3HG2 VAL 51 24.777 -9.656 -0.320 403 HG22 VAL 51 1HG2 VAL 51 25.002 -11.381 -0.031 404 HG23 VAL 51 2HG2 VAL 51 25.987 -10.207 0.836 405 H ASP 52 H ASP 52 23.051 -11.578 -1.270 406 HA ASP 52 HA ASP 52 22.906 -9.255 -2.846 407 HB2 ASP 52 2HB ASP 52 23.926 -11.468 -3.513 408 HB3 ASP 52 1HB ASP 52 22.289 -12.086 -3.729 409 H ALA 53 H ALA 53 20.551 -11.346 -1.487 410 HA ALA 53 HA ALA 53 18.363 -11.088 -3.138 411 HB1 ALA 53 1HB ALA 53 18.238 -10.958 -0.131 412 HB2 ALA 53 2HB ALA 53 18.533 -12.450 -1.027 413 HB3 ALA 53 3HB ALA 53 17.015 -11.573 -1.241 414 H VAL 54 H VAL 54 19.617 -8.746 -0.758 415 HA VAL 54 HA VAL 54 17.413 -6.984 -0.851 416 HB VAL 54 HB VAL 54 19.349 -6.820 0.765 417 HG11 VAL 54 1HG1 VAL 54 21.006 -7.018 -1.262 418 HG12 VAL 54 2HG1 VAL 54 21.425 -5.963 0.085 419 HG13 VAL 54 3HG1 VAL 54 20.764 -5.278 -1.400 420 HG21 VAL 54 3HG2 VAL 54 18.307 -4.511 -0.856 421 HG22 VAL 54 1HG2 VAL 54 19.503 -4.217 0.403 422 HG23 VAL 54 2HG2 VAL 54 17.951 -4.944 0.817 423 H ASP 55 H ASP 55 20.350 -7.205 -2.834 424 HA ASP 55 HA ASP 55 19.833 -4.938 -4.429 425 HB2 ASP 55 2HB ASP 55 21.375 -7.466 -4.958 426 HB3 ASP 55 1HB ASP 55 21.376 -6.086 -6.055 427 H LYS 56 H LYS 56 19.021 -8.379 -4.824 428 HA LYS 56 HA LYS 56 17.823 -8.101 -7.364 429 HB2 LYS 56 2HB LYS 56 17.272 -10.104 -5.169 430 HB3 LYS 56 1HB LYS 56 16.639 -10.228 -6.812 431 HG2 LYS 56 2HG LYS 56 19.049 -10.053 -7.623 432 HG3 LYS 56 1HG LYS 56 19.541 -10.266 -5.945 433 HD2 LYS 56 2HD LYS 56 17.763 -12.213 -7.441 434 HD3 LYS 56 1HD LYS 56 19.507 -12.401 -7.281 435 HE2 LYS 56 2HE LYS 56 19.228 -12.355 -4.792 436 HE3 LYS 56 1HE LYS 56 17.479 -12.340 -5.027 437 HZ1 LYS 56 3HZ LYS 56 19.104 -14.548 -4.926 438 HZ2 LYS 56 1HZ LYS 56 18.721 -14.379 -6.569 439 HZ3 LYS 56 2HZ LYS 56 17.478 -14.506 -5.418 440 H VAL 57 H VAL 57 16.545 -7.678 -4.095 441 HA VAL 57 HA VAL 57 13.828 -7.397 -4.851 442 HB VAL 57 HB VAL 57 15.364 -6.296 -2.485 443 HG11 VAL 57 1HG1 VAL 57 13.469 -4.883 -2.693 444 HG12 VAL 57 2HG1 VAL 57 12.978 -6.116 -1.531 445 HG13 VAL 57 3HG1 VAL 57 12.432 -6.214 -3.204 446 HG21 VAL 57 3HG2 VAL 57 14.968 -8.854 -2.887 447 HG22 VAL 57 1HG2 VAL 57 13.298 -8.489 -2.457 448 HG23 VAL 57 2HG2 VAL 57 14.594 -8.175 -1.301 449 H MET 58 H MET 58 16.435 -5.018 -4.356 450 HA MET 58 HA MET 58 14.767 -2.803 -4.989 451 HB2 MET 58 2HB MET 58 16.500 -1.475 -4.402 452 HB3 MET 58 1HB MET 58 17.053 -2.958 -3.651 453 HG2 MET 58 2HG MET 58 18.972 -2.483 -4.788 454 HG3 MET 58 1HG MET 58 18.142 -3.238 -6.139 455 HE1 MET 58 3HE MET 58 18.710 -0.309 -4.063 456 HE2 MET 58 1HE MET 58 18.522 1.146 -5.050 457 HE3 MET 58 2HE MET 58 19.991 0.181 -5.169 458 H LYS 59 H LYS 59 16.892 -4.786 -7.055 459 HA LYS 59 HA LYS 59 17.030 -2.984 -9.214 460 HB2 LYS 59 2HB LYS 59 16.997 -5.985 -9.279 461 HB3 LYS 59 1HB LYS 59 17.381 -4.942 -10.648 462 HG2 LYS 59 2HG LYS 59 18.992 -3.919 -8.596 463 HG3 LYS 59 1HG LYS 59 19.039 -5.660 -8.330 464 HD2 LYS 59 2HD LYS 59 19.526 -4.314 -10.963 465 HD3 LYS 59 1HD LYS 59 20.810 -4.877 -9.886 466 HE2 LYS 59 2HE LYS 59 19.512 -7.167 -10.003 467 HE3 LYS 59 1HE LYS 59 18.840 -6.493 -11.487 468 HZ1 LYS 59 3HZ LYS 59 20.778 -6.697 -12.552 469 HZ2 LYS 59 1HZ LYS 59 21.187 -7.792 -11.321 470 HZ3 LYS 59 2HZ LYS 59 21.694 -6.173 -11.220 471 H GLU 60 H GLU 60 14.523 -5.392 -8.415 472 HA GLU 60 HA GLU 60 13.010 -5.039 -10.788 473 HB2 GLU 60 2HB GLU 60 12.703 -6.925 -9.196 474 HB3 GLU 60 1HB GLU 60 12.019 -5.797 -8.029 475 HG2 GLU 60 2HG GLU 60 10.268 -5.190 -9.690 476 HG3 GLU 60 1HG GLU 60 10.920 -6.402 -10.786 477 H LEU 61 H LEU 61 12.977 -3.485 -7.649 478 HA LEU 61 HA LEU 61 10.714 -1.856 -8.124 479 HB2 LEU 61 2HB LEU 61 12.968 -1.482 -6.153 480 HB3 LEU 61 1HB LEU 61 11.435 -0.628 -6.117 481 HG LEU 61 HG LEU 61 11.806 -3.617 -5.803 482 HD11 LEU 61 1HD1 LEU 61 12.370 -1.837 -3.925 483 HD12 LEU 61 2HD1 LEU 61 11.486 -3.305 -3.526 484 HD13 LEU 61 3HD1 LEU 61 10.616 -1.788 -3.751 485 HD21 LEU 61 3HD2 LEU 61 9.366 -1.882 -6.116 486 HD22 LEU 61 1HD2 LEU 61 9.292 -3.280 -5.060 487 HD23 LEU 61 2HD2 LEU 61 9.670 -3.507 -6.754 488 H ASP 62 H ASP 62 14.132 -1.376 -8.762 489 HA ASP 62 HA ASP 62 13.819 1.431 -9.165 490 HB2 ASP 62 2HB ASP 62 15.999 0.318 -8.660 491 HB3 ASP 62 1HB ASP 62 15.981 -0.350 -10.293 492 H GLU 63 H GLU 63 12.018 1.594 -10.501 493 HA GLU 63 HA GLU 63 11.745 0.483 -13.092 494 HB2 GLU 63 2HB GLU 63 9.883 1.498 -11.915 495 HB3 GLU 63 1HB GLU 63 10.746 3.038 -11.817 496 HG2 GLU 63 2HG GLU 63 10.750 3.223 -14.243 497 HG3 GLU 63 1HG GLU 63 9.865 1.684 -14.386 498 H ASN 64 H ASN 64 12.898 3.504 -11.888 499 HA ASN 64 HA ASN 64 13.529 4.845 -14.231 500 HB2 ASN 64 2HB ASN 64 14.691 4.842 -11.497 501 HB3 ASN 64 1HB ASN 64 14.978 6.135 -12.658 502 HD21 ASN 64 1HD2 ASN 64 12.428 6.580 -13.681 503 HD22 ASN 64 2HD2 ASN 64 11.353 6.986 -12.433 504 H GLY 65 H GLY 65 15.369 2.539 -12.298 505 HA2 GLY 65 2HA GLY 65 17.208 1.244 -12.916 506 HA3 GLY 65 1HA GLY 65 17.240 2.082 -14.473 507 H ASP 66 H ASP 66 16.914 4.041 -11.714 508 HA ASP 66 HA ASP 66 19.491 5.270 -12.199 509 HB2 ASP 66 2HB ASP 66 18.667 6.994 -10.644 510 HB3 ASP 66 1HB ASP 66 17.495 6.656 -11.915 511 H GLY 67 H GLY 67 18.653 2.683 -10.388 512 HA2 GLY 67 2HA GLY 67 19.983 1.509 -8.881 513 HA3 GLY 67 1HA GLY 67 21.025 2.923 -8.746 514 H GLU 68 H GLU 68 17.942 4.003 -8.380 515 HA GLU 68 HA GLU 68 18.020 3.714 -5.434 516 HB2 GLU 68 2HB GLU 68 17.124 6.066 -7.077 517 HB3 GLU 68 1HB GLU 68 16.835 5.907 -5.354 518 HG2 GLU 68 2HG GLU 68 18.754 7.204 -5.416 519 HG3 GLU 68 1HG GLU 68 19.413 5.577 -5.210 520 H VAL 69 H VAL 69 16.063 3.762 -4.324 521 HA VAL 69 HA VAL 69 13.750 2.827 -5.900 522 HB VAL 69 HB VAL 69 14.367 2.405 -2.967 523 HG11 VAL 69 1HG1 VAL 69 12.495 0.807 -3.065 524 HG12 VAL 69 2HG1 VAL 69 12.215 1.245 -4.749 525 HG13 VAL 69 3HG1 VAL 69 11.962 2.437 -3.470 526 HG21 VAL 69 3HG2 VAL 69 14.779 0.063 -3.616 527 HG22 VAL 69 1HG2 VAL 69 15.908 1.160 -4.408 528 HG23 VAL 69 2HG2 VAL 69 14.542 0.499 -5.309 529 H ASP 70 H ASP 70 11.953 4.105 -5.866 530 HA ASP 70 HA ASP 70 12.101 6.541 -4.222 531 HB2 ASP 70 2HB ASP 70 11.907 6.759 -6.703 532 HB3 ASP 70 1HB ASP 70 10.323 6.027 -6.592 533 H PHE 71 H PHE 71 10.151 7.419 -3.321 534 HA PHE 71 HA PHE 71 8.903 5.790 -1.479 535 HB2 PHE 71 2HB PHE 71 8.973 8.355 -1.714 536 HB3 PHE 71 1HB PHE 71 7.603 8.184 -2.794 537 HD1 PHE 71 1HD PHE 71 6.793 5.627 -0.682 538 HD2 PHE 71 2HD PHE 71 7.341 9.880 -0.528 539 HE1 PHE 71 1HE PHE 71 5.253 5.752 1.248 540 HE2 PHE 71 2HE PHE 71 5.811 9.990 1.407 541 HZ PHE 71 HZ PHE 71 4.774 7.933 2.287 542 H GLN 72 H GLN 72 7.747 6.711 -4.747 543 HA GLN 72 HA GLN 72 5.264 5.343 -4.570 544 HB2 GLN 72 2HB GLN 72 6.993 5.987 -6.978 545 HB3 GLN 72 1HB GLN 72 5.336 5.391 -7.069 546 HG2 GLN 72 2HG GLN 72 4.551 7.339 -5.805 547 HG3 GLN 72 1HG GLN 72 6.190 7.937 -5.651 548 HE21 GLN 72 1HE2 GLN 72 4.243 9.542 -6.863 549 HE22 GLN 72 2HE2 GLN 72 4.571 9.663 -8.519 550 H GLU 73 H GLU 73 8.505 4.291 -5.627 551 HA GLU 73 HA GLU 73 7.753 1.722 -6.546 552 HB2 GLU 73 2HB GLU 73 10.371 2.694 -5.389 553 HB3 GLU 73 1HB GLU 73 10.155 1.177 -6.246 554 HG2 GLU 73 2HG GLU 73 9.403 2.470 -8.256 555 HG3 GLU 73 1HG GLU 73 9.763 3.962 -7.386 556 H TYR 74 H TYR 74 8.835 2.962 -3.439 557 HA TYR 74 HA TYR 74 8.963 0.547 -1.968 558 HB2 TYR 74 2HB TYR 74 9.963 2.729 -1.297 559 HB3 TYR 74 1HB TYR 74 8.344 3.353 -1.003 560 HD1 TYR 74 1HD TYR 74 10.960 1.054 0.145 561 HD2 TYR 74 2HD TYR 74 7.008 2.558 0.889 562 HE1 TYR 74 1HE TYR 74 11.017 0.084 2.422 563 HE2 TYR 74 2HE TYR 74 7.064 1.576 3.166 564 HH TYR 74 HH TYR 74 9.369 -0.694 4.118 565 H VAL 75 H VAL 75 6.485 2.909 -2.547 566 HA VAL 75 HA VAL 75 4.521 1.932 -0.792 567 HB VAL 75 HB VAL 75 4.710 4.101 -2.644 568 HG11 VAL 75 1HG1 VAL 75 2.321 2.370 -3.246 569 HG12 VAL 75 2HG1 VAL 75 3.539 2.929 -4.374 570 HG13 VAL 75 3HG1 VAL 75 2.422 4.074 -3.639 571 HG21 VAL 75 3HG2 VAL 75 2.598 3.261 -0.656 572 HG22 VAL 75 1HG2 VAL 75 2.537 4.789 -1.534 573 HG23 VAL 75 2HG2 VAL 75 3.886 4.454 -0.447 574 H VAL 76 H VAL 76 5.041 1.256 -4.284 575 HA VAL 76 HA VAL 76 2.858 -0.600 -4.294 576 HB VAL 76 HB VAL 76 3.636 -1.365 -6.442 577 HG11 VAL 76 1HG1 VAL 76 4.278 1.578 -6.416 578 HG12 VAL 76 2HG1 VAL 76 2.647 1.016 -6.049 579 HG13 VAL 76 3HG1 VAL 76 3.374 0.653 -7.614 580 HG21 VAL 76 3HG2 VAL 76 5.765 -0.737 -7.382 581 HG22 VAL 76 1HG2 VAL 76 6.083 -1.438 -5.797 582 HG23 VAL 76 2HG2 VAL 76 6.109 0.305 -6.011 583 H LEU 77 H LEU 77 6.323 -0.872 -3.511 584 HA LEU 77 HA LEU 77 6.488 -3.676 -3.492 585 HB2 LEU 77 2HB LEU 77 8.477 -2.369 -3.160 586 HB3 LEU 77 1HB LEU 77 7.818 -1.631 -1.711 587 HG LEU 77 HG LEU 77 7.807 -3.872 -0.603 588 HD11 LEU 77 1HD1 LEU 77 7.668 -5.355 -2.514 589 HD12 LEU 77 2HD1 LEU 77 9.169 -5.682 -1.656 590 HD13 LEU 77 3HD1 LEU 77 9.193 -4.752 -3.145 591 HD21 LEU 77 3HD2 LEU 77 10.413 -4.072 -0.662 592 HD22 LEU 77 1HD2 LEU 77 9.657 -2.614 -0.015 593 HD23 LEU 77 2HD2 LEU 77 10.312 -2.617 -1.654 594 H VAL 78 H VAL 78 5.615 -1.538 -0.724 595 HA VAL 78 HA VAL 78 5.053 -3.812 0.918 596 HB VAL 78 HB VAL 78 4.023 -2.285 2.526 597 HG11 VAL 78 1HG1 VAL 78 6.262 -2.341 2.943 598 HG12 VAL 78 2HG1 VAL 78 6.122 -0.633 2.531 599 HG13 VAL 78 3HG1 VAL 78 6.703 -1.785 1.325 600 HG21 VAL 78 3HG2 VAL 78 2.981 -0.739 0.815 601 HG22 VAL 78 1HG2 VAL 78 4.580 -0.041 0.559 602 HG23 VAL 78 2HG2 VAL 78 3.809 0.076 2.134 603 H ALA 79 H ALA 79 3.014 -1.802 -1.179 604 HA ALA 79 HA ALA 79 0.560 -2.897 -0.167 605 HB1 ALA 79 1HB ALA 79 0.703 -1.980 -2.993 606 HB2 ALA 79 2HB ALA 79 1.080 -0.811 -1.733 607 HB3 ALA 79 3HB ALA 79 -0.480 -1.616 -1.734 608 H ALA 80 H ALA 80 2.523 -3.702 -3.022 609 HA ALA 80 HA ALA 80 0.874 -5.801 -3.946 610 HB1 ALA 80 1HB ALA 80 3.808 -5.192 -4.339 611 HB2 ALA 80 2HB ALA 80 2.477 -4.889 -5.458 612 HB3 ALA 80 3HB ALA 80 2.997 -6.545 -5.130 613 H LEU 81 H LEU 81 3.629 -5.667 -1.689 614 HA LEU 81 HA LEU 81 3.684 -8.497 -1.290 615 HB2 LEU 81 2HB LEU 81 4.879 -6.156 0.110 616 HB3 LEU 81 1HB LEU 81 4.738 -7.663 1.010 617 HG LEU 81 HG LEU 81 6.092 -8.851 -0.544 618 HD11 LEU 81 1HD1 LEU 81 5.538 -6.560 -2.406 619 HD12 LEU 81 2HD1 LEU 81 5.441 -8.287 -2.711 620 HD13 LEU 81 3HD1 LEU 81 7.007 -7.503 -2.605 621 HD21 LEU 81 3HD2 LEU 81 7.292 -7.245 0.961 622 HD22 LEU 81 1HD2 LEU 81 7.317 -6.088 -0.368 623 HD23 LEU 81 2HD2 LEU 81 8.176 -7.620 -0.517 624 H THR 82 H THR 82 1.786 -5.868 0.126 625 HA THR 82 HA THR 82 0.759 -7.347 2.314 626 HB THR 82 HB THR 82 -0.646 -5.185 0.730 627 HG1 THR 82 1HG THR 82 0.306 -4.001 2.670 628 HG21 THR 82 3HG2 THR 82 -1.104 -6.538 3.350 629 HG22 THR 82 1HG2 THR 82 -2.271 -5.912 2.185 630 HG23 THR 82 2HG2 THR 82 -1.414 -4.806 3.257 631 H VAL 83 H VAL 83 -0.610 -6.824 -0.962 632 HA VAL 83 HA VAL 83 -2.836 -8.557 -0.484 633 HB VAL 83 HB VAL 83 -2.879 -6.947 -2.355 634 HG11 VAL 83 1HG1 VAL 83 -1.647 -7.273 -4.363 635 HG12 VAL 83 2HG1 VAL 83 -1.077 -8.859 -3.852 636 HG13 VAL 83 3HG1 VAL 83 -0.477 -7.405 -3.077 637 HG21 VAL 83 3HG2 VAL 83 -4.196 -8.307 -3.710 638 HG22 VAL 83 1HG2 VAL 83 -4.129 -9.265 -2.231 639 HG23 VAL 83 2HG2 VAL 83 -3.085 -9.675 -3.596 640 H ALA 84 H ALA 84 0.409 -9.149 -1.761 641 HA ALA 84 HA ALA 84 -0.028 -11.853 -2.507 642 HB1 ALA 84 1HB ALA 84 2.570 -10.645 -1.551 643 HB2 ALA 84 2HB ALA 84 1.924 -10.394 -3.174 644 HB3 ALA 84 3HB ALA 84 2.353 -12.018 -2.637 645 H CYS 85 H CHC 85 0.704 -10.238 0.488 646 HA CYS 85 HA CHC 85 1.481 -12.515 1.991 647 HB2 CYS 85 2HB CHC 85 1.870 -10.082 2.610 648 HB3 CYS 85 1HB CHC 85 0.171 -10.016 3.072 649 H ASN 86 H ASN 86 -1.621 -10.694 1.834 650 HA ASN 86 HA ASN 86 -3.032 -12.489 3.486 651 HB2 ASN 86 2HB ASN 86 -3.858 -10.250 2.595 652 HB3 ASN 86 1HB ASN 86 -4.235 -11.095 1.093 653 HD21 ASN 86 1HD2 ASN 86 -6.328 -11.921 1.014 654 HD22 ASN 86 2HD2 ASN 86 -7.262 -12.336 2.371 655 H ASN 87 H ASN 87 -2.411 -12.519 -0.024 656 HA ASN 87 HA ASN 87 -3.971 -14.794 -0.646 657 HB2 ASN 87 2HB ASN 87 -2.769 -13.205 -2.285 658 HB3 ASN 87 1HB ASN 87 -1.340 -14.193 -1.971 659 HD21 ASN 87 1HD2 ASN 87 -1.682 -14.663 -4.421 660 HD22 ASN 87 2HD2 ASN 87 -2.697 -15.969 -4.801 661 H PHE 88 H PHE 88 -0.678 -14.419 0.574 662 HA PHE 88 HA PHE 88 0.071 -17.136 0.338 663 HB2 PHE 88 2HB PHE 88 1.067 -14.860 2.029 664 HB3 PHE 88 1HB PHE 88 1.698 -16.486 2.244 665 HD1 PHE 88 1HD PHE 88 0.595 -15.466 -1.129 666 HD2 PHE 88 2HD PHE 88 3.935 -15.695 1.573 667 HE1 PHE 88 1HE PHE 88 2.150 -15.139 -3.020 668 HE2 PHE 88 2HE PHE 88 5.486 -15.365 -0.330 669 HZ PHE 88 HZ PHE 88 4.595 -15.088 -2.626 670 H PHE 89 H PHE 89 -1.483 -15.316 2.976 671 HA PHE 89 HA PHE 89 -1.407 -17.446 4.848 672 HB2 PHE 89 2HB PHE 89 -1.814 -15.074 5.452 673 HB3 PHE 89 1HB PHE 89 -3.399 -15.177 4.686 674 HD1 PHE 89 1HD PHE 89 -1.303 -16.448 7.465 675 HD2 PHE 89 2HD PHE 89 -5.231 -16.340 5.731 676 HE1 PHE 89 1HE PHE 89 -2.244 -17.426 9.539 677 HE2 PHE 89 2HE PHE 89 -6.173 -17.319 7.806 678 HZ PHE 89 HZ PHE 89 -4.680 -17.862 9.711 679 H TRP 90 H TRP 90 -4.131 -16.260 2.827 680 HA TRP 90 HA TRP 90 -5.865 -18.407 3.516 681 HB2 TRP 90 2HB TRP 90 -6.699 -16.300 2.575 682 HB3 TRP 90 1HB TRP 90 -5.939 -16.711 1.031 683 HD1 TRP 90 HD TRP 90 -6.729 -18.995 -0.116 684 HE1 TRP 90 1HE TRP 90 -9.028 -20.154 -0.146 685 HE3 TRP 90 3HE TRP 90 -8.874 -16.713 3.896 686 HZ2 TRP 90 2HZ TRP 90 -11.470 -20.112 1.361 687 HZ3 TRP 90 3HZ TRP 90 -11.183 -17.291 4.587 688 HH2 TRP 90 HH TRP 90 -12.481 -18.986 3.327 689 H GLU 91 H GLU 91 -3.642 -17.941 0.867 690 HA GLU 91 HA GLU 91 -4.315 -20.563 -0.247 691 HB2 GLU 91 2HB GLU 91 -3.889 -18.144 -1.421 692 HB3 GLU 91 1HB GLU 91 -2.278 -18.843 -1.570 693 HG2 GLU 91 2HG GLU 91 -4.893 -20.073 -2.519 694 HG3 GLU 91 1HG GLU 91 -3.611 -19.423 -3.541 695 H ASN 92 H ASN 92 -2.861 -22.229 -0.433 696 HA ASN 92 HA ASN 92 -0.931 -22.587 1.541 697 HB2 ASN 92 2HB ASN 92 -1.190 -23.931 -1.157 698 HB3 ASN 92 1HB ASN 92 -0.152 -24.503 0.149 699 HD21 ASN 92 1HD2 ASN 92 -2.330 -26.092 -0.854 700 HD22 ASN 92 2HD2 ASN 92 -3.494 -26.223 0.374 701 H SER 93 H SER 93 -0.607 -21.269 -1.707 702 HA SER 93 HA SER 93 2.213 -21.324 -1.872 703 HB2 SER 93 2HB SER 93 1.975 -19.843 -3.727 704 HB3 SER 93 1HB SER 93 0.547 -20.874 -3.756 705 HG SER 93 HG SER 93 -0.667 -19.233 -3.049 706 H1 GLY 1 H GLY 1 6.920 -7.915 17.798 707 HA2 GLY 1 2HA GLY 1 5.467 -7.203 15.713 708 HA3 GLY 1 1HA GLY 1 5.329 -6.269 17.199 709 H SER 2 H SER 2 5.587 -5.876 14.020 710 HA SER 2 HA SER 2 7.285 -3.453 14.226 711 HB2 SER 2 2HB SER 2 8.253 -5.135 12.737 712 HB3 SER 2 1HB SER 2 6.748 -5.215 11.828 713 HG SER 2 HG SER 2 7.437 -3.559 10.761 714 H GLU 3 H GLU 3 6.447 -1.532 13.541 715 HA GLU 3 HA GLU 3 3.647 -1.229 13.407 716 HB2 GLU 3 2HB GLU 3 5.885 0.641 12.633 717 HB3 GLU 3 1HB GLU 3 4.191 1.113 12.710 718 HG2 GLU 3 2HG GLU 3 4.119 0.415 15.079 719 HG3 GLU 3 1HG GLU 3 5.833 0.008 15.000 720 H LEU 4 H LEU 4 6.107 -1.322 10.807 721 HA LEU 4 HA LEU 4 4.347 -0.511 8.732 722 HB2 LEU 4 2HB LEU 4 6.926 -0.838 8.721 723 HB3 LEU 4 1HB LEU 4 6.547 -2.520 8.349 724 HG LEU 4 HG LEU 4 5.477 -0.159 6.781 725 HD11 LEU 4 1HD1 LEU 4 7.669 -1.959 5.783 726 HD12 LEU 4 2HD1 LEU 4 8.039 -0.521 6.734 727 HD13 LEU 4 3HD1 LEU 4 7.176 -0.371 5.204 728 HD21 LEU 4 3HD2 LEU 4 5.405 -2.221 5.051 729 HD22 LEU 4 1HD2 LEU 4 4.072 -1.789 6.111 730 HD23 LEU 4 2HD2 LEU 4 5.158 -3.105 6.555 731 H GLU 5 H GLU 5 5.219 -3.659 10.082 732 HA GLU 5 HA GLU 5 3.712 -5.274 8.315 733 HB2 GLU 5 2HB GLU 5 5.546 -5.919 10.055 734 HB3 GLU 5 1HB GLU 5 4.206 -5.993 11.198 735 HG2 GLU 5 2HG GLU 5 4.222 -7.479 8.558 736 HG3 GLU 5 1HG GLU 5 4.792 -8.186 10.065 737 H THR 6 H THR 6 3.003 -3.662 11.369 738 HA THR 6 HA THR 6 0.439 -4.744 11.812 739 HB THR 6 HB THR 6 1.413 -1.961 12.514 740 HG1 THR 6 1HG THR 6 1.422 -3.993 14.377 741 HG21 THR 6 3HG2 THR 6 -1.028 -2.347 12.751 742 HG22 THR 6 1HG2 THR 6 -0.241 -2.121 14.313 743 HG23 THR 6 2HG2 THR 6 -0.690 -3.741 13.779 744 H ALA 7 H ALA 7 1.605 -1.991 9.937 745 HA ALA 7 HA ALA 7 -0.927 -0.955 9.206 746 HB1 ALA 7 1HB ALA 7 1.525 -0.853 7.455 747 HB2 ALA 7 2HB ALA 7 1.401 0.109 8.927 748 HB3 ALA 7 3HB ALA 7 0.247 0.349 7.617 749 H MET 8 H MET 8 1.244 -3.318 7.653 750 HA MET 8 HA MET 8 -0.296 -3.759 5.314 751 HB2 MET 8 2HB MET 8 1.515 -5.609 6.906 752 HB3 MET 8 1HB MET 8 0.879 -5.994 5.308 753 HG2 MET 8 2HG MET 8 1.970 -3.982 4.383 754 HG3 MET 8 1HG MET 8 2.608 -3.591 5.966 755 HE1 MET 8 3HE MET 8 2.597 -5.718 2.925 756 HE2 MET 8 1HE MET 8 2.358 -7.121 3.977 757 HE3 MET 8 2HE MET 8 3.875 -6.913 3.106 758 H GLU 9 H GLU 9 -0.403 -5.201 8.541 759 HA GLU 9 HA GLU 9 -2.430 -7.103 7.994 760 HB2 GLU 9 2HB GLU 9 -1.585 -5.782 10.583 761 HB3 GLU 9 1HB GLU 9 -2.741 -7.109 10.483 762 HG2 GLU 9 2HG GLU 9 0.115 -7.210 9.472 763 HG3 GLU 9 1HG GLU 9 -0.449 -7.919 10.983 764 H THR 10 H THR 10 -2.473 -3.710 8.992 765 HA THR 10 HA THR 10 -5.233 -3.604 9.597 766 HB THR 10 HB THR 10 -3.500 -1.378 8.514 767 HG1 THR 10 1HG THR 10 -2.971 -2.663 10.566 768 HG21 THR 10 3HG2 THR 10 -6.061 -1.388 10.135 769 HG22 THR 10 1HG2 THR 10 -5.906 -0.894 8.447 770 HG23 THR 10 2HG2 THR 10 -5.130 0.051 9.723 771 H LEU 11 H LEU 11 -3.417 -3.022 6.565 772 HA LEU 11 HA LEU 11 -5.681 -2.246 5.046 773 HB2 LEU 11 2HB LEU 11 -3.272 -3.774 4.032 774 HB3 LEU 11 1HB LEU 11 -4.366 -2.788 3.074 775 HG LEU 11 HG LEU 11 -2.435 -1.826 5.197 776 HD11 LEU 11 1HD1 LEU 11 -2.584 -1.643 2.201 777 HD12 LEU 11 2HD1 LEU 11 -1.234 -2.159 3.211 778 HD13 LEU 11 3HD1 LEU 11 -1.676 -0.454 3.135 779 HD21 LEU 11 3HD2 LEU 11 -4.686 -0.410 3.778 780 HD22 LEU 11 1HD2 LEU 11 -3.245 0.473 4.274 781 HD23 LEU 11 2HD2 LEU 11 -4.231 -0.337 5.485 782 H ILE 12 H ILE 12 -4.183 -5.387 5.712 783 HA ILE 12 HA ILE 12 -5.941 -6.901 4.078 784 HB ILE 12 HB ILE 12 -4.439 -7.708 6.572 785 HG12 ILE 12 2HG1 ILE 12 -3.820 -8.232 3.654 786 HG13 ILE 12 1HG1 ILE 12 -3.119 -6.896 4.551 787 HG21 ILE 12 1HG2 ILE 12 -6.219 -9.285 6.241 788 HG22 ILE 12 2HG2 ILE 12 -4.754 -10.025 5.592 789 HG23 ILE 12 3HG2 ILE 12 -5.945 -9.319 4.499 790 HD11 ILE 12 3HD1 ILE 12 -1.907 -8.337 5.970 791 HD12 ILE 12 1HD1 ILE 12 -1.790 -9.133 4.400 792 HD13 ILE 12 2HD1 ILE 12 -2.945 -9.715 5.601 793 H ASN 13 H ASN 13 -6.135 -6.040 7.516 794 HA ASN 13 HA ASN 13 -8.457 -7.496 8.104 795 HB2 ASN 13 2HB ASN 13 -7.360 -4.975 9.340 796 HB3 ASN 13 1HB ASN 13 -8.672 -5.928 10.030 797 HD21 ASN 13 1HD2 ASN 13 -6.194 -5.577 11.428 798 HD22 ASN 13 2HD2 ASN 13 -5.408 -7.080 11.500 799 H VAL 14 H VAL 14 -8.129 -4.121 6.940 800 HA VAL 14 HA VAL 14 -10.963 -3.702 7.158 801 HB VAL 14 HB VAL 14 -10.638 -1.557 6.108 802 HG11 VAL 14 1HG1 VAL 14 -9.424 -0.607 7.822 803 HG12 VAL 14 2HG1 VAL 14 -8.142 -1.811 7.734 804 HG13 VAL 14 3HG1 VAL 14 -9.679 -2.216 8.494 805 HG21 VAL 14 3HG2 VAL 14 -8.266 -0.908 5.394 806 HG22 VAL 14 1HG2 VAL 14 -9.150 -1.953 4.284 807 HG23 VAL 14 2HG2 VAL 14 -7.912 -2.624 5.340 808 H PHE 15 H PHE 15 -8.809 -4.574 4.436 809 HA PHE 15 HA PHE 15 -10.817 -4.442 2.439 810 HB2 PHE 15 2HB PHE 15 -8.454 -4.679 1.852 811 HB3 PHE 15 1HB PHE 15 -8.410 -6.275 2.611 812 HD1 PHE 15 1HD PHE 15 -10.207 -4.321 -0.036 813 HD2 PHE 15 2HD PHE 15 -9.015 -8.180 1.418 814 HE1 PHE 15 1HE PHE 15 -11.088 -5.382 -2.093 815 HE2 PHE 15 2HE PHE 15 -9.886 -9.232 -0.647 816 HZ PHE 15 HZ PHE 15 -10.926 -7.830 -2.407 817 H HIS 16 H HIS 16 -9.689 -7.078 4.504 818 HA HIS 16 HA HIS 16 -11.574 -8.981 3.588 819 HB2 HIS 16 2HB HIS 16 -9.508 -9.599 4.835 820 HB3 HIS 16 1HB HIS 16 -10.193 -8.852 6.279 821 HD1 HIS 16 1HD HIS 16 -11.281 -11.476 3.718 822 HD2 HIS 16 2HD HIS 16 -11.599 -10.671 7.796 823 HE1 HIS 16 1HE HIS 16 -12.538 -13.425 4.738 824 HE2 HIS 16 2HE HIS 16 -12.740 -12.948 7.223 825 H ALA 17 H ALA 17 -11.662 -6.491 6.049 826 HA ALA 17 HA ALA 17 -13.940 -7.384 7.388 827 HB1 ALA 17 1HB ALA 17 -12.554 -5.400 8.064 828 HB2 ALA 17 2HB ALA 17 -14.282 -5.063 8.040 829 HB3 ALA 17 3HB ALA 17 -13.258 -4.496 6.715 830 H HIS 18 H HIS 18 -13.684 -5.156 4.577 831 HA HIS 18 HA HIS 18 -16.588 -5.292 4.307 832 HB2 HIS 18 2HB HIS 18 -14.451 -3.843 2.795 833 HB3 HIS 18 1HB HIS 18 -16.109 -3.910 2.191 834 HD1 HIS 18 1HD HIS 18 -17.716 -2.267 3.204 835 HD2 HIS 18 2HD HIS 18 -14.400 -2.875 5.648 836 HE1 HIS 18 1HE HIS 18 -18.013 -0.762 5.219 837 HE2 HIS 18 2HE HIS 18 -16.002 -1.118 6.714 838 H SER 19 H SER 19 -13.920 -6.472 2.142 839 HA SER 19 HA SER 19 -15.676 -7.570 0.257 840 HB2 SER 19 2HB SER 19 -13.222 -7.398 -0.107 841 HB3 SER 19 1HB SER 19 -12.990 -8.725 1.023 842 HG SER 19 HG SER 19 -14.288 -8.729 -1.510 843 H GLY 20 H GLY 20 -14.336 -8.860 3.258 844 HA2 GLY 20 2HA GLY 20 -15.492 -11.461 3.111 845 HA3 GLY 20 1HA GLY 20 -14.824 -10.712 4.529 846 H LYS 21 H LYS 21 -16.471 -8.463 4.744 847 HA LYS 21 HA LYS 21 -18.691 -9.545 6.103 848 HB2 LYS 21 2HB LYS 21 -17.794 -7.330 6.567 849 HB3 LYS 21 1HB LYS 21 -18.361 -6.748 5.004 850 HG2 LYS 21 2HG LYS 21 -20.681 -7.259 5.721 851 HG3 LYS 21 1HG LYS 21 -20.062 -7.806 7.278 852 HD2 LYS 21 2HD LYS 21 -20.759 -5.491 7.506 853 HD3 LYS 21 1HD LYS 21 -19.005 -5.559 7.594 854 HE2 LYS 21 2HE LYS 21 -20.059 -5.237 4.852 855 HE3 LYS 21 1HE LYS 21 -20.416 -3.885 5.929 856 HZ1 LYS 21 3HZ LYS 21 -18.145 -3.584 6.397 857 HZ2 LYS 21 1HZ LYS 21 -18.240 -3.774 4.714 858 HZ3 LYS 21 2HZ LYS 21 -17.710 -5.064 5.685 859 H GLU 22 H GLU 22 -18.517 -8.162 2.801 860 HA GLU 22 HA GLU 22 -21.171 -9.391 2.316 861 HB2 GLU 22 2HB GLU 22 -20.226 -6.709 1.358 862 HB3 GLU 22 1HB GLU 22 -21.680 -7.510 0.765 863 HG2 GLU 22 2HG GLU 22 -22.533 -7.593 3.097 864 HG3 GLU 22 1HG GLU 22 -21.106 -6.719 3.618 865 H GLY 23 H GLY 23 -21.613 -10.121 0.212 866 HA2 GLY 23 2HA GLY 23 -21.132 -11.196 -1.760 867 HA3 GLY 23 1HA GLY 23 -20.024 -9.863 -2.050 868 H ASP 24 H ASP 24 -18.494 -11.143 -3.069 869 HA ASP 24 HA ASP 24 -17.407 -13.514 -1.890 870 HB2 ASP 24 2HB ASP 24 -16.384 -11.719 -4.090 871 HB3 ASP 24 1HB ASP 24 -15.627 -13.239 -3.628 872 H LYS 25 H LYS 25 -15.629 -13.778 -0.660 873 HA LYS 25 HA LYS 25 -14.865 -11.715 1.047 874 HB2 LYS 25 2HB LYS 25 -13.393 -14.294 0.501 875 HB3 LYS 25 1HB LYS 25 -13.178 -13.244 1.912 876 HG2 LYS 25 2HG LYS 25 -15.644 -13.566 2.447 877 HG3 LYS 25 1HG LYS 25 -15.715 -14.772 1.165 878 HD2 LYS 25 2HD LYS 25 -13.833 -14.887 3.544 879 HD3 LYS 25 1HD LYS 25 -15.342 -15.789 3.405 880 HE2 LYS 25 2HE LYS 25 -13.922 -17.392 2.573 881 HE3 LYS 25 1HE LYS 25 -14.217 -16.517 1.071 882 HZ1 LYS 25 3HZ LYS 25 -11.823 -16.957 1.665 883 HZ2 LYS 25 1HZ LYS 25 -12.002 -15.817 2.906 884 HZ3 LYS 25 2HZ LYS 25 -12.212 -15.348 1.287 885 H TYR 26 H TYR 26 -13.394 -12.790 -1.941 886 HA TYR 26 HA TYR 26 -11.161 -10.916 -1.486 887 HB2 TYR 26 2HB TYR 26 -11.446 -13.204 -3.433 888 HB3 TYR 26 1HB TYR 26 -10.049 -12.131 -3.337 889 HD1 TYR 26 2HD TYR 26 -8.705 -12.017 -1.233 890 HD2 TYR 26 1HD TYR 26 -11.776 -14.958 -1.829 891 HE1 TYR 26 2HE TYR 26 -7.777 -13.361 0.627 892 HE2 TYR 26 1HE TYR 26 -10.847 -16.304 0.036 893 HH TYR 26 HH TYR 26 -7.862 -15.313 1.697 894 H LYS 27 H LYS 27 -14.010 -10.239 -2.557 895 HA LYS 27 HA LYS 27 -12.921 -8.645 -4.792 896 HB2 LYS 27 2HB LYS 27 -14.173 -10.765 -5.654 897 HB3 LYS 27 1HB LYS 27 -15.617 -9.913 -5.133 898 HG2 LYS 27 2HG LYS 27 -15.377 -9.314 -7.407 899 HG3 LYS 27 1HG LYS 27 -14.746 -7.932 -6.510 900 HD2 LYS 27 2HD LYS 27 -12.480 -8.528 -6.959 901 HD3 LYS 27 1HD LYS 27 -12.912 -10.163 -7.436 902 HE2 LYS 27 2HE LYS 27 -14.229 -8.995 -9.340 903 HE3 LYS 27 1HE LYS 27 -13.239 -7.586 -8.944 904 HZ1 LYS 27 3HZ LYS 27 -11.266 -8.992 -9.216 905 HZ2 LYS 27 1HZ LYS 27 -12.171 -8.872 -10.646 906 HZ3 LYS 27 2HZ LYS 27 -12.259 -10.282 -9.702 907 H LEU 28 H LEU 28 -13.676 -6.581 -4.823 908 HA LEU 28 HA LEU 28 -15.620 -5.938 -2.700 909 HB2 LEU 28 2HB LEU 28 -13.133 -5.126 -2.795 910 HB3 LEU 28 1HB LEU 28 -13.721 -4.013 -3.991 911 HG LEU 28 HG LEU 28 -15.312 -3.039 -2.396 912 HD11 LEU 28 1HD1 LEU 28 -15.939 -4.590 -0.764 913 HD12 LEU 28 2HD1 LEU 28 -14.706 -3.708 0.120 914 HD13 LEU 28 3HD1 LEU 28 -14.311 -5.256 -0.614 915 HD21 LEU 28 3HD2 LEU 28 -12.905 -2.228 -2.580 916 HD22 LEU 28 1HD2 LEU 28 -12.529 -3.228 -1.178 917 HD23 LEU 28 2HD2 LEU 28 -13.652 -1.890 -1.014 918 H SER 29 H SER 29 -17.533 -5.045 -3.260 919 HA SER 29 HA SER 29 -18.008 -4.384 -6.084 920 HB2 SER 29 2HB SER 29 -19.470 -6.075 -5.001 921 HB3 SER 29 1HB SER 29 -19.997 -4.848 -3.858 922 HG SER 29 HG SER 29 -21.398 -4.348 -5.335 923 H LYS 30 H LYS 30 -19.484 -2.529 -6.546 924 HA LYS 30 HA LYS 30 -18.494 -0.105 -5.672 925 HB2 LYS 30 2HB LYS 30 -20.017 -0.417 -7.610 926 HB3 LYS 30 1HB LYS 30 -21.347 -0.656 -6.476 927 HG2 LYS 30 2HG LYS 30 -20.855 1.628 -5.517 928 HG3 LYS 30 1HG LYS 30 -19.664 1.845 -6.797 929 HD2 LYS 30 2HD LYS 30 -21.747 2.853 -7.508 930 HD3 LYS 30 1HD LYS 30 -21.476 1.402 -8.476 931 HE2 LYS 30 2HE LYS 30 -23.249 0.295 -7.536 932 HE3 LYS 30 1HE LYS 30 -22.983 0.994 -5.933 933 HZ1 LYS 30 3HZ LYS 30 -24.402 2.151 -8.251 934 HZ2 LYS 30 1HZ LYS 30 -23.758 3.158 -7.047 935 HZ3 LYS 30 2HZ LYS 30 -24.926 1.992 -6.642 936 H LYS 31 H LYS 31 -21.398 -1.783 -4.541 937 HA LYS 31 HA LYS 31 -22.215 0.156 -2.708 938 HB2 LYS 31 2HB LYS 31 -23.598 -1.589 -1.768 939 HB3 LYS 31 1HB LYS 31 -23.539 -1.823 -3.517 940 HG2 LYS 31 2HG LYS 31 -21.648 -3.461 -3.152 941 HG3 LYS 31 1HG LYS 31 -21.954 -3.309 -1.421 942 HD2 LYS 31 2HD LYS 31 -24.281 -3.931 -1.825 943 HD3 LYS 31 1HD LYS 31 -23.877 -4.330 -3.487 944 HE2 LYS 31 2HE LYS 31 -22.479 -5.520 -1.074 945 HE3 LYS 31 1HE LYS 31 -23.836 -6.299 -1.887 946 HZ1 LYS 31 3HZ LYS 31 -22.565 -6.898 -3.607 947 HZ2 LYS 31 1HZ LYS 31 -21.255 -6.625 -2.564 948 HZ3 LYS 31 2HZ LYS 31 -21.736 -5.415 -3.656 949 H GLU 32 H GLU 32 -20.261 -2.778 -2.262 950 HA GLU 32 HA GLU 32 -19.804 -2.460 0.497 951 HB2 GLU 32 2HB GLU 32 -17.995 -3.752 -1.556 952 HB3 GLU 32 1HB GLU 32 -17.896 -3.978 0.187 953 HG2 GLU 32 2HG GLU 32 -20.231 -4.861 0.156 954 HG3 GLU 32 1HG GLU 32 -20.211 -4.750 -1.596 955 H LEU 33 H LEU 33 -17.605 -1.527 -2.239 956 HA LEU 33 HA LEU 33 -15.660 -0.460 -0.512 957 HB2 LEU 33 2HB LEU 33 -14.803 0.846 -2.447 958 HB3 LEU 33 1HB LEU 33 -14.959 -0.865 -2.723 959 HG LEU 33 HG LEU 33 -17.393 -0.056 -3.619 960 HD11 LEU 33 1HD1 LEU 33 -15.467 2.103 -4.553 961 HD12 LEU 33 2HD1 LEU 33 -16.644 2.368 -3.262 962 HD13 LEU 33 3HD1 LEU 33 -17.189 1.982 -4.887 963 HD21 LEU 33 3HD2 LEU 33 -16.041 0.015 -5.934 964 HD22 LEU 33 1HD2 LEU 33 -16.193 -1.492 -5.025 965 HD23 LEU 33 2HD2 LEU 33 -14.718 -0.537 -4.917 966 H LYS 34 H LYS 34 -18.556 1.001 -1.900 967 HA LYS 34 HA LYS 34 -17.923 3.633 -1.179 968 HB2 LYS 34 2HB LYS 34 -19.962 2.979 -2.474 969 HB3 LYS 34 1HB LYS 34 -20.643 2.301 -0.997 970 HG2 LYS 34 2HG LYS 34 -21.581 4.475 -1.132 971 HG3 LYS 34 1HG LYS 34 -20.271 4.638 0.036 972 HD2 LYS 34 2HD LYS 34 -18.804 5.583 -1.661 973 HD3 LYS 34 1HD LYS 34 -20.000 5.273 -2.910 974 HE2 LYS 34 2HE LYS 34 -20.681 7.410 -2.530 975 HE3 LYS 34 1HE LYS 34 -21.430 6.772 -1.065 976 HZ1 LYS 34 3HZ LYS 34 -18.940 8.265 -1.389 977 HZ2 LYS 34 1HZ LYS 34 -18.989 7.086 -0.171 978 HZ3 LYS 34 2HZ LYS 34 -20.113 8.360 -0.163 979 H GLU 35 H GLU 35 -19.075 0.852 0.700 980 HA GLU 35 HA GLU 35 -19.491 2.402 3.090 981 HB2 GLU 35 2HB GLU 35 -19.292 -0.575 2.626 982 HB3 GLU 35 1HB GLU 35 -19.728 0.176 4.160 983 HG2 GLU 35 2HG GLU 35 -21.622 1.322 3.052 984 HG3 GLU 35 1HG GLU 35 -21.214 0.506 1.545 985 H LEU 36 H LEU 36 -16.825 0.329 1.894 986 HA LEU 36 HA LEU 36 -15.370 0.308 4.326 987 HB2 LEU 36 2HB LEU 36 -15.045 -1.151 2.219 988 HB3 LEU 36 1HB LEU 36 -14.088 0.185 1.594 989 HG LEU 36 HG LEU 36 -13.529 -1.299 4.206 990 HD11 LEU 36 1HD1 LEU 36 -12.118 -2.670 3.095 991 HD12 LEU 36 2HD1 LEU 36 -11.584 -1.412 1.984 992 HD13 LEU 36 3HD1 LEU 36 -13.094 -2.264 1.686 993 HD21 LEU 36 3HD2 LEU 36 -12.559 0.763 4.577 994 HD22 LEU 36 1HD2 LEU 36 -12.286 1.079 2.871 995 HD23 LEU 36 2HD2 LEU 36 -11.250 -0.047 3.737 996 H LEU 37 H LEU 37 -15.101 2.489 1.452 997 HA LEU 37 HA LEU 37 -12.926 3.960 2.535 998 HB2 LEU 37 2HB LEU 37 -14.986 4.680 0.453 999 HB3 LEU 37 1HB LEU 37 -13.744 5.815 0.963 1000 HG LEU 37 HG LEU 37 -13.276 4.351 -1.127 1001 HD11 LEU 37 1HD1 LEU 37 -11.200 4.232 1.075 1002 HD12 LEU 37 2HD1 LEU 37 -11.592 5.712 0.201 1003 HD13 LEU 37 3HD1 LEU 37 -10.919 4.330 -0.663 1004 HD21 LEU 37 3HD2 LEU 37 -12.506 2.341 0.981 1005 HD22 LEU 37 1HD2 LEU 37 -12.471 2.138 -0.765 1006 HD23 LEU 37 2HD2 LEU 37 -14.010 2.239 0.079 1007 H GLN 38 H GLN 38 -16.448 4.506 2.689 1008 HA GLN 38 HA GLN 38 -16.281 6.959 4.085 1009 HB2 GLN 38 2HB GLN 38 -18.480 4.891 3.997 1010 HB3 GLN 38 1HB GLN 38 -18.644 6.478 4.746 1011 HG2 GLN 38 2HG GLN 38 -18.137 7.568 2.610 1012 HG3 GLN 38 1HG GLN 38 -17.905 6.000 1.840 1013 HE21 GLN 38 1HE2 GLN 38 -19.921 7.912 0.992 1014 HE22 GLN 38 2HE2 GLN 38 -21.438 7.207 1.273 1015 H THR 39 H THR 39 -16.435 3.609 5.221 1016 HA THR 39 HA THR 39 -16.682 4.325 7.979 1017 HB THR 39 HB THR 39 -16.234 1.963 8.425 1018 HG1 THR 39 1HG THR 39 -14.682 1.469 6.964 1019 HG21 THR 39 3HG2 THR 39 -18.208 2.873 6.406 1020 HG22 THR 39 1HG2 THR 39 -18.457 2.006 7.921 1021 HG23 THR 39 2HG2 THR 39 -17.942 1.132 6.480 1022 H GLU 40 H GLU 40 -13.955 3.716 5.836 1023 HA GLU 40 HA GLU 40 -12.124 3.954 8.120 1024 HB2 GLU 40 2HB GLU 40 -11.732 2.999 5.295 1025 HB3 GLU 40 1HB GLU 40 -10.409 3.264 6.413 1026 HG2 GLU 40 2HG GLU 40 -12.757 1.434 6.949 1027 HG3 GLU 40 1HG GLU 40 -11.171 0.896 6.402 1028 H LEU 41 H LEU 41 -12.230 5.265 4.759 1029 HA LEU 41 HA LEU 41 -10.627 7.536 5.732 1030 HB2 LEU 41 2HB LEU 41 -11.361 6.829 2.887 1031 HB3 LEU 41 1HB LEU 41 -10.225 8.069 3.395 1032 HG LEU 41 HG LEU 41 -9.919 5.076 3.789 1033 HD11 LEU 41 1HD1 LEU 41 -8.295 5.180 2.100 1034 HD12 LEU 41 2HD1 LEU 41 -8.064 6.918 2.298 1035 HD13 LEU 41 3HD1 LEU 41 -9.515 6.309 1.508 1036 HD21 LEU 41 3HD2 LEU 41 -7.526 5.926 4.473 1037 HD22 LEU 41 1HD2 LEU 41 -8.809 5.947 5.679 1038 HD23 LEU 41 2HD2 LEU 41 -8.353 7.436 4.839 1039 H SER 42 H SER 42 -11.272 9.626 5.672 1040 HA SER 42 HA SER 42 -14.134 10.052 5.018 1041 HB2 SER 42 2HB SER 42 -12.392 10.994 7.210 1042 HB3 SER 42 1HB SER 42 -13.486 12.203 6.544 1043 HG SER 42 HG SER 42 -14.211 10.638 8.302 1044 H GLY 43 H GLY 43 -11.130 11.961 5.196 1045 HA2 GLY 43 2HA GLY 43 -11.958 14.062 3.579 1046 HA3 GLY 43 1HA GLY 43 -10.288 13.623 3.873 1047 H PHE 44 H PHE 44 -10.309 11.049 2.522 1048 HA PHE 44 HA PHE 44 -9.752 11.967 -0.079 1049 HB2 PHE 44 2HB PHE 44 -10.162 9.185 1.003 1050 HB3 PHE 44 1HB PHE 44 -9.656 9.511 -0.656 1051 HD1 PHE 44 1HD PHE 44 -7.494 10.580 -1.132 1052 HD2 PHE 44 2HD PHE 44 -8.671 9.623 2.884 1053 HE1 PHE 44 1HE PHE 44 -5.158 10.905 -0.369 1054 HE2 PHE 44 2HE PHE 44 -6.336 9.944 3.647 1055 HZ PHE 44 HZ PHE 44 -4.578 10.586 2.020 1056 H LEU 45 H LEU 45 -12.524 9.928 0.967 1057 HA LEU 45 HA LEU 45 -13.765 10.182 -1.620 1058 HB2 LEU 45 2HB LEU 45 -14.376 8.762 0.894 1059 HB3 LEU 45 1HB LEU 45 -15.795 9.307 0.004 1060 HG LEU 45 HG LEU 45 -14.955 6.994 -0.629 1061 HD11 LEU 45 1HD1 LEU 45 -16.204 7.529 -2.424 1062 HD12 LEU 45 2HD1 LEU 45 -14.755 8.143 -3.214 1063 HD13 LEU 45 3HD1 LEU 45 -15.783 9.238 -2.281 1064 HD21 LEU 45 3HD2 LEU 45 -12.461 8.181 -0.664 1065 HD22 LEU 45 1HD2 LEU 45 -12.864 8.150 -2.384 1066 HD23 LEU 45 2HD2 LEU 45 -12.856 6.657 -1.453 1067 H ASP 46 H ASP 46 -14.165 11.766 1.472 1068 HA ASP 46 HA ASP 46 -16.524 13.130 0.882 1069 HB2 ASP 46 2HB ASP 46 -15.505 13.003 3.146 1070 HB3 ASP 46 1HB ASP 46 -14.250 14.124 2.618 1071 H ALA 47 H ALA 47 -13.228 13.754 -0.066 1072 HA ALA 47 HA ALA 47 -13.356 16.444 -0.726 1073 HB1 ALA 47 1HB ALA 47 -11.562 15.894 -2.400 1074 HB2 ALA 47 2HB ALA 47 -11.821 14.190 -2.024 1075 HB3 ALA 47 3HB ALA 47 -11.253 15.294 -0.771 1076 H GLN 48 H GLN 48 -14.636 13.667 -2.542 1077 HA GLN 48 HA GLN 48 -15.305 15.489 -4.766 1078 HB2 GLN 48 2HB GLN 48 -15.842 12.520 -4.575 1079 HB3 GLN 48 1HB GLN 48 -15.857 13.534 -6.019 1080 HG2 GLN 48 2HG GLN 48 -13.441 12.866 -4.315 1081 HG3 GLN 48 1HG GLN 48 -13.767 12.294 -5.951 1082 HE21 GLN 48 1HE2 GLN 48 -11.810 14.412 -4.450 1083 HE22 GLN 48 2HE2 GLN 48 -11.729 15.643 -5.616 1084 H LYS 49 H LYS 49 -17.161 16.547 -4.618 1085 HA LYS 49 HA LYS 49 -19.167 16.019 -2.727 1086 HB2 LYS 49 2HB LYS 49 -19.223 17.706 -5.226 1087 HB3 LYS 49 1HB LYS 49 -20.483 17.716 -3.991 1088 HG2 LYS 49 2HG LYS 49 -18.757 18.320 -2.290 1089 HG3 LYS 49 1HG LYS 49 -17.563 18.425 -3.586 1090 HD2 LYS 49 2HD LYS 49 -18.993 20.142 -4.707 1091 HD3 LYS 49 1HD LYS 49 -20.080 20.095 -3.319 1092 HE2 LYS 49 2HE LYS 49 -17.153 20.881 -3.290 1093 HE3 LYS 49 1HE LYS 49 -18.531 21.953 -3.042 1094 HZ1 LYS 49 3HZ LYS 49 -17.502 19.828 -1.273 1095 HZ2 LYS 49 1HZ LYS 49 -19.110 20.353 -1.148 1096 HZ3 LYS 49 2HZ LYS 49 -17.838 21.453 -0.906 1097 H ASP 50 H ASP 50 -18.998 15.103 -6.146 1098 HA ASP 50 HA ASP 50 -21.722 14.311 -6.308 1099 HB2 ASP 50 2HB ASP 50 -19.359 13.560 -8.025 1100 HB3 ASP 50 1HB ASP 50 -21.040 13.146 -8.381 1101 H VAL 51 H VAL 51 -22.716 12.363 -6.188 1102 HA VAL 51 HA VAL 51 -21.505 10.330 -4.545 1103 HB VAL 51 HB VAL 51 -23.589 9.170 -4.708 1104 HG11 VAL 51 1HG1 VAL 51 -23.445 11.628 -3.677 1105 HG12 VAL 51 2HG1 VAL 51 -24.964 10.736 -3.726 1106 HG13 VAL 51 3HG1 VAL 51 -24.625 11.963 -4.946 1107 HG21 VAL 51 3HG2 VAL 51 -23.913 9.204 -7.125 1108 HG22 VAL 51 1HG2 VAL 51 -24.176 10.947 -7.102 1109 HG23 VAL 51 2HG2 VAL 51 -25.347 9.871 -6.350 1110 H ASP 52 H ASP 52 -21.989 11.023 -7.875 1111 HA ASP 52 HA ASP 52 -21.519 8.533 -9.091 1112 HB2 ASP 52 2HB ASP 52 -22.329 10.636 -10.231 1113 HB3 ASP 52 1HB ASP 52 -20.678 11.246 -10.138 1114 H ALA 53 H ALA 53 -19.510 10.802 -7.487 1115 HA ALA 53 HA ALA 53 -17.006 10.381 -8.550 1116 HB1 ALA 53 1HB ALA 53 -17.575 10.609 -5.601 1117 HB2 ALA 53 2HB ALA 53 -17.636 11.980 -6.712 1118 HB3 ALA 53 3HB ALA 53 -16.121 11.106 -6.466 1119 H VAL 54 H VAL 54 -18.802 8.318 -6.260 1120 HA VAL 54 HA VAL 54 -16.659 6.591 -5.635 1121 HB VAL 54 HB VAL 54 -18.916 6.593 -4.498 1122 HG11 VAL 54 1HG1 VAL 54 -20.062 6.524 -6.859 1123 HG12 VAL 54 2HG1 VAL 54 -20.792 5.631 -5.529 1124 HG13 VAL 54 3HG1 VAL 54 -19.817 4.785 -6.731 1125 HG21 VAL 54 3HG2 VAL 54 -17.563 4.122 -5.551 1126 HG22 VAL 54 1HG2 VAL 54 -19.018 3.962 -4.575 1127 HG23 VAL 54 2HG2 VAL 54 -17.592 4.755 -3.905 1128 H ASP 55 H ASP 55 -19.060 6.533 -8.250 1129 HA ASP 55 HA ASP 55 -18.224 4.101 -9.405 1130 HB2 ASP 55 2HB ASP 55 -19.570 6.526 -10.568 1131 HB3 ASP 55 1HB ASP 55 -19.338 5.026 -11.465 1132 H LYS 56 H LYS 56 -17.295 7.483 -10.008 1133 HA LYS 56 HA LYS 56 -15.552 6.922 -12.155 1134 HB2 LYS 56 2HB LYS 56 -15.490 9.179 -10.146 1135 HB3 LYS 56 1HB LYS 56 -14.498 9.115 -11.605 1136 HG2 LYS 56 2HG LYS 56 -16.660 8.812 -12.918 1137 HG3 LYS 56 1HG LYS 56 -17.520 9.215 -11.434 1138 HD2 LYS 56 2HD LYS 56 -15.420 10.996 -12.704 1139 HD3 LYS 56 1HD LYS 56 -17.152 11.178 -12.971 1140 HE2 LYS 56 2HE LYS 56 -17.451 11.431 -10.497 1141 HE3 LYS 56 1HE LYS 56 -15.695 11.413 -10.321 1142 HZ1 LYS 56 3HZ LYS 56 -17.270 13.594 -10.858 1143 HZ2 LYS 56 1HZ LYS 56 -16.523 13.237 -12.338 1144 HZ3 LYS 56 2HZ LYS 56 -15.576 13.517 -10.955 1145 H VAL 57 H VAL 57 -15.062 6.907 -8.654 1146 HA VAL 57 HA VAL 57 -12.248 6.577 -8.729 1147 HB VAL 57 HB VAL 57 -14.299 5.743 -6.665 1148 HG11 VAL 57 1HG1 VAL 57 -12.427 4.342 -6.263 1149 HG12 VAL 57 2HG1 VAL 57 -12.199 5.712 -5.175 1150 HG13 VAL 57 3HG1 VAL 57 -11.282 5.617 -6.678 1151 HG21 VAL 57 3HG2 VAL 57 -13.788 8.241 -7.266 1152 HG22 VAL 57 1HG2 VAL 57 -12.265 7.952 -6.424 1153 HG23 VAL 57 2HG2 VAL 57 -13.796 7.760 -5.567 1154 H MET 58 H MET 58 -14.931 4.237 -8.565 1155 HA MET 58 HA MET 58 -13.194 1.986 -8.533 1156 HB2 MET 58 2HB MET 58 -15.032 0.712 -8.205 1157 HB3 MET 58 1HB MET 58 -15.723 2.265 -7.781 1158 HG2 MET 58 2HG MET 58 -17.336 1.633 -9.263 1159 HG3 MET 58 1HG MET 58 -16.210 2.235 -10.467 1160 HE1 MET 58 3HE MET 58 -17.277 -0.435 -8.245 1161 HE2 MET 58 1HE MET 58 -16.888 -1.994 -8.982 1162 HE3 MET 58 2HE MET 58 -18.276 -1.071 -9.549 1163 H LYS 59 H LYS 59 -14.762 3.679 -11.250 1164 HA LYS 59 HA LYS 59 -14.427 1.633 -13.154 1165 HB2 LYS 59 2HB LYS 59 -14.338 4.607 -13.564 1166 HB3 LYS 59 1HB LYS 59 -14.412 3.403 -14.853 1167 HG2 LYS 59 2HG LYS 59 -16.465 2.607 -13.117 1168 HG3 LYS 59 1HG LYS 59 -16.548 4.367 -13.076 1169 HD2 LYS 59 2HD LYS 59 -16.437 2.711 -15.573 1170 HD3 LYS 59 1HD LYS 59 -17.926 3.382 -14.893 1171 HE2 LYS 59 2HE LYS 59 -16.605 5.658 -14.981 1172 HE3 LYS 59 1HE LYS 59 -15.619 4.822 -16.181 1173 HZ1 LYS 59 3HZ LYS 59 -17.259 4.872 -17.677 1174 HZ2 LYS 59 1HZ LYS 59 -17.926 6.098 -16.711 1175 HZ3 LYS 59 2HZ LYS 59 -18.462 4.495 -16.538 1176 H GLU 60 H GLU 60 -12.137 4.153 -12.093 1177 HA GLU 60 HA GLU 60 -10.125 3.543 -13.999 1178 HB2 GLU 60 2HB GLU 60 -10.166 5.608 -12.614 1179 HB3 GLU 60 1HB GLU 60 -9.782 4.637 -11.196 1180 HG2 GLU 60 2HG GLU 60 -7.705 3.862 -12.328 1181 HG3 GLU 60 1HG GLU 60 -8.074 4.927 -13.680 1182 H LEU 61 H LEU 61 -10.833 2.374 -10.774 1183 HA LEU 61 HA LEU 61 -8.544 0.732 -10.521 1184 HB2 LEU 61 2HB LEU 61 -11.194 0.563 -9.089 1185 HB3 LEU 61 1HB LEU 61 -9.723 -0.260 -8.603 1186 HG LEU 61 HG LEU 61 -10.113 2.740 -8.738 1187 HD11 LEU 61 1HD1 LEU 61 -11.117 1.188 -6.841 1188 HD12 LEU 61 2HD1 LEU 61 -10.328 2.705 -6.427 1189 HD13 LEU 61 3HD1 LEU 61 -9.450 1.183 -6.265 1190 HD21 LEU 61 3HD2 LEU 61 -7.690 1.013 -8.276 1191 HD22 LEU 61 1HD2 LEU 61 -7.841 2.528 -7.405 1192 HD23 LEU 61 2HD2 LEU 61 -7.818 2.548 -9.155 1193 H ASP 62 H ASP 62 -11.730 0.133 -11.865 1194 HA ASP 62 HA ASP 62 -11.372 -2.698 -11.848 1195 HB2 ASP 62 2HB ASP 62 -13.594 -1.564 -11.990 1196 HB3 ASP 62 1HB ASP 62 -13.194 -1.095 -13.644 1197 H GLU 63 H GLU 63 -9.316 -2.994 -12.709 1198 HA GLU 63 HA GLU 63 -8.440 -2.194 -15.280 1199 HB2 GLU 63 2HB GLU 63 -6.912 -3.036 -13.597 1200 HB3 GLU 63 1HB GLU 63 -7.796 -4.565 -13.516 1201 HG2 GLU 63 2HG GLU 63 -7.245 -5.038 -15.839 1202 HG3 GLU 63 1HG GLU 63 -6.331 -3.514 -15.958 1203 H ASN 64 H ASN 64 -9.880 -5.067 -14.023 1204 HA ASN 64 HA ASN 64 -9.976 -6.686 -16.272 1205 HB2 ASN 64 2HB ASN 64 -11.732 -6.374 -13.897 1206 HB3 ASN 64 1HB ASN 64 -11.763 -7.800 -14.930 1207 HD21 ASN 64 1HD2 ASN 64 -9.054 -8.326 -15.283 1208 HD22 ASN 64 2HD2 ASN 64 -8.298 -8.566 -13.783 1209 H GLY 65 H GLY 65 -12.179 -4.194 -15.098 1210 HA2 GLY 65 2HA GLY 65 -13.810 -3.006 -16.270 1211 HA3 GLY 65 1HA GLY 65 -13.495 -4.022 -17.682 1212 H ASP 66 H ASP 66 -13.836 -5.636 -14.708 1213 HA ASP 66 HA ASP 66 -16.250 -6.951 -15.623 1214 HB2 ASP 66 2HB ASP 66 -15.826 -8.466 -13.727 1215 HB3 ASP 66 1HB ASP 66 -14.391 -8.265 -14.726 1216 H GLY 67 H GLY 67 -15.814 -4.154 -13.988 1217 HA2 GLY 67 2HA GLY 67 -17.438 -2.830 -12.975 1218 HA3 GLY 67 1HA GLY 67 -18.503 -4.232 -12.917 1219 H GLU 68 H GLU 68 -15.598 -5.217 -11.729 1220 HA GLU 68 HA GLU 68 -16.345 -4.582 -8.934 1221 HB2 GLU 68 2HB GLU 68 -15.129 -7.099 -10.035 1222 HB3 GLU 68 1HB GLU 68 -15.242 -6.733 -8.324 1223 HG2 GLU 68 2HG GLU 68 -17.111 -8.055 -8.672 1224 HG3 GLU 68 1HG GLU 68 -17.778 -6.425 -8.817 1225 H VAL 69 H VAL 69 -14.695 -4.471 -7.408 1226 HA VAL 69 HA VAL 69 -12.071 -3.696 -8.511 1227 HB VAL 69 HB VAL 69 -13.336 -2.940 -5.869 1228 HG11 VAL 69 1HG1 VAL 69 -11.470 -1.337 -5.724 1229 HG12 VAL 69 2HG1 VAL 69 -10.819 -1.968 -7.236 1230 HG13 VAL 69 3HG1 VAL 69 -10.880 -2.997 -5.802 1231 HG21 VAL 69 3HG2 VAL 69 -13.558 -0.697 -6.867 1232 HG22 VAL 69 1HG2 VAL 69 -14.490 -1.895 -7.762 1233 HG23 VAL 69 2HG2 VAL 69 -12.946 -1.326 -8.397 1234 H ASP 70 H ASP 70 -10.346 -4.933 -7.919 1235 HA ASP 70 HA ASP 70 -10.893 -7.173 -6.090 1236 HB2 ASP 70 2HB ASP 70 -10.100 -7.641 -8.420 1237 HB3 ASP 70 1HB ASP 70 -8.572 -6.878 -7.995 1238 H PHE 71 H PHE 71 -9.216 -7.901 -4.656 1239 HA PHE 71 HA PHE 71 -8.408 -6.047 -2.778 1240 HB2 PHE 71 2HB PHE 71 -8.455 -8.622 -2.719 1241 HB3 PHE 71 1HB PHE 71 -6.872 -8.560 -3.469 1242 HD1 PHE 71 1HD PHE 71 -6.532 -5.759 -1.547 1243 HD2 PHE 71 2HD PHE 71 -7.159 -9.972 -1.018 1244 HE1 PHE 71 1HE PHE 71 -5.476 -5.634 0.685 1245 HE2 PHE 71 2HE PHE 71 -6.115 -9.829 1.215 1246 HZ PHE 71 HZ PHE 71 -5.278 -7.669 2.058 1247 H GLN 72 H GLN 72 -6.545 -7.331 -5.564 1248 HA GLN 72 HA GLN 72 -4.150 -5.917 -4.986 1249 HB2 GLN 72 2HB GLN 72 -5.290 -6.867 -7.632 1250 HB3 GLN 72 1HB GLN 72 -3.647 -6.263 -7.409 1251 HG2 GLN 72 2HG GLN 72 -3.200 -8.036 -5.779 1252 HG3 GLN 72 1HG GLN 72 -4.839 -8.634 -5.936 1253 HE21 GLN 72 1HE2 GLN 72 -2.688 -10.344 -6.470 1254 HE22 GLN 72 2HE2 GLN 72 -2.629 -10.665 -8.132 1255 H GLU 73 H GLU 73 -7.047 -5.043 -6.875 1256 HA GLU 73 HA GLU 73 -6.069 -2.591 -7.895 1257 HB2 GLU 73 2HB GLU 73 -8.896 -3.457 -7.263 1258 HB3 GLU 73 1HB GLU 73 -8.469 -2.047 -8.218 1259 HG2 GLU 73 2HG GLU 73 -7.296 -3.553 -9.839 1260 HG3 GLU 73 1HG GLU 73 -7.858 -4.937 -8.907 1261 H TYR 74 H TYR 74 -7.852 -3.470 -4.993 1262 HA TYR 74 HA TYR 74 -8.280 -0.900 -3.888 1263 HB2 TYR 74 2HB TYR 74 -9.437 -3.001 -3.209 1264 HB3 TYR 74 1HB TYR 74 -7.936 -3.562 -2.481 1265 HD1 TYR 74 1HD TYR 74 -10.715 -1.182 -2.243 1266 HD2 TYR 74 2HD TYR 74 -7.058 -2.530 -0.442 1267 HE1 TYR 74 1HE TYR 74 -11.279 0.050 -0.170 1268 HE2 TYR 74 2HE TYR 74 -7.622 -1.286 1.629 1269 HH TYR 74 HH TYR 74 -10.052 1.048 1.753 1270 H VAL 75 H VAL 75 -5.767 -3.277 -3.600 1271 HA VAL 75 HA VAL 75 -4.246 -2.073 -1.570 1272 HB VAL 75 HB VAL 75 -4.035 -4.447 -3.146 1273 HG11 VAL 75 1HG1 VAL 75 -1.548 -2.767 -3.385 1274 HG12 VAL 75 2HG1 VAL 75 -2.483 -3.474 -4.689 1275 HG13 VAL 75 3HG1 VAL 75 -1.580 -4.508 -3.587 1276 HG21 VAL 75 3HG2 VAL 75 -2.423 -3.349 -0.841 1277 HG22 VAL 75 1HG2 VAL 75 -2.183 -4.969 -1.494 1278 HG23 VAL 75 2HG2 VAL 75 -3.741 -4.527 -0.794 1279 H VAL 76 H VAL 76 -3.943 -1.822 -5.144 1280 HA VAL 76 HA VAL 76 -1.789 0.049 -4.872 1281 HB VAL 76 HB VAL 76 -2.045 0.544 -7.218 1282 HG11 VAL 76 1HG1 VAL 76 -2.716 -2.385 -6.990 1283 HG12 VAL 76 2HG1 VAL 76 -1.204 -1.761 -6.329 1284 HG13 VAL 76 3HG1 VAL 76 -1.549 -1.596 -8.050 1285 HG21 VAL 76 3HG2 VAL 76 -3.911 -0.220 -8.538 1286 HG22 VAL 76 1HG2 VAL 76 -4.574 0.658 -7.163 1287 HG23 VAL 76 2HG2 VAL 76 -4.573 -1.098 -7.170 1288 H LEU 77 H LEU 77 -5.338 0.364 -4.943 1289 HA LEU 77 HA LEU 77 -5.465 3.149 -5.294 1290 HB2 LEU 77 2HB LEU 77 -7.495 1.860 -5.275 1291 HB3 LEU 77 1HB LEU 77 -7.196 1.309 -3.636 1292 HG LEU 77 HG LEU 77 -7.407 3.666 -2.829 1293 HD11 LEU 77 1HD1 LEU 77 -6.819 4.914 -4.819 1294 HD12 LEU 77 2HD1 LEU 77 -8.474 5.314 -4.377 1295 HD13 LEU 77 3HD1 LEU 77 -8.161 4.215 -5.708 1296 HD21 LEU 77 3HD2 LEU 77 -9.930 3.819 -3.504 1297 HD22 LEU 77 1HD2 LEU 77 -9.359 2.460 -2.534 1298 HD23 LEU 77 2HD2 LEU 77 -9.623 2.259 -4.267 1299 H VAL 78 H VAL 78 -5.277 1.367 -2.167 1300 HA VAL 78 HA VAL 78 -5.076 3.825 -0.720 1301 HB VAL 78 HB VAL 78 -4.461 2.514 1.249 1302 HG11 VAL 78 1HG1 VAL 78 -6.737 2.589 1.133 1303 HG12 VAL 78 2HG1 VAL 78 -6.529 0.846 0.969 1304 HG13 VAL 78 3HG1 VAL 78 -6.803 1.839 -0.466 1305 HG21 VAL 78 3HG2 VAL 78 -3.078 0.790 0.017 1306 HG22 VAL 78 1HG2 VAL 78 -4.586 0.045 -0.513 1307 HG23 VAL 78 2HG2 VAL 78 -4.197 0.127 1.199 1308 H ALA 79 H ALA 79 -2.638 1.610 -2.042 1309 HA ALA 79 HA ALA 79 -0.466 2.851 -0.632 1310 HB1 ALA 79 1HB ALA 79 0.028 1.605 -3.287 1311 HB2 ALA 79 2HB ALA 79 -0.642 0.588 -2.017 1312 HB3 ALA 79 3HB ALA 79 0.887 1.409 -1.757 1313 H ALA 80 H ALA 80 -1.713 3.285 -3.935 1314 HA ALA 80 HA ALA 80 0.133 5.281 -4.701 1315 HB1 ALA 80 1HB ALA 80 -2.643 4.590 -5.679 1316 HB2 ALA 80 2HB ALA 80 -1.095 4.175 -6.420 1317 HB3 ALA 80 3HB ALA 80 -1.654 5.851 -6.418 1318 H LEU 81 H LEU 81 -3.067 5.379 -3.134 1319 HA LEU 81 HA LEU 81 -3.175 8.237 -3.097 1320 HB2 LEU 81 2HB LEU 81 -4.669 6.056 -1.730 1321 HB3 LEU 81 1HB LEU 81 -4.725 7.664 -1.010 1322 HG LEU 81 HG LEU 81 -5.684 8.636 -2.966 1323 HD11 LEU 81 1HD1 LEU 81 -4.751 6.153 -4.369 1324 HD12 LEU 81 2HD1 LEU 81 -4.565 7.835 -4.844 1325 HD13 LEU 81 3HD1 LEU 81 -6.123 7.043 -5.007 1326 HD21 LEU 81 3HD2 LEU 81 -7.247 7.209 -1.606 1327 HD22 LEU 81 1HD2 LEU 81 -6.979 5.901 -2.761 1328 HD23 LEU 81 2HD2 LEU 81 -7.740 7.399 -3.287 1329 H THR 82 H THR 82 -1.686 5.819 -0.982 1330 HA THR 82 HA THR 82 -1.167 7.561 1.191 1331 HB THR 82 HB THR 82 0.534 5.245 0.238 1332 HG1 THR 82 1HG THR 82 -0.854 4.287 2.036 1333 HG21 THR 82 3HG2 THR 82 0.396 6.906 2.715 1334 HG22 THR 82 1HG2 THR 82 1.792 6.164 1.931 1335 HG23 THR 82 2HG2 THR 82 0.696 5.180 2.901 1336 H VAL 83 H VAL 83 0.909 6.672 -1.599 1337 HA VAL 83 HA VAL 83 2.988 8.481 -0.834 1338 HB VAL 83 HB VAL 83 3.436 6.662 -2.441 1339 HG11 VAL 83 1HG1 VAL 83 2.701 6.731 -4.702 1340 HG12 VAL 83 2HG1 VAL 83 2.050 8.357 -4.525 1341 HG13 VAL 83 3HG1 VAL 83 1.271 6.995 -3.741 1342 HG21 VAL 83 3HG2 VAL 83 5.047 7.871 -3.610 1343 HG22 VAL 83 1HG2 VAL 83 4.656 8.996 -2.309 1344 HG23 VAL 83 2HG2 VAL 83 3.957 9.226 -3.915 1345 H ALA 84 H ALA 84 0.130 8.872 -2.880 1346 HA ALA 84 HA ALA 84 0.763 11.475 -3.821 1347 HB1 ALA 84 1HB ALA 84 -2.003 10.353 -3.350 1348 HB2 ALA 84 2HB ALA 84 -1.006 9.919 -4.740 1349 HB3 ALA 84 3HB ALA 84 -1.524 11.590 -4.512 1350 H CYS 85 H CHC 85 -0.658 10.215 -0.902 1351 HA CYS 85 HA CHC 85 -1.726 12.644 0.102 1352 HB2 CYS 85 2HB CHC 85 -2.282 10.297 0.898 1353 HB3 CYS 85 1HB CHC 85 -0.734 10.309 1.743 1354 H ASN 86 H ASN 86 1.303 10.862 0.876 1355 HA ASN 86 HA ASN 86 2.323 12.858 2.581 1356 HB2 ASN 86 2HB ASN 86 3.300 10.541 2.175 1357 HB3 ASN 86 1HB ASN 86 4.022 11.207 0.710 1358 HD21 ASN 86 1HD2 ASN 86 6.089 12.047 1.015 1359 HD22 ASN 86 2HD2 ASN 86 6.693 12.634 2.490 1360 H ASN 87 H ASN 87 2.522 12.464 -0.957 1361 HA ASN 87 HA ASN 87 4.213 14.672 -1.470 1362 HB2 ASN 87 2HB ASN 87 3.399 12.883 -3.141 1363 HB3 ASN 87 1HB ASN 87 1.948 13.880 -3.281 1364 HD21 ASN 87 1HD2 ASN 87 2.848 14.061 -5.626 1365 HD22 ASN 87 2HD2 ASN 87 3.940 15.327 -5.916 1366 H PHE 88 H PHE 88 0.724 14.397 -1.000 1367 HA PHE 88 HA PHE 88 0.085 17.055 -1.723 1368 HB2 PHE 88 2HB PHE 88 -1.301 14.982 -0.045 1369 HB3 PHE 88 1HB PHE 88 -1.944 16.613 -0.175 1370 HD1 PHE 88 1HD PHE 88 -0.111 15.216 -3.061 1371 HD2 PHE 88 2HD PHE 88 -3.977 15.716 -1.242 1372 HE1 PHE 88 1HE PHE 88 -1.195 14.646 -5.205 1373 HE2 PHE 88 2HE PHE 88 -5.057 15.143 -3.397 1374 HZ PHE 88 HZ PHE 88 -3.667 14.607 -5.377 1375 H PHE 89 H PHE 89 0.968 15.583 1.399 1376 HA PHE 89 HA PHE 89 0.496 17.920 2.937 1377 HB2 PHE 89 2HB PHE 89 0.722 15.643 3.896 1378 HB3 PHE 89 1HB PHE 89 2.442 15.676 3.505 1379 HD1 PHE 89 1HD PHE 89 -0.219 17.236 5.560 1380 HD2 PHE 89 2HD PHE 89 4.001 16.980 4.797 1381 HE1 PHE 89 1HE PHE 89 0.237 18.467 7.665 1382 HE2 PHE 89 2HE PHE 89 4.457 18.209 6.902 1383 HZ PHE 89 HZ PHE 89 2.574 18.952 8.336 1384 H TRP 90 H TRP 90 3.594 16.541 1.749 1385 HA TRP 90 HA TRP 90 5.154 18.779 2.556 1386 HB2 TRP 90 2HB TRP 90 6.153 16.586 2.087 1387 HB3 TRP 90 1HB TRP 90 5.772 16.802 0.372 1388 HD1 TRP 90 HD TRP 90 6.834 18.943 -0.825 1389 HE1 TRP 90 1HE TRP 90 9.095 20.123 -0.464 1390 HE3 TRP 90 3HE TRP 90 7.972 17.184 3.813 1391 HZ2 TRP 90 2HZ TRP 90 11.127 20.293 1.556 1392 HZ3 TRP 90 3HZ TRP 90 10.070 17.870 4.942 1393 HH2 TRP 90 HH TRP 90 11.646 19.421 3.820 1394 H GLU 91 H GLU 91 3.589 17.971 -0.457 1395 HA GLU 91 HA GLU 91 4.535 20.451 -1.691 1396 HB2 GLU 91 2HB GLU 91 4.356 17.905 -2.634 1397 HB3 GLU 91 1HB GLU 91 2.833 18.557 -3.230 1398 HG2 GLU 91 2HG GLU 91 5.611 19.702 -3.694 1399 HG3 GLU 91 1HG GLU 91 4.589 18.918 -4.898 1400 H ASN 92 H ASN 92 3.185 22.062 -2.400 1401 HA ASN 92 HA ASN 92 0.859 22.624 -0.979 1402 HB2 ASN 92 2HB ASN 92 1.748 23.643 -3.684 1403 HB3 ASN 92 1HB ASN 92 0.447 24.350 -2.727 1404 HD21 ASN 92 1HD2 ASN 92 2.817 25.840 -3.387 1405 HD22 ASN 92 2HD2 ASN 92 3.670 26.132 -1.949 1406 H SER 93 H SER 93 1.270 20.926 -4.033 1407 HA SER 93 HA SER 93 -1.437 20.922 -4.846 1408 HB2 SER 93 2HB SER 93 -0.801 19.234 -6.406 1409 HB3 SER 93 1HB SER 93 0.609 20.276 -6.231 1410 HG SER 93 HG SER 93 1.609 18.748 -5.074 1411 H1 HCS 201 1HT CHC 85 0.475 -11.778 9.447 1412 H2 HCS 201 2HT CHC 85 2.146 -11.492 9.563 1413 H HCS 201 3HT CHC 85 1.404 -12.634 10.578 1414 HCA HCS 201 HH CHC 85 0.962 -14.093 8.769 1415 HB2 HCS 201 1HZ CHC 85 1.993 -13.303 6.494 1416 HB3 HCS 201 2HZ CHC 85 1.828 -11.687 7.184 1417 HG2 HCS 201 1HE CHC 85 -0.608 -12.410 7.728 1418 HG3 HCS 201 2HE CHC 85 -0.329 -13.704 6.561 1419 H1 HCS 201 1HT CHC 85 -2.466 12.810 7.620 1420 H2 HCS 201 2HT CHC 85 -4.123 12.517 7.387 1421 H HCS 201 3HT CHC 85 -3.616 13.782 8.401 1422 HCA HCS 201 HH CHC 85 -2.754 15.022 6.580 1423 HB2 HCS 201 1HZ CHC 85 -3.247 13.952 4.241 1424 HB3 HCS 201 2HZ CHC 85 -3.265 12.433 5.136 1425 HG2 HCS 201 1HE CHC 85 -1.009 13.250 6.134 1426 HG3 HCS 201 2HE CHC 85 -0.997 14.391 4.790 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -9.668 9.072 10.383 2 HA2 GLY 1 2HA GLY 1 -7.537 9.039 11.917 3 HA3 GLY 1 1HA GLY 1 -8.752 9.280 13.169 4 H SER 2 H SER 2 -9.520 7.406 10.347 5 HA SER 2 HA SER 2 -10.215 5.118 11.902 6 HB2 SER 2 2HB SER 2 -10.848 4.110 9.845 7 HB3 SER 2 1HB SER 2 -11.263 5.815 9.703 8 HG SER 2 HG SER 2 -9.486 6.133 8.437 9 H GLU 3 H GLU 3 -9.348 2.922 11.485 10 HA GLU 3 HA GLU 3 -6.600 2.784 12.050 11 HB2 GLU 3 2HB GLU 3 -8.517 0.688 11.018 12 HB3 GLU 3 1HB GLU 3 -6.890 0.335 11.582 13 HG2 GLU 3 2HG GLU 3 -7.446 1.340 13.771 14 HG3 GLU 3 1HG GLU 3 -9.091 1.626 13.207 15 H LEU 4 H LEU 4 -8.355 2.434 8.974 16 HA LEU 4 HA LEU 4 -6.182 1.454 7.445 17 HB2 LEU 4 2HB LEU 4 -8.698 1.725 6.848 18 HB3 LEU 4 1HB LEU 4 -8.254 3.369 6.402 19 HG LEU 4 HG LEU 4 -6.842 0.916 5.322 20 HD11 LEU 4 1HD1 LEU 4 -9.364 1.126 4.746 21 HD12 LEU 4 2HD1 LEU 4 -8.211 0.861 3.441 22 HD13 LEU 4 3HD1 LEU 4 -8.858 2.473 3.724 23 HD21 LEU 4 3HD2 LEU 4 -5.402 2.477 4.629 24 HD22 LEU 4 1HD2 LEU 4 -6.508 3.815 4.921 25 HD23 LEU 4 2HD2 LEU 4 -6.611 2.892 3.426 26 H GLU 5 H GLU 5 -7.330 4.701 8.235 27 HA GLU 5 HA GLU 5 -5.479 6.168 6.681 28 HB2 GLU 5 2HB GLU 5 -7.658 6.915 7.943 29 HB3 GLU 5 1HB GLU 5 -6.561 7.181 9.296 30 HG2 GLU 5 2HG GLU 5 -6.094 8.348 6.539 31 HG3 GLU 5 1HG GLU 5 -6.957 9.201 7.813 32 H THR 6 H THR 6 -5.439 4.939 9.994 33 HA THR 6 HA THR 6 -3.035 6.146 10.830 34 HB THR 6 HB THR 6 -4.123 3.442 11.657 35 HG1 THR 6 1HG THR 6 -4.638 6.060 12.618 36 HG21 THR 6 3HG2 THR 6 -1.817 3.886 12.386 37 HG22 THR 6 1HG2 THR 6 -2.923 3.935 13.759 38 HG23 THR 6 2HG2 THR 6 -2.320 5.438 13.057 39 H ALA 7 H ALA 7 -3.761 3.154 9.117 40 HA ALA 7 HA ALA 7 -1.133 2.104 9.079 41 HB1 ALA 7 1HB ALA 7 -1.939 0.582 7.460 42 HB2 ALA 7 2HB ALA 7 -3.150 1.718 6.875 43 HB3 ALA 7 3HB ALA 7 -3.348 0.954 8.451 44 H MET 8 H MET 8 -2.912 4.192 6.795 45 HA MET 8 HA MET 8 -0.888 4.358 4.816 46 HB2 MET 8 2HB MET 8 -3.000 6.359 5.685 47 HB3 MET 8 1HB MET 8 -2.026 6.527 4.226 48 HG2 MET 8 2HG MET 8 -2.888 4.345 3.414 49 HG3 MET 8 1HG MET 8 -3.891 4.219 4.841 50 HE1 MET 8 3HE MET 8 -2.751 6.118 2.027 51 HE2 MET 8 1HE MET 8 -3.618 7.649 2.162 52 HE3 MET 8 2HE MET 8 -4.195 6.394 1.068 53 H GLU 9 H GLU 9 -1.499 6.221 7.758 54 HA GLU 9 HA GLU 9 0.608 8.087 7.412 55 HB2 GLU 9 2HB GLU 9 -0.784 7.109 9.914 56 HB3 GLU 9 1HB GLU 9 0.372 8.440 9.878 57 HG2 GLU 9 2HG GLU 9 -1.061 9.619 8.234 58 HG3 GLU 9 1HG GLU 9 -2.233 8.310 8.333 59 H THR 10 H THR 10 0.427 4.833 8.811 60 HA THR 10 HA THR 10 2.978 4.893 10.030 61 HB THR 10 HB THR 10 1.507 2.512 8.897 62 HG1 THR 10 1HG THR 10 1.515 3.424 11.564 63 HG21 THR 10 3HG2 THR 10 3.682 2.794 10.989 64 HG22 THR 10 1HG2 THR 10 3.848 2.037 9.402 65 HG23 THR 10 2HG2 THR 10 2.822 1.295 10.634 66 H LEU 11 H LEU 11 1.868 3.890 6.782 67 HA LEU 11 HA LEU 11 4.404 2.982 5.902 68 HB2 LEU 11 2HB LEU 11 2.279 4.313 4.201 69 HB3 LEU 11 1HB LEU 11 3.549 3.235 3.638 70 HG LEU 11 HG LEU 11 1.186 2.525 5.386 71 HD11 LEU 11 1HD1 LEU 11 2.048 1.739 2.602 72 HD12 LEU 11 2HD1 LEU 11 0.606 2.641 3.062 73 HD13 LEU 11 3HD1 LEU 11 0.751 0.935 3.485 74 HD21 LEU 11 3HD2 LEU 11 2.167 0.145 5.029 75 HD22 LEU 11 1HD2 LEU 11 2.847 1.159 6.303 76 HD23 LEU 11 2HD2 LEU 11 3.691 0.982 4.752 77 H ILE 12 H ILE 12 2.814 6.144 5.824 78 HA ILE 12 HA ILE 12 4.897 7.478 4.430 79 HB ILE 12 HB ILE 12 2.892 8.558 6.413 80 HG12 ILE 12 2HG1 ILE 12 2.932 8.694 3.388 81 HG13 ILE 12 1HG1 ILE 12 2.039 7.474 4.278 82 HG21 ILE 12 1HG2 ILE 12 3.430 10.744 5.262 83 HG22 ILE 12 2HG2 ILE 12 4.814 9.937 4.522 84 HG23 ILE 12 3HG2 ILE 12 4.726 10.110 6.276 85 HD11 ILE 12 3HD1 ILE 12 1.680 10.439 4.760 86 HD12 ILE 12 1HD1 ILE 12 0.628 9.126 5.289 87 HD13 ILE 12 2HD1 ILE 12 0.718 9.548 3.578 88 H ASN 13 H ASN 13 4.331 7.049 7.906 89 HA ASN 13 HA ASN 13 6.478 8.616 8.798 90 HB2 ASN 13 2HB ASN 13 5.121 6.241 10.068 91 HB3 ASN 13 1HB ASN 13 6.259 7.298 10.903 92 HD21 ASN 13 1HD2 ASN 13 3.541 7.074 11.772 93 HD22 ASN 13 2HD2 ASN 13 2.765 8.555 11.481 94 H VAL 14 H VAL 14 6.393 5.119 8.016 95 HA VAL 14 HA VAL 14 9.108 4.792 8.891 96 HB VAL 14 HB VAL 14 9.031 2.535 8.046 97 HG11 VAL 14 1HG1 VAL 14 6.334 3.225 9.236 98 HG12 VAL 14 2HG1 VAL 14 7.829 3.166 10.163 99 HG13 VAL 14 3HG1 VAL 14 7.212 1.707 9.392 100 HG21 VAL 14 3HG2 VAL 14 6.530 3.442 6.605 101 HG22 VAL 14 1HG2 VAL 14 6.812 1.754 6.987 102 HG23 VAL 14 2HG2 VAL 14 7.935 2.623 5.942 103 H PHE 15 H PHE 15 7.609 5.269 5.677 104 HA PHE 15 HA PHE 15 10.002 4.947 4.194 105 HB2 PHE 15 2HB PHE 15 7.828 5.072 3.084 106 HB3 PHE 15 1HB PHE 15 7.624 6.739 3.630 107 HD1 PHE 15 1HD PHE 15 9.939 4.543 1.664 108 HD2 PHE 15 2HD PHE 15 8.488 8.515 2.399 109 HE1 PHE 15 1HE PHE 15 11.251 5.392 -0.258 110 HE2 PHE 15 2HE PHE 15 9.791 9.354 0.469 111 HZ PHE 15 HZ PHE 15 11.176 7.789 -0.863 112 H HIS 16 H HIS 16 8.471 7.781 5.643 113 HA HIS 16 HA HIS 16 10.521 9.603 4.939 114 HB2 HIS 16 2HB HIS 16 8.232 10.315 5.626 115 HB3 HIS 16 1HB HIS 16 8.586 9.763 7.262 116 HD1 HIS 16 1HD HIS 16 10.136 11.212 8.707 117 HD2 HIS 16 2HD HIS 16 9.705 12.655 4.819 118 HE1 HIS 16 1HE HIS 16 11.165 13.527 8.684 119 HE2 HIS 16 2HE HIS 16 10.911 14.419 6.320 120 H ALA 17 H ALA 17 10.059 7.412 7.632 121 HA ALA 17 HA ALA 17 11.989 8.501 9.327 122 HB1 ALA 17 1HB ALA 17 12.161 6.298 10.315 123 HB2 ALA 17 2HB ALA 17 11.515 5.534 8.857 124 HB3 ALA 17 3HB ALA 17 10.477 6.553 9.868 125 H HIS 18 H HIS 18 12.353 5.965 6.807 126 HA HIS 18 HA HIS 18 15.247 6.151 7.162 127 HB2 HIS 18 2HB HIS 18 13.500 4.466 5.420 128 HB3 HIS 18 1HB HIS 18 15.247 4.518 5.178 129 HD1 HIS 18 1HD HIS 18 16.629 3.094 6.715 130 HD2 HIS 18 2HD HIS 18 12.828 3.792 8.269 131 HE1 HIS 18 1HE HIS 18 16.499 1.831 8.906 132 HE2 HIS 18 2HE HIS 18 14.189 2.241 9.861 133 H SER 19 H SER 19 13.111 6.999 4.346 134 HA SER 19 HA SER 19 15.235 7.913 2.766 135 HB2 SER 19 2HB SER 19 12.921 7.649 1.901 136 HB3 SER 19 1HB SER 19 12.450 9.088 2.795 137 HG SER 19 HG SER 19 14.530 8.970 0.835 138 H GLY 20 H GLY 20 13.281 9.507 5.234 139 HA2 GLY 20 2HA GLY 20 14.434 12.106 5.048 140 HA3 GLY 20 1HA GLY 20 13.484 11.493 6.366 141 H LYS 21 H LYS 21 15.043 9.337 7.187 142 HA LYS 21 HA LYS 21 16.920 10.624 8.848 143 HB2 LYS 21 2HB LYS 21 15.932 8.460 9.371 144 HB3 LYS 21 1HB LYS 21 16.827 7.709 8.053 145 HG2 LYS 21 2HG LYS 21 18.935 8.357 9.191 146 HG3 LYS 21 1HG LYS 21 17.989 9.071 10.496 147 HD2 LYS 21 2HD LYS 21 18.615 6.815 11.146 148 HD3 LYS 21 1HD LYS 21 16.883 6.857 10.849 149 HE2 LYS 21 2HE LYS 21 18.514 6.229 8.461 150 HE3 LYS 21 1HE LYS 21 18.594 5.020 9.745 151 HZ1 LYS 21 3HZ LYS 21 16.454 4.460 9.475 152 HZ2 LYS 21 1HZ LYS 21 16.651 5.128 7.928 153 HZ3 LYS 21 2HZ LYS 21 15.950 6.054 9.169 154 H GLU 22 H GLU 22 17.471 8.849 5.777 155 HA GLU 22 HA GLU 22 20.171 10.076 5.744 156 HB2 GLU 22 2HB GLU 22 19.464 7.271 4.935 157 HB3 GLU 22 1HB GLU 22 21.013 8.039 4.590 158 HG2 GLU 22 2HG GLU 22 21.321 8.426 7.023 159 HG3 GLU 22 1HG GLU 22 19.813 7.581 7.317 160 H GLY 23 H GLY 23 21.072 10.576 3.730 161 HA2 GLY 23 2HA GLY 23 21.063 11.384 1.582 162 HA3 GLY 23 1HA GLY 23 20.034 10.009 1.213 163 H ASP 24 H ASP 24 18.775 11.121 -0.265 164 HA ASP 24 HA ASP 24 17.485 13.604 0.337 165 HB2 ASP 24 2HB ASP 24 16.939 11.520 -1.780 166 HB3 ASP 24 1HB ASP 24 16.117 13.073 -1.693 167 H LYS 25 H LYS 25 15.493 13.985 1.136 168 HA LYS 25 HA LYS 25 14.379 12.127 2.880 169 HB2 LYS 25 2HB LYS 25 13.080 14.599 1.743 170 HB3 LYS 25 1HB LYS 25 12.549 13.714 3.182 171 HG2 LYS 25 2HG LYS 25 14.857 14.117 4.191 172 HG3 LYS 25 1HG LYS 25 15.203 15.187 2.836 173 HD2 LYS 25 2HD LYS 25 12.856 15.528 4.731 174 HD3 LYS 25 1HD LYS 25 14.379 16.404 4.858 175 HE2 LYS 25 2HE LYS 25 13.827 16.946 2.285 176 HE3 LYS 25 1HE LYS 25 12.178 16.708 2.868 177 HZ1 LYS 25 3HZ LYS 25 14.195 18.587 3.965 178 HZ2 LYS 25 1HZ LYS 25 12.679 18.294 4.666 179 HZ3 LYS 25 2HZ LYS 25 12.777 18.993 3.121 180 H TYR 26 H TYR 26 13.531 12.813 -0.448 181 HA TYR 26 HA TYR 26 11.246 10.963 -0.205 182 HB2 TYR 26 2HB TYR 26 11.885 13.011 -2.329 183 HB3 TYR 26 1HB TYR 26 10.463 11.963 -2.315 184 HD1 TYR 26 2HD TYR 26 8.830 12.106 -0.416 185 HD2 TYR 26 1HD TYR 26 12.006 14.950 -0.932 186 HE1 TYR 26 2HE TYR 26 7.683 13.665 1.131 187 HE2 TYR 26 1HE TYR 26 10.858 16.510 0.619 188 HH TYR 26 HH TYR 26 7.631 15.815 1.861 189 H LYS 27 H LYS 27 14.226 10.221 -0.628 190 HA LYS 27 HA LYS 27 13.590 8.365 -2.837 191 HB2 LYS 27 2HB LYS 27 14.997 10.379 -3.696 192 HB3 LYS 27 1HB LYS 27 16.306 9.643 -2.786 193 HG2 LYS 27 2HG LYS 27 16.530 8.744 -4.960 194 HG3 LYS 27 1HG LYS 27 15.725 7.479 -4.029 195 HD2 LYS 27 2HD LYS 27 13.597 7.973 -4.991 196 HD3 LYS 27 1HD LYS 27 14.129 9.508 -5.628 197 HE2 LYS 27 2HE LYS 27 15.773 8.153 -7.046 198 HE3 LYS 27 1HE LYS 27 14.820 6.740 -6.575 199 HZ1 LYS 27 3HZ LYS 27 14.276 8.504 -8.618 200 HZ2 LYS 27 1HZ LYS 27 13.145 8.870 -7.408 201 HZ3 LYS 27 2HZ LYS 27 13.253 7.287 -8.017 202 H LEU 28 H LEU 28 14.338 6.323 -2.471 203 HA LEU 28 HA LEU 28 15.825 5.975 0.058 204 HB2 LEU 28 2HB LEU 28 13.395 5.113 -0.433 205 HB3 LEU 28 1HB LEU 28 14.204 3.880 -1.343 206 HG LEU 28 HG LEU 28 15.446 3.145 0.650 207 HD11 LEU 28 1HD1 LEU 28 14.334 4.079 2.880 208 HD12 LEU 28 2HD1 LEU 28 14.066 5.514 1.904 209 HD13 LEU 28 3HD1 LEU 28 15.703 4.909 2.162 210 HD21 LEU 28 3HD2 LEU 28 12.481 3.383 1.279 211 HD22 LEU 28 1HD2 LEU 28 13.562 2.081 1.757 212 HD23 LEU 28 2HD2 LEU 28 13.104 2.275 0.060 213 H SER 29 H SER 29 17.850 5.152 -0.076 214 HA SER 29 HA SER 29 18.774 4.113 -2.660 215 HB2 SER 29 2HB SER 29 21.016 4.517 -1.833 216 HB3 SER 29 1HB SER 29 20.034 5.958 -1.587 217 HG SER 29 HG SER 29 19.729 5.275 0.566 218 H LYS 30 H LYS 30 20.405 2.275 -2.555 219 HA LYS 30 HA LYS 30 19.204 -0.053 -1.668 220 HB2 LYS 30 2HB LYS 30 21.096 0.069 -3.273 221 HB3 LYS 30 1HB LYS 30 22.170 0.391 -1.910 222 HG2 LYS 30 2HG LYS 30 21.398 -1.773 -0.870 223 HG3 LYS 30 1HG LYS 30 20.484 -2.092 -2.342 224 HD2 LYS 30 2HD LYS 30 22.599 -3.222 -2.539 225 HD3 LYS 30 1HD LYS 30 22.631 -1.839 -3.636 226 HE2 LYS 30 2HE LYS 30 24.228 -0.741 -2.412 227 HE3 LYS 30 1HE LYS 30 23.586 -1.296 -0.859 228 HZ1 LYS 30 3HZ LYS 30 24.787 -3.206 -0.947 229 HZ2 LYS 30 1HZ LYS 30 25.836 -2.211 -1.834 230 HZ3 LYS 30 2HZ LYS 30 24.794 -3.282 -2.645 231 H LYS 31 H LYS 31 21.852 1.723 -0.111 232 HA LYS 31 HA LYS 31 22.192 -0.052 2.017 233 HB2 LYS 31 2HB LYS 31 23.399 1.744 3.093 234 HB3 LYS 31 1HB LYS 31 23.735 1.819 1.362 235 HG2 LYS 31 2HG LYS 31 21.888 3.515 1.153 236 HG3 LYS 31 1HG LYS 31 21.776 3.522 2.912 237 HD2 LYS 31 2HD LYS 31 24.165 4.052 2.998 238 HD3 LYS 31 1HD LYS 31 24.155 4.318 1.262 239 HE2 LYS 31 2HE LYS 31 22.368 5.749 3.256 240 HE3 LYS 31 1HE LYS 31 23.845 6.430 2.573 241 HZ1 LYS 31 3HZ LYS 31 21.329 5.737 1.188 242 HZ2 LYS 31 1HZ LYS 31 22.783 5.926 0.337 243 HZ3 LYS 31 2HZ LYS 31 22.143 7.228 1.222 244 H GLU 32 H GLU 32 20.296 2.942 1.769 245 HA GLU 32 HA GLU 32 19.234 2.903 4.370 246 HB2 GLU 32 2HB GLU 32 17.999 4.010 1.835 247 HB3 GLU 32 1HB GLU 32 17.461 4.377 3.475 248 HG2 GLU 32 2HG GLU 32 19.722 5.269 3.988 249 HG3 GLU 32 1HG GLU 32 20.188 4.988 2.322 250 H LEU 33 H LEU 33 17.668 1.669 1.327 251 HA LEU 33 HA LEU 33 15.367 0.814 2.711 252 HB2 LEU 33 2HB LEU 33 14.909 -0.713 0.800 253 HB3 LEU 33 1HB LEU 33 15.154 0.957 0.367 254 HG LEU 33 HG LEU 33 17.708 0.037 0.117 255 HD11 LEU 33 1HD1 LEU 33 17.693 -2.116 -0.991 256 HD12 LEU 33 2HD1 LEU 33 15.937 -2.183 -0.972 257 HD13 LEU 33 3HD1 LEU 33 16.845 -2.326 0.537 258 HD21 LEU 33 3HD2 LEU 33 16.893 -0.242 -2.418 259 HD22 LEU 33 1HD2 LEU 33 16.884 1.346 -1.639 260 HD23 LEU 33 2HD2 LEU 33 15.395 0.414 -1.775 261 H LYS 34 H LYS 34 18.464 -0.750 2.141 262 HA LYS 34 HA LYS 34 17.701 -3.302 3.003 263 HB2 LYS 34 2HB LYS 34 19.969 -2.717 2.106 264 HB3 LYS 34 1HB LYS 34 20.311 -1.882 3.620 265 HG2 LYS 34 2HG LYS 34 21.265 -4.026 3.925 266 HG3 LYS 34 1HG LYS 34 19.719 -4.127 4.768 267 HD2 LYS 34 2HD LYS 34 18.700 -5.251 2.854 268 HD3 LYS 34 1HD LYS 34 20.167 -5.029 1.914 269 HE2 LYS 34 2HE LYS 34 20.736 -7.105 2.649 270 HE3 LYS 34 1HE LYS 34 21.092 -6.322 4.190 271 HZ1 LYS 34 3HZ LYS 34 18.566 -6.618 4.573 272 HZ2 LYS 34 1HZ LYS 34 19.601 -7.943 4.794 273 HZ3 LYS 34 2HZ LYS 34 18.689 -7.808 3.367 274 H GLU 35 H GLU 35 18.429 -0.306 4.764 275 HA GLU 35 HA GLU 35 18.347 -1.576 7.347 276 HB2 GLU 35 2HB GLU 35 18.221 1.324 6.517 277 HB3 GLU 35 1HB GLU 35 18.327 0.763 8.185 278 HG2 GLU 35 2HG GLU 35 20.425 -0.434 7.640 279 HG3 GLU 35 1HG GLU 35 20.339 0.193 5.996 280 H LEU 36 H LEU 36 15.978 0.295 5.419 281 HA LEU 36 HA LEU 36 14.057 0.523 7.488 282 HB2 LEU 36 2HB LEU 36 14.172 1.749 5.213 283 HB3 LEU 36 1HB LEU 36 13.349 0.339 4.561 284 HG LEU 36 HG LEU 36 12.295 2.082 6.839 285 HD11 LEU 36 1HD1 LEU 36 11.149 3.312 5.329 286 HD12 LEU 36 2HD1 LEU 36 10.818 1.933 4.286 287 HD13 LEU 36 3HD1 LEU 36 12.368 2.758 4.182 288 HD21 LEU 36 3HD2 LEU 36 11.254 0.059 7.229 289 HD22 LEU 36 1HD2 LEU 36 11.337 -0.448 5.547 290 HD23 LEU 36 2HD2 LEU 36 10.150 0.746 6.053 291 H LEU 37 H LEU 37 14.399 -1.953 4.872 292 HA LEU 37 HA LEU 37 12.046 -3.355 5.644 293 HB2 LEU 37 2HB LEU 37 14.481 -4.231 4.101 294 HB3 LEU 37 1HB LEU 37 13.168 -5.339 4.471 295 HG LEU 37 HG LEU 37 13.117 -4.105 2.193 296 HD11 LEU 37 1HD1 LEU 37 10.645 -3.797 3.911 297 HD12 LEU 37 2HD1 LEU 37 11.204 -5.358 3.311 298 HD13 LEU 37 3HD1 LEU 37 10.724 -4.098 2.176 299 HD21 LEU 37 3HD2 LEU 37 11.961 -1.906 3.897 300 HD22 LEU 37 1HD2 LEU 37 12.251 -1.885 2.163 301 HD23 LEU 37 2HD2 LEU 37 13.605 -1.875 3.282 302 H GLN 38 H GLN 38 15.462 -3.831 6.543 303 HA GLN 38 HA GLN 38 14.997 -6.128 8.123 304 HB2 GLN 38 2HB GLN 38 17.195 -4.060 8.241 305 HB3 GLN 38 1HB GLN 38 17.193 -5.554 9.178 306 HG2 GLN 38 2HG GLN 38 17.011 -6.852 7.067 307 HG3 GLN 38 1HG GLN 38 17.104 -5.353 6.146 308 HE21 GLN 38 1HE2 GLN 38 19.020 -4.813 8.800 309 HE22 GLN 38 2HE2 GLN 38 20.516 -5.322 8.178 310 H THR 39 H THR 39 14.939 -2.676 8.902 311 HA THR 39 HA THR 39 14.621 -3.089 11.715 312 HB THR 39 HB THR 39 14.085 -0.706 11.801 313 HG1 THR 39 1HG THR 39 13.654 -1.169 9.101 314 HG21 THR 39 3HG2 THR 39 16.432 -1.775 10.339 315 HG22 THR 39 1HG2 THR 39 16.364 -0.732 11.759 316 HG23 THR 39 2HG2 THR 39 16.148 -0.046 10.151 317 H GLU 40 H GLU 40 12.387 -2.780 9.006 318 HA GLU 40 HA GLU 40 10.123 -2.818 10.881 319 HB2 GLU 40 2HB GLU 40 10.323 -2.194 7.942 320 HB3 GLU 40 1HB GLU 40 8.798 -2.347 8.791 321 HG2 GLU 40 2HG GLU 40 11.001 -0.379 9.451 322 HG3 GLU 40 1HG GLU 40 9.461 0.009 8.687 323 H LEU 41 H LEU 41 10.894 -4.455 7.769 324 HA LEU 41 HA LEU 41 9.125 -6.643 8.634 325 HB2 LEU 41 2HB LEU 41 10.378 -6.199 5.920 326 HB3 LEU 41 1HB LEU 41 9.132 -7.373 6.324 327 HG LEU 41 HG LEU 41 8.848 -4.351 6.402 328 HD11 LEU 41 1HD1 LEU 41 7.258 -6.294 4.745 329 HD12 LEU 41 2HD1 LEU 41 8.835 -5.741 4.190 330 HD13 LEU 41 3HD1 LEU 41 7.540 -4.576 4.466 331 HD21 LEU 41 3HD2 LEU 41 7.046 -6.591 7.331 332 HD22 LEU 41 1HD2 LEU 41 6.348 -5.101 6.704 333 HD23 LEU 41 2HD2 LEU 41 7.390 -5.046 8.120 334 H SER 42 H SER 42 9.754 -8.730 8.846 335 HA SER 42 HA SER 42 12.683 -9.168 8.882 336 HB2 SER 42 2HB SER 42 10.456 -10.500 10.428 337 HB3 SER 42 1HB SER 42 12.130 -11.049 10.444 338 HG SER 42 HG SER 42 12.172 -8.451 10.849 339 H GLY 43 H GLY 43 9.999 -11.451 8.818 340 HA2 GLY 43 2HA GLY 43 11.249 -13.374 7.264 341 HA3 GLY 43 1HA GLY 43 9.517 -13.238 7.482 342 H PHE 44 H PHE 44 9.223 -10.653 6.121 343 HA PHE 44 HA PHE 44 8.821 -11.624 3.515 344 HB2 PHE 44 2HB PHE 44 9.026 -8.793 4.543 345 HB3 PHE 44 1HB PHE 44 8.512 -9.206 2.908 346 HD1 PHE 44 1HD PHE 44 6.414 -10.479 2.534 347 HD2 PHE 44 2HD PHE 44 7.606 -9.184 6.452 348 HE1 PHE 44 1HE PHE 44 4.117 -10.897 3.372 349 HE2 PHE 44 2HE PHE 44 5.310 -9.601 7.290 350 HZ PHE 44 HZ PHE 44 3.566 -10.458 5.750 351 H LEU 45 H LEU 45 11.278 -9.215 4.548 352 HA LEU 45 HA LEU 45 12.599 -9.299 2.013 353 HB2 LEU 45 2HB LEU 45 12.564 -7.469 3.922 354 HB3 LEU 45 1HB LEU 45 13.950 -8.368 4.523 355 HG LEU 45 HG LEU 45 14.807 -6.616 3.110 356 HD11 LEU 45 1HD1 LEU 45 15.683 -9.038 2.822 357 HD12 LEU 45 2HD1 LEU 45 16.104 -7.861 1.577 358 HD13 LEU 45 3HD1 LEU 45 14.810 -9.023 1.287 359 HD21 LEU 45 3HD2 LEU 45 13.894 -5.943 1.106 360 HD22 LEU 45 1HD2 LEU 45 12.436 -6.607 1.841 361 HD23 LEU 45 2HD2 LEU 45 13.351 -7.560 0.672 362 H ASP 46 H ASP 46 13.090 -10.788 5.137 363 HA ASP 46 HA ASP 46 15.557 -12.067 4.674 364 HB2 ASP 46 2HB ASP 46 14.517 -11.710 6.904 365 HB3 ASP 46 1HB ASP 46 13.347 -12.970 6.517 366 H ALA 47 H ALA 47 12.291 -12.973 3.808 367 HA ALA 47 HA ALA 47 12.523 -15.715 3.558 368 HB1 ALA 47 1HB ALA 47 10.374 -14.806 3.291 369 HB2 ALA 47 2HB ALA 47 10.786 -15.414 1.687 370 HB3 ALA 47 3HB ALA 47 10.906 -13.688 2.034 371 H GLN 48 H GLN 48 13.783 -13.245 1.399 372 HA GLN 48 HA GLN 48 14.174 -14.891 -0.865 373 HB2 GLN 48 2HB GLN 48 15.871 -12.561 0.071 374 HB3 GLN 48 1HB GLN 48 15.896 -13.267 -1.545 375 HG2 GLN 48 2HG GLN 48 13.577 -11.818 -0.225 376 HG3 GLN 48 1HG GLN 48 14.502 -11.297 -1.622 377 HE21 GLN 48 1HE2 GLN 48 11.602 -12.674 -0.799 378 HE22 GLN 48 2HE2 GLN 48 11.281 -13.521 -2.239 379 H LYS 49 H LYS 49 16.036 -14.369 2.055 380 HA LYS 49 HA LYS 49 17.752 -15.500 3.040 381 HB2 LYS 49 2HB LYS 49 16.827 -17.684 1.170 382 HB3 LYS 49 1HB LYS 49 17.975 -17.912 2.490 383 HG2 LYS 49 2HG LYS 49 16.259 -17.042 4.081 384 HG3 LYS 49 1HG LYS 49 15.110 -16.957 2.748 385 HD2 LYS 49 2HD LYS 49 15.446 -19.403 2.356 386 HD3 LYS 49 1HD LYS 49 16.479 -19.454 3.786 387 HE2 LYS 49 2HE LYS 49 14.547 -18.512 5.110 388 HE3 LYS 49 1HE LYS 49 13.539 -18.729 3.680 389 HZ1 LYS 49 3HZ LYS 49 13.245 -20.816 4.310 390 HZ2 LYS 49 1HZ LYS 49 14.346 -20.649 5.590 391 HZ3 LYS 49 2HZ LYS 49 14.897 -21.109 4.051 392 H ASP 50 H ASP 50 18.523 -13.793 0.865 393 HA ASP 50 HA ASP 50 21.064 -15.118 0.205 394 HB2 ASP 50 2HB ASP 50 19.292 -13.752 -1.834 395 HB3 ASP 50 1HB ASP 50 20.974 -14.177 -2.114 396 H VAL 51 H VAL 51 22.807 -13.673 -0.090 397 HA VAL 51 HA VAL 51 22.551 -11.208 1.358 398 HB VAL 51 HB VAL 51 24.902 -10.918 1.033 399 HG11 VAL 51 1HG1 VAL 51 23.906 -12.985 2.369 400 HG12 VAL 51 2HG1 VAL 51 25.646 -12.783 2.168 401 HG13 VAL 51 3HG1 VAL 51 24.765 -13.904 1.131 402 HG21 VAL 51 3HG2 VAL 51 24.648 -13.019 -1.146 403 HG22 VAL 51 1HG2 VAL 51 26.179 -12.415 -0.520 404 HG23 VAL 51 2HG2 VAL 51 25.077 -11.324 -1.354 405 H ASP 52 H ASP 52 22.637 -12.120 -2.013 406 HA ASP 52 HA ASP 52 22.849 -9.364 -2.935 407 HB2 ASP 52 2HB ASP 52 22.493 -11.984 -4.404 408 HB3 ASP 52 1HB ASP 52 22.608 -10.415 -5.199 409 H ALA 53 H ALA 53 20.435 -11.066 -1.579 410 HA ALA 53 HA ALA 53 18.256 -10.858 -3.321 411 HB1 ALA 53 1HB ALA 53 16.930 -10.623 -1.108 412 HB2 ALA 53 2HB ALA 53 18.494 -10.839 -0.323 413 HB3 ALA 53 3HB ALA 53 17.855 -12.097 -1.376 414 H VAL 54 H VAL 54 19.671 -8.463 -1.115 415 HA VAL 54 HA VAL 54 17.641 -6.527 -1.343 416 HB VAL 54 HB VAL 54 19.584 -6.474 0.262 417 HG11 VAL 54 1HG1 VAL 54 21.246 -6.963 -1.655 418 HG12 VAL 54 2HG1 VAL 54 21.725 -5.743 -0.476 419 HG13 VAL 54 3HG1 VAL 54 21.101 -5.252 -2.051 420 HG21 VAL 54 3HG2 VAL 54 18.790 -4.145 -1.471 421 HG22 VAL 54 1HG2 VAL 54 19.983 -3.921 -0.195 422 HG23 VAL 54 2HG2 VAL 54 18.355 -4.474 0.206 423 H ASP 55 H ASP 55 20.561 -7.105 -3.278 424 HA ASP 55 HA ASP 55 20.235 -4.910 -5.019 425 HB2 ASP 55 2HB ASP 55 21.564 -7.589 -5.385 426 HB3 ASP 55 1HB ASP 55 21.687 -6.277 -6.556 427 H LYS 56 H LYS 56 19.148 -8.291 -5.201 428 HA LYS 56 HA LYS 56 17.972 -8.120 -7.762 429 HB2 LYS 56 2HB LYS 56 17.277 -9.879 -5.401 430 HB3 LYS 56 1HB LYS 56 16.650 -10.104 -7.034 431 HG2 LYS 56 2HG LYS 56 18.996 -10.290 -7.868 432 HG3 LYS 56 1HG LYS 56 19.563 -10.194 -6.201 433 HD2 LYS 56 2HD LYS 56 18.175 -12.198 -5.656 434 HD3 LYS 56 1HD LYS 56 17.751 -12.328 -7.363 435 HE2 LYS 56 2HE LYS 56 20.082 -12.653 -7.970 436 HE3 LYS 56 1HE LYS 56 20.592 -12.364 -6.307 437 HZ1 LYS 56 3HZ LYS 56 19.906 -14.394 -5.642 438 HZ2 LYS 56 1HZ LYS 56 20.180 -14.783 -7.270 439 HZ3 LYS 56 2HZ LYS 56 18.604 -14.451 -6.731 440 H VAL 57 H VAL 57 16.700 -7.474 -4.528 441 HA VAL 57 HA VAL 57 14.016 -7.083 -5.319 442 HB VAL 57 HB VAL 57 15.562 -6.123 -2.903 443 HG11 VAL 57 1HG1 VAL 57 13.774 -4.571 -3.087 444 HG12 VAL 57 2HG1 VAL 57 13.161 -5.818 -2.001 445 HG13 VAL 57 3HG1 VAL 57 12.662 -5.798 -3.693 446 HG21 VAL 57 3HG2 VAL 57 14.565 -7.968 -1.804 447 HG22 VAL 57 1HG2 VAL 57 15.048 -8.616 -3.372 448 HG23 VAL 57 2HG2 VAL 57 13.364 -8.187 -3.078 449 H MET 58 H MET 58 16.693 -4.752 -4.877 450 HA MET 58 HA MET 58 15.021 -2.524 -5.426 451 HB2 MET 58 2HB MET 58 16.827 -1.173 -5.093 452 HB3 MET 58 1HB MET 58 17.320 -2.606 -4.210 453 HG2 MET 58 2HG MET 58 19.229 -2.495 -5.430 454 HG3 MET 58 1HG MET 58 18.283 -3.097 -6.778 455 HE1 MET 58 3HE MET 58 18.633 1.122 -5.405 456 HE2 MET 58 1HE MET 58 20.263 0.490 -5.674 457 HE3 MET 58 2HE MET 58 19.145 -0.365 -4.615 458 H LYS 59 H LYS 59 16.917 -4.561 -7.637 459 HA LYS 59 HA LYS 59 16.977 -2.767 -9.802 460 HB2 LYS 59 2HB LYS 59 16.856 -5.762 -9.852 461 HB3 LYS 59 1HB LYS 59 17.193 -4.727 -11.241 462 HG2 LYS 59 2HG LYS 59 18.935 -3.736 -9.287 463 HG3 LYS 59 1HG LYS 59 18.948 -5.474 -9.000 464 HD2 LYS 59 2HD LYS 59 19.325 -4.195 -11.683 465 HD3 LYS 59 1HD LYS 59 20.662 -4.718 -10.652 466 HE2 LYS 59 2HE LYS 59 18.479 -6.508 -11.780 467 HE3 LYS 59 1HE LYS 59 20.164 -6.473 -12.298 468 HZ1 LYS 59 3HZ LYS 59 20.350 -6.805 -9.621 469 HZ2 LYS 59 1HZ LYS 59 20.461 -8.047 -10.771 470 HZ3 LYS 59 2HZ LYS 59 18.978 -7.730 -10.004 471 H GLU 60 H GLU 60 14.394 -5.094 -8.903 472 HA GLU 60 HA GLU 60 12.879 -4.502 -11.265 473 HB2 GLU 60 2HB GLU 60 11.166 -5.867 -10.359 474 HB3 GLU 60 1HB GLU 60 12.681 -6.608 -9.852 475 HG2 GLU 60 2HG GLU 60 12.484 -5.405 -7.671 476 HG3 GLU 60 1HG GLU 60 10.905 -4.810 -8.176 477 H LEU 61 H LEU 61 12.937 -3.277 -7.975 478 HA LEU 61 HA LEU 61 10.599 -1.683 -8.183 479 HB2 LEU 61 2HB LEU 61 12.981 -1.355 -6.358 480 HB3 LEU 61 1HB LEU 61 11.437 -0.537 -6.170 481 HG LEU 61 HG LEU 61 11.849 -3.540 -6.085 482 HD11 LEU 61 1HD1 LEU 61 10.919 -1.821 -3.800 483 HD12 LEU 61 2HD1 LEU 61 12.645 -1.937 -4.146 484 HD13 LEU 61 3HD1 LEU 61 11.727 -3.388 -3.755 485 HD21 LEU 61 3HD2 LEU 61 9.627 -3.343 -6.788 486 HD22 LEU 61 1HD2 LEU 61 9.422 -1.765 -6.020 487 HD23 LEU 61 2HD2 LEU 61 9.430 -3.226 -5.052 488 H ASP 62 H ASP 62 13.964 -1.080 -8.993 489 HA ASP 62 HA ASP 62 13.577 1.736 -9.228 490 HB2 ASP 62 2HB ASP 62 15.799 0.647 -8.913 491 HB3 ASP 62 1HB ASP 62 15.691 0.046 -10.568 492 H GLU 63 H GLU 63 11.704 1.954 -10.452 493 HA GLU 63 HA GLU 63 11.288 0.971 -13.075 494 HB2 GLU 63 2HB GLU 63 9.490 1.912 -11.747 495 HB3 GLU 63 1HB GLU 63 10.347 3.453 -11.622 496 HG2 GLU 63 2HG GLU 63 10.215 3.755 -14.033 497 HG3 GLU 63 1HG GLU 63 9.334 2.215 -14.202 498 H ASN 64 H ASN 64 12.496 3.939 -11.790 499 HA ASN 64 HA ASN 64 12.991 5.391 -14.101 500 HB2 ASN 64 2HB ASN 64 14.289 5.277 -11.431 501 HB3 ASN 64 1HB ASN 64 14.519 6.620 -12.547 502 HD21 ASN 64 1HD2 ASN 64 11.918 7.086 -13.431 503 HD22 ASN 64 2HD2 ASN 64 10.904 7.439 -12.116 504 H GLY 65 H GLY 65 14.940 3.012 -12.375 505 HA2 GLY 65 2HA GLY 65 16.743 1.751 -13.152 506 HA3 GLY 65 1HA GLY 65 16.690 2.660 -14.667 507 H ASP 66 H ASP 66 16.527 4.491 -11.802 508 HA ASP 66 HA ASP 66 19.087 5.727 -12.376 509 HB2 ASP 66 2HB ASP 66 18.357 7.397 -10.720 510 HB3 ASP 66 1HB ASP 66 17.117 7.112 -11.939 511 H GLY 67 H GLY 67 18.336 3.070 -10.631 512 HA2 GLY 67 2HA GLY 67 19.753 1.842 -9.244 513 HA3 GLY 67 1HA GLY 67 20.777 3.266 -9.078 514 H GLU 68 H GLU 68 17.697 4.270 -8.555 515 HA GLU 68 HA GLU 68 17.870 3.848 -5.628 516 HB2 GLU 68 2HB GLU 68 16.914 6.258 -7.143 517 HB3 GLU 68 1HB GLU 68 16.658 6.023 -5.424 518 HG2 GLU 68 2HG GLU 68 18.564 7.349 -5.483 519 HG3 GLU 68 1HG GLU 68 19.238 5.722 -5.332 520 H VAL 69 H VAL 69 15.935 3.843 -4.463 521 HA VAL 69 HA VAL 69 13.608 2.906 -6.008 522 HB VAL 69 HB VAL 69 14.248 2.526 -3.074 523 HG11 VAL 69 1HG1 VAL 69 11.838 2.538 -3.576 524 HG12 VAL 69 2HG1 VAL 69 12.384 0.922 -3.130 525 HG13 VAL 69 3HG1 VAL 69 12.097 1.317 -4.824 526 HG21 VAL 69 3HG2 VAL 69 15.797 1.193 -4.265 527 HG22 VAL 69 1HG2 VAL 69 14.596 0.742 -5.477 528 HG23 VAL 69 2HG2 VAL 69 14.484 0.098 -3.839 529 H ASP 70 H ASP 70 11.809 4.184 -5.974 530 HA ASP 70 HA ASP 70 11.966 6.621 -4.337 531 HB2 ASP 70 2HB ASP 70 11.742 6.835 -6.818 532 HB3 ASP 70 1HB ASP 70 10.159 6.109 -6.683 533 H PHE 71 H PHE 71 10.028 7.493 -3.419 534 HA PHE 71 HA PHE 71 8.815 5.863 -1.560 535 HB2 PHE 71 2HB PHE 71 8.865 8.426 -1.808 536 HB3 PHE 71 1HB PHE 71 7.482 8.240 -2.868 537 HD1 PHE 71 1HD PHE 71 6.729 5.683 -0.728 538 HD2 PHE 71 2HD PHE 71 7.233 9.945 -0.619 539 HE1 PHE 71 1HE PHE 71 5.207 5.815 1.223 540 HE2 PHE 71 2HE PHE 71 5.729 10.058 1.334 541 HZ PHE 71 HZ PHE 71 4.722 8.001 2.246 542 H GLN 72 H GLN 72 7.629 6.757 -4.821 543 HA GLN 72 HA GLN 72 5.155 5.375 -4.630 544 HB2 GLN 72 2HB GLN 72 6.873 6.027 -7.043 545 HB3 GLN 72 1HB GLN 72 5.218 5.423 -7.128 546 HG2 GLN 72 2HG GLN 72 4.423 7.369 -5.875 547 HG3 GLN 72 1HG GLN 72 6.059 7.975 -5.717 548 HE21 GLN 72 1HE2 GLN 72 4.092 9.557 -6.950 549 HE22 GLN 72 2HE2 GLN 72 4.436 9.677 -8.603 550 H GLU 73 H GLU 73 8.387 4.339 -5.725 551 HA GLU 73 HA GLU 73 7.638 1.771 -6.650 552 HB2 GLU 73 2HB GLU 73 10.262 2.758 -5.513 553 HB3 GLU 73 1HB GLU 73 10.055 1.255 -6.407 554 HG2 GLU 73 2HG GLU 73 9.242 2.581 -8.366 555 HG3 GLU 73 1HG GLU 73 9.569 4.061 -7.467 556 H TYR 74 H TYR 74 8.756 3.005 -3.562 557 HA TYR 74 HA TYR 74 8.906 0.596 -2.086 558 HB2 TYR 74 2HB TYR 74 9.914 2.783 -1.446 559 HB3 TYR 74 1HB TYR 74 8.299 3.409 -1.134 560 HD1 TYR 74 2HD TYR 74 6.980 2.605 0.773 561 HD2 TYR 74 1HD TYR 74 10.945 1.147 0.007 562 HE1 TYR 74 2HE TYR 74 7.071 1.644 3.059 563 HE2 TYR 74 1HE TYR 74 11.035 0.199 2.291 564 HH TYR 74 HH TYR 74 9.945 -0.161 4.163 565 H VAL 75 H VAL 75 6.415 2.951 -2.648 566 HA VAL 75 HA VAL 75 4.473 1.992 -0.862 567 HB VAL 75 HB VAL 75 4.639 4.144 -2.719 568 HG11 VAL 75 1HG1 VAL 75 2.283 2.386 -3.360 569 HG12 VAL 75 2HG1 VAL 75 3.492 2.995 -4.468 570 HG13 VAL 75 3HG1 VAL 75 2.345 4.099 -3.722 571 HG21 VAL 75 3HG2 VAL 75 2.460 4.824 -1.626 572 HG22 VAL 75 1HG2 VAL 75 3.802 4.491 -0.530 573 HG23 VAL 75 2HG2 VAL 75 2.517 3.296 -0.750 574 H VAL 76 H VAL 76 4.954 1.283 -4.349 575 HA VAL 76 HA VAL 76 2.778 -0.578 -4.317 576 HB VAL 76 HB VAL 76 3.543 -1.361 -6.470 577 HG11 VAL 76 1HG1 VAL 76 4.139 1.594 -6.456 578 HG12 VAL 76 2HG1 VAL 76 2.517 1.003 -6.090 579 HG13 VAL 76 3HG1 VAL 76 3.254 0.653 -7.655 580 HG21 VAL 76 3HG2 VAL 76 6.006 -1.376 -5.824 581 HG22 VAL 76 1HG2 VAL 76 5.993 0.358 -6.112 582 HG23 VAL 76 2HG2 VAL 76 5.652 -0.747 -7.432 583 H LEU 77 H LEU 77 6.255 -0.835 -3.574 584 HA LEU 77 HA LEU 77 6.418 -3.640 -3.529 585 HB2 LEU 77 2HB LEU 77 8.412 -2.324 -3.238 586 HB3 LEU 77 1HB LEU 77 7.777 -1.584 -1.780 587 HG LEU 77 HG LEU 77 7.778 -3.844 -0.682 588 HD11 LEU 77 1HD1 LEU 77 9.249 -4.691 -3.188 589 HD12 LEU 77 2HD1 LEU 77 7.685 -5.288 -2.657 590 HD13 LEU 77 3HD1 LEU 77 9.128 -5.639 -1.716 591 HD21 LEU 77 3HD2 LEU 77 10.324 -2.657 -1.760 592 HD22 LEU 77 1HD2 LEU 77 10.329 -3.989 -0.602 593 HD23 LEU 77 2HD2 LEU 77 9.596 -2.443 -0.167 594 H VAL 78 H VAL 78 5.547 -1.467 -0.787 595 HA VAL 78 HA VAL 78 5.028 -3.722 0.896 596 HB VAL 78 HB VAL 78 3.997 -2.180 2.492 597 HG11 VAL 78 1HG1 VAL 78 6.090 -0.517 2.460 598 HG12 VAL 78 2HG1 VAL 78 6.671 -1.689 1.271 599 HG13 VAL 78 3HG1 VAL 78 6.238 -2.217 2.901 600 HG21 VAL 78 3HG2 VAL 78 3.739 0.160 2.070 601 HG22 VAL 78 1HG2 VAL 78 2.958 -0.667 0.729 602 HG23 VAL 78 2HG2 VAL 78 4.554 0.053 0.515 603 H ALA 79 H ALA 79 2.981 -1.780 -1.229 604 HA ALA 79 HA ALA 79 0.531 -2.860 -0.191 605 HB1 ALA 79 1HB ALA 79 1.054 -0.832 -1.839 606 HB2 ALA 79 2HB ALA 79 -0.507 -1.631 -1.799 607 HB3 ALA 79 3HB ALA 79 0.672 -2.050 -3.049 608 H ALA 80 H ALA 80 2.518 -3.740 -3.006 609 HA ALA 80 HA ALA 80 0.897 -5.887 -3.867 610 HB1 ALA 80 1HB ALA 80 3.024 -6.636 -5.030 611 HB2 ALA 80 2HB ALA 80 3.826 -5.260 -4.272 612 HB3 ALA 80 3HB ALA 80 2.491 -4.993 -5.398 613 H LEU 81 H LEU 81 3.632 -5.646 -1.597 614 HA LEU 81 HA LEU 81 3.737 -8.458 -1.111 615 HB2 LEU 81 2HB LEU 81 4.879 -6.052 0.215 616 HB3 LEU 81 1HB LEU 81 4.727 -7.510 1.191 617 HG LEU 81 HG LEU 81 6.106 -8.774 -0.287 618 HD11 LEU 81 1HD1 LEU 81 7.073 -7.441 -2.366 619 HD12 LEU 81 2HD1 LEU 81 5.547 -6.578 -2.241 620 HD13 LEU 81 3HD1 LEU 81 5.555 -8.319 -2.486 621 HD21 LEU 81 3HD2 LEU 81 7.229 -7.040 1.193 622 HD22 LEU 81 1HD2 LEU 81 7.386 -6.035 -0.246 623 HD23 LEU 81 2HD2 LEU 81 8.189 -7.601 -0.175 624 H THR 82 H THR 82 1.772 -5.825 0.200 625 HA THR 82 HA THR 82 0.733 -7.255 2.420 626 HB THR 82 HB THR 82 -0.686 -5.172 0.744 627 HG1 THR 82 1HG THR 82 0.384 -3.685 1.895 628 HG21 THR 82 3HG2 THR 82 -0.972 -5.381 3.697 629 HG22 THR 82 1HG2 THR 82 -1.762 -6.627 2.732 630 HG23 THR 82 2HG2 THR 82 -2.165 -4.931 2.479 631 H VAL 83 H VAL 83 -0.593 -6.842 -0.893 632 HA VAL 83 HA VAL 83 -2.792 -8.590 -0.379 633 HB VAL 83 HB VAL 83 -2.839 -7.024 -2.288 634 HG11 VAL 83 1HG1 VAL 83 -1.040 -8.968 -3.745 635 HG12 VAL 83 2HG1 VAL 83 -0.430 -7.507 -2.987 636 HG13 VAL 83 3HG1 VAL 83 -1.593 -7.384 -4.276 637 HG21 VAL 83 3HG2 VAL 83 -3.037 -9.780 -3.467 638 HG22 VAL 83 1HG2 VAL 83 -4.157 -8.422 -3.602 639 HG23 VAL 83 2HG2 VAL 83 -4.077 -9.351 -2.107 640 H ALA 84 H ALA 84 0.462 -9.205 -1.638 641 HA ALA 84 HA ALA 84 0.006 -11.931 -2.287 642 HB1 ALA 84 1HB ALA 84 1.979 -10.444 -2.961 643 HB2 ALA 84 2HB ALA 84 2.353 -12.106 -2.504 644 HB3 ALA 84 3HB ALA 84 2.638 -10.791 -1.362 645 H CYS 85 H CHC 85 0.850 -10.218 0.640 646 HA CYS 85 HA CHC 85 1.607 -12.413 2.236 647 HB2 CYS 85 2HB CHC 85 2.015 -10.048 2.858 648 HB3 CYS 85 1HB CHC 85 0.281 -9.829 3.092 649 H ASN 86 H ASN 86 -1.525 -10.669 2.006 650 HA ASN 86 HA ASN 86 -2.915 -12.450 3.686 651 HB2 ASN 86 2HB ASN 86 -3.786 -10.252 2.746 652 HB3 ASN 86 1HB ASN 86 -4.124 -11.130 1.255 653 HD21 ASN 86 1HD2 ASN 86 -6.201 -11.993 1.164 654 HD22 ASN 86 2HD2 ASN 86 -7.138 -12.417 2.515 655 H ASN 87 H ASN 87 -2.205 -12.560 0.201 656 HA ASN 87 HA ASN 87 -3.718 -14.883 -0.423 657 HB2 ASN 87 2HB ASN 87 -1.131 -13.857 -1.615 658 HB3 ASN 87 1HB ASN 87 -2.133 -15.125 -2.316 659 HD21 ASN 87 1HD2 ASN 87 -1.641 -12.670 -3.713 660 HD22 ASN 87 2HD2 ASN 87 -3.105 -11.818 -3.817 661 H PHE 88 H PHE 88 -0.346 -14.593 0.833 662 HA PHE 88 HA PHE 88 -0.043 -17.425 0.638 663 HB2 PHE 88 2HB PHE 88 1.456 -15.409 2.347 664 HB3 PHE 88 1HB PHE 88 1.855 -17.125 2.290 665 HD1 PHE 88 1HD PHE 88 2.236 -18.155 -0.076 666 HD2 PHE 88 2HD PHE 88 2.398 -13.951 0.767 667 HE1 PHE 88 1HE PHE 88 3.571 -17.793 -2.135 668 HE2 PHE 88 2HE PHE 88 3.716 -13.583 -1.299 669 HZ PHE 88 HZ PHE 88 4.306 -15.505 -2.750 670 H PHE 89 H PHE 89 -1.338 -15.281 3.145 671 HA PHE 89 HA PHE 89 -1.389 -17.204 5.217 672 HB2 PHE 89 2HB PHE 89 -1.736 -14.771 5.552 673 HB3 PHE 89 1HB PHE 89 -3.312 -14.911 4.774 674 HD1 PHE 89 2HD PHE 89 -1.295 -15.921 7.715 675 HD2 PHE 89 1HD PHE 89 -5.192 -15.903 5.908 676 HE1 PHE 89 2HE PHE 89 -2.298 -16.632 9.869 677 HE2 PHE 89 1HE PHE 89 -6.194 -16.614 8.061 678 HZ PHE 89 HZ PHE 89 -4.747 -16.979 10.042 679 H TRP 90 H TRP 90 -4.195 -16.107 3.215 680 HA TRP 90 HA TRP 90 -5.783 -18.354 4.049 681 HB2 TRP 90 2HB TRP 90 -6.837 -16.266 3.271 682 HB3 TRP 90 1HB TRP 90 -6.219 -16.583 1.644 683 HD1 TRP 90 HD TRP 90 -6.969 -18.966 0.540 684 HE1 TRP 90 1HE TRP 90 -9.177 -20.240 0.723 685 HE3 TRP 90 3HE TRP 90 -8.888 -16.744 4.709 686 HZ2 TRP 90 2HZ TRP 90 -11.496 -20.303 2.418 687 HZ3 TRP 90 3HZ TRP 90 -11.103 -17.429 5.587 688 HH2 TRP 90 HH TRP 90 -12.407 -19.204 4.448 689 H GLU 91 H GLU 91 -3.968 -17.575 1.167 690 HA GLU 91 HA GLU 91 -4.470 -20.224 0.027 691 HB2 GLU 91 2HB GLU 91 -3.398 -17.643 -1.102 692 HB3 GLU 91 1HB GLU 91 -3.277 -19.118 -1.976 693 HG2 GLU 91 2HG GLU 91 -5.811 -17.806 -0.967 694 HG3 GLU 91 1HG GLU 91 -5.268 -17.833 -2.638 695 H ASN 92 H ASN 92 -2.759 -21.539 -0.720 696 HA ASN 92 HA ASN 92 -0.729 -22.597 -0.565 697 HB2 ASN 92 2HB ASN 92 0.348 -19.805 -0.115 698 HB3 ASN 92 1HB ASN 92 1.268 -21.214 -0.638 699 HD21 ASN 92 1HD2 ASN 92 -0.532 -22.307 -2.551 700 HD22 ASN 92 2HD2 ASN 92 -0.692 -21.208 -3.834 701 H SER 93 H SER 93 -2.263 -22.611 1.741 702 HA SER 93 HA SER 93 -0.948 -21.743 4.078 703 HB2 SER 93 2HB SER 93 -3.244 -22.406 4.227 704 HB3 SER 93 1HB SER 93 -2.890 -24.003 3.576 705 HG SER 93 HG SER 93 -1.685 -23.025 5.942 706 H1 GLY 1 H GLY 1 7.112 -7.503 13.293 707 HA2 GLY 1 2HA GLY 1 4.704 -7.301 14.321 708 HA3 GLY 1 1HA GLY 1 5.621 -7.359 15.824 709 H SER 2 H SER 2 6.999 -5.859 13.010 710 HA SER 2 HA SER 2 7.377 -3.378 14.365 711 HB2 SER 2 2HB SER 2 8.448 -2.637 12.377 712 HB3 SER 2 1HB SER 2 8.859 -4.341 12.549 713 HG SER 2 HG SER 2 7.389 -4.846 10.986 714 H GLU 3 H GLU 3 6.651 -1.268 13.491 715 HA GLU 3 HA GLU 3 3.846 -1.095 13.435 716 HB2 GLU 3 2HB GLU 3 5.971 0.875 12.570 717 HB3 GLU 3 1HB GLU 3 4.264 1.276 12.724 718 HG2 GLU 3 2HG GLU 3 4.330 0.574 15.094 719 HG3 GLU 3 1HG GLU 3 6.053 0.240 14.933 720 H LEU 4 H LEU 4 6.222 -1.125 10.784 721 HA LEU 4 HA LEU 4 4.437 -0.383 8.713 722 HB2 LEU 4 2HB LEU 4 7.019 -0.694 8.707 723 HB3 LEU 4 1HB LEU 4 6.656 -2.388 8.394 724 HG LEU 4 HG LEU 4 5.541 -0.118 6.727 725 HD11 LEU 4 1HD1 LEU 4 8.124 -0.365 6.733 726 HD12 LEU 4 2HD1 LEU 4 7.278 -0.288 5.191 727 HD13 LEU 4 3HD1 LEU 4 7.828 -1.840 5.811 728 HD21 LEU 4 3HD2 LEU 4 4.258 -1.776 5.954 729 HD22 LEU 4 1HD2 LEU 4 5.259 -3.048 6.645 730 HD23 LEU 4 2HD2 LEU 4 5.690 -2.328 5.101 731 H GLU 5 H GLU 5 5.346 -3.483 10.147 732 HA GLU 5 HA GLU 5 3.846 -5.166 8.439 733 HB2 GLU 5 2HB GLU 5 5.697 -5.712 10.221 734 HB3 GLU 5 1HB GLU 5 4.334 -5.814 11.333 735 HG2 GLU 5 2HG GLU 5 4.447 -7.336 8.716 736 HG3 GLU 5 1HG GLU 5 5.008 -8.005 10.244 737 H THR 6 H THR 6 3.123 -3.516 11.479 738 HA THR 6 HA THR 6 0.578 -4.638 11.935 739 HB THR 6 HB THR 6 1.504 -1.833 12.617 740 HG1 THR 6 1HG THR 6 1.766 -4.296 13.997 741 HG21 THR 6 3HG2 THR 6 -0.911 -2.210 12.888 742 HG22 THR 6 1HG2 THR 6 -0.124 -2.066 14.461 743 HG23 THR 6 2HG2 THR 6 -0.584 -3.655 13.847 744 H ALA 7 H ALA 7 1.695 -1.887 10.036 745 HA ALA 7 HA ALA 7 -0.852 -0.887 9.309 746 HB1 ALA 7 1HB ALA 7 0.299 0.423 7.713 747 HB2 ALA 7 2HB ALA 7 1.591 -0.763 7.550 748 HB3 ALA 7 3HB ALA 7 1.462 0.203 9.019 749 H MET 8 H MET 8 1.341 -3.229 7.747 750 HA MET 8 HA MET 8 -0.219 -3.680 5.423 751 HB2 MET 8 2HB MET 8 1.634 -5.520 6.972 752 HB3 MET 8 1HB MET 8 0.989 -5.891 5.374 753 HG2 MET 8 2HG MET 8 2.034 -3.821 4.488 754 HG3 MET 8 1HG MET 8 2.713 -3.497 6.066 755 HE1 MET 8 3HE MET 8 2.171 -5.760 3.344 756 HE2 MET 8 1HE MET 8 2.966 -7.249 3.861 757 HE3 MET 8 2HE MET 8 3.784 -6.143 2.760 758 H GLU 9 H GLU 9 -0.273 -5.137 8.646 759 HA GLU 9 HA GLU 9 -2.282 -7.065 8.105 760 HB2 GLU 9 2HB GLU 9 -1.444 -5.746 10.695 761 HB3 GLU 9 1HB GLU 9 -2.583 -7.088 10.590 762 HG2 GLU 9 2HG GLU 9 -0.848 -8.449 9.455 763 HG3 GLU 9 1HG GLU 9 0.292 -7.120 9.631 764 H THR 10 H THR 10 -2.354 -3.674 9.104 765 HA THR 10 HA THR 10 -5.111 -3.587 9.724 766 HB THR 10 HB THR 10 -3.395 -1.357 8.627 767 HG1 THR 10 1HG THR 10 -3.985 -1.909 11.327 768 HG21 THR 10 3HG2 THR 10 -5.970 -1.389 10.224 769 HG22 THR 10 1HG2 THR 10 -5.784 -0.851 8.554 770 HG23 THR 10 2HG2 THR 10 -5.034 0.061 9.867 771 H LEU 11 H LEU 11 -3.319 -3.001 6.679 772 HA LEU 11 HA LEU 11 -5.599 -2.247 5.173 773 HB2 LEU 11 2HB LEU 11 -3.177 -3.752 4.148 774 HB3 LEU 11 1HB LEU 11 -4.289 -2.782 3.192 775 HG LEU 11 HG LEU 11 -2.355 -1.792 5.298 776 HD11 LEU 11 1HD1 LEU 11 -2.574 -1.416 2.309 777 HD12 LEU 11 2HD1 LEU 11 -1.281 -2.231 3.190 778 HD13 LEU 11 3HD1 LEU 11 -1.483 -0.486 3.335 779 HD21 LEU 11 3HD2 LEU 11 -3.199 0.496 4.386 780 HD22 LEU 11 1HD2 LEU 11 -4.168 -0.327 5.603 781 HD23 LEU 11 2HD2 LEU 11 -4.633 -0.400 3.899 782 H ILE 12 H ILE 12 -4.074 -5.371 5.843 783 HA ILE 12 HA ILE 12 -5.831 -6.905 4.223 784 HB ILE 12 HB ILE 12 -4.309 -7.689 6.712 785 HG12 ILE 12 2HG1 ILE 12 -3.707 -8.218 3.791 786 HG13 ILE 12 1HG1 ILE 12 -3.007 -6.880 4.685 787 HG21 ILE 12 1HG2 ILE 12 -4.620 -10.013 5.768 788 HG22 ILE 12 2HG2 ILE 12 -5.804 -9.330 4.652 789 HG23 ILE 12 3HG2 ILE 12 -6.095 -9.271 6.391 790 HD11 ILE 12 3HD1 ILE 12 -2.800 -9.751 5.613 791 HD12 ILE 12 1HD1 ILE 12 -1.866 -8.365 6.178 792 HD13 ILE 12 2HD1 ILE 12 -1.597 -9.008 4.557 793 H ASN 13 H ASN 13 -6.012 -6.019 7.655 794 HA ASN 13 HA ASN 13 -8.321 -7.485 8.266 795 HB2 ASN 13 2HB ASN 13 -7.232 -4.946 9.474 796 HB3 ASN 13 1HB ASN 13 -8.535 -5.901 10.180 797 HD21 ASN 13 1HD2 ASN 13 -6.062 -5.528 11.570 798 HD22 ASN 13 2HD2 ASN 13 -5.261 -7.022 11.646 799 H VAL 14 H VAL 14 -8.021 -4.119 7.071 800 HA VAL 14 HA VAL 14 -10.855 -3.720 7.299 801 HB VAL 14 HB VAL 14 -10.569 -1.591 6.202 802 HG11 VAL 14 1HG1 VAL 14 -8.197 -2.083 8.019 803 HG12 VAL 14 2HG1 VAL 14 -9.855 -1.924 8.591 804 HG13 VAL 14 3HG1 VAL 14 -9.067 -0.569 7.785 805 HG21 VAL 14 3HG2 VAL 14 -7.834 -2.642 5.457 806 HG22 VAL 14 1HG2 VAL 14 -8.166 -0.922 5.547 807 HG23 VAL 14 2HG2 VAL 14 -9.054 -1.936 4.409 808 H PHE 15 H PHE 15 -8.715 -4.591 4.567 809 HA PHE 15 HA PHE 15 -10.733 -4.498 2.581 810 HB2 PHE 15 2HB PHE 15 -8.376 -4.735 1.984 811 HB3 PHE 15 1HB PHE 15 -8.314 -6.314 2.773 812 HD1 PHE 15 1HD PHE 15 -10.128 -4.426 0.090 813 HD2 PHE 15 2HD PHE 15 -8.922 -8.249 1.630 814 HE1 PHE 15 1HE PHE 15 -11.013 -5.538 -1.938 815 HE2 PHE 15 2HE PHE 15 -9.797 -9.350 -0.407 816 HZ PHE 15 HZ PHE 15 -10.847 -7.992 -2.195 817 H HIS 16 H HIS 16 -9.586 -7.098 4.679 818 HA HIS 16 HA HIS 16 -11.464 -9.024 3.798 819 HB2 HIS 16 2HB HIS 16 -9.383 -9.609 5.043 820 HB3 HIS 16 1HB HIS 16 -10.070 -8.852 6.481 821 HD1 HIS 16 1HD HIS 16 -11.911 -10.123 7.740 822 HD2 HIS 16 2HD HIS 16 -10.685 -12.054 4.254 823 HE1 HIS 16 1HE HIS 16 -12.944 -12.435 7.800 824 HE2 HIS 16 2HE HIS 16 -12.206 -13.624 5.681 825 H ALA 17 H ALA 17 -11.555 -6.494 6.220 826 HA ALA 17 HA ALA 17 -13.817 -7.380 7.591 827 HB1 ALA 17 1HB ALA 17 -14.163 -5.069 8.224 828 HB2 ALA 17 2HB ALA 17 -13.211 -4.493 6.850 829 HB3 ALA 17 3HB ALA 17 -12.426 -5.357 8.183 830 H HIS 18 H HIS 18 -13.599 -5.199 4.742 831 HA HIS 18 HA HIS 18 -16.505 -5.373 4.493 832 HB2 HIS 18 2HB HIS 18 -14.397 -3.907 2.957 833 HB3 HIS 18 1HB HIS 18 -16.052 -4.014 2.352 834 HD1 HIS 18 1HD HIS 18 -17.716 -2.424 3.367 835 HD2 HIS 18 2HD HIS 18 -14.344 -2.861 5.772 836 HE1 HIS 18 1HE HIS 18 -18.039 -0.888 5.356 837 HE2 HIS 18 2HE HIS 18 -15.992 -1.138 6.824 838 H SER 19 H SER 19 -13.832 -6.557 2.334 839 HA SER 19 HA SER 19 -15.585 -7.699 0.471 840 HB2 SER 19 2HB SER 19 -13.136 -7.516 0.092 841 HB3 SER 19 1HB SER 19 -12.886 -8.819 1.246 842 HG SER 19 HG SER 19 -14.499 -8.988 -1.109 843 H GLY 20 H GLY 20 -14.223 -8.929 3.486 844 HA2 GLY 20 2HA GLY 20 -15.346 -11.546 3.398 845 HA3 GLY 20 1HA GLY 20 -14.689 -10.754 4.798 846 H LYS 21 H LYS 21 -16.356 -8.531 4.979 847 HA LYS 21 HA LYS 21 -18.562 -9.617 6.356 848 HB2 LYS 21 2HB LYS 21 -17.677 -7.390 6.791 849 HB3 LYS 21 1HB LYS 21 -18.261 -6.830 5.226 850 HG2 LYS 21 2HG LYS 21 -20.571 -7.353 5.964 851 HG3 LYS 21 1HG LYS 21 -19.935 -7.878 7.522 852 HD2 LYS 21 2HD LYS 21 -20.652 -5.565 7.725 853 HD3 LYS 21 1HD LYS 21 -18.898 -5.621 7.811 854 HE2 LYS 21 2HE LYS 21 -19.974 -5.333 5.070 855 HE3 LYS 21 1HE LYS 21 -20.309 -3.968 6.137 856 HZ1 LYS 21 3HZ LYS 21 -18.153 -3.417 6.259 857 HZ2 LYS 21 1HZ LYS 21 -18.025 -4.284 4.807 858 HZ3 LYS 21 2HZ LYS 21 -17.617 -5.029 6.277 859 H GLU 22 H GLU 22 -18.423 -8.265 3.034 860 HA GLU 22 HA GLU 22 -21.070 -9.524 2.589 861 HB2 GLU 22 2HB GLU 22 -20.169 -6.839 1.591 862 HB3 GLU 22 1HB GLU 22 -21.619 -7.667 1.026 863 HG2 GLU 22 2HG GLU 22 -22.442 -7.738 3.368 864 HG3 GLU 22 1HG GLU 22 -21.020 -6.840 3.863 865 H GLY 23 H GLY 23 -21.530 -10.295 0.511 866 HA2 GLY 23 2HA GLY 23 -21.076 -11.378 -1.460 867 HA3 GLY 23 1HA GLY 23 -19.974 -10.047 -1.778 868 H ASP 24 H ASP 24 -18.443 -11.323 -2.797 869 HA ASP 24 HA ASP 24 -17.345 -13.687 -1.616 870 HB2 ASP 24 2HB ASP 24 -16.333 -11.891 -3.823 871 HB3 ASP 24 1HB ASP 24 -15.570 -13.408 -3.361 872 H LYS 25 H LYS 25 -15.575 -13.934 -0.370 873 HA LYS 25 HA LYS 25 -14.832 -11.849 1.314 874 HB2 LYS 25 2HB LYS 25 -13.355 -14.430 0.811 875 HB3 LYS 25 1HB LYS 25 -13.131 -13.359 2.203 876 HG2 LYS 25 2HG LYS 25 -15.605 -13.659 2.740 877 HG3 LYS 25 1HG LYS 25 -15.670 -14.901 1.495 878 HD2 LYS 25 2HD LYS 25 -13.785 -14.958 3.873 879 HD3 LYS 25 1HD LYS 25 -15.313 -15.832 3.787 880 HE2 LYS 25 2HE LYS 25 -14.233 -16.696 1.484 881 HE3 LYS 25 1HE LYS 25 -12.742 -16.362 2.368 882 HZ1 LYS 25 3HZ LYS 25 -14.974 -18.109 3.245 883 HZ2 LYS 25 1HZ LYS 25 -13.638 -17.706 4.209 884 HZ3 LYS 25 2HZ LYS 25 -13.415 -18.603 2.784 885 H TYR 26 H TYR 26 -13.305 -12.952 -1.639 886 HA TYR 26 HA TYR 26 -11.098 -11.054 -1.159 887 HB2 TYR 26 2HB TYR 26 -11.300 -13.370 -3.084 888 HB3 TYR 26 1HB TYR 26 -9.899 -12.309 -2.906 889 HD1 TYR 26 2HD TYR 26 -8.708 -12.179 -0.701 890 HD2 TYR 26 1HD TYR 26 -11.742 -15.112 -1.505 891 HE1 TYR 26 2HE TYR 26 -7.939 -13.508 1.245 892 HE2 TYR 26 1HE TYR 26 -10.973 -16.440 0.443 893 HH TYR 26 HH TYR 26 -8.074 -15.543 2.243 894 H LYS 27 H LYS 27 -13.910 -10.416 -2.296 895 HA LYS 27 HA LYS 27 -12.796 -8.853 -4.536 896 HB2 LYS 27 2HB LYS 27 -14.025 -10.982 -5.405 897 HB3 LYS 27 1HB LYS 27 -15.482 -10.144 -4.899 898 HG2 LYS 27 2HG LYS 27 -15.238 -9.535 -7.165 899 HG3 LYS 27 1HG LYS 27 -14.594 -8.157 -6.271 900 HD2 LYS 27 2HD LYS 27 -12.324 -8.817 -6.695 901 HD3 LYS 27 1HD LYS 27 -12.812 -10.413 -7.242 902 HE2 LYS 27 2HE LYS 27 -14.034 -9.228 -9.128 903 HE3 LYS 27 1HE LYS 27 -13.185 -7.761 -8.628 904 HZ1 LYS 27 3HZ LYS 27 -12.235 -9.757 -10.274 905 HZ2 LYS 27 1HZ LYS 27 -11.395 -9.946 -8.813 906 HZ3 LYS 27 2HZ LYS 27 -11.355 -8.456 -9.628 907 H LEU 28 H LEU 28 -13.574 -6.793 -4.614 908 HA LEU 28 HA LEU 28 -15.559 -6.138 -2.527 909 HB2 LEU 28 2HB LEU 28 -13.067 -5.313 -2.597 910 HB3 LEU 28 1HB LEU 28 -13.647 -4.220 -3.810 911 HG LEU 28 HG LEU 28 -15.275 -3.250 -2.239 912 HD11 LEU 28 1HD1 LEU 28 -14.679 -3.869 0.284 913 HD12 LEU 28 2HD1 LEU 28 -14.225 -5.416 -0.420 914 HD13 LEU 28 3HD1 LEU 28 -15.871 -4.810 -0.599 915 HD21 LEU 28 3HD2 LEU 28 -12.514 -3.362 -0.969 916 HD22 LEU 28 1HD2 LEU 28 -13.654 -2.025 -0.906 917 HD23 LEU 28 2HD2 LEU 28 -12.849 -2.433 -2.427 918 H SER 29 H SER 29 -17.497 -5.368 -3.195 919 HA SER 29 HA SER 29 -17.835 -4.689 -6.030 920 HB2 SER 29 2HB SER 29 -20.207 -5.014 -5.655 921 HB3 SER 29 1HB SER 29 -19.321 -6.396 -5.017 922 HG SER 29 HG SER 29 -19.473 -5.433 -2.959 923 H LYS 30 H LYS 30 -19.426 -2.876 -6.515 924 HA LYS 30 HA LYS 30 -18.407 -0.435 -5.704 925 HB2 LYS 30 2HB LYS 30 -19.917 -0.792 -7.646 926 HB3 LYS 30 1HB LYS 30 -21.260 -0.948 -6.511 927 HG2 LYS 30 2HG LYS 30 -20.697 1.343 -5.622 928 HG3 LYS 30 1HG LYS 30 -19.487 1.479 -6.895 929 HD2 LYS 30 2HD LYS 30 -21.495 2.544 -7.684 930 HD3 LYS 30 1HD LYS 30 -21.312 1.031 -8.572 931 HE2 LYS 30 2HE LYS 30 -23.148 0.078 -7.583 932 HE3 LYS 30 1HE LYS 30 -22.843 0.839 -6.015 933 HZ1 LYS 30 3HZ LYS 30 -23.971 2.705 -6.605 934 HZ2 LYS 30 1HZ LYS 30 -24.821 1.589 -7.557 935 HZ3 LYS 30 2HZ LYS 30 -23.617 2.559 -8.260 936 H LYS 31 H LYS 31 -21.351 -2.030 -4.530 937 HA LYS 31 HA LYS 31 -22.109 0.004 -2.772 938 HB2 LYS 31 2HB LYS 31 -23.546 -1.652 -1.753 939 HB3 LYS 31 1HB LYS 31 -23.506 -1.960 -3.492 940 HG2 LYS 31 2HG LYS 31 -21.678 -3.641 -3.072 941 HG3 LYS 31 1HG LYS 31 -21.953 -3.412 -1.347 942 HD2 LYS 31 2HD LYS 31 -24.306 -3.966 -1.707 943 HD3 LYS 31 1HD LYS 31 -23.928 -4.456 -3.351 944 HE2 LYS 31 2HE LYS 31 -22.629 -5.590 -0.851 945 HE3 LYS 31 1HE LYS 31 -23.935 -6.375 -1.738 946 HZ1 LYS 31 3HZ LYS 31 -21.173 -5.832 -2.636 947 HZ2 LYS 31 1HZ LYS 31 -22.415 -6.152 -3.745 948 HZ3 LYS 31 2HZ LYS 31 -21.996 -7.317 -2.581 949 H GLU 32 H GLU 32 -20.249 -2.972 -2.218 950 HA GLU 32 HA GLU 32 -19.762 -2.580 0.522 951 HB2 GLU 32 2HB GLU 32 -18.029 -3.990 -1.526 952 HB3 GLU 32 1HB GLU 32 -17.859 -4.132 0.225 953 HG2 GLU 32 2HG GLU 32 -20.189 -4.985 0.357 954 HG3 GLU 32 1HG GLU 32 -20.283 -4.932 -1.394 955 H LEU 33 H LEU 33 -17.567 -1.731 -2.253 956 HA LEU 33 HA LEU 33 -15.602 -0.670 -0.536 957 HB2 LEU 33 2HB LEU 33 -14.727 0.601 -2.488 958 HB3 LEU 33 1HB LEU 33 -14.897 -1.114 -2.741 959 HG LEU 33 HG LEU 33 -17.328 -0.271 -3.646 960 HD11 LEU 33 1HD1 LEU 33 -17.046 1.719 -4.997 961 HD12 LEU 33 2HD1 LEU 33 -15.334 1.814 -4.614 962 HD13 LEU 33 3HD1 LEU 33 -16.540 2.138 -3.365 963 HD21 LEU 33 3HD2 LEU 33 -15.987 -0.314 -5.964 964 HD22 LEU 33 1HD2 LEU 33 -16.168 -1.785 -5.001 965 HD23 LEU 33 2HD2 LEU 33 -14.671 -0.859 -4.938 966 H LYS 34 H LYS 34 -18.485 0.762 -1.949 967 HA LYS 34 HA LYS 34 -17.887 3.417 -1.286 968 HB2 LYS 34 2HB LYS 34 -19.920 2.687 -2.561 969 HB3 LYS 34 1HB LYS 34 -20.587 2.052 -1.058 970 HG2 LYS 34 2HG LYS 34 -21.553 4.204 -1.244 971 HG3 LYS 34 1HG LYS 34 -20.222 4.436 -0.113 972 HD2 LYS 34 2HD LYS 34 -18.803 5.315 -1.895 973 HD3 LYS 34 1HD LYS 34 -20.041 4.951 -3.089 974 HE2 LYS 34 2HE LYS 34 -20.724 7.098 -2.770 975 HE3 LYS 34 1HE LYS 34 -21.410 6.517 -1.250 976 HZ1 LYS 34 3HZ LYS 34 -19.020 6.896 -0.382 977 HZ2 LYS 34 1HZ LYS 34 -20.058 8.223 -0.561 978 HZ3 LYS 34 2HZ LYS 34 -18.866 7.916 -1.731 979 H GLU 35 H GLU 35 -19.014 0.666 0.657 980 HA GLU 35 HA GLU 35 -19.465 2.262 3.008 981 HB2 GLU 35 2HB GLU 35 -19.207 -0.719 2.610 982 HB3 GLU 35 1HB GLU 35 -19.657 0.054 4.129 983 HG2 GLU 35 2HG GLU 35 -21.575 1.139 3.000 984 HG3 GLU 35 1HG GLU 35 -21.150 0.303 1.508 985 H LEU 36 H LEU 36 -16.767 0.189 1.890 986 HA LEU 36 HA LEU 36 -15.335 0.260 4.332 987 HB2 LEU 36 2HB LEU 36 -14.981 -1.253 2.263 988 HB3 LEU 36 1HB LEU 36 -14.018 0.071 1.624 989 HG LEU 36 HG LEU 36 -13.497 -1.343 4.281 990 HD11 LEU 36 1HD1 LEU 36 -12.076 -2.748 3.228 991 HD12 LEU 36 2HD1 LEU 36 -11.514 -1.517 2.100 992 HD13 LEU 36 3HD1 LEU 36 -13.022 -2.371 1.788 993 HD21 LEU 36 3HD2 LEU 36 -12.530 0.726 4.614 994 HD22 LEU 36 1HD2 LEU 36 -12.249 1.005 2.901 995 HD23 LEU 36 2HD2 LEU 36 -11.214 -0.097 3.800 996 H LEU 37 H LEU 37 -15.076 2.369 1.402 997 HA LEU 37 HA LEU 37 -12.921 3.892 2.467 998 HB2 LEU 37 2HB LEU 37 -14.961 4.526 0.341 999 HB3 LEU 37 1HB LEU 37 -13.742 5.690 0.834 1000 HG LEU 37 HG LEU 37 -13.224 4.171 -1.200 1001 HD11 LEU 37 1HD1 LEU 37 -11.178 4.124 1.029 1002 HD12 LEU 37 2HD1 LEU 37 -11.576 5.586 0.126 1003 HD13 LEU 37 3HD1 LEU 37 -10.883 4.196 -0.707 1004 HD21 LEU 37 3HD2 LEU 37 -12.489 2.229 0.983 1005 HD22 LEU 37 1HD2 LEU 37 -12.403 1.978 -0.756 1006 HD23 LEU 37 2HD2 LEU 37 -13.964 2.095 0.041 1007 H GLN 38 H GLN 38 -16.444 4.432 2.550 1008 HA GLN 38 HA GLN 38 -16.293 6.922 3.879 1009 HB2 GLN 38 2HB GLN 38 -18.495 4.857 3.796 1010 HB3 GLN 38 1HB GLN 38 -18.672 6.461 4.509 1011 HG2 GLN 38 2HG GLN 38 -18.026 7.475 2.334 1012 HG3 GLN 38 1HG GLN 38 -17.942 5.868 1.619 1013 HE21 GLN 38 1HE2 GLN 38 -20.387 5.651 3.851 1014 HE22 GLN 38 2HE2 GLN 38 -21.708 6.054 2.863 1015 H THR 39 H THR 39 -16.451 3.603 5.096 1016 HA THR 39 HA THR 39 -16.732 4.383 7.834 1017 HB THR 39 HB THR 39 -16.260 2.039 8.341 1018 HG1 THR 39 1HG THR 39 -15.258 2.154 5.758 1019 HG21 THR 39 3HG2 THR 39 -18.227 2.877 6.287 1020 HG22 THR 39 1HG2 THR 39 -18.477 2.028 7.813 1021 HG23 THR 39 2HG2 THR 39 -17.934 1.142 6.391 1022 H GLU 40 H GLU 40 -13.979 3.756 5.726 1023 HA GLU 40 HA GLU 40 -12.165 4.070 8.018 1024 HB2 GLU 40 2HB GLU 40 -11.743 3.065 5.210 1025 HB3 GLU 40 1HB GLU 40 -10.432 3.349 6.337 1026 HG2 GLU 40 2HG GLU 40 -12.752 1.453 6.764 1027 HG3 GLU 40 1HG GLU 40 -11.090 0.991 6.402 1028 H LEU 41 H LEU 41 -12.233 5.276 4.627 1029 HA LEU 41 HA LEU 41 -10.657 7.583 5.555 1030 HB2 LEU 41 2HB LEU 41 -11.311 6.771 2.719 1031 HB3 LEU 41 1HB LEU 41 -10.163 8.005 3.221 1032 HG LEU 41 HG LEU 41 -9.944 5.024 3.751 1033 HD11 LEU 41 1HD1 LEU 41 -8.010 6.755 2.232 1034 HD12 LEU 41 2HD1 LEU 41 -9.443 6.114 1.431 1035 HD13 LEU 41 3HD1 LEU 41 -8.254 5.012 2.124 1036 HD21 LEU 41 3HD2 LEU 41 -8.351 7.391 4.743 1037 HD22 LEU 41 1HD2 LEU 41 -7.555 5.842 4.477 1038 HD23 LEU 41 2HD2 LEU 41 -8.876 5.957 5.635 1039 H SER 42 H SER 42 -11.288 9.671 5.355 1040 HA SER 42 HA SER 42 -14.151 10.069 4.710 1041 HB2 SER 42 2HB SER 42 -12.285 11.622 6.506 1042 HB3 SER 42 1HB SER 42 -13.916 12.145 6.094 1043 HG SER 42 HG SER 42 -14.079 9.622 6.817 1044 H GLY 43 H GLY 43 -11.483 12.362 4.921 1045 HA2 GLY 43 2HA GLY 43 -12.347 14.047 2.900 1046 HA3 GLY 43 1HA GLY 43 -10.702 13.965 3.496 1047 H PHE 44 H PHE 44 -10.164 11.229 2.578 1048 HA PHE 44 HA PHE 44 -9.202 11.857 0.014 1049 HB2 PHE 44 2HB PHE 44 -9.661 9.182 1.333 1050 HB3 PHE 44 1HB PHE 44 -8.805 9.385 -0.194 1051 HD1 PHE 44 1HD PHE 44 -6.658 10.628 -0.277 1052 HD2 PHE 44 2HD PHE 44 -8.675 9.838 3.434 1053 HE1 PHE 44 1HE PHE 44 -4.587 11.185 0.969 1054 HE2 PHE 44 2HE PHE 44 -6.603 10.394 4.678 1055 HZ PHE 44 HZ PHE 44 -4.559 11.067 3.447 1056 H LEU 45 H LEU 45 -11.857 9.571 0.805 1057 HA LEU 45 HA LEU 45 -12.607 9.303 -1.942 1058 HB2 LEU 45 2HB LEU 45 -13.004 7.740 0.152 1059 HB3 LEU 45 1HB LEU 45 -14.473 8.688 0.324 1060 HG LEU 45 HG LEU 45 -15.035 6.755 -0.999 1061 HD11 LEU 45 1HD1 LEU 45 -15.796 9.107 -1.780 1062 HD12 LEU 45 2HD1 LEU 45 -15.960 7.771 -2.921 1063 HD13 LEU 45 3HD1 LEU 45 -14.618 8.903 -3.079 1064 HD21 LEU 45 3HD2 LEU 45 -13.727 5.840 -2.658 1065 HD22 LEU 45 1HD2 LEU 45 -12.449 6.615 -1.723 1066 HD23 LEU 45 2HD2 LEU 45 -13.081 7.394 -3.174 1067 H ASP 46 H ASP 46 -13.729 11.181 0.785 1068 HA ASP 46 HA ASP 46 -16.024 12.353 -0.355 1069 HB2 ASP 46 2HB ASP 46 -15.486 12.305 2.073 1070 HB3 ASP 46 1HB ASP 46 -14.244 13.520 1.783 1071 H ALA 47 H ALA 47 -12.636 13.184 -0.617 1072 HA ALA 47 HA ALA 47 -12.771 15.867 -1.266 1073 HB1 ALA 47 1HB ALA 47 -10.627 14.960 -0.950 1074 HB2 ALA 47 2HB ALA 47 -10.682 15.348 -2.670 1075 HB3 ALA 47 3HB ALA 47 -10.897 13.681 -2.135 1076 H GLN 48 H GLN 48 -13.577 13.119 -3.303 1077 HA GLN 48 HA GLN 48 -13.456 14.450 -5.793 1078 HB2 GLN 48 2HB GLN 48 -15.345 12.239 -4.943 1079 HB3 GLN 48 1HB GLN 48 -15.015 12.727 -6.604 1080 HG2 GLN 48 2HG GLN 48 -13.052 11.496 -4.645 1081 HG3 GLN 48 1HG GLN 48 -13.666 10.784 -6.127 1082 HE21 GLN 48 1HE2 GLN 48 -10.988 12.298 -4.892 1083 HE22 GLN 48 2HE2 GLN 48 -10.356 12.954 -6.330 1084 H LYS 49 H LYS 49 -15.903 14.287 -3.293 1085 HA LYS 49 HA LYS 49 -17.773 15.512 -2.851 1086 HB2 LYS 49 2HB LYS 49 -16.442 17.447 -4.750 1087 HB3 LYS 49 1HB LYS 49 -17.840 17.828 -3.744 1088 HG2 LYS 49 2HG LYS 49 -16.513 17.199 -1.727 1089 HG3 LYS 49 1HG LYS 49 -15.110 16.956 -2.763 1090 HD2 LYS 49 2HD LYS 49 -15.320 19.325 -3.532 1091 HD3 LYS 49 1HD LYS 49 -16.631 19.548 -2.375 1092 HE2 LYS 49 2HE LYS 49 -15.040 18.814 -0.558 1093 HE3 LYS 49 1HE LYS 49 -13.748 18.855 -1.757 1094 HZ1 LYS 49 3HZ LYS 49 -13.565 21.011 -1.355 1095 HZ2 LYS 49 1HZ LYS 49 -14.914 20.997 -0.329 1096 HZ3 LYS 49 2HZ LYS 49 -15.120 21.245 -1.997 1097 H ASP 50 H ASP 50 -18.088 13.525 -4.898 1098 HA ASP 50 HA ASP 50 -20.412 14.717 -6.252 1099 HB2 ASP 50 2HB ASP 50 -18.266 13.123 -7.669 1100 HB3 ASP 50 1HB ASP 50 -19.844 13.483 -8.355 1101 H VAL 51 H VAL 51 -22.073 13.222 -6.718 1102 HA VAL 51 HA VAL 51 -22.164 10.969 -4.939 1103 HB VAL 51 HB VAL 51 -24.396 10.607 -5.717 1104 HG11 VAL 51 1HG1 VAL 51 -23.678 12.844 -4.482 1105 HG12 VAL 51 2HG1 VAL 51 -25.339 12.593 -5.019 1106 HG13 VAL 51 3HG1 VAL 51 -24.242 13.582 -5.981 1107 HG21 VAL 51 3HG2 VAL 51 -23.656 12.410 -8.046 1108 HG22 VAL 51 1HG2 VAL 51 -25.294 11.870 -7.687 1109 HG23 VAL 51 2HG2 VAL 51 -24.054 10.696 -8.119 1110 H ASP 52 H ASP 52 -21.519 11.435 -8.342 1111 HA ASP 52 HA ASP 52 -21.568 8.578 -8.920 1112 HB2 ASP 52 2HB ASP 52 -20.873 10.990 -10.610 1113 HB3 ASP 52 1HB ASP 52 -20.836 9.329 -11.199 1114 H ALA 53 H ALA 53 -19.475 10.476 -7.316 1115 HA ALA 53 HA ALA 53 -16.977 10.073 -8.513 1116 HB1 ALA 53 1HB ALA 53 -16.156 10.148 -6.057 1117 HB2 ALA 53 2HB ALA 53 -17.848 10.443 -5.658 1118 HB3 ALA 53 3HB ALA 53 -16.982 11.561 -6.706 1119 H VAL 54 H VAL 54 -18.864 7.967 -6.364 1120 HA VAL 54 HA VAL 54 -16.859 6.047 -5.901 1121 HB VAL 54 HB VAL 54 -19.100 6.176 -4.754 1122 HG11 VAL 54 1HG1 VAL 54 -20.308 6.388 -7.027 1123 HG12 VAL 54 2HG1 VAL 54 -21.045 5.324 -5.828 1124 HG13 VAL 54 3HG1 VAL 54 -20.107 4.641 -7.156 1125 HG21 VAL 54 3HG2 VAL 54 -17.988 3.652 -5.959 1126 HG22 VAL 54 1HG2 VAL 54 -19.428 3.580 -4.947 1127 HG23 VAL 54 2HG2 VAL 54 -17.916 4.203 -4.287 1128 H ASP 55 H ASP 55 -19.293 6.327 -8.472 1129 HA ASP 55 HA ASP 55 -18.635 3.929 -9.802 1130 HB2 ASP 55 2HB ASP 55 -19.819 6.518 -10.788 1131 HB3 ASP 55 1HB ASP 55 -19.708 5.063 -11.777 1132 H LYS 56 H LYS 56 -17.486 7.271 -10.188 1133 HA LYS 56 HA LYS 56 -15.794 6.784 -12.396 1134 HB2 LYS 56 2HB LYS 56 -15.594 8.847 -10.192 1135 HB3 LYS 56 1HB LYS 56 -14.630 8.864 -11.669 1136 HG2 LYS 56 2HG LYS 56 -16.743 8.909 -13.000 1137 HG3 LYS 56 1HG LYS 56 -17.653 9.020 -11.493 1138 HD2 LYS 56 2HD LYS 56 -16.384 11.099 -10.931 1139 HD3 LYS 56 1HD LYS 56 -15.606 11.011 -12.512 1140 HE2 LYS 56 2HE LYS 56 -17.748 11.220 -13.637 1141 HE3 LYS 56 1HE LYS 56 -18.605 11.144 -12.098 1142 HZ1 LYS 56 3HZ LYS 56 -18.048 13.254 -11.573 1143 HZ2 LYS 56 1HZ LYS 56 -17.965 13.423 -13.258 1144 HZ3 LYS 56 2HZ LYS 56 -16.544 13.186 -12.358 1145 H VAL 57 H VAL 57 -15.248 6.584 -8.909 1146 HA VAL 57 HA VAL 57 -12.464 6.130 -9.053 1147 HB VAL 57 HB VAL 57 -14.502 5.471 -6.917 1148 HG11 VAL 57 1HG1 VAL 57 -12.737 3.935 -6.513 1149 HG12 VAL 57 2HG1 VAL 57 -12.352 5.321 -5.494 1150 HG13 VAL 57 3HG1 VAL 57 -11.505 5.089 -7.023 1151 HG21 VAL 57 3HG2 VAL 57 -13.734 7.460 -5.883 1152 HG22 VAL 57 1HG2 VAL 57 -13.865 7.890 -7.588 1153 HG23 VAL 57 2HG2 VAL 57 -12.288 7.527 -6.889 1154 H MET 58 H MET 58 -15.206 3.839 -8.891 1155 HA MET 58 HA MET 58 -13.487 1.583 -8.777 1156 HB2 MET 58 2HB MET 58 -15.342 0.262 -8.663 1157 HB3 MET 58 1HB MET 58 -15.991 1.790 -8.099 1158 HG2 MET 58 2HG MET 58 -17.598 1.495 -9.672 1159 HG3 MET 58 1HG MET 58 -16.378 1.930 -10.854 1160 HE1 MET 58 3HE MET 58 -17.072 -2.080 -9.050 1161 HE2 MET 58 1HE MET 58 -18.598 -1.511 -9.738 1162 HE3 MET 58 2HE MET 58 -17.719 -0.510 -8.586 1163 H LYS 59 H LYS 59 -14.841 3.287 -11.586 1164 HA LYS 59 HA LYS 59 -14.465 1.226 -13.461 1165 HB2 LYS 59 2HB LYS 59 -14.294 4.190 -13.876 1166 HB3 LYS 59 1HB LYS 59 -14.341 2.977 -15.158 1167 HG2 LYS 59 2HG LYS 59 -16.474 2.226 -13.506 1168 HG3 LYS 59 1HG LYS 59 -16.522 3.986 -13.458 1169 HD2 LYS 59 2HD LYS 59 -16.338 2.364 -15.970 1170 HD3 LYS 59 1HD LYS 59 -17.856 2.996 -15.323 1171 HE2 LYS 59 2HE LYS 59 -15.459 4.655 -16.184 1172 HE3 LYS 59 1HE LYS 59 -16.995 4.530 -17.040 1173 HZ1 LYS 59 3HZ LYS 59 -17.742 5.204 -14.530 1174 HZ2 LYS 59 1HZ LYS 59 -17.588 6.284 -15.829 1175 HZ3 LYS 59 2HZ LYS 59 -16.306 6.091 -14.730 1176 H GLU 60 H GLU 60 -12.099 3.687 -12.347 1177 HA GLU 60 HA GLU 60 -10.126 2.812 -14.235 1178 HB2 GLU 60 2HB GLU 60 -8.626 4.308 -13.170 1179 HB3 GLU 60 1HB GLU 60 -10.204 5.089 -13.098 1180 HG2 GLU 60 2HG GLU 60 -10.490 4.182 -10.788 1181 HG3 GLU 60 1HG GLU 60 -8.849 3.548 -10.864 1182 H LEU 61 H LEU 61 -10.899 2.026 -10.901 1183 HA LEU 61 HA LEU 61 -8.592 0.451 -10.396 1184 HB2 LEU 61 2HB LEU 61 -11.314 0.333 -9.093 1185 HB3 LEU 61 1HB LEU 61 -9.855 -0.433 -8.476 1186 HG LEU 61 HG LEU 61 -10.234 2.550 -8.873 1187 HD11 LEU 61 1HD1 LEU 61 -9.836 1.156 -6.239 1188 HD12 LEU 61 2HD1 LEU 61 -11.446 1.201 -6.957 1189 HD13 LEU 61 3HD1 LEU 61 -10.612 2.705 -6.571 1190 HD21 LEU 61 3HD2 LEU 61 -7.916 2.295 -9.055 1191 HD22 LEU 61 1HD2 LEU 61 -7.901 0.832 -8.063 1192 HD23 LEU 61 2HD2 LEU 61 -8.094 2.408 -7.318 1193 H ASP 62 H ASP 62 -11.715 -0.298 -11.818 1194 HA ASP 62 HA ASP 62 -11.327 -3.115 -11.597 1195 HB2 ASP 62 2HB ASP 62 -13.550 -2.027 -11.905 1196 HB3 ASP 62 1HB ASP 62 -13.085 -1.646 -13.564 1197 H GLU 63 H GLU 63 -9.241 -3.465 -12.355 1198 HA GLU 63 HA GLU 63 -8.263 -2.827 -14.935 1199 HB2 GLU 63 2HB GLU 63 -6.801 -3.560 -13.144 1200 HB3 GLU 63 1HB GLU 63 -7.687 -5.084 -13.004 1201 HG2 GLU 63 2HG GLU 63 -7.050 -5.695 -15.271 1202 HG3 GLU 63 1HG GLU 63 -6.132 -4.179 -15.448 1203 H ASN 64 H ASN 64 -9.758 -5.619 -13.560 1204 HA ASN 64 HA ASN 64 -9.771 -7.367 -15.714 1205 HB2 ASN 64 2HB ASN 64 -11.605 -6.922 -13.419 1206 HB3 ASN 64 1HB ASN 64 -11.611 -8.404 -14.375 1207 HD21 ASN 64 1HD2 ASN 64 -8.889 -8.945 -14.616 1208 HD22 ASN 64 2HD2 ASN 64 -8.182 -9.109 -13.082 1209 H GLY 65 H GLY 65 -12.009 -4.810 -14.768 1210 HA2 GLY 65 2HA GLY 65 -13.587 -3.687 -16.067 1211 HA3 GLY 65 1HA GLY 65 -13.226 -4.785 -17.404 1212 H ASP 66 H ASP 66 -13.702 -6.224 -14.357 1213 HA ASP 66 HA ASP 66 -16.098 -7.561 -15.296 1214 HB2 ASP 66 2HB ASP 66 -15.760 -8.990 -13.320 1215 HB3 ASP 66 1HB ASP 66 -14.286 -8.849 -14.273 1216 H GLY 67 H GLY 67 -15.699 -4.688 -13.793 1217 HA2 GLY 67 2HA GLY 67 -17.362 -3.312 -12.911 1218 HA3 GLY 67 1HA GLY 67 -18.416 -4.715 -12.782 1219 H GLU 68 H GLU 68 -15.533 -5.598 -11.490 1220 HA GLU 68 HA GLU 68 -16.317 -4.800 -8.747 1221 HB2 GLU 68 2HB GLU 68 -15.095 -7.374 -9.695 1222 HB3 GLU 68 1HB GLU 68 -15.209 -6.912 -8.006 1223 HG2 GLU 68 2HG GLU 68 -17.075 -8.262 -8.297 1224 HG3 GLU 68 1HG GLU 68 -17.743 -6.639 -8.507 1225 H VAL 69 H VAL 69 -14.675 -4.617 -7.209 1226 HA VAL 69 HA VAL 69 -12.059 -3.856 -8.330 1227 HB VAL 69 HB VAL 69 -13.303 -3.107 -5.675 1228 HG11 VAL 69 1HG1 VAL 69 -10.840 -3.149 -5.648 1229 HG12 VAL 69 2HG1 VAL 69 -11.447 -1.496 -5.543 1230 HG13 VAL 69 3HG1 VAL 69 -10.812 -2.105 -7.071 1231 HG21 VAL 69 3HG2 VAL 69 -14.545 -1.961 -7.331 1232 HG22 VAL 69 1HG2 VAL 69 -13.108 -1.657 -8.310 1233 HG23 VAL 69 2HG2 VAL 69 -13.336 -0.803 -6.784 1234 H ASP 70 H ASP 70 -10.327 -5.090 -7.752 1235 HA ASP 70 HA ASP 70 -10.856 -7.310 -5.897 1236 HB2 ASP 70 2HB ASP 70 -10.073 -7.801 -8.229 1237 HB3 ASP 70 1HB ASP 70 -8.542 -7.039 -7.813 1238 H PHE 71 H PHE 71 -9.171 -8.017 -4.470 1239 HA PHE 71 HA PHE 71 -8.365 -6.139 -2.619 1240 HB2 PHE 71 2HB PHE 71 -8.395 -8.715 -2.537 1241 HB3 PHE 71 1HB PHE 71 -6.817 -8.647 -3.293 1242 HD1 PHE 71 1HD PHE 71 -6.500 -5.823 -1.394 1243 HD2 PHE 71 2HD PHE 71 -7.075 -10.042 -0.839 1244 HE1 PHE 71 1HE PHE 71 -5.429 -5.678 0.835 1245 HE2 PHE 71 2HE PHE 71 -6.022 -9.877 1.386 1246 HZ PHE 71 HZ PHE 71 -5.202 -7.705 2.214 1247 H GLN 72 H GLN 72 -6.525 -7.435 -5.409 1248 HA GLN 72 HA GLN 72 -4.128 -6.004 -4.879 1249 HB2 GLN 72 2HB GLN 72 -5.303 -6.990 -7.495 1250 HB3 GLN 72 1HB GLN 72 -3.658 -6.379 -7.305 1251 HG2 GLN 72 2HG GLN 72 -3.176 -8.134 -5.668 1252 HG3 GLN 72 1HG GLN 72 -4.818 -8.737 -5.784 1253 HE21 GLN 72 1HE2 GLN 72 -2.655 -10.437 -6.354 1254 HE22 GLN 72 2HE2 GLN 72 -2.641 -10.778 -8.012 1255 H GLU 73 H GLU 73 -7.039 -5.165 -6.762 1256 HA GLU 73 HA GLU 73 -6.073 -2.729 -7.834 1257 HB2 GLU 73 2HB GLU 73 -8.893 -3.598 -7.163 1258 HB3 GLU 73 1HB GLU 73 -8.481 -2.219 -8.176 1259 HG2 GLU 73 2HG GLU 73 -7.288 -3.772 -9.733 1260 HG3 GLU 73 1HG GLU 73 -7.814 -5.128 -8.742 1261 H TYR 74 H TYR 74 -7.841 -3.566 -4.919 1262 HA TYR 74 HA TYR 74 -8.267 -0.988 -3.835 1263 HB2 TYR 74 2HB TYR 74 -9.419 -3.086 -3.145 1264 HB3 TYR 74 1HB TYR 74 -7.916 -3.645 -2.418 1265 HD1 TYR 74 2HD TYR 74 -7.021 -2.580 -0.395 1266 HD2 TYR 74 1HD TYR 74 -10.712 -1.291 -2.171 1267 HE1 TYR 74 2HE TYR 74 -7.583 -1.331 1.674 1268 HE2 TYR 74 1HE TYR 74 -11.273 -0.055 -0.101 1269 HH TYR 74 HH TYR 74 -10.599 0.563 1.896 1270 H VAL 75 H VAL 75 -5.747 -3.361 -3.543 1271 HA VAL 75 HA VAL 75 -4.215 -2.150 -1.525 1272 HB VAL 75 HB VAL 75 -4.014 -4.528 -3.079 1273 HG11 VAL 75 1HG1 VAL 75 -1.550 -2.836 -3.428 1274 HG12 VAL 75 2HG1 VAL 75 -2.504 -3.601 -4.678 1275 HG13 VAL 75 3HG1 VAL 75 -1.558 -4.582 -3.568 1276 HG21 VAL 75 3HG2 VAL 75 -2.126 -5.029 -1.468 1277 HG22 VAL 75 1HG2 VAL 75 -3.666 -4.575 -0.735 1278 HG23 VAL 75 2HG2 VAL 75 -2.346 -3.401 -0.833 1279 H VAL 76 H VAL 76 -3.933 -1.909 -5.097 1280 HA VAL 76 HA VAL 76 -1.787 -0.028 -4.846 1281 HB VAL 76 HB VAL 76 -2.066 0.456 -7.195 1282 HG11 VAL 76 1HG1 VAL 76 -2.694 -2.480 -6.923 1283 HG12 VAL 76 2HG1 VAL 76 -1.178 -1.824 -6.302 1284 HG13 VAL 76 3HG1 VAL 76 -1.562 -1.690 -8.020 1285 HG21 VAL 76 3HG2 VAL 76 -4.611 0.520 -7.096 1286 HG22 VAL 76 1HG2 VAL 76 -4.561 -1.236 -7.145 1287 HG23 VAL 76 2HG2 VAL 76 -3.933 -0.307 -8.495 1288 H LEU 77 H LEU 77 -5.339 0.274 -4.900 1289 HA LEU 77 HA LEU 77 -5.468 3.058 -5.256 1290 HB2 LEU 77 2HB LEU 77 -7.497 1.764 -5.228 1291 HB3 LEU 77 1HB LEU 77 -7.199 1.229 -3.584 1292 HG LEU 77 HG LEU 77 -7.400 3.611 -2.815 1293 HD11 LEU 77 1HD1 LEU 77 -8.293 4.105 -5.665 1294 HD12 LEU 77 2HD1 LEU 77 -6.869 4.788 -4.897 1295 HD13 LEU 77 3HD1 LEU 77 -8.474 5.239 -4.337 1296 HD21 LEU 77 3HD2 LEU 77 -9.675 2.260 -4.245 1297 HD22 LEU 77 1HD2 LEU 77 -9.907 3.731 -3.298 1298 HD23 LEU 77 2HD2 LEU 77 -9.306 2.266 -2.519 1299 H VAL 78 H VAL 78 -5.232 1.274 -2.132 1300 HA VAL 78 HA VAL 78 -5.050 3.736 -0.686 1301 HB VAL 78 HB VAL 78 -4.403 2.429 1.279 1302 HG11 VAL 78 1HG1 VAL 78 -6.465 0.747 1.019 1303 HG12 VAL 78 2HG1 VAL 78 -6.764 1.746 -0.408 1304 HG13 VAL 78 3HG1 VAL 78 -6.679 2.488 1.195 1305 HG21 VAL 78 3HG2 VAL 78 -4.096 0.058 1.230 1306 HG22 VAL 78 1HG2 VAL 78 -3.036 0.714 -0.010 1307 HG23 VAL 78 2HG2 VAL 78 -4.559 -0.049 -0.463 1308 H ALA 79 H ALA 79 -2.626 1.562 -2.056 1309 HA ALA 79 HA ALA 79 -0.438 2.802 -0.670 1310 HB1 ALA 79 1HB ALA 79 -0.627 0.570 -2.114 1311 HB2 ALA 79 2HB ALA 79 0.899 1.389 -1.847 1312 HB3 ALA 79 3HB ALA 79 0.020 1.625 -3.363 1313 H ALA 80 H ALA 80 -1.768 3.281 -3.934 1314 HA ALA 80 HA ALA 80 0.029 5.319 -4.703 1315 HB1 ALA 80 1HB ALA 80 -1.790 5.880 -6.380 1316 HB2 ALA 80 2HB ALA 80 -2.755 4.604 -5.637 1317 HB3 ALA 80 3HB ALA 80 -1.215 4.211 -6.409 1318 H LEU 81 H LEU 81 -3.129 5.338 -3.055 1319 HA LEU 81 HA LEU 81 -3.298 8.190 -2.974 1320 HB2 LEU 81 2HB LEU 81 -4.709 5.958 -1.609 1321 HB3 LEU 81 1HB LEU 81 -4.753 7.537 -0.826 1322 HG LEU 81 HG LEU 81 -5.782 8.571 -2.718 1323 HD11 LEU 81 1HD1 LEU 81 -6.303 6.968 -4.764 1324 HD12 LEU 81 2HD1 LEU 81 -4.851 6.150 -4.207 1325 HD13 LEU 81 3HD1 LEU 81 -4.783 7.845 -4.670 1326 HD21 LEU 81 3HD2 LEU 81 -7.248 7.032 -1.307 1327 HD22 LEU 81 1HD2 LEU 81 -7.103 5.848 -2.608 1328 HD23 LEU 81 2HD2 LEU 81 -7.862 7.406 -2.916 1329 H THR 82 H THR 82 -1.693 5.777 -0.942 1330 HA THR 82 HA THR 82 -1.129 7.498 1.242 1331 HB THR 82 HB THR 82 0.586 5.234 0.192 1332 HG1 THR 82 1HG THR 82 -0.726 3.896 1.273 1333 HG21 THR 82 3HG2 THR 82 0.240 5.829 3.085 1334 HG22 THR 82 1HG2 THR 82 1.233 6.952 2.157 1335 HG23 THR 82 2HG2 THR 82 1.659 5.244 2.216 1336 H VAL 83 H VAL 83 0.865 6.676 -1.632 1337 HA VAL 83 HA VAL 83 2.930 8.506 -0.894 1338 HB VAL 83 HB VAL 83 3.359 6.706 -2.529 1339 HG11 VAL 83 1HG1 VAL 83 1.937 8.417 -4.575 1340 HG12 VAL 83 2HG1 VAL 83 1.161 7.058 -3.781 1341 HG13 VAL 83 3HG1 VAL 83 2.569 6.786 -4.767 1342 HG21 VAL 83 3HG2 VAL 83 3.841 9.286 -3.988 1343 HG22 VAL 83 1HG2 VAL 83 4.947 7.939 -3.703 1344 HG23 VAL 83 2HG2 VAL 83 4.563 9.055 -2.393 1345 H ALA 84 H ALA 84 0.027 8.907 -2.885 1346 HA ALA 84 HA ALA 84 0.647 11.531 -3.773 1347 HB1 ALA 84 1HB ALA 84 -1.158 9.939 -4.650 1348 HB2 ALA 84 2HB ALA 84 -1.597 11.642 -4.503 1349 HB3 ALA 84 3HB ALA 84 -2.136 10.484 -3.285 1350 H CYS 85 H CHC 85 -0.822 10.202 -0.893 1351 HA CYS 85 HA CHC 85 -1.870 12.576 0.206 1352 HB2 CYS 85 2HB CHC 85 -2.435 10.305 1.030 1353 HB3 CYS 85 1HB CHC 85 -0.794 10.144 1.654 1354 H ASN 86 H ASN 86 1.215 10.859 0.876 1355 HA ASN 86 HA ASN 86 2.240 12.864 2.565 1356 HB2 ASN 86 2HB ASN 86 3.260 10.576 2.127 1357 HB3 ASN 86 1HB ASN 86 3.920 11.255 0.640 1358 HD21 ASN 86 1HD2 ASN 86 5.980 12.129 0.882 1359 HD22 ASN 86 2HD2 ASN 86 6.615 12.739 2.335 1360 H ASN 87 H ASN 87 2.289 12.510 -0.975 1361 HA ASN 87 HA ASN 87 3.932 14.752 -1.560 1362 HB2 ASN 87 2HB ASN 87 1.643 13.542 -3.130 1363 HB3 ASN 87 1HB ASN 87 2.788 14.723 -3.762 1364 HD21 ASN 87 1HD2 ASN 87 2.571 12.100 -4.900 1365 HD22 ASN 87 2HD2 ASN 87 4.012 11.262 -4.578 1366 H PHE 88 H PHE 88 0.366 14.581 -1.024 1367 HA PHE 88 HA PHE 88 0.151 17.360 -1.646 1368 HB2 PHE 88 2HB PHE 88 -1.705 15.562 -0.047 1369 HB3 PHE 88 1HB PHE 88 -2.058 17.250 -0.411 1370 HD1 PHE 88 1HD PHE 88 -1.913 17.957 -2.918 1371 HD2 PHE 88 2HD PHE 88 -2.310 13.896 -1.586 1372 HE1 PHE 88 1HE PHE 88 -2.785 17.310 -5.148 1373 HE2 PHE 88 2HE PHE 88 -3.165 13.244 -3.819 1374 HZ PHE 88 HZ PHE 88 -3.405 14.952 -5.601 1375 H PHE 89 H PHE 89 0.853 15.578 1.336 1376 HA PHE 89 HA PHE 89 0.491 17.756 3.104 1377 HB2 PHE 89 2HB PHE 89 0.723 15.392 3.820 1378 HB3 PHE 89 1HB PHE 89 2.431 15.453 3.382 1379 HD1 PHE 89 2HD PHE 89 -0.150 16.808 5.670 1380 HD2 PHE 89 1HD PHE 89 4.041 16.610 4.750 1381 HE1 PHE 89 2HE PHE 89 0.382 17.809 7.877 1382 HE2 PHE 89 1HE PHE 89 4.572 17.610 6.956 1383 HZ PHE 89 HZ PHE 89 2.743 18.209 8.520 1384 H TRP 90 H TRP 90 3.641 16.447 1.904 1385 HA TRP 90 HA TRP 90 5.048 18.805 2.755 1386 HB2 TRP 90 2HB TRP 90 6.213 16.649 2.500 1387 HB3 TRP 90 1HB TRP 90 5.960 16.741 0.750 1388 HD1 TRP 90 HD TRP 90 6.961 18.970 -0.469 1389 HE1 TRP 90 1HE TRP 90 9.098 20.289 0.011 1390 HE3 TRP 90 3HE TRP 90 7.918 17.340 4.266 1391 HZ2 TRP 90 2HZ TRP 90 11.004 20.606 2.138 1392 HZ3 TRP 90 3HZ TRP 90 9.905 18.165 5.497 1393 HH2 TRP 90 HH TRP 90 11.447 19.793 4.440 1394 H GLU 91 H GLU 91 3.876 17.631 -0.318 1395 HA GLU 91 HA GLU 91 4.645 20.117 -1.662 1396 HB2 GLU 91 2HB GLU 91 3.801 17.395 -2.646 1397 HB3 GLU 91 1HB GLU 91 3.891 18.742 -3.711 1398 HG2 GLU 91 2HG GLU 91 6.134 17.608 -2.024 1399 HG3 GLU 91 1HG GLU 91 5.958 17.411 -3.761 1400 H ASN 92 H ASN 92 3.152 21.298 -2.920 1401 HA ASN 92 HA ASN 92 1.150 22.339 -3.340 1402 HB2 ASN 92 2HB ASN 92 -0.037 19.614 -2.768 1403 HB3 ASN 92 1HB ASN 92 -0.805 20.931 -3.653 1404 HD21 ASN 92 1HD2 ASN 92 1.374 21.789 -5.267 1405 HD22 ASN 92 2HD2 ASN 92 1.791 20.535 -6.332 1406 H SER 93 H SER 93 2.159 22.674 -0.783 1407 HA SER 93 HA SER 93 0.365 22.100 1.315 1408 HB2 SER 93 2HB SER 93 2.586 22.809 1.862 1409 HB3 SER 93 1HB SER 93 2.401 24.303 0.947 1410 HG SER 93 HG SER 93 0.707 23.624 3.109 1411 H1 HCS 201 1HT CHC 85 -2.582 -10.881 10.491 1412 H2 HCS 201 2HT CHC 85 -2.873 -10.687 8.829 1413 H HCS 201 3HT CHC 85 -1.382 -10.217 9.494 1414 HCA HCS 201 HH CHC 85 -2.271 -13.012 9.726 1415 HB2 HCS 201 1HZ CHC 85 -2.509 -12.500 7.352 1416 HB3 HCS 201 2HZ CHC 85 -1.054 -13.467 7.591 1417 HG2 HCS 201 1HE CHC 85 0.332 -11.454 7.516 1418 HG3 HCS 201 2HE CHC 85 -1.105 -10.440 7.391 1419 H1 HCS 201 1HT CHC 85 0.445 12.193 9.290 1420 H2 HCS 201 2HT CHC 85 1.081 11.786 7.767 1421 H HCS 201 3HT CHC 85 -0.525 11.387 8.154 1422 HCA HCS 201 HH CHC 85 0.334 14.200 8.204 1423 HB2 HCS 201 1HZ CHC 85 1.064 13.387 6.023 1424 HB3 HCS 201 2HZ CHC 85 -0.396 14.357 5.819 1425 HG2 HCS 201 1HE CHC 85 -1.761 12.331 5.714 1426 HG3 HCS 201 2HE CHC 85 -0.344 11.330 6.031 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -13.147 3.058 14.268 2 HA2 GLY 1 2HA GLY 1 -12.092 2.055 12.313 3 HA3 GLY 1 1HA GLY 1 -13.115 3.371 11.742 4 H SER 2 H SER 2 -12.086 4.427 10.174 5 HA SER 2 HA SER 2 -10.332 5.257 8.894 6 HB2 SER 2 2HB SER 2 -9.765 6.489 11.595 7 HB3 SER 2 1HB SER 2 -9.165 7.085 10.051 8 HG SER 2 HG SER 2 -11.916 6.690 10.600 9 H GLU 3 H GLU 3 -9.753 2.711 10.556 10 HA GLU 3 HA GLU 3 -7.059 2.780 11.380 11 HB2 GLU 3 2HB GLU 3 -8.738 0.489 10.337 12 HB3 GLU 3 1HB GLU 3 -7.152 0.300 11.080 13 HG2 GLU 3 2HG GLU 3 -7.989 1.402 13.122 14 HG3 GLU 3 1HG GLU 3 -9.586 1.529 12.388 15 H LEU 4 H LEU 4 -8.536 2.171 8.207 16 HA LEU 4 HA LEU 4 -6.199 1.236 6.912 17 HB2 LEU 4 2HB LEU 4 -8.658 1.347 6.050 18 HB3 LEU 4 1HB LEU 4 -8.248 2.990 5.566 19 HG LEU 4 HG LEU 4 -6.701 0.511 4.754 20 HD11 LEU 4 1HD1 LEU 4 -8.367 2.117 2.847 21 HD12 LEU 4 2HD1 LEU 4 -9.124 0.875 3.842 22 HD13 LEU 4 3HD1 LEU 4 -7.822 0.446 2.733 23 HD21 LEU 4 3HD2 LEU 4 -5.142 2.125 4.427 24 HD22 LEU 4 1HD2 LEU 4 -6.323 3.420 4.243 25 HD23 LEU 4 2HD2 LEU 4 -6.009 2.312 2.909 26 H GLU 5 H GLU 5 -7.530 4.443 7.551 27 HA GLU 5 HA GLU 5 -5.656 5.991 6.108 28 HB2 GLU 5 2HB GLU 5 -7.909 6.654 7.301 29 HB3 GLU 5 1HB GLU 5 -6.869 6.934 8.691 30 HG2 GLU 5 2HG GLU 5 -6.336 8.152 5.969 31 HG3 GLU 5 1HG GLU 5 -7.278 8.960 7.216 32 H THR 6 H THR 6 -5.733 4.730 9.408 33 HA THR 6 HA THR 6 -3.406 5.994 10.373 34 HB THR 6 HB THR 6 -4.457 3.250 11.119 35 HG1 THR 6 1HG THR 6 -5.572 5.642 11.345 36 HG21 THR 6 3HG2 THR 6 -2.183 3.795 11.941 37 HG22 THR 6 1HG2 THR 6 -3.351 3.701 13.259 38 HG23 THR 6 2HG2 THR 6 -2.814 5.273 12.666 39 H ALA 7 H ALA 7 -3.984 3.021 8.591 40 HA ALA 7 HA ALA 7 -1.344 2.008 8.651 41 HB1 ALA 7 1HB ALA 7 -3.528 0.862 7.867 42 HB2 ALA 7 2HB ALA 7 -2.058 0.512 6.965 43 HB3 ALA 7 3HB ALA 7 -3.230 1.660 6.325 44 H MET 8 H MET 8 -3.045 4.149 6.381 45 HA MET 8 HA MET 8 -0.969 4.424 4.471 46 HB2 MET 8 2HB MET 8 -3.135 6.358 5.369 47 HB3 MET 8 1HB MET 8 -2.124 6.599 3.944 48 HG2 MET 8 2HG MET 8 -2.943 4.471 2.997 49 HG3 MET 8 1HG MET 8 -3.955 4.228 4.405 50 HE1 MET 8 3HE MET 8 -3.212 6.002 1.235 51 HE2 MET 8 1HE MET 8 -3.219 7.512 2.156 52 HE3 MET 8 2HE MET 8 -4.486 7.188 0.977 53 H GLU 9 H GLU 9 -1.711 6.157 7.460 54 HA GLU 9 HA GLU 9 0.371 8.070 7.268 55 HB2 GLU 9 2HB GLU 9 -1.086 6.962 9.678 56 HB3 GLU 9 1HB GLU 9 0.029 8.327 9.731 57 HG2 GLU 9 2HG GLU 9 -1.382 9.519 8.074 58 HG3 GLU 9 1HG GLU 9 -2.516 8.172 8.090 59 H THR 10 H THR 10 0.206 4.766 8.551 60 HA THR 10 HA THR 10 2.712 4.839 9.858 61 HB THR 10 HB THR 10 1.330 2.456 8.622 62 HG1 THR 10 1HG THR 10 0.420 4.006 10.440 63 HG21 THR 10 3HG2 THR 10 2.601 1.226 10.380 64 HG22 THR 10 1HG2 THR 10 3.408 2.734 10.812 65 HG23 THR 10 2HG2 THR 10 3.664 2.024 9.217 66 H LEU 11 H LEU 11 1.731 3.913 6.545 67 HA LEU 11 HA LEU 11 4.312 3.071 5.730 68 HB2 LEU 11 2HB LEU 11 2.237 4.426 3.992 69 HB3 LEU 11 1HB LEU 11 3.540 3.380 3.447 70 HG LEU 11 HG LEU 11 1.126 2.588 5.084 71 HD11 LEU 11 1HD1 LEU 11 0.678 2.816 2.714 72 HD12 LEU 11 2HD1 LEU 11 0.707 1.103 3.136 73 HD13 LEU 11 3HD1 LEU 11 2.091 1.834 2.323 74 HD21 LEU 11 3HD2 LEU 11 2.153 0.232 4.674 75 HD22 LEU 11 1HD2 LEU 11 2.765 1.207 6.010 76 HD23 LEU 11 2HD2 LEU 11 3.672 1.102 4.490 77 H ILE 12 H ILE 12 2.672 6.212 5.677 78 HA ILE 12 HA ILE 12 4.781 7.614 4.397 79 HB ILE 12 HB ILE 12 2.688 8.619 6.330 80 HG12 ILE 12 2HG1 ILE 12 2.832 8.808 3.310 81 HG13 ILE 12 1HG1 ILE 12 1.913 7.574 4.150 82 HG21 ILE 12 1HG2 ILE 12 4.640 10.073 4.527 83 HG22 ILE 12 2HG2 ILE 12 4.513 10.194 6.283 84 HG23 ILE 12 3HG2 ILE 12 3.229 10.837 5.258 85 HD11 ILE 12 3HD1 ILE 12 0.380 9.131 5.009 86 HD12 ILE 12 1HD1 ILE 12 0.708 9.768 3.395 87 HD13 ILE 12 2HD1 ILE 12 1.499 10.479 4.804 88 H ASN 13 H ASN 13 4.090 7.108 7.842 89 HA ASN 13 HA ASN 13 6.190 8.674 8.841 90 HB2 ASN 13 2HB ASN 13 4.812 6.263 10.015 91 HB3 ASN 13 1HB ASN 13 5.909 7.314 10.911 92 HD21 ASN 13 1HD2 ASN 13 3.164 7.052 11.677 93 HD22 ASN 13 2HD2 ASN 13 2.385 8.532 11.386 94 H VAL 14 H VAL 14 6.172 5.191 7.983 95 HA VAL 14 HA VAL 14 8.848 4.868 8.961 96 HB VAL 14 HB VAL 14 8.821 2.629 8.066 97 HG11 VAL 14 1HG1 VAL 14 5.999 2.968 8.991 98 HG12 VAL 14 2HG1 VAL 14 7.303 3.464 10.067 99 HG13 VAL 14 3HG1 VAL 14 7.216 1.798 9.496 100 HG21 VAL 14 3HG2 VAL 14 6.670 1.864 6.869 101 HG22 VAL 14 1HG2 VAL 14 7.845 2.764 5.911 102 HG23 VAL 14 2HG2 VAL 14 6.401 3.560 6.520 103 H PHE 15 H PHE 15 7.488 5.426 5.689 104 HA PHE 15 HA PHE 15 9.960 5.145 4.327 105 HB2 PHE 15 2HB PHE 15 7.856 5.304 3.094 106 HB3 PHE 15 1HB PHE 15 7.620 6.957 3.674 107 HD1 PHE 15 1HD PHE 15 10.007 4.804 1.747 108 HD2 PHE 15 2HD PHE 15 8.606 8.776 2.585 109 HE1 PHE 15 1HE PHE 15 11.439 5.707 -0.063 110 HE2 PHE 15 2HE PHE 15 10.032 9.668 0.766 111 HZ PHE 15 HZ PHE 15 11.450 8.130 -0.561 112 H HIS 16 H HIS 16 8.351 7.951 5.761 113 HA HIS 16 HA HIS 16 10.430 9.784 5.195 114 HB2 HIS 16 2HB HIS 16 8.119 10.481 5.817 115 HB3 HIS 16 1HB HIS 16 8.412 9.882 7.450 116 HD1 HIS 16 1HD HIS 16 10.120 12.280 5.009 117 HD2 HIS 16 2HD HIS 16 9.413 11.852 9.095 118 HE1 HIS 16 1HE HIS 16 11.098 14.332 6.125 119 HE2 HIS 16 2HE HIS 16 10.674 14.086 8.617 120 H ALA 17 H ALA 17 9.847 7.555 7.835 121 HA ALA 17 HA ALA 17 11.722 8.581 9.623 122 HB1 ALA 17 1HB ALA 17 11.802 6.373 10.591 123 HB2 ALA 17 2HB ALA 17 11.248 5.623 9.087 124 HB3 ALA 17 3HB ALA 17 10.149 6.634 10.042 125 H HIS 18 H HIS 18 12.157 6.099 7.070 126 HA HIS 18 HA HIS 18 15.026 6.183 7.570 127 HB2 HIS 18 2HB HIS 18 13.305 4.658 5.657 128 HB3 HIS 18 1HB HIS 18 15.066 4.637 5.529 129 HD1 HIS 18 1HD HIS 18 12.425 4.139 8.241 130 HD2 HIS 18 2HD HIS 18 16.253 2.837 7.243 131 HE1 HIS 18 1HE HIS 18 13.084 2.439 10.001 132 HE2 HIS 18 2HE HIS 18 15.418 1.634 9.404 133 H SER 19 H SER 19 13.072 7.163 4.659 134 HA SER 19 HA SER 19 15.311 8.057 3.244 135 HB2 SER 19 2HB SER 19 13.025 7.889 2.247 136 HB3 SER 19 1HB SER 19 12.589 9.360 3.111 137 HG SER 19 HG SER 19 14.944 9.692 1.826 138 H GLY 20 H GLY 20 13.200 9.685 5.571 139 HA2 GLY 20 2HA GLY 20 14.416 12.250 5.515 140 HA3 GLY 20 1HA GLY 20 13.379 11.627 6.764 141 H LYS 21 H LYS 21 14.813 9.469 7.689 142 HA LYS 21 HA LYS 21 16.596 10.707 9.477 143 HB2 LYS 21 2HB LYS 21 15.480 8.617 9.956 144 HB3 LYS 21 1HB LYS 21 16.418 7.790 8.712 145 HG2 LYS 21 2HG LYS 21 18.474 8.346 9.998 146 HG3 LYS 21 1HG LYS 21 17.471 9.112 11.225 147 HD2 LYS 21 2HD LYS 21 17.926 6.827 11.917 148 HD3 LYS 21 1HD LYS 21 16.226 6.963 11.494 149 HE2 LYS 21 2HE LYS 21 18.004 6.234 9.240 150 HE3 LYS 21 1HE LYS 21 17.905 5.026 10.523 151 HZ1 LYS 21 3HZ LYS 21 15.661 4.752 10.218 152 HZ2 LYS 21 1HZ LYS 21 16.169 5.028 8.625 153 HZ3 LYS 21 2HZ LYS 21 15.445 6.282 9.514 154 H GLU 22 H GLU 22 17.357 8.895 6.456 155 HA GLU 22 HA GLU 22 20.107 9.990 6.725 156 HB2 GLU 22 2HB GLU 22 19.328 7.244 5.799 157 HB3 GLU 22 1HB GLU 22 20.947 7.916 5.617 158 HG2 GLU 22 2HG GLU 22 19.471 7.551 8.223 159 HG3 GLU 22 1HG GLU 22 20.751 6.505 7.640 160 H GLY 23 H GLY 23 21.245 10.518 4.903 161 HA2 GLY 23 2HA GLY 23 21.593 11.359 2.805 162 HA3 GLY 23 1HA GLY 23 20.620 10.004 2.257 163 H ASP 24 H ASP 24 19.323 10.772 0.784 164 HA ASP 24 HA ASP 24 18.147 13.407 0.905 165 HB2 ASP 24 2HB ASP 24 18.864 12.361 -1.232 166 HB3 ASP 24 1HB ASP 24 17.611 11.148 -1.017 167 H LYS 25 H LYS 25 16.313 13.906 1.814 168 HA LYS 25 HA LYS 25 14.843 12.172 3.379 169 HB2 LYS 25 2HB LYS 25 13.951 14.795 2.188 170 HB3 LYS 25 1HB LYS 25 13.195 13.977 3.561 171 HG2 LYS 25 2HG LYS 25 15.454 14.068 4.755 172 HG3 LYS 25 1HG LYS 25 16.033 15.102 3.452 173 HD2 LYS 25 2HD LYS 25 13.605 15.715 5.168 174 HD3 LYS 25 1HD LYS 25 15.212 16.389 5.434 175 HE2 LYS 25 2HE LYS 25 14.949 17.032 2.845 176 HE3 LYS 25 1HE LYS 25 13.238 16.986 3.275 177 HZ1 LYS 25 3HZ LYS 25 13.449 18.727 4.693 178 HZ2 LYS 25 1HZ LYS 25 14.683 19.136 3.604 179 HZ3 LYS 25 2HZ LYS 25 15.068 18.382 5.077 180 H TYR 26 H TYR 26 14.325 12.998 0.005 181 HA TYR 26 HA TYR 26 11.795 11.478 0.045 182 HB2 TYR 26 2HB TYR 26 12.914 13.335 -2.061 183 HB3 TYR 26 1HB TYR 26 11.312 12.588 -2.071 184 HD1 TYR 26 2HD TYR 26 9.683 13.116 -0.216 185 HD2 TYR 26 1HD TYR 26 13.366 15.263 -0.743 186 HE1 TYR 26 2HE TYR 26 8.834 14.932 1.245 187 HE2 TYR 26 1HE TYR 26 12.519 17.076 0.719 188 HH TYR 26 HH TYR 26 10.404 16.912 2.796 189 H LYS 27 H LYS 27 14.714 10.360 -0.170 190 HA LYS 27 HA LYS 27 13.978 8.505 -2.327 191 HB2 LYS 27 2HB LYS 27 15.505 10.311 -3.323 192 HB3 LYS 27 1HB LYS 27 16.767 9.609 -2.327 193 HG2 LYS 27 2HG LYS 27 16.981 8.494 -4.399 194 HG3 LYS 27 1HG LYS 27 16.113 7.370 -3.355 195 HD2 LYS 27 2HD LYS 27 14.026 7.817 -4.407 196 HD3 LYS 27 1HD LYS 27 14.609 9.273 -5.180 197 HE2 LYS 27 2HE LYS 27 16.198 7.820 -6.490 198 HE3 LYS 27 1HE LYS 27 15.350 6.419 -5.824 199 HZ1 LYS 27 3HZ LYS 27 14.639 7.912 -8.034 200 HZ2 LYS 27 1HZ LYS 27 13.510 8.315 -6.834 201 HZ3 LYS 27 2HZ LYS 27 13.728 6.690 -7.281 202 H LEU 28 H LEU 28 14.608 6.432 -1.953 203 HA LEU 28 HA LEU 28 15.922 5.997 0.650 204 HB2 LEU 28 2HB LEU 28 13.537 5.222 0.052 205 HB3 LEU 28 1HB LEU 28 14.306 4.050 -0.960 206 HG LEU 28 HG LEU 28 15.454 3.042 0.953 207 HD11 LEU 28 1HD1 LEU 28 14.438 3.787 3.262 208 HD12 LEU 28 2HD1 LEU 28 14.166 5.327 2.457 209 HD13 LEU 28 3HD1 LEU 28 15.800 4.679 2.604 210 HD21 LEU 28 3HD2 LEU 28 12.462 3.434 1.385 211 HD22 LEU 28 1HD2 LEU 28 13.416 2.132 2.079 212 HD23 LEU 28 2HD2 LEU 28 13.188 2.229 0.328 213 H SER 29 H SER 29 17.903 5.062 0.701 214 HA SER 29 HA SER 29 19.024 4.025 -1.818 215 HB2 SER 29 2HB SER 29 21.203 4.456 -0.850 216 HB3 SER 29 1HB SER 29 20.205 5.900 -0.709 217 HG SER 29 HG SER 29 20.006 5.570 1.411 218 H LYS 30 H LYS 30 20.640 2.211 -1.579 219 HA LYS 30 HA LYS 30 19.422 -0.116 -0.734 220 HB2 LYS 30 2HB LYS 30 21.417 0.014 -2.205 221 HB3 LYS 30 1HB LYS 30 22.391 0.389 -0.784 222 HG2 LYS 30 2HG LYS 30 21.623 -1.778 0.244 223 HG3 LYS 30 1HG LYS 30 20.802 -2.146 -1.271 224 HD2 LYS 30 2HD LYS 30 22.965 -3.216 -1.316 225 HD3 LYS 30 1HD LYS 30 23.005 -1.865 -2.450 226 HE2 LYS 30 2HE LYS 30 24.475 -0.657 -1.162 227 HE3 LYS 30 1HE LYS 30 23.799 -1.240 0.365 228 HZ1 LYS 30 3HZ LYS 30 25.469 -2.668 0.464 229 HZ2 LYS 30 1HZ LYS 30 26.045 -2.192 -1.059 230 HZ3 LYS 30 2HZ LYS 30 24.894 -3.437 -0.938 231 H LYS 31 H LYS 31 21.950 1.705 0.972 232 HA LYS 31 HA LYS 31 22.172 -0.046 3.135 233 HB2 LYS 31 2HB LYS 31 23.297 1.770 4.261 234 HB3 LYS 31 1HB LYS 31 23.727 1.845 2.551 235 HG2 LYS 31 2HG LYS 31 21.862 3.513 2.236 236 HG3 LYS 31 1HG LYS 31 21.666 3.524 3.988 237 HD2 LYS 31 2HD LYS 31 24.038 4.089 4.189 238 HD3 LYS 31 1HD LYS 31 24.112 4.348 2.454 239 HE2 LYS 31 2HE LYS 31 22.270 6.018 2.685 240 HE3 LYS 31 1HE LYS 31 22.325 5.798 4.434 241 HZ1 LYS 31 3HZ LYS 31 24.830 6.318 4.092 242 HZ2 LYS 31 1HZ LYS 31 23.704 7.585 4.154 243 HZ3 LYS 31 2HZ LYS 31 24.298 7.050 2.655 244 H GLU 32 H GLU 32 20.268 2.919 2.731 245 HA GLU 32 HA GLU 32 19.045 2.898 5.261 246 HB2 GLU 32 2HB GLU 32 17.974 3.987 2.646 247 HB3 GLU 32 1HB GLU 32 17.337 4.369 4.245 248 HG2 GLU 32 2HG GLU 32 19.571 5.254 4.881 249 HG3 GLU 32 1HG GLU 32 20.128 4.959 3.245 250 H LEU 33 H LEU 33 17.670 1.623 2.128 251 HA LEU 33 HA LEU 33 15.303 0.764 3.400 252 HB2 LEU 33 2HB LEU 33 15.014 -0.858 1.497 253 HB3 LEU 33 1HB LEU 33 15.112 0.827 1.082 254 HG LEU 33 HG LEU 33 17.765 0.063 0.911 255 HD11 LEU 33 1HD1 LEU 33 17.807 -1.991 -0.438 256 HD12 LEU 33 2HD1 LEU 33 16.061 -2.137 -0.338 257 HD13 LEU 33 3HD1 LEU 33 17.051 -2.346 1.111 258 HD21 LEU 33 3HD2 LEU 33 15.520 0.434 -1.085 259 HD22 LEU 33 1HD2 LEU 33 17.128 0.002 -1.654 260 HD23 LEU 33 2HD2 LEU 33 16.880 1.500 -0.752 261 H LYS 34 H LYS 34 18.434 -0.777 3.008 262 HA LYS 34 HA LYS 34 17.640 -3.325 3.841 263 HB2 LYS 34 2HB LYS 34 19.943 -2.735 3.053 264 HB3 LYS 34 1HB LYS 34 20.209 -1.892 4.578 265 HG2 LYS 34 2HG LYS 34 21.159 -4.041 4.910 266 HG3 LYS 34 1HG LYS 34 19.595 -4.120 5.720 267 HD2 LYS 34 2HD LYS 34 18.606 -5.290 3.847 268 HD3 LYS 34 1HD LYS 34 20.042 -5.030 2.869 269 HE2 LYS 34 2HE LYS 34 20.591 -7.133 3.571 270 HE3 LYS 34 1HE LYS 34 21.110 -6.312 5.044 271 HZ1 LYS 34 3HZ LYS 34 18.673 -7.853 4.527 272 HZ2 LYS 34 1HZ LYS 34 18.587 -6.567 5.629 273 HZ3 LYS 34 2HZ LYS 34 19.678 -7.842 5.897 274 H GLU 35 H GLU 35 18.241 -0.315 5.624 275 HA GLU 35 HA GLU 35 18.017 -1.579 8.202 276 HB2 GLU 35 2HB GLU 35 17.922 1.311 7.345 277 HB3 GLU 35 1HB GLU 35 17.895 0.775 9.025 278 HG2 GLU 35 2HG GLU 35 20.046 -0.411 8.654 279 HG3 GLU 35 1HG GLU 35 20.081 0.206 7.003 280 H LEU 36 H LEU 36 15.752 0.265 6.127 281 HA LEU 36 HA LEU 36 13.714 0.459 8.085 282 HB2 LEU 36 2HB LEU 36 13.957 1.708 5.831 283 HB3 LEU 36 1HB LEU 36 13.156 0.307 5.130 284 HG LEU 36 HG LEU 36 12.016 1.998 7.400 285 HD11 LEU 36 1HD1 LEU 36 10.990 3.323 5.891 286 HD12 LEU 36 2HD1 LEU 36 10.634 1.991 4.797 287 HD13 LEU 36 3HD1 LEU 36 12.215 2.756 4.759 288 HD21 LEU 36 3HD2 LEU 36 9.897 0.713 6.435 289 HD22 LEU 36 1HD2 LEU 36 10.917 -0.006 7.669 290 HD23 LEU 36 2HD2 LEU 36 11.111 -0.478 5.985 291 H LEU 37 H LEU 37 14.205 -1.999 5.472 292 HA LEU 37 HA LEU 37 11.812 -3.394 6.124 293 HB2 LEU 37 2HB LEU 37 14.320 -4.320 4.720 294 HB3 LEU 37 1HB LEU 37 12.951 -5.385 5.007 295 HG LEU 37 HG LEU 37 13.074 -4.143 2.730 296 HD11 LEU 37 1HD1 LEU 37 11.059 -5.341 3.734 297 HD12 LEU 37 2HD1 LEU 37 10.687 -4.072 2.569 298 HD13 LEU 37 3HD1 LEU 37 10.510 -3.761 4.296 299 HD21 LEU 37 3HD2 LEU 37 11.901 -1.919 4.399 300 HD22 LEU 37 1HD2 LEU 37 12.239 -1.898 2.673 301 HD23 LEU 37 2HD2 LEU 37 13.561 -1.927 3.829 302 H GLN 38 H GLN 38 15.171 -3.803 7.238 303 HA GLN 38 HA GLN 38 14.662 -6.097 8.809 304 HB2 GLN 38 2HB GLN 38 16.772 -3.952 9.086 305 HB3 GLN 38 1HB GLN 38 16.743 -5.436 10.037 306 HG2 GLN 38 2HG GLN 38 16.869 -6.781 7.994 307 HG3 GLN 38 1HG GLN 38 16.831 -5.326 7.003 308 HE21 GLN 38 1HE2 GLN 38 19.036 -7.210 6.968 309 HE22 GLN 38 2HE2 GLN 38 20.404 -6.405 7.566 310 H THR 39 H THR 39 14.422 -2.638 9.528 311 HA THR 39 HA THR 39 13.907 -3.017 12.312 312 HB THR 39 HB THR 39 13.236 -0.664 12.304 313 HG1 THR 39 1HG THR 39 13.020 -1.206 9.600 314 HG21 THR 39 3HG2 THR 39 15.393 0.046 10.763 315 HG22 THR 39 1HG2 THR 39 15.750 -1.647 11.105 316 HG23 THR 39 2HG2 THR 39 15.501 -0.512 12.431 317 H GLU 40 H GLU 40 11.852 -2.862 9.440 318 HA GLU 40 HA GLU 40 9.477 -3.017 11.175 319 HB2 GLU 40 2HB GLU 40 9.760 -2.433 8.232 320 HB3 GLU 40 1HB GLU 40 8.224 -2.588 9.074 321 HG2 GLU 40 2HG GLU 40 10.394 -0.609 9.809 322 HG3 GLU 40 1HG GLU 40 8.947 -0.218 8.882 323 H LEU 41 H LEU 41 10.541 -4.583 8.112 324 HA LEU 41 HA LEU 41 8.854 -6.885 8.830 325 HB2 LEU 41 2HB LEU 41 10.285 -6.341 6.223 326 HB3 LEU 41 1HB LEU 41 9.080 -7.584 6.521 327 HG LEU 41 HG LEU 41 8.638 -4.583 6.543 328 HD11 LEU 41 1HD1 LEU 41 7.496 -4.889 4.531 329 HD12 LEU 41 2HD1 LEU 41 7.194 -6.598 4.847 330 HD13 LEU 41 3HD1 LEU 41 8.803 -6.062 4.373 331 HD21 LEU 41 3HD2 LEU 41 6.163 -5.420 6.726 332 HD22 LEU 41 1HD2 LEU 41 7.126 -5.307 8.195 333 HD23 LEU 41 2HD2 LEU 41 6.874 -6.874 7.417 334 H SER 42 H SER 42 9.591 -8.932 9.088 335 HA SER 42 HA SER 42 12.544 -9.230 9.186 336 HB2 SER 42 2HB SER 42 12.311 -10.678 11.029 337 HB3 SER 42 1HB SER 42 11.190 -9.361 11.362 338 HG SER 42 HG SER 42 10.182 -11.365 11.673 339 H GLY 43 H GLY 43 9.650 -11.300 8.946 340 HA2 GLY 43 2HA GLY 43 10.905 -13.489 7.768 341 HA3 GLY 43 1HA GLY 43 9.189 -13.143 7.674 342 H PHE 44 H PHE 44 9.366 -10.697 6.118 343 HA PHE 44 HA PHE 44 9.395 -11.840 3.548 344 HB2 PHE 44 2HB PHE 44 9.506 -8.960 4.436 345 HB3 PHE 44 1HB PHE 44 9.344 -9.449 2.748 346 HD1 PHE 44 1HD PHE 44 7.339 -10.633 1.959 347 HD2 PHE 44 2HD PHE 44 7.681 -9.288 6.024 348 HE1 PHE 44 1HE PHE 44 4.904 -10.973 2.279 349 HE2 PHE 44 2HE PHE 44 5.247 -9.623 6.341 350 HZ PHE 44 HZ PHE 44 3.858 -10.467 4.469 351 H LEU 45 H LEU 45 11.822 -9.635 5.009 352 HA LEU 45 HA LEU 45 13.603 -9.968 2.767 353 HB2 LEU 45 2HB LEU 45 13.629 -8.442 5.301 354 HB3 LEU 45 1HB LEU 45 15.213 -9.011 4.795 355 HG LEU 45 HG LEU 45 14.541 -6.719 3.924 356 HD11 LEU 45 1HD1 LEU 45 15.080 -7.768 1.409 357 HD12 LEU 45 2HD1 LEU 45 15.670 -9.037 2.491 358 HD13 LEU 45 3HD1 LEU 45 16.281 -7.388 2.641 359 HD21 LEU 45 3HD2 LEU 45 12.157 -7.963 3.247 360 HD22 LEU 45 1HD2 LEU 45 13.005 -7.909 1.698 361 HD23 LEU 45 2HD2 LEU 45 12.721 -6.425 2.599 362 H ASP 46 H ASP 46 13.370 -11.328 5.990 363 HA ASP 46 HA ASP 46 15.780 -12.745 5.966 364 HB2 ASP 46 2HB ASP 46 14.379 -12.340 7.984 365 HB3 ASP 46 1HB ASP 46 13.225 -13.529 7.383 366 H ALA 47 H ALA 47 12.632 -13.538 4.635 367 HA ALA 47 HA ALA 47 12.919 -16.290 4.304 368 HB1 ALA 47 1HB ALA 47 11.415 -14.211 2.721 369 HB2 ALA 47 2HB ALA 47 10.783 -15.334 3.928 370 HB3 ALA 47 3HB ALA 47 11.312 -15.934 2.356 371 H GLN 48 H GLN 48 14.139 -13.653 2.301 372 HA GLN 48 HA GLN 48 14.831 -15.225 0.055 373 HB2 GLN 48 2HB GLN 48 16.220 -12.720 1.046 374 HB3 GLN 48 1HB GLN 48 16.363 -13.433 -0.560 375 HG2 GLN 48 2HG GLN 48 13.861 -12.241 0.671 376 HG3 GLN 48 1HG GLN 48 14.776 -11.615 -0.689 377 HE21 GLN 48 1HE2 GLN 48 12.013 -13.301 0.017 378 HE22 GLN 48 2HE2 GLN 48 11.847 -14.178 -1.432 379 H LYS 49 H LYS 49 16.414 -14.586 3.094 380 HA LYS 49 HA LYS 49 18.144 -15.607 4.178 381 HB2 LYS 49 2HB LYS 49 17.042 -17.697 3.391 382 HB3 LYS 49 1HB LYS 49 18.061 -17.651 1.952 383 HG2 LYS 49 2HG LYS 49 20.078 -17.681 3.399 384 HG3 LYS 49 1HG LYS 49 19.037 -17.804 4.817 385 HD2 LYS 49 2HD LYS 49 18.061 -19.902 3.850 386 HD3 LYS 49 1HD LYS 49 19.251 -19.805 2.551 387 HE2 LYS 49 2HE LYS 49 20.219 -21.262 4.165 388 HE3 LYS 49 1HE LYS 49 21.029 -19.713 4.401 389 HZ1 LYS 49 3HZ LYS 49 19.713 -19.243 6.270 390 HZ2 LYS 49 1HZ LYS 49 20.194 -20.858 6.464 391 HZ3 LYS 49 2HZ LYS 49 18.620 -20.499 5.933 392 H ASP 50 H ASP 50 18.517 -15.074 0.711 393 HA ASP 50 HA ASP 50 21.368 -15.270 0.720 394 HB2 ASP 50 2HB ASP 50 19.496 -13.903 -1.214 395 HB3 ASP 50 1HB ASP 50 21.237 -14.080 -1.451 396 H VAL 51 H VAL 51 22.918 -13.720 0.868 397 HA VAL 51 HA VAL 51 22.306 -11.403 2.447 398 HB VAL 51 HB VAL 51 24.652 -10.976 2.469 399 HG11 VAL 51 1HG1 VAL 51 23.614 -13.280 3.390 400 HG12 VAL 51 2HG1 VAL 51 25.325 -12.884 3.547 401 HG13 VAL 51 3HG1 VAL 51 24.783 -13.946 2.248 402 HG21 VAL 51 3HG2 VAL 51 26.197 -12.262 0.943 403 HG22 VAL 51 1HG2 VAL 51 25.175 -11.091 0.115 404 HG23 VAL 51 2HG2 VAL 51 24.779 -12.807 0.052 405 H ASP 52 H ASP 52 22.820 -12.041 -0.942 406 HA ASP 52 HA ASP 52 23.020 -9.222 -1.645 407 HB2 ASP 52 2HB ASP 52 22.906 -11.739 -3.320 408 HB3 ASP 52 1HB ASP 52 23.054 -10.115 -3.987 409 H ALA 53 H ALA 53 20.566 -11.024 -0.610 410 HA ALA 53 HA ALA 53 18.534 -10.856 -2.514 411 HB1 ALA 53 1HB ALA 53 18.250 -10.545 0.479 412 HB2 ALA 53 2HB ALA 53 18.405 -12.089 -0.356 413 HB3 ALA 53 3HB ALA 53 16.998 -11.062 -0.650 414 H VAL 54 H VAL 54 19.666 -8.446 -0.161 415 HA VAL 54 HA VAL 54 17.599 -6.569 -0.538 416 HB VAL 54 HB VAL 54 19.410 -6.481 1.223 417 HG11 VAL 54 1HG1 VAL 54 21.580 -5.670 0.666 418 HG12 VAL 54 2HG1 VAL 54 21.070 -5.192 -0.954 419 HG13 VAL 54 3HG1 VAL 54 21.238 -6.900 -0.551 420 HG21 VAL 54 3HG2 VAL 54 18.135 -4.517 1.089 421 HG22 VAL 54 1HG2 VAL 54 18.695 -4.153 -0.544 422 HG23 VAL 54 2HG2 VAL 54 19.773 -3.916 0.829 423 H ASP 55 H ASP 55 20.687 -7.054 -2.217 424 HA ASP 55 HA ASP 55 20.488 -4.865 -3.977 425 HB2 ASP 55 2HB ASP 55 21.858 -7.532 -4.227 426 HB3 ASP 55 1HB ASP 55 22.071 -6.224 -5.390 427 H LYS 56 H LYS 56 19.432 -8.239 -4.220 428 HA LYS 56 HA LYS 56 18.458 -8.105 -6.869 429 HB2 LYS 56 2HB LYS 56 17.575 -9.828 -4.541 430 HB3 LYS 56 1HB LYS 56 17.076 -10.075 -6.215 431 HG2 LYS 56 2HG LYS 56 19.479 -10.283 -6.860 432 HG3 LYS 56 1HG LYS 56 19.915 -10.162 -5.155 433 HD2 LYS 56 2HD LYS 56 18.481 -12.155 -4.689 434 HD3 LYS 56 1HD LYS 56 18.192 -12.310 -6.423 435 HE2 LYS 56 2HE LYS 56 20.593 -12.599 -6.824 436 HE3 LYS 56 1HE LYS 56 20.924 -12.375 -5.106 437 HZ1 LYS 56 3HZ LYS 56 19.555 -14.328 -4.644 438 HZ2 LYS 56 1HZ LYS 56 20.864 -14.710 -5.652 439 HZ3 LYS 56 2HZ LYS 56 19.304 -14.556 -6.309 440 H VAL 57 H VAL 57 16.991 -7.366 -3.748 441 HA VAL 57 HA VAL 57 14.353 -6.986 -4.676 442 HB VAL 57 HB VAL 57 15.805 -5.869 -2.273 443 HG11 VAL 57 1HG1 VAL 57 12.976 -5.571 -3.246 444 HG12 VAL 57 2HG1 VAL 57 14.031 -4.364 -2.509 445 HG13 VAL 57 3HG1 VAL 57 13.304 -5.625 -1.513 446 HG21 VAL 57 3HG2 VAL 57 13.615 -7.930 -2.254 447 HG22 VAL 57 1HG2 VAL 57 14.929 -7.691 -1.100 448 HG23 VAL 57 2HG2 VAL 57 15.255 -8.423 -2.673 449 H MET 58 H MET 58 17.038 -4.657 -4.209 450 HA MET 58 HA MET 58 15.414 -2.449 -4.961 451 HB2 MET 58 2HB MET 58 17.281 -1.072 -4.799 452 HB3 MET 58 1HB MET 58 17.548 -2.328 -3.602 453 HG2 MET 58 2HG MET 58 19.494 -2.916 -4.584 454 HG3 MET 58 1HG MET 58 18.722 -3.114 -6.144 455 HE1 MET 58 3HE MET 58 18.804 0.624 -4.247 456 HE2 MET 58 1HE MET 58 20.571 0.544 -4.240 457 HE3 MET 58 2HE MET 58 19.626 -0.745 -3.498 458 H LYS 59 H LYS 59 17.376 -4.627 -6.946 459 HA LYS 59 HA LYS 59 17.603 -2.990 -9.209 460 HB2 LYS 59 2HB LYS 59 17.357 -5.974 -9.060 461 HB3 LYS 59 1HB LYS 59 17.837 -5.067 -10.496 462 HG2 LYS 59 2HG LYS 59 19.477 -4.017 -8.465 463 HG3 LYS 59 1HG LYS 59 19.413 -5.741 -8.111 464 HD2 LYS 59 2HD LYS 59 20.015 -4.592 -10.821 465 HD3 LYS 59 1HD LYS 59 21.264 -5.071 -9.669 466 HE2 LYS 59 2HE LYS 59 20.051 -6.738 -11.574 467 HE3 LYS 59 1HE LYS 59 21.053 -7.260 -10.223 468 HZ1 LYS 59 3HZ LYS 59 19.005 -8.410 -10.095 469 HZ2 LYS 59 1HZ LYS 59 18.103 -6.986 -10.276 470 HZ3 LYS 59 2HZ LYS 59 18.994 -7.253 -8.854 471 H GLU 60 H GLU 60 14.903 -5.181 -8.323 472 HA GLU 60 HA GLU 60 13.537 -4.678 -10.796 473 HB2 GLU 60 2HB GLU 60 11.749 -5.969 -9.919 474 HB3 GLU 60 1HB GLU 60 13.224 -6.717 -9.312 475 HG2 GLU 60 2HG GLU 60 12.951 -5.422 -7.192 476 HG3 GLU 60 1HG GLU 60 11.410 -4.818 -7.794 477 H LEU 61 H LEU 61 13.418 -3.308 -7.562 478 HA LEU 61 HA LEU 61 11.116 -1.705 -7.973 479 HB2 LEU 61 2HB LEU 61 13.389 -1.320 -6.023 480 HB3 LEU 61 1HB LEU 61 11.842 -0.486 -5.959 481 HG LEU 61 HG LEU 61 12.232 -3.485 -5.722 482 HD11 LEU 61 1HD1 LEU 61 12.920 -1.819 -3.810 483 HD12 LEU 61 2HD1 LEU 61 11.935 -3.225 -3.410 484 HD13 LEU 61 3HD1 LEU 61 11.179 -1.641 -3.590 485 HD21 LEU 61 3HD2 LEU 61 10.058 -3.323 -6.566 486 HD22 LEU 61 1HD2 LEU 61 9.815 -1.703 -5.900 487 HD23 LEU 61 2HD2 LEU 61 9.752 -3.110 -4.857 488 H ASP 62 H ASP 62 14.535 -1.126 -8.596 489 HA ASP 62 HA ASP 62 14.104 1.679 -8.957 490 HB2 ASP 62 2HB ASP 62 16.315 0.715 -8.368 491 HB3 ASP 62 1HB ASP 62 16.403 0.022 -9.991 492 H GLU 63 H GLU 63 12.471 1.958 -10.402 493 HA GLU 63 HA GLU 63 12.329 0.855 -13.025 494 HB2 GLU 63 2HB GLU 63 10.401 1.858 -11.956 495 HB3 GLU 63 1HB GLU 63 11.267 3.386 -11.753 496 HG2 GLU 63 2HG GLU 63 11.434 3.645 -14.165 497 HG3 GLU 63 1HG GLU 63 10.550 2.119 -14.416 498 H ASN 64 H ASN 64 13.434 3.811 -11.676 499 HA ASN 64 HA ASN 64 14.186 5.275 -13.891 500 HB2 ASN 64 2HB ASN 64 15.211 5.103 -11.112 501 HB3 ASN 64 1HB ASN 64 15.527 6.476 -12.169 502 HD21 ASN 64 1HD2 ASN 64 13.030 6.966 -13.277 503 HD22 ASN 64 2HD2 ASN 64 11.884 7.261 -12.060 504 H GLY 65 H GLY 65 15.996 2.854 -12.050 505 HA2 GLY 65 2HA GLY 65 17.877 1.632 -12.812 506 HA3 GLY 65 1HA GLY 65 18.074 2.797 -14.127 507 H ASP 66 H ASP 66 17.344 4.443 -11.415 508 HA ASP 66 HA ASP 66 19.765 5.803 -11.140 509 HB2 ASP 66 2HB ASP 66 18.652 6.861 -9.213 510 HB3 ASP 66 1HB ASP 66 17.569 6.749 -10.600 511 H GLY 67 H GLY 67 18.531 2.998 -9.426 512 HA2 GLY 67 2HA GLY 67 19.964 1.436 -8.318 513 HA3 GLY 67 1HA GLY 67 21.115 2.745 -8.035 514 H GLU 68 H GLU 68 18.295 4.139 -7.556 515 HA GLU 68 HA GLU 68 18.192 3.570 -4.662 516 HB2 GLU 68 2HB GLU 68 17.531 6.075 -6.195 517 HB3 GLU 68 1HB GLU 68 17.125 5.831 -4.507 518 HG2 GLU 68 2HG GLU 68 19.114 7.029 -4.421 519 HG3 GLU 68 1HG GLU 68 19.643 5.358 -4.195 520 H VAL 69 H VAL 69 16.148 3.668 -3.646 521 HA VAL 69 HA VAL 69 13.931 2.870 -5.411 522 HB VAL 69 HB VAL 69 14.286 2.447 -2.440 523 HG11 VAL 69 1HG1 VAL 69 11.930 2.579 -3.136 524 HG12 VAL 69 2HG1 VAL 69 12.367 0.939 -2.658 525 HG13 VAL 69 3HG1 VAL 69 12.237 1.350 -4.367 526 HG21 VAL 69 3HG2 VAL 69 14.805 0.719 -4.834 527 HG22 VAL 69 1HG2 VAL 69 14.445 0.018 -3.255 528 HG23 VAL 69 2HG2 VAL 69 15.859 1.052 -3.457 529 H ASP 70 H ASP 70 12.168 4.163 -5.550 530 HA ASP 70 HA ASP 70 12.185 6.629 -3.956 531 HB2 ASP 70 2HB ASP 70 12.130 6.816 -6.428 532 HB3 ASP 70 1HB ASP 70 10.583 6.006 -6.425 533 H PHE 71 H PHE 71 10.188 7.497 -3.176 534 HA PHE 71 HA PHE 71 8.869 5.882 -1.375 535 HB2 PHE 71 2HB PHE 71 8.934 8.442 -1.646 536 HB3 PHE 71 1HB PHE 71 7.608 8.246 -2.775 537 HD1 PHE 71 1HD PHE 71 6.741 5.706 -0.666 538 HD2 PHE 71 2HD PHE 71 7.245 9.968 -0.541 539 HE1 PHE 71 1HE PHE 71 5.129 5.840 1.199 540 HE2 PHE 71 2HE PHE 71 5.642 10.085 1.335 541 HZ PHE 71 HZ PHE 71 4.589 8.026 2.194 542 H GLN 72 H GLN 72 7.828 6.753 -4.703 543 HA GLN 72 HA GLN 72 5.350 5.362 -4.607 544 HB2 GLN 72 2HB GLN 72 7.166 6.002 -6.953 545 HB3 GLN 72 1HB GLN 72 5.518 5.387 -7.101 546 HG2 GLN 72 2HG GLN 72 4.664 7.336 -5.889 547 HG3 GLN 72 1HG GLN 72 6.289 7.952 -5.674 548 HE21 GLN 72 1HE2 GLN 72 4.368 9.521 -6.984 549 HE22 GLN 72 2HE2 GLN 72 4.768 9.633 -8.625 550 H GLU 73 H GLU 73 8.636 4.324 -5.531 551 HA GLU 73 HA GLU 73 7.943 1.736 -6.452 552 HB2 GLU 73 2HB GLU 73 10.500 2.773 -5.217 553 HB3 GLU 73 1HB GLU 73 10.350 1.232 -6.054 554 HG2 GLU 73 2HG GLU 73 9.642 2.467 -8.109 555 HG3 GLU 73 1HG GLU 73 9.908 3.986 -7.254 556 H TYR 74 H TYR 74 8.898 3.026 -3.329 557 HA TYR 74 HA TYR 74 9.013 0.633 -1.823 558 HB2 TYR 74 2HB TYR 74 9.961 2.846 -1.168 559 HB3 TYR 74 1HB TYR 74 8.321 3.447 -0.932 560 HD1 TYR 74 1HD TYR 74 10.946 1.216 0.335 561 HD2 TYR 74 2HD TYR 74 6.957 2.680 0.951 562 HE1 TYR 74 1HE TYR 74 10.968 0.311 2.640 563 HE2 TYR 74 2HE TYR 74 6.978 1.764 3.255 564 HH TYR 74 HH TYR 74 8.983 1.201 4.984 565 H VAL 75 H VAL 75 6.518 2.951 -2.518 566 HA VAL 75 HA VAL 75 4.504 1.955 -0.825 567 HB VAL 75 HB VAL 75 4.734 4.122 -2.680 568 HG11 VAL 75 1HG1 VAL 75 3.609 2.934 -4.432 569 HG12 VAL 75 2HG1 VAL 75 2.467 4.073 -3.727 570 HG13 VAL 75 3HG1 VAL 75 2.368 2.371 -3.327 571 HG21 VAL 75 3HG2 VAL 75 2.538 4.809 -1.625 572 HG22 VAL 75 1HG2 VAL 75 3.850 4.464 -0.496 573 HG23 VAL 75 2HG2 VAL 75 2.565 3.277 -0.753 574 H VAL 76 H VAL 76 5.135 1.288 -4.300 575 HA VAL 76 HA VAL 76 2.969 -0.584 -4.389 576 HB VAL 76 HB VAL 76 3.817 -1.326 -6.517 577 HG11 VAL 76 1HG1 VAL 76 4.476 1.610 -6.468 578 HG12 VAL 76 2HG1 VAL 76 2.832 1.065 -6.133 579 HG13 VAL 76 3HG1 VAL 76 3.587 0.693 -7.683 580 HG21 VAL 76 3HG2 VAL 76 5.982 -0.655 -7.382 581 HG22 VAL 76 1HG2 VAL 76 6.230 -1.443 -5.826 582 HG23 VAL 76 2HG2 VAL 76 6.290 0.310 -5.948 583 H LEU 77 H LEU 77 6.403 -0.823 -3.510 584 HA LEU 77 HA LEU 77 6.608 -3.621 -3.504 585 HB2 LEU 77 2HB LEU 77 8.562 -2.268 -3.131 586 HB3 LEU 77 1HB LEU 77 7.864 -1.561 -1.685 587 HG LEU 77 HG LEU 77 7.890 -3.811 -0.600 588 HD11 LEU 77 1HD1 LEU 77 9.336 -4.635 -3.128 589 HD12 LEU 77 2HD1 LEU 77 7.816 -5.279 -2.532 590 HD13 LEU 77 3HD1 LEU 77 9.306 -5.580 -1.648 591 HD21 LEU 77 3HD2 LEU 77 10.429 -2.589 -1.651 592 HD22 LEU 77 1HD2 LEU 77 10.457 -3.948 -0.526 593 HD23 LEU 77 2HD2 LEU 77 9.703 -2.424 -0.051 594 H VAL 78 H VAL 78 5.653 -1.506 -0.748 595 HA VAL 78 HA VAL 78 5.088 -3.792 0.873 596 HB VAL 78 HB VAL 78 4.055 -2.286 2.482 597 HG11 VAL 78 1HG1 VAL 78 6.100 -0.601 2.516 598 HG12 VAL 78 2HG1 VAL 78 6.703 -1.671 1.246 599 HG13 VAL 78 3HG1 VAL 78 6.315 -2.320 2.843 600 HG21 VAL 78 3HG2 VAL 78 4.543 -0.035 0.503 601 HG22 VAL 78 1HG2 VAL 78 3.788 0.073 2.089 602 HG23 VAL 78 2HG2 VAL 78 2.962 -0.765 0.783 603 H ALA 79 H ALA 79 3.065 -1.789 -1.241 604 HA ALA 79 HA ALA 79 0.609 -2.915 -0.268 605 HB1 ALA 79 1HB ALA 79 1.123 -0.811 -1.802 606 HB2 ALA 79 2HB ALA 79 -0.425 -1.637 -1.844 607 HB3 ALA 79 3HB ALA 79 0.791 -1.969 -3.085 608 H ALA 80 H ALA 80 2.611 -3.668 -3.114 609 HA ALA 80 HA ALA 80 0.994 -5.775 -4.075 610 HB1 ALA 80 1HB ALA 80 3.115 -6.484 -5.257 611 HB2 ALA 80 2HB ALA 80 3.940 -5.171 -4.416 612 HB3 ALA 80 3HB ALA 80 2.627 -4.812 -5.542 613 H LEU 81 H LEU 81 3.729 -5.632 -1.784 614 HA LEU 81 HA LEU 81 3.806 -8.465 -1.408 615 HB2 LEU 81 2HB LEU 81 4.967 -6.131 0.035 616 HB3 LEU 81 1HB LEU 81 4.832 -7.651 0.910 617 HG LEU 81 HG LEU 81 6.213 -8.805 -0.644 618 HD11 LEU 81 1HD1 LEU 81 7.133 -7.424 -2.680 619 HD12 LEU 81 2HD1 LEU 81 5.651 -6.502 -2.487 620 HD13 LEU 81 3HD1 LEU 81 5.578 -8.227 -2.810 621 HD21 LEU 81 3HD2 LEU 81 8.285 -7.543 -0.598 622 HD22 LEU 81 1HD2 LEU 81 7.391 -7.222 0.888 623 HD23 LEU 81 2HD2 LEU 81 7.401 -6.030 -0.411 624 H THR 82 H THR 82 1.861 -5.869 0.009 625 HA THR 82 HA THR 82 0.838 -7.386 2.175 626 HB THR 82 HB THR 82 -0.581 -5.219 0.611 627 HG1 THR 82 1HG THR 82 0.997 -4.061 1.343 628 HG21 THR 82 3HG2 THR 82 -2.225 -5.904 2.045 629 HG22 THR 82 1HG2 THR 82 -1.321 -4.916 3.191 630 HG23 THR 82 2HG2 THR 82 -1.087 -6.661 3.160 631 H VAL 83 H VAL 83 -0.503 -6.851 -1.111 632 HA VAL 83 HA VAL 83 -2.707 -8.617 -0.661 633 HB VAL 83 HB VAL 83 -2.755 -6.991 -2.521 634 HG11 VAL 83 1HG1 VAL 83 -0.899 -8.883 -3.985 635 HG12 VAL 83 2HG1 VAL 83 -0.359 -7.386 -3.240 636 HG13 VAL 83 3HG1 VAL 83 -1.517 -7.331 -4.540 637 HG21 VAL 83 3HG2 VAL 83 -3.978 -9.332 -2.419 638 HG22 VAL 83 1HG2 VAL 83 -2.934 -9.704 -3.793 639 HG23 VAL 83 2HG2 VAL 83 -4.065 -8.351 -3.879 640 H ALA 84 H ALA 84 0.549 -9.154 -1.922 641 HA ALA 84 HA ALA 84 0.142 -11.865 -2.667 642 HB1 ALA 84 1HB ALA 84 2.484 -11.991 -2.904 643 HB2 ALA 84 2HB ALA 84 2.758 -10.717 -1.714 644 HB3 ALA 84 3HB ALA 84 2.086 -10.319 -3.296 645 H CYS 85 H CHC 85 0.801 -10.233 0.327 646 HA CYS 85 HA CHC 85 1.654 -12.487 1.831 647 HB2 CYS 85 2HB CHC 85 2.015 -10.100 2.505 648 HB3 CYS 85 1HB CHC 85 0.288 -9.979 2.838 649 H ASN 86 H ASN 86 -1.494 -10.753 1.666 650 HA ASN 86 HA ASN 86 -2.880 -12.595 3.286 651 HB2 ASN 86 2HB ASN 86 -3.752 -10.373 2.403 652 HB3 ASN 86 1HB ASN 86 -4.078 -11.208 0.885 653 HD21 ASN 86 1HD2 ASN 86 -6.163 -12.041 0.757 654 HD22 ASN 86 2HD2 ASN 86 -7.109 -12.510 2.086 655 H ASN 87 H ASN 87 -2.186 -12.567 -0.192 656 HA ASN 87 HA ASN 87 -3.640 -14.885 -0.914 657 HB2 ASN 87 2HB ASN 87 -1.084 -13.728 -2.053 658 HB3 ASN 87 1HB ASN 87 -2.036 -14.994 -2.823 659 HD21 ASN 87 1HD2 ASN 87 -1.626 -12.465 -4.101 660 HD22 ASN 87 2HD2 ASN 87 -3.117 -11.654 -4.169 661 H PHE 88 H PHE 88 -0.411 -14.422 0.420 662 HA PHE 88 HA PHE 88 0.482 -17.085 0.143 663 HB2 PHE 88 2HB PHE 88 1.964 -15.157 0.642 664 HB3 PHE 88 1HB PHE 88 1.269 -15.074 2.260 665 HD1 PHE 88 1HD PHE 88 3.280 -17.147 -0.060 666 HD2 PHE 88 2HD PHE 88 1.841 -16.682 3.961 667 HE1 PHE 88 1HE PHE 88 4.848 -18.909 0.705 668 HE2 PHE 88 2HE PHE 88 3.409 -18.445 4.725 669 HZ PHE 88 HZ PHE 88 4.913 -19.559 3.097 670 H PHE 89 H PHE 89 -1.118 -15.413 2.859 671 HA PHE 89 HA PHE 89 -1.051 -17.632 4.611 672 HB2 PHE 89 2HB PHE 89 -1.447 -15.294 5.329 673 HB3 PHE 89 1HB PHE 89 -3.035 -15.352 4.565 674 HD1 PHE 89 1HD PHE 89 -0.936 -16.751 7.277 675 HD2 PHE 89 2HD PHE 89 -4.868 -16.558 5.558 676 HE1 PHE 89 1HE PHE 89 -1.876 -17.817 9.310 677 HE2 PHE 89 2HE PHE 89 -5.808 -17.624 7.591 678 HZ PHE 89 HZ PHE 89 -4.313 -18.253 9.467 679 H TRP 90 H TRP 90 -3.779 -16.371 2.635 680 HA TRP 90 HA TRP 90 -5.512 -18.525 3.286 681 HB2 TRP 90 2HB TRP 90 -6.339 -16.386 2.393 682 HB3 TRP 90 1HB TRP 90 -5.615 -16.789 0.829 683 HD1 TRP 90 HD TRP 90 -6.451 -19.059 -0.328 684 HE1 TRP 90 1HE TRP 90 -8.753 -20.210 -0.297 685 HE3 TRP 90 3HE TRP 90 -8.478 -16.793 3.759 686 HZ2 TRP 90 2HZ TRP 90 -11.156 -20.163 1.270 687 HZ3 TRP 90 3HZ TRP 90 -10.773 -17.361 4.504 688 HH2 TRP 90 HH TRP 90 -12.112 -19.042 3.267 689 H GLU 91 H GLU 91 -3.329 -17.999 0.593 690 HA GLU 91 HA GLU 91 -4.035 -20.612 -0.530 691 HB2 GLU 91 2HB GLU 91 -3.559 -18.149 -1.664 692 HB3 GLU 91 1HB GLU 91 -2.021 -18.960 -1.923 693 HG2 GLU 91 2HG GLU 91 -4.724 -20.134 -2.656 694 HG3 GLU 91 1HG GLU 91 -3.663 -19.305 -3.792 695 H ASN 92 H ASN 92 -2.548 -22.265 -0.813 696 HA ASN 92 HA ASN 92 -0.594 -22.656 1.133 697 HB2 ASN 92 2HB ASN 92 -0.847 -23.916 -1.606 698 HB3 ASN 92 1HB ASN 92 0.209 -24.510 -0.326 699 HD21 ASN 92 1HD2 ASN 92 -1.923 -26.122 -1.360 700 HD22 ASN 92 2HD2 ASN 92 -3.083 -26.314 -0.136 701 H SER 93 H SER 93 -0.333 -21.230 -2.074 702 HA SER 93 HA SER 93 2.359 -20.281 -1.386 703 HB2 SER 93 2HB SER 93 3.009 -22.114 -2.687 704 HB3 SER 93 1HB SER 93 1.624 -21.964 -3.765 705 HG SER 93 HG SER 93 2.786 -19.718 -4.047 706 H1 GLY 1 H GLY 1 8.899 -1.068 17.477 707 HA2 GLY 1 2HA GLY 1 8.409 -0.332 15.207 708 HA3 GLY 1 1HA GLY 1 9.524 -1.689 15.090 709 H SER 2 H SER 2 8.925 -2.946 13.449 710 HA SER 2 HA SER 2 7.554 -3.956 11.865 711 HB2 SER 2 2HB SER 2 6.279 -4.857 14.453 712 HB3 SER 2 1HB SER 2 6.094 -5.647 12.890 713 HG SER 2 HG SER 2 8.612 -5.143 14.089 714 H GLU 3 H GLU 3 6.601 -1.236 12.994 715 HA GLU 3 HA GLU 3 3.785 -1.247 13.083 716 HB2 GLU 3 2HB GLU 3 5.716 0.925 12.244 717 HB3 GLU 3 1HB GLU 3 3.994 1.177 12.517 718 HG2 GLU 3 2HG GLU 3 4.249 0.349 14.825 719 HG3 GLU 3 1HG GLU 3 5.979 0.159 14.557 720 H LEU 4 H LEU 4 6.052 -1.009 10.358 721 HA LEU 4 HA LEU 4 4.151 -0.278 8.393 722 HB2 LEU 4 2HB LEU 4 6.747 -0.452 8.224 723 HB3 LEU 4 1HB LEU 4 6.452 -2.148 7.855 724 HG LEU 4 HG LEU 4 5.213 0.186 6.369 725 HD11 LEU 4 1HD1 LEU 4 7.294 -1.614 5.177 726 HD12 LEU 4 2HD1 LEU 4 7.782 -0.247 6.175 727 HD13 LEU 4 3HD1 LEU 4 6.824 0.021 4.719 728 HD21 LEU 4 3HD2 LEU 4 3.766 -1.482 5.846 729 HD22 LEU 4 1HD2 LEU 4 4.935 -2.770 6.138 730 HD23 LEU 4 2HD2 LEU 4 4.998 -1.839 4.643 731 H GLU 5 H GLU 5 5.215 -3.359 9.746 732 HA GLU 5 HA GLU 5 3.759 -5.102 8.063 733 HB2 GLU 5 2HB GLU 5 5.611 -5.577 9.876 734 HB3 GLU 5 1HB GLU 5 4.238 -5.703 10.969 735 HG2 GLU 5 2HG GLU 5 4.417 -7.252 8.374 736 HG3 GLU 5 1HG GLU 5 4.986 -7.886 9.913 737 H THR 6 H THR 6 2.993 -3.446 11.088 738 HA THR 6 HA THR 6 0.473 -4.618 11.558 739 HB THR 6 HB THR 6 1.337 -1.788 12.211 740 HG1 THR 6 1HG THR 6 2.314 -4.116 13.014 741 HG21 THR 6 3HG2 THR 6 -1.083 -2.266 12.468 742 HG22 THR 6 1HG2 THR 6 -0.299 -1.991 14.024 743 HG23 THR 6 2HG2 THR 6 -0.687 -3.633 13.509 744 H ALA 7 H ALA 7 1.547 -1.880 9.635 745 HA ALA 7 HA ALA 7 -1.001 -0.909 8.880 746 HB1 ALA 7 1HB ALA 7 1.331 0.167 8.560 747 HB2 ALA 7 2HB ALA 7 0.154 0.379 7.269 748 HB3 ALA 7 3HB ALA 7 1.433 -0.818 7.102 749 H MET 8 H MET 8 1.198 -3.286 7.417 750 HA MET 8 HA MET 8 -0.309 -3.829 5.078 751 HB2 MET 8 2HB MET 8 1.517 -5.598 6.743 752 HB3 MET 8 1HB MET 8 0.912 -6.035 5.146 753 HG2 MET 8 2HG MET 8 1.980 -4.022 4.190 754 HG3 MET 8 1HG MET 8 2.593 -3.590 5.771 755 HE1 MET 8 3HE MET 8 2.678 -5.751 2.761 756 HE2 MET 8 1HE MET 8 2.419 -7.137 3.829 757 HE3 MET 8 2HE MET 8 3.956 -6.939 2.993 758 H GLU 9 H GLU 9 -0.405 -5.170 8.350 759 HA GLU 9 HA GLU 9 -2.392 -7.129 7.853 760 HB2 GLU 9 2HB GLU 9 -1.604 -5.705 10.404 761 HB3 GLU 9 1HB GLU 9 -2.714 -7.074 10.331 762 HG2 GLU 9 2HG GLU 9 -0.936 -8.435 9.260 763 HG3 GLU 9 1HG GLU 9 0.173 -7.075 9.407 764 H THR 10 H THR 10 -2.511 -3.709 8.750 765 HA THR 10 HA THR 10 -5.279 -3.640 9.327 766 HB THR 10 HB THR 10 -3.577 -1.407 8.211 767 HG1 THR 10 1HG THR 10 -3.202 -2.702 10.382 768 HG21 THR 10 3HG2 THR 10 -5.247 0.011 9.405 769 HG22 THR 10 1HG2 THR 10 -6.164 -1.445 9.794 770 HG23 THR 10 2HG2 THR 10 -5.979 -0.944 8.112 771 H LEU 11 H LEU 11 -3.446 -3.112 6.294 772 HA LEU 11 HA LEU 11 -5.712 -2.413 4.738 773 HB2 LEU 11 2HB LEU 11 -3.272 -3.930 3.781 774 HB3 LEU 11 1HB LEU 11 -4.377 -2.990 2.788 775 HG LEU 11 HG LEU 11 -2.475 -1.936 4.892 776 HD11 LEU 11 1HD1 LEU 11 -1.416 -2.472 2.771 777 HD12 LEU 11 2HD1 LEU 11 -1.519 -0.721 2.950 778 HD13 LEU 11 3HD1 LEU 11 -2.652 -1.567 1.896 779 HD21 LEU 11 3HD2 LEU 11 -3.317 0.322 3.897 780 HD22 LEU 11 1HD2 LEU 11 -4.294 -0.468 5.129 781 HD23 LEU 11 2HD2 LEU 11 -4.741 -0.598 3.424 782 H ILE 12 H ILE 12 -4.167 -5.512 5.497 783 HA ILE 12 HA ILE 12 -5.889 -7.093 3.890 784 HB ILE 12 HB ILE 12 -4.393 -7.820 6.412 785 HG12 ILE 12 2HG1 ILE 12 -3.744 -8.380 3.507 786 HG13 ILE 12 1HG1 ILE 12 -3.057 -7.037 4.400 787 HG21 ILE 12 1HG2 ILE 12 -5.828 -9.516 4.353 788 HG22 ILE 12 2HG2 ILE 12 -6.167 -9.420 6.082 789 HG23 ILE 12 3HG2 ILE 12 -4.670 -10.162 5.516 790 HD11 ILE 12 3HD1 ILE 12 -1.828 -8.452 5.815 791 HD12 ILE 12 1HD1 ILE 12 -1.733 -9.288 4.262 792 HD13 ILE 12 2HD1 ILE 12 -2.877 -9.833 5.492 793 H ASN 13 H ASN 13 -6.119 -6.159 7.306 794 HA ASN 13 HA ASN 13 -8.431 -7.625 7.904 795 HB2 ASN 13 2HB ASN 13 -7.369 -5.067 9.095 796 HB3 ASN 13 1HB ASN 13 -8.679 -6.018 9.793 797 HD21 ASN 13 1HD2 ASN 13 -6.227 -5.618 11.213 798 HD22 ASN 13 2HD2 ASN 13 -5.424 -7.109 11.321 799 H VAL 14 H VAL 14 -8.131 -4.273 6.662 800 HA VAL 14 HA VAL 14 -10.965 -3.876 6.858 801 HB VAL 14 HB VAL 14 -10.668 -1.764 5.734 802 HG11 VAL 14 1HG1 VAL 14 -8.192 -1.942 7.400 803 HG12 VAL 14 2HG1 VAL 14 -9.740 -2.322 8.149 804 HG13 VAL 14 3HG1 VAL 14 -9.479 -0.739 7.421 805 HG21 VAL 14 3HG2 VAL 14 -8.266 -1.116 5.058 806 HG22 VAL 14 1HG2 VAL 14 -9.163 -2.146 3.942 807 HG23 VAL 14 2HG2 VAL 14 -7.943 -2.838 5.002 808 H PHE 15 H PHE 15 -8.805 -4.809 4.150 809 HA PHE 15 HA PHE 15 -10.828 -4.738 2.164 810 HB2 PHE 15 2HB PHE 15 -8.477 -5.013 1.555 811 HB3 PHE 15 1HB PHE 15 -8.428 -6.578 2.373 812 HD1 PHE 15 1HD PHE 15 -10.192 -4.718 -0.360 813 HD2 PHE 15 2HD PHE 15 -9.126 -8.532 1.297 814 HE1 PHE 15 1HE PHE 15 -11.115 -5.859 -2.358 815 HE2 PHE 15 2HE PHE 15 -10.039 -9.664 -0.708 816 HZ PHE 15 HZ PHE 15 -11.035 -8.324 -2.539 817 H HIS 16 H HIS 16 -9.698 -7.321 4.302 818 HA HIS 16 HA HIS 16 -11.584 -9.243 3.441 819 HB2 HIS 16 2HB HIS 16 -9.529 -9.820 4.727 820 HB3 HIS 16 1HB HIS 16 -10.230 -9.030 6.140 821 HD1 HIS 16 1HD HIS 16 -11.280 -11.737 3.650 822 HD2 HIS 16 2HD HIS 16 -11.659 -10.800 7.695 823 HE1 HIS 16 1HE HIS 16 -12.549 -13.654 4.714 824 HE2 HIS 16 2HE HIS 16 -12.788 -13.097 7.180 825 H ALA 17 H ALA 17 -11.678 -6.696 5.846 826 HA ALA 17 HA ALA 17 -13.974 -7.526 7.191 827 HB1 ALA 17 1HB ALA 17 -14.268 -5.219 7.829 828 HB2 ALA 17 2HB ALA 17 -13.326 -4.649 6.443 829 HB3 ALA 17 3HB ALA 17 -12.533 -5.519 7.767 830 H HIS 18 H HIS 18 -13.682 -5.384 4.329 831 HA HIS 18 HA HIS 18 -16.582 -5.447 4.062 832 HB2 HIS 18 2HB HIS 18 -14.386 -4.141 2.497 833 HB3 HIS 18 1HB HIS 18 -16.049 -4.164 1.898 834 HD1 HIS 18 1HD HIS 18 -14.215 -3.300 5.137 835 HD2 HIS 18 2HD HIS 18 -17.625 -2.192 3.019 836 HE1 HIS 18 1HE HIS 18 -15.287 -1.412 6.444 837 HE2 HIS 18 2HE HIS 18 -17.369 -0.723 5.162 838 H SER 19 H SER 19 -13.952 -6.751 1.912 839 HA SER 19 HA SER 19 -15.755 -7.850 0.082 840 HB2 SER 19 2HB SER 19 -13.286 -7.767 -0.293 841 HB3 SER 19 1HB SER 19 -13.116 -9.113 0.830 842 HG SER 19 HG SER 19 -15.057 -9.638 -0.977 843 H GLY 20 H GLY 20 -14.355 -9.144 3.063 844 HA2 GLY 20 2HA GLY 20 -15.556 -11.716 3.006 845 HA3 GLY 20 1HA GLY 20 -14.872 -10.927 4.397 846 H LYS 21 H LYS 21 -16.462 -8.697 4.642 847 HA LYS 21 HA LYS 21 -18.671 -9.735 6.038 848 HB2 LYS 21 2HB LYS 21 -17.686 -7.584 6.532 849 HB3 LYS 21 1HB LYS 21 -18.251 -6.932 4.994 850 HG2 LYS 21 2HG LYS 21 -20.582 -7.360 5.755 851 HG3 LYS 21 1HG LYS 21 -19.947 -7.952 7.287 852 HD2 LYS 21 2HD LYS 21 -20.529 -5.607 7.548 853 HD3 LYS 21 1HD LYS 21 -18.782 -5.765 7.605 854 HE2 LYS 21 2HE LYS 21 -19.895 -5.349 4.893 855 HE3 LYS 21 1HE LYS 21 -20.114 -3.990 5.999 856 HZ1 LYS 21 3HZ LYS 21 -17.866 -3.720 6.263 857 HZ2 LYS 21 1HZ LYS 21 -17.943 -4.197 4.637 858 HZ3 LYS 21 2HZ LYS 21 -17.497 -5.321 5.830 859 H GLU 22 H GLU 22 -18.585 -8.320 2.725 860 HA GLU 22 HA GLU 22 -21.327 -9.419 2.396 861 HB2 GLU 22 2HB GLU 22 -20.289 -6.796 1.376 862 HB3 GLU 22 1HB GLU 22 -21.813 -7.511 0.861 863 HG2 GLU 22 2HG GLU 22 -21.066 -6.805 3.697 864 HG3 GLU 22 1HG GLU 22 -22.131 -5.859 2.675 865 H GLY 23 H GLY 23 -21.957 -10.184 0.419 866 HA2 GLY 23 2HA GLY 23 -21.756 -11.283 -1.578 867 HA3 GLY 23 1HA GLY 23 -20.653 -9.989 -2.015 868 H ASP 24 H ASP 24 -19.027 -10.909 -2.989 869 HA ASP 24 HA ASP 24 -17.967 -13.490 -2.243 870 HB2 ASP 24 2HB ASP 24 -18.083 -12.726 -4.603 871 HB3 ASP 24 1HB ASP 24 -16.910 -11.476 -4.220 872 H LYS 25 H LYS 25 -16.444 -13.844 -0.831 873 HA LYS 25 HA LYS 25 -15.408 -11.909 0.840 874 HB2 LYS 25 2HB LYS 25 -14.278 -14.642 0.255 875 HB3 LYS 25 1HB LYS 25 -13.894 -13.649 1.668 876 HG2 LYS 25 2HG LYS 25 -16.388 -13.632 2.229 877 HG3 LYS 25 1HG LYS 25 -16.623 -14.826 0.957 878 HD2 LYS 25 2HD LYS 25 -14.740 -15.183 3.310 879 HD3 LYS 25 1HD LYS 25 -16.371 -15.846 3.227 880 HE2 LYS 25 2HE LYS 25 -15.448 -16.797 0.895 881 HE3 LYS 25 1HE LYS 25 -13.910 -16.672 1.751 882 HZ1 LYS 25 3HZ LYS 25 -14.514 -18.229 3.266 883 HZ2 LYS 25 1HZ LYS 25 -15.425 -18.789 1.951 884 HZ3 LYS 25 2HZ LYS 25 -16.171 -17.867 3.168 885 H TYR 26 H TYR 26 -14.037 -13.133 -2.153 886 HA TYR 26 HA TYR 26 -11.581 -11.579 -1.638 887 HB2 TYR 26 2HB TYR 26 -12.140 -13.697 -3.720 888 HB3 TYR 26 1HB TYR 26 -10.580 -12.931 -3.404 889 HD1 TYR 26 2HD TYR 26 -9.502 -13.201 -1.136 890 HD2 TYR 26 1HD TYR 26 -12.953 -15.456 -2.341 891 HE1 TYR 26 2HE TYR 26 -9.096 -14.810 0.708 892 HE2 TYR 26 1HE TYR 26 -12.548 -17.061 -0.498 893 HH TYR 26 HH TYR 26 -11.048 -16.611 2.025 894 H LYS 27 H LYS 27 -14.325 -10.544 -2.743 895 HA LYS 27 HA LYS 27 -13.022 -8.953 -4.835 896 HB2 LYS 27 2HB LYS 27 -14.269 -10.892 -5.971 897 HB3 LYS 27 1HB LYS 27 -15.735 -10.088 -5.435 898 HG2 LYS 27 2HG LYS 27 -15.391 -9.232 -7.604 899 HG3 LYS 27 1HG LYS 27 -14.769 -7.981 -6.527 900 HD2 LYS 27 2HD LYS 27 -12.494 -8.593 -6.952 901 HD3 LYS 27 1HD LYS 27 -12.961 -10.125 -7.679 902 HE2 LYS 27 2HE LYS 27 -14.059 -8.825 -9.513 903 HE3 LYS 27 1HE LYS 27 -13.398 -7.350 -8.799 904 HZ1 LYS 27 3HZ LYS 27 -12.144 -9.079 -10.554 905 HZ2 LYS 27 1HZ LYS 27 -11.382 -9.311 -9.056 906 HZ3 LYS 27 2HZ LYS 27 -11.455 -7.757 -9.739 907 H LEU 28 H LEU 28 -13.693 -6.861 -4.903 908 HA LEU 28 HA LEU 28 -15.634 -6.130 -2.809 909 HB2 LEU 28 2HB LEU 28 -13.163 -5.397 -2.852 910 HB3 LEU 28 1HB LEU 28 -13.621 -4.368 -4.163 911 HG LEU 28 HG LEU 28 -15.214 -3.156 -2.752 912 HD11 LEU 28 1HD1 LEU 28 -14.851 -3.604 -0.177 913 HD12 LEU 28 2HD1 LEU 28 -14.400 -5.222 -0.696 914 HD13 LEU 28 3HD1 LEU 28 -16.004 -4.589 -1.061 915 HD21 LEU 28 3HD2 LEU 28 -12.446 -3.441 -1.509 916 HD22 LEU 28 1HD2 LEU 28 -13.527 -2.080 -1.257 917 HD23 LEU 28 2HD2 LEU 28 -12.851 -2.390 -2.861 918 H SER 29 H SER 29 -17.542 -5.229 -3.396 919 HA SER 29 HA SER 29 -17.946 -4.529 -6.229 920 HB2 SER 29 2HB SER 29 -20.310 -4.875 -5.822 921 HB3 SER 29 1HB SER 29 -19.408 -6.274 -5.248 922 HG SER 29 HG SER 29 -19.766 -5.682 -3.207 923 H LYS 30 H LYS 30 -19.538 -2.727 -6.646 924 HA LYS 30 HA LYS 30 -18.547 -0.294 -5.804 925 HB2 LYS 30 2HB LYS 30 -20.089 -0.636 -7.720 926 HB3 LYS 30 1HB LYS 30 -21.405 -0.851 -6.568 927 HG2 LYS 30 2HG LYS 30 -20.899 1.439 -5.648 928 HG3 LYS 30 1HG LYS 30 -19.704 1.632 -6.929 929 HD2 LYS 30 2HD LYS 30 -21.762 2.652 -7.669 930 HD3 LYS 30 1HD LYS 30 -21.527 1.173 -8.600 931 HE2 LYS 30 2HE LYS 30 -23.302 0.108 -7.605 932 HE3 LYS 30 1HE LYS 30 -23.040 0.884 -6.037 933 HZ1 LYS 30 3HZ LYS 30 -24.652 2.287 -6.554 934 HZ2 LYS 30 1HZ LYS 30 -24.819 1.618 -8.103 935 HZ3 LYS 30 2HZ LYS 30 -23.719 2.886 -7.842 936 H LYS 31 H LYS 31 -21.463 -1.933 -4.610 937 HA LYS 31 HA LYS 31 -22.215 0.068 -2.813 938 HB2 LYS 31 2HB LYS 31 -23.629 -1.612 -1.811 939 HB3 LYS 31 1HB LYS 31 -23.594 -1.907 -3.551 940 HG2 LYS 31 2HG LYS 31 -21.737 -3.568 -3.148 941 HG3 LYS 31 1HG LYS 31 -22.021 -3.355 -1.421 942 HD2 LYS 31 2HD LYS 31 -24.364 -3.938 -1.787 943 HD3 LYS 31 1HD LYS 31 -23.980 -4.407 -3.436 944 HE2 LYS 31 2HE LYS 31 -22.292 -6.006 -2.525 945 HE3 LYS 31 1HE LYS 31 -22.800 -5.574 -0.893 946 HZ1 LYS 31 3HZ LYS 31 -25.136 -6.176 -1.813 947 HZ2 LYS 31 1HZ LYS 31 -24.086 -7.405 -1.302 948 HZ3 LYS 31 2HZ LYS 31 -24.256 -7.069 -2.959 949 H GLU 32 H GLU 32 -20.322 -2.896 -2.338 950 HA GLU 32 HA GLU 32 -19.804 -2.544 0.403 951 HB2 GLU 32 2HB GLU 32 -18.098 -3.927 -1.683 952 HB3 GLU 32 1HB GLU 32 -17.913 -4.099 0.060 953 HG2 GLU 32 2HG GLU 32 -20.248 -4.941 0.189 954 HG3 GLU 32 1HG GLU 32 -20.346 -4.861 -1.560 955 H LEU 33 H LEU 33 -17.635 -1.640 -2.392 956 HA LEU 33 HA LEU 33 -15.670 -0.593 -0.660 957 HB2 LEU 33 2HB LEU 33 -14.865 0.788 -2.605 958 HB3 LEU 33 1HB LEU 33 -14.880 -0.936 -2.821 959 HG LEU 33 HG LEU 33 -17.382 -0.242 -3.774 960 HD11 LEU 33 1HD1 LEU 33 -17.034 1.630 -5.327 961 HD12 LEU 33 2HD1 LEU 33 -15.374 1.815 -4.792 962 HD13 LEU 33 3HD1 LEU 33 -16.706 2.184 -3.690 963 HD21 LEU 33 3HD2 LEU 33 -14.699 -0.818 -5.052 964 HD22 LEU 33 1HD2 LEU 33 -16.095 -0.486 -6.070 965 HD23 LEU 33 2HD2 LEU 33 -16.116 -1.858 -4.958 966 H LYS 34 H LYS 34 -18.563 0.837 -2.045 967 HA LYS 34 HA LYS 34 -17.974 3.480 -1.351 968 HB2 LYS 34 2HB LYS 34 -19.998 2.761 -2.636 969 HB3 LYS 34 1HB LYS 34 -20.669 2.107 -1.144 970 HG2 LYS 34 2HG LYS 34 -21.637 4.264 -1.338 971 HG3 LYS 34 1HG LYS 34 -20.338 4.467 -0.163 972 HD2 LYS 34 2HD LYS 34 -18.874 5.416 -1.839 973 HD3 LYS 34 1HD LYS 34 -20.008 5.015 -3.120 974 HE2 LYS 34 2HE LYS 34 -20.688 7.178 -2.850 975 HE3 LYS 34 1HE LYS 34 -21.588 6.535 -1.475 976 HZ1 LYS 34 3HZ LYS 34 -19.075 8.040 -1.520 977 HZ2 LYS 34 1HZ LYS 34 -19.302 6.900 -0.285 978 HZ3 LYS 34 2HZ LYS 34 -20.403 8.181 -0.471 979 H GLU 35 H GLU 35 -19.070 0.702 0.568 980 HA GLU 35 HA GLU 35 -19.508 2.276 2.938 981 HB2 GLU 35 2HB GLU 35 -19.238 -0.694 2.496 982 HB3 GLU 35 1HB GLU 35 -19.643 0.043 4.047 983 HG2 GLU 35 2HG GLU 35 -21.604 1.140 2.983 984 HG3 GLU 35 1HG GLU 35 -21.214 0.326 1.469 985 H LEU 36 H LEU 36 -16.809 0.230 1.772 986 HA LEU 36 HA LEU 36 -15.359 0.311 4.204 987 HB2 LEU 36 2HB LEU 36 -15.025 -1.208 2.135 988 HB3 LEU 36 1HB LEU 36 -14.044 0.108 1.503 989 HG LEU 36 HG LEU 36 -13.568 -1.272 4.182 990 HD11 LEU 36 1HD1 LEU 36 -12.204 -2.757 3.172 991 HD12 LEU 36 2HD1 LEU 36 -11.557 -1.566 2.048 992 HD13 LEU 36 3HD1 LEU 36 -13.087 -2.361 1.701 993 HD21 LEU 36 3HD2 LEU 36 -11.248 -0.083 3.653 994 HD22 LEU 36 1HD2 LEU 36 -12.541 0.766 4.480 995 HD23 LEU 36 2HD2 LEU 36 -12.280 1.024 2.759 996 H LEU 37 H LEU 37 -15.108 2.422 1.273 997 HA LEU 37 HA LEU 37 -12.946 3.926 2.353 998 HB2 LEU 37 2HB LEU 37 -14.984 4.630 0.239 999 HB3 LEU 37 1HB LEU 37 -13.720 5.745 0.740 1000 HG LEU 37 HG LEU 37 -13.263 4.231 -1.319 1001 HD11 LEU 37 1HD1 LEU 37 -11.562 5.576 0.023 1002 HD12 LEU 37 2HD1 LEU 37 -10.918 4.180 -0.840 1003 HD13 LEU 37 3HD1 LEU 37 -11.205 4.086 0.898 1004 HD21 LEU 37 3HD2 LEU 37 -12.605 2.249 0.858 1005 HD22 LEU 37 1HD2 LEU 37 -12.479 2.010 -0.879 1006 HD23 LEU 37 2HD2 LEU 37 -14.057 2.159 -0.123 1007 H GLN 38 H GLN 38 -16.473 4.412 2.489 1008 HA GLN 38 HA GLN 38 -16.357 6.889 3.844 1009 HB2 GLN 38 2HB GLN 38 -18.500 4.761 3.820 1010 HB3 GLN 38 1HB GLN 38 -18.696 6.350 4.556 1011 HG2 GLN 38 2HG GLN 38 -18.261 7.433 2.403 1012 HG3 GLN 38 1HG GLN 38 -17.988 5.868 1.642 1013 HE21 GLN 38 1HE2 GLN 38 -20.075 7.697 0.800 1014 HE22 GLN 38 2HE2 GLN 38 -21.565 6.948 1.112 1015 H THR 39 H THR 39 -16.370 3.549 5.020 1016 HA THR 39 HA THR 39 -16.595 4.275 7.774 1017 HB THR 39 HB THR 39 -15.985 1.950 8.231 1018 HG1 THR 39 1HG THR 39 -15.058 2.161 5.632 1019 HG21 THR 39 3HG2 THR 39 -17.673 1.022 6.277 1020 HG22 THR 39 1HG2 THR 39 -18.080 2.737 6.303 1021 HG23 THR 39 2HG2 THR 39 -18.205 1.779 7.777 1022 H GLU 40 H GLU 40 -13.862 3.803 5.581 1023 HA GLU 40 HA GLU 40 -12.023 4.209 7.845 1024 HB2 GLU 40 2HB GLU 40 -11.534 3.263 5.025 1025 HB3 GLU 40 1HB GLU 40 -10.270 3.547 6.215 1026 HG2 GLU 40 2HG GLU 40 -12.589 1.637 6.592 1027 HG3 GLU 40 1HG GLU 40 -10.956 1.159 6.132 1028 H LEU 41 H LEU 41 -12.221 5.369 4.443 1029 HA LEU 41 HA LEU 41 -10.743 7.770 5.288 1030 HB2 LEU 41 2HB LEU 41 -11.451 6.887 2.486 1031 HB3 LEU 41 1HB LEU 41 -10.345 8.177 2.933 1032 HG LEU 41 HG LEU 41 -9.974 5.208 3.439 1033 HD11 LEU 41 1HD1 LEU 41 -8.339 5.284 1.774 1034 HD12 LEU 41 2HD1 LEU 41 -8.103 7.023 1.946 1035 HD13 LEU 41 3HD1 LEU 41 -9.540 6.408 1.137 1036 HD21 LEU 41 3HD2 LEU 41 -7.620 6.102 4.159 1037 HD22 LEU 41 1HD2 LEU 41 -8.935 6.155 5.327 1038 HD23 LEU 41 2HD2 LEU 41 -8.463 7.618 4.455 1039 H SER 42 H SER 42 -11.489 9.821 5.091 1040 HA SER 42 HA SER 42 -14.358 10.080 4.376 1041 HB2 SER 42 2HB SER 42 -14.594 11.747 6.024 1042 HB3 SER 42 1HB SER 42 -13.621 10.499 6.797 1043 HG SER 42 HG SER 42 -12.695 12.541 7.113 1044 H GLY 43 H GLY 43 -11.470 12.152 4.650 1045 HA2 GLY 43 2HA GLY 43 -12.336 14.158 2.926 1046 HA3 GLY 43 1HA GLY 43 -10.661 13.833 3.327 1047 H PHE 44 H PHE 44 -10.464 11.212 2.092 1048 HA PHE 44 HA PHE 44 -9.800 12.030 -0.516 1049 HB2 PHE 44 2HB PHE 44 -10.188 9.279 0.657 1050 HB3 PHE 44 1HB PHE 44 -9.581 9.560 -0.975 1051 HD1 PHE 44 1HD PHE 44 -7.420 10.671 -1.350 1052 HD2 PHE 44 2HD PHE 44 -8.837 9.829 2.615 1053 HE1 PHE 44 1HE PHE 44 -5.149 11.088 -0.449 1054 HE2 PHE 44 2HE PHE 44 -6.566 10.241 3.516 1055 HZ PHE 44 HZ PHE 44 -4.721 10.872 1.985 1056 H LEU 45 H LEU 45 -12.562 9.982 0.517 1057 HA LEU 45 HA LEU 45 -13.688 10.007 -2.137 1058 HB2 LEU 45 2HB LEU 45 -14.401 8.804 0.470 1059 HB3 LEU 45 1HB LEU 45 -15.787 9.280 -0.499 1060 HG LEU 45 HG LEU 45 -14.948 6.910 -0.877 1061 HD11 LEU 45 1HD1 LEU 45 -14.793 7.633 -3.553 1062 HD12 LEU 45 2HD1 LEU 45 -15.625 9.015 -2.829 1063 HD13 LEU 45 3HD1 LEU 45 -16.281 7.388 -2.642 1064 HD21 LEU 45 3HD2 LEU 45 -12.451 8.101 -1.052 1065 HD22 LEU 45 1HD2 LEU 45 -12.864 7.843 -2.751 1066 HD23 LEU 45 2HD2 LEU 45 -12.850 6.486 -1.631 1067 H ASP 46 H ASP 46 -14.285 11.755 0.843 1068 HA ASP 46 HA ASP 46 -16.580 13.118 0.015 1069 HB2 ASP 46 2HB ASP 46 -15.764 12.988 2.363 1070 HB3 ASP 46 1HB ASP 46 -14.473 14.113 1.944 1071 H ALA 47 H ALA 47 -13.181 13.795 -0.532 1072 HA ALA 47 HA ALA 47 -13.326 16.481 -1.262 1073 HB1 ALA 47 1HB ALA 47 -11.495 14.249 -2.127 1074 HB2 ALA 47 2HB ALA 47 -11.183 15.522 -0.945 1075 HB3 ALA 47 3HB ALA 47 -11.272 15.916 -2.662 1076 H GLN 48 H GLN 48 -14.022 13.599 -3.176 1077 HA GLN 48 HA GLN 48 -14.075 14.870 -5.699 1078 HB2 GLN 48 2HB GLN 48 -15.717 12.484 -4.807 1079 HB3 GLN 48 1HB GLN 48 -15.422 12.993 -6.470 1080 HG2 GLN 48 2HG GLN 48 -13.350 12.002 -4.489 1081 HG3 GLN 48 1HG GLN 48 -13.886 11.199 -5.955 1082 HE21 GLN 48 1HE2 GLN 48 -11.378 13.003 -4.762 1083 HE22 GLN 48 2HE2 GLN 48 -10.824 13.699 -6.212 1084 H LYS 49 H LYS 49 -16.409 14.585 -3.126 1085 HA LYS 49 HA LYS 49 -18.346 15.701 -2.667 1086 HB2 LYS 49 2HB LYS 49 -17.043 17.697 -3.388 1087 HB3 LYS 49 1HB LYS 49 -17.649 17.458 -5.026 1088 HG2 LYS 49 2HG LYS 49 -19.975 17.632 -4.174 1089 HG3 LYS 49 1HG LYS 49 -19.339 17.946 -2.559 1090 HD2 LYS 49 2HD LYS 49 -18.111 19.924 -3.487 1091 HD3 LYS 49 1HD LYS 49 -18.920 19.649 -5.030 1092 HE2 LYS 49 2HE LYS 49 -20.252 21.277 -3.917 1093 HE3 LYS 49 1HE LYS 49 -21.121 19.756 -3.712 1094 HZ1 LYS 49 3HZ LYS 49 -20.349 19.541 -1.521 1095 HZ2 LYS 49 1HZ LYS 49 -20.835 21.160 -1.660 1096 HZ3 LYS 49 2HZ LYS 49 -19.184 20.763 -1.712 1097 H ASP 50 H ASP 50 -17.808 14.742 -6.018 1098 HA ASP 50 HA ASP 50 -20.558 14.890 -6.780 1099 HB2 ASP 50 2HB ASP 50 -18.267 13.327 -7.973 1100 HB3 ASP 50 1HB ASP 50 -19.880 13.444 -8.679 1101 H VAL 51 H VAL 51 -22.117 13.345 -6.854 1102 HA VAL 51 HA VAL 51 -21.979 11.249 -4.900 1103 HB VAL 51 HB VAL 51 -24.254 10.790 -5.440 1104 HG11 VAL 51 1HG1 VAL 51 -23.457 13.205 -4.569 1105 HG12 VAL 51 2HG1 VAL 51 -25.155 12.805 -4.819 1106 HG13 VAL 51 3HG1 VAL 51 -24.275 13.708 -6.050 1107 HG21 VAL 51 3HG2 VAL 51 -25.325 11.853 -7.464 1108 HG22 VAL 51 1HG2 VAL 51 -24.140 10.606 -7.845 1109 HG23 VAL 51 2HG2 VAL 51 -23.714 12.308 -8.011 1110 H ASP 52 H ASP 52 -21.575 11.458 -8.356 1111 HA ASP 52 HA ASP 52 -21.630 8.571 -8.736 1112 HB2 ASP 52 2HB ASP 52 -21.041 10.866 -10.617 1113 HB3 ASP 52 1HB ASP 52 -21.036 9.170 -11.097 1114 H ALA 53 H ALA 53 -19.504 10.527 -7.323 1115 HA ALA 53 HA ALA 53 -17.048 10.159 -8.594 1116 HB1 ALA 53 1HB ALA 53 -17.562 10.224 -5.615 1117 HB2 ALA 53 2HB ALA 53 -17.469 11.651 -6.644 1118 HB3 ALA 53 3HB ALA 53 -16.051 10.618 -6.432 1119 H VAL 54 H VAL 54 -18.796 8.038 -6.341 1120 HA VAL 54 HA VAL 54 -16.734 6.163 -5.930 1121 HB VAL 54 HB VAL 54 -18.943 6.262 -4.709 1122 HG11 VAL 54 1HG1 VAL 54 -20.904 5.354 -5.710 1123 HG12 VAL 54 2HG1 VAL 54 -19.996 4.689 -7.069 1124 HG13 VAL 54 3HG1 VAL 54 -20.236 6.430 -6.936 1125 HG21 VAL 54 3HG2 VAL 54 -17.711 4.317 -4.262 1126 HG22 VAL 54 1HG2 VAL 54 -17.829 3.747 -5.927 1127 HG23 VAL 54 2HG2 VAL 54 -19.233 3.663 -4.867 1128 H ASP 55 H ASP 55 -19.265 6.388 -8.407 1129 HA ASP 55 HA ASP 55 -18.648 4.003 -9.771 1130 HB2 ASP 55 2HB ASP 55 -19.862 6.597 -10.695 1131 HB3 ASP 55 1HB ASP 55 -19.783 5.153 -11.705 1132 H LYS 56 H LYS 56 -17.509 7.339 -10.141 1133 HA LYS 56 HA LYS 56 -15.878 6.898 -12.404 1134 HB2 LYS 56 2HB LYS 56 -15.609 8.907 -10.155 1135 HB3 LYS 56 1HB LYS 56 -14.684 8.955 -11.657 1136 HG2 LYS 56 2HG LYS 56 -16.831 9.043 -12.930 1137 HG3 LYS 56 1HG LYS 56 -17.699 9.125 -11.397 1138 HD2 LYS 56 2HD LYS 56 -16.405 11.183 -10.820 1139 HD3 LYS 56 1HD LYS 56 -15.670 11.129 -12.422 1140 HE2 LYS 56 2HE LYS 56 -17.876 11.327 -13.471 1141 HE3 LYS 56 1HE LYS 56 -18.649 11.309 -11.886 1142 HZ1 LYS 56 3HZ LYS 56 -17.418 13.328 -11.324 1143 HZ2 LYS 56 1HZ LYS 56 -18.411 13.561 -12.680 1144 HZ3 LYS 56 2HZ LYS 56 -16.737 13.354 -12.880 1145 H VAL 57 H VAL 57 -15.293 6.571 -8.941 1146 HA VAL 57 HA VAL 57 -12.511 6.124 -9.092 1147 HB VAL 57 HB VAL 57 -14.560 5.286 -7.036 1148 HG11 VAL 57 1HG1 VAL 57 -11.580 4.917 -7.189 1149 HG12 VAL 57 2HG1 VAL 57 -12.811 3.793 -6.612 1150 HG13 VAL 57 3HG1 VAL 57 -12.348 5.178 -5.623 1151 HG21 VAL 57 3HG2 VAL 57 -12.418 7.368 -6.697 1152 HG22 VAL 57 1HG2 VAL 57 -13.991 7.253 -5.907 1153 HG23 VAL 57 2HG2 VAL 57 -13.882 7.781 -7.587 1154 H MET 58 H MET 58 -15.262 3.825 -9.063 1155 HA MET 58 HA MET 58 -13.534 1.569 -9.086 1156 HB2 MET 58 2HB MET 58 -15.400 0.191 -9.252 1157 HB3 MET 58 1HB MET 58 -15.951 1.581 -8.330 1158 HG2 MET 58 2HG MET 58 -17.562 2.011 -9.851 1159 HG3 MET 58 1HG MET 58 -16.405 2.030 -11.166 1160 HE1 MET 58 3HE MET 58 -17.042 -1.449 -8.916 1161 HE2 MET 58 1HE MET 58 -18.748 -1.398 -9.381 1162 HE3 MET 58 2HE MET 58 -18.009 -0.013 -8.582 1163 H LYS 59 H LYS 59 -14.871 3.454 -11.768 1164 HA LYS 59 HA LYS 59 -14.526 1.549 -13.793 1165 HB2 LYS 59 2HB LYS 59 -14.277 4.531 -13.952 1166 HB3 LYS 59 1HB LYS 59 -14.379 3.448 -15.341 1167 HG2 LYS 59 2HG LYS 59 -16.510 2.628 -13.697 1168 HG3 LYS 59 1HG LYS 59 -16.513 4.383 -13.554 1169 HD2 LYS 59 2HD LYS 59 -16.404 2.901 -16.165 1170 HD3 LYS 59 1HD LYS 59 -17.902 3.497 -15.448 1171 HE2 LYS 59 2HE LYS 59 -16.205 4.937 -17.157 1172 HE3 LYS 59 1HE LYS 59 -17.518 5.605 -16.191 1173 HZ1 LYS 59 3HZ LYS 59 -15.556 6.796 -15.674 1174 HZ2 LYS 59 1HZ LYS 59 -14.663 5.376 -15.435 1175 HZ3 LYS 59 2HZ LYS 59 -15.890 5.799 -14.340 1176 H GLU 60 H GLU 60 -12.115 3.876 -12.507 1177 HA GLU 60 HA GLU 60 -10.157 3.095 -14.454 1178 HB2 GLU 60 2HB GLU 60 -8.640 4.514 -13.304 1179 HB3 GLU 60 1HB GLU 60 -10.211 5.306 -13.201 1180 HG2 GLU 60 2HG GLU 60 -10.525 4.286 -10.943 1181 HG3 GLU 60 1HG GLU 60 -8.889 3.638 -11.040 1182 H LEU 61 H LEU 61 -10.914 2.135 -11.160 1183 HA LEU 61 HA LEU 61 -8.609 0.532 -10.753 1184 HB2 LEU 61 2HB LEU 61 -11.321 0.352 -9.435 1185 HB3 LEU 61 1HB LEU 61 -9.859 -0.443 -8.867 1186 HG LEU 61 HG LEU 61 -10.248 2.556 -9.109 1187 HD11 LEU 61 1HD1 LEU 61 -11.439 1.126 -7.255 1188 HD12 LEU 61 2HD1 LEU 61 -10.570 2.586 -6.785 1189 HD13 LEU 61 3HD1 LEU 61 -9.819 1.005 -6.565 1190 HD21 LEU 61 3HD2 LEU 61 -7.930 2.326 -9.329 1191 HD22 LEU 61 1HD2 LEU 61 -7.898 0.806 -8.428 1192 HD23 LEU 61 2HD2 LEU 61 -8.086 2.330 -7.585 1193 H ASP 62 H ASP 62 -11.756 -0.175 -12.175 1194 HA ASP 62 HA ASP 62 -11.291 -2.995 -12.063 1195 HB2 ASP 62 2HB ASP 62 -13.562 -2.004 -12.196 1196 HB3 ASP 62 1HB ASP 62 -13.211 -1.516 -13.857 1197 H GLU 63 H GLU 63 -9.341 -3.423 -12.985 1198 HA GLU 63 HA GLU 63 -8.499 -2.648 -15.593 1199 HB2 GLU 63 2HB GLU 63 -6.936 -3.481 -13.942 1200 HB3 GLU 63 1HB GLU 63 -7.850 -4.986 -13.787 1201 HG2 GLU 63 2HG GLU 63 -7.383 -5.541 -16.108 1202 HG3 GLU 63 1HG GLU 63 -6.440 -4.043 -16.304 1203 H ASN 64 H ASN 64 -9.967 -5.434 -14.229 1204 HA ASN 64 HA ASN 64 -10.137 -7.171 -16.366 1205 HB2 ASN 64 2HB ASN 64 -11.850 -6.677 -13.996 1206 HB3 ASN 64 1HB ASN 64 -11.900 -8.174 -14.921 1207 HD21 ASN 64 1HD2 ASN 64 -9.209 -8.754 -15.268 1208 HD22 ASN 64 2HD2 ASN 64 -8.427 -8.879 -13.766 1209 H GLY 65 H GLY 65 -12.325 -4.573 -15.376 1210 HA2 GLY 65 2HA GLY 65 -13.921 -3.484 -16.746 1211 HA3 GLY 65 1HA GLY 65 -13.786 -4.804 -17.914 1212 H ASP 66 H ASP 66 -13.818 -6.094 -14.926 1213 HA ASP 66 HA ASP 66 -16.248 -7.449 -15.130 1214 HB2 ASP 66 2HB ASP 66 -15.697 -8.245 -12.864 1215 HB3 ASP 66 1HB ASP 66 -14.288 -8.285 -13.921 1216 H GLY 67 H GLY 67 -15.462 -4.435 -13.510 1217 HA2 GLY 67 2HA GLY 67 -17.111 -2.774 -13.016 1218 HA3 GLY 67 1HA GLY 67 -18.317 -4.058 -12.886 1219 H GLU 68 H GLU 68 -15.742 -5.334 -11.517 1220 HA GLU 68 HA GLU 68 -16.391 -4.413 -8.790 1221 HB2 GLU 68 2HB GLU 68 -15.393 -7.076 -9.775 1222 HB3 GLU 68 1HB GLU 68 -15.441 -6.620 -8.084 1223 HG2 GLU 68 2HG GLU 68 -17.402 -7.830 -8.376 1224 HG3 GLU 68 1HG GLU 68 -17.943 -6.152 -8.505 1225 H VAL 69 H VAL 69 -14.687 -4.353 -7.269 1226 HA VAL 69 HA VAL 69 -12.072 -3.739 -8.477 1227 HB VAL 69 HB VAL 69 -13.185 -2.964 -5.776 1228 HG11 VAL 69 1HG1 VAL 69 -10.732 -3.139 -5.810 1229 HG12 VAL 69 2HG1 VAL 69 -11.252 -1.460 -5.669 1230 HG13 VAL 69 3HG1 VAL 69 -10.686 -2.076 -7.221 1231 HG21 VAL 69 3HG2 VAL 69 -13.031 -1.549 -8.416 1232 HG22 VAL 69 1HG2 VAL 69 -13.087 -0.655 -6.897 1233 HG23 VAL 69 2HG2 VAL 69 -14.414 -1.729 -7.333 1234 H ASP 70 H ASP 70 -10.354 -5.008 -7.990 1235 HA ASP 70 HA ASP 70 -10.824 -7.272 -6.182 1236 HB2 ASP 70 2HB ASP 70 -10.095 -7.726 -8.517 1237 HB3 ASP 70 1HB ASP 70 -8.583 -6.893 -8.169 1238 H PHE 71 H PHE 71 -9.118 -7.998 -4.793 1239 HA PHE 71 HA PHE 71 -8.296 -6.151 -2.918 1240 HB2 PHE 71 2HB PHE 71 -8.329 -8.726 -2.880 1241 HB3 PHE 71 1HB PHE 71 -6.750 -8.648 -3.638 1242 HD1 PHE 71 1HD PHE 71 -6.424 -5.856 -1.704 1243 HD2 PHE 71 2HD PHE 71 -7.012 -10.077 -1.193 1244 HE1 PHE 71 1HE PHE 71 -5.359 -5.732 0.520 1245 HE2 PHE 71 2HE PHE 71 -5.959 -9.937 1.036 1246 HZ PHE 71 HZ PHE 71 -5.135 -7.770 1.882 1247 H GLN 72 H GLN 72 -6.433 -7.406 -5.724 1248 HA GLN 72 HA GLN 72 -4.044 -5.973 -5.154 1249 HB2 GLN 72 2HB GLN 72 -5.191 -6.926 -7.796 1250 HB3 GLN 72 1HB GLN 72 -3.553 -6.307 -7.581 1251 HG2 GLN 72 2HG GLN 72 -3.077 -8.078 -5.960 1252 HG3 GLN 72 1HG GLN 72 -4.713 -8.691 -6.103 1253 HE21 GLN 72 1HE2 GLN 72 -2.542 -10.375 -6.661 1254 HE22 GLN 72 2HE2 GLN 72 -2.499 -10.695 -8.323 1255 H GLU 73 H GLU 73 -6.955 -5.110 -7.027 1256 HA GLU 73 HA GLU 73 -6.003 -2.643 -8.045 1257 HB2 GLU 73 2HB GLU 73 -8.810 -3.564 -7.406 1258 HB3 GLU 73 1HB GLU 73 -8.422 -2.133 -8.354 1259 HG2 GLU 73 2HG GLU 73 -7.222 -3.592 -9.989 1260 HG3 GLU 73 1HG GLU 73 -7.719 -5.001 -9.057 1261 H TYR 74 H TYR 74 -7.764 -3.557 -5.147 1262 HA TYR 74 HA TYR 74 -8.230 -0.999 -4.028 1263 HB2 TYR 74 2HB TYR 74 -9.352 -3.129 -3.378 1264 HB3 TYR 74 1HB TYR 74 -7.843 -3.671 -2.649 1265 HD1 TYR 74 1HD TYR 74 -10.670 -1.346 -2.397 1266 HD2 TYR 74 2HD TYR 74 -7.006 -2.657 -0.584 1267 HE1 TYR 74 1HE TYR 74 -11.280 -0.166 -0.308 1268 HE2 TYR 74 2HE TYR 74 -7.616 -1.466 1.505 1269 HH TYR 74 HH TYR 74 -9.992 -0.730 2.566 1270 H VAL 75 H VAL 75 -5.679 -3.344 -3.755 1271 HA VAL 75 HA VAL 75 -4.162 -2.115 -1.730 1272 HB VAL 75 HB VAL 75 -3.934 -4.496 -3.299 1273 HG11 VAL 75 1HG1 VAL 75 -2.370 -3.514 -4.828 1274 HG12 VAL 75 2HG1 VAL 75 -1.471 -4.539 -3.715 1275 HG13 VAL 75 3HG1 VAL 75 -1.453 -2.800 -3.514 1276 HG21 VAL 75 3HG2 VAL 75 -2.103 -5.012 -1.631 1277 HG22 VAL 75 1HG2 VAL 75 -3.659 -4.555 -0.936 1278 HG23 VAL 75 2HG2 VAL 75 -2.332 -3.387 -0.991 1279 H VAL 76 H VAL 76 -3.848 -1.889 -5.303 1280 HA VAL 76 HA VAL 76 -1.704 -0.007 -5.050 1281 HB VAL 76 HB VAL 76 -1.954 0.454 -7.400 1282 HG11 VAL 76 1HG1 VAL 76 -2.651 -2.464 -7.165 1283 HG12 VAL 76 2HG1 VAL 76 -1.143 -1.855 -6.481 1284 HG13 VAL 76 3HG1 VAL 76 -1.460 -1.688 -8.208 1285 HG21 VAL 76 3HG2 VAL 76 -3.827 -0.353 -8.714 1286 HG22 VAL 76 1HG2 VAL 76 -4.462 0.615 -7.384 1287 HG23 VAL 76 2HG2 VAL 76 -4.515 -1.140 -7.304 1288 H LEU 77 H LEU 77 -5.244 0.281 -5.138 1289 HA LEU 77 HA LEU 77 -5.399 3.055 -5.529 1290 HB2 LEU 77 2HB LEU 77 -7.405 1.725 -5.518 1291 HB3 LEU 77 1HB LEU 77 -7.121 1.213 -3.865 1292 HG LEU 77 HG LEU 77 -7.393 3.579 -3.108 1293 HD11 LEU 77 1HD1 LEU 77 -8.115 4.063 -6.009 1294 HD12 LEU 77 2HD1 LEU 77 -6.792 4.799 -5.121 1295 HD13 LEU 77 3HD1 LEU 77 -8.456 5.183 -4.699 1296 HD21 LEU 77 3HD2 LEU 77 -9.589 2.196 -4.630 1297 HD22 LEU 77 1HD2 LEU 77 -9.887 3.681 -3.726 1298 HD23 LEU 77 2HD2 LEU 77 -9.309 2.239 -2.888 1299 H VAL 78 H VAL 78 -5.234 1.310 -2.381 1300 HA VAL 78 HA VAL 78 -5.076 3.786 -0.961 1301 HB VAL 78 HB VAL 78 -4.525 2.505 1.034 1302 HG11 VAL 78 1HG1 VAL 78 -6.534 0.805 0.738 1303 HG12 VAL 78 2HG1 VAL 78 -6.767 1.701 -0.767 1304 HG13 VAL 78 3HG1 VAL 78 -6.800 2.548 0.784 1305 HG21 VAL 78 3HG2 VAL 78 -4.515 0.021 -0.712 1306 HG22 VAL 78 1HG2 VAL 78 -4.204 0.121 1.017 1307 HG23 VAL 78 2HG2 VAL 78 -3.051 0.806 -0.121 1308 H ALA 79 H ALA 79 -2.602 1.572 -2.210 1309 HA ALA 79 HA ALA 79 -0.469 2.850 -0.774 1310 HB1 ALA 79 1HB ALA 79 -0.598 0.566 -2.118 1311 HB2 ALA 79 2HB ALA 79 0.919 1.405 -1.854 1312 HB3 ALA 79 3HB ALA 79 0.078 1.563 -3.400 1313 H ALA 80 H ALA 80 -1.643 3.214 -4.113 1314 HA ALA 80 HA ALA 80 0.204 5.214 -4.869 1315 HB1 ALA 80 1HB ALA 80 -1.522 5.739 -6.644 1316 HB2 ALA 80 2HB ALA 80 -2.560 4.525 -5.893 1317 HB3 ALA 80 3HB ALA 80 -1.005 4.052 -6.583 1318 H LEU 81 H LEU 81 -3.037 5.310 -3.376 1319 HA LEU 81 HA LEU 81 -3.167 8.166 -3.382 1320 HB2 LEU 81 2HB LEU 81 -4.682 6.004 -2.010 1321 HB3 LEU 81 1HB LEU 81 -4.762 7.624 -1.327 1322 HG LEU 81 HG LEU 81 -5.680 8.552 -3.321 1323 HD11 LEU 81 1HD1 LEU 81 -6.061 6.919 -5.342 1324 HD12 LEU 81 2HD1 LEU 81 -4.695 6.053 -4.658 1325 HD13 LEU 81 3HD1 LEU 81 -4.513 7.728 -5.156 1326 HD21 LEU 81 3HD2 LEU 81 -7.719 7.287 -3.679 1327 HD22 LEU 81 1HD2 LEU 81 -7.273 7.154 -1.979 1328 HD23 LEU 81 2HD2 LEU 81 -6.963 5.812 -3.083 1329 H THR 82 H THR 82 -1.701 5.794 -1.199 1330 HA THR 82 HA THR 82 -1.257 7.582 0.957 1331 HB THR 82 HB THR 82 0.488 5.264 0.097 1332 HG1 THR 82 1HG THR 82 -1.246 4.179 0.526 1333 HG21 THR 82 3HG2 THR 82 1.709 6.145 1.817 1334 HG22 THR 82 1HG2 THR 82 0.520 5.291 2.798 1335 HG23 THR 82 2HG2 THR 82 0.330 7.016 2.493 1336 H VAL 83 H VAL 83 0.890 6.671 -1.772 1337 HA VAL 83 HA VAL 83 2.927 8.515 -0.981 1338 HB VAL 83 HB VAL 83 3.433 6.674 -2.550 1339 HG11 VAL 83 1HG1 VAL 83 2.056 8.341 -4.668 1340 HG12 VAL 83 2HG1 VAL 83 1.318 6.937 -3.914 1341 HG13 VAL 83 3HG1 VAL 83 2.773 6.745 -4.848 1342 HG21 VAL 83 3HG2 VAL 83 4.626 9.030 -2.418 1343 HG22 VAL 83 1HG2 VAL 83 3.984 9.213 -4.053 1344 HG23 VAL 83 2HG2 VAL 83 5.074 7.878 -3.673 1345 H ALA 84 H ALA 84 0.123 8.840 -3.106 1346 HA ALA 84 HA ALA 84 0.755 11.446 -4.046 1347 HB1 ALA 84 1HB ALA 84 -1.440 11.503 -4.901 1348 HB2 ALA 84 2HB ALA 84 -2.037 10.380 -3.678 1349 HB3 ALA 84 3HB ALA 84 -0.980 9.802 -4.967 1350 H CYS 85 H CHC 85 -0.689 10.182 -1.151 1351 HA CYS 85 HA CHC 85 -1.870 12.588 -0.211 1352 HB2 CYS 85 2HB CHC 85 -2.435 10.297 0.632 1353 HB3 CYS 85 1HB CHC 85 -0.858 10.245 1.418 1354 H ASN 86 H ASN 86 1.182 10.899 0.668 1355 HA ASN 86 HA ASN 86 2.125 12.949 2.356 1356 HB2 ASN 86 2HB ASN 86 3.162 10.649 2.011 1357 HB3 ASN 86 1HB ASN 86 3.887 11.297 0.542 1358 HD21 ASN 86 1HD2 ASN 86 5.946 12.144 0.863 1359 HD22 ASN 86 2HD2 ASN 86 6.518 12.788 2.324 1360 H ASN 87 H ASN 87 2.366 12.482 -1.152 1361 HA ASN 87 HA ASN 87 3.997 14.719 -1.747 1362 HB2 ASN 87 2HB ASN 87 1.809 13.390 -3.364 1363 HB3 ASN 87 1HB ASN 87 2.950 14.566 -4.007 1364 HD21 ASN 87 1HD2 ASN 87 2.848 11.893 -5.028 1365 HD22 ASN 87 2HD2 ASN 87 4.290 11.106 -4.604 1366 H PHE 88 H PHE 88 0.523 14.370 -1.259 1367 HA PHE 88 HA PHE 88 -0.222 16.963 -2.085 1368 HB2 PHE 88 2HB PHE 88 -1.813 15.087 -1.759 1369 HB3 PHE 88 1HB PHE 88 -1.569 15.216 -0.017 1370 HD1 PHE 88 1HD PHE 88 -2.869 16.954 -3.020 1371 HD2 PHE 88 2HD PHE 88 -2.540 17.010 1.263 1372 HE1 PHE 88 1HE PHE 88 -4.553 18.771 -2.914 1373 HE2 PHE 88 2HE PHE 88 -4.225 18.827 1.368 1374 HZ PHE 88 HZ PHE 88 -5.231 19.707 -0.721 1375 H PHE 89 H PHE 89 0.583 15.664 1.140 1376 HA PHE 89 HA PHE 89 0.096 18.079 2.527 1377 HB2 PHE 89 2HB PHE 89 0.251 15.854 3.604 1378 HB3 PHE 89 1HB PHE 89 1.985 15.844 3.282 1379 HD1 PHE 89 1HD PHE 89 -0.728 17.531 5.157 1380 HD2 PHE 89 2HD PHE 89 3.512 17.193 4.565 1381 HE1 PHE 89 1HE PHE 89 -0.335 18.853 7.219 1382 HE2 PHE 89 2HE PHE 89 3.905 18.515 6.627 1383 HZ PHE 89 HZ PHE 89 1.981 19.345 7.954 1384 H TRP 90 H TRP 90 3.225 16.631 1.506 1385 HA TRP 90 HA TRP 90 4.762 18.877 2.318 1386 HB2 TRP 90 2HB TRP 90 5.758 16.658 1.942 1387 HB3 TRP 90 1HB TRP 90 5.475 16.853 0.205 1388 HD1 TRP 90 HD TRP 90 6.622 18.979 -0.960 1389 HE1 TRP 90 1HE TRP 90 8.855 20.162 -0.469 1390 HE3 TRP 90 3HE TRP 90 7.472 17.264 3.759 1391 HZ2 TRP 90 2HZ TRP 90 10.762 20.347 1.666 1392 HZ3 TRP 90 3HZ TRP 90 9.499 17.957 5.005 1393 HH2 TRP 90 HH TRP 90 11.144 19.495 3.965 1394 H GLU 91 H GLU 91 3.353 17.988 -0.766 1395 HA GLU 91 HA GLU 91 4.371 20.455 -1.977 1396 HB2 GLU 91 2HB GLU 91 4.168 17.865 -2.886 1397 HB3 GLU 91 1HB GLU 91 2.765 18.613 -3.637 1398 HG2 GLU 91 2HG GLU 91 5.584 19.732 -3.774 1399 HG3 GLU 91 1HG GLU 91 4.843 18.752 -5.037 1400 H ASN 92 H ASN 92 3.037 22.037 -2.842 1401 HA ASN 92 HA ASN 92 0.648 22.631 -1.539 1402 HB2 ASN 92 2HB ASN 92 1.631 23.549 -4.249 1403 HB3 ASN 92 1HB ASN 92 0.286 24.278 -3.373 1404 HD21 ASN 92 1HD2 ASN 92 2.639 25.787 -4.001 1405 HD22 ASN 92 2HD2 ASN 92 3.443 26.146 -2.549 1406 H SER 93 H SER 93 1.213 20.818 -4.501 1407 HA SER 93 HA SER 93 -1.581 19.918 -4.432 1408 HB2 SER 93 2HB SER 93 -1.837 21.566 -6.072 1409 HB3 SER 93 1HB SER 93 -0.220 21.307 -6.724 1410 HG SER 93 HG SER 93 -1.304 19.026 -7.022 1411 H1 HCS 201 1HT CHC 85 0.347 -14.536 7.780 1412 H2 HCS 201 2HT CHC 85 -0.359 -13.964 9.216 1413 H HCS 201 3HT CHC 85 1.074 -14.877 9.274 1414 HCA HCS 201 HH CHC 85 2.379 -13.135 8.840 1415 HB2 HCS 201 1HZ CHC 85 1.841 -12.927 6.540 1416 HB3 HCS 201 2HZ CHC 85 1.543 -11.321 7.205 1417 HG2 HCS 201 1HE CHC 85 -0.881 -12.051 7.528 1418 HG3 HCS 201 2HE CHC 85 -0.491 -13.465 6.549 1419 H1 HCS 201 1HT CHC 85 -2.134 15.373 5.574 1420 H2 HCS 201 2HT CHC 85 -1.839 14.992 7.203 1421 H HCS 201 3HT CHC 85 -3.221 15.883 6.772 1422 HCA HCS 201 HH CHC 85 -4.395 14.079 6.228 1423 HB2 HCS 201 1HZ CHC 85 -3.278 13.599 4.193 1424 HB3 HCS 201 2HZ CHC 85 -3.190 12.092 5.105 1425 HG2 HCS 201 1HE CHC 85 -0.924 12.897 5.958 1426 HG3 HCS 201 2HE CHC 85 -1.020 14.174 4.746 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.469 2.627 10.452 2 HA2 GLY 1 2HA GLY 1 -13.142 5.422 9.893 3 HA3 GLY 1 1HA GLY 1 -12.701 4.753 11.458 4 H SER 2 H SER 2 -10.955 5.748 12.129 5 HA SER 2 HA SER 2 -9.005 6.947 10.458 6 HB2 SER 2 2HB SER 2 -7.838 7.455 12.503 7 HB3 SER 2 1HB SER 2 -9.564 7.678 12.775 8 HG SER 2 HG SER 2 -9.210 5.215 13.347 9 H GLU 3 H GLU 3 -9.361 3.682 11.547 10 HA GLU 3 HA GLU 3 -6.696 2.917 11.854 11 HB2 GLU 3 2HB GLU 3 -9.042 1.331 10.827 12 HB3 GLU 3 1HB GLU 3 -7.485 0.628 11.265 13 HG2 GLU 3 2HG GLU 3 -7.716 1.570 13.538 14 HG3 GLU 3 1HG GLU 3 -9.300 2.210 13.103 15 H LEU 4 H LEU 4 -8.583 3.048 8.785 16 HA LEU 4 HA LEU 4 -6.518 1.801 7.278 17 HB2 LEU 4 2HB LEU 4 -8.977 2.375 6.626 18 HB3 LEU 4 1HB LEU 4 -8.311 3.937 6.159 19 HG LEU 4 HG LEU 4 -7.462 1.216 5.127 20 HD11 LEU 4 1HD1 LEU 4 -9.641 2.389 4.320 21 HD12 LEU 4 2HD1 LEU 4 -8.529 1.715 3.130 22 HD13 LEU 4 3HD1 LEU 4 -8.539 3.449 3.440 23 HD21 LEU 4 3HD2 LEU 4 -6.268 3.944 4.746 24 HD22 LEU 4 1HD2 LEU 4 -6.164 2.739 3.463 25 HD23 LEU 4 2HD2 LEU 4 -5.476 2.390 5.043 26 H GLU 5 H GLU 5 -7.264 5.175 8.120 27 HA GLU 5 HA GLU 5 -5.070 6.313 6.717 28 HB2 GLU 5 2HB GLU 5 -6.737 7.360 9.009 29 HB3 GLU 5 1HB GLU 5 -5.437 8.290 8.265 30 HG2 GLU 5 2HG GLU 5 -7.837 7.167 6.788 31 HG3 GLU 5 1HG GLU 5 -7.650 8.847 7.280 32 H THR 6 H THR 6 -5.451 5.021 9.988 33 HA THR 6 HA THR 6 -3.016 5.986 11.024 34 HB THR 6 HB THR 6 -4.329 3.322 11.632 35 HG1 THR 6 1HG THR 6 -5.008 4.899 13.466 36 HG21 THR 6 3HG2 THR 6 -3.247 3.719 13.866 37 HG22 THR 6 1HG2 THR 6 -2.407 5.098 13.156 38 HG23 THR 6 2HG2 THR 6 -2.096 3.470 12.553 39 H ALA 7 H ALA 7 -3.850 3.106 9.156 40 HA ALA 7 HA ALA 7 -1.255 1.943 9.163 41 HB1 ALA 7 1HB ALA 7 -2.085 0.446 7.582 42 HB2 ALA 7 2HB ALA 7 -3.126 1.656 6.835 43 HB3 ALA 7 3HB ALA 7 -3.559 0.962 8.396 44 H MET 8 H MET 8 -2.911 4.110 6.876 45 HA MET 8 HA MET 8 -0.850 4.267 4.946 46 HB2 MET 8 2HB MET 8 -2.991 6.237 5.799 47 HB3 MET 8 1HB MET 8 -1.977 6.457 4.373 48 HG2 MET 8 2HG MET 8 -2.791 4.368 3.412 49 HG3 MET 8 1HG MET 8 -3.720 4.020 4.852 50 HE1 MET 8 3HE MET 8 -3.240 5.964 1.699 51 HE2 MET 8 1HE MET 8 -3.243 7.409 2.722 52 HE3 MET 8 2HE MET 8 -4.564 7.119 1.595 53 H GLU 9 H GLU 9 -1.456 6.137 7.898 54 HA GLU 9 HA GLU 9 0.687 7.960 7.549 55 HB2 GLU 9 2HB GLU 9 -0.750 7.031 10.046 56 HB3 GLU 9 1HB GLU 9 0.458 8.315 10.027 57 HG2 GLU 9 2HG GLU 9 -2.101 8.316 8.401 58 HG3 GLU 9 1HG GLU 9 -1.852 9.217 9.891 59 H THR 10 H THR 10 0.423 4.721 8.992 60 HA THR 10 HA THR 10 3.005 4.741 10.165 61 HB THR 10 HB THR 10 1.472 2.385 9.075 62 HG1 THR 10 1HG THR 10 0.373 2.418 10.890 63 HG21 THR 10 3HG2 THR 10 3.581 2.526 11.248 64 HG22 THR 10 1HG2 THR 10 3.907 2.017 9.587 65 HG23 THR 10 2HG2 THR 10 2.822 1.071 10.609 66 H LEU 11 H LEU 11 1.812 3.791 6.927 67 HA LEU 11 HA LEU 11 4.274 2.789 5.965 68 HB2 LEU 11 2HB LEU 11 2.235 4.340 4.349 69 HB3 LEU 11 1HB LEU 11 3.430 3.213 3.725 70 HG LEU 11 HG LEU 11 1.029 2.566 5.440 71 HD11 LEU 11 1HD1 LEU 11 0.249 1.347 3.537 72 HD12 LEU 11 2HD1 LEU 11 1.791 1.548 2.706 73 HD13 LEU 11 3HD1 LEU 11 0.741 2.941 2.964 74 HD21 LEU 11 3HD2 LEU 11 1.851 0.151 4.959 75 HD22 LEU 11 1HD2 LEU 11 2.607 1.052 6.273 76 HD23 LEU 11 2HD2 LEU 11 3.424 0.899 4.708 77 H ILE 12 H ILE 12 2.847 6.018 6.037 78 HA ILE 12 HA ILE 12 4.957 7.353 4.696 79 HB ILE 12 HB ILE 12 3.008 8.398 6.757 80 HG12 ILE 12 2HG1 ILE 12 3.000 8.672 3.740 81 HG13 ILE 12 1HG1 ILE 12 2.074 7.453 4.589 82 HG21 ILE 12 1HG2 ILE 12 3.594 10.618 5.712 83 HG22 ILE 12 2HG2 ILE 12 4.933 9.811 4.896 84 HG23 ILE 12 3HG2 ILE 12 4.894 9.892 6.658 85 HD11 ILE 12 3HD1 ILE 12 1.812 10.325 5.409 86 HD12 ILE 12 1HD1 ILE 12 0.628 9.023 5.525 87 HD13 ILE 12 2HD1 ILE 12 0.971 9.765 3.961 88 H ASN 13 H ASN 13 4.418 6.786 8.163 89 HA ASN 13 HA ASN 13 6.611 8.260 9.097 90 HB2 ASN 13 2HB ASN 13 5.224 5.854 10.272 91 HB3 ASN 13 1HB ASN 13 6.392 6.848 11.141 92 HD21 ASN 13 1HD2 ASN 13 3.680 6.636 12.033 93 HD22 ASN 13 2HD2 ASN 13 2.930 8.144 11.822 94 H VAL 14 H VAL 14 6.437 4.806 8.134 95 HA VAL 14 HA VAL 14 9.157 4.399 8.944 96 HB VAL 14 HB VAL 14 9.025 2.192 7.949 97 HG11 VAL 14 1HG1 VAL 14 6.373 2.854 9.251 98 HG12 VAL 14 2HG1 VAL 14 7.886 2.672 10.137 99 HG13 VAL 14 3HG1 VAL 14 7.205 1.298 9.262 100 HG21 VAL 14 3HG2 VAL 14 6.291 2.936 6.920 101 HG22 VAL 14 1HG2 VAL 14 7.161 1.434 6.650 102 HG23 VAL 14 2HG2 VAL 14 7.725 2.925 5.896 103 H PHE 15 H PHE 15 7.560 5.210 5.857 104 HA PHE 15 HA PHE 15 9.893 4.995 4.282 105 HB2 PHE 15 2HB PHE 15 7.715 5.228 3.198 106 HB3 PHE 15 1HB PHE 15 7.576 6.874 3.834 107 HD1 PHE 15 1HD PHE 15 9.761 4.681 1.716 108 HD2 PHE 15 2HD PHE 15 8.614 8.689 2.755 109 HE1 PHE 15 1HE PHE 15 11.200 5.568 -0.106 110 HE2 PHE 15 2HE PHE 15 10.021 9.568 0.917 111 HZ PHE 15 HZ PHE 15 11.315 8.011 -0.513 112 H HIS 16 H HIS 16 8.554 7.625 6.162 113 HA HIS 16 HA HIS 16 10.614 9.441 5.445 114 HB2 HIS 16 2HB HIS 16 8.430 10.219 6.362 115 HB3 HIS 16 1HB HIS 16 8.849 9.474 7.905 116 HD1 HIS 16 1HD HIS 16 10.563 10.673 9.389 117 HD2 HIS 16 2HD HIS 16 10.012 12.539 5.700 118 HE1 HIS 16 1HE HIS 16 11.740 12.911 9.534 119 HE2 HIS 16 2HE HIS 16 11.413 14.060 7.294 120 H ALA 17 H ALA 17 10.224 6.993 7.885 121 HA ALA 17 HA ALA 17 12.330 7.797 9.532 122 HB1 ALA 17 1HB ALA 17 12.348 5.572 10.388 123 HB2 ALA 17 2HB ALA 17 11.670 4.908 8.896 124 HB3 ALA 17 3HB ALA 17 10.674 5.918 9.961 125 H HIS 18 H HIS 18 12.434 5.499 6.707 126 HA HIS 18 HA HIS 18 15.355 5.558 7.065 127 HB2 HIS 18 2HB HIS 18 15.555 4.029 5.158 128 HB3 HIS 18 1HB HIS 18 14.505 3.421 6.427 129 HD1 HIS 18 1HD HIS 18 14.028 2.118 3.807 130 HD2 HIS 18 2HD HIS 18 12.205 5.641 4.899 131 HE1 HIS 18 1HE HIS 18 11.915 2.298 2.409 132 HE2 HIS 18 2HE HIS 18 10.889 4.536 2.949 133 H SER 19 H SER 19 13.163 6.802 4.418 134 HA SER 19 HA SER 19 15.344 7.785 2.926 135 HB2 SER 19 2HB SER 19 13.049 7.649 2.008 136 HB3 SER 19 1HB SER 19 12.581 8.995 3.037 137 HG SER 19 HG SER 19 14.818 9.188 1.302 138 H GLY 20 H GLY 20 13.427 9.178 5.548 139 HA2 GLY 20 2HA GLY 20 14.662 11.749 5.590 140 HA3 GLY 20 1HA GLY 20 13.694 11.048 6.853 141 H LYS 21 H LYS 21 15.181 8.780 7.486 142 HA LYS 21 HA LYS 21 17.108 9.855 9.230 143 HB2 LYS 21 2HB LYS 21 16.043 7.709 9.595 144 HB3 LYS 21 1HB LYS 21 16.869 7.025 8.195 145 HG2 LYS 21 2HG LYS 21 19.032 7.477 9.337 146 HG3 LYS 21 1HG LYS 21 18.143 8.106 10.722 147 HD2 LYS 21 2HD LYS 21 18.668 5.775 11.150 148 HD3 LYS 21 1HD LYS 21 16.938 5.916 10.883 149 HE2 LYS 21 2HE LYS 21 18.494 5.451 8.416 150 HE3 LYS 21 1HE LYS 21 18.583 4.130 9.583 151 HZ1 LYS 21 3HZ LYS 21 16.448 3.612 9.275 152 HZ2 LYS 21 1HZ LYS 21 16.572 4.504 7.840 153 HZ3 LYS 21 2HZ LYS 21 15.942 5.233 9.239 154 H GLU 22 H GLU 22 17.568 8.341 6.000 155 HA GLU 22 HA GLU 22 20.318 9.463 6.071 156 HB2 GLU 22 2HB GLU 22 19.491 6.794 5.000 157 HB3 GLU 22 1HB GLU 22 21.072 7.517 4.718 158 HG2 GLU 22 2HG GLU 22 21.394 7.651 7.182 159 HG3 GLU 22 1HG GLU 22 19.855 6.839 7.393 160 H GLY 23 H GLY 23 21.261 10.066 4.099 161 HA2 GLY 23 2HA GLY 23 21.292 11.107 2.053 162 HA3 GLY 23 1HA GLY 23 20.230 9.802 1.546 163 H ASP 24 H ASP 24 18.977 11.025 0.184 164 HA ASP 24 HA ASP 24 17.781 13.511 0.949 165 HB2 ASP 24 2HB ASP 24 17.143 11.573 -1.281 166 HB3 ASP 24 1HB ASP 24 16.379 13.149 -1.095 167 H LYS 25 H LYS 25 15.825 13.905 1.829 168 HA LYS 25 HA LYS 25 14.648 11.951 3.424 169 HB2 LYS 25 2HB LYS 25 13.438 14.558 2.509 170 HB3 LYS 25 1HB LYS 25 12.879 13.574 3.870 171 HG2 LYS 25 2HG LYS 25 15.206 13.802 4.893 172 HG3 LYS 25 1HG LYS 25 15.583 14.976 3.635 173 HD2 LYS 25 2HD LYS 25 13.259 15.227 5.573 174 HD3 LYS 25 1HD LYS 25 14.812 16.037 5.763 175 HE2 LYS 25 2HE LYS 25 14.285 16.844 3.272 176 HE3 LYS 25 1HE LYS 25 12.623 16.569 3.797 177 HZ1 LYS 25 3HZ LYS 25 13.101 17.963 5.752 178 HZ2 LYS 25 1HZ LYS 25 13.240 18.811 4.290 179 HZ3 LYS 25 2HZ LYS 25 14.638 18.306 5.112 180 H TYR 26 H TYR 26 13.845 12.944 0.165 181 HA TYR 26 HA TYR 26 11.484 11.178 0.244 182 HB2 TYR 26 2HB TYR 26 12.221 13.377 -1.685 183 HB3 TYR 26 1HB TYR 26 10.770 12.376 -1.793 184 HD1 TYR 26 2HD TYR 26 9.109 12.390 0.089 185 HD2 TYR 26 1HD TYR 26 12.364 15.184 -0.123 186 HE1 TYR 26 2HE TYR 26 7.972 13.838 1.749 187 HE2 TYR 26 1HE TYR 26 11.228 16.631 1.540 188 HH TYR 26 HH TYR 26 8.007 15.790 2.804 189 H LYS 27 H LYS 27 14.456 10.365 -0.268 190 HA LYS 27 HA LYS 27 13.688 8.664 -2.537 191 HB2 LYS 27 2HB LYS 27 15.050 10.646 -3.461 192 HB3 LYS 27 1HB LYS 27 16.416 9.928 -2.626 193 HG2 LYS 27 2HG LYS 27 16.508 9.057 -4.836 194 HG3 LYS 27 1HG LYS 27 15.833 7.759 -3.852 195 HD2 LYS 27 2HD LYS 27 13.620 8.140 -4.657 196 HD3 LYS 27 1HD LYS 27 14.012 9.718 -5.299 197 HE2 LYS 27 2HE LYS 27 15.660 8.399 -6.828 198 HE3 LYS 27 1HE LYS 27 14.671 7.004 -6.378 199 HZ1 LYS 27 3HZ LYS 27 12.982 9.141 -7.023 200 HZ2 LYS 27 1HZ LYS 27 13.147 7.652 -7.818 201 HZ3 LYS 27 2HZ LYS 27 14.116 8.971 -8.277 202 H LEU 28 H LEU 28 14.479 6.621 -2.411 203 HA LEU 28 HA LEU 28 16.012 6.041 0.037 204 HB2 LEU 28 2HB LEU 28 13.603 5.323 -0.259 205 HB3 LEU 28 1HB LEU 28 14.172 4.265 -1.500 206 HG LEU 28 HG LEU 28 15.697 3.168 0.150 207 HD11 LEU 28 1HD1 LEU 28 15.742 4.926 1.939 208 HD12 LEU 28 2HD1 LEU 28 15.157 3.398 2.536 209 HD13 LEU 28 3HD1 LEU 28 14.015 4.691 2.192 210 HD21 LEU 28 3HD2 LEU 28 12.701 3.194 0.516 211 HD22 LEU 28 1HD2 LEU 28 13.750 2.028 1.295 212 HD23 LEU 28 2HD2 LEU 28 13.655 2.093 -0.465 213 H SER 29 H SER 29 17.923 5.010 -0.074 214 HA SER 29 HA SER 29 18.805 4.051 -2.713 215 HB2 SER 29 2HB SER 29 21.081 4.297 -1.851 216 HB3 SER 29 1HB SER 29 20.189 5.807 -1.694 217 HG SER 29 HG SER 29 19.674 4.922 0.497 218 H LYS 30 H LYS 30 20.260 2.092 -2.655 219 HA LYS 30 HA LYS 30 18.895 -0.121 -1.753 220 HB2 LYS 30 2HB LYS 30 20.774 -0.152 -3.384 221 HB3 LYS 30 1HB LYS 30 21.887 0.060 -2.033 222 HG2 LYS 30 2HG LYS 30 20.940 -2.040 -1.005 223 HG3 LYS 30 1HG LYS 30 19.990 -2.263 -2.471 224 HD2 LYS 30 2HD LYS 30 21.998 -3.567 -2.721 225 HD3 LYS 30 1HD LYS 30 22.145 -2.164 -3.781 226 HE2 LYS 30 2HE LYS 30 23.844 -1.246 -2.551 227 HE3 LYS 30 1HE LYS 30 23.156 -1.756 -1.002 228 HZ1 LYS 30 3HZ LYS 30 23.859 -4.070 -2.347 229 HZ2 LYS 30 1HZ LYS 30 24.638 -3.385 -1.005 230 HZ3 LYS 30 2HZ LYS 30 25.162 -3.003 -2.577 231 H LYS 31 H LYS 31 21.656 1.467 -0.216 232 HA LYS 31 HA LYS 31 21.956 -0.333 1.887 233 HB2 LYS 31 2HB LYS 31 23.199 1.442 2.983 234 HB3 LYS 31 1HB LYS 31 23.545 1.495 1.252 235 HG2 LYS 31 2HG LYS 31 21.740 3.222 1.016 236 HG3 LYS 31 1HG LYS 31 21.607 3.250 2.770 237 HD2 LYS 31 2HD LYS 31 23.989 3.743 2.888 238 HD3 LYS 31 1HD LYS 31 24.025 3.977 1.147 239 HE2 LYS 31 2HE LYS 31 22.386 5.774 1.336 240 HE3 LYS 31 1HE LYS 31 22.208 5.475 3.065 241 HZ1 LYS 31 3HZ LYS 31 24.933 5.875 2.319 242 HZ2 LYS 31 1HZ LYS 31 24.013 6.665 3.504 243 HZ3 LYS 31 2HZ LYS 31 23.968 7.206 1.894 244 H GLU 32 H GLU 32 20.084 2.697 1.681 245 HA GLU 32 HA GLU 32 19.109 2.631 4.315 246 HB2 GLU 32 2HB GLU 32 17.754 3.804 1.874 247 HB3 GLU 32 1HB GLU 32 17.342 4.149 3.556 248 HG2 GLU 32 2HG GLU 32 19.664 4.936 3.927 249 HG3 GLU 32 1HG GLU 32 19.988 4.708 2.223 250 H LEU 33 H LEU 33 17.416 1.341 1.304 251 HA LEU 33 HA LEU 33 15.216 0.432 2.871 252 HB2 LEU 33 2HB LEU 33 15.084 -1.557 1.167 253 HB3 LEU 33 1HB LEU 33 14.591 0.022 0.705 254 HG LEU 33 HG LEU 33 17.392 -0.119 0.152 255 HD11 LEU 33 1HD1 LEU 33 15.778 -2.457 -0.960 256 HD12 LEU 33 2HD1 LEU 33 17.192 -2.571 0.093 257 HD13 LEU 33 3HD1 LEU 33 17.359 -1.970 -1.548 258 HD21 LEU 33 3HD2 LEU 33 16.009 1.346 -1.149 259 HD22 LEU 33 1HD2 LEU 33 14.863 0.055 -1.516 260 HD23 LEU 33 2HD2 LEU 33 16.448 0.055 -2.267 261 H LYS 34 H LYS 34 18.386 -1.016 2.211 262 HA LYS 34 HA LYS 34 17.828 -3.534 3.253 263 HB2 LYS 34 2HB LYS 34 20.033 -2.842 2.258 264 HB3 LYS 34 1HB LYS 34 20.378 -1.974 3.750 265 HG2 LYS 34 2HG LYS 34 21.437 -4.062 4.063 266 HG3 LYS 34 1HG LYS 34 19.917 -4.227 4.941 267 HD2 LYS 34 2HD LYS 34 18.911 -5.421 3.067 268 HD3 LYS 34 1HD LYS 34 20.339 -5.129 2.084 269 HE2 LYS 34 2HE LYS 34 20.927 -7.217 2.801 270 HE3 LYS 34 1HE LYS 34 21.464 -6.356 4.246 271 HZ1 LYS 34 3HZ LYS 34 20.085 -7.951 5.116 272 HZ2 LYS 34 1HZ LYS 34 19.008 -7.910 3.807 273 HZ3 LYS 34 2HZ LYS 34 19.003 -6.651 4.948 274 H GLU 35 H GLU 35 18.423 -0.449 4.878 275 HA GLU 35 HA GLU 35 18.484 -1.615 7.504 276 HB2 GLU 35 2HB GLU 35 18.058 1.224 6.563 277 HB3 GLU 35 1HB GLU 35 18.233 0.749 8.252 278 HG2 GLU 35 2HG GLU 35 20.445 -0.250 7.721 279 HG3 GLU 35 1HG GLU 35 20.275 0.306 6.057 280 H LEU 36 H LEU 36 15.920 0.044 5.567 281 HA LEU 36 HA LEU 36 14.058 -0.003 7.730 282 HB2 LEU 36 2HB LEU 36 13.867 1.406 5.600 283 HB3 LEU 36 1HB LEU 36 13.213 -0.045 4.825 284 HG LEU 36 HG LEU 36 12.099 1.135 7.423 285 HD11 LEU 36 1HD1 LEU 36 11.163 1.555 4.590 286 HD12 LEU 36 2HD1 LEU 36 11.721 2.780 5.726 287 HD13 LEU 36 3HD1 LEU 36 10.213 1.943 6.011 288 HD21 LEU 36 3HD2 LEU 36 10.056 -0.222 6.272 289 HD22 LEU 36 1HD2 LEU 36 11.174 -0.948 7.402 290 HD23 LEU 36 2HD2 LEU 36 11.402 -1.170 5.679 291 H LEU 37 H LEU 37 14.391 -2.256 4.913 292 HA LEU 37 HA LEU 37 12.172 -3.807 5.661 293 HB2 LEU 37 2HB LEU 37 14.658 -4.596 4.133 294 HB3 LEU 37 1HB LEU 37 13.344 -5.720 4.446 295 HG LEU 37 HG LEU 37 13.293 -4.508 2.189 296 HD11 LEU 37 1HD1 LEU 37 10.920 -4.451 2.142 297 HD12 LEU 37 2HD1 LEU 37 10.817 -3.993 3.840 298 HD13 LEU 37 3HD1 LEU 37 11.321 -5.622 3.396 299 HD21 LEU 37 3HD2 LEU 37 13.888 -2.274 3.056 300 HD22 LEU 37 1HD2 LEU 37 12.358 -2.213 3.908 301 HD23 LEU 37 2HD2 LEU 37 12.384 -2.255 2.155 302 H GLN 38 H GLN 38 15.579 -4.050 6.641 303 HA GLN 38 HA GLN 38 15.237 -6.382 8.213 304 HB2 GLN 38 2HB GLN 38 17.270 -4.158 8.393 305 HB3 GLN 38 1HB GLN 38 17.343 -5.643 9.342 306 HG2 GLN 38 2HG GLN 38 17.424 -6.983 7.296 307 HG3 GLN 38 1HG GLN 38 17.279 -5.528 6.310 308 HE21 GLN 38 1HE2 GLN 38 19.562 -7.365 6.235 309 HE22 GLN 38 2HE2 GLN 38 20.920 -6.484 6.742 310 H THR 39 H THR 39 14.937 -2.911 9.008 311 HA THR 39 HA THR 39 14.613 -3.375 11.805 312 HB THR 39 HB THR 39 13.854 -1.051 11.907 313 HG1 THR 39 1HG THR 39 13.514 0.082 10.031 314 HG21 THR 39 3HG2 THR 39 16.314 -1.922 10.533 315 HG22 THR 39 1HG2 THR 39 16.110 -0.799 11.878 316 HG23 THR 39 2HG2 THR 39 15.875 -0.243 10.223 317 H GLU 40 H GLU 40 12.248 -2.985 9.162 318 HA GLU 40 HA GLU 40 10.058 -3.320 11.076 319 HB2 GLU 40 2HB GLU 40 10.071 -2.814 8.102 320 HB3 GLU 40 1HB GLU 40 8.620 -3.025 9.067 321 HG2 GLU 40 2HG GLU 40 10.711 -0.903 9.616 322 HG3 GLU 40 1HG GLU 40 9.222 -0.617 8.717 323 H LEU 41 H LEU 41 11.212 -4.943 8.102 324 HA LEU 41 HA LEU 41 9.568 -7.272 8.837 325 HB2 LEU 41 2HB LEU 41 10.994 -6.750 6.224 326 HB3 LEU 41 1HB LEU 41 9.802 -7.997 6.544 327 HG LEU 41 HG LEU 41 9.346 -5.006 6.432 328 HD11 LEU 41 1HD1 LEU 41 7.736 -6.999 4.902 329 HD12 LEU 41 2HD1 LEU 41 9.397 -6.745 4.382 330 HD13 LEU 41 3HD1 LEU 41 8.275 -5.387 4.434 331 HD21 LEU 41 3HD2 LEU 41 7.882 -5.584 8.161 332 HD22 LEU 41 1HD2 LEU 41 7.621 -7.213 7.525 333 HD23 LEU 41 2HD2 LEU 41 6.875 -5.826 6.737 334 H SER 42 H SER 42 10.361 -9.286 9.127 335 HA SER 42 HA SER 42 13.314 -9.522 9.205 336 HB2 SER 42 2HB SER 42 11.167 -10.435 11.043 337 HB3 SER 42 1HB SER 42 12.499 -11.557 10.780 338 HG SER 42 HG SER 42 13.763 -9.425 11.099 339 H GLY 43 H GLY 43 10.496 -11.687 9.066 340 HA2 GLY 43 2HA GLY 43 11.747 -13.795 7.743 341 HA3 GLY 43 1HA GLY 43 10.017 -13.522 7.796 342 H PHE 44 H PHE 44 10.000 -11.017 6.288 343 HA PHE 44 HA PHE 44 9.798 -12.094 3.707 344 HB2 PHE 44 2HB PHE 44 10.012 -9.239 4.653 345 HB3 PHE 44 1HB PHE 44 9.724 -9.670 2.970 346 HD1 PHE 44 1HD PHE 44 7.646 -10.742 2.268 347 HD2 PHE 44 2HD PHE 44 8.280 -9.646 6.385 348 HE1 PHE 44 1HE PHE 44 5.233 -11.065 2.735 349 HE2 PHE 44 2HE PHE 44 5.870 -9.967 6.836 350 HZ PHE 44 HZ PHE 44 4.346 -10.676 5.015 351 H LEU 45 H LEU 45 12.373 -9.913 4.946 352 HA LEU 45 HA LEU 45 13.933 -10.266 2.545 353 HB2 LEU 45 2HB LEU 45 14.174 -8.671 5.015 354 HB3 LEU 45 1HB LEU 45 15.716 -9.246 4.388 355 HG LEU 45 HG LEU 45 14.964 -7.002 3.476 356 HD11 LEU 45 1HD1 LEU 45 16.007 -9.350 2.097 357 HD12 LEU 45 2HD1 LEU 45 16.489 -7.657 1.959 358 HD13 LEU 45 3HD1 LEU 45 15.166 -8.274 0.971 359 HD21 LEU 45 3HD2 LEU 45 12.510 -8.241 3.150 360 HD22 LEU 45 1HD2 LEU 45 13.164 -8.287 1.509 361 HD23 LEU 45 2HD2 LEU 45 13.002 -6.753 2.353 362 H ASP 46 H ASP 46 13.941 -11.666 5.742 363 HA ASP 46 HA ASP 46 16.384 -12.996 5.596 364 HB2 ASP 46 2HB ASP 46 14.998 -12.759 7.659 365 HB3 ASP 46 1HB ASP 46 13.901 -13.980 7.015 366 H ALA 47 H ALA 47 13.299 -13.765 4.172 367 HA ALA 47 HA ALA 47 13.549 -16.487 3.735 368 HB1 ALA 47 1HB ALA 47 11.512 -15.191 3.250 369 HB2 ALA 47 2HB ALA 47 11.997 -16.176 1.868 370 HB3 ALA 47 3HB ALA 47 12.321 -14.442 1.874 371 H GLN 48 H GLN 48 15.171 -13.841 2.027 372 HA GLN 48 HA GLN 48 16.138 -15.734 -0.004 373 HB2 GLN 48 2HB GLN 48 16.800 -12.805 0.334 374 HB3 GLN 48 1HB GLN 48 17.101 -13.810 -1.087 375 HG2 GLN 48 2HG GLN 48 14.397 -13.034 0.042 376 HG3 GLN 48 1HG GLN 48 15.106 -12.481 -1.476 377 HE21 GLN 48 1HE2 GLN 48 12.808 -14.553 -0.394 378 HE22 GLN 48 2HE2 GLN 48 12.908 -15.759 -1.586 379 H LYS 49 H LYS 49 17.885 -16.900 0.412 380 HA LYS 49 HA LYS 49 19.541 -16.554 2.649 381 HB2 LYS 49 2HB LYS 49 19.957 -18.167 0.135 382 HB3 LYS 49 1HB LYS 49 20.972 -18.287 1.573 383 HG2 LYS 49 2HG LYS 49 18.936 -18.836 2.913 384 HG3 LYS 49 1HG LYS 49 17.993 -18.833 1.423 385 HD2 LYS 49 2HD LYS 49 19.508 -20.600 0.512 386 HD3 LYS 49 1HD LYS 49 20.324 -20.658 2.075 387 HE2 LYS 49 2HE LYS 49 17.338 -21.023 1.851 388 HE3 LYS 49 1HE LYS 49 18.447 -22.380 1.661 389 HZ1 LYS 49 3HZ LYS 49 18.651 -22.498 3.846 390 HZ2 LYS 49 1HZ LYS 49 17.538 -21.232 4.030 391 HZ3 LYS 49 2HZ LYS 49 19.199 -20.891 3.920 392 H ASP 50 H ASP 50 20.016 -15.495 -0.698 393 HA ASP 50 HA ASP 50 22.766 -14.870 -0.364 394 HB2 ASP 50 2HB ASP 50 20.764 -13.885 -2.390 395 HB3 ASP 50 1HB ASP 50 22.495 -13.542 -2.440 396 H VAL 51 H VAL 51 23.829 -13.007 0.057 397 HA VAL 51 HA VAL 51 22.486 -11.025 1.657 398 HB VAL 51 HB VAL 51 24.635 -10.051 1.980 399 HG11 VAL 51 1HG1 VAL 51 24.139 -12.597 2.671 400 HG12 VAL 51 2HG1 VAL 51 25.673 -11.807 3.031 401 HG13 VAL 51 3HG1 VAL 51 25.538 -12.871 1.632 402 HG21 VAL 51 3HG2 VAL 51 25.448 -11.584 -0.506 403 HG22 VAL 51 1HG2 VAL 51 26.605 -10.818 0.579 404 HG23 VAL 51 2HG2 VAL 51 25.422 -9.837 -0.282 405 H ASP 52 H ASP 52 23.455 -11.407 -1.640 406 HA ASP 52 HA ASP 52 23.197 -8.626 -2.376 407 HB2 ASP 52 2HB ASP 52 23.411 -11.162 -4.017 408 HB3 ASP 52 1HB ASP 52 23.366 -9.539 -4.705 409 H ALA 53 H ALA 53 21.051 -10.871 -1.415 410 HA ALA 53 HA ALA 53 18.991 -10.883 -3.294 411 HB1 ALA 53 1HB ALA 53 19.043 -12.288 -1.265 412 HB2 ALA 53 2HB ALA 53 17.526 -11.394 -1.422 413 HB3 ALA 53 3HB ALA 53 18.756 -10.850 -0.281 414 H VAL 54 H VAL 54 19.851 -8.481 -0.821 415 HA VAL 54 HA VAL 54 17.542 -6.877 -1.051 416 HB VAL 54 HB VAL 54 19.371 -6.640 0.684 417 HG11 VAL 54 1HG1 VAL 54 21.176 -6.699 -1.157 418 HG12 VAL 54 2HG1 VAL 54 21.392 -5.503 0.118 419 HG13 VAL 54 3HG1 VAL 54 20.763 -5.012 -1.453 420 HG21 VAL 54 3HG2 VAL 54 19.354 -3.996 0.358 421 HG22 VAL 54 1HG2 VAL 54 17.870 -4.858 0.764 422 HG23 VAL 54 2HG2 VAL 54 18.189 -4.377 -0.907 423 H ASP 55 H ASP 55 20.621 -6.887 -2.819 424 HA ASP 55 HA ASP 55 20.087 -4.637 -4.435 425 HB2 ASP 55 2HB ASP 55 22.320 -5.765 -4.192 426 HB3 ASP 55 1HB ASP 55 21.708 -7.079 -5.195 427 H LYS 56 H LYS 56 19.430 -8.093 -4.815 428 HA LYS 56 HA LYS 56 18.336 -7.960 -7.414 429 HB2 LYS 56 2HB LYS 56 17.764 -9.871 -5.139 430 HB3 LYS 56 1HB LYS 56 17.232 -10.109 -6.804 431 HG2 LYS 56 2HG LYS 56 19.614 -9.981 -7.542 432 HG3 LYS 56 1HG LYS 56 20.101 -9.876 -5.849 433 HD2 LYS 56 2HD LYS 56 18.960 -12.056 -5.427 434 HD3 LYS 56 1HD LYS 56 18.615 -12.175 -7.153 435 HE2 LYS 56 2HE LYS 56 20.936 -12.294 -7.707 436 HE3 LYS 56 1HE LYS 56 21.419 -11.809 -6.081 437 HZ1 LYS 56 3HZ LYS 56 21.242 -14.353 -6.936 438 HZ2 LYS 56 1HZ LYS 56 19.741 -14.152 -6.174 439 HZ3 LYS 56 2HZ LYS 56 21.176 -13.875 -5.308 440 H VAL 57 H VAL 57 16.883 -7.543 -4.212 441 HA VAL 57 HA VAL 57 14.189 -7.433 -5.071 442 HB VAL 57 HB VAL 57 15.557 -6.262 -2.641 443 HG11 VAL 57 1HG1 VAL 57 13.567 -4.984 -2.930 444 HG12 VAL 57 2HG1 VAL 57 13.152 -6.236 -1.759 445 HG13 VAL 57 3HG1 VAL 57 12.645 -6.398 -3.441 446 HG21 VAL 57 3HG2 VAL 57 14.840 -8.203 -1.497 447 HG22 VAL 57 1HG2 VAL 57 15.384 -8.826 -3.058 448 HG23 VAL 57 2HG2 VAL 57 13.663 -8.609 -2.750 449 H MET 58 H MET 58 16.575 -4.853 -4.474 450 HA MET 58 HA MET 58 14.770 -2.749 -4.993 451 HB2 MET 58 2HB MET 58 16.504 -1.285 -4.644 452 HB3 MET 58 1HB MET 58 17.008 -2.699 -3.734 453 HG2 MET 58 2HG MET 58 18.961 -2.367 -4.858 454 HG3 MET 58 1HG MET 58 18.140 -3.265 -6.126 455 HE1 MET 58 3HE MET 58 20.131 0.046 -5.568 456 HE2 MET 58 1HE MET 58 18.759 -0.059 -4.455 457 HE3 MET 58 2HE MET 58 18.805 1.202 -5.685 458 H LYS 59 H LYS 59 16.822 -4.531 -7.295 459 HA LYS 59 HA LYS 59 16.686 -2.601 -9.348 460 HB2 LYS 59 2HB LYS 59 16.788 -5.614 -9.649 461 HB3 LYS 59 1HB LYS 59 17.087 -4.449 -10.938 462 HG2 LYS 59 2HG LYS 59 18.699 -4.612 -8.398 463 HG3 LYS 59 1HG LYS 59 19.174 -5.283 -9.954 464 HD2 LYS 59 2HD LYS 59 18.536 -2.742 -10.714 465 HD3 LYS 59 1HD LYS 59 19.070 -2.448 -9.057 466 HE2 LYS 59 2HE LYS 59 20.616 -3.994 -11.126 467 HE3 LYS 59 1HE LYS 59 20.937 -2.315 -10.688 468 HZ1 LYS 59 3HZ LYS 59 20.985 -3.392 -8.292 469 HZ2 LYS 59 1HZ LYS 59 22.368 -3.340 -9.272 470 HZ3 LYS 59 2HZ LYS 59 21.448 -4.766 -9.179 471 H GLU 60 H GLU 60 14.436 -5.153 -8.393 472 HA GLU 60 HA GLU 60 12.630 -4.830 -10.552 473 HB2 GLU 60 2HB GLU 60 12.622 -6.762 -8.985 474 HB3 GLU 60 1HB GLU 60 12.021 -5.698 -7.717 475 HG2 GLU 60 2HG GLU 60 10.057 -5.156 -9.148 476 HG3 GLU 60 1HG GLU 60 10.639 -6.312 -10.342 477 H LEU 61 H LEU 61 12.937 -3.294 -7.402 478 HA LEU 61 HA LEU 61 10.510 -1.839 -7.532 479 HB2 LEU 61 2HB LEU 61 12.996 -1.180 -5.947 480 HB3 LEU 61 1HB LEU 61 11.391 -0.516 -5.672 481 HG LEU 61 HG LEU 61 12.226 -3.409 -5.342 482 HD11 LEU 61 1HD1 LEU 61 11.034 -1.670 -3.217 483 HD12 LEU 61 2HD1 LEU 61 12.744 -1.491 -3.610 484 HD13 LEU 61 3HD1 LEU 61 12.126 -3.045 -3.055 485 HD21 LEU 61 3HD2 LEU 61 9.827 -3.465 -4.313 486 HD22 LEU 61 1HD2 LEU 61 9.998 -3.636 -6.048 487 HD23 LEU 61 2HD2 LEU 61 9.519 -2.083 -5.340 488 H ASP 62 H ASP 62 13.786 -1.061 -8.600 489 HA ASP 62 HA ASP 62 13.120 1.685 -9.022 490 HB2 ASP 62 2HB ASP 62 15.458 0.747 -8.785 491 HB3 ASP 62 1HB ASP 62 15.296 0.166 -10.442 492 H GLU 63 H GLU 63 11.003 1.218 -10.073 493 HA GLU 63 HA GLU 63 10.904 0.193 -12.747 494 HB2 GLU 63 2HB GLU 63 8.861 0.508 -11.375 495 HB3 GLU 63 1HB GLU 63 9.122 2.254 -11.405 496 HG2 GLU 63 2HG GLU 63 8.984 2.232 -13.863 497 HG3 GLU 63 1HG GLU 63 8.687 0.504 -13.831 498 H ASN 64 H ASN 64 11.429 3.154 -11.187 499 HA ASN 64 HA ASN 64 11.513 4.967 -13.270 500 HB2 ASN 64 2HB ASN 64 11.345 5.471 -10.906 501 HB3 ASN 64 1HB ASN 64 12.932 4.792 -10.627 502 HD21 ASN 64 1HD2 ASN 64 11.488 7.312 -12.782 503 HD22 ASN 64 2HD2 ASN 64 12.749 8.420 -12.527 504 H GLY 65 H GLY 65 14.024 2.842 -11.934 505 HA2 GLY 65 2HA GLY 65 15.908 1.987 -12.978 506 HA3 GLY 65 1HA GLY 65 15.504 2.925 -14.406 507 H ASP 66 H ASP 66 15.699 4.690 -11.427 508 HA ASP 66 HA ASP 66 18.063 6.060 -12.459 509 HB2 ASP 66 2HB ASP 66 17.595 7.714 -10.704 510 HB3 ASP 66 1HB ASP 66 16.156 7.384 -11.667 511 H GLY 67 H GLY 67 17.726 3.376 -10.624 512 HA2 GLY 67 2HA GLY 67 19.458 2.223 -9.537 513 HA3 GLY 67 1HA GLY 67 20.371 3.728 -9.443 514 H GLU 68 H GLU 68 17.406 4.555 -8.541 515 HA GLU 68 HA GLU 68 17.832 4.021 -5.664 516 HB2 GLU 68 2HB GLU 68 16.710 6.462 -7.016 517 HB3 GLU 68 1HB GLU 68 16.589 6.174 -5.289 518 HG2 GLU 68 2HG GLU 68 18.452 7.555 -5.461 519 HG3 GLU 68 1HG GLU 68 19.178 5.943 -5.402 520 H VAL 69 H VAL 69 15.935 3.982 -4.367 521 HA VAL 69 HA VAL 69 13.560 3.013 -5.814 522 HB VAL 69 HB VAL 69 14.333 2.629 -2.916 523 HG11 VAL 69 1HG1 VAL 69 12.523 0.947 -2.918 524 HG12 VAL 69 2HG1 VAL 69 12.119 1.412 -4.568 525 HG13 VAL 69 3HG1 VAL 69 11.914 2.569 -3.247 526 HG21 VAL 69 3HG2 VAL 69 14.536 0.203 -3.763 527 HG22 VAL 69 1HG2 VAL 69 15.857 1.330 -4.057 528 HG23 VAL 69 2HG2 VAL 69 14.717 0.950 -5.351 529 H ASP 70 H ASP 70 11.771 4.290 -5.750 530 HA ASP 70 HA ASP 70 11.965 6.716 -4.081 531 HB2 ASP 70 2HB ASP 70 11.698 7.010 -6.527 532 HB3 ASP 70 1HB ASP 70 10.141 6.225 -6.421 533 H PHE 71 H PHE 71 10.010 7.602 -3.166 534 HA PHE 71 HA PHE 71 8.838 5.977 -1.271 535 HB2 PHE 71 2HB PHE 71 8.851 8.538 -1.539 536 HB3 PHE 71 1HB PHE 71 7.462 8.326 -2.587 537 HD1 PHE 71 1HD PHE 71 6.763 5.776 -0.427 538 HD2 PHE 71 2HD PHE 71 7.200 10.043 -0.340 539 HE1 PHE 71 1HE PHE 71 5.275 5.883 1.535 540 HE2 PHE 71 2HE PHE 71 5.714 10.135 1.631 541 HZ PHE 71 HZ PHE 71 4.761 8.061 2.559 542 H GLN 72 H GLN 72 7.601 6.832 -4.518 543 HA GLN 72 HA GLN 72 5.152 5.420 -4.278 544 HB2 GLN 72 2HB GLN 72 6.815 6.085 -6.724 545 HB3 GLN 72 1HB GLN 72 5.167 5.455 -6.775 546 HG2 GLN 72 2HG GLN 72 4.375 7.393 -5.495 547 HG3 GLN 72 1HG GLN 72 6.004 8.025 -5.391 548 HE21 GLN 72 1HE2 GLN 72 3.979 9.573 -6.556 549 HE22 GLN 72 2HE2 GLN 72 4.265 9.700 -8.219 550 H GLU 73 H GLU 73 8.392 4.421 -5.371 551 HA GLU 73 HA GLU 73 7.688 1.831 -6.270 552 HB2 GLU 73 2HB GLU 73 10.283 2.871 -5.129 553 HB3 GLU 73 1HB GLU 73 10.108 1.348 -5.990 554 HG2 GLU 73 2HG GLU 73 9.305 2.632 -7.990 555 HG3 GLU 73 1HG GLU 73 9.624 4.129 -7.114 556 H TYR 74 H TYR 74 8.791 3.104 -3.176 557 HA TYR 74 HA TYR 74 8.956 0.696 -1.703 558 HB2 TYR 74 2HB TYR 74 9.964 2.845 -1.003 559 HB3 TYR 74 1HB TYR 74 8.350 3.515 -0.766 560 HD1 TYR 74 1HD TYR 74 10.795 1.017 0.462 561 HD2 TYR 74 2HD TYR 74 7.011 2.933 1.133 562 HE1 TYR 74 1HE TYR 74 10.731 0.091 2.762 563 HE2 TYR 74 2HE TYR 74 6.946 2.005 3.430 564 HH TYR 74 HH TYR 74 9.183 -0.401 4.499 565 H VAL 75 H VAL 75 6.446 3.035 -2.243 566 HA VAL 75 HA VAL 75 4.514 2.045 -0.467 567 HB VAL 75 HB VAL 75 4.654 4.197 -2.344 568 HG11 VAL 75 1HG1 VAL 75 2.274 2.438 -2.890 569 HG12 VAL 75 2HG1 VAL 75 3.476 2.983 -4.042 570 HG13 VAL 75 3HG1 VAL 75 2.360 4.136 -3.316 571 HG21 VAL 75 3HG2 VAL 75 2.604 3.354 -0.297 572 HG22 VAL 75 1HG2 VAL 75 2.461 4.848 -1.220 573 HG23 VAL 75 2HG2 VAL 75 3.851 4.601 -0.162 574 H VAL 76 H VAL 76 5.010 1.340 -3.955 575 HA VAL 76 HA VAL 76 2.848 -0.536 -3.928 576 HB VAL 76 HB VAL 76 3.623 -1.322 -6.074 577 HG11 VAL 76 1HG1 VAL 76 3.343 0.690 -7.275 578 HG12 VAL 76 2HG1 VAL 76 4.187 1.642 -6.055 579 HG13 VAL 76 3HG1 VAL 76 2.567 1.023 -5.726 580 HG21 VAL 76 3HG2 VAL 76 6.083 -1.317 -5.424 581 HG22 VAL 76 1HG2 VAL 76 6.056 0.415 -5.715 582 HG23 VAL 76 2HG2 VAL 76 5.729 -0.694 -7.034 583 H LEU 77 H LEU 77 6.334 -0.786 -3.171 584 HA LEU 77 HA LEU 77 6.463 -3.596 -3.121 585 HB2 LEU 77 2HB LEU 77 8.480 -2.299 -2.829 586 HB3 LEU 77 1HB LEU 77 7.849 -1.552 -1.372 587 HG LEU 77 HG LEU 77 7.828 -3.862 -0.301 588 HD11 LEU 77 1HD1 LEU 77 9.855 -4.831 -2.245 589 HD12 LEU 77 2HD1 LEU 77 8.178 -4.949 -2.757 590 HD13 LEU 77 3HD1 LEU 77 8.703 -5.730 -1.275 591 HD21 LEU 77 3HD2 LEU 77 10.425 -3.890 -0.180 592 HD22 LEU 77 1HD2 LEU 77 9.555 -2.469 0.399 593 HD23 LEU 77 2HD2 LEU 77 10.317 -2.448 -1.190 594 H VAL 78 H VAL 78 5.615 -1.408 -0.384 595 HA VAL 78 HA VAL 78 5.080 -3.652 1.302 596 HB VAL 78 HB VAL 78 3.976 -2.111 2.863 597 HG11 VAL 78 1HG1 VAL 78 6.005 -0.495 3.020 598 HG12 VAL 78 2HG1 VAL 78 6.646 -1.447 1.678 599 HG13 VAL 78 3HG1 VAL 78 6.256 -2.229 3.215 600 HG21 VAL 78 3HG2 VAL 78 2.955 -0.599 1.116 601 HG22 VAL 78 1HG2 VAL 78 4.556 0.096 0.861 602 HG23 VAL 78 2HG2 VAL 78 3.769 0.245 2.426 603 H ALA 79 H ALA 79 3.009 -1.721 -0.842 604 HA ALA 79 HA ALA 79 0.570 -2.848 0.165 605 HB1 ALA 79 1HB ALA 79 1.068 -0.783 -1.440 606 HB2 ALA 79 2HB ALA 79 -0.480 -1.606 -1.422 607 HB3 ALA 79 3HB ALA 79 0.708 -1.982 -2.676 608 H ALA 80 H ALA 80 2.569 -3.673 -2.660 609 HA ALA 80 HA ALA 80 0.957 -5.808 -3.560 610 HB1 ALA 80 1HB ALA 80 3.088 -6.541 -4.722 611 HB2 ALA 80 2HB ALA 80 3.890 -5.181 -3.934 612 HB3 ALA 80 3HB ALA 80 2.565 -4.889 -5.066 613 H LEU 81 H LEU 81 3.684 -5.593 -1.283 614 HA LEU 81 HA LEU 81 3.803 -8.400 -0.828 615 HB2 LEU 81 2HB LEU 81 4.890 -6.001 0.559 616 HB3 LEU 81 1HB LEU 81 4.771 -7.493 1.486 617 HG LEU 81 HG LEU 81 6.096 -8.691 -0.175 618 HD11 LEU 81 1HD1 LEU 81 5.266 -7.248 -2.147 619 HD12 LEU 81 2HD1 LEU 81 6.946 -7.758 -2.167 620 HD13 LEU 81 3HD1 LEU 81 6.535 -6.122 -1.687 621 HD21 LEU 81 3HD2 LEU 81 8.239 -7.504 0.096 622 HD22 LEU 81 1HD2 LEU 81 7.301 -7.473 1.589 623 HD23 LEU 81 2HD2 LEU 81 7.370 -6.041 0.560 624 H THR 82 H THR 82 1.809 -5.793 0.527 625 HA THR 82 HA THR 82 0.755 -7.283 2.698 626 HB THR 82 HB THR 82 -0.639 -5.138 1.084 627 HG1 THR 82 1HG THR 82 0.291 -3.760 2.661 628 HG21 THR 82 3HG2 THR 82 -1.245 -6.602 3.574 629 HG22 THR 82 1HG2 THR 82 -2.314 -5.667 2.526 630 HG23 THR 82 2HG2 THR 82 -1.323 -4.849 3.733 631 H VAL 83 H VAL 83 -0.560 -6.803 -0.612 632 HA VAL 83 HA VAL 83 -2.779 -8.551 -0.155 633 HB VAL 83 HB VAL 83 -2.791 -6.990 -2.066 634 HG11 VAL 83 1HG1 VAL 83 -0.941 -8.905 -3.490 635 HG12 VAL 83 2HG1 VAL 83 -0.361 -7.447 -2.702 636 HG13 VAL 83 3HG1 VAL 83 -1.490 -7.318 -4.017 637 HG21 VAL 83 3HG2 VAL 83 -4.014 -9.320 -1.929 638 HG22 VAL 83 1HG2 VAL 83 -2.927 -9.744 -3.255 639 HG23 VAL 83 2HG2 VAL 83 -4.051 -8.394 -3.429 640 H ALA 84 H ALA 84 0.510 -9.139 -1.334 641 HA ALA 84 HA ALA 84 0.106 -11.874 -1.995 642 HB1 ALA 84 1HB ALA 84 2.720 -10.753 -1.021 643 HB2 ALA 84 2HB ALA 84 2.077 -10.324 -2.607 644 HB3 ALA 84 3HB ALA 84 2.432 -12.009 -2.225 645 H CYS 85 H CHC 85 0.742 -10.150 0.966 646 HA CYS 85 HA CHC 85 1.555 -12.365 2.543 647 HB2 CYS 85 2HB CHC 85 1.730 -9.815 3.049 648 HB3 CYS 85 1HB CHC 85 0.086 -9.990 3.661 649 H ASN 86 H ASN 86 -1.587 -10.644 2.257 650 HA ASN 86 HA ASN 86 -3.014 -12.438 3.895 651 HB2 ASN 86 2HB ASN 86 -3.869 -10.249 2.911 652 HB3 ASN 86 1HB ASN 86 -4.152 -11.139 1.416 653 HD21 ASN 86 1HD2 ASN 86 -6.202 -12.061 1.263 654 HD22 ASN 86 2HD2 ASN 86 -7.190 -12.459 2.585 655 H ASN 87 H ASN 87 -2.235 -12.516 0.428 656 HA ASN 87 HA ASN 87 -3.680 -14.867 -0.252 657 HB2 ASN 87 2HB ASN 87 -1.078 -13.785 -1.364 658 HB3 ASN 87 1HB ASN 87 -2.074 -15.019 -2.129 659 HD21 ASN 87 1HD2 ASN 87 -4.662 -13.934 -1.670 660 HD22 ASN 87 2HD2 ASN 87 -4.796 -12.467 -2.512 661 H PHE 88 H PHE 88 -0.375 -14.453 1.051 662 HA PHE 88 HA PHE 88 0.168 -17.226 0.831 663 HB2 PHE 88 2HB PHE 88 1.943 -15.512 1.190 664 HB3 PHE 88 1HB PHE 88 1.347 -15.255 2.830 665 HD1 PHE 88 1HD PHE 88 2.933 -17.699 0.541 666 HD2 PHE 88 2HD PHE 88 1.765 -16.850 4.586 667 HE1 PHE 88 1HE PHE 88 4.274 -19.628 1.333 668 HE2 PHE 88 2HE PHE 88 3.106 -18.781 5.378 669 HZ PHE 88 HZ PHE 88 4.360 -20.170 3.752 670 H PHE 89 H PHE 89 -1.253 -15.284 3.474 671 HA PHE 89 HA PHE 89 -1.287 -17.384 5.364 672 HB2 PHE 89 2HB PHE 89 -1.612 -14.992 5.923 673 HB3 PHE 89 1HB PHE 89 -3.200 -15.053 5.159 674 HD1 PHE 89 1HD PHE 89 -1.144 -16.344 7.957 675 HD2 PHE 89 2HD PHE 89 -5.071 -16.131 6.229 676 HE1 PHE 89 1HE PHE 89 -2.115 -17.248 10.053 677 HE2 PHE 89 2HE PHE 89 -6.042 -17.036 8.324 678 HZ PHE 89 HZ PHE 89 -4.564 -17.595 10.236 679 H TRP 90 H TRP 90 -4.089 -16.133 3.436 680 HA TRP 90 HA TRP 90 -5.721 -18.373 4.163 681 HB2 TRP 90 2HB TRP 90 -6.718 -16.245 3.422 682 HB3 TRP 90 1HB TRP 90 -6.092 -16.543 1.794 683 HD1 TRP 90 HD TRP 90 -6.882 -18.846 0.618 684 HE1 TRP 90 1HE TRP 90 -9.101 -20.114 0.762 685 HE3 TRP 90 3HE TRP 90 -8.757 -16.786 4.885 686 HZ2 TRP 90 2HZ TRP 90 -11.407 -20.233 2.473 687 HZ3 TRP 90 3HZ TRP 90 -10.968 -17.492 5.754 688 HH2 TRP 90 HH TRP 90 -12.293 -19.212 4.554 689 H GLU 91 H GLU 91 -3.816 -17.597 1.340 690 HA GLU 91 HA GLU 91 -4.387 -20.205 0.138 691 HB2 GLU 91 2HB GLU 91 -3.235 -17.629 -0.884 692 HB3 GLU 91 1HB GLU 91 -3.000 -19.078 -1.777 693 HG2 GLU 91 2HG GLU 91 -5.641 -17.844 -0.946 694 HG3 GLU 91 1HG GLU 91 -4.967 -17.826 -2.570 695 H ASN 92 H ASN 92 -2.789 -21.668 -0.419 696 HA ASN 92 HA ASN 92 -0.042 -21.128 0.493 697 HB2 ASN 92 2HB ASN 92 0.101 -23.173 1.715 698 HB3 ASN 92 1HB ASN 92 -1.361 -22.360 2.275 699 HD21 ASN 92 1HD2 ASN 92 -1.142 -25.162 2.579 700 HD22 ASN 92 2HD2 ASN 92 -2.226 -25.922 1.516 701 H SER 93 H SER 93 1.272 -23.298 -0.099 702 HA SER 93 HA SER 93 1.271 -23.410 -2.941 703 HB2 SER 93 2HB SER 93 2.711 -24.997 -0.818 704 HB3 SER 93 1HB SER 93 2.934 -25.304 -2.537 705 HG SER 93 HG SER 93 3.698 -23.129 -0.974 706 H1 GLY 1 H GLY 1 9.500 -1.174 13.417 707 HA2 GLY 1 2HA GLY 1 10.250 -4.006 13.376 708 HA3 GLY 1 1HA GLY 1 9.450 -3.162 14.695 709 H SER 2 H SER 2 7.577 -4.095 15.035 710 HA SER 2 HA SER 2 6.076 -5.514 13.093 711 HB2 SER 2 2HB SER 2 4.437 -5.790 14.838 712 HB3 SER 2 1HB SER 2 6.041 -5.956 15.546 713 HG SER 2 HG SER 2 5.595 -3.447 15.715 714 H GLU 3 H GLU 3 6.205 -2.138 13.837 715 HA GLU 3 HA GLU 3 3.557 -1.380 13.391 716 HB2 GLU 3 2HB GLU 3 6.107 0.106 12.785 717 HB3 GLU 3 1HB GLU 3 4.500 0.833 12.743 718 HG2 GLU 3 2HG GLU 3 4.155 0.173 15.100 719 HG3 GLU 3 1HG GLU 3 5.788 -0.492 15.143 720 H LEU 4 H LEU 4 6.135 -1.850 10.913 721 HA LEU 4 HA LEU 4 4.517 -0.823 8.811 722 HB2 LEU 4 2HB LEU 4 7.052 -1.434 8.852 723 HB3 LEU 4 1HB LEU 4 6.497 -3.051 8.426 724 HG LEU 4 HG LEU 4 5.966 -0.485 6.901 725 HD11 LEU 4 1HD1 LEU 4 8.258 -1.715 6.797 726 HD12 LEU 4 2HD1 LEU 4 7.481 -1.205 5.300 727 HD13 LEU 4 3HD1 LEU 4 7.389 -2.889 5.807 728 HD21 LEU 4 3HD2 LEU 4 4.860 -3.256 6.570 729 HD22 LEU 4 1HD2 LEU 4 5.092 -2.217 5.164 730 HD23 LEU 4 2HD2 LEU 4 4.043 -1.690 6.475 731 H GLU 5 H GLU 5 4.986 -4.061 10.205 732 HA GLU 5 HA GLU 5 3.182 -5.391 8.457 733 HB2 GLU 5 2HB GLU 5 4.224 -6.132 11.195 734 HB3 GLU 5 1HB GLU 5 3.132 -7.163 10.272 735 HG2 GLU 5 2HG GLU 5 5.835 -6.189 9.303 736 HG3 GLU 5 1HG GLU 5 5.508 -7.800 9.931 737 H THR 6 H THR 6 2.775 -3.711 11.543 738 HA THR 6 HA THR 6 0.147 -4.580 12.062 739 HB THR 6 HB THR 6 1.310 -1.843 12.649 740 HG1 THR 6 1HG THR 6 1.495 -3.181 14.769 741 HG21 THR 6 3HG2 THR 6 -0.290 -1.987 14.582 742 HG22 THR 6 1HG2 THR 6 -0.952 -3.453 13.859 743 HG23 THR 6 2HG2 THR 6 -1.081 -1.914 13.008 744 H ALA 7 H ALA 7 1.455 -1.935 10.120 745 HA ALA 7 HA ALA 7 -1.047 -0.817 9.359 746 HB1 ALA 7 1HB ALA 7 0.164 0.492 7.859 747 HB2 ALA 7 2HB ALA 7 1.338 -0.783 7.539 748 HB3 ALA 7 3HB ALA 7 1.389 0.099 9.064 749 H MET 8 H MET 8 1.083 -3.216 7.820 750 HA MET 8 HA MET 8 -0.449 -3.635 5.479 751 HB2 MET 8 2HB MET 8 1.392 -5.456 7.056 752 HB3 MET 8 1HB MET 8 0.754 -5.861 5.464 753 HG2 MET 8 2HG MET 8 1.808 -3.890 4.488 754 HG3 MET 8 1HG MET 8 2.363 -3.358 6.058 755 HE1 MET 8 3HE MET 8 2.637 -5.672 3.139 756 HE2 MET 8 1HE MET 8 2.371 -6.984 4.297 757 HE3 MET 8 2HE MET 8 3.930 -6.811 3.499 758 H GLU 9 H GLU 9 -0.607 -5.132 8.693 759 HA GLU 9 HA GLU 9 -2.627 -7.017 8.051 760 HB2 GLU 9 2HB GLU 9 -1.834 -5.772 10.693 761 HB3 GLU 9 1HB GLU 9 -3.018 -7.068 10.534 762 HG2 GLU 9 2HG GLU 9 -0.139 -7.222 9.594 763 HG3 GLU 9 1HG GLU 9 -0.757 -7.943 11.075 764 H THR 10 H THR 10 -2.673 -3.644 9.147 765 HA THR 10 HA THR 10 -5.467 -3.539 9.621 766 HB THR 10 HB THR 10 -3.674 -1.310 8.663 767 HG1 THR 10 1HG THR 10 -3.054 -1.105 10.682 768 HG21 THR 10 3HG2 THR 10 -6.254 -1.218 10.254 769 HG22 THR 10 1HG2 THR 10 -6.156 -0.918 8.515 770 HG23 THR 10 2HG2 THR 10 -5.339 0.161 9.649 771 H LEU 11 H LEU 11 -3.503 -2.964 6.679 772 HA LEU 11 HA LEU 11 -5.641 -2.118 5.037 773 HB2 LEU 11 2HB LEU 11 -3.291 -3.815 4.161 774 HB3 LEU 11 1HB LEU 11 -4.287 -2.796 3.133 775 HG LEU 11 HG LEU 11 -2.377 -1.889 5.294 776 HD11 LEU 11 1HD1 LEU 11 -1.121 -0.923 3.506 777 HD12 LEU 11 2HD1 LEU 11 -2.413 -1.244 2.348 778 HD13 LEU 11 3HD1 LEU 11 -1.489 -2.581 3.031 779 HD21 LEU 11 3HD2 LEU 11 -3.014 0.427 4.299 780 HD22 LEU 11 1HD2 LEU 11 -4.100 -0.296 5.481 781 HD23 LEU 11 2HD2 LEU 11 -4.483 -0.376 3.757 782 H ILE 12 H ILE 12 -4.324 -5.297 5.835 783 HA ILE 12 HA ILE 12 -6.062 -6.813 4.188 784 HB ILE 12 HB ILE 12 -4.692 -7.574 6.772 785 HG12 ILE 12 2HG1 ILE 12 -3.953 -8.207 3.904 786 HG13 ILE 12 1HG1 ILE 12 -3.243 -6.882 4.802 787 HG21 ILE 12 1HG2 ILE 12 -5.039 -9.912 5.891 788 HG22 ILE 12 2HG2 ILE 12 -6.126 -9.229 4.682 789 HG23 ILE 12 3HG2 ILE 12 -6.519 -9.097 6.396 790 HD11 ILE 12 3HD1 ILE 12 -3.232 -9.631 5.998 791 HD12 ILE 12 1HD1 ILE 12 -2.092 -8.308 6.243 792 HD13 ILE 12 2HD1 ILE 12 -2.056 -9.236 4.742 793 H ASN 13 H ASN 13 -6.379 -5.827 7.588 794 HA ASN 13 HA ASN 13 -8.754 -7.211 8.128 795 HB2 ASN 13 2HB ASN 13 -7.660 -4.660 9.310 796 HB3 ASN 13 1HB ASN 13 -9.020 -5.562 9.980 797 HD21 ASN 13 1HD2 ASN 13 -6.605 -5.204 11.475 798 HD22 ASN 13 2HD2 ASN 13 -5.849 -6.716 11.636 799 H VAL 14 H VAL 14 -8.298 -3.895 6.832 800 HA VAL 14 HA VAL 14 -11.128 -3.433 6.899 801 HB VAL 14 HB VAL 14 -10.725 -1.360 5.710 802 HG11 VAL 14 1HG1 VAL 14 -8.480 -1.823 7.690 803 HG12 VAL 14 2HG1 VAL 14 -10.161 -1.557 8.151 804 HG13 VAL 14 3HG1 VAL 14 -9.266 -0.290 7.311 805 HG21 VAL 14 3HG2 VAL 14 -7.834 -2.180 5.476 806 HG22 VAL 14 1HG2 VAL 14 -8.589 -0.735 4.824 807 HG23 VAL 14 2HG2 VAL 14 -8.974 -2.314 4.139 808 H PHE 15 H PHE 15 -8.838 -4.585 4.415 809 HA PHE 15 HA PHE 15 -10.712 -4.594 2.304 810 HB2 PHE 15 2HB PHE 15 -8.340 -4.923 1.820 811 HB3 PHE 15 1HB PHE 15 -8.386 -6.478 2.663 812 HD1 PHE 15 1HD PHE 15 -9.954 -4.586 -0.171 813 HD2 PHE 15 2HD PHE 15 -9.155 -8.424 1.589 814 HE1 PHE 15 1HE PHE 15 -10.919 -5.708 -2.171 815 HE2 PHE 15 2HE PHE 15 -10.085 -9.538 -0.418 816 HZ PHE 15 HZ PHE 15 -10.968 -8.182 -2.296 817 H HIS 16 H HIS 16 -9.912 -6.960 4.755 818 HA HIS 16 HA HIS 16 -11.763 -8.879 3.780 819 HB2 HIS 16 2HB HIS 16 -9.881 -9.509 5.288 820 HB3 HIS 16 1HB HIS 16 -10.652 -8.591 6.582 821 HD1 HIS 16 1HD HIS 16 -12.695 -9.629 7.734 822 HD2 HIS 16 2HD HIS 16 -11.289 -11.913 4.543 823 HE1 HIS 16 1HE HIS 16 -13.905 -11.850 7.855 824 HE2 HIS 16 2HE HIS 16 -13.059 -13.254 5.917 825 H ALA 17 H ALA 17 -11.943 -6.150 5.929 826 HA ALA 17 HA ALA 17 -14.399 -6.782 7.097 827 HB1 ALA 17 1HB ALA 17 -14.592 -4.472 7.650 828 HB2 ALA 17 2HB ALA 17 -13.560 -3.982 6.301 829 HB3 ALA 17 3HB ALA 17 -12.871 -4.842 7.689 830 H HIS 18 H HIS 18 -13.776 -4.841 4.077 831 HA HIS 18 HA HIS 18 -16.696 -4.899 3.718 832 HB2 HIS 18 2HB HIS 18 -16.403 -3.613 1.650 833 HB3 HIS 18 1HB HIS 18 -15.685 -2.842 3.055 834 HD1 HIS 18 1HD HIS 18 -14.563 -1.855 0.494 835 HD2 HIS 18 2HD HIS 18 -13.115 -5.194 2.411 836 HE1 HIS 18 1HE HIS 18 -12.176 -2.170 -0.313 837 HE2 HIS 18 2HE HIS 18 -11.347 -4.311 0.724 838 H SER 19 H SER 19 -13.945 -6.419 1.854 839 HA SER 19 HA SER 19 -15.710 -7.606 0.004 840 HB2 SER 19 2HB SER 19 -13.259 -7.547 -0.336 841 HB3 SER 19 1HB SER 19 -13.076 -8.752 0.930 842 HG SER 19 HG SER 19 -14.824 -9.184 -1.263 843 H GLY 20 H GLY 20 -14.513 -8.646 3.162 844 HA2 GLY 20 2HA GLY 20 -15.758 -11.211 3.207 845 HA3 GLY 20 1HA GLY 20 -15.117 -10.350 4.575 846 H LYS 21 H LYS 21 -16.680 -8.044 4.549 847 HA LYS 21 HA LYS 21 -18.990 -8.931 5.886 848 HB2 LYS 21 2HB LYS 21 -18.014 -6.742 6.240 849 HB3 LYS 21 1HB LYS 21 -18.463 -6.243 4.610 850 HG2 LYS 21 2HG LYS 21 -20.846 -6.586 5.236 851 HG3 LYS 21 1HG LYS 21 -20.331 -7.031 6.860 852 HD2 LYS 21 2HD LYS 21 -20.909 -4.675 6.866 853 HD3 LYS 21 1HD LYS 21 -19.168 -4.822 7.047 854 HE2 LYS 21 2HE LYS 21 -20.069 -4.678 4.238 855 HE3 LYS 21 1HE LYS 21 -20.420 -3.228 5.181 856 HZ1 LYS 21 3HZ LYS 21 -18.267 -2.719 5.344 857 HZ2 LYS 21 1HZ LYS 21 -18.050 -3.780 4.040 858 HZ3 LYS 21 2HZ LYS 21 -17.792 -4.324 5.628 859 H GLU 22 H GLU 22 -18.625 -7.822 2.485 860 HA GLU 22 HA GLU 22 -21.326 -8.968 2.017 861 HB2 GLU 22 2HB GLU 22 -20.222 -6.435 0.869 862 HB3 GLU 22 1HB GLU 22 -21.698 -7.209 0.299 863 HG2 GLU 22 2HG GLU 22 -22.614 -7.052 2.606 864 HG3 GLU 22 1HG GLU 22 -21.161 -6.198 3.088 865 H GLY 23 H GLY 23 -21.769 -9.816 -0.040 866 HA2 GLY 23 2HA GLY 23 -21.316 -11.095 -1.891 867 HA3 GLY 23 1HA GLY 23 -20.142 -9.845 -2.277 868 H ASP 24 H ASP 24 -18.612 -11.202 -3.135 869 HA ASP 24 HA ASP 24 -17.676 -13.559 -1.810 870 HB2 ASP 24 2HB ASP 24 -16.485 -11.895 -4.033 871 HB3 ASP 24 1HB ASP 24 -15.813 -13.426 -3.479 872 H LYS 25 H LYS 25 -16.001 -13.819 -0.440 873 HA LYS 25 HA LYS 25 -15.219 -11.670 1.150 874 HB2 LYS 25 2HB LYS 25 -13.861 -14.351 0.877 875 HB3 LYS 25 1HB LYS 25 -13.637 -13.203 2.206 876 HG2 LYS 25 2HG LYS 25 -16.146 -13.340 2.648 877 HG3 LYS 25 1HG LYS 25 -16.223 -14.662 1.486 878 HD2 LYS 25 2HD LYS 25 -14.447 -14.645 3.949 879 HD3 LYS 25 1HD LYS 25 -16.012 -15.450 3.849 880 HE2 LYS 25 2HE LYS 25 -14.905 -16.542 1.678 881 HE3 LYS 25 1HE LYS 25 -13.416 -16.182 2.555 882 HZ1 LYS 25 3HZ LYS 25 -14.378 -17.338 4.487 883 HZ2 LYS 25 1HZ LYS 25 -14.169 -18.356 3.147 884 HZ3 LYS 25 2HZ LYS 25 -15.717 -17.777 3.539 885 H TYR 26 H TYR 26 -13.660 -13.036 -1.672 886 HA TYR 26 HA TYR 26 -11.363 -11.239 -1.230 887 HB2 TYR 26 2HB TYR 26 -11.641 -13.662 -3.005 888 HB3 TYR 26 1HB TYR 26 -10.193 -12.661 -2.873 889 HD1 TYR 26 2HD TYR 26 -9.041 -12.426 -0.655 890 HD2 TYR 26 1HD TYR 26 -12.189 -15.271 -1.320 891 HE1 TYR 26 2HE TYR 26 -8.366 -13.647 1.392 892 HE2 TYR 26 1HE TYR 26 -11.515 -16.493 0.732 893 HH TYR 26 HH TYR 26 -8.686 -15.459 2.633 894 H LYS 27 H LYS 27 -14.111 -10.536 -2.541 895 HA LYS 27 HA LYS 27 -12.790 -9.106 -4.735 896 HB2 LYS 27 2HB LYS 27 -13.920 -11.204 -5.724 897 HB3 LYS 27 1HB LYS 27 -15.435 -10.405 -5.341 898 HG2 LYS 27 2HG LYS 27 -14.983 -9.799 -7.590 899 HG3 LYS 27 1HG LYS 27 -14.510 -8.390 -6.641 900 HD2 LYS 27 2HD LYS 27 -12.176 -8.906 -6.842 901 HD3 LYS 27 1HD LYS 27 -12.505 -10.546 -7.387 902 HE2 LYS 27 2HE LYS 27 -13.653 -9.395 -9.398 903 HE3 LYS 27 1HE LYS 27 -12.785 -7.948 -8.870 904 HZ1 LYS 27 3HZ LYS 27 -11.015 -10.111 -8.837 905 HZ2 LYS 27 1HZ LYS 27 -10.966 -8.728 -9.818 906 HZ3 LYS 27 2HZ LYS 27 -11.804 -10.110 -10.341 907 H LEU 28 H LEU 28 -13.555 -7.076 -5.061 908 HA LEU 28 HA LEU 28 -15.628 -6.227 -3.147 909 HB2 LEU 28 2HB LEU 28 -13.208 -5.516 -2.932 910 HB3 LEU 28 1HB LEU 28 -13.441 -4.624 -4.391 911 HG LEU 28 HG LEU 28 -15.306 -3.359 -3.306 912 HD11 LEU 28 1HD1 LEU 28 -15.811 -4.889 -1.385 913 HD12 LEU 28 2HD1 LEU 28 -15.366 -3.294 -0.850 914 HD13 LEU 28 3HD1 LEU 28 -14.195 -4.602 -0.748 915 HD21 LEU 28 3HD2 LEU 28 -12.488 -3.297 -2.221 916 HD22 LEU 28 1HD2 LEU 28 -13.678 -2.062 -1.867 917 HD23 LEU 28 2HD2 LEU 28 -13.160 -2.336 -3.529 918 H SER 29 H SER 29 -17.438 -5.247 -3.847 919 HA SER 29 HA SER 29 -17.634 -4.623 -6.715 920 HB2 SER 29 2HB SER 29 -20.055 -4.798 -6.412 921 HB3 SER 29 1HB SER 29 -19.251 -6.266 -5.863 922 HG SER 29 HG SER 29 -19.274 -5.116 -3.736 923 H LYS 30 H LYS 30 -19.029 -2.693 -7.249 924 HA LYS 30 HA LYS 30 -17.893 -0.369 -6.312 925 HB2 LYS 30 2HB LYS 30 -19.316 -0.561 -8.345 926 HB3 LYS 30 1HB LYS 30 -20.728 -0.626 -7.290 927 HG2 LYS 30 2HG LYS 30 -20.029 1.596 -6.321 928 HG3 LYS 30 1HG LYS 30 -18.746 1.655 -7.528 929 HD2 LYS 30 2HD LYS 30 -20.613 2.892 -8.413 930 HD3 LYS 30 1HD LYS 30 -20.518 1.369 -9.302 931 HE2 LYS 30 2HE LYS 30 -22.480 0.580 -8.423 932 HE3 LYS 30 1HE LYS 30 -22.184 1.282 -6.826 933 HZ1 LYS 30 3HZ LYS 30 -22.502 3.408 -8.568 934 HZ2 LYS 30 1HZ LYS 30 -23.594 2.877 -7.385 935 HZ3 LYS 30 2HZ LYS 30 -23.725 2.303 -8.978 936 H LYS 31 H LYS 31 -20.969 -1.802 -5.317 937 HA LYS 31 HA LYS 31 -21.746 0.234 -3.582 938 HB2 LYS 31 2HB LYS 31 -23.248 -1.413 -2.621 939 HB3 LYS 31 1HB LYS 31 -23.160 -1.681 -4.365 940 HG2 LYS 31 2HG LYS 31 -21.375 -3.395 -3.936 941 HG3 LYS 31 1HG LYS 31 -21.686 -3.206 -2.214 942 HD2 LYS 31 2HD LYS 31 -24.024 -3.723 -2.628 943 HD3 LYS 31 1HD LYS 31 -23.637 -4.163 -4.283 944 HE2 LYS 31 2HE LYS 31 -22.120 -5.900 -3.487 945 HE3 LYS 31 1HE LYS 31 -22.366 -5.393 -1.816 946 HZ1 LYS 31 3HZ LYS 31 -24.831 -5.922 -3.151 947 HZ2 LYS 31 1HZ LYS 31 -24.241 -6.550 -1.691 948 HZ3 LYS 31 2HZ LYS 31 -23.810 -7.280 -3.164 949 H GLU 32 H GLU 32 -19.927 -2.773 -2.961 950 HA GLU 32 HA GLU 32 -19.622 -2.379 -0.196 951 HB2 GLU 32 2HB GLU 32 -17.729 -3.815 -2.073 952 HB3 GLU 32 1HB GLU 32 -17.745 -3.949 -0.312 953 HG2 GLU 32 2HG GLU 32 -20.098 -4.723 -0.429 954 HG3 GLU 32 1HG GLU 32 -19.988 -4.709 -2.176 955 H LEU 33 H LEU 33 -17.226 -1.432 -2.834 956 HA LEU 33 HA LEU 33 -15.462 -0.310 -0.899 957 HB2 LEU 33 2HB LEU 33 -14.888 1.463 -2.744 958 HB3 LEU 33 1HB LEU 33 -14.321 -0.153 -2.880 959 HG LEU 33 HG LEU 33 -16.901 -0.120 -4.112 960 HD11 LEU 33 1HD1 LEU 33 -15.028 2.091 -5.069 961 HD12 LEU 33 2HD1 LEU 33 -16.655 2.309 -4.413 962 HD13 LEU 33 3HD1 LEU 33 -16.426 1.514 -5.961 963 HD21 LEU 33 3HD2 LEU 33 -15.264 -1.710 -4.850 964 HD22 LEU 33 1HD2 LEU 33 -14.044 -0.456 -5.079 965 HD23 LEU 33 2HD2 LEU 33 -15.396 -0.569 -6.188 966 H LYS 34 H LYS 34 -18.353 1.001 -2.480 967 HA LYS 34 HA LYS 34 -18.027 3.634 -1.644 968 HB2 LYS 34 2HB LYS 34 -19.934 2.796 -3.056 969 HB3 LYS 34 1HB LYS 34 -20.645 2.108 -1.600 970 HG2 LYS 34 2HG LYS 34 -21.718 4.202 -1.807 971 HG3 LYS 34 1HG LYS 34 -20.455 4.494 -0.611 972 HD2 LYS 34 2HD LYS 34 -19.004 5.469 -2.312 973 HD3 LYS 34 1HD LYS 34 -20.154 5.042 -3.570 974 HE2 LYS 34 2HE LYS 34 -20.867 7.190 -3.274 975 HE3 LYS 34 1HE LYS 34 -21.752 6.500 -1.912 976 HZ1 LYS 34 3HZ LYS 34 -20.604 8.209 -0.928 977 HZ2 LYS 34 1HZ LYS 34 -19.240 8.027 -1.920 978 HZ3 LYS 34 2HZ LYS 34 -19.534 6.914 -0.670 979 H GLU 35 H GLU 35 -19.047 0.757 0.146 980 HA GLU 35 HA GLU 35 -19.730 2.228 2.518 981 HB2 GLU 35 2HB GLU 35 -19.131 -0.697 2.057 982 HB3 GLU 35 1HB GLU 35 -19.706 -0.026 3.583 983 HG2 GLU 35 2HG GLU 35 -21.705 0.869 2.412 984 HG3 GLU 35 1HG GLU 35 -21.142 0.123 0.918 985 H LEU 36 H LEU 36 -16.797 0.387 1.479 986 HA LEU 36 HA LEU 36 -15.518 0.720 4.008 987 HB2 LEU 36 2HB LEU 36 -14.835 -0.930 2.173 988 HB3 LEU 36 1HB LEU 36 -13.989 0.426 1.413 989 HG LEU 36 HG LEU 36 -13.561 -0.419 4.326 990 HD11 LEU 36 1HD1 LEU 36 -11.968 -1.161 1.880 991 HD12 LEU 36 2HD1 LEU 36 -12.806 -2.249 2.981 992 HD13 LEU 36 3HD1 LEU 36 -11.400 -1.362 3.525 993 HD21 LEU 36 3HD2 LEU 36 -11.277 0.820 3.556 994 HD22 LEU 36 1HD2 LEU 36 -12.627 1.660 4.283 995 HD23 LEU 36 2HD2 LEU 36 -12.424 1.671 2.542 996 H LEU 37 H LEU 37 -15.120 2.615 0.945 997 HA LEU 37 HA LEU 37 -13.126 4.276 2.022 998 HB2 LEU 37 2HB LEU 37 -15.153 4.840 -0.149 999 HB3 LEU 37 1HB LEU 37 -13.939 6.013 0.338 1000 HG LEU 37 HG LEU 37 -13.356 4.541 -1.677 1001 HD11 LEU 37 1HD1 LEU 37 -11.046 4.513 -1.136 1002 HD12 LEU 37 2HD1 LEU 37 -11.366 4.262 0.579 1003 HD13 LEU 37 3HD1 LEU 37 -11.722 5.820 -0.166 1004 HD21 LEU 37 3HD2 LEU 37 -14.178 2.418 -0.720 1005 HD22 LEU 37 1HD2 LEU 37 -12.903 2.481 0.481 1006 HD23 LEU 37 2HD2 LEU 37 -12.500 2.312 -1.218 1007 H GLN 38 H GLN 38 -16.666 4.585 2.106 1008 HA GLN 38 HA GLN 38 -16.682 7.093 3.423 1009 HB2 GLN 38 2HB GLN 38 -18.731 4.877 3.366 1010 HB3 GLN 38 1HB GLN 38 -19.011 6.463 4.085 1011 HG2 GLN 38 2HG GLN 38 -18.571 7.547 1.935 1012 HG3 GLN 38 1HG GLN 38 -18.211 5.988 1.196 1013 HE21 GLN 38 1HE2 GLN 38 -20.379 7.769 0.346 1014 HE22 GLN 38 2HE2 GLN 38 -21.833 6.934 0.609 1015 H THR 39 H THR 39 -16.638 3.747 4.675 1016 HA THR 39 HA THR 39 -17.000 4.546 7.391 1017 HB THR 39 HB THR 39 -16.323 2.262 7.953 1018 HG1 THR 39 1HG THR 39 -15.553 0.918 6.366 1019 HG21 THR 39 3HG2 THR 39 -18.360 2.927 5.926 1020 HG22 THR 39 1HG2 THR 39 -18.508 1.976 7.404 1021 HG23 THR 39 2HG2 THR 39 -17.884 1.230 5.934 1022 H GLU 40 H GLU 40 -14.067 3.878 5.472 1023 HA GLU 40 HA GLU 40 -12.405 4.472 7.807 1024 HB2 GLU 40 2HB GLU 40 -11.699 3.613 5.003 1025 HB3 GLU 40 1HB GLU 40 -10.526 3.959 6.261 1026 HG2 GLU 40 2HG GLU 40 -12.719 1.888 6.532 1027 HG3 GLU 40 1HG GLU 40 -11.061 1.518 6.065 1028 H LEU 41 H LEU 41 -12.775 5.711 4.470 1029 HA LEU 41 HA LEU 41 -11.325 8.135 5.300 1030 HB2 LEU 41 2HB LEU 41 -12.078 7.282 2.499 1031 HB3 LEU 41 1HB LEU 41 -10.982 8.576 2.949 1032 HG LEU 41 HG LEU 41 -10.558 5.600 3.311 1033 HD11 LEU 41 1HD1 LEU 41 -8.592 7.419 1.993 1034 HD12 LEU 41 2HD1 LEU 41 -10.080 7.080 1.117 1035 HD13 LEU 41 3HD1 LEU 41 -9.024 5.756 1.603 1036 HD21 LEU 41 3HD2 LEU 41 -9.552 6.402 5.263 1037 HD22 LEU 41 1HD2 LEU 41 -9.118 7.946 4.520 1038 HD23 LEU 41 2HD2 LEU 41 -8.223 6.485 4.109 1039 H SER 42 H SER 42 -12.133 10.157 5.144 1040 HA SER 42 HA SER 42 -15.013 10.357 4.471 1041 HB2 SER 42 2HB SER 42 -13.366 11.514 6.654 1042 HB3 SER 42 1HB SER 42 -14.577 12.578 5.942 1043 HG SER 42 HG SER 42 -15.913 10.480 6.196 1044 H GLY 43 H GLY 43 -12.215 12.531 4.766 1045 HA2 GLY 43 2HA GLY 43 -13.073 14.447 2.936 1046 HA3 GLY 43 1HA GLY 43 -11.412 14.208 3.442 1047 H PHE 44 H PHE 44 -11.065 11.542 2.295 1048 HA PHE 44 HA PHE 44 -10.224 12.304 -0.270 1049 HB2 PHE 44 2HB PHE 44 -10.704 9.580 0.931 1050 HB3 PHE 44 1HB PHE 44 -10.008 9.810 -0.671 1051 HD1 PHE 44 1HD PHE 44 -7.805 10.822 -0.967 1052 HD2 PHE 44 2HD PHE 44 -9.442 10.216 2.970 1053 HE1 PHE 44 1HE PHE 44 -5.575 11.234 0.031 1054 HE2 PHE 44 2HE PHE 44 -7.210 10.624 3.955 1055 HZ PHE 44 HZ PHE 44 -5.276 11.132 2.490 1056 H LEU 45 H LEU 45 -13.055 10.249 0.556 1057 HA LEU 45 HA LEU 45 -13.977 10.289 -2.179 1058 HB2 LEU 45 2HB LEU 45 -14.837 8.998 0.330 1059 HB3 LEU 45 1HB LEU 45 -16.170 9.471 -0.718 1060 HG LEU 45 HG LEU 45 -15.253 7.145 -1.145 1061 HD11 LEU 45 1HD1 LEU 45 -15.892 9.296 -3.006 1062 HD12 LEU 45 2HD1 LEU 45 -16.350 7.592 -3.054 1063 HD13 LEU 45 3HD1 LEU 45 -14.819 8.106 -3.756 1064 HD21 LEU 45 3HD2 LEU 45 -12.775 8.372 -1.006 1065 HD22 LEU 45 1HD2 LEU 45 -13.008 8.211 -2.750 1066 HD23 LEU 45 2HD2 LEU 45 -13.080 6.792 -1.716 1067 H ASP 46 H ASP 46 -14.743 12.061 0.729 1068 HA ASP 46 HA ASP 46 -17.057 13.329 -0.166 1069 HB2 ASP 46 2HB ASP 46 -16.219 13.361 2.184 1070 HB3 ASP 46 1HB ASP 46 -14.981 14.513 1.687 1071 H ALA 47 H ALA 47 -13.706 13.965 -0.878 1072 HA ALA 47 HA ALA 47 -13.800 16.612 -1.685 1073 HB1 ALA 47 1HB ALA 47 -11.727 15.299 -1.499 1074 HB2 ALA 47 2HB ALA 47 -11.845 16.102 -3.064 1075 HB3 ALA 47 3HB ALA 47 -12.187 14.377 -2.931 1076 H GLN 48 H GLN 48 -14.996 13.758 -3.407 1077 HA GLN 48 HA GLN 48 -15.410 15.380 -5.824 1078 HB2 GLN 48 2HB GLN 48 -16.180 12.503 -5.310 1079 HB3 GLN 48 1HB GLN 48 -16.108 13.326 -6.870 1080 HG2 GLN 48 2HG GLN 48 -13.775 12.731 -5.032 1081 HG3 GLN 48 1HG GLN 48 -14.100 11.989 -6.599 1082 HE21 GLN 48 1HE2 GLN 48 -12.104 14.209 -5.245 1083 HE22 GLN 48 2HE2 GLN 48 -11.892 15.262 -6.562 1084 H LYS 49 H LYS 49 -17.187 16.562 -5.990 1085 HA LYS 49 HA LYS 49 -19.346 16.461 -4.199 1086 HB2 LYS 49 2HB LYS 49 -19.110 17.755 -6.913 1087 HB3 LYS 49 1HB LYS 49 -20.443 18.033 -5.791 1088 HG2 LYS 49 2HG LYS 49 -18.788 18.767 -4.070 1089 HG3 LYS 49 1HG LYS 49 -17.511 18.600 -5.275 1090 HD2 LYS 49 2HD LYS 49 -18.732 20.224 -6.732 1091 HD3 LYS 49 1HD LYS 49 -19.903 20.455 -5.433 1092 HE2 LYS 49 2HE LYS 49 -16.946 20.834 -4.963 1093 HE3 LYS 49 1HE LYS 49 -17.954 22.144 -5.580 1094 HZ1 LYS 49 3HZ LYS 49 -18.683 22.519 -3.540 1095 HZ2 LYS 49 1HZ LYS 49 -17.669 21.299 -2.941 1096 HZ3 LYS 49 2HZ LYS 49 -19.258 20.925 -3.412 1097 H ASP 50 H ASP 50 -19.005 15.002 -7.410 1098 HA ASP 50 HA ASP 50 -21.763 14.383 -7.684 1099 HB2 ASP 50 2HB ASP 50 -19.342 13.191 -9.029 1100 HB3 ASP 50 1HB ASP 50 -21.014 12.820 -9.458 1101 H VAL 51 H VAL 51 -22.923 12.566 -7.316 1102 HA VAL 51 HA VAL 51 -22.042 10.811 -5.212 1103 HB VAL 51 HB VAL 51 -24.219 9.850 -5.307 1104 HG11 VAL 51 1HG1 VAL 51 -23.868 12.468 -4.826 1105 HG12 VAL 51 2HG1 VAL 51 -25.456 11.704 -4.760 1106 HG13 VAL 51 3HG1 VAL 51 -24.967 12.596 -6.201 1107 HG21 VAL 51 3HG2 VAL 51 -24.378 11.064 -8.083 1108 HG22 VAL 51 1HG2 VAL 51 -25.777 10.415 -7.229 1109 HG23 VAL 51 2HG2 VAL 51 -24.432 9.357 -7.652 1110 H ASP 52 H ASP 52 -22.171 10.781 -8.666 1111 HA ASP 52 HA ASP 52 -21.783 7.937 -8.979 1112 HB2 ASP 52 2HB ASP 52 -21.552 10.253 -10.915 1113 HB3 ASP 52 1HB ASP 52 -21.365 8.562 -11.371 1114 H ALA 53 H ALA 53 -19.904 10.311 -7.798 1115 HA ALA 53 HA ALA 53 -17.447 10.129 -9.105 1116 HB1 ALA 53 1HB ALA 53 -17.970 11.766 -7.334 1117 HB2 ALA 53 2HB ALA 53 -16.475 10.881 -7.009 1118 HB3 ALA 53 3HB ALA 53 -17.955 10.461 -6.145 1119 H VAL 54 H VAL 54 -18.921 8.028 -6.649 1120 HA VAL 54 HA VAL 54 -16.650 6.442 -6.114 1121 HB VAL 54 HB VAL 54 -18.850 6.387 -4.863 1122 HG11 VAL 54 1HG1 VAL 54 -20.151 6.200 -7.083 1123 HG12 VAL 54 2HG1 VAL 54 -20.688 5.161 -5.765 1124 HG13 VAL 54 3HG1 VAL 54 -19.702 4.495 -7.064 1125 HG21 VAL 54 3HG2 VAL 54 -18.795 3.724 -4.856 1126 HG22 VAL 54 1HG2 VAL 54 -17.442 4.651 -4.207 1127 HG23 VAL 54 2HG2 VAL 54 -17.349 3.969 -5.835 1128 H ASP 55 H ASP 55 -19.203 6.195 -8.569 1129 HA ASP 55 HA ASP 55 -18.325 3.776 -9.724 1130 HB2 ASP 55 2HB ASP 55 -20.533 4.892 -10.171 1131 HB3 ASP 55 1HB ASP 55 -19.675 6.085 -11.143 1132 H LYS 56 H LYS 56 -17.543 7.171 -10.343 1133 HA LYS 56 HA LYS 56 -15.850 6.744 -12.561 1134 HB2 LYS 56 2HB LYS 56 -15.823 8.921 -10.461 1135 HB3 LYS 56 1HB LYS 56 -14.897 8.967 -11.961 1136 HG2 LYS 56 2HG LYS 56 -17.029 8.718 -13.239 1137 HG3 LYS 56 1HG LYS 56 -17.915 8.806 -11.717 1138 HD2 LYS 56 2HD LYS 56 -16.880 11.039 -11.292 1139 HD3 LYS 56 1HD LYS 56 -16.122 10.955 -12.883 1140 HE2 LYS 56 2HE LYS 56 -18.236 10.972 -13.995 1141 HE3 LYS 56 1HE LYS 56 -19.108 10.679 -12.491 1142 HZ1 LYS 56 3HZ LYS 56 -18.690 13.104 -13.576 1143 HZ2 LYS 56 1HZ LYS 56 -17.423 13.019 -12.452 1144 HZ3 LYS 56 2HZ LYS 56 -19.030 12.826 -11.935 1145 H VAL 57 H VAL 57 -15.229 6.734 -9.075 1146 HA VAL 57 HA VAL 57 -12.409 6.561 -9.232 1147 HB VAL 57 HB VAL 57 -14.347 5.670 -7.087 1148 HG11 VAL 57 1HG1 VAL 57 -12.366 4.396 -6.726 1149 HG12 VAL 57 2HG1 VAL 57 -12.230 5.785 -5.649 1150 HG13 VAL 57 3HG1 VAL 57 -11.326 5.751 -7.162 1151 HG21 VAL 57 3HG2 VAL 57 -13.900 7.744 -6.044 1152 HG22 VAL 57 1HG2 VAL 57 -14.038 8.168 -7.753 1153 HG23 VAL 57 2HG2 VAL 57 -12.447 8.014 -7.010 1154 H MET 58 H MET 58 -14.907 4.037 -8.931 1155 HA MET 58 HA MET 58 -13.062 1.913 -8.738 1156 HB2 MET 58 2HB MET 58 -14.851 0.475 -8.651 1157 HB3 MET 58 1HB MET 58 -15.541 1.980 -8.067 1158 HG2 MET 58 2HG MET 58 -17.165 1.488 -9.584 1159 HG3 MET 58 1HG MET 58 -16.047 2.240 -10.712 1160 HE1 MET 58 3HE MET 58 -18.162 -1.010 -10.265 1161 HE2 MET 58 1HE MET 58 -17.102 -0.751 -8.872 1162 HE3 MET 58 2HE MET 58 -16.866 -2.150 -9.916 1163 H LYS 59 H LYS 59 -14.464 3.376 -11.667 1164 HA LYS 59 HA LYS 59 -13.860 1.217 -13.379 1165 HB2 LYS 59 2HB LYS 59 -13.840 4.171 -14.053 1166 HB3 LYS 59 1HB LYS 59 -13.833 2.855 -15.228 1167 HG2 LYS 59 2HG LYS 59 -16.013 3.297 -13.197 1168 HG3 LYS 59 1HG LYS 59 -16.084 3.770 -14.890 1169 HD2 LYS 59 2HD LYS 59 -15.318 1.165 -15.161 1170 HD3 LYS 59 1HD LYS 59 -16.245 1.064 -13.663 1171 HE2 LYS 59 2HE LYS 59 -17.215 2.329 -16.217 1172 HE3 LYS 59 1HE LYS 59 -17.660 0.710 -15.672 1173 HZ1 LYS 59 3HZ LYS 59 -18.275 2.065 -13.507 1174 HZ2 LYS 59 1HZ LYS 59 -19.377 1.877 -14.782 1175 HZ3 LYS 59 2HZ LYS 59 -18.485 3.316 -14.636 1176 H GLU 60 H GLU 60 -11.872 3.898 -12.217 1177 HA GLU 60 HA GLU 60 -9.599 3.344 -13.814 1178 HB2 GLU 60 2HB GLU 60 -9.945 5.451 -12.536 1179 HB3 GLU 60 1HB GLU 60 -9.688 4.555 -11.042 1180 HG2 GLU 60 2HG GLU 60 -7.442 3.874 -11.874 1181 HG3 GLU 60 1HG GLU 60 -7.698 4.870 -13.304 1182 H LEU 61 H LEU 61 -10.689 2.192 -10.675 1183 HA LEU 61 HA LEU 61 -8.326 0.768 -10.033 1184 HB2 LEU 61 2HB LEU 61 -11.133 0.268 -9.036 1185 HB3 LEU 61 1HB LEU 61 -9.655 -0.336 -8.300 1186 HG LEU 61 HG LEU 61 -10.501 2.564 -8.533 1187 HD11 LEU 61 1HD1 LEU 61 -9.889 1.109 -5.989 1188 HD12 LEU 61 2HD1 LEU 61 -11.454 0.860 -6.763 1189 HD13 LEU 61 3HD1 LEU 61 -10.968 2.477 -6.264 1190 HD21 LEU 61 3HD2 LEU 61 -8.424 2.778 -6.964 1191 HD22 LEU 61 1HD2 LEU 61 -8.164 2.737 -8.695 1192 HD23 LEU 61 2HD2 LEU 61 -7.897 1.286 -7.712 1193 H ASP 62 H ASP 62 -11.254 -0.179 -11.767 1194 HA ASP 62 HA ASP 62 -10.546 -2.947 -11.683 1195 HB2 ASP 62 2HB ASP 62 -12.857 -2.020 -12.137 1196 HB3 ASP 62 1HB ASP 62 -12.287 -1.641 -13.762 1197 H GLU 63 H GLU 63 -8.230 -2.577 -12.234 1198 HA GLU 63 HA GLU 63 -7.465 -1.879 -14.905 1199 HB2 GLU 63 2HB GLU 63 -5.825 -1.998 -13.048 1200 HB3 GLU 63 1HB GLU 63 -6.097 -3.738 -12.931 1201 HG2 GLU 63 2HG GLU 63 -5.362 -4.009 -15.266 1202 HG3 GLU 63 1HG GLU 63 -5.055 -2.285 -15.371 1203 H ASN 64 H ASN 64 -8.400 -4.640 -13.178 1204 HA ASN 64 HA ASN 64 -8.000 -6.689 -14.986 1205 HB2 ASN 64 2HB ASN 64 -8.422 -6.904 -12.609 1206 HB3 ASN 64 1HB ASN 64 -10.020 -6.220 -12.811 1207 HD21 ASN 64 1HD2 ASN 64 -8.132 -8.960 -14.230 1208 HD22 ASN 64 2HD2 ASN 64 -9.434 -10.047 -14.160 1209 H GLY 65 H GLY 65 -10.729 -4.457 -14.567 1210 HA2 GLY 65 2HA GLY 65 -12.289 -3.760 -16.133 1211 HA3 GLY 65 1HA GLY 65 -11.562 -4.857 -17.297 1212 H ASP 66 H ASP 66 -12.506 -6.256 -14.266 1213 HA ASP 66 HA ASP 66 -14.567 -7.773 -15.673 1214 HB2 ASP 66 2HB ASP 66 -14.567 -9.198 -13.672 1215 HB3 ASP 66 1HB ASP 66 -12.932 -8.966 -14.287 1216 H GLY 67 H GLY 67 -14.649 -4.886 -14.147 1217 HA2 GLY 67 2HA GLY 67 -16.578 -3.636 -13.661 1218 HA3 GLY 67 1HA GLY 67 -17.507 -5.134 -13.613 1219 H GLU 68 H GLU 68 -14.864 -5.802 -11.923 1220 HA GLU 68 HA GLU 68 -15.970 -4.934 -9.321 1221 HB2 GLU 68 2HB GLU 68 -14.589 -7.501 -10.058 1222 HB3 GLU 68 1HB GLU 68 -14.888 -7.006 -8.400 1223 HG2 GLU 68 2HG GLU 68 -16.673 -8.426 -8.854 1224 HG3 GLU 68 1HG GLU 68 -17.368 -6.830 -9.167 1225 H VAL 69 H VAL 69 -14.447 -4.713 -7.615 1226 HA VAL 69 HA VAL 69 -11.777 -3.887 -8.544 1227 HB VAL 69 HB VAL 69 -13.226 -3.172 -5.989 1228 HG11 VAL 69 1HG1 VAL 69 -11.445 -1.476 -5.750 1229 HG12 VAL 69 2HG1 VAL 69 -10.659 -2.129 -7.186 1230 HG13 VAL 69 3HG1 VAL 69 -10.799 -3.116 -5.725 1231 HG21 VAL 69 3HG2 VAL 69 -13.180 -0.868 -7.143 1232 HG22 VAL 69 1HG2 VAL 69 -14.406 -2.041 -7.615 1233 HG23 VAL 69 2HG2 VAL 69 -12.978 -1.801 -8.627 1234 H ASP 70 H ASP 70 -10.076 -5.118 -7.894 1235 HA ASP 70 HA ASP 70 -10.700 -7.343 -6.060 1236 HB2 ASP 70 2HB ASP 70 -9.813 -7.885 -8.318 1237 HB3 ASP 70 1HB ASP 70 -8.316 -7.065 -7.888 1238 H PHE 71 H PHE 71 -9.043 -8.075 -4.585 1239 HA PHE 71 HA PHE 71 -8.351 -6.216 -2.664 1240 HB2 PHE 71 2HB PHE 71 -8.336 -8.792 -2.619 1241 HB3 PHE 71 1HB PHE 71 -6.730 -8.686 -3.315 1242 HD1 PHE 71 1HD PHE 71 -6.541 -5.887 -1.370 1243 HD2 PHE 71 2HD PHE 71 -7.051 -10.119 -0.883 1244 HE1 PHE 71 1HE PHE 71 -5.577 -5.736 0.894 1245 HE2 PHE 71 2HE PHE 71 -6.090 -9.953 1.387 1246 HZ PHE 71 HZ PHE 71 -5.362 -7.769 2.266 1247 H GLN 72 H GLN 72 -6.372 -7.437 -5.384 1248 HA GLN 72 HA GLN 72 -4.033 -5.970 -4.725 1249 HB2 GLN 72 2HB GLN 72 -5.060 -6.947 -7.406 1250 HB3 GLN 72 1HB GLN 72 -3.439 -6.305 -7.128 1251 HG2 GLN 72 2HG GLN 72 -3.014 -8.063 -5.472 1252 HG3 GLN 72 1HG GLN 72 -4.628 -8.701 -5.694 1253 HE21 GLN 72 1HE2 GLN 72 -2.402 -10.347 -6.136 1254 HE22 GLN 72 2HE2 GLN 72 -2.277 -10.676 -7.791 1255 H GLU 73 H GLU 73 -6.894 -5.157 -6.689 1256 HA GLU 73 HA GLU 73 -5.952 -2.683 -7.691 1257 HB2 GLU 73 2HB GLU 73 -8.762 -3.618 -7.104 1258 HB3 GLU 73 1HB GLU 73 -8.361 -2.204 -8.069 1259 HG2 GLU 73 2HG GLU 73 -7.113 -3.699 -9.647 1260 HG3 GLU 73 1HG GLU 73 -7.653 -5.087 -8.708 1261 H TYR 74 H TYR 74 -7.797 -3.592 -4.831 1262 HA TYR 74 HA TYR 74 -8.280 -1.029 -3.740 1263 HB2 TYR 74 2HB TYR 74 -9.460 -3.093 -3.057 1264 HB3 TYR 74 1HB TYR 74 -7.964 -3.705 -2.354 1265 HD1 TYR 74 1HD TYR 74 -10.595 -1.114 -2.069 1266 HD2 TYR 74 2HD TYR 74 -7.119 -2.881 -0.269 1267 HE1 TYR 74 1HE TYR 74 -11.082 0.080 0.050 1268 HE2 TYR 74 2HE TYR 74 -7.604 -1.685 1.846 1269 HH TYR 74 HH TYR 74 -9.997 0.799 2.040 1270 H VAL 75 H VAL 75 -5.749 -3.377 -3.369 1271 HA VAL 75 HA VAL 75 -4.294 -2.154 -1.307 1272 HB VAL 75 HB VAL 75 -4.004 -4.517 -2.890 1273 HG11 VAL 75 1HG1 VAL 75 -1.537 -2.802 -3.044 1274 HG12 VAL 75 2HG1 VAL 75 -2.429 -3.498 -4.382 1275 HG13 VAL 75 3HG1 VAL 75 -1.544 -4.539 -3.272 1276 HG21 VAL 75 3HG2 VAL 75 -2.505 -3.405 -0.519 1277 HG22 VAL 75 1HG2 VAL 75 -2.161 -4.997 -1.195 1278 HG23 VAL 75 2HG2 VAL 75 -3.764 -4.646 -0.545 1279 H VAL 76 H VAL 76 -3.914 -1.879 -4.869 1280 HA VAL 76 HA VAL 76 -1.795 0.018 -4.539 1281 HB VAL 76 HB VAL 76 -2.011 0.531 -6.888 1282 HG11 VAL 76 1HG1 VAL 76 -1.478 -1.607 -7.734 1283 HG12 VAL 76 2HG1 VAL 76 -2.607 -2.418 -6.652 1284 HG13 VAL 76 3HG1 VAL 76 -1.108 -1.740 -6.014 1285 HG21 VAL 76 3HG2 VAL 76 -4.555 0.567 -6.862 1286 HG22 VAL 76 1HG2 VAL 76 -4.484 -1.187 -6.928 1287 HG23 VAL 76 2HG2 VAL 76 -3.829 -0.238 -8.251 1288 H LEU 77 H LEU 77 -5.357 0.307 -4.690 1289 HA LEU 77 HA LEU 77 -5.452 3.100 -5.010 1290 HB2 LEU 77 2HB LEU 77 -7.498 1.817 -5.067 1291 HB3 LEU 77 1HB LEU 77 -7.253 1.260 -3.421 1292 HG LEU 77 HG LEU 77 -7.459 3.683 -2.662 1293 HD11 LEU 77 1HD1 LEU 77 -8.936 4.379 -5.145 1294 HD12 LEU 77 2HD1 LEU 77 -7.183 4.461 -5.243 1295 HD13 LEU 77 3HD1 LEU 77 -8.044 5.405 -4.040 1296 HD21 LEU 77 3HD2 LEU 77 -10.007 3.686 -3.182 1297 HD22 LEU 77 1HD2 LEU 77 -9.326 2.358 -2.243 1298 HD23 LEU 77 2HD2 LEU 77 -9.678 2.135 -3.956 1299 H VAL 78 H VAL 78 -5.330 1.268 -1.909 1300 HA VAL 78 HA VAL 78 -5.190 3.705 -0.423 1301 HB VAL 78 HB VAL 78 -4.522 2.378 1.532 1302 HG11 VAL 78 1HG1 VAL 78 -6.552 0.762 1.382 1303 HG12 VAL 78 2HG1 VAL 78 -6.833 1.537 -0.180 1304 HG13 VAL 78 3HG1 VAL 78 -6.817 2.503 1.300 1305 HG21 VAL 78 3HG2 VAL 78 -3.129 0.683 0.282 1306 HG22 VAL 78 1HG2 VAL 78 -4.629 -0.061 -0.272 1307 HG23 VAL 78 2HG2 VAL 78 -4.251 -0.011 1.443 1308 H ALA 79 H ALA 79 -2.687 1.561 -1.750 1309 HA ALA 79 HA ALA 79 -0.551 2.837 -0.321 1310 HB1 ALA 79 1HB ALA 79 -0.673 0.587 -1.740 1311 HB2 ALA 79 2HB ALA 79 0.836 1.429 -1.444 1312 HB3 ALA 79 3HB ALA 79 -0.004 1.634 -2.985 1313 H ALA 80 H ALA 80 -1.788 3.288 -3.626 1314 HA ALA 80 HA ALA 80 0.029 5.323 -4.355 1315 HB1 ALA 80 1HB ALA 80 -1.744 5.880 -6.080 1316 HB2 ALA 80 2HB ALA 80 -2.734 4.614 -5.355 1317 HB3 ALA 80 3HB ALA 80 -1.178 4.207 -6.087 1318 H LEU 81 H LEU 81 -3.174 5.343 -2.804 1319 HA LEU 81 HA LEU 81 -3.361 8.183 -2.730 1320 HB2 LEU 81 2HB LEU 81 -4.769 5.945 -1.366 1321 HB3 LEU 81 1HB LEU 81 -4.862 7.542 -0.624 1322 HG LEU 81 HG LEU 81 -5.736 8.511 -2.693 1323 HD11 LEU 81 1HD1 LEU 81 -4.474 6.856 -4.213 1324 HD12 LEU 81 2HD1 LEU 81 -6.091 7.338 -4.704 1325 HD13 LEU 81 3HD1 LEU 81 -5.835 5.776 -3.949 1326 HD21 LEU 81 3HD2 LEU 81 -7.904 7.342 -2.830 1327 HD22 LEU 81 1HD2 LEU 81 -7.383 7.504 -1.155 1328 HD23 LEU 81 2HD2 LEU 81 -7.221 5.956 -1.986 1329 H THR 82 H THR 82 -1.796 5.786 -0.628 1330 HA THR 82 HA THR 82 -1.282 7.540 1.540 1331 HB THR 82 HB THR 82 0.433 5.238 0.585 1332 HG1 THR 82 1HG THR 82 -0.876 4.045 2.041 1333 HG21 THR 82 3HG2 THR 82 0.433 6.997 2.953 1334 HG22 THR 82 1HG2 THR 82 1.712 5.960 2.318 1335 HG23 THR 82 2HG2 THR 82 0.444 5.279 3.335 1336 H VAL 83 H VAL 83 0.795 6.687 -1.267 1337 HA VAL 83 HA VAL 83 2.860 8.511 -0.495 1338 HB VAL 83 HB VAL 83 3.316 6.731 -2.143 1339 HG11 VAL 83 1HG1 VAL 83 1.897 8.434 -4.195 1340 HG12 VAL 83 2HG1 VAL 83 1.121 7.073 -3.404 1341 HG13 VAL 83 3HG1 VAL 83 2.534 6.804 -4.378 1342 HG21 VAL 83 3HG2 VAL 83 4.503 9.078 -1.992 1343 HG22 VAL 83 1HG2 VAL 83 3.779 9.324 -3.584 1344 HG23 VAL 83 2HG2 VAL 83 4.891 7.979 -3.316 1345 H ALA 84 H ALA 84 -0.030 8.903 -2.502 1346 HA ALA 84 HA ALA 84 0.563 11.547 -3.367 1347 HB1 ALA 84 1HB ALA 84 -2.226 10.510 -2.932 1348 HB2 ALA 84 2HB ALA 84 -1.222 9.905 -4.251 1349 HB3 ALA 84 3HB ALA 84 -1.635 11.618 -4.172 1350 H CYS 85 H CHC 85 -0.801 10.179 -0.466 1351 HA CYS 85 HA CHC 85 -1.941 12.554 0.588 1352 HB2 CYS 85 2HB CHC 85 -2.273 10.081 1.337 1353 HB3 CYS 85 1HB CHC 85 -0.826 10.351 2.306 1354 H ASN 86 H ASN 86 1.149 10.858 1.286 1355 HA ASN 86 HA ASN 86 2.160 12.855 2.996 1356 HB2 ASN 86 2HB ASN 86 3.195 10.577 2.519 1357 HB3 ASN 86 1HB ASN 86 3.848 11.286 1.043 1358 HD21 ASN 86 1HD2 ASN 86 5.887 12.214 1.286 1359 HD22 ASN 86 2HD2 ASN 86 6.528 12.781 2.752 1360 H ASN 87 H ASN 87 2.251 12.507 -0.540 1361 HA ASN 87 HA ASN 87 3.854 14.780 -1.122 1362 HB2 ASN 87 2HB ASN 87 1.586 13.536 -2.699 1363 HB3 ASN 87 1HB ASN 87 2.757 14.683 -3.338 1364 HD21 ASN 87 1HD2 ASN 87 5.138 13.699 -2.136 1365 HD22 ASN 87 2HD2 ASN 87 5.451 12.143 -2.739 1366 H PHE 88 H PHE 88 0.325 14.477 -0.625 1367 HA PHE 88 HA PHE 88 -0.106 17.195 -1.302 1368 HB2 PHE 88 2HB PHE 88 -1.941 15.510 -1.185 1369 HB3 PHE 88 1HB PHE 88 -1.766 15.461 0.570 1370 HD1 PHE 88 1HD PHE 88 -2.709 17.589 -2.313 1371 HD2 PHE 88 2HD PHE 88 -2.577 17.248 1.967 1372 HE1 PHE 88 1HE PHE 88 -4.174 19.580 -2.108 1373 HE2 PHE 88 2HE PHE 88 -4.041 19.240 2.172 1374 HZ PHE 88 HZ PHE 88 -4.840 20.405 0.133 1375 H PHE 89 H PHE 89 0.599 15.605 1.821 1376 HA PHE 89 HA PHE 89 0.201 17.915 3.396 1377 HB2 PHE 89 2HB PHE 89 0.343 15.613 4.299 1378 HB3 PHE 89 1HB PHE 89 2.071 15.606 3.945 1379 HD1 PHE 89 1HD PHE 89 -0.586 17.192 5.983 1380 HD2 PHE 89 2HD PHE 89 3.639 16.831 5.301 1381 HE1 PHE 89 1HE PHE 89 -0.142 18.354 8.128 1382 HE2 PHE 89 2HE PHE 89 4.084 17.995 7.446 1383 HZ PHE 89 HZ PHE 89 2.194 18.756 8.859 1384 H TRP 90 H TRP 90 3.369 16.485 2.375 1385 HA TRP 90 HA TRP 90 4.808 18.818 3.205 1386 HB2 TRP 90 2HB TRP 90 5.925 16.632 2.990 1387 HB3 TRP 90 1HB TRP 90 5.718 16.725 1.233 1388 HD1 TRP 90 HD TRP 90 6.807 18.882 0.020 1389 HE1 TRP 90 1HE TRP 90 8.942 20.190 0.549 1390 HE3 TRP 90 3HE TRP 90 7.553 17.374 4.829 1391 HZ2 TRP 90 2HZ TRP 90 10.762 20.546 2.744 1392 HZ3 TRP 90 3HZ TRP 90 9.496 18.212 6.121 1393 HH2 TRP 90 HH TRP 90 11.099 19.795 5.085 1394 H GLU 91 H GLU 91 3.638 17.682 0.117 1395 HA GLU 91 HA GLU 91 4.525 20.135 -1.212 1396 HB2 GLU 91 2HB GLU 91 3.618 17.439 -2.170 1397 HB3 GLU 91 1HB GLU 91 3.630 18.768 -3.259 1398 HG2 GLU 91 2HG GLU 91 5.970 17.681 -1.669 1399 HG3 GLU 91 1HG GLU 91 5.712 17.460 -3.393 1400 H ASN 92 H ASN 92 3.134 21.498 -2.314 1401 HA ASN 92 HA ASN 92 0.238 21.031 -2.041 1402 HB2 ASN 92 2HB ASN 92 -0.167 23.205 -1.146 1403 HB3 ASN 92 1HB ASN 92 1.101 22.488 -0.153 1404 HD21 ASN 92 1HD2 ASN 92 0.858 25.302 -0.250 1405 HD22 ASN 92 2HD2 ASN 92 2.180 25.945 -1.100 1406 H SER 93 H SER 93 -0.858 23.095 -3.191 1407 HA SER 93 HA SER 93 -0.162 22.866 -5.940 1408 HB2 SER 93 2HB SER 93 -2.052 24.674 -4.439 1409 HB3 SER 93 1HB SER 93 -1.844 24.771 -6.184 1410 HG SER 93 HG SER 93 -2.998 22.787 -4.607 1411 H1 HCS 201 1HT CHC 85 3.042 -13.919 7.991 1412 H2 HCS 201 2HT CHC 85 4.318 -12.916 8.493 1413 H HCS 201 3HT CHC 85 3.770 -12.858 6.887 1414 HCA HCS 201 HH CHC 85 2.496 -11.160 7.488 1415 HB2 HCS 201 1HZ CHC 85 0.388 -11.764 8.579 1416 HB3 HCS 201 2HZ CHC 85 1.099 -13.268 9.165 1417 HG2 HCS 201 1HE CHC 85 0.006 -13.997 7.237 1418 HG3 HCS 201 2HE CHC 85 1.622 -13.667 6.612 1419 H1 HCS 201 1HT CHC 85 -4.691 14.727 5.283 1420 H2 HCS 201 2HT CHC 85 -6.066 13.772 5.575 1421 H HCS 201 3HT CHC 85 -5.143 13.530 4.169 1422 HCA HCS 201 HH CHC 85 -4.080 11.935 5.262 1423 HB2 HCS 201 1HZ CHC 85 -2.292 12.697 6.754 1424 HB3 HCS 201 2HZ CHC 85 -3.103 14.249 6.964 1425 HG2 HCS 201 1HE CHC 85 -1.562 14.760 5.288 1426 HG3 HCS 201 2HE CHC 85 -2.980 14.333 4.332 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -13.917 4.553 11.591 2 HA2 GLY 1 2HA GLY 1 -12.273 2.114 11.286 3 HA3 GLY 1 1HA GLY 1 -13.146 2.909 9.985 4 H SER 2 H SER 2 -11.286 4.624 12.387 5 HA SER 2 HA SER 2 -9.787 6.064 10.454 6 HB2 SER 2 2HB SER 2 -8.651 7.051 12.334 7 HB3 SER 2 1HB SER 2 -10.348 6.866 12.769 8 HG SER 2 HG SER 2 -8.991 4.625 13.356 9 H GLU 3 H GLU 3 -9.452 2.932 11.675 10 HA GLU 3 HA GLU 3 -6.694 2.628 11.963 11 HB2 GLU 3 2HB GLU 3 -8.783 0.657 11.045 12 HB3 GLU 3 1HB GLU 3 -7.129 0.217 11.469 13 HG2 GLU 3 2HG GLU 3 -7.462 1.202 13.715 14 HG3 GLU 3 1HG GLU 3 -9.133 1.572 13.292 15 H LEU 4 H LEU 4 -8.631 2.406 8.929 16 HA LEU 4 HA LEU 4 -6.471 1.376 7.382 17 HB2 LEU 4 2HB LEU 4 -8.977 1.655 6.765 18 HB3 LEU 4 1HB LEU 4 -8.529 3.301 6.325 19 HG LEU 4 HG LEU 4 -7.077 0.868 5.251 20 HD11 LEU 4 1HD1 LEU 4 -8.446 0.798 3.341 21 HD12 LEU 4 2HD1 LEU 4 -9.208 2.342 3.709 22 HD13 LEU 4 3HD1 LEU 4 -9.583 0.921 4.682 23 HD21 LEU 4 3HD2 LEU 4 -5.693 2.433 4.459 24 HD22 LEU 4 1HD2 LEU 4 -6.782 3.757 4.856 25 HD23 LEU 4 2HD2 LEU 4 -6.971 2.885 3.340 26 H GLU 5 H GLU 5 -7.594 4.632 8.154 27 HA GLU 5 HA GLU 5 -5.718 6.079 6.608 28 HB2 GLU 5 2HB GLU 5 -7.917 6.823 7.873 29 HB3 GLU 5 1HB GLU 5 -6.800 7.144 9.196 30 HG2 GLU 5 2HG GLU 5 -6.411 8.229 6.394 31 HG3 GLU 5 1HG GLU 5 -7.236 9.114 7.671 32 H THR 6 H THR 6 -5.727 4.877 9.931 33 HA THR 6 HA THR 6 -3.336 6.086 10.794 34 HB THR 6 HB THR 6 -4.440 3.390 11.626 35 HG1 THR 6 1HG THR 6 -4.916 5.527 13.233 36 HG21 THR 6 3HG2 THR 6 -2.600 5.386 12.973 37 HG22 THR 6 1HG2 THR 6 -2.174 3.766 12.420 38 HG23 THR 6 2HG2 THR 6 -3.291 3.971 13.770 39 H ALA 7 H ALA 7 -4.015 3.069 9.095 40 HA ALA 7 HA ALA 7 -1.377 2.048 9.129 41 HB1 ALA 7 1HB ALA 7 -3.373 1.598 6.919 42 HB2 ALA 7 2HB ALA 7 -3.546 0.842 8.502 43 HB3 ALA 7 3HB ALA 7 -2.130 0.496 7.507 44 H MET 8 H MET 8 -3.152 4.070 6.772 45 HA MET 8 HA MET 8 -1.097 4.225 4.828 46 HB2 MET 8 2HB MET 8 -3.213 6.236 5.662 47 HB3 MET 8 1HB MET 8 -2.212 6.403 4.223 48 HG2 MET 8 2HG MET 8 -3.078 4.249 3.371 49 HG3 MET 8 1HG MET 8 -4.095 4.088 4.792 50 HE1 MET 8 3HE MET 8 -3.292 7.299 2.420 51 HE2 MET 8 1HE MET 8 -4.555 6.925 1.242 52 HE3 MET 8 2HE MET 8 -3.282 5.757 1.568 53 H GLU 9 H GLU 9 -1.752 6.111 7.744 54 HA GLU 9 HA GLU 9 0.373 7.963 7.428 55 HB2 GLU 9 2HB GLU 9 -1.098 7.032 9.902 56 HB3 GLU 9 1HB GLU 9 0.073 8.350 9.883 57 HG2 GLU 9 2HG GLU 9 -1.296 9.521 8.178 58 HG3 GLU 9 1HG GLU 9 -2.485 8.226 8.262 59 H THR 10 H THR 10 0.160 4.720 8.857 60 HA THR 10 HA THR 10 2.664 4.806 10.165 61 HB THR 10 HB THR 10 1.253 2.404 8.997 62 HG1 THR 10 1HG THR 10 0.283 3.986 10.694 63 HG21 THR 10 3HG2 THR 10 2.486 1.228 10.838 64 HG22 THR 10 1HG2 THR 10 3.346 2.734 11.163 65 HG23 THR 10 2HG2 THR 10 3.554 1.918 9.612 66 H LEU 11 H LEU 11 1.661 3.782 6.898 67 HA LEU 11 HA LEU 11 4.225 2.887 6.084 68 HB2 LEU 11 2HB LEU 11 2.120 4.176 4.334 69 HB3 LEU 11 1HB LEU 11 3.412 3.110 3.803 70 HG LEU 11 HG LEU 11 1.034 2.381 5.523 71 HD11 LEU 11 1HD1 LEU 11 1.921 1.674 2.730 72 HD12 LEU 11 2HD1 LEU 11 0.417 2.449 3.231 73 HD13 LEU 11 3HD1 LEU 11 0.698 0.748 3.600 74 HD21 LEU 11 3HD2 LEU 11 2.704 1.039 6.454 75 HD22 LEU 11 1HD2 LEU 11 3.565 0.873 4.914 76 HD23 LEU 11 2HD2 LEU 11 2.051 0.014 5.175 77 H ILE 12 H ILE 12 2.597 6.030 5.920 78 HA ILE 12 HA ILE 12 4.688 7.368 4.543 79 HB ILE 12 HB ILE 12 2.635 8.465 6.470 80 HG12 ILE 12 2HG1 ILE 12 2.710 8.557 3.444 81 HG13 ILE 12 1HG1 ILE 12 1.841 7.319 4.333 82 HG21 ILE 12 1HG2 ILE 12 3.169 10.614 5.175 83 HG22 ILE 12 2HG2 ILE 12 4.632 9.792 4.631 84 HG23 ILE 12 3HG2 ILE 12 4.373 10.084 6.351 85 HD11 ILE 12 3HD1 ILE 12 0.584 9.497 3.567 86 HD12 ILE 12 1HD1 ILE 12 1.373 10.217 4.972 87 HD13 ILE 12 2HD1 ILE 12 0.282 8.848 5.180 88 H ASN 13 H ASN 13 4.046 7.041 8.021 89 HA ASN 13 HA ASN 13 6.168 8.646 8.905 90 HB2 ASN 13 2HB ASN 13 4.793 6.313 10.236 91 HB3 ASN 13 1HB ASN 13 5.902 7.414 11.053 92 HD21 ASN 13 1HD2 ASN 13 3.164 7.203 11.863 93 HD22 ASN 13 2HD2 ASN 13 2.385 8.665 11.494 94 H VAL 14 H VAL 14 6.107 5.126 8.243 95 HA VAL 14 HA VAL 14 8.801 4.836 9.208 96 HB VAL 14 HB VAL 14 8.765 2.556 8.417 97 HG11 VAL 14 1HG1 VAL 14 6.389 1.934 9.440 98 HG12 VAL 14 2HG1 VAL 14 6.394 3.641 9.880 99 HG13 VAL 14 3HG1 VAL 14 7.680 2.582 10.448 100 HG21 VAL 14 3HG2 VAL 14 6.593 1.724 7.307 101 HG22 VAL 14 1HG2 VAL 14 7.734 2.592 6.283 102 HG23 VAL 14 2HG2 VAL 14 6.297 3.401 6.891 103 H PHE 15 H PHE 15 7.379 5.217 5.955 104 HA PHE 15 HA PHE 15 9.794 4.840 4.532 105 HB2 PHE 15 2HB PHE 15 7.620 4.924 3.398 106 HB3 PHE 15 1HB PHE 15 7.454 6.628 3.835 107 HD1 PHE 15 1HD PHE 15 9.757 4.252 2.083 108 HD2 PHE 15 2HD PHE 15 8.367 8.294 2.474 109 HE1 PHE 15 1HE PHE 15 11.123 4.921 0.132 110 HE2 PHE 15 2HE PHE 15 9.727 8.954 0.511 111 HZ PHE 15 HZ PHE 15 11.109 7.265 -0.662 112 H HIS 16 H HIS 16 8.250 7.712 5.869 113 HA HIS 16 HA HIS 16 10.323 9.489 5.131 114 HB2 HIS 16 2HB HIS 16 8.049 10.273 5.730 115 HB3 HIS 16 1HB HIS 16 8.324 9.743 7.389 116 HD1 HIS 16 1HD HIS 16 9.847 11.183 8.869 117 HD2 HIS 16 2HD HIS 16 9.593 12.575 4.949 118 HE1 HIS 16 1HE HIS 16 10.916 13.479 8.854 119 HE2 HIS 16 2HE HIS 16 10.769 14.341 6.471 120 H ALA 17 H ALA 17 9.795 7.422 7.901 121 HA ALA 17 HA ALA 17 11.692 8.562 9.596 122 HB1 ALA 17 1HB ALA 17 10.135 6.630 10.143 123 HB2 ALA 17 2HB ALA 17 11.793 6.423 10.695 124 HB3 ALA 17 3HB ALA 17 11.237 5.573 9.242 125 H HIS 18 H HIS 18 12.095 5.914 7.215 126 HA HIS 18 HA HIS 18 14.976 6.045 7.658 127 HB2 HIS 18 2HB HIS 18 13.189 4.321 6.015 128 HB3 HIS 18 1HB HIS 18 14.912 4.368 5.639 129 HD1 HIS 18 1HD HIS 18 16.384 2.945 7.076 130 HD2 HIS 18 2HD HIS 18 12.750 3.754 8.949 131 HE1 HIS 18 1HE HIS 18 16.429 1.729 9.294 132 HE2 HIS 18 2HE HIS 18 14.220 2.200 10.443 133 H SER 19 H SER 19 12.886 6.854 4.861 134 HA SER 19 HA SER 19 14.967 7.627 3.164 135 HB2 SER 19 2HB SER 19 12.661 7.413 2.386 136 HB3 SER 19 1HB SER 19 12.195 8.814 3.349 137 HG SER 19 HG SER 19 12.681 9.395 1.194 138 H GLY 20 H GLY 20 13.144 9.492 5.571 139 HA2 GLY 20 2HA GLY 20 14.548 11.926 5.035 140 HA3 GLY 20 1HA GLY 20 13.460 11.642 6.375 141 H LYS 21 H LYS 21 14.723 9.437 7.594 142 HA LYS 21 HA LYS 21 16.618 10.718 9.220 143 HB2 LYS 21 2HB LYS 21 15.375 8.789 9.947 144 HB3 LYS 21 1HB LYS 21 16.190 7.767 8.758 145 HG2 LYS 21 2HG LYS 21 18.332 8.192 9.895 146 HG3 LYS 21 1HG LYS 21 17.507 9.237 11.057 147 HD2 LYS 21 2HD LYS 21 17.734 7.023 12.033 148 HD3 LYS 21 1HD LYS 21 16.037 7.303 11.674 149 HE2 LYS 21 2HE LYS 21 17.631 6.052 9.498 150 HE3 LYS 21 1HE LYS 21 17.370 5.059 10.931 151 HZ1 LYS 21 3HZ LYS 21 15.600 4.802 9.284 152 HZ2 LYS 21 1HZ LYS 21 15.231 6.453 9.416 153 HZ3 LYS 21 2HZ LYS 21 15.011 5.426 10.751 154 H GLU 22 H GLU 22 17.240 8.538 6.430 155 HA GLU 22 HA GLU 22 20.097 9.323 6.699 156 HB2 GLU 22 2HB GLU 22 19.650 6.971 7.344 157 HB3 GLU 22 1HB GLU 22 19.057 6.669 5.710 158 HG2 GLU 22 2HG GLU 22 21.256 7.393 4.804 159 HG3 GLU 22 1HG GLU 22 21.843 7.608 6.453 160 H GLY 23 H GLY 23 21.246 9.862 4.967 161 HA2 GLY 23 2HA GLY 23 21.759 10.575 2.856 162 HA3 GLY 23 1HA GLY 23 20.681 9.315 2.280 163 H ASP 24 H ASP 24 19.734 10.405 0.654 164 HA ASP 24 HA ASP 24 18.734 13.071 0.848 165 HB2 ASP 24 2HB ASP 24 18.169 10.846 -1.125 166 HB3 ASP 24 1HB ASP 24 17.587 12.500 -1.302 167 H LYS 25 H LYS 25 16.611 13.774 1.111 168 HA LYS 25 HA LYS 25 14.939 11.964 2.666 169 HB2 LYS 25 2HB LYS 25 14.449 14.856 1.883 170 HB3 LYS 25 1HB LYS 25 13.577 13.928 3.113 171 HG2 LYS 25 2HG LYS 25 15.805 13.601 4.322 172 HG3 LYS 25 1HG LYS 25 16.516 14.754 3.198 173 HD2 LYS 25 2HD LYS 25 14.134 15.329 4.989 174 HD3 LYS 25 1HD LYS 25 15.790 15.834 5.318 175 HE2 LYS 25 2HE LYS 25 13.953 16.754 3.109 176 HE3 LYS 25 1HE LYS 25 14.819 17.728 4.294 177 HZ1 LYS 25 3HZ LYS 25 16.891 16.683 3.186 178 HZ2 LYS 25 1HZ LYS 25 16.107 17.982 2.428 179 HZ3 LYS 25 2HZ LYS 25 15.842 16.396 1.880 180 H TYR 26 H TYR 26 12.807 11.399 2.093 181 HA TYR 26 HA TYR 26 11.130 10.732 0.698 182 HB2 TYR 26 2HB TYR 26 11.929 13.196 -0.859 183 HB3 TYR 26 1HB TYR 26 10.417 12.301 -1.044 184 HD1 TYR 26 2HD TYR 26 8.861 12.075 0.928 185 HD2 TYR 26 1HD TYR 26 12.230 14.738 0.941 186 HE1 TYR 26 2HE TYR 26 7.901 13.278 2.871 187 HE2 TYR 26 1HE TYR 26 11.273 15.939 2.889 188 HH TYR 26 HH TYR 26 9.478 15.066 4.875 189 H LYS 27 H LYS 27 14.127 10.160 0.094 190 HA LYS 27 HA LYS 27 13.510 8.625 -2.326 191 HB2 LYS 27 2HB LYS 27 14.843 10.690 -3.057 192 HB3 LYS 27 1HB LYS 27 16.168 10.062 -2.096 193 HG2 LYS 27 2HG LYS 27 16.563 9.295 -4.312 194 HG3 LYS 27 1HG LYS 27 15.914 7.907 -3.442 195 HD2 LYS 27 2HD LYS 27 13.769 8.128 -4.447 196 HD3 LYS 27 1HD LYS 27 14.074 9.753 -5.007 197 HE2 LYS 27 2HE LYS 27 16.012 8.551 -6.359 198 HE3 LYS 27 1HE LYS 27 14.975 7.141 -6.128 199 HZ1 LYS 27 3HZ LYS 27 13.918 7.910 -7.917 200 HZ2 LYS 27 1HZ LYS 27 14.585 9.463 -7.783 201 HZ3 LYS 27 2HZ LYS 27 13.222 9.043 -6.860 202 H LEU 28 H LEU 28 14.180 6.531 -2.024 203 HA LEU 28 HA LEU 28 15.733 6.029 0.439 204 HB2 LEU 28 2HB LEU 28 13.298 5.223 -0.044 205 HB3 LEU 28 1HB LEU 28 14.060 4.047 -1.068 206 HG LEU 28 HG LEU 28 15.288 3.076 0.797 207 HD11 LEU 28 1HD1 LEU 28 15.772 4.697 2.427 208 HD12 LEU 28 2HD1 LEU 28 14.394 3.900 3.166 209 HD13 LEU 28 3HD1 LEU 28 14.167 5.429 2.329 210 HD21 LEU 28 3HD2 LEU 28 13.332 2.196 2.062 211 HD22 LEU 28 1HD2 LEU 28 12.970 2.290 0.336 212 HD23 LEU 28 2HD2 LEU 28 12.343 3.505 1.447 213 H SER 29 H SER 29 17.697 5.053 0.310 214 HA SER 29 HA SER 29 18.570 4.119 -2.349 215 HB2 SER 29 2HB SER 29 20.183 4.924 0.065 216 HB3 SER 29 1HB SER 29 20.866 4.344 -1.443 217 HG SER 29 HG SER 29 20.199 6.799 -0.831 218 H LYS 30 H LYS 30 19.990 2.183 -2.399 219 HA LYS 30 HA LYS 30 18.750 -0.066 -1.413 220 HB2 LYS 30 2HB LYS 30 20.511 -0.031 -3.166 221 HB3 LYS 30 1HB LYS 30 21.706 0.209 -1.890 222 HG2 LYS 30 2HG LYS 30 20.899 -1.918 -0.814 223 HG3 LYS 30 1HG LYS 30 19.851 -2.164 -2.209 224 HD2 LYS 30 2HD LYS 30 21.864 -3.399 -2.611 225 HD3 LYS 30 1HD LYS 30 21.900 -1.990 -3.669 226 HE2 LYS 30 2HE LYS 30 23.090 -1.488 -0.996 227 HE3 LYS 30 1HE LYS 30 23.947 -2.703 -1.955 228 HZ1 LYS 30 3HZ LYS 30 23.333 0.093 -2.702 229 HZ2 LYS 30 1HZ LYS 30 23.829 -1.062 -3.839 230 HZ3 LYS 30 2HZ LYS 30 24.857 -0.643 -2.552 231 H LYS 31 H LYS 31 21.584 1.569 -0.095 232 HA LYS 31 HA LYS 31 22.069 -0.194 2.005 233 HB2 LYS 31 2HB LYS 31 23.383 1.628 2.944 234 HB3 LYS 31 1HB LYS 31 23.590 1.605 1.192 235 HG2 LYS 31 2HG LYS 31 21.751 3.334 1.031 236 HG3 LYS 31 1HG LYS 31 21.795 3.429 2.793 237 HD2 LYS 31 2HD LYS 31 24.165 3.938 2.683 238 HD3 LYS 31 1HD LYS 31 24.077 4.038 0.932 239 HE2 LYS 31 2HE LYS 31 23.741 6.267 1.470 240 HE3 LYS 31 1HE LYS 31 22.072 5.704 1.520 241 HZ1 LYS 31 3HZ LYS 31 23.700 5.495 3.947 242 HZ2 LYS 31 1HZ LYS 31 22.029 5.735 3.786 243 HZ3 LYS 31 2HZ LYS 31 23.102 7.022 3.504 244 H GLU 32 H GLU 32 20.188 2.817 1.891 245 HA GLU 32 HA GLU 32 19.355 2.849 4.584 246 HB2 GLU 32 2HB GLU 32 17.901 3.871 2.139 247 HB3 GLU 32 1HB GLU 32 17.545 4.325 3.803 248 HG2 GLU 32 2HG GLU 32 19.854 5.207 4.030 249 HG3 GLU 32 1HG GLU 32 20.140 4.824 2.338 250 H LEU 33 H LEU 33 17.583 1.545 1.691 251 HA LEU 33 HA LEU 33 15.374 0.761 3.260 252 HB2 LEU 33 2HB LEU 33 14.773 -0.836 1.426 253 HB3 LEU 33 1HB LEU 33 14.913 0.840 0.980 254 HG LEU 33 HG LEU 33 17.444 0.043 0.440 255 HD11 LEU 33 1HD1 LEU 33 17.436 -2.135 -0.615 256 HD12 LEU 33 2HD1 LEU 33 15.695 -2.290 -0.427 257 HD13 LEU 33 3HD1 LEU 33 16.749 -2.360 0.990 258 HD21 LEU 33 3HD2 LEU 33 14.910 0.212 -1.187 259 HD22 LEU 33 1HD2 LEU 33 16.395 -0.298 -1.981 260 HD23 LEU 33 2HD2 LEU 33 16.302 1.289 -1.203 261 H LYS 34 H LYS 34 18.431 -0.830 2.558 262 HA LYS 34 HA LYS 34 17.694 -3.363 3.495 263 HB2 LYS 34 2HB LYS 34 19.944 -2.832 2.561 264 HB3 LYS 34 1HB LYS 34 20.306 -1.907 4.016 265 HG2 LYS 34 2HG LYS 34 21.290 -4.030 4.397 266 HG3 LYS 34 1HG LYS 34 19.791 -4.073 5.319 267 HD2 LYS 34 2HD LYS 34 18.687 -5.320 3.524 268 HD3 LYS 34 1HD LYS 34 20.127 -5.185 2.526 269 HE2 LYS 34 2HE LYS 34 19.522 -7.117 4.608 270 HE3 LYS 34 1HE LYS 34 20.824 -7.140 3.422 271 HZ1 LYS 34 3HZ LYS 34 22.247 -6.057 4.826 272 HZ2 LYS 34 1HZ LYS 34 21.349 -6.959 5.946 273 HZ3 LYS 34 2HZ LYS 34 21.005 -5.312 5.715 274 H GLU 35 H GLU 35 18.440 -0.335 5.199 275 HA GLU 35 HA GLU 35 18.342 -1.562 7.804 276 HB2 GLU 35 2HB GLU 35 18.249 1.327 6.928 277 HB3 GLU 35 1HB GLU 35 18.349 0.791 8.605 278 HG2 GLU 35 2HG GLU 35 20.436 -0.437 8.073 279 HG3 GLU 35 1HG GLU 35 20.355 0.172 6.422 280 H LEU 36 H LEU 36 16.006 0.334 5.842 281 HA LEU 36 HA LEU 36 14.064 0.604 7.891 282 HB2 LEU 36 2HB LEU 36 14.205 1.807 5.617 283 HB3 LEU 36 1HB LEU 36 13.414 0.390 4.947 284 HG LEU 36 HG LEU 36 12.279 2.296 7.059 285 HD11 LEU 36 1HD1 LEU 36 12.317 2.754 4.473 286 HD12 LEU 36 2HD1 LEU 36 10.840 3.024 5.396 287 HD13 LEU 36 3HD1 LEU 36 11.024 1.563 4.433 288 HD21 LEU 36 3HD2 LEU 36 11.377 0.236 7.741 289 HD22 LEU 36 1HD2 LEU 36 11.317 -0.408 6.102 290 HD23 LEU 36 2HD2 LEU 36 10.172 0.826 6.608 291 H LEU 37 H LEU 37 14.361 -1.926 5.322 292 HA LEU 37 HA LEU 37 11.996 -3.272 6.135 293 HB2 LEU 37 2HB LEU 37 14.408 -4.251 4.607 294 HB3 LEU 37 1HB LEU 37 13.041 -5.291 4.981 295 HG LEU 37 HG LEU 37 13.064 -4.076 2.687 296 HD11 LEU 37 1HD1 LEU 37 10.669 -3.973 2.652 297 HD12 LEU 37 2HD1 LEU 37 10.592 -3.657 4.384 298 HD13 LEU 37 3HD1 LEU 37 11.091 -5.243 3.800 299 HD21 LEU 37 3HD2 LEU 37 12.238 -1.820 2.655 300 HD22 LEU 37 1HD2 LEU 37 13.637 -1.856 3.715 301 HD23 LEU 37 2HD2 LEU 37 12.021 -1.816 4.400 302 H GLN 38 H GLN 38 15.407 -3.742 7.053 303 HA GLN 38 HA GLN 38 14.933 -6.014 8.662 304 HB2 GLN 38 2HB GLN 38 17.115 -3.929 8.802 305 HB3 GLN 38 1HB GLN 38 17.106 -5.418 9.749 306 HG2 GLN 38 2HG GLN 38 17.049 -6.756 7.698 307 HG3 GLN 38 1HG GLN 38 16.987 -5.295 6.717 308 HE21 GLN 38 1HE2 GLN 38 19.117 -7.160 6.399 309 HE22 GLN 38 2HE2 GLN 38 20.553 -6.443 6.952 310 H THR 39 H THR 39 14.834 -2.547 9.395 311 HA THR 39 HA THR 39 14.450 -2.956 12.205 312 HB THR 39 HB THR 39 13.899 -0.570 12.273 313 HG1 THR 39 1HG THR 39 14.250 -0.551 9.478 314 HG21 THR 39 3HG2 THR 39 16.292 -1.605 10.821 315 HG22 THR 39 1HG2 THR 39 16.189 -0.753 12.359 316 HG23 THR 39 2HG2 THR 39 16.042 0.138 10.848 317 H GLU 40 H GLU 40 12.265 -2.654 9.447 318 HA GLU 40 HA GLU 40 9.973 -2.683 11.281 319 HB2 GLU 40 2HB GLU 40 10.190 -2.116 8.333 320 HB3 GLU 40 1HB GLU 40 8.662 -2.271 9.187 321 HG2 GLU 40 2HG GLU 40 10.830 -0.279 9.877 322 HG3 GLU 40 1HG GLU 40 9.349 0.095 8.999 323 H LEU 41 H LEU 41 10.831 -4.368 8.225 324 HA LEU 41 HA LEU 41 9.083 -6.575 9.093 325 HB2 LEU 41 2HB LEU 41 10.339 -6.107 6.384 326 HB3 LEU 41 1HB LEU 41 9.133 -7.322 6.782 327 HG LEU 41 HG LEU 41 8.746 -4.312 6.848 328 HD11 LEU 41 1HD1 LEU 41 7.452 -4.594 4.908 329 HD12 LEU 41 2HD1 LEU 41 7.231 -6.321 5.196 330 HD13 LEU 41 3HD1 LEU 41 8.790 -5.713 4.644 331 HD21 LEU 41 3HD2 LEU 41 7.023 -6.606 7.796 332 HD22 LEU 41 1HD2 LEU 41 6.266 -5.159 7.135 333 HD23 LEU 41 2HD2 LEU 41 7.294 -5.032 8.557 334 H SER 42 H SER 42 9.748 -8.644 9.346 335 HA SER 42 HA SER 42 12.687 -9.056 9.291 336 HB2 SER 42 2HB SER 42 10.566 -9.849 11.206 337 HB3 SER 42 1HB SER 42 11.835 -11.034 10.911 338 HG SER 42 HG SER 42 13.015 -9.851 12.169 339 H GLY 43 H GLY 43 9.740 -11.058 9.197 340 HA2 GLY 43 2HA GLY 43 10.874 -13.265 7.943 341 HA3 GLY 43 1HA GLY 43 9.163 -12.882 7.947 342 H PHE 44 H PHE 44 9.319 -10.435 6.378 343 HA PHE 44 HA PHE 44 9.154 -11.579 3.817 344 HB2 PHE 44 2HB PHE 44 9.427 -8.705 4.688 345 HB3 PHE 44 1HB PHE 44 9.159 -9.184 3.012 346 HD1 PHE 44 1HD PHE 44 7.068 -10.266 2.321 347 HD2 PHE 44 2HD PHE 44 7.672 -8.982 6.375 348 HE1 PHE 44 1HE PHE 44 4.641 -10.509 2.763 349 HE2 PHE 44 2HE PHE 44 5.246 -9.219 6.813 350 HZ PHE 44 HZ PHE 44 3.729 -9.982 5.007 351 H LEU 45 H LEU 45 11.753 -9.469 5.117 352 HA LEU 45 HA LEU 45 13.382 -9.904 2.774 353 HB2 LEU 45 2HB LEU 45 13.607 -8.320 5.259 354 HB3 LEU 45 1HB LEU 45 15.139 -8.969 4.693 355 HG LEU 45 HG LEU 45 14.521 -6.672 3.795 356 HD11 LEU 45 1HD1 LEU 45 14.904 -7.775 1.287 357 HD12 LEU 45 2HD1 LEU 45 15.462 -9.072 2.350 358 HD13 LEU 45 3HD1 LEU 45 16.178 -7.463 2.465 359 HD21 LEU 45 3HD2 LEU 45 12.831 -7.850 1.676 360 HD22 LEU 45 1HD2 LEU 45 12.658 -6.330 2.546 361 HD23 LEU 45 2HD2 LEU 45 12.058 -7.822 3.265 362 H ASP 46 H ASP 46 13.287 -11.189 6.033 363 HA ASP 46 HA ASP 46 15.637 -12.696 5.911 364 HB2 ASP 46 2HB ASP 46 14.358 -12.206 7.990 365 HB3 ASP 46 1HB ASP 46 13.133 -13.362 7.471 366 H ALA 47 H ALA 47 12.396 -13.403 4.763 367 HA ALA 47 HA ALA 47 12.576 -16.169 4.469 368 HB1 ALA 47 1HB ALA 47 10.873 -15.796 2.610 369 HB2 ALA 47 2HB ALA 47 11.055 -14.069 2.928 370 HB3 ALA 47 3HB ALA 47 10.456 -15.143 4.195 371 H GLN 48 H GLN 48 13.779 -13.605 2.368 372 HA GLN 48 HA GLN 48 14.288 -15.217 0.104 373 HB2 GLN 48 2HB GLN 48 15.821 -12.763 1.006 374 HB3 GLN 48 1HB GLN 48 15.861 -13.489 -0.601 375 HG2 GLN 48 2HG GLN 48 13.463 -12.201 0.740 376 HG3 GLN 48 1HG GLN 48 14.335 -11.614 -0.666 377 HE21 GLN 48 1HE2 GLN 48 11.552 -13.198 0.178 378 HE22 GLN 48 2HE2 GLN 48 11.287 -14.074 -1.256 379 H LYS 49 H LYS 49 16.061 -14.630 3.052 380 HA LYS 49 HA LYS 49 17.827 -15.700 4.032 381 HB2 LYS 49 2HB LYS 49 16.562 -17.744 3.378 382 HB3 LYS 49 1HB LYS 49 17.471 -17.782 1.868 383 HG2 LYS 49 2HG LYS 49 19.586 -17.896 3.165 384 HG3 LYS 49 1HG LYS 49 18.646 -17.935 4.657 385 HD2 LYS 49 2HD LYS 49 17.488 -19.992 3.810 386 HD3 LYS 49 1HD LYS 49 18.585 -19.986 2.428 387 HE2 LYS 49 2HE LYS 49 20.512 -20.228 3.890 388 HE3 LYS 49 1HE LYS 49 19.490 -20.076 5.320 389 HZ1 LYS 49 3HZ LYS 49 19.736 -22.314 3.439 390 HZ2 LYS 49 1HZ LYS 49 18.251 -22.068 4.221 391 HZ3 LYS 49 2HZ LYS 49 19.657 -22.333 5.136 392 H ASP 50 H ASP 50 17.957 -15.196 0.558 393 HA ASP 50 HA ASP 50 20.775 -15.592 0.309 394 HB2 ASP 50 2HB ASP 50 18.837 -14.069 -1.435 395 HB3 ASP 50 1HB ASP 50 20.531 -14.369 -1.834 396 H VAL 51 H VAL 51 22.438 -14.155 0.322 397 HA VAL 51 HA VAL 51 22.143 -11.825 1.968 398 HB VAL 51 HB VAL 51 24.503 -11.556 1.761 399 HG11 VAL 51 1HG1 VAL 51 23.406 -13.798 2.764 400 HG12 VAL 51 2HG1 VAL 51 25.147 -13.519 2.755 401 HG13 VAL 51 3HG1 VAL 51 24.411 -14.525 1.508 402 HG21 VAL 51 3HG2 VAL 51 25.802 -12.919 0.082 403 HG22 VAL 51 1HG2 VAL 51 24.781 -11.676 -0.634 404 HG23 VAL 51 2HG2 VAL 51 24.271 -13.362 -0.666 405 H ASP 52 H ASP 52 22.279 -12.452 -1.456 406 HA ASP 52 HA ASP 52 22.577 -9.637 -2.152 407 HB2 ASP 52 2HB ASP 52 22.205 -12.126 -3.832 408 HB3 ASP 52 1HB ASP 52 22.367 -10.502 -4.498 409 H ALA 53 H ALA 53 20.126 -11.287 -0.904 410 HA ALA 53 HA ALA 53 17.957 -11.027 -2.640 411 HB1 ALA 53 1HB ALA 53 17.914 -10.638 0.357 412 HB2 ALA 53 2HB ALA 53 17.955 -12.210 -0.437 413 HB3 ALA 53 3HB ALA 53 16.570 -11.138 -0.667 414 H VAL 54 H VAL 54 19.387 -8.659 -0.402 415 HA VAL 54 HA VAL 54 17.417 -6.663 -0.704 416 HB VAL 54 HB VAL 54 19.296 -6.638 0.979 417 HG11 VAL 54 1HG1 VAL 54 21.493 -6.024 0.327 418 HG12 VAL 54 2HG1 VAL 54 20.960 -5.488 -1.266 419 HG13 VAL 54 3HG1 VAL 54 21.014 -7.208 -0.888 420 HG21 VAL 54 3HG2 VAL 54 18.151 -4.594 0.837 421 HG22 VAL 54 1HG2 VAL 54 18.657 -4.317 -0.830 422 HG23 VAL 54 2HG2 VAL 54 19.810 -4.110 0.483 423 H ASP 55 H ASP 55 20.375 -7.376 -2.520 424 HA ASP 55 HA ASP 55 20.285 -5.174 -4.266 425 HB2 ASP 55 2HB ASP 55 21.355 -7.968 -4.617 426 HB3 ASP 55 1HB ASP 55 21.653 -6.665 -5.764 427 H LYS 56 H LYS 56 18.912 -8.438 -4.478 428 HA LYS 56 HA LYS 56 17.828 -8.176 -7.072 429 HB2 LYS 56 2HB LYS 56 16.927 -9.867 -4.730 430 HB3 LYS 56 1HB LYS 56 16.331 -10.043 -6.380 431 HG2 LYS 56 2HG LYS 56 18.679 -10.425 -7.144 432 HG3 LYS 56 1HG LYS 56 19.202 -10.368 -5.461 433 HD2 LYS 56 2HD LYS 56 17.639 -12.252 -4.956 434 HD3 LYS 56 1HD LYS 56 17.258 -12.353 -6.675 435 HE2 LYS 56 2HE LYS 56 19.965 -12.781 -5.382 436 HE3 LYS 56 1HE LYS 56 18.974 -13.993 -6.195 437 HZ1 LYS 56 3HZ LYS 56 20.574 -13.318 -7.752 438 HZ2 LYS 56 1HZ LYS 56 20.369 -11.673 -7.393 439 HZ3 LYS 56 2HZ LYS 56 19.147 -12.520 -8.215 440 H VAL 57 H VAL 57 16.531 -7.409 -3.871 441 HA VAL 57 HA VAL 57 13.902 -6.836 -4.725 442 HB VAL 57 HB VAL 57 15.451 -5.952 -2.293 443 HG11 VAL 57 1HG1 VAL 57 13.735 -4.335 -2.493 444 HG12 VAL 57 2HG1 VAL 57 13.046 -5.559 -1.425 445 HG13 VAL 57 3HG1 VAL 57 12.584 -5.510 -3.127 446 HG21 VAL 57 3HG2 VAL 57 14.847 -8.431 -2.755 447 HG22 VAL 57 1HG2 VAL 57 13.179 -7.934 -2.475 448 HG23 VAL 57 2HG2 VAL 57 14.378 -7.757 -1.193 449 H MET 58 H MET 58 16.647 -4.585 -4.085 450 HA MET 58 HA MET 58 15.035 -2.332 -4.747 451 HB2 MET 58 2HB MET 58 16.760 -1.013 -4.122 452 HB3 MET 58 1HB MET 58 17.284 -2.500 -3.357 453 HG2 MET 58 2HG MET 58 19.212 -1.780 -4.483 454 HG3 MET 58 1HG MET 58 18.525 -2.936 -5.618 455 HE1 MET 58 3HE MET 58 18.588 0.454 -4.299 456 HE2 MET 58 1HE MET 58 18.273 1.590 -5.617 457 HE3 MET 58 2HE MET 58 19.857 0.833 -5.461 458 H LYS 59 H LYS 59 17.235 -4.258 -6.781 459 HA LYS 59 HA LYS 59 17.356 -2.386 -8.885 460 HB2 LYS 59 2HB LYS 59 17.513 -5.401 -9.058 461 HB3 LYS 59 1HB LYS 59 17.942 -4.286 -10.357 462 HG2 LYS 59 2HG LYS 59 19.242 -4.281 -7.637 463 HG3 LYS 59 1HG LYS 59 19.911 -5.040 -9.080 464 HD2 LYS 59 2HD LYS 59 19.340 -2.555 -10.064 465 HD3 LYS 59 1HD LYS 59 19.672 -2.159 -8.377 466 HE2 LYS 59 2HE LYS 59 21.468 -3.800 -10.149 467 HE3 LYS 59 1HE LYS 59 21.715 -2.089 -9.789 468 HZ1 LYS 59 3HZ LYS 59 22.947 -2.920 -8.111 469 HZ2 LYS 59 1HZ LYS 59 22.157 -4.421 -8.114 470 HZ3 LYS 59 2HZ LYS 59 21.444 -3.090 -7.335 471 H GLU 60 H GLU 60 14.942 -4.903 -8.197 472 HA GLU 60 HA GLU 60 13.494 -4.586 -10.619 473 HB2 GLU 60 2HB GLU 60 13.197 -6.489 -9.043 474 HB3 GLU 60 1HB GLU 60 12.436 -5.389 -7.897 475 HG2 GLU 60 2HG GLU 60 10.723 -4.833 -9.615 476 HG3 GLU 60 1HG GLU 60 11.452 -6.018 -10.692 477 H LEU 61 H LEU 61 13.277 -3.064 -7.462 478 HA LEU 61 HA LEU 61 10.989 -1.502 -8.032 479 HB2 LEU 61 2HB LEU 61 13.115 -1.097 -5.937 480 HB3 LEU 61 1HB LEU 61 11.563 -0.280 -5.978 481 HG LEU 61 HG LEU 61 11.973 -3.267 -5.711 482 HD11 LEU 61 1HD1 LEU 61 10.678 -1.507 -3.661 483 HD12 LEU 61 2HD1 LEU 61 12.438 -1.533 -3.763 484 HD13 LEU 61 3HD1 LEU 61 11.554 -3.021 -3.439 485 HD21 LEU 61 3HD2 LEU 61 9.419 -2.953 -5.054 486 HD22 LEU 61 1HD2 LEU 61 9.879 -3.178 -6.732 487 HD23 LEU 61 2HD2 LEU 61 9.534 -1.557 -6.104 488 H ASP 62 H ASP 62 14.419 -0.882 -8.481 489 HA ASP 62 HA ASP 62 14.006 1.916 -8.858 490 HB2 ASP 62 2HB ASP 62 16.205 0.878 -8.260 491 HB3 ASP 62 1HB ASP 62 16.299 0.258 -9.909 492 H GLU 63 H GLU 63 12.248 1.983 -10.272 493 HA GLU 63 HA GLU 63 12.160 0.915 -12.891 494 HB2 GLU 63 2HB GLU 63 10.190 1.790 -11.780 495 HB3 GLU 63 1HB GLU 63 10.950 3.378 -11.619 496 HG2 GLU 63 2HG GLU 63 11.047 3.609 -14.039 497 HG3 GLU 63 1HG GLU 63 10.267 2.022 -14.246 498 H ASN 64 H ASN 64 13.076 3.977 -11.585 499 HA ASN 64 HA ASN 64 13.717 5.397 -13.876 500 HB2 ASN 64 2HB ASN 64 14.759 5.410 -11.096 501 HB3 ASN 64 1HB ASN 64 15.027 6.739 -12.222 502 HD21 ASN 64 1HD2 ASN 64 12.511 7.067 -13.356 503 HD22 ASN 64 2HD2 ASN 64 11.356 7.390 -12.154 504 H GLY 65 H GLY 65 15.612 3.161 -11.916 505 HA2 GLY 65 2HA GLY 65 17.549 1.992 -12.474 506 HA3 GLY 65 1HA GLY 65 17.580 2.841 -14.023 507 H ASP 66 H ASP 66 17.069 4.723 -11.226 508 HA ASP 66 HA ASP 66 19.566 6.130 -11.644 509 HB2 ASP 66 2HB ASP 66 18.607 7.761 -10.065 510 HB3 ASP 66 1HB ASP 66 17.482 7.378 -11.365 511 H GLY 67 H GLY 67 18.882 3.448 -9.907 512 HA2 GLY 67 2HA GLY 67 20.301 2.341 -8.419 513 HA3 GLY 67 1HA GLY 67 21.190 3.845 -8.188 514 H GLU 68 H GLU 68 18.061 4.673 -7.910 515 HA GLU 68 HA GLU 68 17.973 4.201 -4.982 516 HB2 GLU 68 2HB GLU 68 17.094 6.622 -6.537 517 HB3 GLU 68 1HB GLU 68 16.687 6.341 -4.854 518 HG2 GLU 68 2HG GLU 68 18.556 7.713 -4.691 519 HG3 GLU 68 1HG GLU 68 19.266 6.100 -4.541 520 H VAL 69 H VAL 69 15.957 4.101 -4.040 521 HA VAL 69 HA VAL 69 13.775 3.162 -5.778 522 HB VAL 69 HB VAL 69 14.186 2.701 -2.812 523 HG11 VAL 69 1HG1 VAL 69 12.523 0.853 -3.247 524 HG12 VAL 69 2HG1 VAL 69 12.266 1.565 -4.837 525 HG13 VAL 69 3HG1 VAL 69 11.877 2.488 -3.384 526 HG21 VAL 69 3HG2 VAL 69 14.811 0.386 -3.465 527 HG22 VAL 69 1HG2 VAL 69 15.968 1.592 -4.023 528 HG23 VAL 69 2HG2 VAL 69 14.805 0.893 -5.154 529 H ASP 70 H ASP 70 11.943 4.429 -5.785 530 HA ASP 70 HA ASP 70 11.999 6.818 -4.077 531 HB2 ASP 70 2HB ASP 70 11.833 7.074 -6.554 532 HB3 ASP 70 1HB ASP 70 10.262 6.318 -6.474 533 H PHE 71 H PHE 71 10.021 7.651 -3.193 534 HA PHE 71 HA PHE 71 8.783 5.975 -1.387 535 HB2 PHE 71 2HB PHE 71 8.805 8.543 -1.594 536 HB3 PHE 71 1HB PHE 71 7.448 8.355 -2.687 537 HD1 PHE 71 1HD PHE 71 6.678 5.755 -0.608 538 HD2 PHE 71 2HD PHE 71 7.131 10.019 -0.408 539 HE1 PHE 71 1HE PHE 71 5.120 5.828 1.312 540 HE2 PHE 71 2HE PHE 71 5.586 10.073 1.514 541 HZ PHE 71 HZ PHE 71 4.587 7.988 2.370 542 H GLN 72 H GLN 72 7.638 6.911 -4.657 543 HA GLN 72 HA GLN 72 5.186 5.484 -4.513 544 HB2 GLN 72 2HB GLN 72 6.920 6.190 -6.900 545 HB3 GLN 72 1HB GLN 72 5.279 5.552 -7.011 546 HG2 GLN 72 2HG GLN 72 4.431 7.468 -5.744 547 HG3 GLN 72 1HG GLN 72 6.053 8.105 -5.563 548 HE21 GLN 72 1HE2 GLN 72 4.064 9.659 -6.791 549 HE22 GLN 72 2HE2 GLN 72 4.418 9.810 -8.440 550 H GLU 73 H GLU 73 8.457 4.519 -5.544 551 HA GLU 73 HA GLU 73 7.784 1.941 -6.498 552 HB2 GLU 73 2HB GLU 73 10.351 2.977 -5.291 553 HB3 GLU 73 1HB GLU 73 10.197 1.463 -6.165 554 HG2 GLU 73 2HG GLU 73 9.446 2.755 -8.175 555 HG3 GLU 73 1HG GLU 73 9.741 4.247 -7.282 556 H TYR 74 H TYR 74 8.808 3.169 -3.360 557 HA TYR 74 HA TYR 74 8.966 0.736 -1.919 558 HB2 TYR 74 2HB TYR 74 9.933 2.922 -1.213 559 HB3 TYR 74 1HB TYR 74 8.301 3.521 -0.927 560 HD1 TYR 74 1HD TYR 74 10.907 1.172 0.195 561 HD2 TYR 74 2HD TYR 74 7.000 2.771 0.986 562 HE1 TYR 74 1HE TYR 74 10.970 0.200 2.473 563 HE2 TYR 74 2HE TYR 74 7.062 1.788 3.264 564 HH TYR 74 HH TYR 74 9.515 -0.457 4.224 565 H VAL 75 H VAL 75 6.451 3.061 -2.489 566 HA VAL 75 HA VAL 75 4.499 2.026 -0.757 567 HB VAL 75 HB VAL 75 4.653 4.222 -2.567 568 HG11 VAL 75 1HG1 VAL 75 2.395 4.158 -3.621 569 HG12 VAL 75 2HG1 VAL 75 2.316 2.448 -3.252 570 HG13 VAL 75 3HG1 VAL 75 3.551 3.048 -4.342 571 HG21 VAL 75 3HG2 VAL 75 3.779 4.540 -0.397 572 HG22 VAL 75 1HG2 VAL 75 2.547 3.290 -0.617 573 HG23 VAL 75 2HG2 VAL 75 2.422 4.815 -1.491 574 H VAL 76 H VAL 76 5.069 1.392 -4.249 575 HA VAL 76 HA VAL 76 2.921 -0.505 -4.294 576 HB VAL 76 HB VAL 76 3.738 -1.240 -6.441 577 HG11 VAL 76 1HG1 VAL 76 4.318 1.711 -6.412 578 HG12 VAL 76 2HG1 VAL 76 2.699 1.127 -6.023 579 HG13 VAL 76 3HG1 VAL 76 3.412 0.769 -7.596 580 HG21 VAL 76 3HG2 VAL 76 5.858 -0.573 -7.354 581 HG22 VAL 76 1HG2 VAL 76 6.184 -1.244 -5.757 582 HG23 VAL 76 2HG2 VAL 76 6.159 0.496 -5.995 583 H LEU 77 H LEU 77 6.381 -0.707 -3.470 584 HA LEU 77 HA LEU 77 6.595 -3.512 -3.474 585 HB2 LEU 77 2HB LEU 77 8.556 -2.162 -3.122 586 HB3 LEU 77 1HB LEU 77 7.880 -1.467 -1.659 587 HG LEU 77 HG LEU 77 7.899 -3.744 -0.609 588 HD11 LEU 77 1HD1 LEU 77 7.822 -5.187 -2.538 589 HD12 LEU 77 2HD1 LEU 77 9.347 -5.473 -1.709 590 HD13 LEU 77 3HD1 LEU 77 9.310 -4.505 -3.173 591 HD21 LEU 77 3HD2 LEU 77 10.517 -3.874 -0.649 592 HD22 LEU 77 1HD2 LEU 77 9.710 -2.468 0.049 593 HD23 LEU 77 2HD2 LEU 77 10.381 -2.384 -1.582 594 H VAL 78 H VAL 78 5.644 -1.407 -0.703 595 HA VAL 78 HA VAL 78 5.121 -3.702 0.918 596 HB VAL 78 HB VAL 78 4.038 -2.209 2.529 597 HG11 VAL 78 1HG1 VAL 78 6.148 -0.495 2.491 598 HG12 VAL 78 2HG1 VAL 78 6.749 -1.761 1.417 599 HG13 VAL 78 3HG1 VAL 78 6.237 -2.161 3.063 600 HG21 VAL 78 3HG2 VAL 78 3.014 -0.663 0.797 601 HG22 VAL 78 1HG2 VAL 78 4.607 0.071 0.610 602 HG23 VAL 78 2HG2 VAL 78 3.780 0.143 2.160 603 H ALA 79 H ALA 79 3.071 -1.727 -1.190 604 HA ALA 79 HA ALA 79 0.627 -2.879 -0.217 605 HB1 ALA 79 1HB ALA 79 1.121 -0.778 -1.760 606 HB2 ALA 79 2HB ALA 79 -0.418 -1.622 -1.799 607 HB3 ALA 79 3HB ALA 79 0.803 -1.946 -3.036 608 H ALA 80 H ALA 80 2.662 -3.627 -3.034 609 HA ALA 80 HA ALA 80 1.079 -5.752 -4.010 610 HB1 ALA 80 1HB ALA 80 3.255 -6.443 -5.139 611 HB2 ALA 80 2HB ALA 80 4.004 -5.067 -4.330 612 HB3 ALA 80 3HB ALA 80 2.692 -4.806 -5.482 613 H LEU 81 H LEU 81 3.783 -5.577 -1.694 614 HA LEU 81 HA LEU 81 3.882 -8.409 -1.305 615 HB2 LEU 81 2HB LEU 81 5.020 -6.050 0.111 616 HB3 LEU 81 1HB LEU 81 4.888 -7.556 1.014 617 HG LEU 81 HG LEU 81 6.274 -8.730 -0.528 618 HD11 LEU 81 1HD1 LEU 81 7.209 -7.351 -2.562 619 HD12 LEU 81 2HD1 LEU 81 5.722 -6.435 -2.380 620 HD13 LEU 81 3HD1 LEU 81 5.658 -8.162 -2.700 621 HD21 LEU 81 3HD2 LEU 81 8.342 -7.543 -0.382 622 HD22 LEU 81 1HD2 LEU 81 7.387 -7.039 1.012 623 HD23 LEU 81 2HD2 LEU 81 7.524 -5.981 -0.392 624 H THR 82 H THR 82 1.915 -5.818 0.085 625 HA THR 82 HA THR 82 0.889 -7.309 2.265 626 HB THR 82 HB THR 82 -0.545 -5.194 0.647 627 HG1 THR 82 1HG THR 82 0.529 -3.744 1.805 628 HG21 THR 82 3HG2 THR 82 -2.085 -6.218 2.118 629 HG22 THR 82 1HG2 THR 82 -1.535 -4.776 2.973 630 HG23 THR 82 2HG2 THR 82 -0.884 -6.356 3.404 631 H VAL 83 H VAL 83 -0.451 -6.805 -1.023 632 HA VAL 83 HA VAL 83 -2.641 -8.595 -0.597 633 HB VAL 83 HB VAL 83 -2.694 -6.951 -2.444 634 HG11 VAL 83 1HG1 VAL 83 -0.847 -8.807 -3.955 635 HG12 VAL 83 2HG1 VAL 83 -0.269 -7.363 -3.142 636 HG13 VAL 83 3HG1 VAL 83 -1.425 -7.215 -4.436 637 HG21 VAL 83 3HG2 VAL 83 -3.893 -9.306 -2.370 638 HG22 VAL 83 1HG2 VAL 83 -2.833 -9.658 -3.737 639 HG23 VAL 83 2HG2 VAL 83 -3.977 -8.316 -3.825 640 H ALA 84 H ALA 84 0.631 -9.085 -1.826 641 HA ALA 84 HA ALA 84 0.269 -11.779 -2.640 642 HB1 ALA 84 1HB ALA 84 2.190 -10.263 -3.258 643 HB2 ALA 84 2HB ALA 84 2.657 -11.884 -2.743 644 HB3 ALA 84 3HB ALA 84 2.824 -10.523 -1.633 645 H CYS 85 H CHC 85 0.915 -10.213 0.399 646 HA CYS 85 HA CHC 85 1.728 -12.511 1.860 647 HB2 CYS 85 2HB CHC 85 2.114 -10.127 2.564 648 HB3 CYS 85 1HB CHC 85 0.393 -10.015 2.930 649 H ASN 86 H ASN 86 -1.391 -10.718 1.761 650 HA ASN 86 HA ASN 86 -2.786 -12.579 3.348 651 HB2 ASN 86 2HB ASN 86 -3.674 -10.347 2.629 652 HB3 ASN 86 1HB ASN 86 -3.937 -11.027 1.023 653 HD21 ASN 86 1HD2 ASN 86 -4.802 -11.616 4.472 654 HD22 ASN 86 2HD2 ASN 86 -6.312 -12.307 4.125 655 H ASN 87 H ASN 87 -2.179 -12.474 -0.152 656 HA ASN 87 HA ASN 87 -3.711 -14.738 -0.862 657 HB2 ASN 87 2HB ASN 87 -2.544 -13.060 -2.435 658 HB3 ASN 87 1HB ASN 87 -1.095 -14.032 -2.168 659 HD21 ASN 87 1HD2 ASN 87 -1.341 -14.485 -4.590 660 HD22 ASN 87 2HD2 ASN 87 -2.371 -15.755 -5.047 661 H PHE 88 H PHE 88 -0.427 -14.350 0.366 662 HA PHE 88 HA PHE 88 0.422 -17.010 0.001 663 HB2 PHE 88 2HB PHE 88 1.935 -15.116 0.551 664 HB3 PHE 88 1HB PHE 88 1.270 -15.093 2.183 665 HD1 PHE 88 1HD PHE 88 3.216 -17.094 -0.253 666 HD2 PHE 88 2HD PHE 88 1.853 -16.769 3.808 667 HE1 PHE 88 1HE PHE 88 4.778 -18.901 0.416 668 HE2 PHE 88 2HE PHE 88 3.414 -18.576 4.476 669 HZ PHE 88 HZ PHE 88 4.877 -19.641 2.780 670 H PHE 89 H PHE 89 -1.142 -15.416 2.789 671 HA PHE 89 HA PHE 89 -1.086 -17.712 4.453 672 HB2 PHE 89 2HB PHE 89 -1.435 -15.404 5.278 673 HB3 PHE 89 1HB PHE 89 -3.032 -15.402 4.530 674 HD1 PHE 89 1HD PHE 89 -0.928 -16.965 7.149 675 HD2 PHE 89 2HD PHE 89 -4.875 -16.617 5.491 676 HE1 PHE 89 1HE PHE 89 -1.864 -18.109 9.140 677 HE2 PHE 89 2HE PHE 89 -5.811 -17.761 7.483 678 HZ PHE 89 HZ PHE 89 -4.306 -18.508 9.307 679 H TRP 90 H TRP 90 -3.822 -16.320 2.584 680 HA TRP 90 HA TRP 90 -5.600 -18.464 3.140 681 HB2 TRP 90 2HB TRP 90 -6.372 -16.267 2.364 682 HB3 TRP 90 1HB TRP 90 -5.648 -16.593 0.783 683 HD1 TRP 90 HD TRP 90 -6.536 -18.762 -0.509 684 HE1 TRP 90 1HE TRP 90 -8.881 -19.824 -0.585 685 HE3 TRP 90 3HE TRP 90 -8.537 -16.688 3.683 686 HZ2 TRP 90 2HZ TRP 90 -11.304 -19.785 0.952 687 HZ3 TRP 90 3HZ TRP 90 -10.863 -17.211 4.364 688 HH2 TRP 90 HH TRP 90 -12.247 -18.757 3.005 689 H GLU 91 H GLU 91 -3.429 -17.864 0.472 690 HA GLU 91 HA GLU 91 -4.177 -20.397 -0.796 691 HB2 GLU 91 2HB GLU 91 -3.679 -17.885 -1.797 692 HB3 GLU 91 1HB GLU 91 -2.134 -18.677 -2.087 693 HG2 GLU 91 2HG GLU 91 -4.834 -19.807 -2.906 694 HG3 GLU 91 1HG GLU 91 -3.761 -18.921 -3.985 695 H ASN 92 H ASN 92 -2.698 -22.059 -1.154 696 HA ASN 92 HA ASN 92 -0.747 -22.546 0.774 697 HB2 ASN 92 2HB ASN 92 -1.011 -23.689 -2.014 698 HB3 ASN 92 1HB ASN 92 0.048 -24.339 -0.764 699 HD21 ASN 92 1HD2 ASN 92 -2.081 -25.913 -1.843 700 HD22 ASN 92 2HD2 ASN 92 -3.244 -26.143 -0.628 701 H SER 93 H SER 93 -0.470 -20.982 -2.367 702 HA SER 93 HA SER 93 2.197 -20.035 -1.620 703 HB2 SER 93 2HB SER 93 3.157 -20.657 -3.783 704 HB3 SER 93 1HB SER 93 2.575 -22.094 -2.947 705 HG SER 93 HG SER 93 1.088 -20.620 -4.867 706 H1 GLY 1 H GLY 1 10.405 -3.133 15.188 707 HA2 GLY 1 2HA GLY 1 8.927 -0.761 14.219 708 HA3 GLY 1 1HA GLY 1 10.095 -1.675 13.275 709 H SER 2 H SER 2 7.657 -3.156 15.283 710 HA SER 2 HA SER 2 6.686 -4.809 13.190 711 HB2 SER 2 2HB SER 2 5.093 -5.611 14.807 712 HB3 SER 2 1HB SER 2 6.623 -5.360 15.641 713 HG SER 2 HG SER 2 5.190 -3.089 15.624 714 H GLU 3 H GLU 3 6.091 -1.572 13.951 715 HA GLU 3 HA GLU 3 3.356 -1.278 13.487 716 HB2 GLU 3 2HB GLU 3 5.637 0.616 12.938 717 HB3 GLU 3 1HB GLU 3 3.937 1.074 12.875 718 HG2 GLU 3 2HG GLU 3 3.668 0.332 15.221 719 HG3 GLU 3 1HG GLU 3 5.387 -0.057 15.282 720 H LEU 4 H LEU 4 6.011 -1.346 11.047 721 HA LEU 4 HA LEU 4 4.336 -0.512 8.899 722 HB2 LEU 4 2HB LEU 4 6.912 -0.820 8.979 723 HB3 LEU 4 1HB LEU 4 6.569 -2.509 8.614 724 HG LEU 4 HG LEU 4 5.476 -0.222 6.954 725 HD11 LEU 4 1HD1 LEU 4 7.290 -0.331 5.464 726 HD12 LEU 4 2HD1 LEU 4 7.911 -1.817 6.173 727 HD13 LEU 4 3HD1 LEU 4 8.044 -0.298 7.057 728 HD21 LEU 4 3HD2 LEU 4 4.322 -1.880 6.000 729 HD22 LEU 4 1HD2 LEU 4 5.254 -3.139 6.799 730 HD23 LEU 4 2HD2 LEU 4 5.839 -2.427 5.300 731 H GLU 5 H GLU 5 5.178 -3.655 10.268 732 HA GLU 5 HA GLU 5 3.742 -5.280 8.450 733 HB2 GLU 5 2HB GLU 5 5.534 -5.859 10.308 734 HB3 GLU 5 1HB GLU 5 4.110 -6.055 11.326 735 HG2 GLU 5 2HG GLU 5 4.439 -7.432 8.646 736 HG3 GLU 5 1HG GLU 5 4.896 -8.167 10.177 737 H THR 6 H THR 6 2.916 -3.740 11.521 738 HA THR 6 HA THR 6 0.366 -4.885 11.863 739 HB THR 6 HB THR 6 1.256 -2.102 12.664 740 HG1 THR 6 1HG THR 6 1.273 -4.054 14.552 741 HG21 THR 6 3HG2 THR 6 -0.896 -3.971 13.692 742 HG22 THR 6 1HG2 THR 6 -1.144 -2.424 12.882 743 HG23 THR 6 2HG2 THR 6 -0.415 -2.472 14.488 744 H ALA 7 H ALA 7 1.500 -2.054 10.089 745 HA ALA 7 HA ALA 7 -1.044 -1.069 9.338 746 HB1 ALA 7 1HB ALA 7 1.459 -0.826 7.680 747 HB2 ALA 7 2HB ALA 7 1.229 0.094 9.166 748 HB3 ALA 7 3HB ALA 7 0.122 0.316 7.812 749 H MET 8 H MET 8 1.249 -3.302 7.742 750 HA MET 8 HA MET 8 -0.240 -3.686 5.362 751 HB2 MET 8 2HB MET 8 1.566 -5.569 6.916 752 HB3 MET 8 1HB MET 8 0.966 -5.900 5.294 753 HG2 MET 8 2HG MET 8 2.049 -3.832 4.472 754 HG3 MET 8 1HG MET 8 2.668 -3.512 6.082 755 HE1 MET 8 3HE MET 8 2.460 -6.961 3.930 756 HE2 MET 8 1HE MET 8 3.987 -6.695 3.084 757 HE3 MET 8 2HE MET 8 2.690 -5.516 2.949 758 H GLU 9 H GLU 9 -0.383 -5.252 8.531 759 HA GLU 9 HA GLU 9 -2.378 -7.157 7.871 760 HB2 GLU 9 2HB GLU 9 -1.584 -5.951 10.528 761 HB3 GLU 9 1HB GLU 9 -2.727 -7.282 10.346 762 HG2 GLU 9 2HG GLU 9 -0.979 -8.602 9.182 763 HG3 GLU 9 1HG GLU 9 0.163 -7.288 9.433 764 H THR 10 H THR 10 -2.489 -3.806 8.999 765 HA THR 10 HA THR 10 -5.255 -3.761 9.588 766 HB THR 10 HB THR 10 -3.553 -1.478 8.574 767 HG1 THR 10 1HG THR 10 -3.074 -2.856 10.624 768 HG21 THR 10 3HG2 THR 10 -5.203 -0.131 9.902 769 HG22 THR 10 1HG2 THR 10 -6.139 -1.606 10.150 770 HG23 THR 10 2HG2 THR 10 -5.927 -0.960 8.521 771 H LEU 11 H LEU 11 -3.427 -3.068 6.595 772 HA LEU 11 HA LEU 11 -5.685 -2.294 5.065 773 HB2 LEU 11 2HB LEU 11 -3.214 -3.721 4.056 774 HB3 LEU 11 1HB LEU 11 -4.320 -2.744 3.101 775 HG LEU 11 HG LEU 11 -2.469 -1.777 5.294 776 HD11 LEU 11 1HD1 LEU 11 -2.576 -1.408 2.300 777 HD12 LEU 11 2HD1 LEU 11 -1.272 -2.109 3.259 778 HD13 LEU 11 3HD1 LEU 11 -1.605 -0.379 3.354 779 HD21 LEU 11 3HD2 LEU 11 -4.322 -0.354 5.561 780 HD22 LEU 11 1HD2 LEU 11 -4.723 -0.397 3.841 781 HD23 LEU 11 2HD2 LEU 11 -3.325 0.516 4.399 782 H ILE 12 H ILE 12 -4.113 -5.417 5.648 783 HA ILE 12 HA ILE 12 -5.797 -6.918 3.925 784 HB ILE 12 HB ILE 12 -4.325 -7.781 6.418 785 HG12 ILE 12 2HG1 ILE 12 -3.622 -8.189 3.502 786 HG13 ILE 12 1HG1 ILE 12 -2.993 -6.853 4.449 787 HG21 ILE 12 1HG2 ILE 12 -4.538 -10.061 5.260 788 HG22 ILE 12 2HG2 ILE 12 -5.800 -9.319 4.275 789 HG23 ILE 12 3HG2 ILE 12 -5.995 -9.428 6.024 790 HD11 ILE 12 3HD1 ILE 12 -1.612 -9.082 4.264 791 HD12 ILE 12 1HD1 ILE 12 -2.746 -9.662 5.484 792 HD13 ILE 12 2HD1 ILE 12 -1.725 -8.265 5.824 793 H ASN 13 H ASN 13 -6.070 -6.224 7.396 794 HA ASN 13 HA ASN 13 -8.369 -7.757 7.868 795 HB2 ASN 13 2HB ASN 13 -7.350 -5.279 9.257 796 HB3 ASN 13 1HB ASN 13 -8.645 -6.304 9.871 797 HD21 ASN 13 1HD2 ASN 13 -6.206 -5.972 11.332 798 HD22 ASN 13 2HD2 ASN 13 -5.378 -7.454 11.329 799 H VAL 14 H VAL 14 -8.090 -4.323 6.882 800 HA VAL 14 HA VAL 14 -10.937 -3.972 7.087 801 HB VAL 14 HB VAL 14 -10.668 -1.785 6.100 802 HG11 VAL 14 1HG1 VAL 14 -8.626 -1.029 7.629 803 HG12 VAL 14 2HG1 VAL 14 -8.768 -2.681 8.227 804 HG13 VAL 14 3HG1 VAL 14 -10.143 -1.587 8.333 805 HG21 VAL 14 3HG2 VAL 14 -8.273 -1.045 5.505 806 HG22 VAL 14 1HG2 VAL 14 -9.125 -2.029 4.317 807 HG23 VAL 14 2HG2 VAL 14 -7.903 -2.751 5.355 808 H PHE 15 H PHE 15 -8.732 -4.670 4.366 809 HA PHE 15 HA PHE 15 -10.695 -4.475 2.339 810 HB2 PHE 15 2HB PHE 15 -8.303 -4.648 1.816 811 HB3 PHE 15 1HB PHE 15 -8.280 -6.295 2.456 812 HD1 PHE 15 1HD PHE 15 -10.023 -4.145 -0.065 813 HD2 PHE 15 2HD PHE 15 -8.833 -8.105 1.087 814 HE1 PHE 15 1HE PHE 15 -10.850 -5.031 -2.221 815 HE2 PHE 15 2HE PHE 15 -9.650 -8.984 -1.079 816 HZ PHE 15 HZ PHE 15 -10.663 -7.445 -2.738 817 H HIS 16 H HIS 16 -9.587 -7.172 4.319 818 HA HIS 16 HA HIS 16 -11.424 -9.043 3.261 819 HB2 HIS 16 2HB HIS 16 -9.391 -9.731 4.503 820 HB3 HIS 16 1HB HIS 16 -10.076 -9.035 5.971 821 HD1 HIS 16 1HD HIS 16 -11.949 -10.333 7.151 822 HD2 HIS 16 2HD HIS 16 -10.714 -12.123 3.593 823 HE1 HIS 16 1HE HIS 16 -13.009 -12.634 7.100 824 HE2 HIS 16 2HE HIS 16 -12.265 -13.737 4.937 825 H ALA 17 H ALA 17 -11.598 -6.694 5.843 826 HA ALA 17 HA ALA 17 -13.883 -7.678 7.101 827 HB1 ALA 17 1HB ALA 17 -12.492 -5.678 7.828 828 HB2 ALA 17 2HB ALA 17 -14.233 -5.437 7.912 829 HB3 ALA 17 3HB ALA 17 -13.311 -4.735 6.570 830 H HIS 18 H HIS 18 -13.622 -5.295 4.436 831 HA HIS 18 HA HIS 18 -16.520 -5.416 4.134 832 HB2 HIS 18 2HB HIS 18 -14.344 -3.845 2.833 833 HB3 HIS 18 1HB HIS 18 -15.915 -3.957 2.035 834 HD1 HIS 18 1HD HIS 18 -17.690 -2.414 2.890 835 HD2 HIS 18 2HD HIS 18 -14.671 -2.977 5.710 836 HE1 HIS 18 1HE HIS 18 -18.289 -0.979 4.884 837 HE2 HIS 18 2HE HIS 18 -16.456 -1.298 6.606 838 H SER 19 H SER 19 -13.795 -6.486 2.069 839 HA SER 19 HA SER 19 -15.380 -7.460 -0.015 840 HB2 SER 19 2HB SER 19 -12.949 -7.296 -0.192 841 HB3 SER 19 1HB SER 19 -12.766 -8.582 1.000 842 HG SER 19 HG SER 19 -12.689 -9.390 -1.135 843 H GLY 20 H GLY 20 -14.262 -9.040 2.958 844 HA2 GLY 20 2HA GLY 20 -15.515 -11.535 2.336 845 HA3 GLY 20 1HA GLY 20 -14.804 -11.098 3.874 846 H LYS 21 H LYS 21 -16.308 -8.797 4.492 847 HA LYS 21 HA LYS 21 -18.574 -9.927 5.699 848 HB2 LYS 21 2HB LYS 21 -17.534 -7.916 6.516 849 HB3 LYS 21 1HB LYS 21 -18.002 -7.035 5.058 850 HG2 LYS 21 2HG LYS 21 -20.368 -7.368 5.644 851 HG3 LYS 21 1HG LYS 21 -19.885 -8.275 7.083 852 HD2 LYS 21 2HD LYS 21 -20.325 -5.975 7.730 853 HD3 LYS 21 1HD LYS 21 -18.597 -6.268 7.851 854 HE2 LYS 21 2HE LYS 21 -19.560 -5.273 5.221 855 HE3 LYS 21 1HE LYS 21 -19.662 -4.131 6.560 856 HZ1 LYS 21 3HZ LYS 21 -17.526 -4.024 5.407 857 HZ2 LYS 21 1HZ LYS 21 -17.226 -5.645 5.800 858 HZ3 LYS 21 2HZ LYS 21 -17.343 -4.483 7.033 859 H GLU 22 H GLU 22 -18.428 -8.057 2.631 860 HA GLU 22 HA GLU 22 -21.268 -8.850 2.238 861 HB2 GLU 22 2HB GLU 22 -20.971 -6.438 2.727 862 HB3 GLU 22 1HB GLU 22 -19.975 -6.299 1.279 863 HG2 GLU 22 2HG GLU 22 -21.876 -7.144 -0.081 864 HG3 GLU 22 1HG GLU 22 -22.870 -7.194 1.374 865 H GLY 23 H GLY 23 -21.942 -9.580 0.334 866 HA2 GLY 23 2HA GLY 23 -21.903 -10.518 -1.751 867 HA3 GLY 23 1HA GLY 23 -20.697 -9.309 -2.159 868 H ASP 24 H ASP 24 -19.377 -10.547 -3.365 869 HA ASP 24 HA ASP 24 -18.496 -13.165 -2.644 870 HB2 ASP 24 2HB ASP 24 -17.412 -11.150 -4.626 871 HB3 ASP 24 1HB ASP 24 -16.828 -12.806 -4.473 872 H LYS 25 H LYS 25 -16.524 -13.809 -1.772 873 HA LYS 25 HA LYS 25 -15.285 -11.826 -0.037 874 HB2 LYS 25 2HB LYS 25 -14.647 -14.776 -0.363 875 HB3 LYS 25 1HB LYS 25 -14.109 -13.713 0.948 876 HG2 LYS 25 2HG LYS 25 -16.569 -13.293 1.502 877 HG3 LYS 25 1HG LYS 25 -16.983 -14.566 0.359 878 HD2 LYS 25 2HD LYS 25 -15.148 -14.919 2.753 879 HD3 LYS 25 1HD LYS 25 -16.840 -15.410 2.694 880 HE2 LYS 25 2HE LYS 25 -14.509 -16.529 1.141 881 HE3 LYS 25 1HE LYS 25 -15.665 -17.387 2.158 882 HZ1 LYS 25 3HZ LYS 25 -17.368 -16.491 0.451 883 HZ2 LYS 25 1HZ LYS 25 -16.433 -17.850 0.060 884 HZ3 LYS 25 2HZ LYS 25 -16.015 -16.325 -0.563 885 H TYR 26 H TYR 26 -13.069 -11.294 -0.095 886 HA TYR 26 HA TYR 26 -11.081 -10.753 -1.076 887 HB2 TYR 26 2HB TYR 26 -11.486 -13.375 -2.521 888 HB3 TYR 26 1HB TYR 26 -9.965 -12.484 -2.402 889 HD1 TYR 26 2HD TYR 26 -8.965 -12.033 -0.133 890 HD2 TYR 26 1HD TYR 26 -12.260 -14.727 -0.709 891 HE1 TYR 26 2HE TYR 26 -8.554 -13.013 2.107 892 HE2 TYR 26 1HE TYR 26 -11.852 -15.704 1.534 893 HH TYR 26 HH TYR 26 -10.618 -14.605 3.812 894 H LYS 27 H LYS 27 -13.815 -10.288 -2.481 895 HA LYS 27 HA LYS 27 -12.578 -9.004 -4.799 896 HB2 LYS 27 2HB LYS 27 -13.715 -11.150 -5.637 897 HB3 LYS 27 1HB LYS 27 -15.230 -10.436 -5.121 898 HG2 LYS 27 2HG LYS 27 -15.046 -9.902 -7.426 899 HG3 LYS 27 1HG LYS 27 -14.579 -8.427 -6.578 900 HD2 LYS 27 2HD LYS 27 -12.250 -8.804 -6.980 901 HD3 LYS 27 1HD LYS 27 -12.516 -10.478 -7.444 902 HE2 LYS 27 2HE LYS 27 -13.963 -9.393 -9.349 903 HE3 LYS 27 1HE LYS 27 -13.000 -7.957 -8.983 904 HZ1 LYS 27 3HZ LYS 27 -11.531 -8.879 -10.365 905 HZ2 LYS 27 1HZ LYS 27 -12.220 -10.424 -10.253 906 HZ3 LYS 27 2HZ LYS 27 -11.140 -9.888 -9.055 907 H LEU 28 H LEU 28 -13.273 -6.900 -4.912 908 HA LEU 28 HA LEU 28 -15.398 -6.164 -2.997 909 HB2 LEU 28 2HB LEU 28 -12.910 -5.380 -2.919 910 HB3 LEU 28 1HB LEU 28 -13.367 -4.327 -4.221 911 HG LEU 28 HG LEU 28 -15.020 -3.183 -2.845 912 HD11 LEU 28 1HD1 LEU 28 -15.927 -4.632 -1.236 913 HD12 LEU 28 2HD1 LEU 28 -14.776 -3.745 -0.254 914 HD13 LEU 28 3HD1 LEU 28 -14.361 -5.350 -0.840 915 HD21 LEU 28 3HD2 LEU 28 -13.442 -2.150 -1.219 916 HD22 LEU 28 1HD2 LEU 28 -12.649 -2.419 -2.775 917 HD23 LEU 28 2HD2 LEU 28 -12.347 -3.503 -1.420 918 H SER 29 H SER 29 -17.249 -5.234 -3.727 919 HA SER 29 HA SER 29 -17.396 -4.594 -6.604 920 HB2 SER 29 2HB SER 29 -19.587 -5.166 -4.617 921 HB3 SER 29 1HB SER 29 -19.851 -4.754 -6.302 922 HG SER 29 HG SER 29 -19.397 -7.123 -5.287 923 H LYS 30 H LYS 30 -18.729 -2.694 -7.219 924 HA LYS 30 HA LYS 30 -17.754 -0.336 -6.186 925 HB2 LYS 30 2HB LYS 30 -19.006 -0.579 -8.319 926 HB3 LYS 30 1HB LYS 30 -20.491 -0.701 -7.376 927 HG2 LYS 30 2HG LYS 30 -19.959 1.538 -6.355 928 HG3 LYS 30 1HG LYS 30 -18.584 1.651 -7.453 929 HD2 LYS 30 2HD LYS 30 -20.409 2.810 -8.484 930 HD3 LYS 30 1HD LYS 30 -20.191 1.299 -9.364 931 HE2 LYS 30 2HE LYS 30 -22.034 1.061 -7.049 932 HE3 LYS 30 1HE LYS 30 -22.600 2.158 -8.318 933 HZ1 LYS 30 3HZ LYS 30 -21.853 -0.692 -8.585 934 HZ2 LYS 30 1HZ LYS 30 -22.024 0.332 -9.927 935 HZ3 LYS 30 2HZ LYS 30 -23.354 0.035 -8.911 936 H LYS 31 H LYS 31 -20.854 -1.863 -5.479 937 HA LYS 31 HA LYS 31 -21.837 0.103 -3.770 938 HB2 LYS 31 2HB LYS 31 -23.378 -1.626 -3.018 939 HB3 LYS 31 1HB LYS 31 -23.124 -1.792 -4.759 940 HG2 LYS 31 2HG LYS 31 -21.327 -3.502 -4.247 941 HG3 LYS 31 1HG LYS 31 -21.840 -3.406 -2.561 942 HD2 LYS 31 2HD LYS 31 -24.098 -3.967 -3.228 943 HD3 LYS 31 1HD LYS 31 -23.561 -4.244 -4.877 944 HE2 LYS 31 2HE LYS 31 -23.403 -6.403 -4.042 945 HE3 LYS 31 1HE LYS 31 -21.797 -5.811 -3.623 946 HZ1 LYS 31 3HZ LYS 31 -23.991 -5.376 -1.731 947 HZ2 LYS 31 1HZ LYS 31 -22.338 -5.609 -1.432 948 HZ3 LYS 31 2HZ LYS 31 -23.319 -6.932 -1.845 949 H GLU 32 H GLU 32 -20.033 -2.882 -3.083 950 HA GLU 32 HA GLU 32 -19.921 -2.622 -0.278 951 HB2 GLU 32 2HB GLU 32 -17.899 -3.873 -2.144 952 HB3 GLU 32 1HB GLU 32 -17.988 -4.144 -0.407 953 HG2 GLU 32 2HG GLU 32 -20.288 -5.035 -0.692 954 HG3 GLU 32 1HG GLU 32 -20.119 -4.837 -2.432 955 H LEU 33 H LEU 33 -17.446 -1.600 -2.738 956 HA LEU 33 HA LEU 33 -15.705 -0.628 -0.742 957 HB2 LEU 33 2HB LEU 33 -14.632 0.778 -2.516 958 HB3 LEU 33 1HB LEU 33 -14.673 -0.937 -2.806 959 HG LEU 33 HG LEU 33 -16.970 -0.235 -4.058 960 HD11 LEU 33 1HD1 LEU 33 -16.661 1.821 -5.297 961 HD12 LEU 33 2HD1 LEU 33 -15.025 2.019 -4.685 962 HD13 LEU 33 3HD1 LEU 33 -16.407 2.221 -3.602 963 HD21 LEU 33 3HD2 LEU 33 -14.105 -0.537 -4.952 964 HD22 LEU 33 1HD2 LEU 33 -15.329 -0.133 -6.150 965 HD23 LEU 33 2HD2 LEU 33 -15.460 -1.629 -5.213 966 H LYS 34 H LYS 34 -18.457 0.839 -2.368 967 HA LYS 34 HA LYS 34 -17.951 3.467 -1.541 968 HB2 LYS 34 2HB LYS 34 -19.892 2.811 -2.963 969 HB3 LYS 34 1HB LYS 34 -20.629 2.037 -1.562 970 HG2 LYS 34 2HG LYS 34 -21.650 4.175 -1.670 971 HG3 LYS 34 1HG LYS 34 -20.436 4.333 -0.403 972 HD2 LYS 34 2HD LYS 34 -18.892 5.403 -1.973 973 HD3 LYS 34 1HD LYS 34 -20.027 5.145 -3.288 974 HE2 LYS 34 2HE LYS 34 -19.952 7.291 -1.333 975 HE3 LYS 34 1HE LYS 34 -20.905 7.172 -2.809 976 HZ1 LYS 34 3HZ LYS 34 -22.656 6.221 -1.713 977 HZ2 LYS 34 1HZ LYS 34 -22.064 7.248 -0.501 978 HZ3 LYS 34 2HZ LYS 34 -21.694 5.590 -0.464 979 H GLU 35 H GLU 35 -19.151 0.622 0.218 980 HA GLU 35 HA GLU 35 -19.709 2.115 2.618 981 HB2 GLU 35 2HB GLU 35 -19.433 -0.848 2.102 982 HB3 GLU 35 1HB GLU 35 -19.955 -0.141 3.631 983 HG2 GLU 35 2HG GLU 35 -21.818 0.995 2.455 984 HG3 GLU 35 1HG GLU 35 -21.322 0.218 0.953 985 H LEU 36 H LEU 36 -16.974 0.056 1.531 986 HA LEU 36 HA LEU 36 -15.628 0.027 4.028 987 HB2 LEU 36 2HB LEU 36 -15.195 -1.406 1.932 988 HB3 LEU 36 1HB LEU 36 -14.238 -0.057 1.346 989 HG LEU 36 HG LEU 36 -13.716 -1.713 3.868 990 HD11 LEU 36 1HD1 LEU 36 -13.101 -2.456 1.430 991 HD12 LEU 36 2HD1 LEU 36 -11.908 -2.599 2.719 992 HD13 LEU 36 3HD1 LEU 36 -11.820 -1.257 1.584 993 HD21 LEU 36 3HD2 LEU 36 -12.984 0.417 4.534 994 HD22 LEU 36 1HD2 LEU 36 -12.499 0.884 2.907 995 HD23 LEU 36 2HD2 LEU 36 -11.539 -0.274 3.814 996 H LEU 37 H LEU 37 -15.220 2.273 1.219 997 HA LEU 37 HA LEU 37 -13.125 3.728 2.469 998 HB2 LEU 37 2HB LEU 37 -15.050 4.511 0.280 999 HB3 LEU 37 1HB LEU 37 -13.810 5.602 0.882 1000 HG LEU 37 HG LEU 37 -13.259 4.155 -1.202 1001 HD11 LEU 37 1HD1 LEU 37 -10.937 4.080 -0.609 1002 HD12 LEU 37 2HD1 LEU 37 -11.313 3.949 1.108 1003 HD13 LEU 37 3HD1 LEU 37 -11.623 5.457 0.253 1004 HD21 LEU 37 3HD2 LEU 37 -12.483 1.919 -0.786 1005 HD22 LEU 37 1HD2 LEU 37 -14.108 2.045 -0.130 1006 HD23 LEU 37 2HD2 LEU 37 -12.723 2.100 0.948 1007 H GLN 38 H GLN 38 -16.651 4.245 2.426 1008 HA GLN 38 HA GLN 38 -16.575 6.678 3.858 1009 HB2 GLN 38 2HB GLN 38 -18.748 4.590 3.647 1010 HB3 GLN 38 1HB GLN 38 -18.962 6.167 4.405 1011 HG2 GLN 38 2HG GLN 38 -18.361 7.286 2.310 1012 HG3 GLN 38 1HG GLN 38 -18.070 5.732 1.536 1013 HE21 GLN 38 1HE2 GLN 38 -20.020 7.525 0.488 1014 HE22 GLN 38 2HE2 GLN 38 -21.560 6.851 0.725 1015 H THR 39 H THR 39 -16.715 3.307 4.947 1016 HA THR 39 HA THR 39 -17.061 4.011 7.702 1017 HB THR 39 HB THR 39 -16.579 1.653 8.158 1018 HG1 THR 39 1HG THR 39 -16.200 1.339 5.384 1019 HG21 THR 39 3HG2 THR 39 -18.504 2.499 6.039 1020 HG22 THR 39 1HG2 THR 39 -18.811 1.812 7.633 1021 HG23 THR 39 2HG2 THR 39 -18.293 0.772 6.311 1022 H GLU 40 H GLU 40 -14.245 3.454 5.647 1023 HA GLU 40 HA GLU 40 -12.501 3.705 7.994 1024 HB2 GLU 40 2HB GLU 40 -11.959 2.831 5.166 1025 HB3 GLU 40 1HB GLU 40 -10.701 3.094 6.364 1026 HG2 GLU 40 2HG GLU 40 -13.001 1.157 6.675 1027 HG3 GLU 40 1HG GLU 40 -11.349 0.714 6.251 1028 H LEU 41 H LEU 41 -12.522 5.051 4.663 1029 HA LEU 41 HA LEU 41 -11.025 7.359 5.716 1030 HB2 LEU 41 2HB LEU 41 -11.549 6.597 2.840 1031 HB3 LEU 41 1HB LEU 41 -10.470 7.862 3.406 1032 HG LEU 41 HG LEU 41 -10.153 4.882 3.882 1033 HD11 LEU 41 1HD1 LEU 41 -8.400 4.977 2.322 1034 HD12 LEU 41 2HD1 LEU 41 -8.238 6.727 2.476 1035 HD13 LEU 41 3HD1 LEU 41 -9.609 6.044 1.608 1036 HD21 LEU 41 3HD2 LEU 41 -8.701 7.284 4.997 1037 HD22 LEU 41 1HD2 LEU 41 -7.820 5.787 4.707 1038 HD23 LEU 41 2HD2 LEU 41 -9.180 5.794 5.822 1039 H SER 42 H SER 42 -11.705 9.435 5.573 1040 HA SER 42 HA SER 42 -14.524 9.799 4.722 1041 HB2 SER 42 2HB SER 42 -12.957 10.815 7.026 1042 HB3 SER 42 1HB SER 42 -14.091 11.946 6.292 1043 HG SER 42 HG SER 42 -15.571 10.884 7.319 1044 H GLY 43 H GLY 43 -11.627 11.820 5.181 1045 HA2 GLY 43 2HA GLY 43 -12.369 13.871 3.456 1046 HA3 GLY 43 1HA GLY 43 -10.722 13.512 3.941 1047 H PHE 44 H PHE 44 -10.503 10.913 2.647 1048 HA PHE 44 HA PHE 44 -9.669 11.787 0.110 1049 HB2 PHE 44 2HB PHE 44 -10.196 9.015 1.175 1050 HB3 PHE 44 1HB PHE 44 -9.501 9.323 -0.416 1051 HD1 PHE 44 1HD PHE 44 -7.287 10.355 -0.656 1052 HD2 PHE 44 2HD PHE 44 -8.930 9.490 3.218 1053 HE1 PHE 44 1HE PHE 44 -5.052 10.674 0.368 1054 HE2 PHE 44 2HE PHE 44 -6.696 9.804 4.238 1055 HZ PHE 44 HZ PHE 44 -4.755 10.397 2.813 1056 H LEU 45 H LEU 45 -12.544 9.788 0.909 1057 HA LEU 45 HA LEU 45 -13.509 9.955 -1.806 1058 HB2 LEU 45 2HB LEU 45 -14.387 8.635 0.689 1059 HB3 LEU 45 1HB LEU 45 -15.714 9.202 -0.316 1060 HG LEU 45 HG LEU 45 -14.916 6.831 -0.782 1061 HD11 LEU 45 1HD1 LEU 45 -14.626 7.661 -3.404 1062 HD12 LEU 45 2HD1 LEU 45 -15.422 9.054 -2.662 1063 HD13 LEU 45 3HD1 LEU 45 -16.164 7.456 -2.568 1064 HD21 LEU 45 3HD2 LEU 45 -12.722 7.806 -2.506 1065 HD22 LEU 45 1HD2 LEU 45 -12.800 6.387 -1.466 1066 HD23 LEU 45 2HD2 LEU 45 -12.384 7.954 -0.778 1067 H ASP 46 H ASP 46 -14.238 11.574 1.216 1068 HA ASP 46 HA ASP 46 -16.457 13.027 0.339 1069 HB2 ASP 46 2HB ASP 46 -15.762 12.773 2.715 1070 HB3 ASP 46 1HB ASP 46 -14.429 13.885 2.411 1071 H ALA 47 H ALA 47 -13.021 13.655 -0.005 1072 HA ALA 47 HA ALA 47 -13.081 16.372 -0.621 1073 HB1 ALA 47 1HB ALA 47 -10.963 15.831 -1.931 1074 HB2 ALA 47 2HB ALA 47 -11.244 14.146 -1.492 1075 HB3 ALA 47 3HB ALA 47 -10.975 15.353 -0.233 1076 H GLN 48 H GLN 48 -13.738 13.588 -2.683 1077 HA GLN 48 HA GLN 48 -13.626 14.949 -5.156 1078 HB2 GLN 48 2HB GLN 48 -15.372 12.581 -4.428 1079 HB3 GLN 48 1HB GLN 48 -14.989 13.136 -6.059 1080 HG2 GLN 48 2HG GLN 48 -13.033 12.027 -4.020 1081 HG3 GLN 48 1HG GLN 48 -13.523 11.285 -5.534 1082 HE21 GLN 48 1HE2 GLN 48 -11.030 12.987 -4.172 1083 HE22 GLN 48 2HE2 GLN 48 -10.392 13.711 -5.573 1084 H LYS 49 H LYS 49 -16.107 14.646 -2.720 1085 HA LYS 49 HA LYS 49 -18.049 15.789 -2.342 1086 HB2 LYS 49 2HB LYS 49 -16.630 17.770 -2.858 1087 HB3 LYS 49 1HB LYS 49 -17.121 17.639 -4.547 1088 HG2 LYS 49 2HG LYS 49 -19.496 17.859 -3.857 1089 HG3 LYS 49 1HG LYS 49 -18.972 18.066 -2.184 1090 HD2 LYS 49 2HD LYS 49 -17.607 20.040 -2.915 1091 HD3 LYS 49 1HD LYS 49 -18.310 19.875 -4.524 1092 HE2 LYS 49 2HE LYS 49 -20.545 20.241 -3.641 1093 HE3 LYS 49 1HE LYS 49 -19.928 20.252 -1.988 1094 HZ1 LYS 49 3HZ LYS 49 -19.651 22.280 -4.090 1095 HZ2 LYS 49 1HZ LYS 49 -18.420 22.136 -2.933 1096 HZ3 LYS 49 2HZ LYS 49 -20.011 22.476 -2.441 1097 H ASP 50 H ASP 50 -17.288 14.925 -5.662 1098 HA ASP 50 HA ASP 50 -19.942 15.255 -6.665 1099 HB2 ASP 50 2HB ASP 50 -17.641 13.586 -7.686 1100 HB3 ASP 50 1HB ASP 50 -19.171 13.819 -8.536 1101 H VAL 51 H VAL 51 -21.572 13.805 -6.932 1102 HA VAL 51 HA VAL 51 -21.742 11.662 -5.033 1103 HB VAL 51 HB VAL 51 -23.973 11.341 -5.810 1104 HG11 VAL 51 1HG1 VAL 51 -23.140 13.691 -4.798 1105 HG12 VAL 51 2HG1 VAL 51 -24.824 13.389 -5.225 1106 HG13 VAL 51 3HG1 VAL 51 -23.778 14.270 -6.339 1107 HG21 VAL 51 3HG2 VAL 51 -24.778 12.505 -7.900 1108 HG22 VAL 51 1HG2 VAL 51 -23.623 11.208 -8.196 1109 HG23 VAL 51 2HG2 VAL 51 -23.099 12.888 -8.270 1110 H ASP 52 H ASP 52 -20.984 11.929 -8.423 1111 HA ASP 52 HA ASP 52 -21.132 9.052 -8.877 1112 HB2 ASP 52 2HB ASP 52 -20.305 11.359 -10.652 1113 HB3 ASP 52 1HB ASP 52 -20.313 9.672 -11.165 1114 H ALA 53 H ALA 53 -19.061 10.855 -7.218 1115 HA ALA 53 HA ALA 53 -16.523 10.446 -8.301 1116 HB1 ALA 53 1HB ALA 53 -17.256 10.371 -5.370 1117 HB2 ALA 53 2HB ALA 53 -17.071 11.852 -6.306 1118 HB3 ALA 53 3HB ALA 53 -15.688 10.782 -6.060 1119 H VAL 54 H VAL 54 -18.511 8.306 -6.272 1120 HA VAL 54 HA VAL 54 -16.558 6.315 -5.848 1121 HB VAL 54 HB VAL 54 -18.806 6.440 -4.711 1122 HG11 VAL 54 1HG1 VAL 54 -20.770 5.732 -5.838 1123 HG12 VAL 54 2HG1 VAL 54 -19.854 5.040 -7.177 1124 HG13 VAL 54 3HG1 VAL 54 -19.980 6.789 -7.007 1125 HG21 VAL 54 3HG2 VAL 54 -17.691 4.408 -4.341 1126 HG22 VAL 54 1HG2 VAL 54 -17.756 3.952 -6.044 1127 HG23 VAL 54 2HG2 VAL 54 -19.209 3.867 -5.057 1128 H ASP 55 H ASP 55 -18.939 6.795 -8.427 1129 HA ASP 55 HA ASP 55 -18.435 4.425 -9.853 1130 HB2 ASP 55 2HB ASP 55 -19.339 7.153 -10.755 1131 HB3 ASP 55 1HB ASP 55 -19.350 5.734 -11.798 1132 H LYS 56 H LYS 56 -17.009 7.667 -10.043 1133 HA LYS 56 HA LYS 56 -15.297 7.153 -12.229 1134 HB2 LYS 56 2HB LYS 56 -15.006 9.089 -9.923 1135 HB3 LYS 56 1HB LYS 56 -14.003 9.101 -11.373 1136 HG2 LYS 56 2HG LYS 56 -16.069 9.370 -12.750 1137 HG3 LYS 56 1HG LYS 56 -17.009 9.480 -11.262 1138 HD2 LYS 56 2HD LYS 56 -15.603 11.428 -10.571 1139 HD3 LYS 56 1HD LYS 56 -14.793 11.356 -12.135 1140 HE2 LYS 56 2HE LYS 56 -17.735 11.879 -11.635 1141 HE3 LYS 56 1HE LYS 56 -16.550 13.012 -12.287 1142 HZ1 LYS 56 3HZ LYS 56 -17.706 12.158 -14.124 1143 HZ2 LYS 56 1HZ LYS 56 -17.622 10.563 -13.555 1144 HZ3 LYS 56 2HZ LYS 56 -16.219 11.337 -14.119 1145 H VAL 57 H VAL 57 -14.877 6.740 -8.740 1146 HA VAL 57 HA VAL 57 -12.125 6.117 -8.826 1147 HB VAL 57 HB VAL 57 -14.260 5.469 -6.795 1148 HG11 VAL 57 1HG1 VAL 57 -12.572 3.865 -6.378 1149 HG12 VAL 57 2HG1 VAL 57 -12.165 5.201 -5.303 1150 HG13 VAL 57 3HG1 VAL 57 -11.280 4.984 -6.813 1151 HG21 VAL 57 3HG2 VAL 57 -13.524 7.895 -7.341 1152 HG22 VAL 57 1HG2 VAL 57 -11.991 7.453 -6.593 1153 HG23 VAL 57 2HG2 VAL 57 -13.480 7.394 -5.650 1154 H MET 58 H MET 58 -14.974 3.909 -8.682 1155 HA MET 58 HA MET 58 -13.276 1.620 -8.670 1156 HB2 MET 58 2HB MET 58 -15.120 0.351 -8.376 1157 HB3 MET 58 1HB MET 58 -15.805 1.901 -7.930 1158 HG2 MET 58 2HG MET 58 -17.387 1.042 -9.433 1159 HG3 MET 58 1HG MET 58 -16.415 2.083 -10.467 1160 HE1 MET 58 3HE MET 58 -16.863 -1.153 -8.862 1161 HE2 MET 58 1HE MET 58 -16.235 -2.414 -9.931 1162 HE3 MET 58 2HE MET 58 -17.795 -1.668 -10.267 1163 H LYS 59 H LYS 59 -14.853 3.296 -11.390 1164 HA LYS 59 HA LYS 59 -14.454 1.214 -13.247 1165 HB2 LYS 59 2HB LYS 59 -14.519 4.191 -13.767 1166 HB3 LYS 59 1HB LYS 59 -14.616 2.942 -15.009 1167 HG2 LYS 59 2HG LYS 59 -16.572 3.202 -12.731 1168 HG3 LYS 59 1HG LYS 59 -16.836 3.798 -14.368 1169 HD2 LYS 59 2HD LYS 59 -16.064 1.233 -14.909 1170 HD3 LYS 59 1HD LYS 59 -16.825 1.008 -13.332 1171 HE2 LYS 59 2HE LYS 59 -18.083 2.431 -15.667 1172 HE3 LYS 59 1HE LYS 59 -18.437 0.765 -15.205 1173 HZ1 LYS 59 3HZ LYS 59 -20.047 1.748 -13.996 1174 HZ2 LYS 59 1HZ LYS 59 -19.263 3.252 -13.952 1175 HZ3 LYS 59 2HZ LYS 59 -18.792 2.018 -12.882 1176 H GLU 60 H GLU 60 -12.264 3.820 -12.228 1177 HA GLU 60 HA GLU 60 -10.246 3.274 -14.149 1178 HB2 GLU 60 2HB GLU 60 -10.339 5.334 -12.756 1179 HB3 GLU 60 1HB GLU 60 -9.913 4.369 -11.346 1180 HG2 GLU 60 2HG GLU 60 -7.823 3.661 -12.498 1181 HG3 GLU 60 1HG GLU 60 -8.236 4.717 -13.843 1182 H LEU 61 H LEU 61 -10.869 2.089 -10.902 1183 HA LEU 61 HA LEU 61 -8.533 0.509 -10.699 1184 HB2 LEU 61 2HB LEU 61 -11.132 0.295 -9.192 1185 HB3 LEU 61 1HB LEU 61 -9.633 -0.501 -8.746 1186 HG LEU 61 HG LEU 61 -10.056 2.493 -8.905 1187 HD11 LEU 61 1HD1 LEU 61 -9.356 0.973 -6.420 1188 HD12 LEU 61 2HD1 LEU 61 -11.031 0.964 -6.973 1189 HD13 LEU 61 3HD1 LEU 61 -10.240 2.489 -6.590 1190 HD21 LEU 61 3HD2 LEU 61 -7.762 2.283 -7.585 1191 HD22 LEU 61 1HD2 LEU 61 -7.772 2.326 -9.339 1192 HD23 LEU 61 2HD2 LEU 61 -7.622 0.784 -8.478 1193 H ASP 62 H ASP 62 -11.740 -0.202 -11.948 1194 HA ASP 62 HA ASP 62 -11.283 -3.018 -11.914 1195 HB2 ASP 62 2HB ASP 62 -13.547 -1.953 -12.012 1196 HB3 ASP 62 1HB ASP 62 -13.205 -1.509 -13.685 1197 H GLU 63 H GLU 63 -9.221 -3.207 -12.812 1198 HA GLU 63 HA GLU 63 -8.448 -2.416 -15.417 1199 HB2 GLU 63 2HB GLU 63 -6.842 -3.144 -13.753 1200 HB3 GLU 63 1HB GLU 63 -7.640 -4.716 -13.628 1201 HG2 GLU 63 2HG GLU 63 -7.113 -5.199 -15.955 1202 HG3 GLU 63 1HG GLU 63 -6.285 -3.631 -16.118 1203 H ASN 64 H ASN 64 -9.711 -5.337 -14.080 1204 HA ASN 64 HA ASN 64 -9.761 -6.997 -16.299 1205 HB2 ASN 64 2HB ASN 64 -11.482 -6.735 -13.894 1206 HB3 ASN 64 1HB ASN 64 -11.470 -8.177 -14.906 1207 HD21 ASN 64 1HD2 ASN 64 -8.752 -8.588 -15.315 1208 HD22 ASN 64 2HD2 ASN 64 -7.949 -8.768 -13.830 1209 H GLY 65 H GLY 65 -12.065 -4.595 -15.134 1210 HA2 GLY 65 2HA GLY 65 -13.778 -3.517 -16.290 1211 HA3 GLY 65 1HA GLY 65 -13.419 -4.523 -17.700 1212 H ASP 66 H ASP 66 -13.671 -6.096 -14.683 1213 HA ASP 66 HA ASP 66 -15.996 -7.573 -15.583 1214 HB2 ASP 66 2HB ASP 66 -15.497 -9.018 -13.648 1215 HB3 ASP 66 1HB ASP 66 -14.071 -8.758 -14.648 1216 H GLY 67 H GLY 67 -15.745 -4.716 -14.016 1217 HA2 GLY 67 2HA GLY 67 -17.486 -3.481 -13.067 1218 HA3 GLY 67 1HA GLY 67 -18.423 -4.965 -12.916 1219 H GLU 68 H GLU 68 -15.483 -5.717 -11.759 1220 HA GLU 68 HA GLU 68 -16.145 -4.940 -8.972 1221 HB2 GLU 68 2HB GLU 68 -14.928 -7.498 -9.987 1222 HB3 GLU 68 1HB GLU 68 -14.965 -7.037 -8.294 1223 HG2 GLU 68 2HG GLU 68 -16.831 -8.411 -8.478 1224 HG3 GLU 68 1HG GLU 68 -17.533 -6.801 -8.685 1225 H VAL 69 H VAL 69 -14.436 -4.717 -7.559 1226 HA VAL 69 HA VAL 69 -11.868 -3.933 -8.766 1227 HB VAL 69 HB VAL 69 -13.022 -3.173 -6.069 1228 HG11 VAL 69 1HG1 VAL 69 -11.278 -1.357 -6.251 1229 HG12 VAL 69 2HG1 VAL 69 -10.630 -2.227 -7.639 1230 HG13 VAL 69 3HG1 VAL 69 -10.640 -2.988 -6.046 1231 HG21 VAL 69 3HG2 VAL 69 -13.427 -0.946 -7.097 1232 HG22 VAL 69 1HG2 VAL 69 -14.416 -2.220 -7.806 1233 HG23 VAL 69 2HG2 VAL 69 -12.993 -1.625 -8.667 1234 H ASP 70 H ASP 70 -10.112 -5.165 -8.171 1235 HA ASP 70 HA ASP 70 -10.631 -7.378 -6.311 1236 HB2 ASP 70 2HB ASP 70 -9.799 -7.845 -8.627 1237 HB3 ASP 70 1HB ASP 70 -8.287 -7.062 -8.181 1238 H PHE 71 H PHE 71 -8.961 -8.078 -4.854 1239 HA PHE 71 HA PHE 71 -8.213 -6.206 -2.969 1240 HB2 PHE 71 2HB PHE 71 -8.216 -8.782 -2.907 1241 HB3 PHE 71 1HB PHE 71 -6.620 -8.689 -3.628 1242 HD1 PHE 71 1HD PHE 71 -6.375 -5.878 -1.703 1243 HD2 PHE 71 2HD PHE 71 -6.922 -10.102 -1.184 1244 HE1 PHE 71 1HE PHE 71 -5.365 -5.730 0.550 1245 HE2 PHE 71 2HE PHE 71 -5.924 -9.936 1.066 1246 HZ PHE 71 HZ PHE 71 -5.152 -7.760 1.927 1247 H GLN 72 H GLN 72 -6.276 -7.460 -5.720 1248 HA GLN 72 HA GLN 72 -3.925 -5.993 -5.100 1249 HB2 GLN 72 2HB GLN 72 -4.998 -6.967 -7.765 1250 HB3 GLN 72 1HB GLN 72 -3.374 -6.323 -7.516 1251 HG2 GLN 72 2HG GLN 72 -2.906 -8.084 -5.883 1252 HG3 GLN 72 1HG GLN 72 -4.530 -8.721 -6.059 1253 HE21 GLN 72 1HE2 GLN 72 -2.314 -10.367 -6.565 1254 HE22 GLN 72 2HE2 GLN 72 -2.232 -10.693 -8.225 1255 H GLU 73 H GLU 73 -6.808 -5.184 -7.032 1256 HA GLU 73 HA GLU 73 -5.876 -2.711 -8.043 1257 HB2 GLU 73 2HB GLU 73 -8.682 -3.652 -7.437 1258 HB3 GLU 73 1HB GLU 73 -8.289 -2.232 -8.391 1259 HG2 GLU 73 2HG GLU 73 -7.063 -3.709 -10.000 1260 HG3 GLU 73 1HG GLU 73 -7.591 -5.107 -9.066 1261 H TYR 74 H TYR 74 -7.690 -3.620 -5.164 1262 HA TYR 74 HA TYR 74 -8.181 -1.054 -4.072 1263 HB2 TYR 74 2HB TYR 74 -9.325 -3.167 -3.417 1264 HB3 TYR 74 1HB TYR 74 -7.831 -3.711 -2.659 1265 HD1 TYR 74 1HD TYR 74 -10.606 -1.295 -2.497 1266 HD2 TYR 74 2HD TYR 74 -7.056 -2.747 -0.565 1267 HE1 TYR 74 1HE TYR 74 -11.240 -0.093 -0.425 1268 HE2 TYR 74 2HE TYR 74 -7.689 -1.536 1.505 1269 HH TYR 74 HH TYR 74 -10.273 0.765 1.564 1270 H VAL 75 H VAL 75 -5.635 -3.390 -3.733 1271 HA VAL 75 HA VAL 75 -4.180 -2.155 -1.675 1272 HB VAL 75 HB VAL 75 -3.894 -4.529 -3.225 1273 HG11 VAL 75 1HG1 VAL 75 -1.439 -4.545 -3.662 1274 HG12 VAL 75 2HG1 VAL 75 -1.435 -2.804 -3.465 1275 HG13 VAL 75 3HG1 VAL 75 -2.356 -3.531 -4.769 1276 HG21 VAL 75 3HG2 VAL 75 -3.612 -4.609 -0.882 1277 HG22 VAL 75 1HG2 VAL 75 -2.349 -3.371 -0.906 1278 HG23 VAL 75 2HG2 VAL 75 -2.023 -4.975 -1.554 1279 H VAL 76 H VAL 76 -3.824 -1.895 -5.241 1280 HA VAL 76 HA VAL 76 -1.711 0.017 -4.930 1281 HB VAL 76 HB VAL 76 -1.939 0.514 -7.279 1282 HG11 VAL 76 1HG1 VAL 76 -2.546 -2.427 -7.093 1283 HG12 VAL 76 2HG1 VAL 76 -1.074 -1.783 -6.364 1284 HG13 VAL 76 3HG1 VAL 76 -1.354 -1.602 -8.096 1285 HG21 VAL 76 3HG2 VAL 76 -3.762 -0.275 -8.632 1286 HG22 VAL 76 1HG2 VAL 76 -4.478 0.555 -7.252 1287 HG23 VAL 76 2HG2 VAL 76 -4.415 -1.200 -7.292 1288 H LEU 77 H LEU 77 -5.263 0.256 -5.048 1289 HA LEU 77 HA LEU 77 -5.430 3.043 -5.399 1290 HB2 LEU 77 2HB LEU 77 -7.435 1.709 -5.424 1291 HB3 LEU 77 1HB LEU 77 -7.168 1.179 -3.772 1292 HG LEU 77 HG LEU 77 -7.425 3.552 -3.005 1293 HD11 LEU 77 1HD1 LEU 77 -6.835 4.788 -4.989 1294 HD12 LEU 77 2HD1 LEU 77 -8.518 5.138 -4.617 1295 HD13 LEU 77 3HD1 LEU 77 -8.119 4.022 -5.912 1296 HD21 LEU 77 3HD2 LEU 77 -9.942 3.642 -3.730 1297 HD22 LEU 77 1HD2 LEU 77 -9.362 2.326 -2.707 1298 HD23 LEU 77 2HD2 LEU 77 -9.592 2.064 -4.436 1299 H VAL 78 H VAL 78 -5.254 1.249 -2.273 1300 HA VAL 78 HA VAL 78 -5.134 3.709 -0.819 1301 HB VAL 78 HB VAL 78 -4.521 2.404 1.162 1302 HG11 VAL 78 1HG1 VAL 78 -6.575 0.667 0.761 1303 HG12 VAL 78 2HG1 VAL 78 -6.862 1.806 -0.557 1304 HG13 VAL 78 3HG1 VAL 78 -6.786 2.383 1.114 1305 HG21 VAL 78 3HG2 VAL 78 -3.109 0.701 -0.078 1306 HG22 VAL 78 1HG2 VAL 78 -4.610 -0.069 -0.592 1307 HG23 VAL 78 2HG2 VAL 78 -4.210 0.031 1.118 1308 H ALA 79 H ALA 79 -2.638 1.553 -2.112 1309 HA ALA 79 HA ALA 79 -0.511 2.833 -0.669 1310 HB1 ALA 79 1HB ALA 79 -0.619 0.576 -2.060 1311 HB2 ALA 79 2HB ALA 79 0.888 1.432 -1.791 1312 HB3 ALA 79 3HB ALA 79 0.032 1.609 -3.326 1313 H ALA 80 H ALA 80 -1.743 3.254 -3.977 1314 HA ALA 80 HA ALA 80 0.066 5.289 -4.728 1315 HB1 ALA 80 1HB ALA 80 -1.736 5.830 -6.444 1316 HB2 ALA 80 2HB ALA 80 -2.687 4.534 -5.718 1317 HB3 ALA 80 3HB ALA 80 -1.127 4.174 -6.460 1318 H LEU 81 H LEU 81 -3.142 5.319 -3.180 1319 HA LEU 81 HA LEU 81 -3.303 8.174 -3.126 1320 HB2 LEU 81 2HB LEU 81 -4.779 5.957 -1.804 1321 HB3 LEU 81 1HB LEU 81 -4.868 7.554 -1.062 1322 HG LEU 81 HG LEU 81 -5.807 8.538 -3.026 1323 HD11 LEU 81 1HD1 LEU 81 -6.208 6.946 -5.079 1324 HD12 LEU 81 2HD1 LEU 81 -4.828 6.073 -4.427 1325 HD13 LEU 81 3HD1 LEU 81 -4.662 7.759 -4.895 1326 HD21 LEU 81 3HD2 LEU 81 -7.863 7.355 -3.311 1327 HD22 LEU 81 1HD2 LEU 81 -7.331 7.004 -1.667 1328 HD23 LEU 81 2HD2 LEU 81 -7.111 5.806 -2.944 1329 H THR 82 H THR 82 -1.793 5.770 -1.015 1330 HA THR 82 HA THR 82 -1.341 7.494 1.186 1331 HB THR 82 HB THR 82 0.432 5.240 0.221 1332 HG1 THR 82 1HG THR 82 -0.924 3.904 1.208 1333 HG21 THR 82 3HG2 THR 82 1.556 6.432 1.925 1334 HG22 THR 82 1HG2 THR 82 0.784 5.080 2.754 1335 HG23 THR 82 2HG2 THR 82 0.066 6.687 2.836 1336 H VAL 83 H VAL 83 0.791 6.668 -1.576 1337 HA VAL 83 HA VAL 83 2.822 8.522 -0.789 1338 HB VAL 83 HB VAL 83 3.326 6.696 -2.379 1339 HG11 VAL 83 1HG1 VAL 83 1.955 8.360 -4.499 1340 HG12 VAL 83 2HG1 VAL 83 1.168 7.000 -3.716 1341 HG13 VAL 83 3HG1 VAL 83 2.616 6.734 -4.647 1342 HG21 VAL 83 3HG2 VAL 83 4.498 9.061 -2.243 1343 HG22 VAL 83 1HG2 VAL 83 3.831 9.255 -3.867 1344 HG23 VAL 83 2HG2 VAL 83 4.939 7.927 -3.517 1345 H ALA 84 H ALA 84 -0.017 8.837 -2.862 1346 HA ALA 84 HA ALA 84 0.579 11.437 -3.831 1347 HB1 ALA 84 1HB ALA 84 -1.139 9.837 -4.760 1348 HB2 ALA 84 2HB ALA 84 -1.701 11.497 -4.555 1349 HB3 ALA 84 3HB ALA 84 -2.167 10.257 -3.389 1350 H CYS 85 H CHC 85 -0.845 10.186 -0.914 1351 HA CYS 85 HA CHC 85 -1.979 12.611 0.042 1352 HB2 CYS 85 2HB CHC 85 -2.563 10.308 0.867 1353 HB3 CYS 85 1HB CHC 85 -0.997 10.258 1.673 1354 H ASN 86 H ASN 86 1.037 10.862 0.934 1355 HA ASN 86 HA ASN 86 2.002 12.897 2.626 1356 HB2 ASN 86 2HB ASN 86 3.015 10.614 2.395 1357 HB3 ASN 86 1HB ASN 86 3.692 11.126 0.848 1358 HD21 ASN 86 1HD2 ASN 86 3.648 12.082 4.323 1359 HD22 ASN 86 2HD2 ASN 86 5.207 12.755 4.307 1360 H ASN 87 H ASN 87 2.314 12.419 -0.883 1361 HA ASN 87 HA ASN 87 4.008 14.617 -1.406 1362 HB2 ASN 87 2HB ASN 87 3.263 12.770 -3.044 1363 HB3 ASN 87 1HB ASN 87 1.807 13.744 -3.260 1364 HD21 ASN 87 1HD2 ASN 87 2.673 13.946 -5.571 1365 HD22 ASN 87 2HD2 ASN 87 3.802 15.176 -5.879 1366 H PHE 88 H PHE 88 0.513 14.316 -1.032 1367 HA PHE 88 HA PHE 88 -0.177 16.911 -1.876 1368 HB2 PHE 88 2HB PHE 88 -1.807 15.064 -1.540 1369 HB3 PHE 88 1HB PHE 88 -1.584 15.220 0.201 1370 HD1 PHE 88 1HD PHE 88 -2.810 16.929 -2.848 1371 HD2 PHE 88 2HD PHE 88 -2.541 17.047 1.437 1372 HE1 PHE 88 1HE PHE 88 -4.466 18.774 -2.795 1373 HE2 PHE 88 2HE PHE 88 -4.197 18.892 1.491 1374 HZ PHE 88 HZ PHE 88 -5.160 19.756 -0.626 1375 H PHE 89 H PHE 89 0.597 15.636 1.370 1376 HA PHE 89 HA PHE 89 0.145 18.093 2.715 1377 HB2 PHE 89 2HB PHE 89 0.239 15.887 3.839 1378 HB3 PHE 89 1HB PHE 89 1.974 15.829 3.530 1379 HD1 PHE 89 1HD PHE 89 -0.712 17.627 5.343 1380 HD2 PHE 89 2HD PHE 89 3.524 17.163 4.801 1381 HE1 PHE 89 1HE PHE 89 -0.304 18.986 7.377 1382 HE2 PHE 89 2HE PHE 89 3.933 18.521 6.836 1383 HZ PHE 89 HZ PHE 89 2.019 19.433 8.124 1384 H TRP 90 H TRP 90 3.250 16.551 1.768 1385 HA TRP 90 HA TRP 90 4.856 18.764 2.536 1386 HB2 TRP 90 2HB TRP 90 5.771 16.510 2.218 1387 HB3 TRP 90 1HB TRP 90 5.483 16.659 0.479 1388 HD1 TRP 90 HD TRP 90 6.701 18.695 -0.760 1389 HE1 TRP 90 1HE TRP 90 9.001 19.775 -0.340 1390 HE3 TRP 90 3HE TRP 90 7.529 17.096 3.997 1391 HZ2 TRP 90 2HZ TRP 90 10.948 19.930 1.764 1392 HZ3 TRP 90 3HZ TRP 90 9.607 17.718 5.195 1393 HH2 TRP 90 HH TRP 90 11.317 19.134 4.086 1394 H GLU 91 H GLU 91 3.435 17.862 -0.523 1395 HA GLU 91 HA GLU 91 4.519 20.259 -1.811 1396 HB2 GLU 91 2HB GLU 91 4.261 17.650 -2.640 1397 HB3 GLU 91 1HB GLU 91 2.853 18.386 -3.399 1398 HG2 GLU 91 2HG GLU 91 5.687 19.462 -3.609 1399 HG3 GLU 91 1HG GLU 91 4.916 18.454 -4.830 1400 H ASN 92 H ASN 92 3.205 21.854 -2.709 1401 HA ASN 92 HA ASN 92 0.829 22.513 -1.409 1402 HB2 ASN 92 2HB ASN 92 1.817 23.363 -4.138 1403 HB3 ASN 92 1HB ASN 92 0.481 24.125 -3.277 1404 HD21 ASN 92 1HD2 ASN 92 2.837 25.607 -3.930 1405 HD22 ASN 92 2HD2 ASN 92 3.652 25.979 -2.488 1406 H SER 93 H SER 93 1.348 20.627 -4.335 1407 HA SER 93 HA SER 93 -1.434 19.726 -4.204 1408 HB2 SER 93 2HB SER 93 -1.797 20.107 -6.594 1409 HB3 SER 93 1HB SER 93 -1.429 21.631 -5.790 1410 HG SER 93 HG SER 93 0.480 19.986 -7.100 1411 H1 HCS 201 1HT CHC 85 4.735 -12.952 9.004 1412 H2 HCS 201 2HT CHC 85 4.350 -14.423 9.764 1413 H HCS 201 3HT CHC 85 3.251 -13.127 9.810 1414 HCA HCS 201 HH CHC 85 2.264 -14.063 8.068 1415 HB2 HCS 201 1HZ CHC 85 4.857 -13.207 6.746 1416 HB3 HCS 201 2HZ CHC 85 3.422 -12.206 6.971 1417 HG2 HCS 201 1HE CHC 85 2.173 -14.056 5.661 1418 HG3 HCS 201 2HE CHC 85 3.776 -14.609 5.177 1419 H1 HCS 201 1HT CHC 85 -6.713 13.752 6.086 1420 H2 HCS 201 2HT CHC 85 -6.517 15.299 6.763 1421 H HCS 201 3HT CHC 85 -5.486 14.030 7.223 1422 HCA HCS 201 HH CHC 85 -4.071 14.793 5.707 1423 HB2 HCS 201 1HZ CHC 85 -6.248 13.769 3.858 1424 HB3 HCS 201 2HZ CHC 85 -4.933 12.817 4.549 1425 HG2 HCS 201 1HE CHC 85 -3.363 14.537 3.419 1426 HG3 HCS 201 2HE CHC 85 -4.782 15.015 2.485 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -12.643 3.231 12.347 2 HA2 GLY 1 2HA GLY 1 -12.445 3.301 10.013 3 HA3 GLY 1 1HA GLY 1 -13.095 4.938 10.034 4 H SER 2 H SER 2 -10.971 5.234 12.329 5 HA SER 2 HA SER 2 -9.044 6.608 10.763 6 HB2 SER 2 2HB SER 2 -7.920 7.033 12.854 7 HB3 SER 2 1HB SER 2 -9.655 7.177 13.119 8 HG SER 2 HG SER 2 -9.541 5.556 14.444 9 H GLU 3 H GLU 3 -9.334 3.297 11.695 10 HA GLU 3 HA GLU 3 -6.658 2.554 11.961 11 HB2 GLU 3 2HB GLU 3 -8.998 0.988 10.892 12 HB3 GLU 3 1HB GLU 3 -7.434 0.281 11.299 13 HG2 GLU 3 2HG GLU 3 -7.664 1.144 13.608 14 HG3 GLU 3 1HG GLU 3 -9.255 1.787 13.198 15 H LEU 4 H LEU 4 -8.575 2.775 8.909 16 HA LEU 4 HA LEU 4 -6.511 1.599 7.347 17 HB2 LEU 4 2HB LEU 4 -8.975 2.189 6.731 18 HB3 LEU 4 1HB LEU 4 -8.317 3.771 6.315 19 HG LEU 4 HG LEU 4 -7.468 1.089 5.182 20 HD11 LEU 4 1HD1 LEU 4 -8.533 3.363 3.551 21 HD12 LEU 4 2HD1 LEU 4 -9.654 2.327 4.435 22 HD13 LEU 4 3HD1 LEU 4 -8.574 1.631 3.230 23 HD21 LEU 4 3HD2 LEU 4 -6.279 3.829 4.894 24 HD22 LEU 4 1HD2 LEU 4 -6.181 2.672 3.568 25 HD23 LEU 4 2HD2 LEU 4 -5.485 2.267 5.131 26 H GLU 5 H GLU 5 -7.252 4.943 8.311 27 HA GLU 5 HA GLU 5 -5.066 6.129 6.934 28 HB2 GLU 5 2HB GLU 5 -6.721 7.095 9.269 29 HB3 GLU 5 1HB GLU 5 -5.425 8.051 8.552 30 HG2 GLU 5 2HG GLU 5 -7.828 6.975 7.046 31 HG3 GLU 5 1HG GLU 5 -7.645 8.636 7.599 32 H THR 6 H THR 6 -5.424 4.736 10.168 33 HA THR 6 HA THR 6 -2.983 5.671 11.215 34 HB THR 6 HB THR 6 -4.286 2.986 11.747 35 HG1 THR 6 1HG THR 6 -5.004 5.554 12.338 36 HG21 THR 6 3HG2 THR 6 -3.193 3.348 13.998 37 HG22 THR 6 1HG2 THR 6 -2.329 4.709 13.284 38 HG23 THR 6 2HG2 THR 6 -2.065 3.077 12.670 39 H ALA 7 H ALA 7 -3.824 2.853 9.265 40 HA ALA 7 HA ALA 7 -1.230 1.692 9.217 41 HB1 ALA 7 1HB ALA 7 -3.543 0.741 8.429 42 HB2 ALA 7 2HB ALA 7 -2.070 0.245 7.598 43 HB3 ALA 7 3HB ALA 7 -3.110 1.479 6.889 44 H MET 8 H MET 8 -2.904 3.921 7.001 45 HA MET 8 HA MET 8 -0.848 4.141 5.073 46 HB2 MET 8 2HB MET 8 -2.995 6.077 5.985 47 HB3 MET 8 1HB MET 8 -1.983 6.342 4.565 48 HG2 MET 8 2HG MET 8 -2.788 4.266 3.553 49 HG3 MET 8 1HG MET 8 -3.728 3.892 4.979 50 HE1 MET 8 3HE MET 8 -3.211 5.895 1.878 51 HE2 MET 8 1HE MET 8 -3.226 7.323 2.924 52 HE3 MET 8 2HE MET 8 -4.534 7.051 1.780 53 H GLU 9 H GLU 9 -1.446 5.933 8.079 54 HA GLU 9 HA GLU 9 0.690 7.770 7.762 55 HB2 GLU 9 2HB GLU 9 -0.723 6.780 10.246 56 HB3 GLU 9 1HB GLU 9 0.485 8.066 10.246 57 HG2 GLU 9 2HG GLU 9 -0.900 9.346 8.639 58 HG3 GLU 9 1HG GLU 9 -2.121 8.083 8.695 59 H THR 10 H THR 10 0.445 4.493 9.122 60 HA THR 10 HA THR 10 3.036 4.495 10.275 61 HB THR 10 HB THR 10 1.497 2.167 9.142 62 HG1 THR 10 1HG THR 10 0.497 3.547 10.817 63 HG21 THR 10 3HG2 THR 10 3.909 1.742 9.581 64 HG22 THR 10 1HG2 THR 10 2.864 0.837 10.680 65 HG23 THR 10 2HG2 THR 10 3.677 2.295 11.242 66 H LEU 11 H LEU 11 1.823 3.617 7.025 67 HA LEU 11 HA LEU 11 4.277 2.642 6.023 68 HB2 LEU 11 2HB LEU 11 2.218 4.225 4.462 69 HB3 LEU 11 1HB LEU 11 3.416 3.122 3.797 70 HG LEU 11 HG LEU 11 1.031 2.419 5.515 71 HD11 LEU 11 1HD1 LEU 11 0.477 2.772 3.194 72 HD12 LEU 11 2HD1 LEU 11 0.450 1.039 3.517 73 HD13 LEU 11 3HD1 LEU 11 1.825 1.759 2.678 74 HD21 LEU 11 3HD2 LEU 11 1.863 0.020 4.969 75 HD22 LEU 11 1HD2 LEU 11 2.621 0.892 6.301 76 HD23 LEU 11 2HD2 LEU 11 3.431 0.782 4.727 77 H ILE 12 H ILE 12 2.848 5.864 6.178 78 HA ILE 12 HA ILE 12 4.942 7.236 4.856 79 HB ILE 12 HB ILE 12 2.994 8.221 6.945 80 HG12 ILE 12 2HG1 ILE 12 2.983 8.568 3.937 81 HG13 ILE 12 1HG1 ILE 12 2.070 7.318 4.753 82 HG21 ILE 12 1HG2 ILE 12 4.846 9.743 6.896 83 HG22 ILE 12 2HG2 ILE 12 3.567 10.468 5.921 84 HG23 ILE 12 3HG2 ILE 12 4.934 9.677 5.135 85 HD11 ILE 12 3HD1 ILE 12 0.912 9.603 4.185 86 HD12 ILE 12 1HD1 ILE 12 1.781 10.185 5.608 87 HD13 ILE 12 2HD1 ILE 12 0.624 8.863 5.760 88 H ASN 13 H ASN 13 4.428 6.587 8.313 89 HA ASN 13 HA ASN 13 6.626 8.047 9.263 90 HB2 ASN 13 2HB ASN 13 5.255 5.611 10.398 91 HB3 ASN 13 1HB ASN 13 6.428 6.590 11.277 92 HD21 ASN 13 1HD2 ASN 13 3.725 6.350 12.189 93 HD22 ASN 13 2HD2 ASN 13 2.969 7.860 12.019 94 H VAL 14 H VAL 14 6.451 4.617 8.223 95 HA VAL 14 HA VAL 14 9.174 4.191 9.005 96 HB VAL 14 HB VAL 14 9.039 2.010 7.964 97 HG11 VAL 14 1HG1 VAL 14 6.377 2.624 9.275 98 HG12 VAL 14 2HG1 VAL 14 7.890 2.472 10.167 99 HG13 VAL 14 3HG1 VAL 14 7.246 1.088 9.283 100 HG21 VAL 14 3HG2 VAL 14 6.308 2.790 6.951 101 HG22 VAL 14 1HG2 VAL 14 7.157 1.280 6.665 102 HG23 VAL 14 2HG2 VAL 14 7.744 2.771 5.929 103 H PHE 15 H PHE 15 7.571 5.061 5.931 104 HA PHE 15 HA PHE 15 9.908 4.873 4.355 105 HB2 PHE 15 2HB PHE 15 7.731 5.134 3.273 106 HB3 PHE 15 1HB PHE 15 7.596 6.766 3.943 107 HD1 PHE 15 1HD PHE 15 9.782 4.613 1.783 108 HD2 PHE 15 2HD PHE 15 8.630 8.599 2.899 109 HE1 PHE 15 1HE PHE 15 11.224 5.539 -0.020 110 HE2 PHE 15 2HE PHE 15 10.038 9.515 1.081 111 HZ PHE 15 HZ PHE 15 11.335 7.988 -0.378 112 H HIS 16 H HIS 16 8.567 7.458 6.294 113 HA HIS 16 HA HIS 16 10.624 9.297 5.628 114 HB2 HIS 16 2HB HIS 16 8.436 10.041 6.563 115 HB3 HIS 16 1HB HIS 16 8.859 9.261 8.086 116 HD1 HIS 16 1HD HIS 16 10.587 10.420 9.588 117 HD2 HIS 16 2HD HIS 16 9.990 12.390 5.964 118 HE1 HIS 16 1HE HIS 16 11.752 12.660 9.790 119 HE2 HIS 16 2HE HIS 16 11.396 13.873 7.588 120 H ALA 17 H ALA 17 10.238 6.787 8.004 121 HA ALA 17 HA ALA 17 12.343 7.559 9.669 122 HB1 ALA 17 1HB ALA 17 12.370 5.316 10.477 123 HB2 ALA 17 2HB ALA 17 11.680 4.685 8.977 124 HB3 ALA 17 3HB ALA 17 10.695 5.673 10.070 125 H HIS 18 H HIS 18 12.448 5.328 6.790 126 HA HIS 18 HA HIS 18 15.368 5.378 7.153 127 HB2 HIS 18 2HB HIS 18 15.570 3.893 5.209 128 HB3 HIS 18 1HB HIS 18 14.520 3.256 6.464 129 HD1 HIS 18 1HD HIS 18 14.036 2.004 3.824 130 HD2 HIS 18 2HD HIS 18 12.228 5.516 4.974 131 HE1 HIS 18 1HE HIS 18 11.942 2.233 2.403 132 HE2 HIS 18 2HE HIS 18 10.914 4.456 2.998 133 H SER 19 H SER 19 13.181 6.689 4.539 134 HA SER 19 HA SER 19 15.351 7.721 3.064 135 HB2 SER 19 2HB SER 19 13.040 7.607 2.169 136 HB3 SER 19 1HB SER 19 12.591 8.930 3.236 137 HG SER 19 HG SER 19 13.647 9.112 0.829 138 H GLY 20 H GLY 20 13.441 9.035 5.732 139 HA2 GLY 20 2HA GLY 20 14.696 11.595 5.836 140 HA3 GLY 20 1HA GLY 20 13.703 10.884 7.075 141 H LYS 21 H LYS 21 15.196 8.567 7.639 142 HA LYS 21 HA LYS 21 17.103 9.590 9.438 143 HB2 LYS 21 2HB LYS 21 16.074 7.410 9.710 144 HB3 LYS 21 1HB LYS 21 16.918 6.802 8.285 145 HG2 LYS 21 2HG LYS 21 19.068 7.251 9.456 146 HG3 LYS 21 1HG LYS 21 18.160 7.800 10.862 147 HD2 LYS 21 2HD LYS 21 18.728 5.471 11.205 148 HD3 LYS 21 1HD LYS 21 16.999 5.577 10.914 149 HE2 LYS 21 2HE LYS 21 18.576 5.260 8.444 150 HE3 LYS 21 1HE LYS 21 18.736 3.903 9.561 151 HZ1 LYS 21 3HZ LYS 21 16.774 4.018 7.865 152 HZ2 LYS 21 1HZ LYS 21 16.064 4.993 9.056 153 HZ3 LYS 21 2HZ LYS 21 16.533 3.403 9.430 154 H GLU 22 H GLU 22 17.583 8.209 6.153 155 HA GLU 22 HA GLU 22 20.303 9.401 6.258 156 HB2 GLU 22 2HB GLU 22 19.562 6.745 5.094 157 HB3 GLU 22 1HB GLU 22 21.117 7.529 4.843 158 HG2 GLU 22 2HG GLU 22 21.435 7.585 7.309 159 HG3 GLU 22 1HG GLU 22 19.923 6.716 7.490 160 H GLY 23 H GLY 23 21.197 10.144 4.319 161 HA2 GLY 23 2HA GLY 23 21.179 11.225 2.295 162 HA3 GLY 23 1HA GLY 23 20.129 9.920 1.762 163 H ASP 24 H ASP 24 18.891 11.243 0.449 164 HA ASP 24 HA ASP 24 17.627 13.634 1.383 165 HB2 ASP 24 2HB ASP 24 17.055 11.861 -0.996 166 HB3 ASP 24 1HB ASP 24 16.256 13.400 -0.697 167 H LYS 25 H LYS 25 15.619 13.929 2.208 168 HA LYS 25 HA LYS 25 14.467 11.867 3.689 169 HB2 LYS 25 2HB LYS 25 13.170 14.455 2.836 170 HB3 LYS 25 1HB LYS 25 12.637 13.402 4.156 171 HG2 LYS 25 2HG LYS 25 14.929 13.712 5.230 172 HG3 LYS 25 1HG LYS 25 15.270 14.943 4.019 173 HD2 LYS 25 2HD LYS 25 12.901 15.015 5.914 174 HD3 LYS 25 1HD LYS 25 14.408 15.893 6.164 175 HE2 LYS 25 2HE LYS 25 13.909 16.773 3.706 176 HE3 LYS 25 1HE LYS 25 12.248 16.371 4.146 177 HZ1 LYS 25 3HZ LYS 25 13.939 17.931 5.985 178 HZ2 LYS 25 1HZ LYS 25 12.248 17.877 5.873 179 HZ3 LYS 25 2HZ LYS 25 13.150 18.698 4.690 180 H TYR 26 H TYR 26 13.757 12.966 0.449 181 HA TYR 26 HA TYR 26 11.444 11.141 0.353 182 HB2 TYR 26 2HB TYR 26 12.230 13.413 -1.471 183 HB3 TYR 26 1HB TYR 26 10.810 12.386 -1.685 184 HD1 TYR 26 2HD TYR 26 9.043 12.322 0.097 185 HD2 TYR 26 1HD TYR 26 12.247 15.182 0.141 186 HE1 TYR 26 2HE TYR 26 7.777 13.713 1.711 187 HE2 TYR 26 1HE TYR 26 10.981 16.574 1.758 188 HH TYR 26 HH TYR 26 8.457 15.479 3.532 189 H LYS 27 H LYS 27 14.456 10.390 -0.033 190 HA LYS 27 HA LYS 27 13.859 8.832 -2.478 191 HB2 LYS 27 2HB LYS 27 15.374 10.889 -3.022 192 HB3 LYS 27 1HB LYS 27 16.616 9.993 -2.168 193 HG2 LYS 27 2HG LYS 27 16.894 9.403 -4.440 194 HG3 LYS 27 1HG LYS 27 16.048 8.034 -3.717 195 HD2 LYS 27 2HD LYS 27 13.954 8.671 -4.663 196 HD3 LYS 27 1HD LYS 27 14.505 10.293 -5.025 197 HE2 LYS 27 2HE LYS 27 16.270 8.815 -6.496 198 HE3 LYS 27 1HE LYS 27 14.832 7.791 -6.556 199 HZ1 LYS 27 3HZ LYS 27 13.571 9.525 -7.468 200 HZ2 LYS 27 1HZ LYS 27 15.031 9.535 -8.332 201 HZ3 LYS 27 2HZ LYS 27 14.753 10.694 -7.120 202 H LEU 28 H LEU 28 14.574 6.740 -2.366 203 HA LEU 28 HA LEU 28 15.982 6.050 0.127 204 HB2 LEU 28 2HB LEU 28 13.585 5.317 -0.286 205 HB3 LEU 28 1HB LEU 28 14.228 4.292 -1.519 206 HG LEU 28 HG LEU 28 15.687 3.174 0.158 207 HD11 LEU 28 1HD1 LEU 28 13.952 4.655 2.182 208 HD12 LEU 28 2HD1 LEU 28 15.683 4.882 1.987 209 HD13 LEU 28 3HD1 LEU 28 15.072 3.349 2.527 210 HD21 LEU 28 3HD2 LEU 28 12.681 3.176 0.472 211 HD22 LEU 28 1HD2 LEU 28 13.730 1.995 1.226 212 HD23 LEU 28 2HD2 LEU 28 13.654 2.108 -0.530 213 H SER 29 H SER 29 17.885 5.024 0.069 214 HA SER 29 HA SER 29 18.938 4.198 -2.547 215 HB2 SER 29 2HB SER 29 20.254 5.894 -1.374 216 HB3 SER 29 1HB SER 29 20.358 4.858 0.038 217 HG SER 29 HG SER 29 21.921 3.820 -0.903 218 H LYS 30 H LYS 30 20.281 2.220 -2.580 219 HA LYS 30 HA LYS 30 18.941 -0.027 -1.714 220 HB2 LYS 30 2HB LYS 30 20.808 -0.034 -3.353 221 HB3 LYS 30 1HB LYS 30 21.931 0.215 -2.016 222 HG2 LYS 30 2HG LYS 30 21.045 -1.902 -0.963 223 HG3 LYS 30 1HG LYS 30 20.090 -2.158 -2.421 224 HD2 LYS 30 2HD LYS 30 22.141 -3.406 -2.624 225 HD3 LYS 30 1HD LYS 30 22.215 -2.052 -3.752 226 HE2 LYS 30 2HE LYS 30 23.883 -1.000 -2.572 227 HE3 LYS 30 1HE LYS 30 23.263 -1.527 -1.000 228 HZ1 LYS 30 3HZ LYS 30 24.312 -3.549 -1.174 229 HZ2 LYS 30 1HZ LYS 30 25.442 -2.536 -1.929 230 HZ3 LYS 30 2HZ LYS 30 24.406 -3.500 -2.869 231 H LYS 31 H LYS 31 21.657 1.620 -0.167 232 HA LYS 31 HA LYS 31 22.043 -0.193 1.911 233 HB2 LYS 31 2HB LYS 31 23.211 1.615 3.018 234 HB3 LYS 31 1HB LYS 31 23.519 1.750 1.284 235 HG2 LYS 31 2HG LYS 31 21.595 3.376 1.150 236 HG3 LYS 31 1HG LYS 31 21.524 3.339 2.910 237 HD2 LYS 31 2HD LYS 31 23.881 3.963 2.962 238 HD3 LYS 31 1HD LYS 31 23.833 4.265 1.234 239 HE2 LYS 31 2HE LYS 31 21.952 5.868 1.640 240 HE3 LYS 31 1HE LYS 31 22.159 5.619 3.374 241 HZ1 LYS 31 3HZ LYS 31 23.537 7.387 1.736 242 HZ2 LYS 31 1HZ LYS 31 24.651 6.194 2.197 243 HZ3 LYS 31 2HZ LYS 31 23.807 7.071 3.383 244 H GLU 32 H GLU 32 20.041 2.743 1.728 245 HA GLU 32 HA GLU 32 19.051 2.606 4.352 246 HB2 GLU 32 2HB GLU 32 17.679 3.774 1.920 247 HB3 GLU 32 1HB GLU 32 17.260 4.096 3.606 248 HG2 GLU 32 2HG GLU 32 19.587 4.912 3.973 249 HG3 GLU 32 1HG GLU 32 19.884 4.730 2.256 250 H LEU 33 H LEU 33 17.403 1.336 1.313 251 HA LEU 33 HA LEU 33 15.233 0.319 2.847 252 HB2 LEU 33 2HB LEU 33 15.110 -1.583 1.071 253 HB3 LEU 33 1HB LEU 33 14.632 0.015 0.654 254 HG LEU 33 HG LEU 33 17.447 -0.153 0.128 255 HD11 LEU 33 1HD1 LEU 33 17.338 -1.905 -1.702 256 HD12 LEU 33 2HD1 LEU 33 15.785 -2.414 -1.065 257 HD13 LEU 33 3HD1 LEU 33 17.243 -2.575 -0.077 258 HD21 LEU 33 3HD2 LEU 33 16.146 1.401 -1.133 259 HD22 LEU 33 1HD2 LEU 33 14.937 0.185 -1.538 260 HD23 LEU 33 2HD2 LEU 33 16.516 0.132 -2.298 261 H LYS 34 H LYS 34 18.429 -1.029 2.149 262 HA LYS 34 HA LYS 34 17.940 -3.602 3.083 263 HB2 LYS 34 2HB LYS 34 20.116 -2.839 2.118 264 HB3 LYS 34 1HB LYS 34 20.433 -1.959 3.609 265 HG2 LYS 34 2HG LYS 34 21.580 -4.010 3.884 266 HG3 LYS 34 1HG LYS 34 20.095 -4.216 4.810 267 HD2 LYS 34 2HD LYS 34 19.076 -5.463 2.972 268 HD3 LYS 34 1HD LYS 34 20.476 -5.154 1.956 269 HE2 LYS 34 2HE LYS 34 20.073 -7.251 3.919 270 HE3 LYS 34 1HE LYS 34 21.372 -7.077 2.741 271 HZ1 LYS 34 3HZ LYS 34 21.371 -5.411 5.166 272 HZ2 LYS 34 1HZ LYS 34 22.679 -5.927 4.217 273 HZ3 LYS 34 2HZ LYS 34 21.902 -7.023 5.257 274 H GLU 35 H GLU 35 18.436 -0.554 4.814 275 HA GLU 35 HA GLU 35 18.505 -1.805 7.404 276 HB2 GLU 35 2HB GLU 35 18.068 1.060 6.551 277 HB3 GLU 35 1HB GLU 35 18.236 0.531 8.227 278 HG2 GLU 35 2HG GLU 35 20.455 -0.442 7.675 279 HG3 GLU 35 1HG GLU 35 20.292 0.166 6.029 280 H LEU 36 H LEU 36 15.929 -0.102 5.517 281 HA LEU 36 HA LEU 36 14.073 -0.210 7.677 282 HB2 LEU 36 2HB LEU 36 13.884 1.250 5.581 283 HB3 LEU 36 1HB LEU 36 13.220 -0.178 4.772 284 HG LEU 36 HG LEU 36 12.123 0.957 7.400 285 HD11 LEU 36 1HD1 LEU 36 10.225 1.786 6.013 286 HD12 LEU 36 2HD1 LEU 36 11.170 1.427 4.582 287 HD13 LEU 36 3HD1 LEU 36 11.734 2.630 5.735 288 HD21 LEU 36 3HD2 LEU 36 11.403 -1.322 5.634 289 HD22 LEU 36 1HD2 LEU 36 10.063 -0.373 6.247 290 HD23 LEU 36 2HD2 LEU 36 11.186 -1.118 7.362 291 H LEU 37 H LEU 37 14.381 -2.401 4.802 292 HA LEU 37 HA LEU 37 12.161 -3.963 5.537 293 HB2 LEU 37 2HB LEU 37 14.634 -4.738 3.981 294 HB3 LEU 37 1HB LEU 37 13.300 -5.846 4.264 295 HG LEU 37 HG LEU 37 13.284 -4.561 2.041 296 HD11 LEU 37 1HD1 LEU 37 10.809 -4.110 3.717 297 HD12 LEU 37 2HD1 LEU 37 11.301 -5.710 3.167 298 HD13 LEU 37 3HD1 LEU 37 10.906 -4.458 1.992 299 HD21 LEU 37 3HD2 LEU 37 13.893 -2.373 3.065 300 HD22 LEU 37 1HD2 LEU 37 12.310 -2.326 3.814 301 HD23 LEU 37 2HD2 LEU 37 12.454 -2.298 2.064 302 H GLN 38 H GLN 38 15.574 -4.230 6.462 303 HA GLN 38 HA GLN 38 15.265 -6.606 7.969 304 HB2 GLN 38 2HB GLN 38 17.296 -4.379 8.179 305 HB3 GLN 38 1HB GLN 38 17.399 -5.903 9.061 306 HG2 GLN 38 2HG GLN 38 17.418 -7.153 6.955 307 HG3 GLN 38 1HG GLN 38 17.241 -5.658 6.041 308 HE21 GLN 38 1HE2 GLN 38 19.497 -7.343 5.618 309 HE22 GLN 38 2HE2 GLN 38 20.882 -6.550 6.194 310 H THR 39 H THR 39 14.965 -3.160 8.870 311 HA THR 39 HA THR 39 14.683 -3.709 11.659 312 HB THR 39 HB THR 39 13.945 -1.382 11.843 313 HG1 THR 39 1HG THR 39 12.937 -0.589 10.212 314 HG21 THR 39 3HG2 THR 39 15.957 -0.536 10.172 315 HG22 THR 39 1HG2 THR 39 16.382 -2.231 10.410 316 HG23 THR 39 2HG2 THR 39 16.206 -1.161 11.800 317 H GLU 40 H GLU 40 12.276 -3.202 9.068 318 HA GLU 40 HA GLU 40 10.115 -3.574 11.002 319 HB2 GLU 40 2HB GLU 40 10.083 -2.990 8.044 320 HB3 GLU 40 1HB GLU 40 8.646 -3.211 9.028 321 HG2 GLU 40 2HG GLU 40 10.770 -1.129 9.602 322 HG3 GLU 40 1HG GLU 40 9.277 -0.800 8.726 323 H LEU 41 H LEU 41 11.245 -5.144 8.000 324 HA LEU 41 HA LEU 41 9.574 -7.469 8.688 325 HB2 LEU 41 2HB LEU 41 11.000 -6.898 6.085 326 HB3 LEU 41 1HB LEU 41 9.809 -8.152 6.380 327 HG LEU 41 HG LEU 41 9.351 -5.159 6.340 328 HD11 LEU 41 1HD1 LEU 41 9.420 -6.836 4.243 329 HD12 LEU 41 2HD1 LEU 41 8.282 -5.492 4.329 330 HD13 LEU 41 3HD1 LEU 41 7.758 -7.122 4.750 331 HD21 LEU 41 3HD2 LEU 41 6.877 -6.002 6.607 332 HD22 LEU 41 1HD2 LEU 41 7.875 -5.780 8.042 333 HD23 LEU 41 2HD2 LEU 41 7.630 -7.398 7.373 334 H SER 42 H SER 42 10.353 -9.492 8.941 335 HA SER 42 HA SER 42 13.304 -9.753 9.005 336 HB2 SER 42 2HB SER 42 11.160 -10.675 10.842 337 HB3 SER 42 1HB SER 42 12.480 -11.804 10.555 338 HG SER 42 HG SER 42 13.395 -9.283 10.896 339 H GLY 43 H GLY 43 10.465 -11.888 8.851 340 HA2 GLY 43 2HA GLY 43 11.684 -13.987 7.491 341 HA3 GLY 43 1HA GLY 43 9.958 -13.694 7.551 342 H PHE 44 H PHE 44 9.963 -11.168 6.085 343 HA PHE 44 HA PHE 44 9.760 -12.207 3.485 344 HB2 PHE 44 2HB PHE 44 9.970 -9.362 4.465 345 HB3 PHE 44 1HB PHE 44 9.661 -9.781 2.783 346 HD1 PHE 44 1HD PHE 44 7.574 -10.883 2.108 347 HD2 PHE 44 2HD PHE 44 8.264 -9.769 6.209 348 HE1 PHE 44 1HE PHE 44 5.171 -11.214 2.611 349 HE2 PHE 44 2HE PHE 44 5.862 -10.097 6.698 350 HZ PHE 44 HZ PHE 44 4.315 -10.818 4.903 351 H LEU 45 H LEU 45 12.335 -10.032 4.755 352 HA LEU 45 HA LEU 45 13.901 -10.361 2.348 353 HB2 LEU 45 2HB LEU 45 14.145 -8.804 4.845 354 HB3 LEU 45 1HB LEU 45 15.684 -9.385 4.217 355 HG LEU 45 HG LEU 45 14.953 -7.111 3.351 356 HD11 LEU 45 1HD1 LEU 45 15.204 -8.279 0.818 357 HD12 LEU 45 2HD1 LEU 45 15.961 -9.454 1.900 358 HD13 LEU 45 3HD1 LEU 45 16.523 -7.782 1.874 359 HD21 LEU 45 3HD2 LEU 45 13.023 -6.829 2.173 360 HD22 LEU 45 1HD2 LEU 45 12.498 -8.313 2.966 361 HD23 LEU 45 2HD2 LEU 45 13.176 -8.370 1.335 362 H ASP 46 H ASP 46 13.919 -11.751 5.560 363 HA ASP 46 HA ASP 46 16.337 -13.134 5.369 364 HB2 ASP 46 2HB ASP 46 15.027 -12.842 7.471 365 HB3 ASP 46 1HB ASP 46 13.872 -14.033 6.876 366 H ALA 47 H ALA 47 13.182 -13.837 4.067 367 HA ALA 47 HA ALA 47 13.365 -16.568 3.629 368 HB1 ALA 47 1HB ALA 47 11.316 -15.324 3.210 369 HB2 ALA 47 2HB ALA 47 11.791 -16.192 1.750 370 HB3 ALA 47 3HB ALA 47 12.084 -14.459 1.879 371 H GLN 48 H GLN 48 14.922 -13.930 1.842 372 HA GLN 48 HA GLN 48 15.895 -15.886 -0.141 373 HB2 GLN 48 2HB GLN 48 16.449 -12.916 -0.024 374 HB3 GLN 48 1HB GLN 48 16.678 -14.006 -1.393 375 HG2 GLN 48 2HG GLN 48 14.034 -13.215 -0.140 376 HG3 GLN 48 1HG GLN 48 14.630 -12.747 -1.733 377 HE21 GLN 48 1HE2 GLN 48 12.424 -14.762 -0.431 378 HE22 GLN 48 2HE2 GLN 48 12.503 -16.056 -1.530 379 H LYS 49 H LYS 49 17.678 -16.959 0.390 380 HA LYS 49 HA LYS 49 19.355 -16.324 2.543 381 HB2 LYS 49 2HB LYS 49 19.047 -18.596 1.634 382 HB3 LYS 49 1HB LYS 49 19.967 -18.129 0.204 383 HG2 LYS 49 2HG LYS 49 21.908 -17.578 1.655 384 HG3 LYS 49 1HG LYS 49 20.988 -18.115 3.061 385 HD2 LYS 49 2HD LYS 49 20.741 -20.360 1.967 386 HD3 LYS 49 1HD LYS 49 21.820 -19.803 0.686 387 HE2 LYS 49 2HE LYS 49 23.173 -20.995 2.282 388 HE3 LYS 49 1HE LYS 49 23.527 -19.279 2.478 389 HZ1 LYS 49 3HZ LYS 49 21.446 -20.617 4.092 390 HZ2 LYS 49 1HZ LYS 49 22.255 -19.159 4.406 391 HZ3 LYS 49 2HZ LYS 49 23.078 -20.636 4.565 392 H ASP 50 H ASP 50 19.802 -15.671 -0.915 393 HA ASP 50 HA ASP 50 22.514 -14.894 -0.665 394 HB2 ASP 50 2HB ASP 50 20.478 -14.220 -2.786 395 HB3 ASP 50 1HB ASP 50 22.202 -13.849 -2.887 396 H VAL 51 H VAL 51 23.512 -12.954 -0.490 397 HA VAL 51 HA VAL 51 22.102 -10.814 0.826 398 HB VAL 51 HB VAL 51 24.214 -9.700 0.940 399 HG11 VAL 51 1HG1 VAL 51 23.854 -12.110 2.045 400 HG12 VAL 51 2HG1 VAL 51 25.370 -11.228 2.211 401 HG13 VAL 51 3HG1 VAL 51 25.226 -12.509 1.008 402 HG21 VAL 51 3HG2 VAL 51 25.096 -11.591 -1.266 403 HG22 VAL 51 1HG2 VAL 51 26.192 -10.544 -0.371 404 HG23 VAL 51 2HG2 VAL 51 24.926 -9.841 -1.374 405 H ASP 52 H ASP 52 23.059 -11.717 -2.336 406 HA ASP 52 HA ASP 52 22.863 -9.279 -3.736 407 HB2 ASP 52 2HB ASP 52 22.378 -12.136 -4.614 408 HB3 ASP 52 1HB ASP 52 22.432 -10.763 -5.716 409 H ALA 53 H ALA 53 20.564 -11.414 -2.351 410 HA ALA 53 HA ALA 53 18.300 -11.060 -3.873 411 HB1 ALA 53 1HB ALA 53 17.041 -11.593 -1.922 412 HB2 ALA 53 2HB ALA 53 18.334 -11.041 -0.856 413 HB3 ALA 53 3HB ALA 53 18.552 -12.501 -1.825 414 H VAL 54 H VAL 54 19.687 -8.819 -1.451 415 HA VAL 54 HA VAL 54 17.510 -7.015 -1.403 416 HB VAL 54 HB VAL 54 19.470 -6.910 0.172 417 HG11 VAL 54 1HG1 VAL 54 21.082 -7.132 -1.919 418 HG12 VAL 54 2HG1 VAL 54 21.575 -6.166 -0.531 419 HG13 VAL 54 3HG1 VAL 54 20.930 -5.378 -1.970 420 HG21 VAL 54 3HG2 VAL 54 18.662 -4.481 -1.441 421 HG22 VAL 54 1HG2 VAL 54 19.682 -4.364 -0.011 422 HG23 VAL 54 2HG2 VAL 54 18.044 -4.999 0.129 423 H ASP 55 H ASP 55 20.367 -7.234 -3.508 424 HA ASP 55 HA ASP 55 19.859 -4.910 -5.022 425 HB2 ASP 55 2HB ASP 55 21.227 -7.495 -5.751 426 HB3 ASP 55 1HB ASP 55 21.232 -6.070 -6.782 427 H LYS 56 H LYS 56 18.846 -8.284 -5.378 428 HA LYS 56 HA LYS 56 17.506 -7.990 -7.839 429 HB2 LYS 56 2HB LYS 56 16.957 -9.873 -5.532 430 HB3 LYS 56 1HB LYS 56 16.245 -10.021 -7.139 431 HG2 LYS 56 2HG LYS 56 18.548 -10.143 -8.102 432 HG3 LYS 56 1HG LYS 56 19.198 -10.128 -6.462 433 HD2 LYS 56 2HD LYS 56 17.848 -12.172 -5.956 434 HD3 LYS 56 1HD LYS 56 17.345 -12.215 -7.645 435 HE2 LYS 56 2HE LYS 56 19.174 -13.613 -7.781 436 HE3 LYS 56 1HE LYS 56 19.992 -12.072 -8.038 437 HZ1 LYS 56 3HZ LYS 56 20.325 -13.909 -5.934 438 HZ2 LYS 56 1HZ LYS 56 19.759 -12.445 -5.292 439 HZ3 LYS 56 2HZ LYS 56 21.175 -12.468 -6.229 440 H VAL 57 H VAL 57 16.476 -7.478 -4.499 441 HA VAL 57 HA VAL 57 13.738 -7.067 -5.067 442 HB VAL 57 HB VAL 57 15.464 -6.162 -2.760 443 HG11 VAL 57 1HG1 VAL 57 13.179 -5.886 -1.637 444 HG12 VAL 57 2HG1 VAL 57 12.492 -5.913 -3.261 445 HG13 VAL 57 3HG1 VAL 57 13.626 -4.641 -2.805 446 HG21 VAL 57 3HG2 VAL 57 14.568 -8.053 -1.614 447 HG22 VAL 57 1HG2 VAL 57 14.976 -8.656 -3.222 448 HG23 VAL 57 2HG2 VAL 57 13.301 -8.278 -2.822 449 H MET 58 H MET 58 16.420 -4.700 -4.677 450 HA MET 58 HA MET 58 14.640 -2.504 -5.095 451 HB2 MET 58 2HB MET 58 16.354 -1.122 -4.591 452 HB3 MET 58 1HB MET 58 16.994 -2.601 -3.907 453 HG2 MET 58 2HG MET 58 18.829 -2.020 -5.138 454 HG3 MET 58 1HG MET 58 17.954 -2.807 -6.442 455 HE1 MET 58 3HE MET 58 18.435 0.221 -4.394 456 HE2 MET 58 1HE MET 58 18.372 1.619 -5.475 457 HE3 MET 58 2HE MET 58 19.757 0.531 -5.514 458 H LYS 59 H LYS 59 16.675 -4.283 -7.411 459 HA LYS 59 HA LYS 59 16.594 -2.337 -9.437 460 HB2 LYS 59 2HB LYS 59 16.749 -5.337 -9.744 461 HB3 LYS 59 1HB LYS 59 17.042 -4.173 -11.037 462 HG2 LYS 59 2HG LYS 59 18.594 -4.241 -8.456 463 HG3 LYS 59 1HG LYS 59 19.130 -4.950 -9.976 464 HD2 LYS 59 2HD LYS 59 18.450 -2.441 -10.824 465 HD3 LYS 59 1HD LYS 59 18.944 -2.095 -9.165 466 HE2 LYS 59 2HE LYS 59 20.566 -3.663 -11.158 467 HE3 LYS 59 1HE LYS 59 20.840 -1.964 -10.764 468 HZ1 LYS 59 3HZ LYS 59 21.415 -2.510 -8.562 469 HZ2 LYS 59 1HZ LYS 59 22.248 -3.629 -9.526 470 HZ3 LYS 59 2HZ LYS 59 20.834 -4.099 -8.709 471 H GLU 60 H GLU 60 14.189 -4.871 -8.688 472 HA GLU 60 HA GLU 60 12.646 -4.289 -11.030 473 HB2 GLU 60 2HB GLU 60 10.987 -5.729 -10.144 474 HB3 GLU 60 1HB GLU 60 12.521 -6.418 -9.616 475 HG2 GLU 60 2HG GLU 60 12.250 -5.214 -7.442 476 HG3 GLU 60 1HG GLU 60 10.654 -4.689 -7.967 477 H LEU 61 H LEU 61 12.723 -3.087 -7.737 478 HA LEU 61 HA LEU 61 10.333 -1.564 -7.879 479 HB2 LEU 61 2HB LEU 61 12.751 -1.187 -6.116 480 HB3 LEU 61 1HB LEU 61 11.197 -0.402 -5.886 481 HG LEU 61 HG LEU 61 11.664 -3.391 -5.834 482 HD11 LEU 61 1HD1 LEU 61 11.640 -3.262 -3.504 483 HD12 LEU 61 2HD1 LEU 61 10.759 -1.733 -3.499 484 HD13 LEU 61 3HD1 LEU 61 12.474 -1.763 -3.904 485 HD21 LEU 61 3HD2 LEU 61 9.421 -3.225 -6.475 486 HD22 LEU 61 1HD2 LEU 61 9.206 -1.664 -5.674 487 HD23 LEU 61 2HD2 LEU 61 9.273 -3.143 -4.735 488 H ASP 62 H ASP 62 13.683 -0.809 -8.730 489 HA ASP 62 HA ASP 62 13.112 1.981 -9.002 490 HB2 ASP 62 2HB ASP 62 15.417 0.963 -8.746 491 HB3 ASP 62 1HB ASP 62 15.294 0.485 -10.440 492 H GLU 63 H GLU 63 11.022 1.637 -10.133 493 HA GLU 63 HA GLU 63 10.970 0.740 -12.857 494 HB2 GLU 63 2HB GLU 63 8.902 1.034 -11.518 495 HB3 GLU 63 1HB GLU 63 9.194 2.773 -11.469 496 HG2 GLU 63 2HG GLU 63 9.117 2.852 -13.933 497 HG3 GLU 63 1HG GLU 63 8.786 1.130 -13.975 498 H ASN 64 H ASN 64 11.507 3.620 -11.160 499 HA ASN 64 HA ASN 64 11.664 5.517 -13.158 500 HB2 ASN 64 2HB ASN 64 11.452 5.918 -10.779 501 HB3 ASN 64 1HB ASN 64 13.024 5.201 -10.500 502 HD21 ASN 64 1HD2 ASN 64 11.705 7.816 -12.623 503 HD22 ASN 64 2HD2 ASN 64 12.962 8.898 -12.267 504 H GLY 65 H GLY 65 14.115 3.297 -11.871 505 HA2 GLY 65 2HA GLY 65 16.011 2.465 -12.911 506 HA3 GLY 65 1HA GLY 65 15.646 3.468 -14.306 507 H ASP 66 H ASP 66 15.799 5.089 -11.246 508 HA ASP 66 HA ASP 66 18.188 6.493 -12.162 509 HB2 ASP 66 2HB ASP 66 17.703 8.046 -10.318 510 HB3 ASP 66 1HB ASP 66 16.283 7.789 -11.329 511 H GLY 67 H GLY 67 17.795 3.719 -10.479 512 HA2 GLY 67 2HA GLY 67 19.498 2.490 -9.428 513 HA3 GLY 67 1HA GLY 67 20.426 3.977 -9.243 514 H GLU 68 H GLU 68 17.474 4.822 -8.339 515 HA GLU 68 HA GLU 68 17.839 4.110 -5.490 516 HB2 GLU 68 2HB GLU 68 16.726 6.642 -6.683 517 HB3 GLU 68 1HB GLU 68 16.680 6.252 -4.974 518 HG2 GLU 68 2HG GLU 68 18.546 7.635 -5.133 519 HG3 GLU 68 1HG GLU 68 19.265 6.018 -5.214 520 H VAL 69 H VAL 69 15.886 4.061 -4.239 521 HA VAL 69 HA VAL 69 13.536 3.234 -5.818 522 HB VAL 69 HB VAL 69 14.243 2.634 -2.931 523 HG11 VAL 69 1HG1 VAL 69 12.383 1.033 -3.037 524 HG12 VAL 69 2HG1 VAL 69 12.023 1.568 -4.675 525 HG13 VAL 69 3HG1 VAL 69 11.822 2.680 -3.314 526 HG21 VAL 69 3HG2 VAL 69 14.396 0.937 -5.413 527 HG22 VAL 69 1HG2 VAL 69 14.555 0.316 -3.770 528 HG23 VAL 69 2HG2 VAL 69 15.738 1.463 -4.392 529 H ASP 70 H ASP 70 11.730 4.584 -5.702 530 HA ASP 70 HA ASP 70 12.045 6.882 -3.846 531 HB2 ASP 70 2HB ASP 70 10.654 8.165 -5.251 532 HB3 ASP 70 1HB ASP 70 11.736 7.290 -6.323 533 H PHE 71 H PHE 71 9.905 7.800 -3.051 534 HA PHE 71 HA PHE 71 8.778 6.093 -1.178 535 HB2 PHE 71 2HB PHE 71 8.723 8.663 -1.423 536 HB3 PHE 71 1HB PHE 71 7.323 8.410 -2.449 537 HD1 PHE 71 1HD PHE 71 6.700 5.807 -0.362 538 HD2 PHE 71 2HD PHE 71 7.108 10.072 -0.122 539 HE1 PHE 71 1HE PHE 71 5.243 5.830 1.626 540 HE2 PHE 71 2HE PHE 71 5.662 10.075 1.875 541 HZ PHE 71 HZ PHE 71 4.736 7.965 2.740 542 H GLN 72 H GLN 72 7.527 6.977 -4.417 543 HA GLN 72 HA GLN 72 5.102 5.525 -4.215 544 HB2 GLN 72 2HB GLN 72 6.759 6.261 -6.644 545 HB3 GLN 72 1HB GLN 72 5.120 5.609 -6.712 546 HG2 GLN 72 2HG GLN 72 4.298 7.506 -5.391 547 HG3 GLN 72 1HG GLN 72 5.917 8.160 -5.271 548 HE21 GLN 72 1HE2 GLN 72 3.884 9.711 -6.402 549 HE22 GLN 72 2HE2 GLN 72 4.165 9.875 -8.061 550 H GLU 73 H GLU 73 8.337 4.555 -5.325 551 HA GLU 73 HA GLU 73 7.658 1.987 -6.281 552 HB2 GLU 73 2HB GLU 73 10.209 3.102 -5.132 553 HB3 GLU 73 1HB GLU 73 10.099 1.532 -5.909 554 HG2 GLU 73 2HG GLU 73 9.348 2.663 -8.002 555 HG3 GLU 73 1HG GLU 73 9.550 4.220 -7.212 556 H TYR 74 H TYR 74 8.747 3.196 -3.150 557 HA TYR 74 HA TYR 74 8.893 0.740 -1.742 558 HB2 TYR 74 2HB TYR 74 9.941 2.844 -0.999 559 HB3 TYR 74 1HB TYR 74 8.346 3.540 -0.725 560 HD1 TYR 74 1HD TYR 74 10.772 0.989 0.413 561 HD2 TYR 74 2HD TYR 74 7.008 2.910 1.175 562 HE1 TYR 74 1HE TYR 74 10.730 0.009 2.691 563 HE2 TYR 74 2HE TYR 74 6.965 1.927 3.450 564 HH TYR 74 HH TYR 74 8.667 1.074 5.107 565 H VAL 75 H VAL 75 6.407 3.114 -2.229 566 HA VAL 75 HA VAL 75 4.475 2.111 -0.460 567 HB VAL 75 HB VAL 75 4.620 4.287 -2.300 568 HG11 VAL 75 1HG1 VAL 75 3.463 3.122 -4.037 569 HG12 VAL 75 2HG1 VAL 75 2.327 4.236 -3.290 570 HG13 VAL 75 3HG1 VAL 75 2.255 2.529 -2.914 571 HG21 VAL 75 3HG2 VAL 75 2.549 3.405 -0.292 572 HG22 VAL 75 1HG2 VAL 75 2.418 4.920 -1.186 573 HG23 VAL 75 2HG2 VAL 75 3.796 4.647 -0.118 574 H VAL 76 H VAL 76 4.969 1.452 -3.956 575 HA VAL 76 HA VAL 76 2.820 -0.446 -3.947 576 HB VAL 76 HB VAL 76 3.583 -1.175 -6.117 577 HG11 VAL 76 1HG1 VAL 76 2.500 1.147 -5.711 578 HG12 VAL 76 2HG1 VAL 76 3.270 0.862 -7.273 579 HG13 VAL 76 3HG1 VAL 76 4.109 1.796 -6.035 580 HG21 VAL 76 3HG2 VAL 76 5.673 -0.507 -7.085 581 HG22 VAL 76 1HG2 VAL 76 6.052 -1.148 -5.489 582 HG23 VAL 76 2HG2 VAL 76 5.999 0.588 -5.753 583 H LEU 77 H LEU 77 6.303 -0.652 -3.206 584 HA LEU 77 HA LEU 77 6.526 -3.449 -3.233 585 HB2 LEU 77 2HB LEU 77 8.501 -2.136 -2.854 586 HB3 LEU 77 1HB LEU 77 7.816 -1.409 -1.415 587 HG LEU 77 HG LEU 77 7.822 -3.644 -0.301 588 HD11 LEU 77 1HD1 LEU 77 7.727 -5.101 -2.281 589 HD12 LEU 77 2HD1 LEU 77 9.129 -5.478 -1.292 590 HD13 LEU 77 3HD1 LEU 77 9.322 -4.552 -2.769 591 HD21 LEU 77 3HD2 LEU 77 10.414 -3.824 -0.307 592 HD22 LEU 77 1HD2 LEU 77 9.655 -2.338 0.269 593 HD23 LEU 77 2HD2 LEU 77 10.340 -2.408 -1.357 594 H VAL 78 H VAL 78 5.599 -1.380 -0.437 595 HA VAL 78 HA VAL 78 5.074 -3.692 1.161 596 HB VAL 78 HB VAL 78 3.997 -2.213 2.786 597 HG11 VAL 78 1HG1 VAL 78 6.251 -2.291 3.171 598 HG12 VAL 78 2HG1 VAL 78 6.053 -0.561 2.898 599 HG13 VAL 78 3HG1 VAL 78 6.669 -1.593 1.604 600 HG21 VAL 78 3HG2 VAL 78 2.961 -0.648 1.075 601 HG22 VAL 78 1HG2 VAL 78 4.555 0.082 0.880 602 HG23 VAL 78 2HG2 VAL 78 3.741 0.145 2.437 603 H ALA 79 H ALA 79 3.016 -1.690 -0.926 604 HA ALA 79 HA ALA 79 0.570 -2.836 0.044 605 HB1 ALA 79 1HB ALA 79 0.726 -1.931 -2.785 606 HB2 ALA 79 2HB ALA 79 1.079 -0.748 -1.533 607 HB3 ALA 79 3HB ALA 79 -0.469 -1.573 -1.536 608 H ALA 80 H ALA 80 2.598 -3.621 -2.771 609 HA ALA 80 HA ALA 80 0.998 -5.753 -3.710 610 HB1 ALA 80 1HB ALA 80 3.930 -5.106 -4.073 611 HB2 ALA 80 2HB ALA 80 2.603 -4.782 -5.195 612 HB3 ALA 80 3HB ALA 80 3.123 -6.443 -4.896 613 H LEU 81 H LEU 81 3.709 -5.550 -1.409 614 HA LEU 81 HA LEU 81 3.839 -8.378 -1.001 615 HB2 LEU 81 2HB LEU 81 4.920 -5.997 0.424 616 HB3 LEU 81 1HB LEU 81 4.796 -7.504 1.326 617 HG LEU 81 HG LEU 81 6.240 -8.655 -0.165 618 HD11 LEU 81 1HD1 LEU 81 5.634 -6.430 -2.083 619 HD12 LEU 81 2HD1 LEU 81 5.653 -8.165 -2.361 620 HD13 LEU 81 3HD1 LEU 81 7.163 -7.282 -2.219 621 HD21 LEU 81 3HD2 LEU 81 8.276 -7.293 -0.163 622 HD22 LEU 81 1HD2 LEU 81 7.382 -7.055 1.338 623 HD23 LEU 81 2HD2 LEU 81 7.318 -5.832 0.070 624 H THR 82 H THR 82 1.819 -5.800 0.349 625 HA THR 82 HA THR 82 0.746 -7.314 2.500 626 HB THR 82 HB THR 82 -0.618 -5.147 0.889 627 HG1 THR 82 1HG THR 82 0.289 -4.139 3.063 628 HG21 THR 82 3HG2 THR 82 -2.254 -5.152 2.459 629 HG22 THR 82 1HG2 THR 82 -1.097 -5.322 3.778 630 HG23 THR 82 2HG2 THR 82 -1.656 -6.749 2.905 631 H VAL 83 H VAL 83 -0.518 -6.803 -0.828 632 HA VAL 83 HA VAL 83 -2.732 -8.568 -0.409 633 HB VAL 83 HB VAL 83 -2.748 -6.982 -2.298 634 HG11 VAL 83 1HG1 VAL 83 -1.422 -7.230 -4.224 635 HG12 VAL 83 2HG1 VAL 83 -0.902 -8.853 -3.775 636 HG13 VAL 83 3HG1 VAL 83 -0.294 -7.453 -2.915 637 HG21 VAL 83 3HG2 VAL 83 -2.845 -9.734 -3.501 638 HG22 VAL 83 1HG2 VAL 83 -3.963 -8.385 -3.713 639 HG23 VAL 83 2HG2 VAL 83 -3.966 -9.303 -2.206 640 H ALA 84 H ALA 84 0.567 -9.130 -1.565 641 HA ALA 84 HA ALA 84 0.179 -11.860 -2.255 642 HB1 ALA 84 1HB ALA 84 2.129 -10.515 -2.980 643 HB2 ALA 84 2HB ALA 84 2.604 -12.020 -2.193 644 HB3 ALA 84 3HB ALA 84 2.706 -10.492 -1.315 645 H CYS 85 H CHC 85 0.793 -10.159 0.726 646 HA CYS 85 HA CHC 85 1.576 -12.374 2.308 647 HB2 CYS 85 2HB CHC 85 1.922 -10.009 2.994 648 HB3 CYS 85 1HB CHC 85 0.181 -9.829 3.179 649 H ASN 86 H ASN 86 -1.574 -10.669 1.996 650 HA ASN 86 HA ASN 86 -3.004 -12.491 3.600 651 HB2 ASN 86 2HB ASN 86 -3.864 -10.295 2.637 652 HB3 ASN 86 1HB ASN 86 -4.132 -11.174 1.132 653 HD21 ASN 86 1HD2 ASN 86 -6.188 -12.080 0.961 654 HD22 ASN 86 2HD2 ASN 86 -7.172 -12.515 2.273 655 H ASN 87 H ASN 87 -2.185 -12.527 0.141 656 HA ASN 87 HA ASN 87 -3.626 -14.864 -0.580 657 HB2 ASN 87 2HB ASN 87 -1.002 -13.767 -1.629 658 HB3 ASN 87 1HB ASN 87 -1.943 -15.038 -2.406 659 HD21 ASN 87 1HD2 ASN 87 -1.428 -12.555 -3.734 660 HD22 ASN 87 2HD2 ASN 87 -2.897 -11.721 -3.893 661 H PHE 88 H PHE 88 -0.364 -14.455 0.813 662 HA PHE 88 HA PHE 88 0.194 -17.228 0.624 663 HB2 PHE 88 2HB PHE 88 1.950 -15.504 1.034 664 HB3 PHE 88 1HB PHE 88 1.296 -15.242 2.651 665 HD1 PHE 88 1HD PHE 88 2.975 -17.687 0.431 666 HD2 PHE 88 2HD PHE 88 1.658 -16.828 4.429 667 HE1 PHE 88 1HE PHE 88 4.295 -19.607 1.279 668 HE2 PHE 88 2HE PHE 88 2.979 -18.748 5.276 669 HZ PHE 88 HZ PHE 88 4.297 -20.138 3.702 670 H PHE 89 H PHE 89 -1.338 -15.266 3.185 671 HA PHE 89 HA PHE 89 -1.433 -17.326 5.112 672 HB2 PHE 89 2HB PHE 89 -1.811 -14.927 5.602 673 HB3 PHE 89 1HB PHE 89 -3.362 -15.024 4.772 674 HD1 PHE 89 2HD PHE 89 -1.421 -16.219 7.692 675 HD2 PHE 89 1HD PHE 89 -5.265 -16.107 5.777 676 HE1 PHE 89 2HE PHE 89 -2.477 -17.088 9.760 677 HE2 PHE 89 1HE PHE 89 -6.321 -16.976 7.846 678 HZ PHE 89 HZ PHE 89 -4.926 -17.466 9.838 679 H TRP 90 H TRP 90 -4.180 -16.147 3.061 680 HA TRP 90 HA TRP 90 -5.791 -18.416 3.755 681 HB2 TRP 90 2HB TRP 90 -6.814 -16.315 2.966 682 HB3 TRP 90 1HB TRP 90 -6.119 -16.602 1.364 683 HD1 TRP 90 HD TRP 90 -6.806 -18.953 0.183 684 HE1 TRP 90 1HE TRP 90 -9.008 -20.249 0.236 685 HE3 TRP 90 3HE TRP 90 -8.926 -16.847 4.312 686 HZ2 TRP 90 2HZ TRP 90 -11.399 -20.371 1.826 687 HZ3 TRP 90 3HZ TRP 90 -11.171 -17.571 5.076 688 HH2 TRP 90 HH TRP 90 -12.408 -19.328 3.839 689 H GLU 91 H GLU 91 -3.848 -17.582 0.966 690 HA GLU 91 HA GLU 91 -4.270 -20.228 -0.219 691 HB2 GLU 91 2HB GLU 91 -3.211 -17.610 -1.243 692 HB3 GLU 91 1HB GLU 91 -2.877 -19.061 -2.106 693 HG2 GLU 91 2HG GLU 91 -5.599 -17.940 -1.384 694 HG3 GLU 91 1HG GLU 91 -4.874 -17.919 -2.984 695 H ASN 92 H ASN 92 -2.594 -21.643 -0.647 696 HA ASN 92 HA ASN 92 -0.436 -21.762 1.131 697 HB2 ASN 92 2HB ASN 92 -0.778 -23.061 -1.581 698 HB3 ASN 92 1HB ASN 92 0.473 -23.492 -0.416 699 HD21 ASN 92 1HD2 ASN 92 -1.495 -25.400 -1.244 700 HD22 ASN 92 2HD2 ASN 92 -2.493 -25.746 0.086 701 H SER 93 H SER 93 -0.724 -20.328 -2.062 702 HA SER 93 HA SER 93 1.750 -18.853 -1.628 703 HB2 SER 93 2HB SER 93 1.424 -20.517 -4.130 704 HB3 SER 93 1HB SER 93 2.821 -19.553 -3.659 705 HG SER 93 HG SER 93 2.712 -21.979 -3.216 706 H1 GLY 1 H GLY 1 9.267 -2.237 15.226 707 HA2 GLY 1 2HA GLY 1 9.639 -2.471 12.923 708 HA3 GLY 1 1HA GLY 1 10.251 -4.097 13.215 709 H SER 2 H SER 2 7.634 -4.249 14.947 710 HA SER 2 HA SER 2 6.129 -5.748 13.066 711 HB2 SER 2 2HB SER 2 4.531 -6.033 14.849 712 HB3 SER 2 1HB SER 2 6.150 -6.143 15.533 713 HG SER 2 HG SER 2 5.734 -4.432 16.674 714 H GLU 3 H GLU 3 6.215 -2.376 13.801 715 HA GLU 3 HA GLU 3 3.560 -1.640 13.362 716 HB2 GLU 3 2HB GLU 3 6.101 -0.133 12.779 717 HB3 GLU 3 1HB GLU 3 4.492 0.587 12.747 718 HG2 GLU 3 2HG GLU 3 4.152 -0.109 15.099 719 HG3 GLU 3 1HG GLU 3 5.789 -0.763 15.130 720 H LEU 4 H LEU 4 6.155 -2.059 10.886 721 HA LEU 4 HA LEU 4 4.537 -1.017 8.793 722 HB2 LEU 4 2HB LEU 4 7.071 -1.626 8.833 723 HB3 LEU 4 1HB LEU 4 6.519 -3.239 8.383 724 HG LEU 4 HG LEU 4 5.993 -0.652 6.892 725 HD11 LEU 4 1HD1 LEU 4 7.398 -3.028 5.732 726 HD12 LEU 4 2HD1 LEU 4 8.282 -1.921 6.783 727 HD13 LEU 4 3HD1 LEU 4 7.530 -1.324 5.306 728 HD21 LEU 4 3HD2 LEU 4 4.883 -3.415 6.521 729 HD22 LEU 4 1HD2 LEU 4 5.117 -2.357 5.132 730 HD23 LEU 4 2HD2 LEU 4 4.069 -1.847 6.448 731 H GLU 5 H GLU 5 4.995 -4.276 10.141 732 HA GLU 5 HA GLU 5 3.194 -5.576 8.367 733 HB2 GLU 5 2HB GLU 5 4.230 -6.358 11.095 734 HB3 GLU 5 1HB GLU 5 3.137 -7.374 10.156 735 HG2 GLU 5 2HG GLU 5 5.840 -6.387 9.200 736 HG3 GLU 5 1HG GLU 5 5.515 -8.007 9.810 737 H THR 6 H THR 6 2.778 -3.954 11.486 738 HA THR 6 HA THR 6 0.148 -4.833 11.979 739 HB THR 6 HB THR 6 1.308 -2.106 12.617 740 HG1 THR 6 1HG THR 6 1.840 -4.619 13.542 741 HG21 THR 6 3HG2 THR 6 -0.300 -2.315 14.556 742 HG22 THR 6 1HG2 THR 6 -0.977 -3.732 13.754 743 HG23 THR 6 2HG2 THR 6 -1.071 -2.151 12.979 744 H ALA 7 H ALA 7 1.458 -2.156 10.090 745 HA ALA 7 HA ALA 7 -1.039 -1.023 9.340 746 HB1 ALA 7 1HB ALA 7 1.403 -0.111 9.065 747 HB2 ALA 7 2HB ALA 7 0.178 0.313 7.872 748 HB3 ALA 7 3HB ALA 7 1.346 -0.960 7.522 749 H MET 8 H MET 8 1.100 -3.388 7.756 750 HA MET 8 HA MET 8 -0.436 -3.763 5.410 751 HB2 MET 8 2HB MET 8 1.414 -5.610 6.946 752 HB3 MET 8 1HB MET 8 0.772 -5.982 5.346 753 HG2 MET 8 2HG MET 8 1.814 -3.978 4.414 754 HG3 MET 8 1HG MET 8 2.386 -3.495 5.995 755 HE1 MET 8 3HE MET 8 2.613 -5.717 3.010 756 HE2 MET 8 1HE MET 8 2.363 -7.068 4.127 757 HE3 MET 8 2HE MET 8 3.911 -6.867 3.314 758 H GLU 9 H GLU 9 -0.593 -5.332 8.593 759 HA GLU 9 HA GLU 9 -2.605 -7.209 7.901 760 HB2 GLU 9 2HB GLU 9 -1.827 -6.030 10.575 761 HB3 GLU 9 1HB GLU 9 -3.007 -7.325 10.376 762 HG2 GLU 9 2HG GLU 9 -1.285 -8.703 9.244 763 HG3 GLU 9 1HG GLU 9 -0.105 -7.425 9.503 764 H THR 10 H THR 10 -2.666 -3.865 9.075 765 HA THR 10 HA THR 10 -5.461 -3.782 9.540 766 HB THR 10 HB THR 10 -3.669 -1.530 8.647 767 HG1 THR 10 1HG THR 10 -3.114 -2.774 10.608 768 HG21 THR 10 3HG2 THR 10 -6.112 -1.093 8.458 769 HG22 THR 10 1HG2 THR 10 -5.355 -0.103 9.710 770 HG23 THR 10 2HG2 THR 10 -6.295 -1.523 10.162 771 H LEU 11 H LEU 11 -3.489 -3.126 6.620 772 HA LEU 11 HA LEU 11 -5.623 -2.243 4.993 773 HB2 LEU 11 2HB LEU 11 -3.259 -3.908 4.088 774 HB3 LEU 11 1HB LEU 11 -4.259 -2.874 3.077 775 HG LEU 11 HG LEU 11 -2.364 -2.002 5.265 776 HD11 LEU 11 1HD1 LEU 11 -1.259 -2.545 3.182 777 HD12 LEU 11 2HD1 LEU 11 -1.287 -0.792 3.369 778 HD13 LEU 11 3HD1 LEU 11 -2.424 -1.580 2.275 779 HD21 LEU 11 3HD2 LEU 11 -3.012 0.332 4.317 780 HD22 LEU 11 1HD2 LEU 11 -4.094 -0.422 5.483 781 HD23 LEU 11 2HD2 LEU 11 -4.476 -0.468 3.758 782 H ILE 12 H ILE 12 -4.301 -5.435 5.713 783 HA ILE 12 HA ILE 12 -6.028 -6.915 4.025 784 HB ILE 12 HB ILE 12 -4.649 -7.733 6.586 785 HG12 ILE 12 2HG1 ILE 12 -3.916 -8.292 3.701 786 HG13 ILE 12 1HG1 ILE 12 -3.216 -6.980 4.623 787 HG21 ILE 12 1HG2 ILE 12 -6.449 -9.272 6.201 788 HG22 ILE 12 2HG2 ILE 12 -4.978 -10.052 5.616 789 HG23 ILE 12 3HG2 ILE 12 -6.108 -9.330 4.471 790 HD11 ILE 12 3HD1 ILE 12 -1.977 -9.289 4.513 791 HD12 ILE 12 1HD1 ILE 12 -3.167 -9.776 5.723 792 HD13 ILE 12 2HD1 ILE 12 -2.069 -8.436 6.056 793 H ASN 13 H ASN 13 -6.357 -6.019 7.447 794 HA ASN 13 HA ASN 13 -8.731 -7.426 7.943 795 HB2 ASN 13 2HB ASN 13 -7.651 -4.904 9.196 796 HB3 ASN 13 1HB ASN 13 -9.010 -5.828 9.836 797 HD21 ASN 13 1HD2 ASN 13 -6.604 -5.500 11.353 798 HD22 ASN 13 2HD2 ASN 13 -5.842 -7.012 11.478 799 H VAL 14 H VAL 14 -8.279 -4.076 6.735 800 HA VAL 14 HA VAL 14 -11.108 -3.619 6.807 801 HB VAL 14 HB VAL 14 -10.707 -1.516 5.675 802 HG11 VAL 14 1HG1 VAL 14 -8.445 -2.013 7.627 803 HG12 VAL 14 2HG1 VAL 14 -10.125 -1.812 8.118 804 HG13 VAL 14 3HG1 VAL 14 -9.276 -0.488 7.318 805 HG21 VAL 14 3HG2 VAL 14 -7.820 -2.344 5.409 806 HG22 VAL 14 1HG2 VAL 14 -8.562 -0.865 4.820 807 HG23 VAL 14 2HG2 VAL 14 -8.966 -2.409 4.072 808 H PHE 15 H PHE 15 -8.820 -4.691 4.279 809 HA PHE 15 HA PHE 15 -10.707 -4.637 2.177 810 HB2 PHE 15 2HB PHE 15 -8.335 -4.956 1.672 811 HB3 PHE 15 1HB PHE 15 -8.379 -6.535 2.469 812 HD1 PHE 15 1HD PHE 15 -9.963 -4.560 -0.302 813 HD2 PHE 15 2HD PHE 15 -9.148 -8.446 1.339 814 HE1 PHE 15 1HE PHE 15 -10.936 -5.625 -2.328 815 HE2 PHE 15 2HE PHE 15 -10.085 -9.501 -0.695 816 HZ PHE 15 HZ PHE 15 -10.979 -8.093 -2.527 817 H HIS 16 H HIS 16 -9.893 -7.067 4.560 818 HA HIS 16 HA HIS 16 -11.747 -8.966 3.551 819 HB2 HIS 16 2HB HIS 16 -9.854 -9.623 5.036 820 HB3 HIS 16 1HB HIS 16 -10.624 -8.739 6.354 821 HD1 HIS 16 1HD HIS 16 -12.674 -9.805 7.475 822 HD2 HIS 16 2HD HIS 16 -11.241 -12.021 4.247 823 HE1 HIS 16 1HE HIS 16 -13.872 -12.035 7.547 824 HE2 HIS 16 2HE HIS 16 -13.010 -13.398 5.587 825 H ALA 17 H ALA 17 -11.923 -6.289 5.765 826 HA ALA 17 HA ALA 17 -14.373 -6.959 6.926 827 HB1 ALA 17 1HB ALA 17 -14.574 -4.666 7.541 828 HB2 ALA 17 2HB ALA 17 -13.537 -4.137 6.211 829 HB3 ALA 17 3HB ALA 17 -12.851 -5.036 7.576 830 H HIS 18 H HIS 18 -13.762 -4.941 3.956 831 HA HIS 18 HA HIS 18 -16.683 -4.988 3.607 832 HB2 HIS 18 2HB HIS 18 -16.398 -3.649 1.571 833 HB3 HIS 18 1HB HIS 18 -15.676 -2.913 2.992 834 HD1 HIS 18 1HD HIS 18 -14.560 -1.849 0.466 835 HD2 HIS 18 2HD HIS 18 -13.113 -5.256 2.262 836 HE1 HIS 18 1HE HIS 18 -12.188 -2.161 -0.389 837 HE2 HIS 18 2HE HIS 18 -11.354 -4.328 0.590 838 H SER 19 H SER 19 -13.944 -6.464 1.696 839 HA SER 19 HA SER 19 -15.704 -7.617 -0.181 840 HB2 SER 19 2HB SER 19 -13.245 -7.547 -0.500 841 HB3 SER 19 1HB SER 19 -13.075 -8.785 0.735 842 HG SER 19 HG SER 19 -13.524 -9.150 -1.834 843 H GLY 20 H GLY 20 -14.503 -8.722 2.954 844 HA2 GLY 20 2HA GLY 20 -15.767 -11.279 2.936 845 HA3 GLY 20 1HA GLY 20 -15.096 -10.472 4.322 846 H LYS 21 H LYS 21 -16.661 -8.135 4.345 847 HA LYS 21 HA LYS 21 -18.955 -9.044 5.700 848 HB2 LYS 21 2HB LYS 21 -18.003 -6.841 6.056 849 HB3 LYS 21 1HB LYS 21 -18.473 -6.342 4.432 850 HG2 LYS 21 2HG LYS 21 -20.845 -6.726 5.078 851 HG3 LYS 21 1HG LYS 21 -20.307 -7.167 6.697 852 HD2 LYS 21 2HD LYS 21 -20.920 -4.824 6.726 853 HD3 LYS 21 1HD LYS 21 -19.173 -4.937 6.869 854 HE2 LYS 21 2HE LYS 21 -20.108 -4.808 4.076 855 HE3 LYS 21 1HE LYS 21 -20.519 -3.376 5.023 856 HZ1 LYS 21 3HZ LYS 21 -18.208 -3.596 3.860 857 HZ2 LYS 21 1HZ LYS 21 -17.814 -4.477 5.255 858 HZ3 LYS 21 2HZ LYS 21 -18.345 -2.869 5.391 859 H GLU 22 H GLU 22 -18.618 -7.904 2.307 860 HA GLU 22 HA GLU 22 -21.293 -9.109 1.837 861 HB2 GLU 22 2HB GLU 22 -20.270 -6.536 0.702 862 HB3 GLU 22 1HB GLU 22 -21.726 -7.350 0.139 863 HG2 GLU 22 2HG GLU 22 -22.630 -7.232 2.452 864 HG3 GLU 22 1HG GLU 22 -21.197 -6.340 2.932 865 H GLY 23 H GLY 23 -21.699 -9.997 -0.201 866 HA2 GLY 23 2HA GLY 23 -21.203 -11.218 -2.080 867 HA3 GLY 23 1HA GLY 23 -20.045 -9.944 -2.435 868 H ASP 24 H ASP 24 -18.537 -11.345 -3.313 869 HA ASP 24 HA ASP 24 -17.556 -13.652 -1.935 870 HB2 ASP 24 2HB ASP 24 -16.414 -12.048 -4.227 871 HB3 ASP 24 1HB ASP 24 -15.723 -13.555 -3.637 872 H LYS 25 H LYS 25 -15.812 -13.872 -0.633 873 HA LYS 25 HA LYS 25 -15.032 -11.700 0.932 874 HB2 LYS 25 2HB LYS 25 -13.591 -14.332 0.602 875 HB3 LYS 25 1HB LYS 25 -13.381 -13.183 1.933 876 HG2 LYS 25 2HG LYS 25 -15.868 -13.436 2.442 877 HG3 LYS 25 1HG LYS 25 -15.918 -14.753 1.276 878 HD2 LYS 25 2HD LYS 25 -14.075 -14.668 3.686 879 HD3 LYS 25 1HD LYS 25 -15.605 -15.540 3.628 880 HE2 LYS 25 2HE LYS 25 -14.536 -16.588 1.432 881 HE3 LYS 25 1HE LYS 25 -13.027 -16.141 2.230 882 HZ1 LYS 25 3HZ LYS 25 -15.125 -17.581 3.711 883 HZ2 LYS 25 1HZ LYS 25 -13.456 -17.520 4.009 884 HZ3 LYS 25 2HZ LYS 25 -14.053 -18.431 2.704 885 H TYR 26 H TYR 26 -13.572 -13.022 -1.955 886 HA TYR 26 HA TYR 26 -11.288 -11.188 -1.621 887 HB2 TYR 26 2HB TYR 26 -11.632 -13.590 -3.415 888 HB3 TYR 26 1HB TYR 26 -10.193 -12.569 -3.353 889 HD1 TYR 26 2HD TYR 26 -8.907 -12.362 -1.209 890 HD2 TYR 26 1HD TYR 26 -12.051 -15.241 -1.733 891 HE1 TYR 26 2HE TYR 26 -8.079 -13.622 0.758 892 HE2 TYR 26 1HE TYR 26 -11.224 -16.501 0.237 893 HH TYR 26 HH TYR 26 -9.192 -15.261 2.484 894 H LYS 27 H LYS 27 -14.113 -10.492 -2.772 895 HA LYS 27 HA LYS 27 -12.933 -9.103 -5.098 896 HB2 LYS 27 2HB LYS 27 -14.291 -11.208 -5.849 897 HB3 LYS 27 1HB LYS 27 -15.693 -10.264 -5.389 898 HG2 LYS 27 2HG LYS 27 -15.421 -9.831 -7.692 899 HG3 LYS 27 1HG LYS 27 -14.733 -8.417 -6.895 900 HD2 LYS 27 2HD LYS 27 -12.486 -9.157 -7.268 901 HD3 LYS 27 1HD LYS 27 -13.003 -10.792 -7.655 902 HE2 LYS 27 2HE LYS 27 -14.310 -9.400 -9.586 903 HE3 LYS 27 1HE LYS 27 -12.891 -8.372 -9.355 904 HZ1 LYS 27 3HZ LYS 27 -11.459 -10.147 -9.827 905 HZ2 LYS 27 1HZ LYS 27 -12.667 -10.230 -11.014 906 HZ3 LYS 27 2HZ LYS 27 -12.697 -11.303 -9.698 907 H LEU 28 H LEU 28 -13.635 -7.019 -5.319 908 HA LEU 28 HA LEU 28 -15.595 -6.163 -3.295 909 HB2 LEU 28 2HB LEU 28 -13.161 -5.442 -3.169 910 HB3 LEU 28 1HB LEU 28 -13.479 -4.512 -4.591 911 HG LEU 28 HG LEU 28 -15.291 -3.290 -3.397 912 HD11 LEU 28 1HD1 LEU 28 -14.106 -4.607 -0.916 913 HD12 LEU 28 2HD1 LEU 28 -15.740 -4.864 -1.505 914 HD13 LEU 28 3HD1 LEU 28 -15.265 -3.291 -0.943 915 HD21 LEU 28 3HD2 LEU 28 -12.449 -3.244 -2.371 916 HD22 LEU 28 1HD2 LEU 28 -13.638 -2.022 -1.976 917 HD23 LEU 28 2HD2 LEU 28 -13.142 -2.258 -3.650 918 H SER 29 H SER 29 -17.419 -5.162 -3.882 919 HA SER 29 HA SER 29 -17.804 -4.533 -6.727 920 HB2 SER 29 2HB SER 29 -19.379 -6.153 -5.788 921 HB3 SER 29 1HB SER 29 -19.811 -5.019 -4.519 922 HG SER 29 HG SER 29 -21.091 -4.064 -5.880 923 H LYS 30 H LYS 30 -19.081 -2.574 -7.222 924 HA LYS 30 HA LYS 30 -17.969 -0.261 -6.221 925 HB2 LYS 30 2HB LYS 30 -19.387 -0.385 -8.258 926 HB3 LYS 30 1HB LYS 30 -20.801 -0.549 -7.216 927 HG2 LYS 30 2HG LYS 30 -20.177 1.646 -6.134 928 HG3 LYS 30 1HG LYS 30 -18.897 1.805 -7.334 929 HD2 LYS 30 2HD LYS 30 -20.827 3.019 -8.114 930 HD3 LYS 30 1HD LYS 30 -20.639 1.586 -9.126 931 HE2 LYS 30 2HE LYS 30 -22.551 0.607 -8.310 932 HE3 LYS 30 1HE LYS 30 -22.323 1.250 -6.677 933 HZ1 LYS 30 3HZ LYS 30 -23.283 3.244 -7.242 934 HZ2 LYS 30 1HZ LYS 30 -24.206 2.170 -8.174 935 HZ3 LYS 30 2HZ LYS 30 -22.967 3.074 -8.903 936 H LYS 31 H LYS 31 -20.992 -1.815 -5.260 937 HA LYS 31 HA LYS 31 -21.852 0.138 -3.470 938 HB2 LYS 31 2HB LYS 31 -23.273 -1.594 -2.556 939 HB3 LYS 31 1HB LYS 31 -23.152 -1.858 -4.299 940 HG2 LYS 31 2HG LYS 31 -21.264 -3.471 -3.838 941 HG3 LYS 31 1HG LYS 31 -21.635 -3.299 -2.124 942 HD2 LYS 31 2HD LYS 31 -23.930 -3.950 -2.602 943 HD3 LYS 31 1HD LYS 31 -23.467 -4.372 -4.242 944 HE2 LYS 31 2HE LYS 31 -21.752 -5.924 -3.281 945 HE3 LYS 31 1HE LYS 31 -22.368 -5.555 -1.670 946 HZ1 LYS 31 3HZ LYS 31 -23.325 -7.449 -3.460 947 HZ2 LYS 31 1HZ LYS 31 -24.508 -6.238 -3.369 948 HZ3 LYS 31 2HZ LYS 31 -23.983 -7.018 -1.955 949 H GLU 32 H GLU 32 -19.893 -2.789 -2.957 950 HA GLU 32 HA GLU 32 -19.561 -2.457 -0.188 951 HB2 GLU 32 2HB GLU 32 -17.651 -3.782 -2.128 952 HB3 GLU 32 1HB GLU 32 -17.653 -3.978 -0.373 953 HG2 GLU 32 2HG GLU 32 -20.004 -4.793 -0.520 954 HG3 GLU 32 1HG GLU 32 -19.874 -4.739 -2.267 955 H LEU 33 H LEU 33 -17.218 -1.391 -2.825 956 HA LEU 33 HA LEU 33 -15.472 -0.248 -0.889 957 HB2 LEU 33 2HB LEU 33 -14.908 1.523 -2.713 958 HB3 LEU 33 1HB LEU 33 -14.359 -0.095 -2.887 959 HG LEU 33 HG LEU 33 -16.962 0.010 -4.088 960 HD11 LEU 33 1HD1 LEU 33 -16.400 1.628 -5.957 961 HD12 LEU 33 2HD1 LEU 33 -15.043 2.195 -5.003 962 HD13 LEU 33 3HD1 LEU 33 -16.694 2.413 -4.409 963 HD21 LEU 33 3HD2 LEU 33 -15.409 -1.619 -4.885 964 HD22 LEU 33 1HD2 LEU 33 -14.128 -0.423 -5.072 965 HD23 LEU 33 2HD2 LEU 33 -15.477 -0.438 -6.192 966 H LYS 34 H LYS 34 -18.394 1.018 -2.429 967 HA LYS 34 HA LYS 34 -18.121 3.656 -1.591 968 HB2 LYS 34 2HB LYS 34 -20.009 2.808 -2.995 969 HB3 LYS 34 1HB LYS 34 -20.684 2.032 -1.566 970 HG2 LYS 34 2HG LYS 34 -21.845 4.088 -1.721 971 HG3 LYS 34 1HG LYS 34 -20.625 4.371 -0.481 972 HD2 LYS 34 2HD LYS 34 -19.182 5.494 -2.104 973 HD3 LYS 34 1HD LYS 34 -20.299 5.101 -3.403 974 HE2 LYS 34 2HE LYS 34 -20.361 7.335 -1.555 975 HE3 LYS 34 1HE LYS 34 -21.339 7.068 -2.995 976 HZ1 LYS 34 3HZ LYS 34 -21.939 5.579 -0.529 977 HZ2 LYS 34 1HZ LYS 34 -22.975 6.013 -1.800 978 HZ3 LYS 34 2HZ LYS 34 -22.462 7.188 -0.685 979 H GLU 35 H GLU 35 -19.046 0.734 0.182 980 HA GLU 35 HA GLU 35 -19.727 2.166 2.583 981 HB2 GLU 35 2HB GLU 35 -19.124 -0.748 2.067 982 HB3 GLU 35 1HB GLU 35 -19.685 -0.104 3.611 983 HG2 GLU 35 2HG GLU 35 -21.697 0.808 2.474 984 HG3 GLU 35 1HG GLU 35 -21.148 0.085 0.962 985 H LEU 36 H LEU 36 -16.787 0.355 1.499 986 HA LEU 36 HA LEU 36 -15.503 0.632 4.028 987 HB2 LEU 36 2HB LEU 36 -14.831 -0.970 2.148 988 HB3 LEU 36 1HB LEU 36 -13.978 0.402 1.423 989 HG LEU 36 HG LEU 36 -13.556 -0.535 4.312 990 HD11 LEU 36 1HD1 LEU 36 -11.387 -1.444 3.486 991 HD12 LEU 36 2HD1 LEU 36 -11.955 -1.195 1.848 992 HD13 LEU 36 3HD1 LEU 36 -12.793 -2.318 2.913 993 HD21 LEU 36 3HD2 LEU 36 -12.411 1.621 2.614 994 HD22 LEU 36 1HD2 LEU 36 -11.268 0.729 3.598 995 HD23 LEU 36 2HD2 LEU 36 -12.620 1.541 4.354 996 H LEU 37 H LEU 37 -15.093 2.611 1.016 997 HA LEU 37 HA LEU 37 -13.101 4.240 2.151 998 HB2 LEU 37 2HB LEU 37 -15.120 4.880 -0.006 999 HB3 LEU 37 1HB LEU 37 -13.883 6.018 0.510 1000 HG LEU 37 HG LEU 37 -13.345 4.579 -1.547 1001 HD11 LEU 37 1HD1 LEU 37 -11.350 4.270 0.705 1002 HD12 LEU 37 2HD1 LEU 37 -11.680 5.823 -0.061 1003 HD13 LEU 37 3HD1 LEU 37 -11.025 4.492 -1.014 1004 HD21 LEU 37 3HD2 LEU 37 -14.200 2.463 -0.545 1005 HD22 LEU 37 1HD2 LEU 37 -12.844 2.484 0.563 1006 HD23 LEU 37 2HD2 LEU 37 -12.563 2.330 -1.164 1007 H GLN 38 H GLN 38 -16.635 4.543 2.205 1008 HA GLN 38 HA GLN 38 -16.678 7.022 3.570 1009 HB2 GLN 38 2HB GLN 38 -18.717 4.798 3.441 1010 HB3 GLN 38 1HB GLN 38 -19.018 6.379 4.162 1011 HG2 GLN 38 2HG GLN 38 -18.519 7.477 2.031 1012 HG3 GLN 38 1HG GLN 38 -18.139 5.923 1.294 1013 HE21 GLN 38 1HE2 GLN 38 -20.211 7.554 0.222 1014 HE22 GLN 38 2HE2 GLN 38 -21.702 6.792 0.503 1015 H THR 39 H THR 39 -16.633 3.651 4.758 1016 HA THR 39 HA THR 39 -17.025 4.400 7.487 1017 HB THR 39 HB THR 39 -16.374 2.100 8.009 1018 HG1 THR 39 1HG THR 39 -15.010 1.200 6.730 1019 HG21 THR 39 3HG2 THR 39 -17.930 1.119 5.966 1020 HG22 THR 39 1HG2 THR 39 -18.386 2.822 5.974 1021 HG23 THR 39 2HG2 THR 39 -18.559 1.856 7.438 1022 H GLU 40 H GLU 40 -14.071 3.732 5.595 1023 HA GLU 40 HA GLU 40 -12.434 4.258 7.960 1024 HB2 GLU 40 2HB GLU 40 -11.697 3.467 5.147 1025 HB3 GLU 40 1HB GLU 40 -10.537 3.769 6.430 1026 HG2 GLU 40 2HG GLU 40 -12.755 1.715 6.622 1027 HG3 GLU 40 1HG GLU 40 -11.097 1.338 6.157 1028 H LEU 41 H LEU 41 -12.794 5.602 4.671 1029 HA LEU 41 HA LEU 41 -11.318 7.984 5.573 1030 HB2 LEU 41 2HB LEU 41 -12.082 7.218 2.752 1031 HB3 LEU 41 1HB LEU 41 -10.984 8.500 3.235 1032 HG LEU 41 HG LEU 41 -10.558 5.515 3.519 1033 HD11 LEU 41 1HD1 LEU 41 -10.104 7.038 1.354 1034 HD12 LEU 41 2HD1 LEU 41 -9.033 5.714 1.806 1035 HD13 LEU 41 3HD1 LEU 41 -8.611 7.374 2.224 1036 HD21 LEU 41 3HD2 LEU 41 -8.214 6.398 4.313 1037 HD22 LEU 41 1HD2 LEU 41 -9.529 6.266 5.478 1038 HD23 LEU 41 2HD2 LEU 41 -9.117 7.836 4.775 1039 H SER 42 H SER 42 -12.118 10.013 5.489 1040 HA SER 42 HA SER 42 -14.996 10.252 4.820 1041 HB2 SER 42 2HB SER 42 -13.349 11.321 7.049 1042 HB3 SER 42 1HB SER 42 -14.553 12.415 6.374 1043 HG SER 42 HG SER 42 -15.543 9.917 6.663 1044 H GLY 43 H GLY 43 -12.183 12.395 5.203 1045 HA2 GLY 43 2HA GLY 43 -13.022 14.383 3.443 1046 HA3 GLY 43 1HA GLY 43 -11.364 14.110 3.937 1047 H PHE 44 H PHE 44 -11.038 11.485 2.697 1048 HA PHE 44 HA PHE 44 -10.206 12.338 0.156 1049 HB2 PHE 44 2HB PHE 44 -10.670 9.568 1.257 1050 HB3 PHE 44 1HB PHE 44 -9.959 9.869 -0.327 1051 HD1 PHE 44 1HD PHE 44 -7.765 10.940 -0.556 1052 HD2 PHE 44 2HD PHE 44 -9.431 10.112 3.327 1053 HE1 PHE 44 1HE PHE 44 -5.550 11.325 0.486 1054 HE2 PHE 44 2HE PHE 44 -7.214 10.495 4.355 1055 HZ PHE 44 HZ PHE 44 -5.275 11.101 2.939 1056 H LEU 45 H LEU 45 -13.030 10.237 0.921 1057 HA LEU 45 HA LEU 45 -13.967 10.381 -1.811 1058 HB2 LEU 45 2HB LEU 45 -14.818 9.003 0.658 1059 HB3 LEU 45 1HB LEU 45 -16.155 9.524 -0.360 1060 HG LEU 45 HG LEU 45 -15.258 7.200 -0.861 1061 HD11 LEU 45 1HD1 LEU 45 -14.880 8.184 -3.458 1062 HD12 LEU 45 2HD1 LEU 45 -15.867 9.426 -2.676 1063 HD13 LEU 45 3HD1 LEU 45 -16.420 7.751 -2.718 1064 HD21 LEU 45 3HD2 LEU 45 -13.103 6.853 -1.517 1065 HD22 LEU 45 1HD2 LEU 45 -12.772 8.393 -0.729 1066 HD23 LEU 45 2HD2 LEU 45 -13.037 8.328 -2.476 1067 H ASP 46 H ASP 46 -14.746 11.995 1.196 1068 HA ASP 46 HA ASP 46 -17.033 13.340 0.331 1069 HB2 ASP 46 2HB ASP 46 -16.272 13.208 2.701 1070 HB3 ASP 46 1HB ASP 46 -14.997 14.364 2.319 1071 H ALA 47 H ALA 47 -13.653 13.976 -0.220 1072 HA ALA 47 HA ALA 47 -13.701 16.666 -0.882 1073 HB1 ALA 47 1HB ALA 47 -11.623 15.413 -0.707 1074 HB2 ALA 47 2HB ALA 47 -11.724 16.173 -2.296 1075 HB3 ALA 47 3HB ALA 47 -12.056 14.449 -2.119 1076 H GLN 48 H GLN 48 -14.804 13.896 -2.799 1077 HA GLN 48 HA GLN 48 -15.256 15.696 -5.092 1078 HB2 GLN 48 2HB GLN 48 -15.847 12.738 -4.901 1079 HB3 GLN 48 1HB GLN 48 -15.730 13.726 -6.359 1080 HG2 GLN 48 2HG GLN 48 -13.472 13.048 -4.454 1081 HG3 GLN 48 1HG GLN 48 -13.672 12.465 -6.105 1082 HE21 GLN 48 1HE2 GLN 48 -11.825 14.586 -4.458 1083 HE22 GLN 48 2HE2 GLN 48 -11.626 15.797 -5.632 1084 H LYS 49 H LYS 49 -17.104 16.789 -5.084 1085 HA LYS 49 HA LYS 49 -19.256 16.293 -3.359 1086 HB2 LYS 49 2HB LYS 49 -18.718 18.499 -4.326 1087 HB3 LYS 49 1HB LYS 49 -19.271 17.922 -5.898 1088 HG2 LYS 49 2HG LYS 49 -21.509 17.460 -4.923 1089 HG3 LYS 49 1HG LYS 49 -20.950 18.102 -3.378 1090 HD2 LYS 49 2HD LYS 49 -20.427 20.266 -4.536 1091 HD3 LYS 49 1HD LYS 49 -21.170 19.612 -5.996 1092 HE2 LYS 49 2HE LYS 49 -22.858 20.902 -4.861 1093 HE3 LYS 49 1HE LYS 49 -23.263 19.201 -4.635 1094 HZ1 LYS 49 3HZ LYS 49 -21.620 20.667 -2.666 1095 HZ2 LYS 49 1HZ LYS 49 -22.495 19.229 -2.454 1096 HZ3 LYS 49 2HZ LYS 49 -23.318 20.709 -2.604 1097 H ASP 50 H ASP 50 -18.863 15.394 -6.768 1098 HA ASP 50 HA ASP 50 -21.562 14.613 -7.124 1099 HB2 ASP 50 2HB ASP 50 -19.079 13.807 -8.638 1100 HB3 ASP 50 1HB ASP 50 -20.732 13.414 -9.123 1101 H VAL 51 H VAL 51 -22.589 12.681 -7.056 1102 HA VAL 51 HA VAL 51 -21.555 10.654 -5.291 1103 HB VAL 51 HB VAL 51 -23.642 9.532 -5.609 1104 HG11 VAL 51 1HG1 VAL 51 -23.538 12.018 -4.624 1105 HG12 VAL 51 2HG1 VAL 51 -25.058 11.135 -4.766 1106 HG13 VAL 51 3HG1 VAL 51 -24.617 12.328 -5.986 1107 HG21 VAL 51 3HG2 VAL 51 -23.952 11.253 -8.090 1108 HG22 VAL 51 1HG2 VAL 51 -25.240 10.262 -7.413 1109 HG23 VAL 51 2HG2 VAL 51 -23.775 9.501 -8.030 1110 H ASP 52 H ASP 52 -21.716 11.319 -8.645 1111 HA ASP 52 HA ASP 52 -21.210 8.790 -9.780 1112 HB2 ASP 52 2HB ASP 52 -20.502 11.583 -10.716 1113 HB3 ASP 52 1HB ASP 52 -20.302 10.133 -11.699 1114 H ALA 53 H ALA 53 -19.292 11.038 -8.038 1115 HA ALA 53 HA ALA 53 -16.733 10.596 -8.940 1116 HB1 ALA 53 1HB ALA 53 -15.976 11.279 -6.786 1117 HB2 ALA 53 2HB ALA 53 -17.493 10.793 -6.027 1118 HB3 ALA 53 3HB ALA 53 -17.459 12.178 -7.121 1119 H VAL 54 H VAL 54 -18.683 8.522 -6.772 1120 HA VAL 54 HA VAL 54 -16.596 6.745 -6.071 1121 HB VAL 54 HB VAL 54 -18.878 6.735 -5.011 1122 HG11 VAL 54 1HG1 VAL 54 -19.938 6.793 -7.440 1123 HG12 VAL 54 2HG1 VAL 54 -20.759 5.925 -6.146 1124 HG13 VAL 54 3HG1 VAL 54 -19.793 5.041 -7.327 1125 HG21 VAL 54 3HG2 VAL 54 -17.727 4.205 -6.207 1126 HG22 VAL 54 1HG2 VAL 54 -19.062 4.181 -5.060 1127 HG23 VAL 54 2HG2 VAL 54 -17.501 4.837 -4.574 1128 H ASP 55 H ASP 55 -18.861 6.789 -8.812 1129 HA ASP 55 HA ASP 55 -18.021 4.367 -9.991 1130 HB2 ASP 55 2HB ASP 55 -19.152 6.882 -11.210 1131 HB3 ASP 55 1HB ASP 55 -18.921 5.387 -12.107 1132 H LYS 56 H LYS 56 -16.925 7.717 -10.332 1133 HA LYS 56 HA LYS 56 -15.032 7.260 -12.371 1134 HB2 LYS 56 2HB LYS 56 -15.040 9.306 -10.138 1135 HB3 LYS 56 1HB LYS 56 -13.960 9.347 -11.533 1136 HG2 LYS 56 2HG LYS 56 -15.962 9.380 -13.029 1137 HG3 LYS 56 1HG LYS 56 -16.989 9.476 -11.597 1138 HD2 LYS 56 2HD LYS 56 -15.783 11.563 -10.927 1139 HD3 LYS 56 1HD LYS 56 -14.888 11.491 -12.444 1140 HE2 LYS 56 2HE LYS 56 -16.618 12.858 -13.116 1141 HE3 LYS 56 1HE LYS 56 -17.363 11.296 -13.452 1142 HZ1 LYS 56 3HZ LYS 56 -18.178 13.274 -11.627 1143 HZ2 LYS 56 1HZ LYS 56 -17.794 11.866 -10.763 1144 HZ3 LYS 56 2HZ LYS 56 -18.943 11.807 -12.013 1145 H VAL 57 H VAL 57 -14.842 6.995 -8.854 1146 HA VAL 57 HA VAL 57 -12.051 6.570 -8.714 1147 HB VAL 57 HB VAL 57 -14.290 5.815 -6.832 1148 HG11 VAL 57 1HG1 VAL 57 -12.346 5.639 -5.175 1149 HG12 VAL 57 2HG1 VAL 57 -11.287 5.558 -6.583 1150 HG13 VAL 57 3HG1 VAL 57 -12.508 4.311 -6.325 1151 HG21 VAL 57 3HG2 VAL 57 -13.680 7.790 -5.642 1152 HG22 VAL 57 1HG2 VAL 57 -13.684 8.274 -7.339 1153 HG23 VAL 57 2HG2 VAL 57 -12.158 7.940 -6.522 1154 H MET 58 H MET 58 -14.768 4.212 -8.815 1155 HA MET 58 HA MET 58 -12.959 2.008 -8.635 1156 HB2 MET 58 2HB MET 58 -14.757 0.650 -8.460 1157 HB3 MET 58 1HB MET 58 -15.529 2.169 -8.059 1158 HG2 MET 58 2HG MET 58 -17.018 1.486 -9.651 1159 HG3 MET 58 1HG MET 58 -15.849 2.185 -10.758 1160 HE1 MET 58 3HE MET 58 -16.835 -0.693 -8.674 1161 HE2 MET 58 1HE MET 58 -16.526 -2.164 -9.608 1162 HE3 MET 58 2HE MET 58 -17.852 -1.093 -10.056 1163 H LYS 59 H LYS 59 -14.363 3.600 -11.493 1164 HA LYS 59 HA LYS 59 -13.812 1.517 -13.296 1165 HB2 LYS 59 2HB LYS 59 -13.864 4.486 -13.845 1166 HB3 LYS 59 1HB LYS 59 -13.847 3.229 -15.083 1167 HG2 LYS 59 2HG LYS 59 -15.974 3.467 -12.964 1168 HG3 LYS 59 1HG LYS 59 -16.122 4.062 -14.614 1169 HD2 LYS 59 2HD LYS 59 -15.279 1.505 -15.093 1170 HD3 LYS 59 1HD LYS 59 -16.161 1.273 -13.581 1171 HE2 LYS 59 2HE LYS 59 -17.242 2.681 -16.013 1172 HE3 LYS 59 1HE LYS 59 -17.618 1.012 -15.575 1173 HZ1 LYS 59 3HZ LYS 59 -18.702 1.709 -13.622 1174 HZ2 LYS 59 1HZ LYS 59 -19.267 2.750 -14.836 1175 HZ3 LYS 59 2HZ LYS 59 -18.089 3.290 -13.738 1176 H GLU 60 H GLU 60 -11.638 4.118 -12.172 1177 HA GLU 60 HA GLU 60 -9.582 3.385 -14.025 1178 HB2 GLU 60 2HB GLU 60 -8.171 4.898 -12.872 1179 HB3 GLU 60 1HB GLU 60 -9.780 5.609 -12.779 1180 HG2 GLU 60 2HG GLU 60 -10.052 4.565 -10.523 1181 HG3 GLU 60 1HG GLU 60 -8.381 4.018 -10.610 1182 H LEU 61 H LEU 61 -10.459 2.417 -10.772 1183 HA LEU 61 HA LEU 61 -8.118 0.909 -10.227 1184 HB2 LEU 61 2HB LEU 61 -10.892 0.638 -9.075 1185 HB3 LEU 61 1HB LEU 61 -9.447 -0.115 -8.421 1186 HG LEU 61 HG LEU 61 -9.886 2.865 -8.697 1187 HD11 LEU 61 1HD1 LEU 61 -10.425 2.903 -6.427 1188 HD12 LEU 61 2HD1 LEU 61 -9.584 1.387 -6.100 1189 HD13 LEU 61 3HD1 LEU 61 -11.152 1.372 -6.907 1190 HD21 LEU 61 3HD2 LEU 61 -7.556 2.674 -8.766 1191 HD22 LEU 61 1HD2 LEU 61 -7.555 1.175 -7.828 1192 HD23 LEU 61 2HD2 LEU 61 -7.832 2.717 -7.040 1193 H ASP 62 H ASP 62 -11.171 0.068 -11.803 1194 HA ASP 62 HA ASP 62 -10.575 -2.729 -11.731 1195 HB2 ASP 62 2HB ASP 62 -12.866 -1.716 -12.110 1196 HB3 ASP 62 1HB ASP 62 -12.335 -1.360 -13.754 1197 H GLU 63 H GLU 63 -8.273 -2.449 -12.346 1198 HA GLU 63 HA GLU 63 -7.558 -1.746 -15.034 1199 HB2 GLU 63 2HB GLU 63 -5.876 -1.926 -13.219 1200 HB3 GLU 63 1HB GLU 63 -6.186 -3.661 -13.118 1201 HG2 GLU 63 2HG GLU 63 -5.519 -3.913 -15.478 1202 HG3 GLU 63 1HG GLU 63 -5.172 -2.197 -15.563 1203 H ASN 64 H ASN 64 -8.512 -4.504 -13.316 1204 HA ASN 64 HA ASN 64 -8.200 -6.540 -15.154 1205 HB2 ASN 64 2HB ASN 64 -8.570 -6.769 -12.771 1206 HB3 ASN 64 1HB ASN 64 -10.156 -6.046 -12.929 1207 HD21 ASN 64 1HD2 ASN 64 -8.388 -8.795 -14.481 1208 HD22 ASN 64 2HD2 ASN 64 -9.705 -9.860 -14.362 1209 H GLY 65 H GLY 65 -10.870 -4.254 -14.655 1210 HA2 GLY 65 2HA GLY 65 -12.453 -3.515 -16.177 1211 HA3 GLY 65 1HA GLY 65 -11.771 -4.612 -17.368 1212 H ASP 66 H ASP 66 -12.670 -6.014 -14.327 1213 HA ASP 66 HA ASP 66 -14.780 -7.499 -15.690 1214 HB2 ASP 66 2HB ASP 66 -14.767 -8.913 -13.679 1215 HB3 ASP 66 1HB ASP 66 -13.143 -8.716 -14.332 1216 H GLY 67 H GLY 67 -14.780 -4.610 -14.163 1217 HA2 GLY 67 2HA GLY 67 -16.674 -3.323 -13.644 1218 HA3 GLY 67 1HA GLY 67 -17.634 -4.802 -13.582 1219 H GLU 68 H GLU 68 -14.993 -5.555 -11.936 1220 HA GLU 68 HA GLU 68 -16.028 -4.645 -9.317 1221 HB2 GLU 68 2HB GLU 68 -14.682 -7.247 -10.023 1222 HB3 GLU 68 1HB GLU 68 -15.046 -6.736 -8.385 1223 HG2 GLU 68 2HG GLU 68 -16.831 -8.142 -8.892 1224 HG3 GLU 68 1HG GLU 68 -17.495 -6.541 -9.257 1225 H VAL 69 H VAL 69 -14.432 -4.491 -7.640 1226 HA VAL 69 HA VAL 69 -11.764 -3.755 -8.661 1227 HB VAL 69 HB VAL 69 -13.142 -2.958 -6.079 1228 HG11 VAL 69 1HG1 VAL 69 -11.297 -1.352 -5.848 1229 HG12 VAL 69 2HG1 VAL 69 -10.558 -2.001 -7.309 1230 HG13 VAL 69 3HG1 VAL 69 -10.699 -3.012 -5.864 1231 HG21 VAL 69 3HG2 VAL 69 -12.677 -1.444 -8.639 1232 HG22 VAL 69 1HG2 VAL 69 -13.222 -0.711 -7.130 1233 HG23 VAL 69 2HG2 VAL 69 -14.230 -1.908 -7.938 1234 H ASP 70 H ASP 70 -10.048 -5.075 -8.016 1235 HA ASP 70 HA ASP 70 -10.816 -7.232 -6.127 1236 HB2 ASP 70 2HB ASP 70 -9.129 -8.600 -7.055 1237 HB3 ASP 70 1HB ASP 70 -9.926 -7.830 -8.419 1238 H PHE 71 H PHE 71 -8.946 -8.079 -4.785 1239 HA PHE 71 HA PHE 71 -8.288 -6.236 -2.820 1240 HB2 PHE 71 2HB PHE 71 -8.199 -8.817 -2.862 1241 HB3 PHE 71 1HB PHE 71 -6.591 -8.626 -3.536 1242 HD1 PHE 71 1HD PHE 71 -6.465 -5.877 -1.551 1243 HD2 PHE 71 2HD PHE 71 -6.956 -10.117 -1.115 1244 HE1 PHE 71 1HE PHE 71 -5.530 -5.745 0.727 1245 HE2 PHE 71 2HE PHE 71 -6.033 -9.965 1.168 1246 HZ PHE 71 HZ PHE 71 -5.326 -7.791 2.079 1247 H GLN 72 H GLN 72 -6.303 -7.339 -5.592 1248 HA GLN 72 HA GLN 72 -3.985 -5.855 -4.916 1249 HB2 GLN 72 2HB GLN 72 -5.013 -6.775 -7.614 1250 HB3 GLN 72 1HB GLN 72 -3.401 -6.116 -7.331 1251 HG2 GLN 72 2HG GLN 72 -2.939 -7.908 -5.719 1252 HG3 GLN 72 1HG GLN 72 -4.545 -8.565 -5.947 1253 HE21 GLN 72 1HE2 GLN 72 -2.311 -10.175 -6.441 1254 HE22 GLN 72 2HE2 GLN 72 -2.187 -10.459 -8.104 1255 H GLU 73 H GLU 73 -6.849 -4.993 -6.839 1256 HA GLU 73 HA GLU 73 -5.937 -2.495 -7.782 1257 HB2 GLU 73 2HB GLU 73 -8.700 -3.547 -7.206 1258 HB3 GLU 73 1HB GLU 73 -8.393 -2.035 -8.042 1259 HG2 GLU 73 2HG GLU 73 -7.169 -3.303 -9.808 1260 HG3 GLU 73 1HG GLU 73 -7.567 -4.802 -8.983 1261 H TYR 74 H TYR 74 -7.758 -3.487 -4.926 1262 HA TYR 74 HA TYR 74 -8.218 -0.939 -3.775 1263 HB2 TYR 74 2HB TYR 74 -9.433 -2.995 -3.159 1264 HB3 TYR 74 1HB TYR 74 -7.957 -3.655 -2.460 1265 HD1 TYR 74 1HD TYR 74 -10.562 -1.051 -2.124 1266 HD2 TYR 74 2HD TYR 74 -7.110 -2.880 -0.342 1267 HE1 TYR 74 1HE TYR 74 -11.061 0.089 0.022 1268 HE2 TYR 74 2HE TYR 74 -7.606 -1.736 1.799 1269 HH TYR 74 HH TYR 74 -9.650 -0.783 2.933 1270 H VAL 75 H VAL 75 -5.708 -3.321 -3.479 1271 HA VAL 75 HA VAL 75 -4.251 -2.177 -1.373 1272 HB VAL 75 HB VAL 75 -3.967 -4.479 -3.033 1273 HG11 VAL 75 1HG1 VAL 75 -2.416 -3.431 -4.521 1274 HG12 VAL 75 2HG1 VAL 75 -1.504 -4.479 -3.444 1275 HG13 VAL 75 3HG1 VAL 75 -1.508 -2.749 -3.184 1276 HG21 VAL 75 3HG2 VAL 75 -2.432 -3.439 -0.654 1277 HG22 VAL 75 1HG2 VAL 75 -2.103 -5.011 -1.380 1278 HG23 VAL 75 2HG2 VAL 75 -3.695 -4.675 -0.697 1279 H VAL 76 H VAL 76 -3.883 -1.772 -4.921 1280 HA VAL 76 HA VAL 76 -1.783 0.139 -4.531 1281 HB VAL 76 HB VAL 76 -1.995 0.706 -6.868 1282 HG11 VAL 76 1HG1 VAL 76 -1.062 -1.571 -6.048 1283 HG12 VAL 76 2HG1 VAL 76 -1.430 -1.404 -7.765 1284 HG13 VAL 76 3HG1 VAL 76 -2.551 -2.256 -6.703 1285 HG21 VAL 76 3HG2 VAL 76 -3.795 -0.047 -8.259 1286 HG22 VAL 76 1HG2 VAL 76 -4.543 0.703 -6.851 1287 HG23 VAL 76 2HG2 VAL 76 -4.443 -1.047 -6.971 1288 H LEU 77 H LEU 77 -5.339 0.367 -4.667 1289 HA LEU 77 HA LEU 77 -5.526 3.154 -4.946 1290 HB2 LEU 77 2HB LEU 77 -7.543 1.853 -4.961 1291 HB3 LEU 77 1HB LEU 77 -7.233 1.237 -3.352 1292 HG LEU 77 HG LEU 77 -7.489 3.545 -2.434 1293 HD11 LEU 77 1HD1 LEU 77 -6.907 4.860 -4.430 1294 HD12 LEU 77 2HD1 LEU 77 -8.506 5.291 -3.843 1295 HD13 LEU 77 3HD1 LEU 77 -8.339 4.260 -5.251 1296 HD21 LEU 77 3HD2 LEU 77 -10.000 3.701 -3.077 1297 HD22 LEU 77 1HD2 LEU 77 -9.416 2.267 -2.231 1298 HD23 LEU 77 2HD2 LEU 77 -9.689 2.215 -3.975 1299 H VAL 78 H VAL 78 -5.317 1.297 -1.869 1300 HA VAL 78 HA VAL 78 -5.172 3.721 -0.361 1301 HB VAL 78 HB VAL 78 -4.530 2.371 1.577 1302 HG11 VAL 78 1HG1 VAL 78 -6.811 2.456 1.402 1303 HG12 VAL 78 2HG1 VAL 78 -6.568 0.713 1.309 1304 HG13 VAL 78 3HG1 VAL 78 -6.844 1.645 -0.166 1305 HG21 VAL 78 3HG2 VAL 78 -3.127 0.697 0.282 1306 HG22 VAL 78 1HG2 VAL 78 -4.632 -0.059 -0.238 1307 HG23 VAL 78 2HG2 VAL 78 -4.218 -0.004 1.468 1308 H ALA 79 H ALA 79 -2.689 1.593 -1.743 1309 HA ALA 79 HA ALA 79 -0.539 2.826 -0.296 1310 HB1 ALA 79 1HB ALA 79 -0.018 1.722 -3.007 1311 HB2 ALA 79 2HB ALA 79 -0.672 0.628 -1.797 1312 HB3 ALA 79 3HB ALA 79 0.839 1.463 -1.486 1313 H ALA 80 H ALA 80 -1.822 3.392 -3.565 1314 HA ALA 80 HA ALA 80 -0.025 5.466 -4.241 1315 HB1 ALA 80 1HB ALA 80 -2.789 4.769 -5.252 1316 HB2 ALA 80 2HB ALA 80 -1.235 4.379 -5.995 1317 HB3 ALA 80 3HB ALA 80 -1.798 6.053 -5.949 1318 H LEU 81 H LEU 81 -3.211 5.405 -2.650 1319 HA LEU 81 HA LEU 81 -3.413 8.254 -2.488 1320 HB2 LEU 81 2HB LEU 81 -4.803 5.967 -1.187 1321 HB3 LEU 81 1HB LEU 81 -4.896 7.540 -0.399 1322 HG LEU 81 HG LEU 81 -5.939 8.562 -2.276 1323 HD11 LEU 81 1HD1 LEU 81 -4.911 6.214 -3.829 1324 HD12 LEU 81 2HD1 LEU 81 -4.848 7.926 -4.222 1325 HD13 LEU 81 3HD1 LEU 81 -6.355 7.042 -4.389 1326 HD21 LEU 81 3HD2 LEU 81 -7.935 7.201 -2.681 1327 HD22 LEU 81 1HD2 LEU 81 -7.452 7.070 -0.991 1328 HD23 LEU 81 2HD2 LEU 81 -7.097 5.760 -2.118 1329 H THR 82 H THR 82 -1.800 5.795 -0.511 1330 HA THR 82 HA THR 82 -1.262 7.467 1.720 1331 HB THR 82 HB THR 82 0.431 5.204 0.643 1332 HG1 THR 82 1HG THR 82 -0.983 4.346 2.601 1333 HG21 THR 82 3HG2 THR 82 1.641 5.334 2.555 1334 HG22 THR 82 1HG2 THR 82 0.202 5.586 3.541 1335 HG23 THR 82 2HG2 THR 82 0.967 6.953 2.732 1336 H VAL 83 H VAL 83 0.762 6.732 -1.161 1337 HA VAL 83 HA VAL 83 2.824 8.541 -0.347 1338 HB VAL 83 HB VAL 83 3.282 6.825 -2.059 1339 HG11 VAL 83 1HG1 VAL 83 2.460 6.925 -4.261 1340 HG12 VAL 83 2HG1 VAL 83 1.862 8.570 -4.066 1341 HG13 VAL 83 3HG1 VAL 83 1.052 7.229 -3.281 1342 HG21 VAL 83 3HG2 VAL 83 3.688 9.486 -3.396 1343 HG22 VAL 83 1HG2 VAL 83 4.814 8.135 -3.237 1344 HG23 VAL 83 2HG2 VAL 83 4.462 9.158 -1.843 1345 H ALA 84 H ALA 84 -0.095 8.991 -2.300 1346 HA ALA 84 HA ALA 84 0.473 11.670 -3.069 1347 HB1 ALA 84 1HB ALA 84 -1.257 10.258 -4.145 1348 HB2 ALA 84 2HB ALA 84 -1.895 11.811 -3.603 1349 HB3 ALA 84 3HB ALA 84 -2.220 10.349 -2.670 1350 H CYS 85 H CHC 85 -0.855 10.179 -0.210 1351 HA CYS 85 HA CHC 85 -1.976 12.493 0.977 1352 HB2 CYS 85 2HB CHC 85 -2.499 10.179 1.723 1353 HB3 CYS 85 1HB CHC 85 -0.855 10.029 2.336 1354 H ASN 86 H ASN 86 1.140 10.798 1.553 1355 HA ASN 86 HA ASN 86 2.158 12.741 3.321 1356 HB2 ASN 86 2HB ASN 86 3.206 10.490 2.751 1357 HB3 ASN 86 1HB ASN 86 3.836 11.262 1.297 1358 HD21 ASN 86 1HD2 ASN 86 5.879 12.171 1.561 1359 HD22 ASN 86 2HD2 ASN 86 6.523 12.707 3.038 1360 H ASN 87 H ASN 87 2.196 12.524 -0.227 1361 HA ASN 87 HA ASN 87 3.787 14.818 -0.745 1362 HB2 ASN 87 2HB ASN 87 1.485 13.625 -2.315 1363 HB3 ASN 87 1HB ASN 87 2.596 14.845 -2.930 1364 HD21 ASN 87 1HD2 ASN 87 2.395 12.271 -4.165 1365 HD22 ASN 87 2HD2 ASN 87 3.852 11.439 -3.903 1366 H PHE 88 H PHE 88 0.284 14.480 -0.154 1367 HA PHE 88 HA PHE 88 -0.190 17.227 -0.668 1368 HB2 PHE 88 2HB PHE 88 -2.007 15.520 -0.571 1369 HB3 PHE 88 1HB PHE 88 -1.764 15.380 1.170 1370 HD1 PHE 88 1HD PHE 88 -2.837 17.646 -1.556 1371 HD2 PHE 88 2HD PHE 88 -2.530 17.086 2.691 1372 HE1 PHE 88 1HE PHE 88 -4.306 19.611 -1.192 1373 HE2 PHE 88 2HE PHE 88 -4.000 19.050 3.057 1374 HZ PHE 88 HZ PHE 88 -4.888 20.312 1.115 1375 H PHE 89 H PHE 89 0.664 15.466 2.319 1376 HA PHE 89 HA PHE 89 0.311 17.659 4.062 1377 HB2 PHE 89 2HB PHE 89 0.536 15.303 4.798 1378 HB3 PHE 89 1HB PHE 89 2.244 15.355 4.359 1379 HD1 PHE 89 2HD PHE 89 -0.332 16.737 6.635 1380 HD2 PHE 89 1HD PHE 89 3.858 16.522 5.714 1381 HE1 PHE 89 2HE PHE 89 0.202 17.759 8.830 1382 HE2 PHE 89 1HE PHE 89 4.393 17.544 7.910 1383 HZ PHE 89 HZ PHE 89 2.565 18.163 9.467 1384 H TRP 90 H TRP 90 3.461 16.360 2.823 1385 HA TRP 90 HA TRP 90 4.876 18.687 3.720 1386 HB2 TRP 90 2HB TRP 90 6.040 16.544 3.352 1387 HB3 TRP 90 1HB TRP 90 5.754 16.709 1.614 1388 HD1 TRP 90 HD TRP 90 6.726 18.977 0.467 1389 HE1 TRP 90 1HE TRP 90 8.861 20.294 0.958 1390 HE3 TRP 90 3HE TRP 90 7.771 17.188 5.125 1391 HZ2 TRP 90 2HZ TRP 90 10.799 20.549 3.064 1392 HZ3 TRP 90 3HZ TRP 90 9.772 17.984 6.353 1393 HH2 TRP 90 HH TRP 90 11.286 19.660 5.330 1394 H GLU 91 H GLU 91 3.655 17.640 0.613 1395 HA GLU 91 HA GLU 91 4.372 20.198 -0.621 1396 HB2 GLU 91 2HB GLU 91 3.568 17.505 -1.682 1397 HB3 GLU 91 1HB GLU 91 3.464 18.888 -2.701 1398 HG2 GLU 91 2HG GLU 91 5.923 17.843 -1.267 1399 HG3 GLU 91 1HG GLU 91 5.603 17.704 -2.989 1400 H ASN 92 H ASN 92 2.860 21.564 -1.541 1401 HA ASN 92 HA ASN 92 0.339 21.791 -0.347 1402 HB2 ASN 92 2HB ASN 92 1.336 22.895 -2.982 1403 HB3 ASN 92 1HB ASN 92 -0.155 23.398 -2.187 1404 HD21 ASN 92 1HD2 ASN 92 1.970 25.260 -2.648 1405 HD22 ASN 92 2HD2 ASN 92 2.621 25.708 -1.146 1406 H SER 93 H SER 93 1.376 20.135 -3.266 1407 HA SER 93 HA SER 93 -1.142 18.674 -3.337 1408 HB2 SER 93 2HB SER 93 -0.211 20.160 -5.799 1409 HB3 SER 93 1HB SER 93 -1.688 19.220 -5.610 1410 HG SER 93 HG SER 93 -1.669 21.671 -5.327 1411 H1 HCS 201 1HT CHC 85 1.930 -12.153 8.932 1412 H2 HCS 201 2HT CHC 85 3.400 -13.006 8.947 1413 H HCS 201 3HT CHC 85 2.305 -13.172 10.236 1414 HCA HCS 201 HH CHC 85 0.794 -14.400 8.977 1415 HB2 HCS 201 1HZ CHC 85 0.703 -13.087 6.979 1416 HB3 HCS 201 2HZ CHC 85 1.239 -14.692 6.481 1417 HG2 HCS 201 1HE CHC 85 3.574 -13.928 6.484 1418 HG3 HCS 201 2HE CHC 85 3.066 -12.334 7.043 1419 H1 HCS 201 1HT CHC 85 -3.921 12.741 7.316 1420 H2 HCS 201 2HT CHC 85 -5.344 13.580 6.918 1421 H HCS 201 3HT CHC 85 -4.587 13.844 8.417 1422 HCA HCS 201 HH CHC 85 -2.808 14.995 7.475 1423 HB2 HCS 201 1HZ CHC 85 -2.249 13.544 5.657 1424 HB3 HCS 201 2HZ CHC 85 -2.637 15.104 4.930 1425 HG2 HCS 201 1HE CHC 85 -4.910 14.320 4.426 1426 HG3 HCS 201 2HE CHC 85 -4.565 12.775 5.203 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -10.858 8.555 15.174 2 HA2 GLY 1 2HA GLY 1 -9.320 9.160 12.714 3 HA3 GLY 1 1HA GLY 1 -8.644 8.362 14.131 4 H SER 2 H SER 2 -8.622 7.383 11.417 5 HA SER 2 HA SER 2 -10.300 4.956 11.704 6 HB2 SER 2 2HB SER 2 -10.986 6.283 9.783 7 HB3 SER 2 1HB SER 2 -9.330 6.323 9.189 8 HG SER 2 HG SER 2 -10.569 3.869 9.760 9 H GLU 3 H GLU 3 -9.349 2.980 11.459 10 HA GLU 3 HA GLU 3 -6.593 2.732 11.985 11 HB2 GLU 3 2HB GLU 3 -8.608 0.727 10.965 12 HB3 GLU 3 1HB GLU 3 -6.980 0.308 11.490 13 HG2 GLU 3 2HG GLU 3 -7.456 1.301 13.704 14 HG3 GLU 3 1HG GLU 3 -9.102 1.651 13.180 15 H LEU 4 H LEU 4 -8.413 2.479 8.924 16 HA LEU 4 HA LEU 4 -6.257 1.471 7.375 17 HB2 LEU 4 2HB LEU 4 -8.772 1.726 6.794 18 HB3 LEU 4 1HB LEU 4 -8.344 3.370 6.336 19 HG LEU 4 HG LEU 4 -6.929 0.917 5.259 20 HD11 LEU 4 1HD1 LEU 4 -9.465 1.177 4.687 21 HD12 LEU 4 2HD1 LEU 4 -8.313 0.837 3.400 22 HD13 LEU 4 3HD1 LEU 4 -8.911 2.476 3.632 23 HD21 LEU 4 3HD2 LEU 4 -6.647 2.849 3.359 24 HD22 LEU 4 1HD2 LEU 4 -5.479 2.503 4.623 25 HD23 LEU 4 2HD2 LEU 4 -6.624 3.827 4.823 26 H GLU 5 H GLU 5 -7.400 4.741 8.114 27 HA GLU 5 HA GLU 5 -5.530 6.158 6.528 28 HB2 GLU 5 2HB GLU 5 -7.718 6.951 7.741 29 HB3 GLU 5 1HB GLU 5 -6.635 7.260 9.096 30 HG2 GLU 5 2HG GLU 5 -6.158 8.335 6.304 31 HG3 GLU 5 1HG GLU 5 -7.013 9.230 7.552 32 H THR 6 H THR 6 -5.531 5.011 9.867 33 HA THR 6 HA THR 6 -3.130 6.227 10.703 34 HB THR 6 HB THR 6 -4.239 3.545 11.576 35 HG1 THR 6 1HG THR 6 -5.744 4.653 12.490 36 HG21 THR 6 3HG2 THR 6 -3.003 3.941 13.613 37 HG22 THR 6 1HG2 THR 6 -2.536 5.553 13.071 38 HG23 THR 6 2HG2 THR 6 -1.888 4.128 12.259 39 H ALA 7 H ALA 7 -3.849 3.195 9.047 40 HA ALA 7 HA ALA 7 -1.224 2.146 9.057 41 HB1 ALA 7 1HB ALA 7 -2.016 0.622 7.396 42 HB2 ALA 7 2HB ALA 7 -3.293 1.730 6.897 43 HB3 ALA 7 3HB ALA 7 -3.379 0.935 8.469 44 H MET 8 H MET 8 -2.986 4.195 6.720 45 HA MET 8 HA MET 8 -0.957 4.324 4.748 46 HB2 MET 8 2HB MET 8 -3.042 6.358 5.605 47 HB3 MET 8 1HB MET 8 -2.056 6.509 4.153 48 HG2 MET 8 2HG MET 8 -2.955 4.362 3.319 49 HG3 MET 8 1HG MET 8 -3.949 4.219 4.753 50 HE1 MET 8 3HE MET 8 -2.789 6.225 2.013 51 HE2 MET 8 1HE MET 8 -3.764 7.694 2.049 52 HE3 MET 8 2HE MET 8 -4.216 6.353 0.998 53 H GLU 9 H GLU 9 -1.559 6.232 7.665 54 HA GLU 9 HA GLU 9 0.570 8.069 7.305 55 HB2 GLU 9 2HB GLU 9 -0.849 7.143 9.812 56 HB3 GLU 9 1HB GLU 9 0.317 8.467 9.762 57 HG2 GLU 9 2HG GLU 9 -1.097 9.626 8.085 58 HG3 GLU 9 1HG GLU 9 -2.278 8.326 8.201 59 H THR 10 H THR 10 0.348 4.840 8.749 60 HA THR 10 HA THR 10 2.880 4.894 10.003 61 HB THR 10 HB THR 10 1.406 2.509 8.872 62 HG1 THR 10 1HG THR 10 0.380 2.442 10.807 63 HG21 THR 10 3HG2 THR 10 3.544 2.815 10.995 64 HG22 THR 10 1HG2 THR 10 3.711 1.994 9.443 65 HG23 THR 10 2HG2 THR 10 2.657 1.322 10.689 66 H LEU 11 H LEU 11 1.805 3.852 6.758 67 HA LEU 11 HA LEU 11 4.346 2.918 5.914 68 HB2 LEU 11 2HB LEU 11 2.233 4.219 4.179 69 HB3 LEU 11 1HB LEU 11 3.497 3.119 3.646 70 HG LEU 11 HG LEU 11 1.136 2.463 5.417 71 HD11 LEU 11 1HD1 LEU 11 0.631 2.599 3.033 72 HD12 LEU 11 2HD1 LEU 11 0.566 0.923 3.578 73 HD13 LEU 11 3HD1 LEU 11 1.966 1.502 2.674 74 HD21 LEU 11 3HD2 LEU 11 2.789 1.099 6.341 75 HD22 LEU 11 1HD2 LEU 11 3.628 0.900 4.795 76 HD23 LEU 11 2HD2 LEU 11 2.103 0.070 5.084 77 H ILE 12 H ILE 12 2.761 6.085 5.717 78 HA ILE 12 HA ILE 12 4.849 7.369 4.287 79 HB ILE 12 HB ILE 12 2.856 8.541 6.238 80 HG12 ILE 12 2HG1 ILE 12 2.864 8.534 3.208 81 HG13 ILE 12 1HG1 ILE 12 1.953 7.390 4.173 82 HG21 ILE 12 1HG2 ILE 12 4.908 9.761 4.406 83 HG22 ILE 12 2HG2 ILE 12 4.533 10.171 6.081 84 HG23 ILE 12 3HG2 ILE 12 3.423 10.633 4.790 85 HD11 ILE 12 3HD1 ILE 12 1.651 10.340 4.656 86 HD12 ILE 12 1HD1 ILE 12 0.504 9.041 4.991 87 HD13 ILE 12 2HD1 ILE 12 0.777 9.571 3.329 88 H ASN 13 H ASN 13 4.240 7.110 7.772 89 HA ASN 13 HA ASN 13 6.391 8.691 8.615 90 HB2 ASN 13 2HB ASN 13 4.997 6.392 9.981 91 HB3 ASN 13 1HB ASN 13 6.130 7.482 10.778 92 HD21 ASN 13 1HD2 ASN 13 3.391 7.316 11.608 93 HD22 ASN 13 2HD2 ASN 13 2.633 8.788 11.235 94 H VAL 14 H VAL 14 6.289 5.151 8.012 95 HA VAL 14 HA VAL 14 8.985 4.862 8.950 96 HB VAL 14 HB VAL 14 8.907 2.564 8.234 97 HG11 VAL 14 1HG1 VAL 14 6.104 2.960 9.187 98 HG12 VAL 14 2HG1 VAL 14 7.409 3.593 10.189 99 HG13 VAL 14 3HG1 VAL 14 7.357 1.877 9.787 100 HG21 VAL 14 3HG2 VAL 14 6.437 3.393 6.694 101 HG22 VAL 14 1HG2 VAL 14 6.754 1.723 7.130 102 HG23 VAL 14 2HG2 VAL 14 7.877 2.588 6.085 103 H PHE 15 H PHE 15 7.561 5.153 5.667 104 HA PHE 15 HA PHE 15 9.997 4.713 4.293 105 HB2 PHE 15 2HB PHE 15 7.844 4.757 3.117 106 HB3 PHE 15 1HB PHE 15 7.689 6.482 3.467 107 HD1 PHE 15 1HD PHE 15 10.009 3.999 1.898 108 HD2 PHE 15 2HD PHE 15 8.665 8.072 2.057 109 HE1 PHE 15 1HE PHE 15 11.449 4.558 -0.037 110 HE2 PHE 15 2HE PHE 15 10.096 8.622 0.113 111 HZ PHE 15 HZ PHE 15 11.493 6.864 -0.935 112 H HIS 16 H HIS 16 8.441 7.644 5.480 113 HA HIS 16 HA HIS 16 10.530 9.376 4.698 114 HB2 HIS 16 2HB HIS 16 8.241 10.176 5.257 115 HB3 HIS 16 1HB HIS 16 8.533 9.743 6.942 116 HD1 HIS 16 1HD HIS 16 10.272 11.847 4.262 117 HD2 HIS 16 2HD HIS 16 9.567 11.859 8.371 118 HE1 HIS 16 1HE HIS 16 11.285 13.988 5.156 119 HE2 HIS 16 2HE HIS 16 10.863 14.011 7.660 120 H ALA 17 H ALA 17 9.963 7.423 7.547 121 HA ALA 17 HA ALA 17 11.845 8.615 9.217 122 HB1 ALA 17 1HB ALA 17 11.357 5.618 8.946 123 HB2 ALA 17 2HB ALA 17 10.318 6.720 9.870 124 HB3 ALA 17 3HB ALA 17 11.989 6.477 10.359 125 H HIS 18 H HIS 18 12.284 5.884 6.932 126 HA HIS 18 HA HIS 18 15.160 6.055 7.420 127 HB2 HIS 18 2HB HIS 18 13.452 4.285 5.734 128 HB3 HIS 18 1HB HIS 18 15.197 4.316 5.502 129 HD1 HIS 18 1HD HIS 18 16.485 2.815 7.005 130 HD2 HIS 18 2HD HIS 18 12.833 3.891 8.700 131 HE1 HIS 18 1HE HIS 18 16.364 1.653 9.250 132 HE2 HIS 18 2HE HIS 18 14.142 2.291 10.293 133 H SER 19 H SER 19 13.130 6.740 4.529 134 HA SER 19 HA SER 19 15.252 7.459 2.864 135 HB2 SER 19 2HB SER 19 12.960 7.215 2.033 136 HB3 SER 19 1HB SER 19 12.484 8.671 2.904 137 HG SER 19 HG SER 19 13.046 9.482 0.993 138 H GLY 20 H GLY 20 13.386 9.408 5.166 139 HA2 GLY 20 2HA GLY 20 14.824 11.811 4.552 140 HA3 GLY 20 1HA GLY 20 13.669 11.611 5.848 141 H LYS 21 H LYS 21 14.884 9.441 7.236 142 HA LYS 21 HA LYS 21 16.701 10.806 8.884 143 HB2 LYS 21 2HB LYS 21 15.464 8.878 9.635 144 HB3 LYS 21 1HB LYS 21 16.338 7.832 8.511 145 HG2 LYS 21 2HG LYS 21 18.431 8.346 9.709 146 HG3 LYS 21 1HG LYS 21 17.535 9.396 10.813 147 HD2 LYS 21 2HD LYS 21 17.777 7.210 11.846 148 HD3 LYS 21 1HD LYS 21 16.090 7.439 11.416 149 HE2 LYS 21 2HE LYS 21 17.820 6.176 9.348 150 HE3 LYS 21 1HE LYS 21 17.482 5.210 10.784 151 HZ1 LYS 21 3HZ LYS 21 15.231 5.233 10.385 152 HZ2 LYS 21 1HZ LYS 21 15.854 5.137 8.810 153 HZ3 LYS 21 2HZ LYS 21 15.297 6.626 9.412 154 H GLU 22 H GLU 22 17.432 8.511 6.218 155 HA GLU 22 HA GLU 22 20.254 9.410 6.476 156 HB2 GLU 22 2HB GLU 22 19.927 7.106 7.322 157 HB3 GLU 22 1HB GLU 22 19.344 6.631 5.727 158 HG2 GLU 22 2HG GLU 22 21.501 7.383 4.743 159 HG3 GLU 22 1HG GLU 22 22.083 7.766 6.363 160 H GLY 23 H GLY 23 21.400 9.841 4.694 161 HA2 GLY 23 2HA GLY 23 21.904 10.273 2.499 162 HA3 GLY 23 1HA GLY 23 20.760 9.011 2.071 163 H ASP 24 H ASP 24 20.015 10.144 0.304 164 HA ASP 24 HA ASP 24 18.996 12.800 0.416 165 HB2 ASP 24 2HB ASP 24 18.506 10.539 -1.538 166 HB3 ASP 24 1HB ASP 24 17.937 12.191 -1.770 167 H LYS 25 H LYS 25 16.861 13.502 0.573 168 HA LYS 25 HA LYS 25 15.135 11.744 2.121 169 HB2 LYS 25 2HB LYS 25 14.620 14.585 1.179 170 HB3 LYS 25 1HB LYS 25 13.754 13.703 2.449 171 HG2 LYS 25 2HG LYS 25 15.960 13.510 3.713 172 HG3 LYS 25 1HG LYS 25 16.672 14.601 2.531 173 HD2 LYS 25 2HD LYS 25 14.251 15.233 4.249 174 HD3 LYS 25 1HD LYS 25 15.888 15.817 4.543 175 HE2 LYS 25 2HE LYS 25 14.009 16.527 2.299 176 HE3 LYS 25 1HE LYS 25 14.907 17.601 3.371 177 HZ1 LYS 25 3HZ LYS 25 15.876 17.513 1.152 178 HZ2 LYS 25 1HZ LYS 25 16.107 15.839 1.303 179 HZ3 LYS 25 2HZ LYS 25 16.955 16.907 2.318 180 H TYR 26 H TYR 26 12.984 11.208 1.484 181 HA TYR 26 HA TYR 26 11.373 10.486 0.038 182 HB2 TYR 26 2HB TYR 26 12.336 12.817 -1.625 183 HB3 TYR 26 1HB TYR 26 10.833 11.926 -1.881 184 HD1 TYR 26 2HD TYR 26 9.096 11.869 -0.069 185 HD2 TYR 26 1HD TYR 26 12.514 14.464 0.103 186 HE1 TYR 26 2HE TYR 26 7.979 13.222 1.681 187 HE2 TYR 26 1HE TYR 26 11.397 15.816 1.858 188 HH TYR 26 HH TYR 26 8.048 15.238 2.763 189 H LYS 27 H LYS 27 14.432 9.863 -0.388 190 HA LYS 27 HA LYS 27 13.876 8.117 -2.677 191 HB2 LYS 27 2HB LYS 27 15.266 10.171 -3.489 192 HB3 LYS 27 1HB LYS 27 16.568 9.483 -2.538 193 HG2 LYS 27 2HG LYS 27 16.879 8.635 -4.741 194 HG3 LYS 27 1HG LYS 27 16.150 7.307 -3.837 195 HD2 LYS 27 2HD LYS 27 14.006 7.663 -4.819 196 HD3 LYS 27 1HD LYS 27 14.421 9.253 -5.409 197 HE2 LYS 27 2HE LYS 27 16.244 7.882 -6.777 198 HE3 LYS 27 1HE LYS 27 15.093 6.566 -6.510 199 HZ1 LYS 27 3HZ LYS 27 14.929 8.731 -8.312 200 HZ2 LYS 27 1HZ LYS 27 13.613 8.781 -7.243 201 HZ3 LYS 27 2HZ LYS 27 13.906 7.383 -8.163 202 H LEU 28 H LEU 28 14.554 6.070 -2.175 203 HA LEU 28 HA LEU 28 16.019 5.810 0.379 204 HB2 LEU 28 2HB LEU 28 13.597 5.073 0.013 205 HB3 LEU 28 1HB LEU 28 14.237 3.820 -1.006 206 HG LEU 28 HG LEU 28 15.501 2.857 0.865 207 HD11 LEU 28 1HD1 LEU 28 16.043 4.567 2.392 208 HD12 LEU 28 2HD1 LEU 28 14.716 3.756 3.205 209 HD13 LEU 28 3HD1 LEU 28 14.419 5.263 2.350 210 HD21 LEU 28 3HD2 LEU 28 12.592 3.395 1.600 211 HD22 LEU 28 1HD2 LEU 28 13.556 2.026 2.135 212 HD23 LEU 28 2HD2 LEU 28 13.111 2.185 0.432 213 H SER 29 H SER 29 18.065 5.044 0.265 214 HA SER 29 HA SER 29 18.984 3.898 -2.227 215 HB2 SER 29 2HB SER 29 21.211 4.120 -1.343 216 HB3 SER 29 1HB SER 29 20.323 5.606 -1.014 217 HG SER 29 HG SER 29 19.843 4.612 1.072 218 H LYS 30 H LYS 30 20.462 1.924 -2.141 219 HA LYS 30 HA LYS 30 19.042 -0.321 -1.330 220 HB2 LYS 30 2HB LYS 30 20.925 -0.312 -2.956 221 HB3 LYS 30 1HB LYS 30 22.032 -0.143 -1.593 222 HG2 LYS 30 2HG LYS 30 21.071 -2.263 -0.625 223 HG3 LYS 30 1HG LYS 30 20.121 -2.441 -2.098 224 HD2 LYS 30 2HD LYS 30 22.113 -3.755 -2.384 225 HD3 LYS 30 1HD LYS 30 22.282 -2.321 -3.400 226 HE2 LYS 30 2HE LYS 30 23.283 -1.889 -0.648 227 HE3 LYS 30 1HE LYS 30 24.146 -3.166 -1.519 228 HZ1 LYS 30 3HZ LYS 30 25.137 -1.669 -2.789 229 HZ2 LYS 30 1HZ LYS 30 24.479 -0.451 -1.810 230 HZ3 LYS 30 2HZ LYS 30 23.660 -0.944 -3.215 231 H LYS 31 H LYS 31 21.848 1.167 0.238 232 HA LYS 31 HA LYS 31 22.063 -0.684 2.320 233 HB2 LYS 31 2HB LYS 31 23.441 0.986 3.406 234 HB3 LYS 31 1HB LYS 31 23.758 1.047 1.669 235 HG2 LYS 31 2HG LYS 31 22.054 2.894 1.503 236 HG3 LYS 31 1HG LYS 31 21.980 2.892 3.264 237 HD2 LYS 31 2HD LYS 31 24.386 3.234 3.322 238 HD3 LYS 31 1HD LYS 31 24.399 3.478 1.585 239 HE2 LYS 31 2HE LYS 31 22.611 5.071 3.436 240 HE3 LYS 31 1HE LYS 31 24.253 5.592 3.054 241 HZ1 LYS 31 3HZ LYS 31 22.688 4.826 0.758 242 HZ2 LYS 31 1HZ LYS 31 23.665 6.191 0.999 243 HZ3 LYS 31 2HZ LYS 31 22.072 6.172 1.589 244 H GLU 32 H GLU 32 20.415 2.451 2.139 245 HA GLU 32 HA GLU 32 19.390 2.489 4.757 246 HB2 GLU 32 2HB GLU 32 18.242 3.680 2.221 247 HB3 GLU 32 1HB GLU 32 17.710 4.083 3.857 248 HG2 GLU 32 2HG GLU 32 19.993 4.825 4.416 249 HG3 GLU 32 1HG GLU 32 20.509 4.461 2.783 250 H LEU 33 H LEU 33 17.736 1.296 1.731 251 HA LEU 33 HA LEU 33 15.405 0.608 3.178 252 HB2 LEU 33 2HB LEU 33 14.888 -1.023 1.323 253 HB3 LEU 33 1HB LEU 33 15.033 0.654 0.886 254 HG LEU 33 HG LEU 33 17.612 -0.184 0.500 255 HD11 LEU 33 1HD1 LEU 33 17.565 -2.309 -0.689 256 HD12 LEU 33 2HD1 LEU 33 15.820 -2.418 -0.532 257 HD13 LEU 33 3HD1 LEU 33 16.850 -2.572 0.896 258 HD21 LEU 33 3HD2 LEU 33 16.691 -0.413 -1.999 259 HD22 LEU 33 1HD2 LEU 33 16.680 1.152 -1.178 260 HD23 LEU 33 2HD2 LEU 33 15.208 0.187 -1.274 261 H LYS 34 H LYS 34 18.436 -1.088 2.618 262 HA LYS 34 HA LYS 34 17.600 -3.596 3.550 263 HB2 LYS 34 2HB LYS 34 19.894 -3.108 2.668 264 HB3 LYS 34 1HB LYS 34 20.237 -2.222 4.147 265 HG2 LYS 34 2HG LYS 34 21.148 -4.364 4.534 266 HG3 LYS 34 1HG LYS 34 19.611 -4.391 5.392 267 HD2 LYS 34 2HD LYS 34 18.559 -5.580 3.528 268 HD3 LYS 34 1HD LYS 34 20.046 -5.459 2.594 269 HE2 LYS 34 2HE LYS 34 19.316 -7.379 4.675 270 HE3 LYS 34 1HE LYS 34 20.604 -7.470 3.479 271 HZ1 LYS 34 3HZ LYS 34 22.057 -6.301 4.851 272 HZ2 LYS 34 1HZ LYS 34 21.270 -7.366 5.909 273 HZ3 LYS 34 2HZ LYS 34 20.814 -5.730 5.858 274 H GLU 35 H GLU 35 18.401 -0.579 5.249 275 HA GLU 35 HA GLU 35 18.257 -1.773 7.863 276 HB2 GLU 35 2HB GLU 35 18.193 1.105 6.952 277 HB3 GLU 35 1HB GLU 35 18.272 0.591 8.637 278 HG2 GLU 35 2HG GLU 35 20.357 -0.660 8.141 279 HG3 GLU 35 1HG GLU 35 20.296 -0.070 6.481 280 H LEU 36 H LEU 36 15.963 0.114 5.862 281 HA LEU 36 HA LEU 36 14.014 0.436 7.894 282 HB2 LEU 36 2HB LEU 36 14.203 1.607 5.599 283 HB3 LEU 36 1HB LEU 36 13.367 0.202 4.955 284 HG LEU 36 HG LEU 36 12.296 2.085 7.120 285 HD11 LEU 36 1HD1 LEU 36 11.129 3.152 5.503 286 HD12 LEU 36 2HD1 LEU 36 10.874 1.699 4.547 287 HD13 LEU 36 3HD1 LEU 36 12.403 2.560 4.438 288 HD21 LEU 36 3HD2 LEU 36 11.251 0.073 7.650 289 HD22 LEU 36 1HD2 LEU 36 11.296 -0.526 5.996 290 HD23 LEU 36 2HD2 LEU 36 10.141 0.717 6.453 291 H LEU 37 H LEU 37 14.317 -2.102 5.339 292 HA LEU 37 HA LEU 37 11.927 -3.436 6.104 293 HB2 LEU 37 2HB LEU 37 14.368 -4.414 4.621 294 HB3 LEU 37 1HB LEU 37 12.998 -5.458 4.968 295 HG LEU 37 HG LEU 37 13.088 -4.228 2.672 296 HD11 LEU 37 1HD1 LEU 37 10.578 -3.987 4.353 297 HD12 LEU 37 2HD1 LEU 37 11.136 -5.482 3.605 298 HD13 LEU 37 3HD1 LEU 37 10.661 -4.114 2.596 299 HD21 LEU 37 3HD2 LEU 37 12.205 -2.004 2.618 300 HD22 LEU 37 1HD2 LEU 37 13.549 -1.995 3.748 301 HD23 LEU 37 2HD2 LEU 37 11.900 -2.016 4.350 302 H GLN 38 H GLN 38 15.326 -3.954 7.064 303 HA GLN 38 HA GLN 38 14.803 -6.218 8.674 304 HB2 GLN 38 2HB GLN 38 17.020 -4.173 8.819 305 HB3 GLN 38 1HB GLN 38 16.982 -5.662 9.765 306 HG2 GLN 38 2HG GLN 38 16.903 -6.997 7.716 307 HG3 GLN 38 1HG GLN 38 16.863 -5.534 6.738 308 HE21 GLN 38 1HE2 GLN 38 18.962 -7.446 6.428 309 HE22 GLN 38 2HE2 GLN 38 20.410 -6.748 6.973 310 H THR 39 H THR 39 14.780 -2.755 9.393 311 HA THR 39 HA THR 39 14.393 -3.117 12.203 312 HB THR 39 HB THR 39 13.868 -0.729 12.234 313 HG1 THR 39 1HG THR 39 14.282 -0.433 9.530 314 HG21 THR 39 3HG2 THR 39 15.972 -0.108 10.623 315 HG22 THR 39 1HG2 THR 39 16.243 -1.835 10.847 316 HG23 THR 39 2HG2 THR 39 16.147 -0.767 12.247 317 H GLU 40 H GLU 40 12.248 -2.851 9.426 318 HA GLU 40 HA GLU 40 9.929 -2.869 11.231 319 HB2 GLU 40 2HB GLU 40 10.211 -2.269 8.293 320 HB3 GLU 40 1HB GLU 40 8.664 -2.410 9.105 321 HG2 GLU 40 2HG GLU 40 10.857 -0.450 9.818 322 HG3 GLU 40 1HG GLU 40 9.351 -0.056 8.994 323 H LEU 41 H LEU 41 10.786 -4.529 8.145 324 HA LEU 41 HA LEU 41 9.009 -6.725 8.984 325 HB2 LEU 41 2HB LEU 41 10.332 -6.296 6.300 326 HB3 LEU 41 1HB LEU 41 9.112 -7.500 6.682 327 HG LEU 41 HG LEU 41 8.737 -4.488 6.679 328 HD11 LEU 41 1HD1 LEU 41 8.807 -5.987 4.513 329 HD12 LEU 41 2HD1 LEU 41 7.524 -4.793 4.703 330 HD13 LEU 41 3HD1 LEU 41 7.205 -6.495 5.044 331 HD21 LEU 41 3HD2 LEU 41 6.974 -6.750 7.627 332 HD22 LEU 41 1HD2 LEU 41 6.253 -5.296 6.943 333 HD23 LEU 41 2HD2 LEU 41 7.257 -5.176 8.383 334 H SER 42 H SER 42 9.645 -8.804 9.256 335 HA SER 42 HA SER 42 12.581 -9.245 9.246 336 HB2 SER 42 2HB SER 42 11.258 -9.307 11.461 337 HB3 SER 42 1HB SER 42 10.618 -10.839 10.875 338 HG SER 42 HG SER 42 13.128 -10.186 11.789 339 H GLY 43 H GLY 43 9.561 -11.137 9.057 340 HA2 GLY 43 2HA GLY 43 10.661 -13.422 7.918 341 HA3 GLY 43 1HA GLY 43 8.976 -12.952 7.794 342 H PHE 44 H PHE 44 9.349 -10.555 6.199 343 HA PHE 44 HA PHE 44 9.352 -11.760 3.653 344 HB2 PHE 44 2HB PHE 44 9.560 -8.875 4.494 345 HB3 PHE 44 1HB PHE 44 9.427 -9.381 2.808 346 HD1 PHE 44 1HD PHE 44 7.404 -10.501 1.979 347 HD2 PHE 44 2HD PHE 44 7.682 -9.120 6.035 348 HE1 PHE 44 1HE PHE 44 4.950 -10.750 2.233 349 HE2 PHE 44 2HE PHE 44 5.229 -9.364 6.288 350 HZ PHE 44 HZ PHE 44 3.862 -10.180 4.387 351 H LEU 45 H LEU 45 11.847 -9.578 5.043 352 HA LEU 45 HA LEU 45 13.630 -10.106 2.846 353 HB2 LEU 45 2HB LEU 45 13.676 -8.392 5.249 354 HB3 LEU 45 1HB LEU 45 15.253 -9.005 4.761 355 HG LEU 45 HG LEU 45 14.573 -6.794 3.694 356 HD11 LEU 45 1HD1 LEU 45 14.976 -8.213 1.282 357 HD12 LEU 45 2HD1 LEU 45 15.740 -9.201 2.533 358 HD13 LEU 45 3HD1 LEU 45 16.213 -7.513 2.325 359 HD21 LEU 45 3HD2 LEU 45 12.715 -6.612 2.391 360 HD22 LEU 45 1HD2 LEU 45 12.156 -8.055 3.231 361 HD23 LEU 45 2HD2 LEU 45 12.943 -8.196 1.655 362 H ASP 46 H ASP 46 13.323 -11.327 6.108 363 HA ASP 46 HA ASP 46 15.750 -12.696 6.211 364 HB2 ASP 46 2HB ASP 46 14.253 -12.348 8.167 365 HB3 ASP 46 1HB ASP 46 13.151 -13.554 7.505 366 H ALA 47 H ALA 47 12.765 -13.468 4.602 367 HA ALA 47 HA ALA 47 12.984 -16.211 4.295 368 HB1 ALA 47 1HB ALA 47 11.718 -15.833 2.130 369 HB2 ALA 47 2HB ALA 47 11.870 -14.104 2.445 370 HB3 ALA 47 3HB ALA 47 10.989 -15.131 3.574 371 H GLN 48 H GLN 48 14.762 -13.662 2.567 372 HA GLN 48 HA GLN 48 15.934 -15.735 0.820 373 HB2 GLN 48 2HB GLN 48 16.505 -12.768 0.787 374 HB3 GLN 48 1HB GLN 48 16.845 -13.956 -0.471 375 HG2 GLN 48 2HG GLN 48 14.105 -13.046 0.453 376 HG3 GLN 48 1HG GLN 48 14.869 -12.697 -1.100 377 HE21 GLN 48 1HE2 GLN 48 12.497 -14.584 0.091 378 HE22 GLN 48 2HE2 GLN 48 12.664 -15.953 -0.900 379 H LYS 49 H LYS 49 17.705 -16.727 1.510 380 HA LYS 49 HA LYS 49 19.115 -16.015 3.823 381 HB2 LYS 49 2HB LYS 49 18.971 -18.306 2.922 382 HB3 LYS 49 1HB LYS 49 20.030 -17.829 1.596 383 HG2 LYS 49 2HG LYS 49 21.785 -17.212 3.243 384 HG3 LYS 49 1HG LYS 49 20.729 -17.757 4.547 385 HD2 LYS 49 2HD LYS 49 20.659 -20.019 3.464 386 HD3 LYS 49 1HD LYS 49 21.853 -19.449 2.298 387 HE2 LYS 49 2HE LYS 49 23.544 -19.297 3.899 388 HE3 LYS 49 1HE LYS 49 22.402 -19.151 5.236 389 HZ1 LYS 49 3HZ LYS 49 21.715 -21.500 4.636 390 HZ2 LYS 49 1HZ LYS 49 23.228 -21.315 5.378 391 HZ3 LYS 49 2HZ LYS 49 23.132 -21.571 3.701 392 H ASP 50 H ASP 50 19.959 -15.415 0.425 393 HA ASP 50 HA ASP 50 22.586 -14.512 1.022 394 HB2 ASP 50 2HB ASP 50 20.860 -14.054 -1.408 395 HB3 ASP 50 1HB ASP 50 22.559 -13.585 -1.274 396 H VAL 51 H VAL 51 23.462 -12.516 1.234 397 HA VAL 51 HA VAL 51 21.777 -10.402 2.225 398 HB VAL 51 HB VAL 51 23.795 -9.170 2.586 399 HG11 VAL 51 1HG1 VAL 51 23.384 -11.547 3.746 400 HG12 VAL 51 2HG1 VAL 51 24.816 -10.579 4.090 401 HG13 VAL 51 3HG1 VAL 51 24.912 -11.916 2.944 402 HG21 VAL 51 3HG2 VAL 51 25.980 -9.951 1.622 403 HG22 VAL 51 1HG2 VAL 51 24.842 -9.385 0.403 404 HG23 VAL 51 2HG2 VAL 51 25.090 -11.114 0.644 405 H ASP 52 H ASP 52 23.244 -11.357 -0.730 406 HA ASP 52 HA ASP 52 23.115 -8.983 -2.243 407 HB2 ASP 52 2HB ASP 52 22.922 -11.892 -3.066 408 HB3 ASP 52 1HB ASP 52 23.058 -10.553 -4.204 409 H ALA 53 H ALA 53 20.784 -11.252 -1.152 410 HA ALA 53 HA ALA 53 18.721 -11.071 -2.961 411 HB1 ALA 53 1HB ALA 53 18.785 -12.482 -0.905 412 HB2 ALA 53 2HB ALA 53 17.255 -11.635 -1.167 413 HB3 ALA 53 3HB ALA 53 18.402 -11.035 0.034 414 H VAL 54 H VAL 54 19.617 -8.723 -0.418 415 HA VAL 54 HA VAL 54 17.328 -7.087 -0.686 416 HB VAL 54 HB VAL 54 19.090 -6.877 1.114 417 HG11 VAL 54 1HG1 VAL 54 21.155 -5.839 0.654 418 HG12 VAL 54 2HG1 VAL 54 20.581 -5.167 -0.871 419 HG13 VAL 54 3HG1 VAL 54 20.937 -6.888 -0.744 420 HG21 VAL 54 3HG2 VAL 54 17.534 -5.104 1.060 421 HG22 VAL 54 1HG2 VAL 54 18.084 -4.546 -0.523 422 HG23 VAL 54 2HG2 VAL 54 19.078 -4.268 0.904 423 H ASP 55 H ASP 55 20.446 -7.129 -2.382 424 HA ASP 55 HA ASP 55 19.989 -4.847 -3.976 425 HB2 ASP 55 2HB ASP 55 22.194 -6.037 -3.693 426 HB3 ASP 55 1HB ASP 55 21.577 -7.303 -4.754 427 H LYS 56 H LYS 56 19.261 -8.281 -4.393 428 HA LYS 56 HA LYS 56 18.254 -8.136 -7.020 429 HB2 LYS 56 2HB LYS 56 17.512 -9.990 -4.745 430 HB3 LYS 56 1HB LYS 56 17.039 -10.228 -6.428 431 HG2 LYS 56 2HG LYS 56 19.454 -10.223 -7.065 432 HG3 LYS 56 1HG LYS 56 19.872 -10.116 -5.355 433 HD2 LYS 56 2HD LYS 56 18.599 -12.231 -4.957 434 HD3 LYS 56 1HD LYS 56 18.332 -12.358 -6.696 435 HE2 LYS 56 2HE LYS 56 20.911 -12.593 -5.163 436 HE3 LYS 56 1HE LYS 56 20.244 -13.680 -6.382 437 HZ1 LYS 56 3HZ LYS 56 21.648 -11.128 -6.731 438 HZ2 LYS 56 1HZ LYS 56 20.485 -11.579 -7.880 439 HZ3 LYS 56 2HZ LYS 56 21.822 -12.585 -7.589 440 H VAL 57 H VAL 57 16.702 -7.632 -3.873 441 HA VAL 57 HA VAL 57 14.052 -7.400 -4.851 442 HB VAL 57 HB VAL 57 15.367 -6.262 -2.374 443 HG11 VAL 57 1HG1 VAL 57 12.864 -6.238 -1.639 444 HG12 VAL 57 2HG1 VAL 57 12.528 -6.219 -3.370 445 HG13 VAL 57 3HG1 VAL 57 13.465 -4.916 -2.640 446 HG21 VAL 57 3HG2 VAL 57 15.178 -8.804 -2.709 447 HG22 VAL 57 1HG2 VAL 57 13.432 -8.577 -2.604 448 HG23 VAL 57 2HG2 VAL 57 14.460 -8.151 -1.234 449 H MET 58 H MET 58 16.548 -4.974 -4.131 450 HA MET 58 HA MET 58 14.910 -2.773 -4.837 451 HB2 MET 58 2HB MET 58 16.630 -1.426 -4.199 452 HB3 MET 58 1HB MET 58 17.065 -2.903 -3.351 453 HG2 MET 58 2HG MET 58 19.083 -2.416 -4.340 454 HG3 MET 58 1HG MET 58 18.375 -3.389 -5.618 455 HE1 MET 58 3HE MET 58 18.680 1.110 -5.239 456 HE2 MET 58 1HE MET 58 20.169 0.156 -5.186 457 HE3 MET 58 2HE MET 58 18.874 -0.157 -4.032 458 H LYS 59 H LYS 59 17.147 -4.705 -6.839 459 HA LYS 59 HA LYS 59 17.400 -2.831 -8.930 460 HB2 LYS 59 2HB LYS 59 17.363 -5.830 -9.092 461 HB3 LYS 59 1HB LYS 59 17.820 -4.744 -10.405 462 HG2 LYS 59 2HG LYS 59 19.325 -3.795 -8.239 463 HG3 LYS 59 1HG LYS 59 19.353 -5.545 -8.026 464 HD2 LYS 59 2HD LYS 59 19.981 -4.118 -10.587 465 HD3 LYS 59 1HD LYS 59 21.207 -4.718 -9.462 466 HE2 LYS 59 2HE LYS 59 19.933 -7.002 -9.714 467 HE3 LYS 59 1HE LYS 59 19.311 -6.285 -11.200 468 HZ1 LYS 59 3HZ LYS 59 21.280 -7.440 -11.754 469 HZ2 LYS 59 1HZ LYS 59 22.144 -6.752 -10.467 470 HZ3 LYS 59 2HZ LYS 59 21.673 -5.787 -11.784 471 H GLU 60 H GLU 60 14.871 -5.246 -8.291 472 HA GLU 60 HA GLU 60 13.435 -4.843 -10.703 473 HB2 GLU 60 2HB GLU 60 13.086 -6.767 -9.169 474 HB3 GLU 60 1HB GLU 60 12.368 -5.670 -7.992 475 HG2 GLU 60 2HG GLU 60 10.658 -5.024 -9.683 476 HG3 GLU 60 1HG GLU 60 11.343 -6.204 -10.792 477 H LEU 61 H LEU 61 13.303 -3.335 -7.534 478 HA LEU 61 HA LEU 61 11.028 -1.739 -8.051 479 HB2 LEU 61 2HB LEU 61 13.219 -1.326 -6.020 480 HB3 LEU 61 1HB LEU 61 11.665 -0.509 -6.022 481 HG LEU 61 HG LEU 61 12.102 -3.494 -5.711 482 HD11 LEU 61 1HD1 LEU 61 11.700 -3.206 -3.440 483 HD12 LEU 61 2HD1 LEU 61 10.828 -1.692 -3.682 484 HD13 LEU 61 3HD1 LEU 61 12.586 -1.729 -3.807 485 HD21 LEU 61 3HD2 LEU 61 9.556 -3.192 -5.018 486 HD22 LEU 61 1HD2 LEU 61 9.987 -3.444 -6.700 487 HD23 LEU 61 2HD2 LEU 61 9.636 -1.815 -6.095 488 H ASP 62 H ASP 62 14.472 -1.134 -8.571 489 HA ASP 62 HA ASP 62 14.016 1.661 -8.972 490 HB2 ASP 62 2HB ASP 62 16.237 0.665 -8.385 491 HB3 ASP 62 1HB ASP 62 16.334 0.056 -10.039 492 H GLU 63 H GLU 63 12.240 1.645 -10.360 493 HA GLU 63 HA GLU 63 12.198 0.623 -13.012 494 HB2 GLU 63 2HB GLU 63 10.179 1.247 -11.828 495 HB3 GLU 63 1HB GLU 63 10.778 2.897 -11.620 496 HG2 GLU 63 2HG GLU 63 10.782 3.231 -14.031 497 HG3 GLU 63 1HG GLU 63 10.165 1.579 -14.285 498 H ASN 64 H ASN 64 12.823 3.704 -11.617 499 HA ASN 64 HA ASN 64 13.139 5.338 -13.798 500 HB2 ASN 64 2HB ASN 64 14.409 5.250 -11.123 501 HB3 ASN 64 1HB ASN 64 14.412 6.695 -12.132 502 HD21 ASN 64 1HD2 ASN 64 11.786 6.791 -13.032 503 HD22 ASN 64 2HD2 ASN 64 10.709 6.851 -11.722 504 H GLY 65 H GLY 65 15.516 3.230 -12.239 505 HA2 GLY 65 2HA GLY 65 17.506 2.407 -13.228 506 HA3 GLY 65 1HA GLY 65 17.355 3.629 -14.497 507 H ASP 66 H ASP 66 16.609 5.023 -11.646 508 HA ASP 66 HA ASP 66 18.793 6.773 -11.522 509 HB2 ASP 66 2HB ASP 66 17.704 7.558 -9.453 510 HB3 ASP 66 1HB ASP 66 16.533 7.332 -10.750 511 H GLY 67 H GLY 67 18.143 3.734 -9.970 512 HA2 GLY 67 2HA GLY 67 19.885 2.324 -9.148 513 HA3 GLY 67 1HA GLY 67 20.840 3.761 -8.796 514 H GLU 68 H GLU 68 17.887 4.656 -7.827 515 HA GLU 68 HA GLU 68 18.158 3.437 -5.141 516 HB2 GLU 68 2HB GLU 68 17.072 6.194 -5.603 517 HB3 GLU 68 1HB GLU 68 17.458 5.438 -4.076 518 HG2 GLU 68 2HG GLU 68 19.365 6.430 -6.183 519 HG3 GLU 68 1HG GLU 68 19.148 7.028 -4.544 520 H VAL 69 H VAL 69 16.090 3.525 -3.913 521 HA VAL 69 HA VAL 69 13.875 2.809 -5.709 522 HB VAL 69 HB VAL 69 14.154 2.408 -2.723 523 HG11 VAL 69 1HG1 VAL 69 11.847 2.339 -3.400 524 HG12 VAL 69 2HG1 VAL 69 12.381 0.677 -3.148 525 HG13 VAL 69 3HG1 VAL 69 12.237 1.316 -4.784 526 HG21 VAL 69 3HG2 VAL 69 14.547 -0.009 -3.454 527 HG22 VAL 69 1HG2 VAL 69 15.880 1.118 -3.699 528 HG23 VAL 69 2HG2 VAL 69 14.863 0.644 -5.062 529 H ASP 70 H ASP 70 12.100 4.110 -5.843 530 HA ASP 70 HA ASP 70 12.130 6.564 -4.243 531 HB2 ASP 70 2HB ASP 70 11.990 6.740 -6.708 532 HB3 ASP 70 1HB ASP 70 10.447 5.923 -6.650 533 H PHE 71 H PHE 71 10.168 7.446 -3.406 534 HA PHE 71 HA PHE 71 8.910 5.875 -1.525 535 HB2 PHE 71 2HB PHE 71 8.973 8.428 -1.866 536 HB3 PHE 71 1HB PHE 71 7.607 8.204 -2.942 537 HD1 PHE 71 1HD PHE 71 6.816 5.728 -0.722 538 HD2 PHE 71 2HD PHE 71 7.321 9.988 -0.766 539 HE1 PHE 71 1HE PHE 71 5.283 5.925 1.204 540 HE2 PHE 71 2HE PHE 71 5.796 10.172 1.161 541 HZ PHE 71 HZ PHE 71 4.784 8.149 2.147 542 H GLN 72 H GLN 72 7.739 6.704 -4.810 543 HA GLN 72 HA GLN 72 5.270 5.320 -4.599 544 HB2 GLN 72 2HB GLN 72 6.982 5.939 -7.025 545 HB3 GLN 72 1HB GLN 72 5.329 5.327 -7.097 546 HG2 GLN 72 2HG GLN 72 4.534 7.288 -5.861 547 HG3 GLN 72 1HG GLN 72 6.168 7.903 -5.726 548 HE21 GLN 72 1HE2 GLN 72 4.186 9.460 -6.956 549 HE22 GLN 72 2HE2 GLN 72 4.511 9.563 -8.614 550 H GLU 73 H GLU 73 8.513 4.280 -5.625 551 HA GLU 73 HA GLU 73 7.793 1.687 -6.504 552 HB2 GLU 73 2HB GLU 73 10.387 2.758 -5.391 553 HB3 GLU 73 1HB GLU 73 10.216 1.204 -6.197 554 HG2 GLU 73 2HG GLU 73 9.411 2.386 -8.236 555 HG3 GLU 73 1HG GLU 73 9.666 3.927 -7.419 556 H TYR 74 H TYR 74 8.877 2.974 -3.402 557 HA TYR 74 HA TYR 74 9.015 0.546 -1.946 558 HB2 TYR 74 2HB TYR 74 10.041 2.712 -1.252 559 HB3 TYR 74 1HB TYR 74 8.433 3.347 -0.940 560 HD1 TYR 74 1HD TYR 74 11.007 0.957 0.145 561 HD2 TYR 74 2HD TYR 74 7.126 2.595 0.978 562 HE1 TYR 74 1HE TYR 74 11.077 -0.027 2.416 563 HE2 TYR 74 2HE TYR 74 7.195 1.598 3.250 564 HH TYR 74 HH TYR 74 8.662 0.717 4.823 565 H VAL 75 H VAL 75 6.536 2.911 -2.528 566 HA VAL 75 HA VAL 75 4.564 1.928 -0.785 567 HB VAL 75 HB VAL 75 4.750 4.089 -2.647 568 HG11 VAL 75 1HG1 VAL 75 2.472 4.051 -3.654 569 HG12 VAL 75 2HG1 VAL 75 2.355 2.355 -3.231 570 HG13 VAL 75 3HG1 VAL 75 3.580 2.888 -4.367 571 HG21 VAL 75 3HG2 VAL 75 2.660 3.250 -0.638 572 HG22 VAL 75 1HG2 VAL 75 2.550 4.755 -1.547 573 HG23 VAL 75 2HG2 VAL 75 3.918 4.480 -0.468 574 H VAL 76 H VAL 76 5.096 1.237 -4.274 575 HA VAL 76 HA VAL 76 2.908 -0.611 -4.286 576 HB VAL 76 HB VAL 76 3.669 -1.366 -6.439 577 HG11 VAL 76 1HG1 VAL 76 2.747 1.056 -6.003 578 HG12 VAL 76 2HG1 VAL 76 3.383 0.639 -7.594 579 HG13 VAL 76 3HG1 VAL 76 4.378 1.553 -6.461 580 HG21 VAL 76 3HG2 VAL 76 6.100 -1.518 -5.847 581 HG22 VAL 76 1HG2 VAL 76 6.182 0.233 -5.955 582 HG23 VAL 76 2HG2 VAL 76 5.809 -0.710 -7.387 583 H LEU 77 H LEU 77 6.367 -0.877 -3.507 584 HA LEU 77 HA LEU 77 6.532 -3.681 -3.503 585 HB2 LEU 77 2HB LEU 77 8.522 -2.363 -3.176 586 HB3 LEU 77 1HB LEU 77 7.869 -1.648 -1.710 587 HG LEU 77 HG LEU 77 7.857 -3.926 -0.654 588 HD11 LEU 77 1HD1 LEU 77 9.282 -4.709 -3.206 589 HD12 LEU 77 2HD1 LEU 77 7.767 -5.361 -2.602 590 HD13 LEU 77 3HD1 LEU 77 9.269 -5.680 -1.743 591 HD21 LEU 77 3HD2 LEU 77 10.363 -2.620 -1.648 592 HD22 LEU 77 1HD2 LEU 77 10.460 -4.086 -0.671 593 HD23 LEU 77 2HD2 LEU 77 9.680 -2.642 -0.020 594 H VAL 78 H VAL 78 5.654 -1.540 -0.739 595 HA VAL 78 HA VAL 78 5.095 -3.810 0.905 596 HB VAL 78 HB VAL 78 4.050 -2.292 2.507 597 HG11 VAL 78 1HG1 VAL 78 6.738 -1.815 1.333 598 HG12 VAL 78 2HG1 VAL 78 6.269 -2.274 2.975 599 HG13 VAL 78 3HG1 VAL 78 6.144 -0.592 2.462 600 HG21 VAL 78 3HG2 VAL 78 4.556 -0.063 0.505 601 HG22 VAL 78 1HG2 VAL 78 3.845 0.084 2.106 602 HG23 VAL 78 2HG2 VAL 78 2.971 -0.760 0.835 603 H ALA 79 H ALA 79 3.037 -1.800 -1.184 604 HA ALA 79 HA ALA 79 0.594 -2.922 -0.183 605 HB1 ALA 79 1HB ALA 79 -0.458 -1.636 -1.736 606 HB2 ALA 79 2HB ALA 79 0.724 -1.984 -3.002 607 HB3 ALA 79 3HB ALA 79 1.096 -0.821 -1.739 608 H ALA 80 H ALA 80 2.557 -3.697 -3.049 609 HA ALA 80 HA ALA 80 0.914 -5.797 -3.984 610 HB1 ALA 80 1HB ALA 80 3.049 -6.525 -5.169 611 HB2 ALA 80 2HB ALA 80 3.843 -5.161 -4.381 612 HB3 ALA 80 3HB ALA 80 2.506 -4.877 -5.498 613 H LEU 81 H LEU 81 3.688 -5.674 -1.741 614 HA LEU 81 HA LEU 81 3.741 -8.507 -1.367 615 HB2 LEU 81 2HB LEU 81 4.962 -6.190 0.051 616 HB3 LEU 81 1HB LEU 81 4.827 -7.711 0.927 617 HG LEU 81 HG LEU 81 6.144 -8.881 -0.679 618 HD11 LEU 81 1HD1 LEU 81 5.465 -8.239 -2.819 619 HD12 LEU 81 2HD1 LEU 81 7.055 -7.500 -2.711 620 HD13 LEU 81 3HD1 LEU 81 5.618 -6.523 -2.465 621 HD21 LEU 81 3HD2 LEU 81 7.368 -7.319 0.863 622 HD22 LEU 81 1HD2 LEU 81 7.418 -6.146 -0.452 623 HD23 LEU 81 2HD2 LEU 81 8.244 -7.693 -0.622 624 H THR 82 H THR 82 1.846 -5.892 0.075 625 HA THR 82 HA THR 82 0.849 -7.379 2.276 626 HB THR 82 HB THR 82 -0.605 -5.253 0.688 627 HG1 THR 82 1HG THR 82 0.360 -3.836 2.191 628 HG21 THR 82 3HG2 THR 82 -0.859 -6.372 3.472 629 HG22 THR 82 1HG2 THR 82 -2.097 -6.274 2.217 630 HG23 THR 82 2HG2 THR 82 -1.536 -4.807 3.021 631 H VAL 83 H VAL 83 -0.576 -6.827 -0.968 632 HA VAL 83 HA VAL 83 -2.778 -8.583 -0.501 633 HB VAL 83 HB VAL 83 -2.848 -6.940 -2.338 634 HG11 VAL 83 1HG1 VAL 83 -1.628 -7.199 -4.354 635 HG12 VAL 83 2HG1 VAL 83 -1.065 -8.807 -3.908 636 HG13 VAL 83 3HG1 VAL 83 -0.444 -7.386 -3.088 637 HG21 VAL 83 3HG2 VAL 83 -3.057 -9.634 -3.645 638 HG22 VAL 83 1HG2 VAL 83 -4.181 -8.274 -3.699 639 HG23 VAL 83 2HG2 VAL 83 -4.080 -9.274 -2.250 640 H ALA 84 H ALA 84 0.455 -9.146 -1.823 641 HA ALA 84 HA ALA 84 -0.006 -11.836 -2.604 642 HB1 ALA 84 1HB ALA 84 2.627 -10.712 -1.656 643 HB2 ALA 84 2HB ALA 84 1.955 -10.336 -3.243 644 HB3 ALA 84 3HB ALA 84 2.351 -12.003 -2.824 645 H CYS 85 H CHC 85 0.889 -10.276 0.399 646 HA CYS 85 HA CHC 85 1.672 -12.546 1.871 647 HB2 CYS 85 2HB CHC 85 2.023 -10.135 2.529 648 HB3 CYS 85 1HB CHC 85 0.314 -10.076 2.960 649 H ASN 86 H ASN 86 -1.452 -10.777 1.837 650 HA ASN 86 HA ASN 86 -2.778 -12.687 3.435 651 HB2 ASN 86 2HB ASN 86 -3.675 -10.408 2.746 652 HB3 ASN 86 1HB ASN 86 -4.105 -11.150 1.204 653 HD21 ASN 86 1HD2 ASN 86 -6.210 -10.203 2.802 654 HD22 ASN 86 2HD2 ASN 86 -7.057 -11.514 3.468 655 H ASN 87 H ASN 87 -2.195 -12.524 -0.063 656 HA ASN 87 HA ASN 87 -3.791 -14.718 -0.830 657 HB2 ASN 87 2HB ASN 87 -1.200 -13.694 -2.007 658 HB3 ASN 87 1HB ASN 87 -2.260 -14.866 -2.787 659 HD21 ASN 87 1HD2 ASN 87 -1.727 -12.324 -3.993 660 HD22 ASN 87 2HD2 ASN 87 -3.162 -11.417 -3.980 661 H PHE 88 H PHE 88 -0.432 -14.606 0.385 662 HA PHE 88 HA PHE 88 0.005 -17.393 -0.013 663 HB2 PHE 88 2HB PHE 88 1.416 -15.403 1.762 664 HB3 PHE 88 1HB PHE 88 1.876 -17.102 1.672 665 HD1 PHE 88 1HD PHE 88 2.139 -18.049 -0.796 666 HD2 PHE 88 2HD PHE 88 2.462 -13.909 0.283 667 HE1 PHE 88 1HE PHE 88 3.463 -17.616 -2.847 668 HE2 PHE 88 2HE PHE 88 3.767 -13.469 -1.774 669 HZ PHE 88 HZ PHE 88 4.271 -15.324 -3.339 670 H PHE 89 H PHE 89 -1.199 -15.491 2.737 671 HA PHE 89 HA PHE 89 -1.198 -17.621 4.592 672 HB2 PHE 89 2HB PHE 89 -1.521 -15.234 5.194 673 HB3 PHE 89 1HB PHE 89 -3.124 -15.291 4.461 674 HD1 PHE 89 2HD PHE 89 -1.010 -16.609 7.206 675 HD2 PHE 89 1HD PHE 89 -4.968 -16.394 5.549 676 HE1 PHE 89 2HE PHE 89 -1.941 -17.546 9.305 677 HE2 PHE 89 1HE PHE 89 -5.897 -17.331 7.648 678 HZ PHE 89 HZ PHE 89 -4.384 -17.907 9.526 679 H TRP 90 H TRP 90 -3.869 -16.398 2.539 680 HA TRP 90 HA TRP 90 -5.685 -18.465 3.277 681 HB2 TRP 90 2HB TRP 90 -6.472 -16.339 2.378 682 HB3 TRP 90 1HB TRP 90 -5.710 -16.721 0.828 683 HD1 TRP 90 HD TRP 90 -6.534 -18.946 -0.385 684 HE1 TRP 90 1HE TRP 90 -8.863 -20.044 -0.487 685 HE3 TRP 90 3HE TRP 90 -8.667 -16.753 3.676 686 HZ2 TRP 90 2HZ TRP 90 -11.322 -19.987 0.993 687 HZ3 TRP 90 3HZ TRP 90 -10.999 -17.288 4.320 688 HH2 TRP 90 HH TRP 90 -12.329 -18.902 2.987 689 H GLU 91 H GLU 91 -3.460 -18.063 0.610 690 HA GLU 91 HA GLU 91 -4.253 -20.679 -0.464 691 HB2 GLU 91 2HB GLU 91 -4.010 -18.347 -1.709 692 HB3 GLU 91 1HB GLU 91 -2.328 -18.850 -1.830 693 HG2 GLU 91 2HG GLU 91 -4.662 -20.598 -2.678 694 HG3 GLU 91 1HG GLU 91 -3.763 -19.561 -3.785 695 H ASN 92 H ASN 92 -2.869 -22.373 -0.661 696 HA ASN 92 HA ASN 92 -0.255 -22.113 0.692 697 HB2 ASN 92 2HB ASN 92 -1.971 -24.541 0.126 698 HB3 ASN 92 1HB ASN 92 -0.383 -24.591 0.889 699 HD21 ASN 92 1HD2 ASN 92 -2.721 -25.495 2.275 700 HD22 ASN 92 2HD2 ASN 92 -3.022 -24.429 3.562 701 H SER 93 H SER 93 1.614 -22.593 -0.349 702 HA SER 93 HA SER 93 1.575 -22.700 -3.222 703 HB2 SER 93 2HB SER 93 3.359 -21.474 -2.209 704 HB3 SER 93 1HB SER 93 3.796 -22.833 -1.177 705 HG SER 93 HG SER 93 5.012 -22.401 -3.257 706 H1 GLY 1 H GLY 1 6.860 -6.383 18.262 707 HA2 GLY 1 2HA GLY 1 5.932 -7.320 15.609 708 HA3 GLY 1 1HA GLY 1 4.955 -6.357 16.712 709 H SER 2 H SER 2 5.586 -5.734 13.967 710 HA SER 2 HA SER 2 7.188 -3.265 14.328 711 HB2 SER 2 2HB SER 2 8.285 -4.815 12.808 712 HB3 SER 2 1HB SER 2 6.815 -4.956 11.852 713 HG SER 2 HG SER 2 7.921 -2.430 12.379 714 H GLU 3 H GLU 3 6.350 -1.351 13.618 715 HA GLU 3 HA GLU 3 3.551 -1.080 13.446 716 HB2 GLU 3 2HB GLU 3 5.780 0.809 12.680 717 HB3 GLU 3 1HB GLU 3 4.082 1.265 12.750 718 HG2 GLU 3 2HG GLU 3 4.008 0.571 15.122 719 HG3 GLU 3 1HG GLU 3 5.726 0.182 15.048 720 H LEU 4 H LEU 4 6.044 -1.191 10.891 721 HA LEU 4 HA LEU 4 4.326 -0.424 8.764 722 HB2 LEU 4 2HB LEU 4 6.904 -0.711 8.826 723 HB3 LEU 4 1HB LEU 4 6.569 -2.407 8.494 724 HG LEU 4 HG LEU 4 5.485 -0.133 6.812 725 HD11 LEU 4 1HD1 LEU 4 8.080 -0.425 6.889 726 HD12 LEU 4 2HD1 LEU 4 7.267 -0.269 5.334 727 HD13 LEU 4 3HD1 LEU 4 7.770 -1.856 5.907 728 HD21 LEU 4 3HD2 LEU 4 5.628 -2.295 5.160 729 HD22 LEU 4 1HD2 LEU 4 4.200 -1.809 6.060 730 HD23 LEU 4 2HD2 LEU 4 5.247 -3.078 6.691 731 H GLU 5 H GLU 5 5.215 -3.554 10.160 732 HA GLU 5 HA GLU 5 3.748 -5.190 8.373 733 HB2 GLU 5 2HB GLU 5 5.578 -5.788 10.158 734 HB3 GLU 5 1HB GLU 5 4.203 -5.938 11.249 735 HG2 GLU 5 2HG GLU 5 4.378 -7.366 8.582 736 HG3 GLU 5 1HG GLU 5 4.902 -8.084 10.101 737 H THR 6 H THR 6 2.984 -3.627 11.446 738 HA THR 6 HA THR 6 0.436 -4.761 11.843 739 HB THR 6 HB THR 6 1.349 -1.973 12.603 740 HG1 THR 6 1HG THR 6 2.581 -2.934 13.979 741 HG21 THR 6 3HG2 THR 6 -0.339 -2.126 14.326 742 HG22 THR 6 1HG2 THR 6 -0.688 -3.801 13.900 743 HG23 THR 6 2HG2 THR 6 -1.106 -2.501 12.783 744 H ALA 7 H ALA 7 1.570 -1.957 10.026 745 HA ALA 7 HA ALA 7 -0.969 -0.954 9.289 746 HB1 ALA 7 1HB ALA 7 0.213 0.357 7.679 747 HB2 ALA 7 2HB ALA 7 1.554 -0.785 7.640 748 HB3 ALA 7 3HB ALA 7 1.283 0.203 9.073 749 H MET 8 H MET 8 1.260 -3.258 7.714 750 HA MET 8 HA MET 8 -0.250 -3.672 5.353 751 HB2 MET 8 2HB MET 8 1.548 -5.542 6.931 752 HB3 MET 8 1HB MET 8 0.930 -5.901 5.322 753 HG2 MET 8 2HG MET 8 2.025 -3.859 4.450 754 HG3 MET 8 1HG MET 8 2.658 -3.518 6.046 755 HE1 MET 8 3HE MET 8 2.142 -5.873 3.391 756 HE2 MET 8 1HE MET 8 3.061 -7.311 3.839 757 HE3 MET 8 2HE MET 8 3.765 -6.108 2.763 758 H GLU 9 H GLU 9 -0.381 -5.183 8.550 759 HA GLU 9 HA GLU 9 -2.391 -7.087 7.937 760 HB2 GLU 9 2HB GLU 9 -1.591 -5.823 10.566 761 HB3 GLU 9 1HB GLU 9 -2.730 -7.161 10.414 762 HG2 GLU 9 2HG GLU 9 -0.978 -8.500 9.278 763 HG3 GLU 9 1HG GLU 9 0.160 -7.176 9.501 764 H THR 10 H THR 10 -2.461 -3.719 9.002 765 HA THR 10 HA THR 10 -5.223 -3.624 9.593 766 HB THR 10 HB THR 10 -3.484 -1.384 8.543 767 HG1 THR 10 1HG THR 10 -2.942 -1.049 10.638 768 HG21 THR 10 3HG2 THR 10 -6.069 -1.445 10.123 769 HG22 THR 10 1HG2 THR 10 -5.850 -0.834 8.482 770 HG23 THR 10 2HG2 THR 10 -5.110 0.009 9.844 771 H LEU 11 H LEU 11 -3.398 -2.989 6.580 772 HA LEU 11 HA LEU 11 -5.656 -2.204 5.056 773 HB2 LEU 11 2HB LEU 11 -3.211 -3.673 4.043 774 HB3 LEU 11 1HB LEU 11 -4.306 -2.682 3.091 775 HG LEU 11 HG LEU 11 -2.430 -1.739 5.270 776 HD11 LEU 11 1HD1 LEU 11 -1.373 -2.199 3.107 777 HD12 LEU 11 2HD1 LEU 11 -1.403 -0.465 3.430 778 HD13 LEU 11 3HD1 LEU 11 -2.561 -1.172 2.302 779 HD21 LEU 11 3HD2 LEU 11 -4.250 -0.281 5.548 780 HD22 LEU 11 1HD2 LEU 11 -4.670 -0.327 3.832 781 HD23 LEU 11 2HD2 LEU 11 -3.252 0.566 4.371 782 H ILE 12 H ILE 12 -4.118 -5.348 5.638 783 HA ILE 12 HA ILE 12 -5.831 -6.835 3.931 784 HB ILE 12 HB ILE 12 -4.372 -7.718 6.429 785 HG12 ILE 12 2HG1 ILE 12 -3.666 -8.098 3.506 786 HG13 ILE 12 1HG1 ILE 12 -2.991 -6.827 4.504 787 HG21 ILE 12 1HG2 ILE 12 -5.954 -9.192 4.338 788 HG22 ILE 12 2HG2 ILE 12 -5.989 -9.380 6.091 789 HG23 ILE 12 3HG2 ILE 12 -4.614 -9.985 5.166 790 HD11 ILE 12 3HD1 ILE 12 -2.855 -9.685 5.418 791 HD12 ILE 12 1HD1 ILE 12 -1.801 -8.337 5.844 792 HD13 ILE 12 2HD1 ILE 12 -1.683 -9.079 4.246 793 H ASN 13 H ASN 13 -6.055 -6.125 7.399 794 HA ASN 13 HA ASN 13 -8.368 -7.618 7.908 795 HB2 ASN 13 2HB ASN 13 -7.298 -5.142 9.259 796 HB3 ASN 13 1HB ASN 13 -8.602 -6.140 9.901 797 HD21 ASN 13 1HD2 ASN 13 -6.134 -5.827 11.321 798 HD22 ASN 13 2HD2 ASN 13 -5.331 -7.323 11.328 799 H VAL 14 H VAL 14 -8.072 -4.183 6.902 800 HA VAL 14 HA VAL 14 -10.909 -3.817 7.134 801 HB VAL 14 HB VAL 14 -10.629 -1.629 6.170 802 HG11 VAL 14 1HG1 VAL 14 -8.135 -1.858 7.796 803 HG12 VAL 14 2HG1 VAL 14 -9.648 -2.376 8.537 804 HG13 VAL 14 3HG1 VAL 14 -9.477 -0.725 7.943 805 HG21 VAL 14 3HG2 VAL 14 -7.879 -2.609 5.371 806 HG22 VAL 14 1HG2 VAL 14 -8.264 -0.903 5.504 807 HG23 VAL 14 2HG2 VAL 14 -9.125 -1.911 4.344 808 H PHE 15 H PHE 15 -8.757 -4.503 4.343 809 HA PHE 15 HA PHE 15 -10.798 -4.279 2.391 810 HB2 PHE 15 2HB PHE 15 -8.428 -4.439 1.768 811 HB3 PHE 15 1HB PHE 15 -8.387 -6.104 2.363 812 HD1 PHE 15 1HD PHE 15 -10.234 -3.876 -0.011 813 HD2 PHE 15 2HD PHE 15 -9.027 -7.875 0.977 814 HE1 PHE 15 1HE PHE 15 -11.189 -4.698 -2.142 815 HE2 PHE 15 2HE PHE 15 -9.972 -8.689 -1.163 816 HZ PHE 15 HZ PHE 15 -11.056 -7.100 -2.725 817 H HIS 16 H HIS 16 -9.607 -7.010 4.274 818 HA HIS 16 HA HIS 16 -11.480 -8.861 3.250 819 HB2 HIS 16 2HB HIS 16 -9.398 -9.547 4.427 820 HB3 HIS 16 1HB HIS 16 -10.072 -8.908 5.927 821 HD1 HIS 16 1HD HIS 16 -11.165 -11.362 3.205 822 HD2 HIS 16 2HD HIS 16 -11.445 -10.839 7.332 823 HE1 HIS 16 1HE HIS 16 -12.392 -13.388 4.101 824 HE2 HIS 16 2HE HIS 16 -12.570 -13.084 6.617 825 H ALA 17 H ALA 17 -11.569 -6.550 5.877 826 HA ALA 17 HA ALA 17 -13.810 -7.549 7.198 827 HB1 ALA 17 1HB ALA 17 -13.224 -4.603 6.669 828 HB2 ALA 17 2HB ALA 17 -12.448 -5.562 7.944 829 HB3 ALA 17 3HB ALA 17 -14.183 -5.285 7.992 830 H HIS 18 H HIS 18 -13.655 -5.138 4.544 831 HA HIS 18 HA HIS 18 -16.568 -5.285 4.358 832 HB2 HIS 18 2HB HIS 18 -14.474 -3.720 2.911 833 HB3 HIS 18 1HB HIS 18 -16.113 -3.805 2.267 834 HD1 HIS 18 1HD HIS 18 -17.709 -2.148 3.232 835 HD2 HIS 18 2HD HIS 18 -14.575 -2.945 5.861 836 HE1 HIS 18 1HE HIS 18 -18.103 -0.711 5.279 837 HE2 HIS 18 2HE HIS 18 -16.198 -1.178 6.887 838 H SER 19 H SER 19 -13.927 -6.306 2.139 839 HA SER 19 HA SER 19 -15.609 -7.266 0.129 840 HB2 SER 19 2HB SER 19 -13.184 -7.094 -0.165 841 HB3 SER 19 1HB SER 19 -12.949 -8.418 0.974 842 HG SER 19 HG SER 19 -13.057 -9.476 -0.897 843 H GLY 20 H GLY 20 -14.366 -8.875 3.035 844 HA2 GLY 20 2HA GLY 20 -15.656 -11.359 2.412 845 HA3 GLY 20 1HA GLY 20 -14.835 -10.978 3.906 846 H LYS 21 H LYS 21 -16.308 -8.667 4.681 847 HA LYS 21 HA LYS 21 -18.482 -9.839 6.017 848 HB2 LYS 21 2HB LYS 21 -17.427 -7.812 6.784 849 HB3 LYS 21 1HB LYS 21 -17.997 -6.931 5.362 850 HG2 LYS 21 2HG LYS 21 -20.320 -7.320 6.092 851 HG3 LYS 21 1HG LYS 21 -19.724 -8.206 7.499 852 HD2 LYS 21 2HD LYS 21 -20.168 -5.911 8.159 853 HD3 LYS 21 1HD LYS 21 -18.431 -6.167 8.170 854 HE2 LYS 21 2HE LYS 21 -19.609 -5.205 5.610 855 HE3 LYS 21 1HE LYS 21 -19.603 -4.057 6.949 856 HZ1 LYS 21 3HZ LYS 21 -17.321 -4.099 7.097 857 HZ2 LYS 21 1HZ LYS 21 -17.555 -4.214 5.421 858 HZ3 LYS 21 2HZ LYS 21 -17.178 -5.604 6.322 859 H GLU 22 H GLU 22 -18.532 -7.913 2.983 860 HA GLU 22 HA GLU 22 -21.349 -8.816 2.684 861 HB2 GLU 22 2HB GLU 22 -21.194 -6.418 3.282 862 HB3 GLU 22 1HB GLU 22 -20.247 -6.142 1.821 863 HG2 GLU 22 2HG GLU 22 -22.123 -7.046 0.463 864 HG3 GLU 22 1HG GLU 22 -23.075 -7.228 1.936 865 H GLY 23 H GLY 23 -22.052 -9.488 0.752 866 HA2 GLY 23 2HA GLY 23 -22.033 -10.205 -1.425 867 HA3 GLY 23 1HA GLY 23 -20.802 -8.990 -1.732 868 H ASP 24 H ASP 24 -19.678 -10.325 -3.114 869 HA ASP 24 HA ASP 24 -18.754 -12.930 -2.428 870 HB2 ASP 24 2HB ASP 24 -17.785 -10.929 -4.484 871 HB3 ASP 24 1HB ASP 24 -17.203 -12.588 -4.363 872 H LYS 25 H LYS 25 -16.728 -13.573 -1.686 873 HA LYS 25 HA LYS 25 -15.387 -11.608 -0.011 874 HB2 LYS 25 2HB LYS 25 -14.708 -14.538 -0.436 875 HB3 LYS 25 1HB LYS 25 -14.152 -13.487 0.878 876 HG2 LYS 25 2HG LYS 25 -16.590 -13.168 1.552 877 HG3 LYS 25 1HG LYS 25 -17.021 -14.413 0.385 878 HD2 LYS 25 2HD LYS 25 -15.080 -14.783 2.690 879 HD3 LYS 25 1HD LYS 25 -16.749 -15.350 2.663 880 HE2 LYS 25 2HE LYS 25 -14.407 -16.310 1.033 881 HE3 LYS 25 1HE LYS 25 -15.548 -17.252 1.991 882 HZ1 LYS 25 3HZ LYS 25 -15.968 -17.464 -0.385 883 HZ2 LYS 25 1HZ LYS 25 -16.201 -15.789 -0.508 884 HZ3 LYS 25 2HZ LYS 25 -17.279 -16.731 0.407 885 H TYR 26 H TYR 26 -13.138 -11.125 -0.189 886 HA TYR 26 HA TYR 26 -11.223 -10.568 -1.297 887 HB2 TYR 26 2HB TYR 26 -11.803 -13.107 -2.828 888 HB3 TYR 26 1HB TYR 26 -10.269 -12.232 -2.836 889 HD1 TYR 26 2HD TYR 26 -9.005 -11.919 -0.690 890 HD2 TYR 26 1HD TYR 26 -12.406 -14.523 -0.996 891 HE1 TYR 26 2HE TYR 26 -8.351 -13.019 1.432 892 HE2 TYR 26 1HE TYR 26 -11.754 -15.622 1.131 893 HH TYR 26 HH TYR 26 -8.703 -14.882 2.716 894 H LYS 27 H LYS 27 -14.087 -10.053 -2.502 895 HA LYS 27 HA LYS 27 -12.986 -8.601 -4.793 896 HB2 LYS 27 2HB LYS 27 -14.184 -10.764 -5.643 897 HB3 LYS 27 1HB LYS 27 -15.658 -9.972 -5.122 898 HG2 LYS 27 2HG LYS 27 -15.442 -9.411 -7.423 899 HG3 LYS 27 1HG LYS 27 -14.887 -7.975 -6.561 900 HD2 LYS 27 2HD LYS 27 -12.581 -8.498 -6.967 901 HD3 LYS 27 1HD LYS 27 -12.956 -10.145 -7.447 902 HE2 LYS 27 2HE LYS 27 -14.325 -8.934 -9.351 903 HE3 LYS 27 1HE LYS 27 -13.247 -7.584 -8.969 904 HZ1 LYS 27 3HZ LYS 27 -12.692 -9.951 -10.409 905 HZ2 LYS 27 1HZ LYS 27 -11.667 -9.843 -9.062 906 HZ3 LYS 27 2HZ LYS 27 -11.719 -8.576 -10.192 907 H LEU 28 H LEU 28 -13.729 -6.519 -4.738 908 HA LEU 28 HA LEU 28 -15.748 -5.957 -2.653 909 HB2 LEU 28 2HB LEU 28 -13.297 -5.236 -2.530 910 HB3 LEU 28 1HB LEU 28 -13.660 -4.131 -3.821 911 HG LEU 28 HG LEU 28 -15.315 -2.961 -2.433 912 HD11 LEU 28 1HD1 LEU 28 -16.222 -4.473 -0.872 913 HD12 LEU 28 2HD1 LEU 28 -15.115 -3.546 0.126 914 HD13 LEU 28 3HD1 LEU 28 -14.646 -5.142 -0.444 915 HD21 LEU 28 3HD2 LEU 28 -12.665 -3.356 -0.979 916 HD22 LEU 28 1HD2 LEU 28 -13.708 -1.945 -0.862 917 HD23 LEU 28 2HD2 LEU 28 -12.880 -2.311 -2.380 918 H SER 29 H SER 29 -17.698 -5.244 -3.343 919 HA SER 29 HA SER 29 -17.987 -4.439 -6.106 920 HB2 SER 29 2HB SER 29 -20.362 -4.582 -5.751 921 HB3 SER 29 1HB SER 29 -19.600 -5.998 -5.034 922 HG SER 29 HG SER 29 -19.608 -4.741 -3.040 923 H LYS 30 H LYS 30 -19.414 -2.494 -6.624 924 HA LYS 30 HA LYS 30 -18.191 -0.142 -5.795 925 HB2 LYS 30 2HB LYS 30 -19.638 -0.387 -7.803 926 HB3 LYS 30 1HB LYS 30 -21.037 -0.399 -6.728 927 HG2 LYS 30 2HG LYS 30 -20.298 1.843 -5.839 928 HG3 LYS 30 1HG LYS 30 -19.027 1.845 -7.058 929 HD2 LYS 30 2HD LYS 30 -20.874 3.083 -7.969 930 HD3 LYS 30 1HD LYS 30 -20.822 1.529 -8.805 931 HE2 LYS 30 2HE LYS 30 -22.448 1.435 -6.333 932 HE3 LYS 30 1HE LYS 30 -23.063 2.577 -7.538 933 HZ1 LYS 30 3HZ LYS 30 -23.751 0.916 -8.805 934 HZ2 LYS 30 1HZ LYS 30 -23.360 -0.157 -7.551 935 HZ3 LYS 30 2HZ LYS 30 -22.227 0.165 -8.775 936 H LYS 31 H LYS 31 -21.309 -1.460 -4.752 937 HA LYS 31 HA LYS 31 -21.978 0.639 -3.034 938 HB2 LYS 31 2HB LYS 31 -23.602 -0.897 -2.100 939 HB3 LYS 31 1HB LYS 31 -23.500 -1.187 -3.841 940 HG2 LYS 31 2HG LYS 31 -21.830 -3.013 -3.353 941 HG3 LYS 31 1HG LYS 31 -22.186 -2.776 -1.643 942 HD2 LYS 31 2HD LYS 31 -24.534 -3.155 -2.116 943 HD3 LYS 31 1HD LYS 31 -24.138 -3.619 -3.762 944 HE2 LYS 31 2HE LYS 31 -22.859 -4.932 -1.354 945 HE3 LYS 31 1HE LYS 31 -24.372 -5.525 -2.038 946 HZ1 LYS 31 3HZ LYS 31 -22.302 -5.034 -3.983 947 HZ2 LYS 31 1HZ LYS 31 -23.330 -6.372 -3.805 948 HZ3 LYS 31 2HZ LYS 31 -21.920 -6.255 -2.864 949 H GLU 32 H GLU 32 -20.383 -2.471 -2.422 950 HA GLU 32 HA GLU 32 -20.002 -2.159 0.348 951 HB2 GLU 32 2HB GLU 32 -18.304 -3.645 -1.673 952 HB3 GLU 32 1HB GLU 32 -18.180 -3.827 0.080 953 HG2 GLU 32 2HG GLU 32 -20.540 -4.533 0.175 954 HG3 GLU 32 1HG GLU 32 -20.648 -4.392 -1.567 955 H LEU 33 H LEU 33 -17.665 -1.334 -2.333 956 HA LEU 33 HA LEU 33 -15.730 -0.432 -0.477 957 HB2 LEU 33 2HB LEU 33 -14.765 0.956 -2.351 958 HB3 LEU 33 1HB LEU 33 -14.829 -0.766 -2.593 959 HG LEU 33 HG LEU 33 -17.232 -0.024 -3.677 960 HD11 LEU 33 1HD1 LEU 33 -16.876 1.933 -5.084 961 HD12 LEU 33 2HD1 LEU 33 -15.214 2.089 -4.535 962 HD13 LEU 33 3HD1 LEU 33 -16.548 2.409 -3.422 963 HD21 LEU 33 3HD2 LEU 33 -15.747 -0.099 -5.899 964 HD22 LEU 33 1HD2 LEU 33 -15.953 -1.547 -4.905 965 HD23 LEU 33 2HD2 LEU 33 -14.485 -0.580 -4.775 966 H LYS 34 H LYS 34 -18.517 1.131 -1.946 967 HA LYS 34 HA LYS 34 -17.885 3.751 -1.171 968 HB2 LYS 34 2HB LYS 34 -19.916 3.119 -2.497 969 HB3 LYS 34 1HB LYS 34 -20.609 2.424 -1.040 970 HG2 LYS 34 2HG LYS 34 -21.553 4.583 -1.155 971 HG3 LYS 34 1HG LYS 34 -20.259 4.743 0.030 972 HD2 LYS 34 2HD LYS 34 -18.781 5.700 -1.671 973 HD3 LYS 34 1HD LYS 34 -20.009 5.439 -2.904 974 HE2 LYS 34 2HE LYS 34 -19.759 7.619 -0.973 975 HE3 LYS 34 1HE LYS 34 -20.730 7.537 -2.440 976 HZ1 LYS 34 3HZ LYS 34 -22.482 6.530 -1.309 977 HZ2 LYS 34 1HZ LYS 34 -21.948 7.734 -0.239 978 HZ3 LYS 34 2HZ LYS 34 -21.518 6.111 0.026 979 H GLU 35 H GLU 35 -19.108 0.963 0.663 980 HA GLU 35 HA GLU 35 -19.563 2.482 3.064 981 HB2 GLU 35 2HB GLU 35 -19.332 -0.487 2.568 982 HB3 GLU 35 1HB GLU 35 -19.796 0.237 4.107 983 HG2 GLU 35 2HG GLU 35 -21.687 1.382 2.981 984 HG3 GLU 35 1HG GLU 35 -21.248 0.586 1.470 985 H LEU 36 H LEU 36 -16.893 0.390 1.914 986 HA LEU 36 HA LEU 36 -15.482 0.360 4.372 987 HB2 LEU 36 2HB LEU 36 -15.144 -1.096 2.265 988 HB3 LEU 36 1HB LEU 36 -14.158 0.228 1.662 989 HG LEU 36 HG LEU 36 -13.656 -1.345 4.241 990 HD11 LEU 36 1HD1 LEU 36 -12.162 -2.597 3.096 991 HD12 LEU 36 2HD1 LEU 36 -11.666 -1.278 2.041 992 HD13 LEU 36 3HD1 LEU 36 -13.145 -2.171 1.696 993 HD21 LEU 36 3HD2 LEU 36 -12.730 0.732 4.737 994 HD22 LEU 36 1HD2 LEU 36 -12.379 1.112 3.056 995 HD23 LEU 36 2HD2 LEU 36 -11.382 -0.046 3.924 996 H LEU 37 H LEU 37 -15.138 2.547 1.515 997 HA LEU 37 HA LEU 37 -12.974 4.004 2.644 998 HB2 LEU 37 2HB LEU 37 -14.982 4.747 0.516 999 HB3 LEU 37 1HB LEU 37 -13.716 5.848 1.038 1000 HG LEU 37 HG LEU 37 -13.284 4.335 -1.037 1001 HD11 LEU 37 1HD1 LEU 37 -11.243 4.348 1.202 1002 HD12 LEU 37 2HD1 LEU 37 -11.586 5.726 0.158 1003 HD13 LEU 37 3HD1 LEU 37 -10.910 4.249 -0.527 1004 HD21 LEU 37 3HD2 LEU 37 -12.447 2.134 -0.599 1005 HD22 LEU 37 1HD2 LEU 37 -14.019 2.250 0.175 1006 HD23 LEU 37 2HD2 LEU 37 -12.556 2.373 1.139 1007 H GLN 38 H GLN 38 -16.494 4.589 2.704 1008 HA GLN 38 HA GLN 38 -16.330 7.047 4.089 1009 HB2 GLN 38 2HB GLN 38 -18.550 5.003 3.969 1010 HB3 GLN 38 1HB GLN 38 -18.713 6.600 4.700 1011 HG2 GLN 38 2HG GLN 38 -18.134 7.665 2.574 1012 HG3 GLN 38 1HG GLN 38 -17.887 6.089 1.827 1013 HE21 GLN 38 1HE2 GLN 38 -19.826 7.914 0.792 1014 HE22 GLN 38 2HE2 GLN 38 -21.372 7.269 1.066 1015 H THR 39 H THR 39 -16.530 3.705 5.228 1016 HA THR 39 HA THR 39 -16.807 4.428 7.982 1017 HB THR 39 HB THR 39 -16.340 2.071 8.440 1018 HG1 THR 39 1HG THR 39 -16.112 1.427 5.774 1019 HG21 THR 39 3HG2 THR 39 -18.016 1.218 6.471 1020 HG22 THR 39 1HG2 THR 39 -18.306 2.954 6.404 1021 HG23 THR 39 2HG2 THR 39 -18.557 2.075 7.911 1022 H GLU 40 H GLU 40 -14.073 3.842 5.843 1023 HA GLU 40 HA GLU 40 -12.245 4.127 8.123 1024 HB2 GLU 40 2HB GLU 40 -11.837 3.152 5.303 1025 HB3 GLU 40 1HB GLU 40 -10.522 3.419 6.432 1026 HG2 GLU 40 2HG GLU 40 -12.851 1.533 6.854 1027 HG3 GLU 40 1HG GLU 40 -11.199 1.059 6.463 1028 H LEU 41 H LEU 41 -12.326 5.367 4.738 1029 HA LEU 41 HA LEU 41 -10.763 7.677 5.685 1030 HB2 LEU 41 2HB LEU 41 -11.425 6.889 2.842 1031 HB3 LEU 41 1HB LEU 41 -10.312 8.151 3.343 1032 HG LEU 41 HG LEU 41 -9.992 5.170 3.812 1033 HD11 LEU 41 1HD1 LEU 41 -9.528 6.379 1.517 1034 HD12 LEU 41 2HD1 LEU 41 -8.344 5.238 2.154 1035 HD13 LEU 41 3HD1 LEU 41 -8.089 6.974 2.340 1036 HD21 LEU 41 3HD2 LEU 41 -8.467 7.561 4.851 1037 HD22 LEU 41 1HD2 LEU 41 -7.627 6.043 4.547 1038 HD23 LEU 41 2HD2 LEU 41 -8.943 6.092 5.713 1039 H SER 42 H SER 42 -11.414 9.765 5.531 1040 HA SER 42 HA SER 42 -14.259 10.156 4.776 1041 HB2 SER 42 2HB SER 42 -13.492 10.519 7.213 1042 HB3 SER 42 1HB SER 42 -12.709 11.974 6.604 1043 HG SER 42 HG SER 42 -15.373 11.405 6.979 1044 H GLY 43 H GLY 43 -11.250 12.055 5.063 1045 HA2 GLY 43 2HA GLY 43 -12.017 14.158 3.415 1046 HA3 GLY 43 1HA GLY 43 -10.358 13.702 3.751 1047 H PHE 44 H PHE 44 -10.381 11.115 2.432 1048 HA PHE 44 HA PHE 44 -9.768 11.985 -0.175 1049 HB2 PHE 44 2HB PHE 44 -10.212 9.228 0.954 1050 HB3 PHE 44 1HB PHE 44 -9.680 9.518 -0.704 1051 HD1 PHE 44 1HD PHE 44 -7.500 10.554 -1.172 1052 HD2 PHE 44 2HD PHE 44 -8.745 9.698 2.848 1053 HE1 PHE 44 1HE PHE 44 -5.172 10.871 -0.382 1054 HE2 PHE 44 2HE PHE 44 -6.417 10.008 3.637 1055 HZ PHE 44 HZ PHE 44 -4.629 10.597 2.022 1056 H LEU 45 H LEU 45 -12.552 9.961 0.856 1057 HA LEU 45 HA LEU 45 -13.762 10.177 -1.748 1058 HB2 LEU 45 2HB LEU 45 -14.397 8.783 0.777 1059 HB3 LEU 45 1HB LEU 45 -15.807 9.305 -0.142 1060 HG LEU 45 HG LEU 45 -14.929 6.986 -0.729 1061 HD11 LEU 45 1HD1 LEU 45 -14.732 8.080 -3.330 1062 HD12 LEU 45 2HD1 LEU 45 -15.753 9.209 -2.428 1063 HD13 LEU 45 3HD1 LEU 45 -16.189 7.500 -2.526 1064 HD21 LEU 45 3HD2 LEU 45 -12.819 6.667 -1.525 1065 HD22 LEU 45 1HD2 LEU 45 -12.451 8.215 -0.768 1066 HD23 LEU 45 2HD2 LEU 45 -12.843 8.142 -2.490 1067 H ASP 46 H ASP 46 -14.211 11.809 1.312 1068 HA ASP 46 HA ASP 46 -16.573 13.142 0.666 1069 HB2 ASP 46 2HB ASP 46 -15.584 13.069 2.947 1070 HB3 ASP 46 1HB ASP 46 -14.338 14.199 2.416 1071 H ALA 47 H ALA 47 -13.283 13.748 -0.281 1072 HA ALA 47 HA ALA 47 -13.381 16.427 -0.978 1073 HB1 ALA 47 1HB ALA 47 -11.648 15.795 -2.718 1074 HB2 ALA 47 2HB ALA 47 -11.897 14.117 -2.231 1075 HB3 ALA 47 3HB ALA 47 -11.289 15.294 -1.066 1076 H GLN 48 H GLN 48 -14.742 13.650 -2.736 1077 HA GLN 48 HA GLN 48 -15.440 15.466 -4.960 1078 HB2 GLN 48 2HB GLN 48 -16.032 12.511 -4.745 1079 HB3 GLN 48 1HB GLN 48 -16.049 13.524 -6.190 1080 HG2 GLN 48 2HG GLN 48 -13.618 12.780 -4.540 1081 HG3 GLN 48 1HG GLN 48 -14.000 12.225 -6.171 1082 HE21 GLN 48 1HE2 GLN 48 -11.946 14.283 -4.707 1083 HE22 GLN 48 2HE2 GLN 48 -11.855 15.514 -5.875 1084 H LYS 49 H LYS 49 -17.308 16.511 -4.836 1085 HA LYS 49 HA LYS 49 -19.232 16.078 -2.847 1086 HB2 LYS 49 2HB LYS 49 -18.845 18.238 -3.974 1087 HB3 LYS 49 1HB LYS 49 -19.572 17.579 -5.440 1088 HG2 LYS 49 2HG LYS 49 -21.673 17.150 -4.185 1089 HG3 LYS 49 1HG LYS 49 -20.944 17.873 -2.751 1090 HD2 LYS 49 2HD LYS 49 -20.588 19.980 -4.066 1091 HD3 LYS 49 1HD LYS 49 -21.483 19.248 -5.398 1092 HE2 LYS 49 2HE LYS 49 -23.505 19.276 -4.233 1093 HE3 LYS 49 1HE LYS 49 -22.713 19.318 -2.658 1094 HZ1 LYS 49 3HZ LYS 49 -21.866 21.582 -3.374 1095 HZ2 LYS 49 1HZ LYS 49 -23.514 21.469 -2.990 1096 HZ3 LYS 49 2HZ LYS 49 -23.024 21.511 -4.617 1097 H ASP 50 H ASP 50 -19.263 15.036 -6.244 1098 HA ASP 50 HA ASP 50 -21.971 14.177 -6.170 1099 HB2 ASP 50 2HB ASP 50 -19.731 13.439 -8.048 1100 HB3 ASP 50 1HB ASP 50 -21.419 12.966 -8.259 1101 H VAL 51 H VAL 51 -22.903 12.211 -5.917 1102 HA VAL 51 HA VAL 51 -21.531 10.266 -4.297 1103 HB VAL 51 HB VAL 51 -23.595 9.060 -4.266 1104 HG11 VAL 51 1HG1 VAL 51 -23.432 11.572 -3.354 1105 HG12 VAL 51 2HG1 VAL 51 -24.919 10.633 -3.236 1106 HG13 VAL 51 3HG1 VAL 51 -24.723 11.813 -4.533 1107 HG21 VAL 51 3HG2 VAL 51 -25.481 9.679 -5.807 1108 HG22 VAL 51 1HG2 VAL 51 -24.096 8.980 -6.643 1109 HG23 VAL 51 2HG2 VAL 51 -24.368 10.720 -6.689 1110 H ASP 52 H ASP 52 -22.248 10.814 -7.611 1111 HA ASP 52 HA ASP 52 -21.802 8.269 -8.735 1112 HB2 ASP 52 2HB ASP 52 -21.377 11.053 -9.853 1113 HB3 ASP 52 1HB ASP 52 -21.264 9.578 -10.812 1114 H ALA 53 H ALA 53 -19.759 10.694 -7.427 1115 HA ALA 53 HA ALA 53 -17.332 10.316 -8.661 1116 HB1 ALA 53 1HB ALA 53 -17.855 11.976 -6.875 1117 HB2 ALA 53 2HB ALA 53 -16.320 11.126 -6.660 1118 HB3 ALA 53 3HB ALA 53 -17.726 10.666 -5.696 1119 H VAL 54 H VAL 54 -18.836 8.298 -6.122 1120 HA VAL 54 HA VAL 54 -16.572 6.676 -5.634 1121 HB VAL 54 HB VAL 54 -18.711 6.670 -4.286 1122 HG11 VAL 54 1HG1 VAL 54 -20.626 5.551 -5.083 1123 HG12 VAL 54 2HG1 VAL 54 -19.720 4.699 -6.331 1124 HG13 VAL 54 3HG1 VAL 54 -20.070 6.416 -6.512 1125 HG21 VAL 54 3HG2 VAL 54 -17.213 4.929 -3.747 1126 HG22 VAL 54 1HG2 VAL 54 -17.384 4.166 -5.330 1127 HG23 VAL 54 2HG2 VAL 54 -18.689 4.055 -4.154 1128 H ASP 55 H ASP 55 -19.204 6.454 -8.006 1129 HA ASP 55 HA ASP 55 -18.420 3.995 -9.143 1130 HB2 ASP 55 2HB ASP 55 -20.612 5.178 -9.540 1131 HB3 ASP 55 1HB ASP 55 -19.744 6.307 -10.579 1132 H LYS 56 H LYS 56 -17.563 7.359 -9.813 1133 HA LYS 56 HA LYS 56 -15.970 6.895 -12.090 1134 HB2 LYS 56 2HB LYS 56 -15.753 9.034 -9.959 1135 HB3 LYS 56 1HB LYS 56 -14.895 9.064 -11.500 1136 HG2 LYS 56 2HG LYS 56 -17.093 8.941 -12.681 1137 HG3 LYS 56 1HG LYS 56 -17.903 9.047 -11.116 1138 HD2 LYS 56 2HD LYS 56 -16.727 11.214 -10.704 1139 HD3 LYS 56 1HD LYS 56 -16.058 11.122 -12.334 1140 HE2 LYS 56 2HE LYS 56 -18.919 11.512 -11.492 1141 HE3 LYS 56 1HE LYS 56 -17.969 12.443 -12.648 1142 HZ1 LYS 56 3HZ LYS 56 -19.290 9.847 -12.990 1143 HZ2 LYS 56 1HZ LYS 56 -17.884 10.165 -13.882 1144 HZ3 LYS 56 2HZ LYS 56 -19.237 11.180 -14.043 1145 H VAL 57 H VAL 57 -15.208 6.820 -8.628 1146 HA VAL 57 HA VAL 57 -12.407 6.507 -8.918 1147 HB VAL 57 HB VAL 57 -14.282 5.673 -6.695 1148 HG11 VAL 57 1HG1 VAL 57 -12.022 5.780 -5.396 1149 HG12 VAL 57 2HG1 VAL 57 -11.289 5.546 -6.983 1150 HG13 VAL 57 3HG1 VAL 57 -12.392 4.332 -6.334 1151 HG21 VAL 57 3HG2 VAL 57 -13.982 8.154 -7.298 1152 HG22 VAL 57 1HG2 VAL 57 -12.313 7.969 -6.759 1153 HG23 VAL 57 2HG2 VAL 57 -13.641 7.706 -5.624 1154 H MET 58 H MET 58 -15.038 4.154 -8.502 1155 HA MET 58 HA MET 58 -13.313 1.905 -8.517 1156 HB2 MET 58 2HB MET 58 -15.155 0.625 -8.133 1157 HB3 MET 58 1HB MET 58 -15.755 2.191 -7.607 1158 HG2 MET 58 2HG MET 58 -17.491 1.550 -8.971 1159 HG3 MET 58 1HG MET 58 -16.488 2.364 -10.160 1160 HE1 MET 58 3HE MET 58 -16.942 -2.053 -9.294 1161 HE2 MET 58 1HE MET 58 -18.386 -1.124 -9.714 1162 HE3 MET 58 2HE MET 58 -17.395 -0.646 -8.338 1163 H LYS 59 H LYS 59 -14.988 3.532 -11.218 1164 HA LYS 59 HA LYS 59 -14.772 1.404 -13.053 1165 HB2 LYS 59 2HB LYS 59 -14.652 4.359 -13.583 1166 HB3 LYS 59 1HB LYS 59 -14.805 3.106 -14.816 1167 HG2 LYS 59 2HG LYS 59 -16.790 2.418 -12.961 1168 HG3 LYS 59 1HG LYS 59 -16.841 4.180 -12.987 1169 HD2 LYS 59 2HD LYS 59 -16.871 2.428 -15.420 1170 HD3 LYS 59 1HD LYS 59 -18.317 3.148 -14.700 1171 HE2 LYS 59 2HE LYS 59 -16.986 5.401 -14.935 1172 HE3 LYS 59 1HE LYS 59 -16.043 4.510 -16.129 1173 HZ1 LYS 59 3HZ LYS 59 -17.810 5.554 -17.273 1174 HZ2 LYS 59 1HZ LYS 59 -18.962 5.022 -16.147 1175 HZ3 LYS 59 2HZ LYS 59 -18.210 3.906 -17.182 1176 H GLU 60 H GLU 60 -12.426 3.918 -12.150 1177 HA GLU 60 HA GLU 60 -10.472 3.233 -14.087 1178 HB2 GLU 60 2HB GLU 60 -10.463 5.342 -12.772 1179 HB3 GLU 60 1HB GLU 60 -10.058 4.415 -11.330 1180 HG2 GLU 60 2HG GLU 60 -8.010 3.585 -12.474 1181 HG3 GLU 60 1HG GLU 60 -8.396 4.603 -13.855 1182 H LEU 61 H LEU 61 -11.111 2.144 -10.810 1183 HA LEU 61 HA LEU 61 -8.801 0.530 -10.569 1184 HB2 LEU 61 2HB LEU 61 -11.415 0.346 -9.075 1185 HB3 LEU 61 1HB LEU 61 -9.916 -0.441 -8.608 1186 HG LEU 61 HG LEU 61 -10.367 2.552 -8.791 1187 HD11 LEU 61 1HD1 LEU 61 -10.515 2.562 -6.471 1188 HD12 LEU 61 2HD1 LEU 61 -9.635 1.043 -6.306 1189 HD13 LEU 61 3HD1 LEU 61 -11.313 1.037 -6.845 1190 HD21 LEU 61 3HD2 LEU 61 -8.060 2.380 -7.487 1191 HD22 LEU 61 1HD2 LEU 61 -8.081 2.408 -9.242 1192 HD23 LEU 61 2HD2 LEU 61 -7.906 0.876 -8.369 1193 H ASP 62 H ASP 62 -12.036 -0.189 -11.804 1194 HA ASP 62 HA ASP 62 -11.541 -3.005 -11.727 1195 HB2 ASP 62 2HB ASP 62 -13.823 -1.977 -11.809 1196 HB3 ASP 62 1HB ASP 62 -13.519 -1.585 -13.504 1197 H GLU 63 H GLU 63 -9.489 -3.139 -12.648 1198 HA GLU 63 HA GLU 63 -8.810 -2.464 -15.326 1199 HB2 GLU 63 2HB GLU 63 -7.135 -2.899 -13.630 1200 HB3 GLU 63 1HB GLU 63 -7.791 -4.520 -13.359 1201 HG2 GLU 63 2HG GLU 63 -7.234 -5.157 -15.641 1202 HG3 GLU 63 1HG GLU 63 -6.550 -3.542 -15.952 1203 H ASN 64 H ASN 64 -9.792 -5.349 -13.733 1204 HA ASN 64 HA ASN 64 -9.611 -7.254 -15.701 1205 HB2 ASN 64 2HB ASN 64 -11.472 -6.845 -13.432 1206 HB3 ASN 64 1HB ASN 64 -11.261 -8.406 -14.222 1207 HD21 ASN 64 1HD2 ASN 64 -8.497 -8.577 -14.460 1208 HD22 ASN 64 2HD2 ASN 64 -7.760 -8.452 -12.936 1209 H GLY 65 H GLY 65 -12.256 -5.001 -15.026 1210 HA2 GLY 65 2HA GLY 65 -13.945 -4.341 -16.551 1211 HA3 GLY 65 1HA GLY 65 -13.519 -5.713 -17.583 1212 H ASP 66 H ASP 66 -13.485 -6.721 -14.483 1213 HA ASP 66 HA ASP 66 -15.662 -8.474 -14.653 1214 HB2 ASP 66 2HB ASP 66 -15.103 -8.971 -12.302 1215 HB3 ASP 66 1HB ASP 66 -13.655 -8.894 -13.306 1216 H GLY 67 H GLY 67 -15.351 -5.251 -13.391 1217 HA2 GLY 67 2HA GLY 67 -17.214 -3.775 -13.189 1218 HA3 GLY 67 1HA GLY 67 -18.248 -5.171 -12.890 1219 H GLU 68 H GLU 68 -15.618 -5.889 -11.150 1220 HA GLU 68 HA GLU 68 -16.493 -4.341 -8.779 1221 HB2 GLU 68 2HB GLU 68 -15.372 -7.118 -8.618 1222 HB3 GLU 68 1HB GLU 68 -16.093 -6.179 -7.333 1223 HG2 GLU 68 2HG GLU 68 -17.467 -7.460 -9.686 1224 HG3 GLU 68 1HG GLU 68 -17.651 -7.841 -7.979 1225 H VAL 69 H VAL 69 -14.772 -4.241 -7.099 1226 HA VAL 69 HA VAL 69 -12.187 -3.726 -8.402 1227 HB VAL 69 HB VAL 69 -13.153 -2.952 -5.640 1228 HG11 VAL 69 1HG1 VAL 69 -10.752 -2.934 -5.760 1229 HG12 VAL 69 2HG1 VAL 69 -11.304 -1.263 -5.855 1230 HG13 VAL 69 3HG1 VAL 69 -10.789 -2.103 -7.316 1231 HG21 VAL 69 3HG2 VAL 69 -13.327 -0.653 -6.746 1232 HG22 VAL 69 1HG2 VAL 69 -14.582 -1.823 -7.150 1233 HG23 VAL 69 2HG2 VAL 69 -13.267 -1.511 -8.286 1234 H ASP 70 H ASP 70 -10.450 -5.001 -7.950 1235 HA ASP 70 HA ASP 70 -10.886 -7.245 -6.117 1236 HB2 ASP 70 2HB ASP 70 -10.140 -7.694 -8.442 1237 HB3 ASP 70 1HB ASP 70 -8.635 -6.851 -8.088 1238 H PHE 71 H PHE 71 -9.192 -7.974 -4.726 1239 HA PHE 71 HA PHE 71 -8.393 -6.157 -2.813 1240 HB2 PHE 71 2HB PHE 71 -8.411 -8.732 -2.831 1241 HB3 PHE 71 1HB PHE 71 -6.828 -8.626 -3.576 1242 HD1 PHE 71 1HD PHE 71 -6.543 -5.876 -1.567 1243 HD2 PHE 71 2HD PHE 71 -7.088 -10.115 -1.183 1244 HE1 PHE 71 1HE PHE 71 -5.508 -5.803 0.675 1245 HE2 PHE 71 2HE PHE 71 -6.061 -10.028 1.055 1246 HZ PHE 71 HZ PHE 71 -5.279 -7.881 1.985 1247 H GLN 72 H GLN 72 -6.494 -7.380 -5.597 1248 HA GLN 72 HA GLN 72 -4.124 -5.942 -4.991 1249 HB2 GLN 72 2HB GLN 72 -5.227 -6.893 -7.651 1250 HB3 GLN 72 1HB GLN 72 -3.595 -6.270 -7.412 1251 HG2 GLN 72 2HG GLN 72 -3.141 -8.044 -5.783 1252 HG3 GLN 72 1HG GLN 72 -4.771 -8.661 -5.958 1253 HE21 GLN 72 1HE2 GLN 72 -2.579 -10.332 -6.479 1254 HE22 GLN 72 2HE2 GLN 72 -2.507 -10.650 -8.141 1255 H GLU 73 H GLU 73 -7.018 -5.091 -6.874 1256 HA GLU 73 HA GLU 73 -6.072 -2.620 -7.883 1257 HB2 GLU 73 2HB GLU 73 -8.871 -3.582 -7.284 1258 HB3 GLU 73 1HB GLU 73 -8.493 -2.139 -8.215 1259 HG2 GLU 73 2HG GLU 73 -7.250 -3.550 -9.844 1260 HG3 GLU 73 1HG GLU 73 -7.704 -4.981 -8.924 1261 H TYR 74 H TYR 74 -7.874 -3.518 -4.984 1262 HA TYR 74 HA TYR 74 -8.313 -0.925 -3.922 1263 HB2 TYR 74 2HB TYR 74 -9.506 -3.002 -3.220 1264 HB3 TYR 74 1HB TYR 74 -8.027 -3.568 -2.460 1265 HD1 TYR 74 1HD TYR 74 -10.747 -1.099 -2.323 1266 HD2 TYR 74 2HD TYR 74 -7.195 -2.558 -0.399 1267 HE1 TYR 74 1HE TYR 74 -11.334 0.166 -0.278 1268 HE2 TYR 74 2HE TYR 74 -7.782 -1.281 1.647 1269 HH TYR 74 HH TYR 74 -9.562 -0.230 2.704 1270 H VAL 75 H VAL 75 -5.804 -3.308 -3.600 1271 HA VAL 75 HA VAL 75 -4.281 -2.081 -1.582 1272 HB VAL 75 HB VAL 75 -4.057 -4.465 -3.145 1273 HG11 VAL 75 1HG1 VAL 75 -1.605 -4.521 -3.584 1274 HG12 VAL 75 2HG1 VAL 75 -1.566 -2.783 -3.366 1275 HG13 VAL 75 3HG1 VAL 75 -2.498 -3.476 -4.681 1276 HG21 VAL 75 3HG2 VAL 75 -2.486 -3.345 -0.825 1277 HG22 VAL 75 1HG2 VAL 75 -2.187 -4.952 -1.484 1278 HG23 VAL 75 2HG2 VAL 75 -3.767 -4.563 -0.800 1279 H VAL 76 H VAL 76 -3.968 -1.848 -5.158 1280 HA VAL 76 HA VAL 76 -1.810 0.016 -4.891 1281 HB VAL 76 HB VAL 76 -2.033 0.479 -7.241 1282 HG11 VAL 76 1HG1 VAL 76 -1.277 -1.855 -6.295 1283 HG12 VAL 76 2HG1 VAL 76 -1.515 -1.653 -8.031 1284 HG13 VAL 76 3HG1 VAL 76 -2.761 -2.430 -7.056 1285 HG21 VAL 76 3HG2 VAL 76 -4.533 0.668 -7.261 1286 HG22 VAL 76 1HG2 VAL 76 -4.613 -1.084 -7.161 1287 HG23 VAL 76 2HG2 VAL 76 -3.901 -0.324 -8.572 1288 H LEU 77 H LEU 77 -5.351 0.325 -4.985 1289 HA LEU 77 HA LEU 77 -5.470 3.105 -5.380 1290 HB2 LEU 77 2HB LEU 77 -7.500 1.808 -5.364 1291 HB3 LEU 77 1HB LEU 77 -7.222 1.296 -3.706 1292 HG LEU 77 HG LEU 77 -7.424 3.690 -2.976 1293 HD11 LEU 77 1HD1 LEU 77 -8.195 4.119 -5.870 1294 HD12 LEU 77 2HD1 LEU 77 -6.857 4.868 -5.015 1295 HD13 LEU 77 3HD1 LEU 77 -8.514 5.269 -4.582 1296 HD21 LEU 77 3HD2 LEU 77 -9.645 2.231 -4.355 1297 HD22 LEU 77 1HD2 LEU 77 -9.946 3.808 -3.624 1298 HD23 LEU 77 2HD2 LEU 77 -9.364 2.470 -2.630 1299 H VAL 78 H VAL 78 -5.299 1.346 -2.237 1300 HA VAL 78 HA VAL 78 -5.106 3.816 -0.810 1301 HB VAL 78 HB VAL 78 -4.490 2.530 1.171 1302 HG11 VAL 78 1HG1 VAL 78 -6.834 1.868 -0.529 1303 HG12 VAL 78 2HG1 VAL 78 -6.757 2.538 1.106 1304 HG13 VAL 78 3HG1 VAL 78 -6.542 0.807 0.854 1305 HG21 VAL 78 3HG2 VAL 78 -4.546 0.057 -0.593 1306 HG22 VAL 78 1HG2 VAL 78 -4.233 0.128 1.136 1307 HG23 VAL 78 2HG2 VAL 78 -3.072 0.814 0.010 1308 H ALA 79 H ALA 79 -2.647 1.589 -2.084 1309 HA ALA 79 HA ALA 79 -0.490 2.866 -0.690 1310 HB1 ALA 79 1HB ALA 79 0.878 1.408 -1.775 1311 HB2 ALA 79 2HB ALA 79 0.032 1.574 -3.317 1312 HB3 ALA 79 3HB ALA 79 -0.645 0.576 -2.038 1313 H ALA 80 H ALA 80 -1.713 3.239 -4.010 1314 HA ALA 80 HA ALA 80 0.135 5.227 -4.795 1315 HB1 ALA 80 1HB ALA 80 -1.650 5.765 -6.530 1316 HB2 ALA 80 2HB ALA 80 -2.628 4.502 -5.782 1317 HB3 ALA 80 3HB ALA 80 -1.070 4.098 -6.509 1318 H LEU 81 H LEU 81 -3.089 5.349 -3.267 1319 HA LEU 81 HA LEU 81 -3.187 8.207 -3.281 1320 HB2 LEU 81 2HB LEU 81 -4.723 6.067 -1.895 1321 HB3 LEU 81 1HB LEU 81 -4.779 7.692 -1.218 1322 HG LEU 81 HG LEU 81 -5.676 8.624 -3.227 1323 HD11 LEU 81 1HD1 LEU 81 -4.526 7.727 -5.047 1324 HD12 LEU 81 2HD1 LEU 81 -6.107 6.984 -5.224 1325 HD13 LEU 81 3HD1 LEU 81 -4.782 6.068 -4.526 1326 HD21 LEU 81 3HD2 LEU 81 -7.280 7.257 -1.842 1327 HD22 LEU 81 1HD2 LEU 81 -7.034 5.926 -2.973 1328 HD23 LEU 81 2HD2 LEU 81 -7.753 7.432 -3.528 1329 H THR 82 H THR 82 -1.721 5.826 -1.113 1330 HA THR 82 HA THR 82 -1.246 7.596 1.052 1331 HB THR 82 HB THR 82 0.508 5.307 0.135 1332 HG1 THR 82 1HG THR 82 -0.805 4.079 1.536 1333 HG21 THR 82 3HG2 THR 82 0.117 6.775 2.734 1334 HG22 THR 82 1HG2 THR 82 1.612 6.536 1.829 1335 HG23 THR 82 2HG2 THR 82 0.856 5.176 2.659 1336 H VAL 83 H VAL 83 0.891 6.657 -1.669 1337 HA VAL 83 HA VAL 83 2.948 8.491 -0.926 1338 HB VAL 83 HB VAL 83 3.423 6.629 -2.470 1339 HG11 VAL 83 1HG1 VAL 83 2.714 6.610 -4.733 1340 HG12 VAL 83 2HG1 VAL 83 2.087 8.253 -4.639 1341 HG13 VAL 83 3HG1 VAL 83 1.269 6.939 -3.815 1342 HG21 VAL 83 3HG2 VAL 83 3.974 9.138 -4.024 1343 HG22 VAL 83 1HG2 VAL 83 5.058 7.799 -3.638 1344 HG23 VAL 83 2HG2 VAL 83 4.635 8.973 -2.394 1345 H ALA 84 H ALA 84 0.124 8.832 -3.030 1346 HA ALA 84 HA ALA 84 0.798 11.407 -4.017 1347 HB1 ALA 84 1HB ALA 84 -2.001 10.372 -3.579 1348 HB2 ALA 84 2HB ALA 84 -0.981 9.808 -4.903 1349 HB3 ALA 84 3HB ALA 84 -1.439 11.508 -4.806 1350 H CYS 85 H CHC 85 -0.801 10.229 -1.134 1351 HA CYS 85 HA CHC 85 -1.874 12.655 -0.189 1352 HB2 CYS 85 2HB CHC 85 -2.406 10.343 0.670 1353 HB3 CYS 85 1HB CHC 85 -0.846 10.365 1.494 1354 H ASN 86 H ASN 86 1.144 10.945 0.736 1355 HA ASN 86 HA ASN 86 2.086 13.062 2.344 1356 HB2 ASN 86 2HB ASN 86 3.085 10.729 2.182 1357 HB3 ASN 86 1HB ASN 86 3.877 11.274 0.702 1358 HD21 ASN 86 1HD2 ASN 86 5.532 10.570 2.857 1359 HD22 ASN 86 2HD2 ASN 86 6.219 11.969 3.529 1360 H ASN 87 H ASN 87 2.340 12.446 -1.143 1361 HA ASN 87 HA ASN 87 4.104 14.550 -1.787 1362 HB2 ASN 87 2HB ASN 87 1.846 13.342 -3.399 1363 HB3 ASN 87 1HB ASN 87 3.077 14.421 -4.051 1364 HD21 ASN 87 1HD2 ASN 87 2.804 11.740 -5.014 1365 HD22 ASN 87 2HD2 ASN 87 4.182 10.864 -4.549 1366 H PHE 88 H PHE 88 0.551 14.541 -1.391 1367 HA PHE 88 HA PHE 88 0.262 17.248 -2.233 1368 HB2 PHE 88 2HB PHE 88 -1.556 15.479 -0.599 1369 HB3 PHE 88 1HB PHE 88 -1.956 17.146 -1.012 1370 HD1 PHE 88 1HD PHE 88 -1.618 17.766 -3.572 1371 HD2 PHE 88 2HD PHE 88 -2.248 13.793 -2.079 1372 HE1 PHE 88 1HE PHE 88 -2.430 17.054 -5.803 1373 HE2 PHE 88 2HE PHE 88 -3.040 13.074 -4.312 1374 HZ PHE 88 HZ PHE 88 -3.134 14.706 -6.176 1375 H PHE 89 H PHE 89 0.759 15.731 0.942 1376 HA PHE 89 HA PHE 89 0.354 18.079 2.459 1377 HB2 PHE 89 2HB PHE 89 0.490 15.794 3.418 1378 HB3 PHE 89 1HB PHE 89 2.222 15.782 3.082 1379 HD1 PHE 89 2HD PHE 89 -0.457 17.406 5.063 1380 HD2 PHE 89 1HD PHE 89 3.774 17.042 4.422 1381 HE1 PHE 89 2HE PHE 89 -0.033 18.616 7.185 1382 HE2 PHE 89 1HE PHE 89 4.200 18.253 6.543 1383 HZ PHE 89 HZ PHE 89 2.296 19.040 7.925 1384 H TRP 90 H TRP 90 3.414 16.646 1.263 1385 HA TRP 90 HA TRP 90 5.036 18.818 2.137 1386 HB2 TRP 90 2HB TRP 90 5.980 16.606 1.727 1387 HB3 TRP 90 1HB TRP 90 5.610 16.776 0.006 1388 HD1 TRP 90 HD TRP 90 6.728 18.840 -1.254 1389 HE1 TRP 90 1HE TRP 90 9.032 19.952 -0.944 1390 HE3 TRP 90 3HE TRP 90 7.814 17.215 3.440 1391 HZ2 TRP 90 2HZ TRP 90 11.075 20.123 1.066 1392 HZ3 TRP 90 3HZ TRP 90 9.939 17.864 4.540 1393 HH2 TRP 90 HH TRP 90 11.568 19.316 3.362 1394 H GLU 91 H GLU 91 3.494 18.045 -0.904 1395 HA GLU 91 HA GLU 91 4.557 20.514 -2.087 1396 HB2 GLU 91 2HB GLU 91 4.579 18.039 -3.045 1397 HB3 GLU 91 1HB GLU 91 2.979 18.496 -3.621 1398 HG2 GLU 91 2HG GLU 91 5.473 20.158 -4.114 1399 HG3 GLU 91 1HG GLU 91 4.843 18.974 -5.259 1400 H ASN 92 H ASN 92 3.284 22.147 -2.817 1401 HA ASN 92 HA ASN 92 0.422 22.022 -2.093 1402 HB2 ASN 92 2HB ASN 92 2.259 24.384 -2.545 1403 HB3 ASN 92 1HB ASN 92 0.537 24.507 -2.190 1404 HD21 ASN 92 1HD2 ASN 92 2.498 25.615 -0.421 1405 HD22 ASN 92 2HD2 ASN 92 2.471 24.727 1.026 1406 H SER 93 H SER 93 -1.144 22.338 -3.597 1407 HA SER 93 HA SER 93 -0.430 22.078 -6.370 1408 HB2 SER 93 2HB SER 93 -2.420 20.963 -5.656 1409 HB3 SER 93 1HB SER 93 -3.066 22.436 -4.938 1410 HG SER 93 HG SER 93 -3.766 21.723 -7.172 1411 H1 HCS 201 1HT CHC 85 0.244 -15.163 7.355 1412 H2 HCS 201 2HT CHC 85 -0.195 -14.576 8.886 1413 H HCS 201 3HT CHC 85 0.961 -15.812 8.748 1414 HCA HCS 201 HH CHC 85 2.630 -14.419 8.215 1415 HB2 HCS 201 1HZ CHC 85 1.609 -13.752 6.091 1416 HB3 HCS 201 2HZ CHC 85 2.254 -12.331 6.914 1417 HG2 HCS 201 1HE CHC 85 0.085 -11.639 7.622 1418 HG3 HCS 201 2HE CHC 85 -0.626 -13.202 7.222 1419 H1 HCS 201 1HT CHC 85 -1.734 15.972 5.095 1420 H2 HCS 201 2HT CHC 85 -1.676 15.592 6.751 1421 H HCS 201 3HT CHC 85 -2.748 16.782 6.188 1422 HCA HCS 201 HH CHC 85 -4.266 15.307 5.460 1423 HB2 HCS 201 1HZ CHC 85 -2.785 14.391 3.737 1424 HB3 HCS 201 2HZ CHC 85 -3.627 13.077 4.561 1425 HG2 HCS 201 1HE CHC 85 -1.696 12.513 5.839 1426 HG3 HCS 201 2HE CHC 85 -0.886 14.023 5.423 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.465 8.673 14.556 2 HA2 GLY 1 2HA GLY 1 -9.797 9.431 12.667 3 HA3 GLY 1 1HA GLY 1 -8.651 8.597 13.711 4 H SER 2 H SER 2 -8.710 7.559 11.324 5 HA SER 2 HA SER 2 -10.493 5.194 11.476 6 HB2 SER 2 2HB SER 2 -10.974 6.658 9.545 7 HB3 SER 2 1HB SER 2 -9.300 6.502 9.021 8 HG SER 2 HG SER 2 -10.336 4.930 7.941 9 H GLU 3 H GLU 3 -9.580 3.184 11.280 10 HA GLU 3 HA GLU 3 -6.854 2.855 11.931 11 HB2 GLU 3 2HB GLU 3 -8.872 0.912 10.799 12 HB3 GLU 3 1HB GLU 3 -7.276 0.445 11.379 13 HG2 GLU 3 2HG GLU 3 -7.814 1.408 13.589 14 HG3 GLU 3 1HG GLU 3 -9.427 1.815 13.010 15 H LEU 4 H LEU 4 -8.559 2.705 8.811 16 HA LEU 4 HA LEU 4 -6.421 1.615 7.330 17 HB2 LEU 4 2HB LEU 4 -8.884 2.058 6.665 18 HB3 LEU 4 1HB LEU 4 -8.338 3.680 6.253 19 HG LEU 4 HG LEU 4 -6.994 1.186 5.177 20 HD11 LEU 4 1HD1 LEU 4 -8.343 1.266 3.205 21 HD12 LEU 4 2HD1 LEU 4 -9.146 2.742 3.728 22 HD13 LEU 4 3HD1 LEU 4 -9.440 1.227 4.581 23 HD21 LEU 4 3HD2 LEU 4 -5.601 2.608 4.192 24 HD22 LEU 4 1HD2 LEU 4 -6.439 3.986 4.891 25 HD23 LEU 4 2HD2 LEU 4 -6.938 3.357 3.329 26 H GLU 5 H GLU 5 -7.288 4.951 8.207 27 HA GLU 5 HA GLU 5 -5.188 6.216 6.766 28 HB2 GLU 5 2HB GLU 5 -6.758 7.112 9.190 29 HB3 GLU 5 1HB GLU 5 -5.599 8.133 8.340 30 HG2 GLU 5 2HG GLU 5 -6.897 7.831 6.256 31 HG3 GLU 5 1HG GLU 5 -8.075 6.869 7.142 32 H THR 6 H THR 6 -5.441 4.871 10.029 33 HA THR 6 HA THR 6 -3.004 5.867 11.028 34 HB THR 6 HB THR 6 -4.269 3.180 11.640 35 HG1 THR 6 1HG THR 6 -5.380 4.310 13.224 36 HG21 THR 6 3HG2 THR 6 -2.018 3.365 12.521 37 HG22 THR 6 1HG2 THR 6 -3.155 3.568 13.854 38 HG23 THR 6 2HG2 THR 6 -2.356 4.977 13.154 39 H ALA 7 H ALA 7 -3.839 3.021 9.130 40 HA ALA 7 HA ALA 7 -1.241 1.861 9.084 41 HB1 ALA 7 1HB ALA 7 -2.095 0.388 7.496 42 HB2 ALA 7 2HB ALA 7 -3.132 1.613 6.770 43 HB3 ALA 7 3HB ALA 7 -3.563 0.904 8.323 44 H MET 8 H MET 8 -2.929 4.053 6.840 45 HA MET 8 HA MET 8 -0.889 4.247 4.896 46 HB2 MET 8 2HB MET 8 -3.015 6.210 5.811 47 HB3 MET 8 1HB MET 8 -2.022 6.447 4.374 48 HG2 MET 8 2HG MET 8 -2.861 4.340 3.421 49 HG3 MET 8 1HG MET 8 -3.837 4.051 4.848 50 HE1 MET 8 3HE MET 8 -3.200 5.927 1.689 51 HE2 MET 8 1HE MET 8 -3.189 7.403 2.663 52 HE3 MET 8 2HE MET 8 -4.490 7.110 1.513 53 H GLU 9 H GLU 9 -1.491 6.073 7.872 54 HA GLU 9 HA GLU 9 0.662 7.893 7.559 55 HB2 GLU 9 2HB GLU 9 -0.807 6.957 10.032 56 HB3 GLU 9 1HB GLU 9 0.405 8.240 10.029 57 HG2 GLU 9 2HG GLU 9 -0.942 9.490 8.366 58 HG3 GLU 9 1HG GLU 9 -2.168 8.231 8.424 59 H THR 10 H THR 10 0.393 4.633 8.947 60 HA THR 10 HA THR 10 2.929 4.647 10.202 61 HB THR 10 HB THR 10 1.464 2.300 9.007 62 HG1 THR 10 1HG THR 10 1.211 2.441 11.621 63 HG21 THR 10 3HG2 THR 10 3.790 1.798 9.565 64 HG22 THR 10 1HG2 THR 10 2.726 1.037 10.751 65 HG23 THR 10 2HG2 THR 10 3.583 2.522 11.163 66 H LEU 11 H LEU 11 1.841 3.713 6.924 67 HA LEU 11 HA LEU 11 4.378 2.785 6.057 68 HB2 LEU 11 2HB LEU 11 2.302 4.182 4.354 69 HB3 LEU 11 1HB LEU 11 3.564 3.100 3.786 70 HG LEU 11 HG LEU 11 1.166 2.381 5.479 71 HD11 LEU 11 1HD1 LEU 11 0.824 0.798 3.503 72 HD12 LEU 11 2HD1 LEU 11 2.047 1.755 2.668 73 HD13 LEU 11 3HD1 LEU 11 0.546 2.513 3.199 74 HD21 LEU 11 3HD2 LEU 11 3.663 0.828 4.843 75 HD22 LEU 11 1HD2 LEU 11 2.125 -0.000 5.072 76 HD23 LEU 11 2HD2 LEU 11 2.795 0.972 6.383 77 H ILE 12 H ILE 12 2.830 5.971 6.017 78 HA ILE 12 HA ILE 12 4.937 7.309 4.671 79 HB ILE 12 HB ILE 12 2.959 8.380 6.692 80 HG12 ILE 12 2HG1 ILE 12 2.976 8.603 3.672 81 HG13 ILE 12 1HG1 ILE 12 2.069 7.374 4.532 82 HG21 ILE 12 1HG2 ILE 12 4.845 9.885 6.567 83 HG22 ILE 12 2HG2 ILE 12 3.533 10.583 5.617 84 HG23 ILE 12 3HG2 ILE 12 4.875 9.777 4.807 85 HD11 ILE 12 3HD1 ILE 12 0.903 9.635 3.865 86 HD12 ILE 12 1HD1 ILE 12 1.743 10.262 5.286 87 HD13 ILE 12 2HD1 ILE 12 0.592 8.936 5.457 88 H ASN 13 H ASN 13 4.352 6.799 8.130 89 HA ASN 13 HA ASN 13 6.530 8.293 9.069 90 HB2 ASN 13 2HB ASN 13 5.101 5.931 10.279 91 HB3 ASN 13 1HB ASN 13 6.261 6.939 11.143 92 HD21 ASN 13 1HD2 ASN 13 3.531 6.781 11.987 93 HD22 ASN 13 2HD2 ASN 13 2.801 8.289 11.719 94 H VAL 14 H VAL 14 6.381 4.806 8.212 95 HA VAL 14 HA VAL 14 9.076 4.413 9.117 96 HB VAL 14 HB VAL 14 8.956 2.166 8.241 97 HG11 VAL 14 1HG1 VAL 14 7.277 1.372 9.666 98 HG12 VAL 14 2HG1 VAL 14 6.192 2.710 9.294 99 HG13 VAL 14 3HG1 VAL 14 7.607 2.980 10.310 100 HG21 VAL 14 3HG2 VAL 14 6.520 3.159 6.754 101 HG22 VAL 14 1HG2 VAL 14 6.714 1.455 7.141 102 HG23 VAL 14 2HG2 VAL 14 7.901 2.275 6.123 103 H PHE 15 H PHE 15 7.623 4.982 5.902 104 HA PHE 15 HA PHE 15 10.010 4.638 4.423 105 HB2 PHE 15 2HB PHE 15 7.833 4.813 3.327 106 HB3 PHE 15 1HB PHE 15 7.675 6.482 3.879 107 HD1 PHE 15 1HD PHE 15 10.008 4.254 1.955 108 HD2 PHE 15 2HD PHE 15 8.483 8.220 2.572 109 HE1 PHE 15 1HE PHE 15 11.310 5.070 0.007 110 HE2 PHE 15 2HE PHE 15 9.774 9.023 0.620 111 HZ PHE 15 HZ PHE 15 11.194 7.449 -0.662 112 H HIS 16 H HIS 16 8.543 7.481 5.912 113 HA HIS 16 HA HIS 16 10.665 9.225 5.236 114 HB2 HIS 16 2HB HIS 16 8.396 10.037 5.847 115 HB3 HIS 16 1HB HIS 16 8.674 9.484 7.498 116 HD1 HIS 16 1HD HIS 16 10.480 11.718 4.972 117 HD2 HIS 16 2HD HIS 16 9.745 11.477 9.069 118 HE1 HIS 16 1HE HIS 16 11.536 13.771 6.012 119 HE2 HIS 16 2HE HIS 16 11.096 13.640 8.509 120 H ALA 17 H ALA 17 10.088 7.066 7.922 121 HA ALA 17 HA ALA 17 11.990 8.121 9.672 122 HB1 ALA 17 1HB ALA 17 10.430 6.229 10.215 123 HB2 ALA 17 2HB ALA 17 12.101 5.894 10.652 124 HB3 ALA 17 3HB ALA 17 11.414 5.168 9.189 125 H HIS 18 H HIS 18 12.366 5.547 7.206 126 HA HIS 18 HA HIS 18 15.245 5.626 7.671 127 HB2 HIS 18 2HB HIS 18 13.466 3.990 5.929 128 HB3 HIS 18 1HB HIS 18 15.204 4.003 5.632 129 HD1 HIS 18 1HD HIS 18 16.559 2.472 7.075 130 HD2 HIS 18 2HD HIS 18 12.893 3.378 8.841 131 HE1 HIS 18 1HE HIS 18 16.475 1.195 9.259 132 HE2 HIS 18 2HE HIS 18 14.245 1.730 10.342 133 H SER 19 H SER 19 13.165 6.562 4.918 134 HA SER 19 HA SER 19 15.245 7.368 3.235 135 HB2 SER 19 2HB SER 19 12.914 7.210 2.492 136 HB3 SER 19 1HB SER 19 12.498 8.597 3.499 137 HG SER 19 HG SER 19 13.688 9.891 2.225 138 H GLY 20 H GLY 20 13.447 9.175 5.697 139 HA2 GLY 20 2HA GLY 20 14.877 11.607 5.260 140 HA3 GLY 20 1HA GLY 20 13.798 11.278 6.595 141 H LYS 21 H LYS 21 15.052 9.011 7.709 142 HA LYS 21 HA LYS 21 16.967 10.210 9.369 143 HB2 LYS 21 2HB LYS 21 15.713 8.267 10.032 144 HB3 LYS 21 1HB LYS 21 16.505 7.284 8.797 145 HG2 LYS 21 2HG LYS 21 18.665 7.648 9.926 146 HG3 LYS 21 1HG LYS 21 17.860 8.655 11.136 147 HD2 LYS 21 2HD LYS 21 18.085 6.406 12.029 148 HD3 LYS 21 1HD LYS 21 16.385 6.708 11.697 149 HE2 LYS 21 2HE LYS 21 17.961 5.525 9.467 150 HE3 LYS 21 1HE LYS 21 17.683 4.482 10.861 151 HZ1 LYS 21 3HZ LYS 21 15.357 4.771 10.668 152 HZ2 LYS 21 1HZ LYS 21 15.927 4.397 9.115 153 HZ3 LYS 21 2HZ LYS 21 15.526 6.001 9.508 154 H GLU 22 H GLU 22 17.550 8.150 6.480 155 HA GLU 22 HA GLU 22 20.417 8.888 6.770 156 HB2 GLU 22 2HB GLU 22 19.959 6.500 7.241 157 HB3 GLU 22 1HB GLU 22 19.334 6.326 5.603 158 HG2 GLU 22 2HG GLU 22 21.651 5.624 5.595 159 HG3 GLU 22 1HG GLU 22 21.552 7.163 4.744 160 H GLY 23 H GLY 23 21.555 9.545 5.083 161 HA2 GLY 23 2HA GLY 23 22.066 10.408 3.029 162 HA3 GLY 23 1HA GLY 23 21.010 9.167 2.373 163 H ASP 24 H ASP 24 20.043 10.311 0.813 164 HA ASP 24 HA ASP 24 19.008 12.951 1.134 165 HB2 ASP 24 2HB ASP 24 18.493 10.818 -0.949 166 HB3 ASP 24 1HB ASP 24 17.876 12.466 -1.048 167 H LYS 25 H LYS 25 16.872 13.612 1.400 168 HA LYS 25 HA LYS 25 15.215 11.727 2.878 169 HB2 LYS 25 2HB LYS 25 14.673 14.634 2.186 170 HB3 LYS 25 1HB LYS 25 13.831 13.651 3.394 171 HG2 LYS 25 2HG LYS 25 16.067 13.344 4.587 172 HG3 LYS 25 1HG LYS 25 16.751 14.537 3.489 173 HD2 LYS 25 2HD LYS 25 14.369 15.013 5.310 174 HD3 LYS 25 1HD LYS 25 16.014 15.566 5.621 175 HE2 LYS 25 2HE LYS 25 14.098 16.474 3.482 176 HE3 LYS 25 1HE LYS 25 15.002 17.448 4.639 177 HZ1 LYS 25 3HZ LYS 25 17.038 16.889 3.502 178 HZ2 LYS 25 1HZ LYS 25 15.939 17.559 2.398 179 HZ3 LYS 25 2HZ LYS 25 16.202 15.881 2.419 180 H TYR 26 H TYR 26 13.073 11.182 2.273 181 HA TYR 26 HA TYR 26 11.417 10.548 0.829 182 HB2 TYR 26 2HB TYR 26 12.238 13.044 -0.665 183 HB3 TYR 26 1HB TYR 26 10.725 12.161 -0.874 184 HD1 TYR 26 2HD TYR 26 9.139 11.936 1.075 185 HD2 TYR 26 1HD TYR 26 12.535 14.566 1.149 186 HE1 TYR 26 2HE TYR 26 8.157 13.150 3.001 187 HE2 TYR 26 1HE TYR 26 11.554 15.778 3.078 188 HH TYR 26 HH TYR 26 9.894 15.851 4.547 189 H LYS 27 H LYS 27 14.413 9.983 0.269 190 HA LYS 27 HA LYS 27 13.885 8.624 -2.282 191 HB2 LYS 27 2HB LYS 27 15.249 10.748 -2.701 192 HB3 LYS 27 1HB LYS 27 16.533 9.990 -1.764 193 HG2 LYS 27 2HG LYS 27 17.053 9.427 -4.003 194 HG3 LYS 27 1HG LYS 27 16.262 7.985 -3.360 195 HD2 LYS 27 2HD LYS 27 14.189 8.513 -4.452 196 HD3 LYS 27 1HD LYS 27 14.720 10.139 -4.846 197 HE2 LYS 27 2HE LYS 27 15.689 7.525 -6.019 198 HE3 LYS 27 1HE LYS 27 14.887 8.852 -6.854 199 HZ1 LYS 27 3HZ LYS 27 16.796 10.252 -6.420 200 HZ2 LYS 27 1HZ LYS 27 17.269 8.855 -7.258 201 HZ3 LYS 27 2HZ LYS 27 17.573 8.988 -5.593 202 H LEU 28 H LEU 28 14.643 6.483 -2.219 203 HA LEU 28 HA LEU 28 15.961 5.728 0.325 204 HB2 LEU 28 2HB LEU 28 13.526 5.073 -0.372 205 HB3 LEU 28 1HB LEU 28 14.315 3.940 -1.412 206 HG LEU 28 HG LEU 28 15.413 2.832 0.464 207 HD11 LEU 28 1HD1 LEU 28 15.775 4.281 2.253 208 HD12 LEU 28 2HD1 LEU 28 14.285 3.528 2.802 209 HD13 LEU 28 3HD1 LEU 28 14.231 5.111 2.040 210 HD21 LEU 28 3HD2 LEU 28 12.407 3.231 0.733 211 HD22 LEU 28 1HD2 LEU 28 13.287 1.982 1.594 212 HD23 LEU 28 2HD2 LEU 28 13.225 1.966 -0.172 213 H SER 29 H SER 29 17.884 4.693 0.254 214 HA SER 29 HA SER 29 18.933 3.803 -2.357 215 HB2 SER 29 2HB SER 29 20.295 5.512 -1.307 216 HB3 SER 29 1HB SER 29 20.356 4.589 0.177 217 HG SER 29 HG SER 29 22.216 4.165 -0.973 218 H LYS 30 H LYS 30 20.252 1.833 -2.403 219 HA LYS 30 HA LYS 30 18.944 -0.403 -1.450 220 HB2 LYS 30 2HB LYS 30 20.749 -0.411 -3.171 221 HB3 LYS 30 1HB LYS 30 21.918 -0.212 -1.868 222 HG2 LYS 30 2HG LYS 30 21.024 -2.319 -0.819 223 HG3 LYS 30 1HG LYS 30 19.994 -2.526 -2.233 224 HD2 LYS 30 2HD LYS 30 21.977 -3.839 -2.597 225 HD3 LYS 30 1HD LYS 30 22.072 -2.433 -3.660 226 HE2 LYS 30 2HE LYS 30 23.843 -1.529 -2.527 227 HE3 LYS 30 1HE LYS 30 23.242 -2.040 -0.943 228 HZ1 LYS 30 3HZ LYS 30 24.473 -3.838 -2.973 229 HZ2 LYS 30 1HZ LYS 30 23.967 -4.277 -1.415 230 HZ3 LYS 30 2HZ LYS 30 25.274 -3.210 -1.612 231 H LYS 31 H LYS 31 21.790 1.185 -0.075 232 HA LYS 31 HA LYS 31 22.214 -0.619 2.007 233 HB2 LYS 31 2HB LYS 31 23.569 1.120 2.989 234 HB3 LYS 31 1HB LYS 31 23.755 1.222 1.237 235 HG2 LYS 31 2HG LYS 31 21.939 2.984 1.225 236 HG3 LYS 31 1HG LYS 31 22.002 2.951 2.990 237 HD2 LYS 31 2HD LYS 31 24.405 3.404 2.855 238 HD3 LYS 31 1HD LYS 31 24.239 3.706 1.134 239 HE2 LYS 31 2HE LYS 31 22.755 5.555 1.537 240 HE3 LYS 31 1HE LYS 31 22.599 5.138 3.243 241 HZ1 LYS 31 3HZ LYS 31 24.129 6.880 3.182 242 HZ2 LYS 31 1HZ LYS 31 24.948 6.253 1.835 243 HZ3 LYS 31 2HZ LYS 31 25.093 5.492 3.347 244 H GLU 32 H GLU 32 20.420 2.443 1.915 245 HA GLU 32 HA GLU 32 19.538 2.434 4.585 246 HB2 GLU 32 2HB GLU 32 18.205 3.609 2.136 247 HB3 GLU 32 1HB GLU 32 17.787 4.009 3.799 248 HG2 GLU 32 2HG GLU 32 20.137 4.765 4.159 249 HG3 GLU 32 1HG GLU 32 20.461 4.464 2.456 250 H LEU 33 H LEU 33 17.772 1.250 1.639 251 HA LEU 33 HA LEU 33 15.526 0.500 3.178 252 HB2 LEU 33 2HB LEU 33 14.890 -1.029 1.305 253 HB3 LEU 33 1HB LEU 33 15.087 0.650 0.904 254 HG LEU 33 HG LEU 33 17.603 -0.249 0.368 255 HD11 LEU 33 1HD1 LEU 33 16.804 -2.629 0.783 256 HD12 LEU 33 2HD1 LEU 33 17.449 -2.365 -0.832 257 HD13 LEU 33 3HD1 LEU 33 15.709 -2.437 -0.590 258 HD21 LEU 33 3HD2 LEU 33 16.568 1.136 -1.237 259 HD22 LEU 33 1HD2 LEU 33 15.107 0.153 -1.286 260 HD23 LEU 33 2HD2 LEU 33 16.565 -0.417 -2.084 261 H LYS 34 H LYS 34 18.536 -1.155 2.454 262 HA LYS 34 HA LYS 34 17.709 -3.687 3.304 263 HB2 LYS 34 2HB LYS 34 19.990 -3.177 2.396 264 HB3 LYS 34 1HB LYS 34 20.374 -2.370 3.915 265 HG2 LYS 34 2HG LYS 34 21.246 -4.559 4.180 266 HG3 LYS 34 1HG LYS 34 19.715 -4.593 5.053 267 HD2 LYS 34 2HD LYS 34 18.607 -5.672 3.169 268 HD3 LYS 34 1HD LYS 34 20.053 -5.499 2.184 269 HE2 LYS 34 2HE LYS 34 20.435 -7.646 2.885 270 HE3 LYS 34 1HE LYS 34 21.084 -6.840 4.314 271 HZ1 LYS 34 3HZ LYS 34 18.523 -8.211 3.946 272 HZ2 LYS 34 1HZ LYS 34 18.575 -6.896 5.016 273 HZ3 LYS 34 2HZ LYS 34 19.586 -8.238 5.271 274 H GLU 35 H GLU 35 18.531 -0.729 5.097 275 HA GLU 35 HA GLU 35 18.381 -2.032 7.666 276 HB2 GLU 35 2HB GLU 35 18.341 0.885 6.878 277 HB3 GLU 35 1HB GLU 35 18.411 0.297 8.538 278 HG2 GLU 35 2HG GLU 35 20.491 -0.941 7.996 279 HG3 GLU 35 1HG GLU 35 20.440 -0.279 6.363 280 H LEU 36 H LEU 36 16.130 -0.039 5.721 281 HA LEU 36 HA LEU 36 14.136 0.210 7.720 282 HB2 LEU 36 2HB LEU 36 14.380 1.477 5.489 283 HB3 LEU 36 1HB LEU 36 13.568 0.102 4.756 284 HG LEU 36 HG LEU 36 12.433 1.937 6.925 285 HD11 LEU 36 1HD1 LEU 36 11.176 2.905 5.280 286 HD12 LEU 36 2HD1 LEU 36 11.136 1.459 4.283 287 HD13 LEU 36 3HD1 LEU 36 12.573 2.468 4.298 288 HD21 LEU 36 3HD2 LEU 36 11.441 -0.679 5.787 289 HD22 LEU 36 1HD2 LEU 36 10.296 0.559 6.285 290 HD23 LEU 36 2HD2 LEU 36 11.425 -0.108 7.455 291 H LEU 37 H LEU 37 14.468 -2.228 5.070 292 HA LEU 37 HA LEU 37 12.049 -3.548 5.741 293 HB2 LEU 37 2HB LEU 37 14.502 -4.512 4.272 294 HB3 LEU 37 1HB LEU 37 13.109 -5.548 4.557 295 HG LEU 37 HG LEU 37 13.237 -4.249 2.309 296 HD11 LEU 37 1HD1 LEU 37 10.708 -3.875 3.930 297 HD12 LEU 37 2HD1 LEU 37 11.217 -5.433 3.282 298 HD13 LEU 37 3HD1 LEU 37 10.846 -4.105 2.187 299 HD21 LEU 37 3HD2 LEU 37 12.437 -1.990 2.322 300 HD22 LEU 37 1HD2 LEU 37 13.779 -2.075 3.448 301 HD23 LEU 37 2HD2 LEU 37 12.134 -2.047 4.054 302 H GLN 38 H GLN 38 15.409 -4.116 6.792 303 HA GLN 38 HA GLN 38 14.813 -6.429 8.306 304 HB2 GLN 38 2HB GLN 38 17.049 -4.420 8.580 305 HB3 GLN 38 1HB GLN 38 16.953 -5.920 9.504 306 HG2 GLN 38 2HG GLN 38 16.864 -7.198 7.373 307 HG3 GLN 38 1HG GLN 38 17.059 -5.695 6.478 308 HE21 GLN 38 1HE2 GLN 38 18.818 -5.225 9.246 309 HE22 GLN 38 2HE2 GLN 38 20.335 -5.773 8.717 310 H THR 39 H THR 39 14.792 -2.974 9.188 311 HA THR 39 HA THR 39 14.320 -3.514 11.963 312 HB THR 39 HB THR 39 13.760 -1.130 12.130 313 HG1 THR 39 1HG THR 39 14.345 -0.462 9.594 314 HG21 THR 39 3HG2 THR 39 16.052 -1.350 12.278 315 HG22 THR 39 1HG2 THR 39 15.941 -0.336 10.843 316 HG23 THR 39 2HG2 THR 39 16.199 -2.070 10.677 317 H GLU 40 H GLU 40 12.214 -2.908 9.189 318 HA GLU 40 HA GLU 40 9.856 -3.063 10.904 319 HB2 GLU 40 2HB GLU 40 10.219 -2.452 7.978 320 HB3 GLU 40 1HB GLU 40 8.644 -2.629 8.736 321 HG2 GLU 40 2HG GLU 40 10.775 -0.673 9.638 322 HG3 GLU 40 1HG GLU 40 9.385 -0.252 8.641 323 H LEU 41 H LEU 41 11.046 -4.761 7.976 324 HA LEU 41 HA LEU 41 9.235 -6.988 8.668 325 HB2 LEU 41 2HB LEU 41 10.736 -6.549 6.078 326 HB3 LEU 41 1HB LEU 41 9.488 -7.747 6.381 327 HG LEU 41 HG LEU 41 9.156 -4.737 6.243 328 HD11 LEU 41 1HD1 LEU 41 7.510 -6.698 4.700 329 HD12 LEU 41 2HD1 LEU 41 9.183 -6.476 4.203 330 HD13 LEU 41 3HD1 LEU 41 8.084 -5.098 4.234 331 HD21 LEU 41 3HD2 LEU 41 6.656 -5.405 6.516 332 HD22 LEU 41 1HD2 LEU 41 7.646 -5.281 7.968 333 HD23 LEU 41 2HD2 LEU 41 7.280 -6.867 7.272 334 H SER 42 H SER 42 9.941 -9.039 8.997 335 HA SER 42 HA SER 42 12.881 -9.373 9.175 336 HB2 SER 42 2HB SER 42 12.586 -10.760 11.052 337 HB3 SER 42 1HB SER 42 11.458 -9.435 11.320 338 HG SER 42 HG SER 42 10.546 -11.554 11.627 339 H GLY 43 H GLY 43 10.032 -11.503 9.060 340 HA2 GLY 43 2HA GLY 43 11.290 -13.660 7.838 341 HA3 GLY 43 1HA GLY 43 9.561 -13.367 7.824 342 H PHE 44 H PHE 44 9.634 -10.903 6.255 343 HA PHE 44 HA PHE 44 9.518 -12.051 3.692 344 HB2 PHE 44 2HB PHE 44 9.713 -9.166 4.559 345 HB3 PHE 44 1HB PHE 44 9.443 -9.661 2.888 346 HD1 PHE 44 1HD PHE 44 7.388 -10.874 2.245 347 HD2 PHE 44 2HD PHE 44 7.958 -9.395 6.243 348 HE1 PHE 44 1HE PHE 44 4.971 -11.170 2.704 349 HE2 PHE 44 2HE PHE 44 5.542 -9.691 6.694 350 HZ PHE 44 HZ PHE 44 4.048 -10.577 4.927 351 H LEU 45 H LEU 45 12.021 -9.809 4.966 352 HA LEU 45 HA LEU 45 13.687 -10.242 2.653 353 HB2 LEU 45 2HB LEU 45 13.803 -8.539 5.059 354 HB3 LEU 45 1HB LEU 45 15.375 -9.119 4.517 355 HG LEU 45 HG LEU 45 14.620 -6.913 3.484 356 HD11 LEU 45 1HD1 LEU 45 15.755 -9.312 2.243 357 HD12 LEU 45 2HD1 LEU 45 16.244 -7.622 2.086 358 HD13 LEU 45 3HD1 LEU 45 14.978 -8.267 1.045 359 HD21 LEU 45 3HD2 LEU 45 12.209 -8.197 3.102 360 HD22 LEU 45 1HD2 LEU 45 12.942 -8.351 1.499 361 HD23 LEU 45 2HD2 LEU 45 12.728 -6.762 2.225 362 H ASP 46 H ASP 46 13.574 -11.507 5.901 363 HA ASP 46 HA ASP 46 16.031 -12.829 5.886 364 HB2 ASP 46 2HB ASP 46 14.591 -12.526 7.900 365 HB3 ASP 46 1HB ASP 46 13.503 -13.760 7.266 366 H ALA 47 H ALA 47 12.990 -13.633 4.399 367 HA ALA 47 HA ALA 47 13.231 -16.368 4.055 368 HB1 ALA 47 1HB ALA 47 12.022 -14.279 2.243 369 HB2 ALA 47 2HB ALA 47 11.195 -15.267 3.446 370 HB3 ALA 47 3HB ALA 47 11.840 -16.014 1.985 371 H GLN 48 H GLN 48 14.899 -13.785 2.267 372 HA GLN 48 HA GLN 48 16.002 -15.830 0.444 373 HB2 GLN 48 2HB GLN 48 16.550 -12.858 0.423 374 HB3 GLN 48 1HB GLN 48 16.844 -14.028 -0.863 375 HG2 GLN 48 2HG GLN 48 14.142 -13.151 0.192 376 HG3 GLN 48 1HG GLN 48 14.832 -12.779 -1.389 377 HE21 GLN 48 1HE2 GLN 48 12.533 -14.698 -0.109 378 HE22 GLN 48 2HE2 GLN 48 12.663 -16.055 -1.122 379 H LYS 49 H LYS 49 17.819 -16.813 1.027 380 HA LYS 49 HA LYS 49 19.327 -16.128 3.285 381 HB2 LYS 49 2HB LYS 49 19.175 -18.403 2.348 382 HB3 LYS 49 1HB LYS 49 20.157 -17.886 0.978 383 HG2 LYS 49 2HG LYS 49 21.986 -17.269 2.548 384 HG3 LYS 49 1HG LYS 49 21.007 -17.860 3.891 385 HD2 LYS 49 2HD LYS 49 20.923 -20.101 2.772 386 HD3 LYS 49 1HD LYS 49 22.039 -19.486 1.551 387 HE2 LYS 49 2HE LYS 49 22.575 -19.668 4.530 388 HE3 LYS 49 1HE LYS 49 23.290 -20.687 3.280 389 HZ1 LYS 49 3HZ LYS 49 24.851 -19.166 2.997 390 HZ2 LYS 49 1HZ LYS 49 24.142 -18.168 4.171 391 HZ3 LYS 49 2HZ LYS 49 23.678 -18.024 2.543 392 H ASP 50 H ASP 50 20.013 -15.463 -0.141 393 HA ASP 50 HA ASP 50 22.649 -14.524 0.368 394 HB2 ASP 50 2HB ASP 50 20.827 -14.067 -1.990 395 HB3 ASP 50 1HB ASP 50 22.522 -13.572 -1.913 396 H VAL 51 H VAL 51 23.495 -12.515 0.577 397 HA VAL 51 HA VAL 51 21.804 -10.445 1.647 398 HB VAL 51 HB VAL 51 23.808 -9.177 1.953 399 HG11 VAL 51 1HG1 VAL 51 24.980 -11.909 2.249 400 HG12 VAL 51 2HG1 VAL 51 23.476 -11.568 3.105 401 HG13 VAL 51 3HG1 VAL 51 24.906 -10.581 3.408 402 HG21 VAL 51 3HG2 VAL 51 25.097 -11.088 -0.028 403 HG22 VAL 51 1HG2 VAL 51 25.973 -9.885 0.914 404 HG23 VAL 51 2HG2 VAL 51 24.782 -9.370 -0.277 405 H ASP 52 H ASP 52 23.212 -11.336 -1.362 406 HA ASP 52 HA ASP 52 22.984 -8.964 -2.853 407 HB2 ASP 52 2HB ASP 52 24.173 -11.077 -3.561 408 HB3 ASP 52 1HB ASP 52 22.591 -11.789 -3.870 409 H ALA 53 H ALA 53 20.726 -11.260 -1.676 410 HA ALA 53 HA ALA 53 18.583 -11.088 -3.395 411 HB1 ALA 53 1HB ALA 53 18.407 -11.108 -0.389 412 HB2 ALA 53 2HB ALA 53 18.753 -12.533 -1.375 413 HB3 ALA 53 3HB ALA 53 17.206 -11.692 -1.542 414 H VAL 54 H VAL 54 19.552 -8.759 -0.858 415 HA VAL 54 HA VAL 54 17.223 -7.166 -1.001 416 HB VAL 54 HB VAL 54 19.074 -6.948 0.719 417 HG11 VAL 54 1HG1 VAL 54 20.409 -5.172 -1.322 418 HG12 VAL 54 2HG1 VAL 54 20.830 -6.880 -1.212 419 HG13 VAL 54 3HG1 VAL 54 21.075 -5.822 0.175 420 HG21 VAL 54 3HG2 VAL 54 18.981 -4.332 0.546 421 HG22 VAL 54 1HG2 VAL 54 17.481 -5.223 0.795 422 HG23 VAL 54 2HG2 VAL 54 17.902 -4.632 -0.815 423 H ASP 55 H ASP 55 20.260 -7.132 -2.830 424 HA ASP 55 HA ASP 55 19.687 -4.851 -4.390 425 HB2 ASP 55 2HB ASP 55 21.928 -5.988 -4.206 426 HB3 ASP 55 1HB ASP 55 21.298 -7.262 -5.247 427 H LYS 56 H LYS 56 19.029 -8.307 -4.829 428 HA LYS 56 HA LYS 56 17.904 -8.128 -7.406 429 HB2 LYS 56 2HB LYS 56 17.307 -10.055 -5.150 430 HB3 LYS 56 1HB LYS 56 16.757 -10.260 -6.813 431 HG2 LYS 56 2HG LYS 56 19.138 -10.183 -7.565 432 HG3 LYS 56 1HG LYS 56 19.636 -10.117 -5.874 433 HD2 LYS 56 2HD LYS 56 18.431 -12.269 -5.479 434 HD3 LYS 56 1HD LYS 56 18.077 -12.351 -7.204 435 HE2 LYS 56 2HE LYS 56 20.759 -12.516 -5.832 436 HE3 LYS 56 1HE LYS 56 20.032 -13.658 -6.963 437 HZ1 LYS 56 3HZ LYS 56 20.284 -12.090 -8.731 438 HZ2 LYS 56 1HZ LYS 56 21.785 -12.259 -7.960 439 HZ3 LYS 56 2HZ LYS 56 20.828 -10.885 -7.665 440 H VAL 57 H VAL 57 16.511 -7.708 -4.187 441 HA VAL 57 HA VAL 57 13.808 -7.521 -5.000 442 HB VAL 57 HB VAL 57 15.254 -6.373 -2.603 443 HG11 VAL 57 1HG1 VAL 57 12.357 -6.361 -3.423 444 HG12 VAL 57 2HG1 VAL 57 13.320 -5.052 -2.739 445 HG13 VAL 57 3HG1 VAL 57 12.798 -6.390 -1.716 446 HG21 VAL 57 3HG2 VAL 57 15.016 -8.936 -3.016 447 HG22 VAL 57 1HG2 VAL 57 13.309 -8.678 -2.654 448 HG23 VAL 57 2HG2 VAL 57 14.534 -8.295 -1.443 449 H MET 58 H MET 58 16.319 -5.057 -4.488 450 HA MET 58 HA MET 58 14.576 -2.888 -5.042 451 HB2 MET 58 2HB MET 58 16.328 -1.490 -4.590 452 HB3 MET 58 1HB MET 58 16.786 -2.936 -3.703 453 HG2 MET 58 2HG MET 58 18.767 -2.729 -4.779 454 HG3 MET 58 1HG MET 58 17.927 -3.394 -6.170 455 HE1 MET 58 3HE MET 58 18.591 -0.584 -4.039 456 HE2 MET 58 1HE MET 58 18.123 0.882 -4.911 457 HE3 MET 58 2HE MET 58 19.756 0.241 -5.069 458 H LYS 59 H LYS 59 16.645 -4.753 -7.270 459 HA LYS 59 HA LYS 59 16.707 -2.827 -9.315 460 HB2 LYS 59 2HB LYS 59 16.733 -5.833 -9.605 461 HB3 LYS 59 1HB LYS 59 17.123 -4.689 -10.889 462 HG2 LYS 59 2HG LYS 59 18.590 -4.838 -8.266 463 HG3 LYS 59 1HG LYS 59 19.134 -5.560 -9.774 464 HD2 LYS 59 2HD LYS 59 18.602 -3.020 -10.624 465 HD3 LYS 59 1HD LYS 59 19.056 -2.704 -8.948 466 HE2 LYS 59 2HE LYS 59 20.668 -4.336 -10.896 467 HE3 LYS 59 1HE LYS 59 21.009 -2.655 -10.479 468 HZ1 LYS 59 3HZ LYS 59 20.966 -4.938 -8.577 469 HZ2 LYS 59 1HZ LYS 59 21.285 -3.322 -8.169 470 HZ3 LYS 59 2HZ LYS 59 22.363 -4.174 -9.171 471 H GLU 60 H GLU 60 14.184 -5.267 -8.638 472 HA GLU 60 HA GLU 60 12.745 -4.636 -11.033 473 HB2 GLU 60 2HB GLU 60 11.019 -6.034 -10.215 474 HB3 GLU 60 1HB GLU 60 12.513 -6.761 -9.628 475 HG2 GLU 60 2HG GLU 60 12.186 -5.546 -7.466 476 HG3 GLU 60 1HG GLU 60 10.624 -4.989 -8.054 477 H LEU 61 H LEU 61 12.734 -3.434 -7.740 478 HA LEU 61 HA LEU 61 10.385 -1.852 -7.955 479 HB2 LEU 61 2HB LEU 61 12.769 -1.487 -6.137 480 HB3 LEU 61 1HB LEU 61 11.211 -0.698 -5.947 481 HG LEU 61 HG LEU 61 11.700 -3.684 -5.820 482 HD11 LEU 61 1HD1 LEU 61 12.401 -1.969 -3.909 483 HD12 LEU 61 2HD1 LEU 61 11.614 -3.490 -3.505 484 HD13 LEU 61 3HD1 LEU 61 10.673 -1.997 -3.560 485 HD21 LEU 61 3HD2 LEU 61 9.479 -3.559 -6.556 486 HD22 LEU 61 1HD2 LEU 61 9.214 -1.984 -5.799 487 HD23 LEU 61 2HD2 LEU 61 9.261 -3.440 -4.824 488 H ASP 62 H ASP 62 13.773 -1.216 -8.705 489 HA ASP 62 HA ASP 62 13.294 1.597 -8.984 490 HB2 ASP 62 2HB ASP 62 15.533 0.627 -8.510 491 HB3 ASP 62 1HB ASP 62 15.558 -0.020 -10.152 492 H GLU 63 H GLU 63 11.613 1.929 -10.357 493 HA GLU 63 HA GLU 63 11.287 0.835 -12.956 494 HB2 GLU 63 2HB GLU 63 9.469 1.920 -11.780 495 HB3 GLU 63 1HB GLU 63 10.398 3.419 -11.659 496 HG2 GLU 63 2HG GLU 63 10.419 3.634 -14.082 497 HG3 GLU 63 1HG GLU 63 9.468 2.138 -14.247 498 H ASN 64 H ASN 64 12.603 3.764 -11.724 499 HA ASN 64 HA ASN 64 13.269 5.132 -14.031 500 HB2 ASN 64 2HB ASN 64 14.424 5.018 -11.301 501 HB3 ASN 64 1HB ASN 64 14.804 6.310 -12.438 502 HD21 ASN 64 1HD2 ASN 64 12.278 6.879 -13.496 503 HD22 ASN 64 2HD2 ASN 64 11.219 7.351 -12.256 504 H GLY 65 H GLY 65 15.032 2.626 -12.277 505 HA2 GLY 65 2HA GLY 65 16.835 1.329 -13.036 506 HA3 GLY 65 1HA GLY 65 16.912 2.336 -14.489 507 H ASP 66 H ASP 66 16.590 3.963 -11.548 508 HA ASP 66 HA ASP 66 19.166 5.249 -11.775 509 HB2 ASP 66 2HB ASP 66 18.218 6.730 -10.053 510 HB3 ASP 66 1HB ASP 66 17.078 6.504 -11.381 511 H GLY 67 H GLY 67 18.369 2.393 -10.433 512 HA2 GLY 67 2HA GLY 67 19.337 1.061 -8.821 513 HA3 GLY 67 1HA GLY 67 20.645 2.243 -8.764 514 H GLU 68 H GLU 68 17.950 3.976 -8.283 515 HA GLU 68 HA GLU 68 18.094 3.771 -5.324 516 HB2 GLU 68 2HB GLU 68 18.963 5.871 -6.513 517 HB3 GLU 68 1HB GLU 68 17.284 6.188 -6.941 518 HG2 GLU 68 2HG GLU 68 17.719 7.401 -4.928 519 HG3 GLU 68 1HG GLU 68 16.746 6.012 -4.454 520 H VAL 69 H VAL 69 16.179 3.615 -4.206 521 HA VAL 69 HA VAL 69 13.771 3.126 -5.837 522 HB VAL 69 HB VAL 69 14.355 2.403 -2.959 523 HG11 VAL 69 1HG1 VAL 69 11.941 2.627 -3.554 524 HG12 VAL 69 2HG1 VAL 69 12.402 0.991 -3.091 525 HG13 VAL 69 3HG1 VAL 69 12.186 1.393 -4.793 526 HG21 VAL 69 3HG2 VAL 69 14.230 0.474 -5.236 527 HG22 VAL 69 1HG2 VAL 69 14.966 0.281 -3.645 528 HG23 VAL 69 2HG2 VAL 69 15.732 1.317 -4.847 529 H ASP 70 H ASP 70 12.021 4.477 -5.686 530 HA ASP 70 HA ASP 70 12.277 6.705 -3.769 531 HB2 ASP 70 2HB ASP 70 10.873 7.999 -5.197 532 HB3 ASP 70 1HB ASP 70 12.071 7.216 -6.217 533 H PHE 71 H PHE 71 10.104 7.624 -3.082 534 HA PHE 71 HA PHE 71 8.889 5.938 -1.249 535 HB2 PHE 71 2HB PHE 71 8.895 8.505 -1.518 536 HB3 PHE 71 1HB PHE 71 7.526 8.272 -2.585 537 HD1 PHE 71 1HD PHE 71 6.773 5.714 -0.486 538 HD2 PHE 71 2HD PHE 71 7.275 9.971 -0.297 539 HE1 PHE 71 1HE PHE 71 5.254 5.803 1.459 540 HE2 PHE 71 2HE PHE 71 5.767 10.044 1.654 541 HZ PHE 71 HZ PHE 71 4.762 7.969 2.523 542 H GLN 72 H GLN 72 7.700 6.824 -4.532 543 HA GLN 72 HA GLN 72 5.257 5.399 -4.336 544 HB2 GLN 72 2HB GLN 72 6.928 6.101 -6.763 545 HB3 GLN 72 1HB GLN 72 5.285 5.464 -6.833 546 HG2 GLN 72 2HG GLN 72 4.473 7.374 -5.525 547 HG3 GLN 72 1HG GLN 72 6.099 8.014 -5.401 548 HE21 GLN 72 1HE2 GLN 72 4.082 9.577 -6.553 549 HE22 GLN 72 2HE2 GLN 72 4.373 9.727 -8.214 550 H GLU 73 H GLU 73 8.472 4.355 -5.477 551 HA GLU 73 HA GLU 73 7.688 1.795 -6.385 552 HB2 GLU 73 2HB GLU 73 10.309 2.854 -5.351 553 HB3 GLU 73 1HB GLU 73 10.131 1.268 -6.087 554 HG2 GLU 73 2HG GLU 73 9.314 2.362 -8.166 555 HG3 GLU 73 1HG GLU 73 9.557 3.936 -7.423 556 H TYR 74 H TYR 74 8.859 3.018 -3.295 557 HA TYR 74 HA TYR 74 8.990 0.575 -1.869 558 HB2 TYR 74 2HB TYR 74 10.058 2.685 -1.155 559 HB3 TYR 74 1HB TYR 74 8.466 3.382 -0.860 560 HD1 TYR 74 1HD TYR 74 10.914 0.848 0.245 561 HD2 TYR 74 2HD TYR 74 7.146 2.740 1.062 562 HE1 TYR 74 1HE TYR 74 10.913 -0.130 2.521 563 HE2 TYR 74 2HE TYR 74 7.145 1.753 3.337 564 HH TYR 74 HH TYR 74 9.327 -0.710 4.269 565 H VAL 75 H VAL 75 6.518 2.979 -2.345 566 HA VAL 75 HA VAL 75 4.591 1.994 -0.560 567 HB VAL 75 HB VAL 75 4.745 4.184 -2.368 568 HG11 VAL 75 1HG1 VAL 75 2.465 4.169 -3.377 569 HG12 VAL 75 2HG1 VAL 75 2.359 2.460 -3.011 570 HG13 VAL 75 3HG1 VAL 75 3.583 3.036 -4.126 571 HG21 VAL 75 3HG2 VAL 75 2.539 4.814 -1.258 572 HG22 VAL 75 1HG2 VAL 75 3.906 4.511 -0.182 573 HG23 VAL 75 2HG2 VAL 75 2.649 3.284 -0.392 574 H VAL 76 H VAL 76 5.046 1.327 -4.063 575 HA VAL 76 HA VAL 76 2.851 -0.514 -4.038 576 HB VAL 76 HB VAL 76 3.582 -1.286 -6.200 577 HG11 VAL 76 1HG1 VAL 76 4.224 1.661 -6.159 578 HG12 VAL 76 2HG1 VAL 76 2.593 1.082 -5.816 579 HG13 VAL 76 3HG1 VAL 76 3.340 0.743 -7.379 580 HG21 VAL 76 3HG2 VAL 76 6.067 0.370 -5.818 581 HG22 VAL 76 1HG2 VAL 76 5.693 -0.668 -7.182 582 HG23 VAL 76 2HG2 VAL 76 6.038 -1.372 -5.604 583 H LEU 77 H LEU 77 6.337 -0.818 -3.311 584 HA LEU 77 HA LEU 77 6.446 -3.624 -3.302 585 HB2 LEU 77 2HB LEU 77 8.480 -2.384 -2.967 586 HB3 LEU 77 1HB LEU 77 7.844 -1.623 -1.520 587 HG LEU 77 HG LEU 77 7.761 -3.884 -0.417 588 HD11 LEU 77 1HD1 LEU 77 9.381 -4.819 -2.796 589 HD12 LEU 77 2HD1 LEU 77 7.713 -5.278 -2.495 590 HD13 LEU 77 3HD1 LEU 77 8.973 -5.752 -1.369 591 HD21 LEU 77 3HD2 LEU 77 9.595 -2.518 0.134 592 HD22 LEU 77 1HD2 LEU 77 10.359 -2.765 -1.438 593 HD23 LEU 77 2HD2 LEU 77 10.301 -4.085 -0.270 594 H VAL 78 H VAL 78 5.600 -1.466 -0.550 595 HA VAL 78 HA VAL 78 5.037 -3.720 1.115 596 HB VAL 78 HB VAL 78 3.972 -2.180 2.695 597 HG11 VAL 78 1HG1 VAL 78 6.672 -1.701 1.532 598 HG12 VAL 78 2HG1 VAL 78 6.201 -2.232 3.152 599 HG13 VAL 78 3HG1 VAL 78 6.074 -0.529 2.712 600 HG21 VAL 78 3HG2 VAL 78 2.958 -0.647 0.958 601 HG22 VAL 78 1HG2 VAL 78 4.563 0.043 0.713 602 HG23 VAL 78 2HG2 VAL 78 3.774 0.179 2.277 603 H ALA 79 H ALA 79 2.998 -1.748 -1.011 604 HA ALA 79 HA ALA 79 0.544 -2.854 -0.018 605 HB1 ALA 79 1HB ALA 79 0.698 -1.996 -2.860 606 HB2 ALA 79 2HB ALA 79 1.074 -0.798 -1.631 607 HB3 ALA 79 3HB ALA 79 -0.486 -1.601 -1.612 608 H ALA 80 H ALA 80 2.555 -3.694 -2.827 609 HA ALA 80 HA ALA 80 0.938 -5.815 -3.751 610 HB1 ALA 80 1HB ALA 80 3.879 -5.199 -4.093 611 HB2 ALA 80 2HB ALA 80 2.568 -4.907 -5.240 612 HB3 ALA 80 3HB ALA 80 3.084 -6.559 -4.888 613 H LEU 81 H LEU 81 3.644 -5.636 -1.436 614 HA LEU 81 HA LEU 81 3.727 -8.460 -1.011 615 HB2 LEU 81 2HB LEU 81 4.865 -6.090 0.380 616 HB3 LEU 81 1HB LEU 81 4.696 -7.569 1.322 617 HG LEU 81 HG LEU 81 6.078 -8.808 -0.180 618 HD11 LEU 81 1HD1 LEU 81 5.552 -8.273 -2.369 619 HD12 LEU 81 2HD1 LEU 81 7.087 -7.432 -2.203 620 HD13 LEU 81 3HD1 LEU 81 5.578 -6.541 -2.068 621 HD21 LEU 81 3HD2 LEU 81 7.274 -6.041 0.144 622 HD22 LEU 81 1HD2 LEU 81 8.180 -7.522 -0.164 623 HD23 LEU 81 2HD2 LEU 81 7.302 -7.323 1.353 624 H THR 82 H THR 82 1.771 -5.839 0.363 625 HA THR 82 HA THR 82 0.708 -7.335 2.524 626 HB THR 82 HB THR 82 -0.679 -5.178 0.915 627 HG1 THR 82 1HG THR 82 1.530 -4.853 1.948 628 HG21 THR 82 3HG2 THR 82 -1.182 -6.546 3.517 629 HG22 THR 82 1HG2 THR 82 -2.329 -5.916 2.334 630 HG23 THR 82 2HG2 THR 82 -1.497 -4.815 3.431 631 H VAL 83 H VAL 83 -0.605 -6.801 -0.774 632 HA VAL 83 HA VAL 83 -2.822 -8.550 -0.349 633 HB VAL 83 HB VAL 83 -2.845 -6.942 -2.219 634 HG11 VAL 83 1HG1 VAL 83 -0.409 -7.425 -2.873 635 HG12 VAL 83 2HG1 VAL 83 -1.546 -7.208 -4.172 636 HG13 VAL 83 3HG1 VAL 83 -1.029 -8.831 -3.717 637 HG21 VAL 83 3HG2 VAL 83 -2.991 -9.687 -3.437 638 HG22 VAL 83 1HG2 VAL 83 -4.094 -8.323 -3.632 639 HG23 VAL 83 2HG2 VAL 83 -4.092 -9.246 -2.129 640 H ALA 84 H ALA 84 0.453 -9.133 -1.542 641 HA ALA 84 HA ALA 84 0.024 -11.836 -2.295 642 HB1 ALA 84 1HB ALA 84 2.007 -10.383 -2.907 643 HB2 ALA 84 2HB ALA 84 2.403 -12.017 -2.373 644 HB3 ALA 84 3HB ALA 84 2.608 -10.655 -1.270 645 H CYS 85 H CHC 85 0.768 -10.230 0.730 646 HA CYS 85 HA CHC 85 1.473 -12.500 2.250 647 HB2 CYS 85 2HB CHC 85 1.837 -10.115 2.944 648 HB3 CYS 85 1HB CHC 85 0.103 -9.988 3.235 649 H ASN 86 H ASN 86 -1.629 -10.714 1.985 650 HA ASN 86 HA ASN 86 -3.096 -12.545 3.541 651 HB2 ASN 86 2HB ASN 86 -3.967 -10.337 2.719 652 HB3 ASN 86 1HB ASN 86 -4.156 -11.065 1.123 653 HD21 ASN 86 1HD2 ASN 86 -5.161 -11.555 4.549 654 HD22 ASN 86 2HD2 ASN 86 -6.645 -12.282 4.161 655 H ASN 87 H ASN 87 -2.250 -12.545 0.084 656 HA ASN 87 HA ASN 87 -3.755 -14.831 -0.672 657 HB2 ASN 87 2HB ASN 87 -1.119 -13.788 -1.735 658 HB3 ASN 87 1HB ASN 87 -2.101 -15.028 -2.512 659 HD21 ASN 87 1HD2 ASN 87 -1.546 -12.540 -3.820 660 HD22 ASN 87 2HD2 ASN 87 -2.999 -11.672 -3.949 661 H PHE 88 H PHE 88 -0.426 -14.616 0.717 662 HA PHE 88 HA PHE 88 -0.135 -17.439 0.430 663 HB2 PHE 88 2HB PHE 88 1.291 -15.500 2.285 664 HB3 PHE 88 1HB PHE 88 1.672 -17.219 2.200 665 HD1 PHE 88 1HD PHE 88 2.202 -18.195 -0.146 666 HD2 PHE 88 2HD PHE 88 2.301 -14.005 0.775 667 HE1 PHE 88 1HE PHE 88 3.649 -17.796 -2.118 668 HE2 PHE 88 2HE PHE 88 3.735 -13.600 -1.206 669 HZ PHE 88 HZ PHE 88 4.411 -15.497 -2.652 670 H PHE 89 H PHE 89 -1.518 -15.390 2.982 671 HA PHE 89 HA PHE 89 -1.705 -17.443 4.928 672 HB2 PHE 89 2HB PHE 89 -1.993 -15.034 5.420 673 HB3 PHE 89 1HB PHE 89 -3.537 -15.065 4.568 674 HD1 PHE 89 1HD PHE 89 -1.685 -16.353 7.508 675 HD2 PHE 89 2HD PHE 89 -5.494 -16.072 5.542 676 HE1 PHE 89 1HE PHE 89 -2.804 -17.193 9.556 677 HE2 PHE 89 2HE PHE 89 -6.613 -16.912 7.590 678 HZ PHE 89 HZ PHE 89 -5.268 -17.473 9.597 679 H TRP 90 H TRP 90 -4.396 -16.145 2.890 680 HA TRP 90 HA TRP 90 -6.107 -18.350 3.533 681 HB2 TRP 90 2HB TRP 90 -7.022 -16.183 2.807 682 HB3 TRP 90 1HB TRP 90 -6.337 -16.452 1.198 683 HD1 TRP 90 HD TRP 90 -7.142 -18.716 -0.064 684 HE1 TRP 90 1HE TRP 90 -9.415 -19.891 -0.065 685 HE3 TRP 90 3HE TRP 90 -9.154 -16.663 4.142 686 HZ2 TRP 90 2HZ TRP 90 -11.812 -19.944 1.516 687 HZ3 TRP 90 3HZ TRP 90 -11.438 -17.290 4.874 688 HH2 TRP 90 HH TRP 90 -12.768 -18.927 3.569 689 H GLU 91 H GLU 91 -4.104 -17.554 0.785 690 HA GLU 91 HA GLU 91 -4.683 -20.124 -0.490 691 HB2 GLU 91 2HB GLU 91 -3.396 -17.569 -1.430 692 HB3 GLU 91 1HB GLU 91 -3.279 -19.011 -2.361 693 HG2 GLU 91 2HG GLU 91 -5.819 -17.616 -1.481 694 HG3 GLU 91 1HG GLU 91 -5.152 -17.601 -3.107 695 H ASN 92 H ASN 92 -3.050 -21.566 -1.097 696 HA ASN 92 HA ASN 92 -1.124 -22.780 -0.815 697 HB2 ASN 92 2HB ASN 92 0.075 -20.022 -0.464 698 HB3 ASN 92 1HB ASN 92 0.994 -21.504 -0.713 699 HD21 ASN 92 1HD2 ASN 92 1.132 -19.331 -2.580 700 HD22 ASN 92 2HD2 ASN 92 0.420 -19.838 -4.035 701 H SER 93 H SER 93 -2.753 -22.622 1.416 702 HA SER 93 HA SER 93 -0.774 -22.981 3.538 703 HB2 SER 93 2HB SER 93 -1.805 -21.517 5.093 704 HB3 SER 93 1HB SER 93 -1.700 -20.584 3.602 705 HG SER 93 HG SER 93 -3.844 -20.983 3.220 706 H1 GLY 1 H GLY 1 7.329 -6.933 17.798 707 HA2 GLY 1 2HA GLY 1 6.180 -7.908 15.641 708 HA3 GLY 1 1HA GLY 1 4.819 -6.983 16.270 709 H SER 2 H SER 2 5.487 -6.202 13.879 710 HA SER 2 HA SER 2 7.209 -3.810 14.222 711 HB2 SER 2 2HB SER 2 8.137 -5.464 12.640 712 HB3 SER 2 1HB SER 2 6.651 -5.387 11.700 713 HG SER 2 HG SER 2 7.946 -3.926 10.754 714 H GLU 3 H GLU 3 6.401 -1.846 13.593 715 HA GLU 3 HA GLU 3 3.604 -1.485 13.500 716 HB2 GLU 3 2HB GLU 3 5.868 0.354 12.712 717 HB3 GLU 3 1HB GLU 3 4.182 0.857 12.822 718 HG2 GLU 3 2HG GLU 3 4.136 0.140 15.185 719 HG3 GLU 3 1HG GLU 3 5.839 -0.304 15.074 720 H LEU 4 H LEU 4 6.039 -1.643 10.910 721 HA LEU 4 HA LEU 4 4.355 -0.746 8.834 722 HB2 LEU 4 2HB LEU 4 6.900 -1.222 8.860 723 HB3 LEU 4 1HB LEU 4 6.454 -2.887 8.496 724 HG LEU 4 HG LEU 4 5.456 -0.539 6.861 725 HD11 LEU 4 1HD1 LEU 4 7.255 -0.807 5.310 726 HD12 LEU 4 2HD1 LEU 4 7.882 -2.210 6.171 727 HD13 LEU 4 3HD1 LEU 4 7.973 -0.609 6.905 728 HD21 LEU 4 3HD2 LEU 4 4.336 -2.076 5.714 729 HD22 LEU 4 1HD2 LEU 4 4.953 -3.361 6.741 730 HD23 LEU 4 2HD2 LEU 4 5.836 -2.893 5.297 731 H GLU 5 H GLU 5 4.930 -3.958 10.247 732 HA GLU 5 HA GLU 5 3.241 -5.397 8.469 733 HB2 GLU 5 2HB GLU 5 4.141 -6.011 11.288 734 HB3 GLU 5 1HB GLU 5 3.217 -7.130 10.288 735 HG2 GLU 5 2HG GLU 5 5.000 -7.034 8.577 736 HG3 GLU 5 1HG GLU 5 5.932 -5.968 9.623 737 H THR 6 H THR 6 2.687 -3.711 11.528 738 HA THR 6 HA THR 6 0.066 -4.627 11.986 739 HB THR 6 HB THR 6 1.172 -1.875 12.607 740 HG1 THR 6 1HG THR 6 1.832 -2.815 14.532 741 HG21 THR 6 3HG2 THR 6 -1.230 -1.996 12.911 742 HG22 THR 6 1HG2 THR 6 -0.467 -2.044 14.501 743 HG23 THR 6 2HG2 THR 6 -1.084 -3.528 13.773 744 H ALA 7 H ALA 7 1.389 -1.991 10.065 745 HA ALA 7 HA ALA 7 -1.100 -0.875 9.251 746 HB1 ALA 7 1HB ALA 7 0.144 0.433 7.780 747 HB2 ALA 7 2HB ALA 7 1.312 -0.849 7.469 748 HB3 ALA 7 3HB ALA 7 1.351 0.027 8.997 749 H MET 8 H MET 8 1.064 -3.270 7.745 750 HA MET 8 HA MET 8 -0.427 -3.695 5.384 751 HB2 MET 8 2HB MET 8 1.378 -5.522 7.004 752 HB3 MET 8 1HB MET 8 0.772 -5.922 5.397 753 HG2 MET 8 2HG MET 8 1.853 -3.916 4.468 754 HG3 MET 8 1HG MET 8 2.442 -3.465 6.056 755 HE1 MET 8 3HE MET 8 2.593 -5.671 3.053 756 HE2 MET 8 1HE MET 8 2.320 -7.037 4.144 757 HE3 MET 8 2HE MET 8 3.869 -6.849 3.330 758 H GLU 9 H GLU 9 -0.614 -5.190 8.595 759 HA GLU 9 HA GLU 9 -2.642 -7.066 7.944 760 HB2 GLU 9 2HB GLU 9 -1.833 -5.850 10.591 761 HB3 GLU 9 1HB GLU 9 -3.019 -7.145 10.422 762 HG2 GLU 9 2HG GLU 9 -1.313 -8.542 9.291 763 HG3 GLU 9 1HG GLU 9 -0.126 -7.265 9.522 764 H THR 10 H THR 10 -2.684 -3.697 9.037 765 HA THR 10 HA THR 10 -5.459 -3.585 9.580 766 HB THR 10 HB THR 10 -3.703 -1.361 8.546 767 HG1 THR 10 1HG THR 10 -4.118 -1.214 11.139 768 HG21 THR 10 3HG2 THR 10 -6.088 -0.833 8.444 769 HG22 THR 10 1HG2 THR 10 -5.346 0.066 9.771 770 HG23 THR 10 2HG2 THR 10 -6.301 -1.379 10.110 771 H LEU 11 H LEU 11 -3.567 -2.989 6.595 772 HA LEU 11 HA LEU 11 -5.793 -2.187 5.030 773 HB2 LEU 11 2HB LEU 11 -3.371 -3.720 4.057 774 HB3 LEU 11 1HB LEU 11 -4.445 -2.732 3.078 775 HG LEU 11 HG LEU 11 -2.551 -1.775 5.235 776 HD11 LEU 11 1HD1 LEU 11 -1.680 -0.437 3.245 777 HD12 LEU 11 2HD1 LEU 11 -2.669 -1.494 2.236 778 HD13 LEU 11 3HD1 LEU 11 -1.369 -2.173 3.216 779 HD21 LEU 11 3HD2 LEU 11 -4.773 -0.356 3.776 780 HD22 LEU 11 1HD2 LEU 11 -3.341 0.525 4.299 781 HD23 LEU 11 2HD2 LEU 11 -4.352 -0.285 5.491 782 H ILE 12 H ILE 12 -4.329 -5.340 5.711 783 HA ILE 12 HA ILE 12 -6.048 -6.841 4.027 784 HB ILE 12 HB ILE 12 -4.656 -7.666 6.582 785 HG12 ILE 12 2HG1 ILE 12 -3.917 -8.206 3.695 786 HG13 ILE 12 1HG1 ILE 12 -3.238 -6.882 4.620 787 HG21 ILE 12 1HG2 ILE 12 -6.469 -9.200 6.147 788 HG22 ILE 12 2HG2 ILE 12 -4.970 -9.978 5.638 789 HG23 ILE 12 3HG2 ILE 12 -6.055 -9.280 4.436 790 HD11 ILE 12 3HD1 ILE 12 -1.973 -9.185 4.511 791 HD12 ILE 12 1HD1 ILE 12 -3.152 -9.670 5.734 792 HD13 ILE 12 2HD1 ILE 12 -2.063 -8.318 6.047 793 H ASN 13 H ASN 13 -6.345 -5.961 7.448 794 HA ASN 13 HA ASN 13 -8.709 -7.376 7.963 795 HB2 ASN 13 2HB ASN 13 -7.596 -4.881 9.237 796 HB3 ASN 13 1HB ASN 13 -8.950 -5.807 9.884 797 HD21 ASN 13 1HD2 ASN 13 -6.516 -5.523 11.364 798 HD22 ASN 13 2HD2 ASN 13 -5.763 -7.042 11.448 799 H VAL 14 H VAL 14 -8.300 -3.998 6.810 800 HA VAL 14 HA VAL 14 -11.131 -3.547 6.963 801 HB VAL 14 HB VAL 14 -10.765 -1.403 5.913 802 HG11 VAL 14 1HG1 VAL 14 -9.485 -0.442 7.621 803 HG12 VAL 14 2HG1 VAL 14 -8.360 -1.797 7.677 804 HG13 VAL 14 3HG1 VAL 14 -9.987 -1.977 8.328 805 HG21 VAL 14 3HG2 VAL 14 -8.048 -2.516 5.196 806 HG22 VAL 14 1HG2 VAL 14 -8.309 -0.784 5.341 807 HG23 VAL 14 2HG2 VAL 14 -9.215 -1.722 4.150 808 H PHE 15 H PHE 15 -8.926 -4.433 4.295 809 HA PHE 15 HA PHE 15 -10.861 -4.279 2.237 810 HB2 PHE 15 2HB PHE 15 -8.481 -4.540 1.746 811 HB3 PHE 15 1HB PHE 15 -8.490 -6.139 2.492 812 HD1 PHE 15 1HD PHE 15 -10.236 -4.158 -0.179 813 HD2 PHE 15 2HD PHE 15 -8.968 -8.016 1.217 814 HE1 PHE 15 1HE PHE 15 -11.017 -5.192 -2.294 815 HE2 PHE 15 2HE PHE 15 -9.740 -9.039 -0.901 816 HZ PHE 15 HZ PHE 15 -10.770 -7.626 -2.658 817 H HIS 16 H HIS 16 -9.854 -6.929 4.337 818 HA HIS 16 HA HIS 16 -11.762 -8.763 3.338 819 HB2 HIS 16 2HB HIS 16 -9.730 -9.476 4.581 820 HB3 HIS 16 1HB HIS 16 -10.405 -8.755 6.041 821 HD1 HIS 16 1HD HIS 16 -11.549 -11.268 3.395 822 HD2 HIS 16 2HD HIS 16 -11.862 -10.586 7.495 823 HE1 HIS 16 1HE HIS 16 -12.860 -13.214 4.346 824 HE2 HIS 16 2HE HIS 16 -13.059 -12.814 6.846 825 H ALA 17 H ALA 17 -11.848 -6.325 5.839 826 HA ALA 17 HA ALA 17 -14.141 -7.215 7.157 827 HB1 ALA 17 1HB ALA 17 -12.741 -5.255 7.871 828 HB2 ALA 17 2HB ALA 17 -14.463 -4.898 7.838 829 HB3 ALA 17 3HB ALA 17 -13.421 -4.322 6.526 830 H HIS 18 H HIS 18 -13.851 -4.920 4.419 831 HA HIS 18 HA HIS 18 -16.756 -4.985 4.151 832 HB2 HIS 18 2HB HIS 18 -14.569 -3.515 2.748 833 HB3 HIS 18 1HB HIS 18 -16.178 -3.586 2.027 834 HD1 HIS 18 1HD HIS 18 -17.835 -1.933 2.916 835 HD2 HIS 18 2HD HIS 18 -14.742 -2.598 5.630 836 HE1 HIS 18 1HE HIS 18 -18.285 -0.434 4.904 837 HE2 HIS 18 2HE HIS 18 -16.408 -0.821 6.563 838 H SER 19 H SER 19 -14.064 -6.183 2.124 839 HA SER 19 HA SER 19 -15.667 -7.191 0.067 840 HB2 SER 19 2HB SER 19 -13.222 -7.080 -0.079 841 HB3 SER 19 1HB SER 19 -13.091 -8.347 1.141 842 HG SER 19 HG SER 19 -13.941 -9.785 -0.247 843 H GLY 20 H GLY 20 -14.569 -8.702 3.078 844 HA2 GLY 20 2HA GLY 20 -15.878 -11.186 2.556 845 HA3 GLY 20 1HA GLY 20 -15.162 -10.703 4.077 846 H LYS 21 H LYS 21 -16.625 -8.348 4.595 847 HA LYS 21 HA LYS 21 -18.912 -9.391 5.840 848 HB2 LYS 21 2HB LYS 21 -17.837 -7.372 6.586 849 HB3 LYS 21 1HB LYS 21 -18.281 -6.536 5.094 850 HG2 LYS 21 2HG LYS 21 -20.660 -6.808 5.679 851 HG3 LYS 21 1HG LYS 21 -20.198 -7.670 7.151 852 HD2 LYS 21 2HD LYS 21 -20.607 -5.342 7.715 853 HD3 LYS 21 1HD LYS 21 -18.884 -5.655 7.855 854 HE2 LYS 21 2HE LYS 21 -19.833 -4.737 5.188 855 HE3 LYS 21 1HE LYS 21 -19.900 -3.549 6.489 856 HZ1 LYS 21 3HZ LYS 21 -17.605 -3.824 6.917 857 HZ2 LYS 21 1HZ LYS 21 -17.761 -3.624 5.241 858 HZ3 LYS 21 2HZ LYS 21 -17.493 -5.171 5.890 859 H GLU 22 H GLU 22 -18.723 -7.655 2.695 860 HA GLU 22 HA GLU 22 -21.581 -8.397 2.332 861 HB2 GLU 22 2HB GLU 22 -21.223 -5.968 2.650 862 HB3 GLU 22 1HB GLU 22 -20.204 -5.960 1.212 863 HG2 GLU 22 2HG GLU 22 -22.437 -5.294 0.548 864 HG3 GLU 22 1HG GLU 22 -22.149 -6.913 -0.083 865 H GLY 23 H GLY 23 -22.269 -9.244 0.493 866 HA2 GLY 23 2HA GLY 23 -22.258 -10.327 -1.520 867 HA3 GLY 23 1HA GLY 23 -21.056 -9.147 -2.018 868 H ASP 24 H ASP 24 -19.743 -10.436 -3.155 869 HA ASP 24 HA ASP 24 -18.857 -13.014 -2.309 870 HB2 ASP 24 2HB ASP 24 -17.808 -11.106 -4.409 871 HB3 ASP 24 1HB ASP 24 -17.209 -12.748 -4.176 872 H LYS 25 H LYS 25 -16.868 -13.615 -1.445 873 HA LYS 25 HA LYS 25 -15.608 -11.562 0.193 874 HB2 LYS 25 2HB LYS 25 -14.949 -14.518 -0.030 875 HB3 LYS 25 1HB LYS 25 -14.423 -13.402 1.240 876 HG2 LYS 25 2HG LYS 25 -16.883 -13.001 1.795 877 HG3 LYS 25 1HG LYS 25 -17.286 -14.312 0.692 878 HD2 LYS 25 2HD LYS 25 -15.444 -14.561 3.093 879 HD3 LYS 25 1HD LYS 25 -17.121 -15.101 3.039 880 HE2 LYS 25 2HE LYS 25 -14.741 -16.202 1.556 881 HE3 LYS 25 1HE LYS 25 -15.921 -17.062 2.543 882 HZ1 LYS 25 3HZ LYS 25 -17.598 -16.653 0.881 883 HZ2 LYS 25 1HZ LYS 25 -16.266 -17.420 0.164 884 HZ3 LYS 25 2HZ LYS 25 -16.505 -15.753 -0.057 885 H TYR 26 H TYR 26 -13.376 -11.055 0.091 886 HA TYR 26 HA TYR 26 -11.402 -10.556 -0.950 887 HB2 TYR 26 2HB TYR 26 -11.856 -13.205 -2.330 888 HB3 TYR 26 1HB TYR 26 -10.327 -12.329 -2.247 889 HD1 TYR 26 2HD TYR 26 -9.278 -11.878 0.005 890 HD2 TYR 26 1HD TYR 26 -12.618 -14.530 -0.499 891 HE1 TYR 26 2HE TYR 26 -8.826 -12.869 2.232 892 HE2 TYR 26 1HE TYR 26 -12.168 -15.519 1.731 893 HH TYR 26 HH TYR 26 -10.932 -15.415 3.569 894 H LYS 27 H LYS 27 -14.155 -10.091 -2.301 895 HA LYS 27 HA LYS 27 -12.985 -8.999 -4.761 896 HB2 LYS 27 2HB LYS 27 -14.232 -11.176 -5.288 897 HB3 LYS 27 1HB LYS 27 -15.699 -10.335 -4.793 898 HG2 LYS 27 2HG LYS 27 -15.633 -10.017 -7.135 899 HG3 LYS 27 1HG LYS 27 -14.989 -8.510 -6.480 900 HD2 LYS 27 2HD LYS 27 -12.720 -9.161 -6.955 901 HD3 LYS 27 1HD LYS 27 -13.197 -10.821 -7.291 902 HE2 LYS 27 2HE LYS 27 -13.725 -8.354 -8.957 903 HE3 LYS 27 1HE LYS 27 -12.804 -9.781 -9.400 904 HZ1 LYS 27 3HZ LYS 27 -14.804 -11.098 -9.322 905 HZ2 LYS 27 1HZ LYS 27 -15.016 -9.795 -10.387 906 HZ3 LYS 27 2HZ LYS 27 -15.720 -9.752 -8.843 907 H LEU 28 H LEU 28 -13.706 -6.878 -5.122 908 HA LEU 28 HA LEU 28 -15.609 -5.876 -3.086 909 HB2 LEU 28 2HB LEU 28 -13.067 -5.266 -3.214 910 HB3 LEU 28 1HB LEU 28 -13.556 -4.260 -4.532 911 HG LEU 28 HG LEU 28 -15.074 -2.975 -3.119 912 HD11 LEU 28 1HD1 LEU 28 -15.892 -4.231 -1.335 913 HD12 LEU 28 2HD1 LEU 28 -14.578 -3.404 -0.514 914 HD13 LEU 28 3HD1 LEU 28 -14.354 -5.058 -1.066 915 HD21 LEU 28 3HD2 LEU 28 -12.237 -3.301 -2.065 916 HD22 LEU 28 1HD2 LEU 28 -13.288 -1.982 -1.588 917 HD23 LEU 28 2HD2 LEU 28 -12.786 -2.151 -3.274 918 H SER 29 H SER 29 -17.438 -4.880 -3.745 919 HA SER 29 HA SER 29 -17.790 -4.284 -6.613 920 HB2 SER 29 2HB SER 29 -19.397 -5.890 -5.756 921 HB3 SER 29 1HB SER 29 -19.818 -4.809 -4.446 922 HG SER 29 HG SER 29 -21.318 -4.542 -6.071 923 H LYS 30 H LYS 30 -19.026 -2.349 -7.197 924 HA LYS 30 HA LYS 30 -17.969 -0.008 -6.188 925 HB2 LYS 30 2HB LYS 30 -19.282 -0.205 -8.298 926 HB3 LYS 30 1HB LYS 30 -20.743 -0.282 -7.319 927 HG2 LYS 30 2HG LYS 30 -20.115 1.936 -6.306 928 HG3 LYS 30 1HG LYS 30 -18.759 2.006 -7.429 929 HD2 LYS 30 2HD LYS 30 -20.570 3.247 -8.417 930 HD3 LYS 30 1HD LYS 30 -20.413 1.734 -9.314 931 HE2 LYS 30 2HE LYS 30 -22.425 0.931 -8.572 932 HE3 LYS 30 1HE LYS 30 -22.233 1.615 -6.953 933 HZ1 LYS 30 3HZ LYS 30 -22.892 3.172 -9.403 934 HZ2 LYS 30 1HZ LYS 30 -22.787 3.780 -7.824 935 HZ3 LYS 30 2HZ LYS 30 -24.016 2.680 -8.228 936 H LYS 31 H LYS 31 -21.090 -1.480 -5.413 937 HA LYS 31 HA LYS 31 -21.997 0.530 -3.705 938 HB2 LYS 31 2HB LYS 31 -23.584 -1.111 -2.920 939 HB3 LYS 31 1HB LYS 31 -23.323 -1.402 -4.641 940 HG2 LYS 31 2HG LYS 31 -21.585 -3.129 -4.000 941 HG3 LYS 31 1HG LYS 31 -22.102 -2.904 -2.326 942 HD2 LYS 31 2HD LYS 31 -24.389 -3.411 -3.016 943 HD3 LYS 31 1HD LYS 31 -23.797 -3.891 -4.598 944 HE2 LYS 31 2HE LYS 31 -22.487 -5.666 -3.641 945 HE3 LYS 31 1HE LYS 31 -22.760 -5.068 -2.004 946 HZ1 LYS 31 3HZ LYS 31 -24.247 -6.830 -2.264 947 HZ2 LYS 31 1HZ LYS 31 -24.693 -6.358 -3.830 948 HZ3 LYS 31 2HZ LYS 31 -25.203 -5.445 -2.491 949 H GLU 32 H GLU 32 -20.281 -2.503 -3.020 950 HA GLU 32 HA GLU 32 -20.097 -2.202 -0.230 951 HB2 GLU 32 2HB GLU 32 -18.205 -3.608 -2.127 952 HB3 GLU 32 1HB GLU 32 -18.223 -3.823 -0.380 953 HG2 GLU 32 2HG GLU 32 -20.596 -4.575 -0.544 954 HG3 GLU 32 1HG GLU 32 -20.474 -4.463 -2.294 955 H LEU 33 H LEU 33 -17.630 -1.311 -2.747 956 HA LEU 33 HA LEU 33 -15.834 -0.370 -0.783 957 HB2 LEU 33 2HB LEU 33 -14.726 0.960 -2.587 958 HB3 LEU 33 1HB LEU 33 -14.840 -0.754 -2.845 959 HG LEU 33 HG LEU 33 -17.129 0.049 -4.088 960 HD11 LEU 33 1HD1 LEU 33 -16.428 2.469 -3.738 961 HD12 LEU 33 2HD1 LEU 33 -16.650 2.029 -5.426 962 HD13 LEU 33 3HD1 LEU 33 -15.027 2.149 -4.764 963 HD21 LEU 33 3HD2 LEU 33 -15.742 -1.484 -5.225 964 HD22 LEU 33 1HD2 LEU 33 -14.304 -0.491 -5.010 965 HD23 LEU 33 2HD2 LEU 33 -15.507 -0.030 -6.203 966 H LYS 34 H LYS 34 -18.542 1.159 -2.410 967 HA LYS 34 HA LYS 34 -17.922 3.776 -1.651 968 HB2 LYS 34 2HB LYS 34 -19.908 3.142 -3.044 969 HB3 LYS 34 1HB LYS 34 -20.671 2.496 -1.594 970 HG2 LYS 34 2HG LYS 34 -21.552 4.689 -1.788 971 HG3 LYS 34 1HG LYS 34 -20.289 4.835 -0.567 972 HD2 LYS 34 2HD LYS 34 -18.730 5.724 -2.215 973 HD3 LYS 34 1HD LYS 34 -19.883 5.429 -3.508 974 HE2 LYS 34 2HE LYS 34 -20.401 7.632 -3.157 975 HE3 LYS 34 1HE LYS 34 -21.398 6.973 -1.858 976 HZ1 LYS 34 3HZ LYS 34 -18.807 8.331 -1.715 977 HZ2 LYS 34 1HZ LYS 34 -19.145 7.137 -0.559 978 HZ3 LYS 34 2HZ LYS 34 -20.168 8.484 -0.710 979 H GLU 35 H GLU 35 -19.205 1.013 0.180 980 HA GLU 35 HA GLU 35 -19.687 2.582 2.552 981 HB2 GLU 35 2HB GLU 35 -19.490 -0.400 2.112 982 HB3 GLU 35 1HB GLU 35 -19.967 0.359 3.630 983 HG2 GLU 35 2HG GLU 35 -21.827 1.504 2.457 984 HG3 GLU 35 1HG GLU 35 -21.376 0.674 0.969 985 H LEU 36 H LEU 36 -17.047 0.425 1.456 986 HA LEU 36 HA LEU 36 -15.624 0.417 3.906 987 HB2 LEU 36 2HB LEU 36 -15.316 -1.082 1.830 988 HB3 LEU 36 1HB LEU 36 -14.328 0.219 1.186 989 HG LEU 36 HG LEU 36 -13.800 -1.360 3.754 990 HD11 LEU 36 1HD1 LEU 36 -12.187 -2.485 2.592 991 HD12 LEU 36 2HD1 LEU 36 -11.880 -1.159 1.479 992 HD13 LEU 36 3HD1 LEU 36 -13.294 -2.181 1.256 993 HD21 LEU 36 3HD2 LEU 36 -12.517 1.130 2.625 994 HD22 LEU 36 1HD2 LEU 36 -11.551 -0.033 3.522 995 HD23 LEU 36 2HD2 LEU 36 -12.925 0.740 4.295 996 H LEU 37 H LEU 37 -15.248 2.556 1.015 997 HA LEU 37 HA LEU 37 -13.055 3.972 2.127 998 HB2 LEU 37 2HB LEU 37 -15.048 4.742 -0.002 999 HB3 LEU 37 1HB LEU 37 -13.758 5.821 0.510 1000 HG LEU 37 HG LEU 37 -13.335 4.289 -1.546 1001 HD11 LEU 37 1HD1 LEU 37 -11.299 4.123 0.687 1002 HD12 LEU 37 2HD1 LEU 37 -11.608 5.598 -0.230 1003 HD13 LEU 37 3HD1 LEU 37 -10.992 4.165 -1.049 1004 HD21 LEU 37 3HD2 LEU 37 -12.595 2.055 -1.094 1005 HD22 LEU 37 1HD2 LEU 37 -14.175 2.241 -0.356 1006 HD23 LEU 37 2HD2 LEU 37 -12.733 2.299 0.642 1007 H GLN 38 H GLN 38 -16.563 4.603 2.236 1008 HA GLN 38 HA GLN 38 -16.335 7.070 3.599 1009 HB2 GLN 38 2HB GLN 38 -18.596 5.073 3.514 1010 HB3 GLN 38 1HB GLN 38 -18.714 6.662 4.269 1011 HG2 GLN 38 2HG GLN 38 -18.077 7.709 2.105 1012 HG3 GLN 38 1HG GLN 38 -18.061 6.117 1.355 1013 HE21 GLN 38 1HE2 GLN 38 -20.464 5.919 3.627 1014 HE22 GLN 38 2HE2 GLN 38 -21.791 6.387 2.678 1015 H THR 39 H THR 39 -16.581 3.728 4.817 1016 HA THR 39 HA THR 39 -16.814 4.565 7.548 1017 HB THR 39 HB THR 39 -16.346 2.220 8.103 1018 HG1 THR 39 1HG THR 39 -16.285 1.279 5.587 1019 HG21 THR 39 3HG2 THR 39 -18.598 2.422 7.647 1020 HG22 THR 39 1HG2 THR 39 -18.145 1.264 6.400 1021 HG23 THR 39 2HG2 THR 39 -18.329 2.969 5.994 1022 H GLU 40 H GLU 40 -14.088 3.698 5.472 1023 HA GLU 40 HA GLU 40 -12.233 4.063 7.698 1024 HB2 GLU 40 2HB GLU 40 -11.860 3.143 4.855 1025 HB3 GLU 40 1HB GLU 40 -10.524 3.420 5.960 1026 HG2 GLU 40 2HG GLU 40 -12.837 1.541 6.501 1027 HG3 GLU 40 1HG GLU 40 -11.250 1.036 5.935 1028 H LEU 41 H LEU 41 -12.629 5.428 4.402 1029 HA LEU 41 HA LEU 41 -11.018 7.738 5.286 1030 HB2 LEU 41 2HB LEU 41 -11.827 7.009 2.464 1031 HB3 LEU 41 1HB LEU 41 -10.680 8.248 2.942 1032 HG LEU 41 HG LEU 41 -10.365 5.247 3.211 1033 HD11 LEU 41 1HD1 LEU 41 -8.357 7.054 1.931 1034 HD12 LEU 41 2HD1 LEU 41 -9.854 6.759 1.057 1035 HD13 LEU 41 3HD1 LEU 41 -8.818 5.406 1.508 1036 HD21 LEU 41 3HD2 LEU 41 -8.003 5.973 4.030 1037 HD22 LEU 41 1HD2 LEU 41 -9.328 5.989 5.191 1038 HD23 LEU 41 2HD2 LEU 41 -8.777 7.498 4.445 1039 H SER 42 H SER 42 -11.756 9.803 5.209 1040 HA SER 42 HA SER 42 -14.641 10.115 4.607 1041 HB2 SER 42 2HB SER 42 -14.809 11.696 6.341 1042 HB3 SER 42 1HB SER 42 -13.802 10.423 7.022 1043 HG SER 42 HG SER 42 -12.968 12.576 7.323 1044 H GLY 43 H GLY 43 -11.827 12.259 4.988 1045 HA2 GLY 43 2HA GLY 43 -12.710 14.258 3.267 1046 HA3 GLY 43 1HA GLY 43 -11.037 13.990 3.719 1047 H PHE 44 H PHE 44 -10.747 11.372 2.451 1048 HA PHE 44 HA PHE 44 -9.975 12.244 -0.107 1049 HB2 PHE 44 2HB PHE 44 -10.421 9.464 0.983 1050 HB3 PHE 44 1HB PHE 44 -9.734 9.783 -0.610 1051 HD1 PHE 44 1HD PHE 44 -7.570 10.950 -0.842 1052 HD2 PHE 44 2HD PHE 44 -9.142 9.894 3.020 1053 HE1 PHE 44 1HE PHE 44 -5.340 11.326 0.175 1054 HE2 PHE 44 2HE PHE 44 -6.912 10.268 4.028 1055 HZ PHE 44 HZ PHE 44 -5.012 10.983 2.607 1056 H LEU 45 H LEU 45 -12.748 10.115 0.728 1057 HA LEU 45 HA LEU 45 -13.775 10.279 -1.961 1058 HB2 LEU 45 2HB LEU 45 -14.513 8.839 0.505 1059 HB3 LEU 45 1HB LEU 45 -15.892 9.337 -0.473 1060 HG LEU 45 HG LEU 45 -14.931 7.044 -1.044 1061 HD11 LEU 45 1HD1 LEU 45 -15.686 9.283 -2.776 1062 HD12 LEU 45 2HD1 LEU 45 -16.144 7.580 -2.871 1063 HD13 LEU 45 3HD1 LEU 45 -14.648 8.127 -3.624 1064 HD21 LEU 45 3HD2 LEU 45 -12.484 8.312 -0.944 1065 HD22 LEU 45 1HD2 LEU 45 -12.790 8.287 -2.685 1066 HD23 LEU 45 2HD2 LEU 45 -12.787 6.786 -1.766 1067 H ASP 46 H ASP 46 -14.462 11.883 1.058 1068 HA ASP 46 HA ASP 46 -16.820 13.162 0.288 1069 HB2 ASP 46 2HB ASP 46 -15.935 13.093 2.620 1070 HB3 ASP 46 1HB ASP 46 -14.707 14.267 2.154 1071 H ALA 47 H ALA 47 -13.492 13.846 -0.465 1072 HA ALA 47 HA ALA 47 -13.603 16.525 -1.146 1073 HB1 ALA 47 1HB ALA 47 -12.005 14.271 -2.365 1074 HB2 ALA 47 2HB ALA 47 -11.494 15.393 -1.104 1075 HB3 ALA 47 3HB ALA 47 -11.742 15.972 -2.751 1076 H GLN 48 H GLN 48 -14.804 13.745 -3.011 1077 HA GLN 48 HA GLN 48 -15.388 15.570 -5.258 1078 HB2 GLN 48 2HB GLN 48 -15.953 12.607 -5.101 1079 HB3 GLN 48 1HB GLN 48 -15.899 13.630 -6.537 1080 HG2 GLN 48 2HG GLN 48 -13.560 12.906 -4.751 1081 HG3 GLN 48 1HG GLN 48 -13.836 12.360 -6.407 1082 HE21 GLN 48 1HE2 GLN 48 -11.904 14.433 -4.801 1083 HE22 GLN 48 2HE2 GLN 48 -11.758 15.674 -5.951 1084 H LYS 49 H LYS 49 -17.278 16.586 -5.256 1085 HA LYS 49 HA LYS 49 -19.315 16.123 -3.389 1086 HB2 LYS 49 2HB LYS 49 -18.901 18.288 -4.493 1087 HB3 LYS 49 1HB LYS 49 -19.515 17.615 -6.003 1088 HG2 LYS 49 2HG LYS 49 -21.688 17.144 -4.886 1089 HG3 LYS 49 1HG LYS 49 -21.068 17.886 -3.411 1090 HD2 LYS 49 2HD LYS 49 -20.675 19.997 -4.704 1091 HD3 LYS 49 1HD LYS 49 -21.458 19.242 -6.094 1092 HE2 LYS 49 2HE LYS 49 -22.722 19.730 -3.380 1093 HE3 LYS 49 1HE LYS 49 -23.086 20.601 -4.869 1094 HZ1 LYS 49 3HZ LYS 49 -24.547 19.038 -5.373 1095 HZ2 LYS 49 1HZ LYS 49 -24.168 18.180 -3.959 1096 HZ3 LYS 49 2HZ LYS 49 -23.313 17.870 -5.394 1097 H ASP 50 H ASP 50 -19.128 15.090 -6.788 1098 HA ASP 50 HA ASP 50 -21.819 14.176 -6.860 1099 HB2 ASP 50 2HB ASP 50 -19.471 13.495 -8.625 1100 HB3 ASP 50 1HB ASP 50 -21.137 12.990 -8.922 1101 H VAL 51 H VAL 51 -22.718 12.188 -6.659 1102 HA VAL 51 HA VAL 51 -21.377 10.265 -4.987 1103 HB VAL 51 HB VAL 51 -23.410 9.010 -5.061 1104 HG11 VAL 51 1HG1 VAL 51 -24.583 11.742 -5.359 1105 HG12 VAL 51 2HG1 VAL 51 -23.347 11.513 -4.121 1106 HG13 VAL 51 3HG1 VAL 51 -24.820 10.544 -4.085 1107 HG21 VAL 51 3HG2 VAL 51 -24.135 10.682 -7.493 1108 HG22 VAL 51 1HG2 VAL 51 -25.236 9.576 -6.678 1109 HG23 VAL 51 2HG2 VAL 51 -23.792 8.952 -7.470 1110 H ASP 52 H ASP 52 -21.974 10.814 -8.328 1111 HA ASP 52 HA ASP 52 -21.410 8.301 -9.456 1112 HB2 ASP 52 2HB ASP 52 -22.355 10.313 -10.657 1113 HB3 ASP 52 1HB ASP 52 -20.735 11.007 -10.635 1114 H ALA 53 H ALA 53 -19.489 10.739 -8.000 1115 HA ALA 53 HA ALA 53 -16.986 10.416 -9.098 1116 HB1 ALA 53 1HB ALA 53 -17.570 10.755 -6.164 1117 HB2 ALA 53 2HB ALA 53 -17.638 12.063 -7.349 1118 HB3 ALA 53 3HB ALA 53 -16.111 11.231 -7.034 1119 H VAL 54 H VAL 54 -18.592 8.356 -6.653 1120 HA VAL 54 HA VAL 54 -16.323 6.786 -6.039 1121 HB VAL 54 HB VAL 54 -18.549 6.727 -4.826 1122 HG11 VAL 54 1HG1 VAL 54 -19.353 4.729 -6.937 1123 HG12 VAL 54 2HG1 VAL 54 -19.767 6.431 -7.117 1124 HG13 VAL 54 3HG1 VAL 54 -20.365 5.523 -5.731 1125 HG21 VAL 54 3HG2 VAL 54 -18.452 4.108 -4.693 1126 HG22 VAL 54 1HG2 VAL 54 -17.050 5.041 -4.169 1127 HG23 VAL 54 2HG2 VAL 54 -17.061 4.278 -5.764 1128 H ASP 55 H ASP 55 -18.805 6.518 -8.558 1129 HA ASP 55 HA ASP 55 -17.889 4.094 -9.673 1130 HB2 ASP 55 2HB ASP 55 -20.090 5.212 -10.178 1131 HB3 ASP 55 1HB ASP 55 -19.202 6.380 -11.156 1132 H LYS 56 H LYS 56 -17.096 7.493 -10.296 1133 HA LYS 56 HA LYS 56 -15.363 7.057 -12.475 1134 HB2 LYS 56 2HB LYS 56 -15.325 9.221 -10.358 1135 HB3 LYS 56 1HB LYS 56 -14.373 9.256 -11.842 1136 HG2 LYS 56 2HG LYS 56 -16.491 9.068 -13.155 1137 HG3 LYS 56 1HG LYS 56 -17.397 9.174 -11.646 1138 HD2 LYS 56 2HD LYS 56 -16.300 11.372 -11.190 1139 HD3 LYS 56 1HD LYS 56 -15.524 11.276 -12.771 1140 HE2 LYS 56 2HE LYS 56 -18.462 11.549 -12.140 1141 HE3 LYS 56 1HE LYS 56 -17.460 12.574 -13.166 1142 HZ1 LYS 56 3HZ LYS 56 -17.280 10.828 -14.766 1143 HZ2 LYS 56 1HZ LYS 56 -18.925 11.054 -14.417 1144 HZ3 LYS 56 2HZ LYS 56 -18.090 9.733 -13.750 1145 H VAL 57 H VAL 57 -14.829 6.999 -8.984 1146 HA VAL 57 HA VAL 57 -12.011 6.764 -9.069 1147 HB VAL 57 HB VAL 57 -14.026 5.857 -7.003 1148 HG11 VAL 57 1HG1 VAL 57 -11.017 5.797 -7.065 1149 HG12 VAL 57 2HG1 VAL 57 -12.138 4.554 -6.510 1150 HG13 VAL 57 3HG1 VAL 57 -11.872 6.000 -5.536 1151 HG21 VAL 57 3HG2 VAL 57 -13.658 8.363 -7.613 1152 HG22 VAL 57 1HG2 VAL 57 -12.100 8.169 -6.809 1153 HG23 VAL 57 2HG2 VAL 57 -13.595 7.900 -5.910 1154 H MET 58 H MET 58 -14.603 4.334 -8.946 1155 HA MET 58 HA MET 58 -12.805 2.143 -8.812 1156 HB2 MET 58 2HB MET 58 -14.633 0.776 -8.669 1157 HB3 MET 58 1HB MET 58 -15.279 2.301 -8.082 1158 HG2 MET 58 2HG MET 58 -16.930 1.956 -9.593 1159 HG3 MET 58 1HG MET 58 -15.760 2.482 -10.791 1160 HE1 MET 58 3HE MET 58 -16.974 -0.098 -8.611 1161 HE2 MET 58 1HE MET 58 -16.324 -1.641 -9.178 1162 HE3 MET 58 2HE MET 58 -17.855 -1.041 -9.807 1163 H LYS 59 H LYS 59 -14.224 3.732 -11.672 1164 HA LYS 59 HA LYS 59 -13.798 1.601 -13.451 1165 HB2 LYS 59 2HB LYS 59 -13.709 4.560 -14.056 1166 HB3 LYS 59 1HB LYS 59 -13.780 3.281 -15.267 1167 HG2 LYS 59 2HG LYS 59 -15.856 3.687 -13.127 1168 HG3 LYS 59 1HG LYS 59 -15.996 4.240 -14.790 1169 HD2 LYS 59 2HD LYS 59 -15.301 1.631 -15.208 1170 HD3 LYS 59 1HD LYS 59 -16.165 1.486 -13.675 1171 HE2 LYS 59 2HE LYS 59 -17.215 2.882 -16.127 1172 HE3 LYS 59 1HE LYS 59 -17.673 1.250 -15.634 1173 HZ1 LYS 59 3HZ LYS 59 -18.077 3.722 -14.033 1174 HZ2 LYS 59 1HZ LYS 59 -18.508 2.155 -13.550 1175 HZ3 LYS 59 2HZ LYS 59 -19.290 2.879 -14.873 1176 H GLU 60 H GLU 60 -11.491 4.132 -12.425 1177 HA GLU 60 HA GLU 60 -9.508 3.272 -14.302 1178 HB2 GLU 60 2HB GLU 60 -8.023 4.771 -13.232 1179 HB3 GLU 60 1HB GLU 60 -9.606 5.537 -13.118 1180 HG2 GLU 60 2HG GLU 60 -9.849 4.561 -10.827 1181 HG3 GLU 60 1HG GLU 60 -8.197 3.966 -10.942 1182 H LEU 61 H LEU 61 -10.339 2.425 -11.005 1183 HA LEU 61 HA LEU 61 -8.031 0.862 -10.455 1184 HB2 LEU 61 2HB LEU 61 -10.801 0.659 -9.266 1185 HB3 LEU 61 1HB LEU 61 -9.352 -0.085 -8.608 1186 HG LEU 61 HG LEU 61 -9.817 2.891 -8.924 1187 HD11 LEU 61 1HD1 LEU 61 -10.998 1.379 -7.081 1188 HD12 LEU 61 2HD1 LEU 61 -10.315 2.943 -6.654 1189 HD13 LEU 61 3HD1 LEU 61 -9.412 1.465 -6.315 1190 HD21 LEU 61 3HD2 LEU 61 -7.483 2.719 -9.063 1191 HD22 LEU 61 1HD2 LEU 61 -7.439 1.237 -8.102 1192 HD23 LEU 61 2HD2 LEU 61 -7.710 2.786 -7.329 1193 H ASP 62 H ASP 62 -11.132 0.103 -11.959 1194 HA ASP 62 HA ASP 62 -10.637 -2.716 -11.811 1195 HB2 ASP 62 2HB ASP 62 -12.910 -1.732 -12.018 1196 HB3 ASP 62 1HB ASP 62 -12.514 -1.262 -13.672 1197 H GLU 63 H GLU 63 -8.670 -3.167 -12.676 1198 HA GLU 63 HA GLU 63 -7.687 -2.350 -15.210 1199 HB2 GLU 63 2HB GLU 63 -6.238 -3.280 -13.507 1200 HB3 GLU 63 1HB GLU 63 -7.189 -4.770 -13.465 1201 HG2 GLU 63 2HG GLU 63 -6.604 -5.243 -15.779 1202 HG3 GLU 63 1HG GLU 63 -5.622 -3.759 -15.859 1203 H ASN 64 H ASN 64 -9.311 -5.150 -14.044 1204 HA ASN 64 HA ASN 64 -9.395 -6.764 -16.288 1205 HB2 ASN 64 2HB ASN 64 -11.197 -6.379 -13.962 1206 HB3 ASN 64 1HB ASN 64 -11.296 -7.788 -15.015 1207 HD21 ASN 64 1HD2 ASN 64 -8.594 -8.433 -15.339 1208 HD22 ASN 64 2HD2 ASN 64 -7.887 -8.755 -13.830 1209 H GLY 65 H GLY 65 -11.508 -4.110 -15.306 1210 HA2 GLY 65 2HA GLY 65 -13.046 -2.926 -16.626 1211 HA3 GLY 65 1HA GLY 65 -12.770 -4.081 -17.936 1212 H ASP 66 H ASP 66 -13.216 -5.384 -14.855 1213 HA ASP 66 HA ASP 66 -15.669 -6.722 -15.583 1214 HB2 ASP 66 2HB ASP 66 -15.203 -7.999 -13.530 1215 HB3 ASP 66 1HB ASP 66 -13.764 -7.899 -14.547 1216 H GLY 67 H GLY 67 -15.197 -3.730 -14.394 1217 HA2 GLY 67 2HA GLY 67 -16.519 -2.248 -13.225 1218 HA3 GLY 67 1HA GLY 67 -17.816 -3.433 -13.375 1219 H GLU 68 H GLU 68 -15.351 -5.071 -12.051 1220 HA GLU 68 HA GLU 68 -16.232 -4.553 -9.262 1221 HB2 GLU 68 2HB GLU 68 -16.803 -6.781 -10.405 1222 HB3 GLU 68 1HB GLU 68 -15.077 -7.122 -10.348 1223 HG2 GLU 68 2HG GLU 68 -16.043 -8.114 -8.394 1224 HG3 GLU 68 1HG GLU 68 -15.191 -6.671 -7.841 1225 H VAL 69 H VAL 69 -14.654 -4.257 -7.723 1226 HA VAL 69 HA VAL 69 -11.909 -3.912 -8.740 1227 HB VAL 69 HB VAL 69 -13.186 -2.896 -6.194 1228 HG11 VAL 69 1HG1 VAL 69 -10.703 -3.150 -6.136 1229 HG12 VAL 69 2HG1 VAL 69 -11.244 -1.479 -5.979 1230 HG13 VAL 69 3HG1 VAL 69 -10.611 -2.057 -7.519 1231 HG21 VAL 69 3HG2 VAL 69 -12.466 -1.217 -8.558 1232 HG22 VAL 69 1HG2 VAL 69 -13.576 -0.867 -7.231 1233 HG23 VAL 69 2HG2 VAL 69 -14.030 -2.034 -8.471 1234 H ASP 70 H ASP 70 -10.270 -5.214 -8.014 1235 HA ASP 70 HA ASP 70 -11.024 -7.235 -6.001 1236 HB2 ASP 70 2HB ASP 70 -9.295 -8.634 -6.874 1237 HB3 ASP 70 1HB ASP 70 -10.209 -8.008 -8.240 1238 H PHE 71 H PHE 71 -9.108 -8.042 -4.697 1239 HA PHE 71 HA PHE 71 -8.373 -6.155 -2.803 1240 HB2 PHE 71 2HB PHE 71 -8.347 -8.736 -2.792 1241 HB3 PHE 71 1HB PHE 71 -6.750 -8.600 -3.502 1242 HD1 PHE 71 1HD PHE 71 -6.512 -5.824 -1.563 1243 HD2 PHE 71 2HD PHE 71 -7.103 -10.044 -1.058 1244 HE1 PHE 71 1HE PHE 71 -5.529 -5.687 0.698 1245 HE2 PHE 71 2HE PHE 71 -6.133 -9.891 1.205 1246 HZ PHE 71 HZ PHE 71 -5.350 -7.721 2.075 1247 H GLN 72 H GLN 72 -6.410 -7.368 -5.571 1248 HA GLN 72 HA GLN 72 -4.074 -5.897 -4.920 1249 HB2 GLN 72 2HB GLN 72 -5.092 -6.875 -7.601 1250 HB3 GLN 72 1HB GLN 72 -3.475 -6.226 -7.323 1251 HG2 GLN 72 2HG GLN 72 -3.044 -7.977 -5.659 1252 HG3 GLN 72 1HG GLN 72 -4.659 -8.621 -5.880 1253 HE21 GLN 72 1HE2 GLN 72 -2.438 -10.269 -6.318 1254 HE22 GLN 72 2HE2 GLN 72 -2.304 -10.599 -7.973 1255 H GLU 73 H GLU 73 -6.887 -5.023 -6.934 1256 HA GLU 73 HA GLU 73 -5.865 -2.564 -7.882 1257 HB2 GLU 73 2HB GLU 73 -8.675 -3.542 -7.433 1258 HB3 GLU 73 1HB GLU 73 -8.297 -2.040 -8.263 1259 HG2 GLU 73 2HG GLU 73 -7.001 -3.334 -9.946 1260 HG3 GLU 73 1HG GLU 73 -7.442 -4.825 -9.127 1261 H TYR 74 H TYR 74 -7.791 -3.469 -5.073 1262 HA TYR 74 HA TYR 74 -8.241 -0.890 -3.992 1263 HB2 TYR 74 2HB TYR 74 -9.482 -2.927 -3.351 1264 HB3 TYR 74 1HB TYR 74 -8.025 -3.568 -2.594 1265 HD1 TYR 74 1HD TYR 74 -10.639 -0.965 -2.412 1266 HD2 TYR 74 2HD TYR 74 -7.221 -2.708 -0.481 1267 HE1 TYR 74 1HE TYR 74 -11.195 0.247 -0.324 1268 HE2 TYR 74 2HE TYR 74 -7.776 -1.487 1.605 1269 HH TYR 74 HH TYR 74 -10.089 1.031 1.695 1270 H VAL 75 H VAL 75 -5.761 -3.298 -3.577 1271 HA VAL 75 HA VAL 75 -4.331 -2.103 -1.480 1272 HB VAL 75 HB VAL 75 -4.056 -4.474 -3.026 1273 HG11 VAL 75 1HG1 VAL 75 -1.597 -4.536 -3.428 1274 HG12 VAL 75 2HG1 VAL 75 -1.563 -2.796 -3.229 1275 HG13 VAL 75 3HG1 VAL 75 -2.475 -3.503 -4.548 1276 HG21 VAL 75 3HG2 VAL 75 -2.209 -4.954 -1.339 1277 HG22 VAL 75 1HG2 VAL 75 -3.796 -4.556 -0.679 1278 HG23 VAL 75 2HG2 VAL 75 -2.510 -3.342 -0.695 1279 H VAL 76 H VAL 76 -3.883 -1.816 -5.035 1280 HA VAL 76 HA VAL 76 -1.739 0.046 -4.654 1281 HB VAL 76 HB VAL 76 -1.895 0.575 -7.000 1282 HG11 VAL 76 1HG1 VAL 76 -2.567 -2.359 -6.811 1283 HG12 VAL 76 2HG1 VAL 76 -1.066 -1.726 -6.134 1284 HG13 VAL 76 3HG1 VAL 76 -1.394 -1.564 -7.859 1285 HG21 VAL 76 3HG2 VAL 76 -4.419 -1.066 -7.082 1286 HG22 VAL 76 1HG2 VAL 76 -3.700 -0.171 -8.410 1287 HG23 VAL 76 2HG2 VAL 76 -4.421 0.690 -7.052 1288 H LEU 77 H LEU 77 -5.293 0.378 -4.863 1289 HA LEU 77 HA LEU 77 -5.363 3.168 -5.178 1290 HB2 LEU 77 2HB LEU 77 -7.432 1.943 -5.235 1291 HB3 LEU 77 1HB LEU 77 -7.190 1.346 -3.603 1292 HG LEU 77 HG LEU 77 -7.355 3.714 -2.760 1293 HD11 LEU 77 1HD1 LEU 77 -8.312 4.367 -5.556 1294 HD12 LEU 77 2HD1 LEU 77 -6.770 4.882 -4.892 1295 HD13 LEU 77 3HD1 LEU 77 -8.269 5.452 -4.179 1296 HD21 LEU 77 3HD2 LEU 77 -9.287 2.387 -2.544 1297 HD22 LEU 77 1HD2 LEU 77 -9.631 2.457 -4.273 1298 HD23 LEU 77 2HD2 LEU 77 -9.848 3.893 -3.274 1299 H VAL 78 H VAL 78 -5.263 1.324 -2.088 1300 HA VAL 78 HA VAL 78 -5.105 3.749 -0.583 1301 HB VAL 78 HB VAL 78 -4.490 2.399 1.367 1302 HG11 VAL 78 1HG1 VAL 78 -6.819 1.763 -0.378 1303 HG12 VAL 78 2HG1 VAL 78 -6.762 2.468 1.242 1304 HG13 VAL 78 3HG1 VAL 78 -6.552 0.731 1.031 1305 HG21 VAL 78 3HG2 VAL 78 -3.095 0.703 0.111 1306 HG22 VAL 78 1HG2 VAL 78 -4.596 -0.030 -0.454 1307 HG23 VAL 78 2HG2 VAL 78 -4.226 0.012 1.263 1308 H ALA 79 H ALA 79 -2.626 1.591 -1.911 1309 HA ALA 79 HA ALA 79 -0.484 2.829 -0.455 1310 HB1 ALA 79 1HB ALA 79 0.068 1.674 -3.139 1311 HB2 ALA 79 2HB ALA 79 -0.620 0.606 -1.923 1312 HB3 ALA 79 3HB ALA 79 0.895 1.429 -1.599 1313 H ALA 80 H ALA 80 -1.714 3.340 -3.751 1314 HA ALA 80 HA ALA 80 0.111 5.372 -4.460 1315 HB1 ALA 80 1HB ALA 80 -2.657 4.684 -5.461 1316 HB2 ALA 80 2HB ALA 80 -1.105 4.291 -6.204 1317 HB3 ALA 80 3HB ALA 80 -1.671 5.963 -6.170 1318 H LEU 81 H LEU 81 -3.090 5.404 -2.891 1319 HA LEU 81 HA LEU 81 -3.241 8.256 -2.800 1320 HB2 LEU 81 2HB LEU 81 -4.702 6.028 -1.485 1321 HB3 LEU 81 1HB LEU 81 -4.762 7.604 -0.699 1322 HG LEU 81 HG LEU 81 -5.717 8.653 -2.626 1323 HD11 LEU 81 1HD1 LEU 81 -4.670 7.901 -4.542 1324 HD12 LEU 81 2HD1 LEU 81 -6.206 7.060 -4.681 1325 HD13 LEU 81 3HD1 LEU 81 -4.792 6.209 -4.080 1326 HD21 LEU 81 3HD2 LEU 81 -7.024 5.924 -2.332 1327 HD22 LEU 81 1HD2 LEU 81 -7.780 7.360 -3.016 1328 HD23 LEU 81 2HD2 LEU 81 -7.337 7.329 -1.313 1329 H THR 82 H THR 82 -1.726 5.820 -0.711 1330 HA THR 82 HA THR 82 -1.219 7.550 1.476 1331 HB THR 82 HB THR 82 0.498 5.255 0.504 1332 HG1 THR 82 1HG THR 82 -1.904 5.010 0.978 1333 HG21 THR 82 3HG2 THR 82 0.351 6.897 2.989 1334 HG22 THR 82 1HG2 THR 82 1.749 6.161 2.205 1335 HG23 THR 82 2HG2 THR 82 0.653 5.171 3.169 1336 H VAL 83 H VAL 83 0.872 6.690 -1.313 1337 HA VAL 83 HA VAL 83 2.935 8.503 -0.533 1338 HB VAL 83 HB VAL 83 3.402 6.707 -2.156 1339 HG11 VAL 83 1HG1 VAL 83 1.217 7.084 -3.446 1340 HG12 VAL 83 2HG1 VAL 83 2.640 6.747 -4.388 1341 HG13 VAL 83 3HG1 VAL 83 2.048 8.402 -4.252 1342 HG21 VAL 83 3HG2 VAL 83 3.888 9.308 -3.582 1343 HG22 VAL 83 1HG2 VAL 83 4.986 7.946 -3.347 1344 HG23 VAL 83 2HG2 VAL 83 4.620 9.023 -2.000 1345 H ALA 84 H ALA 84 0.071 8.913 -2.563 1346 HA ALA 84 HA ALA 84 0.712 11.526 -3.465 1347 HB1 ALA 84 1HB ALA 84 -1.073 9.990 -4.396 1348 HB2 ALA 84 2HB ALA 84 -1.569 11.666 -4.155 1349 HB3 ALA 84 3HB ALA 84 -2.062 10.425 -3.003 1350 H CYS 85 H CHC 85 -0.787 10.238 -0.571 1351 HA CYS 85 HA CHC 85 -1.821 12.647 0.476 1352 HB2 CYS 85 2HB CHC 85 -2.379 10.343 1.303 1353 HB3 CYS 85 1HB CHC 85 -0.776 10.271 2.031 1354 H ASN 86 H ASN 86 1.225 10.885 1.187 1355 HA ASN 86 HA ASN 86 2.279 12.889 2.858 1356 HB2 ASN 86 2HB ASN 86 3.298 10.619 2.519 1357 HB3 ASN 86 1HB ASN 86 3.892 11.178 0.953 1358 HD21 ASN 86 1HD2 ASN 86 4.010 12.038 4.450 1359 HD22 ASN 86 2HD2 ASN 86 5.552 12.741 4.373 1360 H ASN 87 H ASN 87 2.325 12.512 -0.680 1361 HA ASN 87 HA ASN 87 4.004 14.726 -1.272 1362 HB2 ASN 87 2HB ASN 87 1.705 13.542 -2.846 1363 HB3 ASN 87 1HB ASN 87 2.867 14.704 -3.478 1364 HD21 ASN 87 1HD2 ASN 87 2.624 12.086 -4.613 1365 HD22 ASN 87 2HD2 ASN 87 4.051 11.229 -4.281 1366 H PHE 88 H PHE 88 0.431 14.615 -0.748 1367 HA PHE 88 HA PHE 88 0.258 17.387 -1.395 1368 HB2 PHE 88 2HB PHE 88 -1.612 15.636 0.238 1369 HB3 PHE 88 1HB PHE 88 -1.936 17.331 -0.121 1370 HD1 PHE 88 1HD PHE 88 -1.848 18.046 -2.615 1371 HD2 PHE 88 2HD PHE 88 -2.233 13.976 -1.311 1372 HE1 PHE 88 1HE PHE 88 -2.760 17.422 -4.834 1373 HE2 PHE 88 2HE PHE 88 -3.129 13.345 -3.534 1374 HZ PHE 88 HZ PHE 88 -3.397 15.070 -5.295 1375 H PHE 89 H PHE 89 0.929 15.637 1.625 1376 HA PHE 89 HA PHE 89 0.650 17.887 3.327 1377 HB2 PHE 89 2HB PHE 89 0.772 15.547 4.128 1378 HB3 PHE 89 1HB PHE 89 2.481 15.509 3.691 1379 HD1 PHE 89 1HD PHE 89 -0.031 17.076 5.920 1380 HD2 PHE 89 2HD PHE 89 4.145 16.639 5.013 1381 HE1 PHE 89 1HE PHE 89 0.550 18.143 8.083 1382 HE2 PHE 89 2HE PHE 89 4.726 17.706 7.175 1383 HZ PHE 89 HZ PHE 89 2.929 18.458 8.710 1384 H TRP 90 H TRP 90 3.748 16.417 2.177 1385 HA TRP 90 HA TRP 90 5.274 18.701 2.993 1386 HB2 TRP 90 2HB TRP 90 6.312 16.481 2.752 1387 HB3 TRP 90 1HB TRP 90 6.056 16.571 1.003 1388 HD1 TRP 90 HD TRP 90 7.181 18.699 -0.248 1389 HE1 TRP 90 1HE TRP 90 9.398 19.897 0.197 1390 HE3 TRP 90 3HE TRP 90 8.047 17.130 4.521 1391 HZ2 TRP 90 2HZ TRP 90 11.323 20.149 2.315 1392 HZ3 TRP 90 3HZ TRP 90 10.083 17.861 5.733 1393 HH2 TRP 90 HH TRP 90 11.719 19.368 4.637 1394 H GLU 91 H GLU 91 4.012 17.593 -0.070 1395 HA GLU 91 HA GLU 91 4.928 20.020 -1.423 1396 HB2 GLU 91 2HB GLU 91 3.884 17.363 -2.380 1397 HB3 GLU 91 1HB GLU 91 4.023 18.697 -3.457 1398 HG2 GLU 91 2HG GLU 91 6.241 17.438 -1.828 1399 HG3 GLU 91 1HG GLU 91 6.004 17.242 -3.557 1400 H ASN 92 H ASN 92 3.519 21.369 -2.568 1401 HA ASN 92 HA ASN 92 1.600 22.579 -2.908 1402 HB2 ASN 92 2HB ASN 92 0.314 19.858 -2.580 1403 HB3 ASN 92 1HB ASN 92 -0.492 21.294 -3.208 1404 HD21 ASN 92 1HD2 ASN 92 -0.187 18.934 -4.809 1405 HD22 ASN 92 2HD2 ASN 92 0.874 19.294 -6.084 1406 H SER 93 H SER 93 2.615 22.680 -0.336 1407 HA SER 93 HA SER 93 0.171 23.235 1.172 1408 HB2 SER 93 2HB SER 93 0.761 21.956 3.080 1409 HB3 SER 93 1HB SER 93 1.020 20.869 1.719 1410 HG SER 93 HG SER 93 3.198 21.255 1.846 1411 H1 HCS 201 1HT CHC 85 5.416 -13.533 4.322 1412 H2 HCS 201 2HT CHC 85 4.015 -14.211 3.641 1413 H HCS 201 3HT CHC 85 5.488 -15.056 3.579 1414 HCA HCS 201 HH CHC 85 4.908 -14.432 6.261 1415 HB2 HCS 201 1HZ CHC 85 2.860 -16.015 6.321 1416 HB3 HCS 201 2HZ CHC 85 2.690 -15.635 4.607 1417 HG2 HCS 201 1HE CHC 85 2.814 -13.576 6.833 1418 HG3 HCS 201 2HE CHC 85 1.330 -14.128 6.057 1419 H1 HCS 201 1HT CHC 85 -6.143 13.838 1.372 1420 H2 HCS 201 2HT CHC 85 -4.609 14.461 0.994 1421 H HCS 201 3HT CHC 85 -6.009 15.273 0.478 1422 HCA HCS 201 HH CHC 85 -6.126 14.944 3.270 1423 HB2 HCS 201 1HZ CHC 85 -4.137 16.552 3.674 1424 HB3 HCS 201 2HZ CHC 85 -3.548 15.996 2.108 1425 HG2 HCS 201 1HE CHC 85 -4.253 14.181 4.435 1426 HG3 HCS 201 2HE CHC 85 -2.615 14.669 4.002 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -13.883 4.686 12.507 2 HA2 GLY 1 2HA GLY 1 -12.289 2.257 12.016 3 HA3 GLY 1 1HA GLY 1 -13.485 2.939 10.917 4 H SER 2 H SER 2 -11.057 4.870 12.535 5 HA SER 2 HA SER 2 -10.068 5.836 9.989 6 HB2 SER 2 2HB SER 2 -9.319 6.500 12.843 7 HB3 SER 2 1HB SER 2 -8.627 7.290 11.429 8 HG SER 2 HG SER 2 -11.137 7.518 12.569 9 H GLU 3 H GLU 3 -9.528 3.041 11.382 10 HA GLU 3 HA GLU 3 -6.778 2.819 11.866 11 HB2 GLU 3 2HB GLU 3 -8.759 0.789 10.829 12 HB3 GLU 3 1HB GLU 3 -7.123 0.390 11.346 13 HG2 GLU 3 2HG GLU 3 -7.607 1.351 13.570 14 HG3 GLU 3 1HG GLU 3 -9.259 1.685 13.054 15 H LEU 4 H LEU 4 -8.565 2.605 8.785 16 HA LEU 4 HA LEU 4 -6.433 1.545 7.272 17 HB2 LEU 4 2HB LEU 4 -8.914 1.975 6.625 18 HB3 LEU 4 1HB LEU 4 -8.368 3.594 6.202 19 HG LEU 4 HG LEU 4 -7.024 1.096 5.138 20 HD11 LEU 4 1HD1 LEU 4 -9.467 1.125 4.546 21 HD12 LEU 4 2HD1 LEU 4 -8.371 1.164 3.168 22 HD13 LEU 4 3HD1 LEU 4 -9.181 2.639 3.687 23 HD21 LEU 4 3HD2 LEU 4 -6.499 3.912 4.819 24 HD22 LEU 4 1HD2 LEU 4 -6.947 3.226 3.262 25 HD23 LEU 4 2HD2 LEU 4 -5.621 2.529 4.180 26 H GLU 5 H GLU 5 -7.333 4.868 8.159 27 HA GLU 5 HA GLU 5 -5.268 6.169 6.701 28 HB2 GLU 5 2HB GLU 5 -6.815 7.034 9.150 29 HB3 GLU 5 1HB GLU 5 -5.682 8.073 8.289 30 HG2 GLU 5 2HG GLU 5 -7.011 7.766 6.224 31 HG3 GLU 5 1HG GLU 5 -8.166 6.790 7.126 32 H THR 6 H THR 6 -5.473 4.804 9.955 33 HA THR 6 HA THR 6 -3.044 5.822 10.946 34 HB THR 6 HB THR 6 -4.272 3.116 11.544 35 HG1 THR 6 1HG THR 6 -5.725 4.164 12.615 36 HG21 THR 6 3HG2 THR 6 -3.169 3.617 13.795 37 HG22 THR 6 1HG2 THR 6 -2.291 4.901 12.965 38 HG23 THR 6 2HG2 THR 6 -2.078 3.224 12.467 39 H ALA 7 H ALA 7 -3.844 2.983 9.027 40 HA ALA 7 HA ALA 7 -1.232 1.859 8.968 41 HB1 ALA 7 1HB ALA 7 -3.135 1.589 6.667 42 HB2 ALA 7 2HB ALA 7 -3.538 0.864 8.220 43 HB3 ALA 7 3HB ALA 7 -2.067 0.381 7.379 44 H MET 8 H MET 8 -2.967 4.033 6.739 45 HA MET 8 HA MET 8 -0.932 4.254 4.787 46 HB2 MET 8 2HB MET 8 -3.080 6.195 5.703 47 HB3 MET 8 1HB MET 8 -2.093 6.436 4.261 48 HG2 MET 8 2HG MET 8 -2.910 4.301 3.333 49 HG3 MET 8 1HG MET 8 -3.894 4.035 4.759 50 HE1 MET 8 3HE MET 8 -3.250 7.361 2.520 51 HE2 MET 8 1HE MET 8 -4.522 6.999 1.346 52 HE3 MET 8 2HE MET 8 -3.207 5.857 1.600 53 H GLU 9 H GLU 9 -1.561 6.063 7.763 54 HA GLU 9 HA GLU 9 0.569 7.912 7.463 55 HB2 GLU 9 2HB GLU 9 -0.896 6.947 9.926 56 HB3 GLU 9 1HB GLU 9 0.300 8.243 9.935 57 HG2 GLU 9 2HG GLU 9 -1.053 9.489 8.275 58 HG3 GLU 9 1HG GLU 9 -2.266 8.217 8.319 59 H THR 10 H THR 10 0.335 4.641 8.819 60 HA THR 10 HA THR 10 2.867 4.675 10.084 61 HB THR 10 HB THR 10 1.421 2.319 8.882 62 HG1 THR 10 1HG THR 10 1.242 2.595 11.549 63 HG21 THR 10 3HG2 THR 10 2.707 1.020 10.516 64 HG22 THR 10 1HG2 THR 10 3.459 2.497 11.119 65 HG23 THR 10 2HG2 THR 10 3.805 1.937 9.481 66 H LEU 11 H LEU 11 1.801 3.743 6.798 67 HA LEU 11 HA LEU 11 4.342 2.832 5.935 68 HB2 LEU 11 2HB LEU 11 2.262 4.228 4.233 69 HB3 LEU 11 1HB LEU 11 3.533 3.156 3.664 70 HG LEU 11 HG LEU 11 1.132 2.414 5.344 71 HD11 LEU 11 1HD1 LEU 11 0.605 2.613 3.008 72 HD12 LEU 11 2HD1 LEU 11 0.709 0.895 3.390 73 HD13 LEU 11 3HD1 LEU 11 2.041 1.695 2.555 74 HD21 LEU 11 3HD2 LEU 11 3.637 0.874 4.701 75 HD22 LEU 11 1HD2 LEU 11 2.103 0.041 4.934 76 HD23 LEU 11 2HD2 LEU 11 2.774 1.013 6.244 77 H ILE 12 H ILE 12 2.767 6.003 5.903 78 HA ILE 12 HA ILE 12 4.866 7.375 4.579 79 HB ILE 12 HB ILE 12 2.853 8.397 6.589 80 HG12 ILE 12 2HG1 ILE 12 2.897 8.656 3.573 81 HG13 ILE 12 1HG1 ILE 12 2.006 7.393 4.403 82 HG21 ILE 12 1HG2 ILE 12 3.416 10.607 5.396 83 HG22 ILE 12 2HG2 ILE 12 4.871 9.789 4.826 84 HG23 ILE 12 3HG2 ILE 12 4.597 10.000 6.556 85 HD11 ILE 12 3HD1 ILE 12 1.621 10.282 5.157 86 HD12 ILE 12 1HD1 ILE 12 0.512 8.928 5.373 87 HD13 ILE 12 2HD1 ILE 12 0.773 9.605 3.765 88 H ASN 13 H ASN 13 4.260 6.836 8.030 89 HA ASN 13 HA ASN 13 6.408 8.351 9.004 90 HB2 ASN 13 2HB ASN 13 4.990 5.967 10.184 91 HB3 ASN 13 1HB ASN 13 6.126 6.984 11.069 92 HD21 ASN 13 1HD2 ASN 13 3.381 6.783 11.867 93 HD22 ASN 13 2HD2 ASN 13 2.639 8.285 11.600 94 H VAL 14 H VAL 14 6.307 4.871 8.129 95 HA VAL 14 HA VAL 14 8.996 4.497 9.064 96 HB VAL 14 HB VAL 14 8.903 2.256 8.183 97 HG11 VAL 14 1HG1 VAL 14 7.266 1.459 9.621 98 HG12 VAL 14 2HG1 VAL 14 6.102 2.697 9.156 99 HG13 VAL 14 3HG1 VAL 14 7.452 3.110 10.211 100 HG21 VAL 14 3HG2 VAL 14 6.462 3.220 6.677 101 HG22 VAL 14 1HG2 VAL 14 6.727 1.517 7.017 102 HG23 VAL 14 2HG2 VAL 14 7.887 2.414 6.036 103 H PHE 15 H PHE 15 7.553 5.075 5.856 104 HA PHE 15 HA PHE 15 9.940 4.764 4.372 105 HB2 PHE 15 2HB PHE 15 7.750 4.923 3.289 106 HB3 PHE 15 1HB PHE 15 7.586 6.591 3.845 107 HD1 PHE 15 1HD PHE 15 9.936 4.381 1.924 108 HD2 PHE 15 2HD PHE 15 8.359 8.330 2.519 109 HE1 PHE 15 1HE PHE 15 11.216 5.199 -0.033 110 HE2 PHE 15 2HE PHE 15 9.631 9.136 0.553 111 HZ PHE 15 HZ PHE 15 11.065 7.570 -0.724 112 H HIS 16 H HIS 16 8.444 7.558 5.911 113 HA HIS 16 HA HIS 16 10.537 9.346 5.256 114 HB2 HIS 16 2HB HIS 16 8.270 10.131 5.882 115 HB3 HIS 16 1HB HIS 16 8.538 9.528 7.518 116 HD1 HIS 16 1HD HIS 16 10.073 10.889 9.059 117 HD2 HIS 16 2HD HIS 16 9.857 12.436 5.194 118 HE1 HIS 16 1HE HIS 16 11.182 13.166 9.135 119 HE2 HIS 16 2HE HIS 16 11.059 14.120 6.786 120 H ALA 17 H ALA 17 10.001 7.128 7.899 121 HA ALA 17 HA ALA 17 11.891 8.184 9.663 122 HB1 ALA 17 1HB ALA 17 11.396 5.223 9.150 123 HB2 ALA 17 2HB ALA 17 10.337 6.248 10.139 124 HB3 ALA 17 3HB ALA 17 12.001 5.970 10.636 125 H HIS 18 H HIS 18 12.295 5.657 7.154 126 HA HIS 18 HA HIS 18 15.177 5.755 7.605 127 HB2 HIS 18 2HB HIS 18 13.414 4.168 5.793 128 HB3 HIS 18 1HB HIS 18 15.161 4.173 5.559 129 HD1 HIS 18 1HD HIS 18 12.658 3.615 8.397 130 HD2 HIS 18 2HD HIS 18 16.490 2.444 7.260 131 HE1 HIS 18 1HE HIS 18 13.433 1.930 10.122 132 HE2 HIS 18 2HE HIS 18 15.770 1.207 9.443 133 H SER 19 H SER 19 13.056 6.732 4.904 134 HA SER 19 HA SER 19 15.094 7.596 3.199 135 HB2 SER 19 2HB SER 19 12.764 7.413 2.484 136 HB3 SER 19 1HB SER 19 12.325 8.756 3.540 137 HG SER 19 HG SER 19 14.359 8.947 1.584 138 H GLY 20 H GLY 20 13.328 9.330 5.737 139 HA2 GLY 20 2HA GLY 20 14.733 11.785 5.303 140 HA3 GLY 20 1HA GLY 20 13.656 11.442 6.637 141 H LYS 21 H LYS 21 14.925 9.167 7.728 142 HA LYS 21 HA LYS 21 16.848 10.357 9.390 143 HB2 LYS 21 2HB LYS 21 15.597 8.398 10.033 144 HB3 LYS 21 1HB LYS 21 16.398 7.434 8.788 145 HG2 LYS 21 2HG LYS 21 18.549 7.798 9.918 146 HG3 LYS 21 1HG LYS 21 17.745 8.792 11.137 147 HD2 LYS 21 2HD LYS 21 17.984 6.520 11.992 148 HD3 LYS 21 1HD LYS 21 16.282 6.851 11.704 149 HE2 LYS 21 2HE LYS 21 17.763 5.701 9.405 150 HE3 LYS 21 1HE LYS 21 17.562 4.628 10.790 151 HZ1 LYS 21 3HZ LYS 21 15.414 6.065 9.332 152 HZ2 LYS 21 1HZ LYS 21 15.173 5.170 10.753 153 HZ3 LYS 21 2HZ LYS 21 15.697 4.389 9.338 154 H GLU 22 H GLU 22 17.380 8.386 6.446 155 HA GLU 22 HA GLU 22 20.252 9.076 6.704 156 HB2 GLU 22 2HB GLU 22 19.011 6.581 5.580 157 HB3 GLU 22 1HB GLU 22 20.730 6.977 5.474 158 HG2 GLU 22 2HG GLU 22 20.814 7.143 7.947 159 HG3 GLU 22 1HG GLU 22 19.122 6.679 8.012 160 H GLY 23 H GLY 23 21.433 9.610 4.941 161 HA2 GLY 23 2HA GLY 23 21.886 10.635 2.943 162 HA3 GLY 23 1HA GLY 23 20.825 9.409 2.265 163 H ASP 24 H ASP 24 19.843 10.597 0.749 164 HA ASP 24 HA ASP 24 18.797 13.222 1.153 165 HB2 ASP 24 2HB ASP 24 18.279 11.146 -0.984 166 HB3 ASP 24 1HB ASP 24 17.650 12.792 -1.033 167 H LYS 25 H LYS 25 16.649 13.858 1.442 168 HA LYS 25 HA LYS 25 15.032 11.934 2.909 169 HB2 LYS 25 2HB LYS 25 14.441 14.837 2.239 170 HB3 LYS 25 1HB LYS 25 13.622 13.834 3.448 171 HG2 LYS 25 2HG LYS 25 15.873 13.551 4.620 172 HG3 LYS 25 1HG LYS 25 16.531 14.761 3.524 173 HD2 LYS 25 2HD LYS 25 14.150 15.202 5.351 174 HD3 LYS 25 1HD LYS 25 15.793 15.753 5.679 175 HE2 LYS 25 2HE LYS 25 14.835 17.648 4.698 176 HE3 LYS 25 1HE LYS 25 15.608 16.871 3.317 177 HZ1 LYS 25 3HZ LYS 25 13.647 16.553 2.360 178 HZ2 LYS 25 1HZ LYS 25 12.953 17.529 3.561 179 HZ3 LYS 25 2HZ LYS 25 12.994 15.842 3.758 180 H TYR 26 H TYR 26 12.904 11.339 2.318 181 HA TYR 26 HA TYR 26 11.242 10.682 0.892 182 HB2 TYR 26 2HB TYR 26 11.981 13.216 -0.580 183 HB3 TYR 26 1HB TYR 26 10.485 12.300 -0.781 184 HD1 TYR 26 2HD TYR 26 8.927 12.019 1.180 185 HD2 TYR 26 1HD TYR 26 12.278 14.706 1.263 186 HE1 TYR 26 2HE TYR 26 7.948 13.180 3.141 187 HE2 TYR 26 1HE TYR 26 11.300 15.865 3.224 188 HH TYR 26 HH TYR 26 8.332 14.677 4.768 189 H LYS 27 H LYS 27 14.227 10.170 0.287 190 HA LYS 27 HA LYS 27 13.703 8.854 -2.291 191 HB2 LYS 27 2HB LYS 27 15.068 11.005 -2.634 192 HB3 LYS 27 1HB LYS 27 16.352 10.202 -1.736 193 HG2 LYS 27 2HG LYS 27 16.852 9.726 -4.004 194 HG3 LYS 27 1HG LYS 27 16.064 8.264 -3.407 195 HD2 LYS 27 2HD LYS 27 13.993 8.812 -4.469 196 HD3 LYS 27 1HD LYS 27 14.492 10.467 -4.776 197 HE2 LYS 27 2HE LYS 27 16.384 9.373 -6.204 198 HE3 LYS 27 1HE LYS 27 15.361 7.936 -6.154 199 HZ1 LYS 27 3HZ LYS 27 14.485 8.937 -7.970 200 HZ2 LYS 27 1HZ LYS 27 14.903 10.502 -7.466 201 HZ3 LYS 27 2HZ LYS 27 13.548 9.728 -6.795 202 H LEU 28 H LEU 28 14.519 6.709 -2.279 203 HA LEU 28 HA LEU 28 15.784 5.929 0.287 204 HB2 LEU 28 2HB LEU 28 13.392 5.213 -0.522 205 HB3 LEU 28 1HB LEU 28 14.267 4.118 -1.534 206 HG LEU 28 HG LEU 28 15.344 3.057 0.389 207 HD11 LEU 28 1HD1 LEU 28 13.967 5.262 1.902 208 HD12 LEU 28 2HD1 LEU 28 15.521 4.485 2.215 209 HD13 LEU 28 3HD1 LEU 28 14.027 3.674 2.662 210 HD21 LEU 28 3HD2 LEU 28 12.309 3.273 0.469 211 HD22 LEU 28 1HD2 LEU 28 13.204 2.081 1.396 212 HD23 LEU 28 2HD2 LEU 28 13.264 2.057 -0.369 213 H SER 29 H SER 29 17.752 4.983 0.240 214 HA SER 29 HA SER 29 18.879 4.148 -2.357 215 HB2 SER 29 2HB SER 29 20.148 5.916 -1.281 216 HB3 SER 29 1HB SER 29 20.238 4.983 0.193 217 HG SER 29 HG SER 29 21.207 3.323 -1.336 218 H LYS 30 H LYS 30 20.294 2.253 -2.377 219 HA LYS 30 HA LYS 30 19.092 -0.058 -1.473 220 HB2 LYS 30 2HB LYS 30 20.923 0.052 -3.148 221 HB3 LYS 30 1HB LYS 30 22.054 0.341 -1.828 222 HG2 LYS 30 2HG LYS 30 21.309 -1.834 -0.792 223 HG3 LYS 30 1HG LYS 30 20.327 -2.117 -2.228 224 HD2 LYS 30 2HD LYS 30 22.438 -3.253 -2.518 225 HD3 LYS 30 1HD LYS 30 22.402 -1.876 -3.619 226 HE2 LYS 30 2HE LYS 30 24.022 -0.731 -2.451 227 HE3 LYS 30 1HE LYS 30 23.512 -1.374 -0.884 228 HZ1 LYS 30 3HZ LYS 30 24.479 -3.510 -1.512 229 HZ2 LYS 30 1HZ LYS 30 25.644 -2.278 -1.535 230 HZ3 LYS 30 2HZ LYS 30 24.997 -2.860 -2.994 231 H LYS 31 H LYS 31 21.825 1.656 -0.014 232 HA LYS 31 HA LYS 31 22.282 -0.143 2.067 233 HB2 LYS 31 2HB LYS 31 23.538 1.647 3.088 234 HB3 LYS 31 1HB LYS 31 23.757 1.768 1.340 235 HG2 LYS 31 2HG LYS 31 21.863 3.446 1.300 236 HG3 LYS 31 1HG LYS 31 21.892 3.406 3.065 237 HD2 LYS 31 2HD LYS 31 24.274 3.967 2.980 238 HD3 LYS 31 1HD LYS 31 24.126 4.275 1.258 239 HE2 LYS 31 2HE LYS 31 22.274 5.902 1.818 240 HE3 LYS 31 1HE LYS 31 22.684 5.689 3.520 241 HZ1 LYS 31 3HZ LYS 31 23.782 7.545 1.974 242 HZ2 LYS 31 1HZ LYS 31 24.898 6.290 1.741 243 HZ3 LYS 31 2HZ LYS 31 24.576 6.858 3.310 244 H GLU 32 H GLU 32 20.358 2.828 1.947 245 HA GLU 32 HA GLU 32 19.422 2.771 4.597 246 HB2 GLU 32 2HB GLU 32 18.085 3.890 2.122 247 HB3 GLU 32 1HB GLU 32 17.636 4.279 3.780 248 HG2 GLU 32 2HG GLU 32 19.956 5.125 4.160 249 HG3 GLU 32 1HG GLU 32 20.299 4.836 2.461 250 H LEU 33 H LEU 33 17.771 1.533 1.606 251 HA LEU 33 HA LEU 33 15.527 0.673 3.089 252 HB2 LEU 33 2HB LEU 33 14.981 -0.837 1.178 253 HB3 LEU 33 1HB LEU 33 15.135 0.855 0.808 254 HG LEU 33 HG LEU 33 17.690 0.046 0.313 255 HD11 LEU 33 1HD1 LEU 33 17.639 -2.059 -0.909 256 HD12 LEU 33 2HD1 LEU 33 15.898 -2.194 -0.714 257 HD13 LEU 33 3HD1 LEU 33 16.962 -2.363 0.687 258 HD21 LEU 33 3HD2 LEU 33 15.220 0.389 -1.388 259 HD22 LEU 33 1HD2 LEU 33 16.710 -0.138 -2.162 260 HD23 LEU 33 2HD2 LEU 33 16.651 1.409 -1.307 261 H LYS 34 H LYS 34 18.613 -0.842 2.413 262 HA LYS 34 HA LYS 34 17.893 -3.424 3.210 263 HB2 LYS 34 2HB LYS 34 20.157 -2.797 2.354 264 HB3 LYS 34 1HB LYS 34 20.468 -1.962 3.873 265 HG2 LYS 34 2HG LYS 34 21.469 -4.089 4.152 266 HG3 LYS 34 1HG LYS 34 19.938 -4.213 5.016 267 HD2 LYS 34 2HD LYS 34 18.914 -5.364 3.119 268 HD3 LYS 34 1HD LYS 34 20.371 -5.131 2.160 269 HE2 LYS 34 2HE LYS 34 19.762 -7.222 4.081 270 HE3 LYS 34 1HE LYS 34 21.106 -7.123 2.946 271 HZ1 LYS 34 3HZ LYS 34 21.011 -5.708 5.554 272 HZ2 LYS 34 1HZ LYS 34 22.331 -5.796 4.493 273 HZ3 LYS 34 2HZ LYS 34 21.796 -7.194 5.298 274 H GLU 35 H GLU 35 18.530 -0.451 5.047 275 HA GLU 35 HA GLU 35 18.363 -1.782 7.602 276 HB2 GLU 35 2HB GLU 35 18.290 1.133 6.829 277 HB3 GLU 35 1HB GLU 35 18.291 0.549 8.492 278 HG2 GLU 35 2HG GLU 35 20.416 -0.657 8.041 279 HG3 GLU 35 1HG GLU 35 20.425 0.009 6.409 280 H LEU 36 H LEU 36 16.078 0.148 5.620 281 HA LEU 36 HA LEU 36 14.066 0.329 7.611 282 HB2 LEU 36 2HB LEU 36 14.282 1.608 5.377 283 HB3 LEU 36 1HB LEU 36 13.490 0.216 4.653 284 HG LEU 36 HG LEU 36 12.340 1.991 6.864 285 HD11 LEU 36 1HD1 LEU 36 12.485 2.611 4.249 286 HD12 LEU 36 2HD1 LEU 36 11.099 3.030 5.254 287 HD13 LEU 36 3HD1 LEU 36 11.036 1.617 4.212 288 HD21 LEU 36 3HD2 LEU 36 11.324 -0.060 7.321 289 HD22 LEU 36 1HD2 LEU 36 11.395 -0.602 5.648 290 HD23 LEU 36 2HD2 LEU 36 10.216 0.606 6.134 291 H LEU 37 H LEU 37 14.462 -2.073 4.939 292 HA LEU 37 HA LEU 37 12.077 -3.465 5.599 293 HB2 LEU 37 2HB LEU 37 14.547 -4.357 4.111 294 HB3 LEU 37 1HB LEU 37 13.164 -5.412 4.369 295 HG LEU 37 HG LEU 37 13.273 -4.082 2.149 296 HD11 LEU 37 1HD1 LEU 37 11.239 -5.250 3.164 297 HD12 LEU 37 2HD1 LEU 37 10.897 -3.952 2.025 298 HD13 LEU 37 3HD1 LEU 37 10.749 -3.665 3.758 299 HD21 LEU 37 3HD2 LEU 37 13.849 -1.933 3.301 300 HD22 LEU 37 1HD2 LEU 37 12.217 -1.898 3.942 301 HD23 LEU 37 2HD2 LEU 37 12.483 -1.814 2.206 302 H GLN 38 H GLN 38 15.460 -3.966 6.585 303 HA GLN 38 HA GLN 38 14.967 -6.323 8.064 304 HB2 GLN 38 2HB GLN 38 17.149 -4.252 8.327 305 HB3 GLN 38 1HB GLN 38 17.130 -5.786 9.198 306 HG2 GLN 38 2HG GLN 38 17.086 -7.020 7.082 307 HG3 GLN 38 1HG GLN 38 17.036 -5.509 6.178 308 HE21 GLN 38 1HE2 GLN 38 19.167 -7.371 5.795 309 HE22 GLN 38 2HE2 GLN 38 20.598 -6.682 6.396 310 H THR 39 H THR 39 14.882 -2.896 8.998 311 HA THR 39 HA THR 39 14.514 -3.449 11.779 312 HB THR 39 HB THR 39 13.924 -1.083 11.969 313 HG1 THR 39 1HG THR 39 13.389 -1.461 9.314 314 HG21 THR 39 3HG2 THR 39 16.318 -2.032 10.514 315 HG22 THR 39 1HG2 THR 39 16.198 -1.012 11.947 316 HG23 THR 39 2HG2 THR 39 15.985 -0.309 10.345 317 H GLU 40 H GLU 40 12.306 -2.870 9.074 318 HA GLU 40 HA GLU 40 10.010 -3.105 10.861 319 HB2 GLU 40 2HB GLU 40 10.232 -2.479 7.919 320 HB3 GLU 40 1HB GLU 40 8.709 -2.632 8.785 321 HG2 GLU 40 2HG GLU 40 10.908 -0.665 9.459 322 HG3 GLU 40 1HG GLU 40 9.400 -0.268 8.639 323 H LEU 41 H LEU 41 11.175 -4.733 7.892 324 HA LEU 41 HA LEU 41 9.417 -7.002 8.580 325 HB2 LEU 41 2HB LEU 41 10.872 -6.505 5.978 326 HB3 LEU 41 1HB LEU 41 9.648 -7.725 6.286 327 HG LEU 41 HG LEU 41 9.263 -4.721 6.196 328 HD11 LEU 41 1HD1 LEU 41 7.664 -6.708 4.631 329 HD12 LEU 41 2HD1 LEU 41 9.319 -6.399 4.121 330 HD13 LEU 41 3HD1 LEU 41 8.158 -5.073 4.196 331 HD21 LEU 41 3HD2 LEU 41 7.441 -6.908 7.199 332 HD22 LEU 41 1HD2 LEU 41 6.780 -5.446 6.476 333 HD23 LEU 41 2HD2 LEU 41 7.778 -5.327 7.920 334 H SER 42 H SER 42 10.165 -9.040 8.876 335 HA SER 42 HA SER 42 13.112 -9.333 8.994 336 HB2 SER 42 2HB SER 42 10.921 -10.208 10.801 337 HB3 SER 42 1HB SER 42 12.252 -11.338 10.573 338 HG SER 42 HG SER 42 13.675 -9.670 11.169 339 H GLY 43 H GLY 43 10.297 -11.500 8.876 340 HA2 GLY 43 2HA GLY 43 11.559 -13.600 7.551 341 HA3 GLY 43 1HA GLY 43 9.825 -13.345 7.615 342 H PHE 44 H PHE 44 9.781 -10.836 6.110 343 HA PHE 44 HA PHE 44 9.576 -11.916 3.528 344 HB2 PHE 44 2HB PHE 44 9.784 -9.051 4.451 345 HB3 PHE 44 1HB PHE 44 9.463 -9.506 2.780 346 HD1 PHE 44 1HD PHE 44 7.399 -10.699 2.164 347 HD2 PHE 44 2HD PHE 44 8.078 -9.341 6.192 348 HE1 PHE 44 1HE PHE 44 4.997 -11.021 2.685 349 HE2 PHE 44 2HE PHE 44 5.678 -9.664 6.701 350 HZ PHE 44 HZ PHE 44 4.136 -10.504 4.950 351 H LEU 45 H LEU 45 12.130 -9.716 4.773 352 HA LEU 45 HA LEU 45 13.696 -10.070 2.371 353 HB2 LEU 45 2HB LEU 45 13.917 -8.456 4.837 354 HB3 LEU 45 1HB LEU 45 15.461 -9.015 4.208 355 HG LEU 45 HG LEU 45 14.672 -6.763 3.324 356 HD11 LEU 45 1HD1 LEU 45 16.280 -7.437 1.881 357 HD12 LEU 45 2HD1 LEU 45 14.969 -7.910 0.802 358 HD13 LEU 45 3HD1 LEU 45 15.708 -9.108 1.871 359 HD21 LEU 45 3HD2 LEU 45 12.759 -6.545 2.105 360 HD22 LEU 45 1HD2 LEU 45 12.248 -7.995 2.964 361 HD23 LEU 45 2HD2 LEU 45 12.925 -8.116 1.337 362 H ASP 46 H ASP 46 13.801 -11.313 5.643 363 HA ASP 46 HA ASP 46 16.234 -12.665 5.457 364 HB2 ASP 46 2HB ASP 46 14.981 -12.229 7.568 365 HB3 ASP 46 1HB ASP 46 13.840 -13.491 7.109 366 H ALA 47 H ALA 47 13.019 -13.609 4.398 367 HA ALA 47 HA ALA 47 13.375 -16.359 4.173 368 HB1 ALA 47 1HB ALA 47 11.707 -14.404 2.600 369 HB2 ALA 47 2HB ALA 47 11.191 -15.496 3.888 370 HB3 ALA 47 3HB ALA 47 11.641 -16.145 2.311 371 H GLN 48 H GLN 48 14.314 -13.803 1.888 372 HA GLN 48 HA GLN 48 14.973 -15.572 -0.229 373 HB2 GLN 48 2HB GLN 48 16.226 -12.866 0.326 374 HB3 GLN 48 1HB GLN 48 16.264 -13.767 -1.188 375 HG2 GLN 48 2HG GLN 48 13.808 -12.599 0.148 376 HG3 GLN 48 1HG GLN 48 14.533 -12.096 -1.371 377 HE21 GLN 48 1HE2 GLN 48 12.013 -13.883 -0.152 378 HE22 GLN 48 2HE2 GLN 48 11.771 -14.941 -1.462 379 H LYS 49 H LYS 49 16.654 -14.459 2.598 380 HA LYS 49 HA LYS 49 18.463 -15.265 3.726 381 HB2 LYS 49 2HB LYS 49 17.636 -17.515 3.067 382 HB3 LYS 49 1HB LYS 49 18.624 -17.417 1.611 383 HG2 LYS 49 2HG LYS 49 20.652 -17.191 2.954 384 HG3 LYS 49 1HG LYS 49 19.694 -17.203 4.435 385 HD2 LYS 49 2HD LYS 49 20.569 -19.436 4.102 386 HD3 LYS 49 1HD LYS 49 18.836 -19.477 3.777 387 HE2 LYS 49 2HE LYS 49 19.140 -19.657 1.467 388 HE3 LYS 49 1HE LYS 49 20.759 -18.963 1.523 389 HZ1 LYS 49 3HZ LYS 49 20.031 -21.597 2.681 390 HZ2 LYS 49 1HZ LYS 49 21.589 -20.940 2.543 391 HZ3 LYS 49 2HZ LYS 49 20.731 -21.389 1.147 392 H ASP 50 H ASP 50 18.884 -15.145 0.192 393 HA ASP 50 HA ASP 50 21.718 -14.812 0.332 394 HB2 ASP 50 2HB ASP 50 19.769 -14.135 -1.878 395 HB3 ASP 50 1HB ASP 50 21.530 -14.058 -2.015 396 H VAL 51 H VAL 51 22.977 -13.012 0.243 397 HA VAL 51 HA VAL 51 21.881 -10.569 1.291 398 HB VAL 51 HB VAL 51 24.117 -9.720 1.246 399 HG11 VAL 51 1HG1 VAL 51 23.464 -11.902 2.652 400 HG12 VAL 51 2HG1 VAL 51 25.087 -11.214 2.701 401 HG13 VAL 51 3HG1 VAL 51 24.753 -12.607 1.673 402 HG21 VAL 51 3HG2 VAL 51 25.948 -10.929 0.048 403 HG22 VAL 51 1HG2 VAL 51 24.735 -10.279 -1.052 404 HG23 VAL 51 2HG2 VAL 51 24.745 -12.000 -0.664 405 H ASP 52 H ASP 52 22.699 -11.879 -1.790 406 HA ASP 52 HA ASP 52 22.730 -9.560 -3.392 407 HB2 ASP 52 2HB ASP 52 21.989 -12.424 -4.030 408 HB3 ASP 52 1HB ASP 52 22.169 -11.159 -5.244 409 H ALA 53 H ALA 53 20.217 -11.411 -1.933 410 HA ALA 53 HA ALA 53 18.021 -10.943 -3.514 411 HB1 ALA 53 1HB ALA 53 18.131 -12.294 -1.394 412 HB2 ALA 53 2HB ALA 53 16.680 -11.305 -1.581 413 HB3 ALA 53 3HB ALA 53 17.974 -10.779 -0.506 414 H VAL 54 H VAL 54 19.487 -8.697 -1.140 415 HA VAL 54 HA VAL 54 17.414 -6.783 -1.201 416 HB VAL 54 HB VAL 54 19.380 -6.769 0.384 417 HG11 VAL 54 1HG1 VAL 54 21.005 -7.101 -1.623 418 HG12 VAL 54 2HG1 VAL 54 21.499 -6.014 -0.328 419 HG13 VAL 54 3HG1 VAL 54 20.858 -5.357 -1.833 420 HG21 VAL 54 3HG2 VAL 54 18.023 -4.807 0.337 421 HG22 VAL 54 1HG2 VAL 54 18.654 -4.325 -1.239 422 HG23 VAL 54 2HG2 VAL 54 19.683 -4.231 0.188 423 H ASP 55 H ASP 55 20.307 -7.198 -3.214 424 HA ASP 55 HA ASP 55 19.942 -4.911 -4.825 425 HB2 ASP 55 2HB ASP 55 21.264 -7.564 -5.373 426 HB3 ASP 55 1HB ASP 55 21.368 -6.183 -6.461 427 H LYS 56 H LYS 56 18.870 -8.276 -5.149 428 HA LYS 56 HA LYS 56 17.659 -8.018 -7.680 429 HB2 LYS 56 2HB LYS 56 16.973 -9.841 -5.363 430 HB3 LYS 56 1HB LYS 56 16.337 -10.017 -6.999 431 HG2 LYS 56 2HG LYS 56 18.679 -10.192 -7.848 432 HG3 LYS 56 1HG LYS 56 19.252 -10.145 -6.180 433 HD2 LYS 56 2HD LYS 56 17.855 -12.158 -5.687 434 HD3 LYS 56 1HD LYS 56 17.425 -12.237 -7.396 435 HE2 LYS 56 2HE LYS 56 19.867 -12.387 -7.946 436 HE3 LYS 56 1HE LYS 56 20.208 -12.474 -6.217 437 HZ1 LYS 56 3HZ LYS 56 18.231 -14.331 -6.682 438 HZ2 LYS 56 1HZ LYS 56 19.869 -14.645 -6.369 439 HZ3 LYS 56 2HZ LYS 56 19.320 -14.519 -7.972 440 H VAL 57 H VAL 57 16.456 -7.440 -4.412 441 HA VAL 57 HA VAL 57 13.760 -7.004 -5.134 442 HB VAL 57 HB VAL 57 15.375 -6.051 -2.766 443 HG11 VAL 57 1HG1 VAL 57 13.578 -4.529 -2.849 444 HG12 VAL 57 2HG1 VAL 57 12.975 -5.812 -1.800 445 HG13 VAL 57 3HG1 VAL 57 12.463 -5.739 -3.486 446 HG21 VAL 57 3HG2 VAL 57 14.540 -7.939 -1.653 447 HG22 VAL 57 1HG2 VAL 57 14.815 -8.568 -3.278 448 HG23 VAL 57 2HG2 VAL 57 13.187 -8.118 -2.771 449 H MET 58 H MET 58 16.480 -4.716 -4.674 450 HA MET 58 HA MET 58 14.811 -2.471 -5.219 451 HB2 MET 58 2HB MET 58 16.588 -1.141 -4.744 452 HB3 MET 58 1HB MET 58 17.098 -2.615 -3.946 453 HG2 MET 58 2HG MET 58 19.022 -2.397 -5.124 454 HG3 MET 58 1HG MET 58 18.113 -2.917 -6.528 455 HE1 MET 58 3HE MET 58 18.877 -0.341 -4.155 456 HE2 MET 58 1HE MET 58 18.343 1.195 -4.847 457 HE3 MET 58 2HE MET 58 19.986 0.625 -5.122 458 H LYS 59 H LYS 59 16.817 -4.437 -7.406 459 HA LYS 59 HA LYS 59 16.900 -2.601 -9.533 460 HB2 LYS 59 2HB LYS 59 16.879 -5.597 -9.635 461 HB3 LYS 59 1HB LYS 59 17.222 -4.535 -11.003 462 HG2 LYS 59 2HG LYS 59 18.873 -3.517 -8.983 463 HG3 LYS 59 1HG LYS 59 18.937 -5.258 -8.725 464 HD2 LYS 59 2HD LYS 59 19.357 -3.896 -11.361 465 HD3 LYS 59 1HD LYS 59 20.668 -4.456 -10.315 466 HE2 LYS 59 2HE LYS 59 19.394 -6.755 -10.412 467 HE3 LYS 59 1HE LYS 59 18.671 -6.081 -11.873 468 HZ1 LYS 59 3HZ LYS 59 21.590 -6.005 -11.468 469 HZ2 LYS 59 1HZ LYS 59 20.713 -5.936 -12.918 470 HZ3 LYS 59 2HZ LYS 59 20.840 -7.405 -12.074 471 H GLU 60 H GLU 60 14.355 -5.003 -8.752 472 HA GLU 60 HA GLU 60 12.901 -4.434 -11.155 473 HB2 GLU 60 2HB GLU 60 11.186 -5.833 -10.293 474 HB3 GLU 60 1HB GLU 60 12.705 -6.546 -9.755 475 HG2 GLU 60 2HG GLU 60 12.438 -5.355 -7.576 476 HG3 GLU 60 1HG GLU 60 10.858 -4.790 -8.112 477 H LEU 61 H LEU 61 12.826 -3.212 -7.863 478 HA LEU 61 HA LEU 61 10.460 -1.670 -8.137 479 HB2 LEU 61 2HB LEU 61 12.790 -1.312 -6.253 480 HB3 LEU 61 1HB LEU 61 11.235 -0.510 -6.102 481 HG LEU 61 HG LEU 61 11.659 -3.505 -6.022 482 HD11 LEU 61 1HD1 LEU 61 11.547 -3.368 -3.696 483 HD12 LEU 61 2HD1 LEU 61 10.677 -1.833 -3.727 484 HD13 LEU 61 3HD1 LEU 61 12.407 -1.875 -4.059 485 HD21 LEU 61 3HD2 LEU 61 9.222 -3.202 -5.025 486 HD22 LEU 61 1HD2 LEU 61 9.451 -3.308 -6.758 487 HD23 LEU 61 2HD2 LEU 61 9.230 -1.734 -5.983 488 H ASP 62 H ASP 62 13.849 -0.962 -8.820 489 HA ASP 62 HA ASP 62 13.316 1.841 -9.089 490 HB2 ASP 62 2HB ASP 62 15.569 0.916 -8.578 491 HB3 ASP 62 1HB ASP 62 15.638 0.285 -10.225 492 H GLU 63 H GLU 63 11.646 2.129 -10.486 493 HA GLU 63 HA GLU 63 11.390 1.034 -13.090 494 HB2 GLU 63 2HB GLU 63 9.530 2.079 -11.944 495 HB3 GLU 63 1HB GLU 63 10.424 3.597 -11.808 496 HG2 GLU 63 2HG GLU 63 10.480 3.814 -14.231 497 HG3 GLU 63 1HG GLU 63 9.565 2.297 -14.412 498 H ASN 64 H ASN 64 12.625 3.987 -11.834 499 HA ASN 64 HA ASN 64 13.299 5.374 -14.129 500 HB2 ASN 64 2HB ASN 64 14.414 5.270 -11.383 501 HB3 ASN 64 1HB ASN 64 14.789 6.573 -12.508 502 HD21 ASN 64 1HD2 ASN 64 12.259 7.088 -13.603 503 HD22 ASN 64 2HD2 ASN 64 11.178 7.542 -12.376 504 H GLY 65 H GLY 65 15.087 2.903 -12.345 505 HA2 GLY 65 2HA GLY 65 16.928 1.643 -13.068 506 HA3 GLY 65 1HA GLY 65 16.999 2.635 -14.531 507 H ASP 66 H ASP 66 16.615 4.265 -11.593 508 HA ASP 66 HA ASP 66 19.157 5.620 -11.817 509 HB2 ASP 66 2HB ASP 66 18.165 7.079 -10.100 510 HB3 ASP 66 1HB ASP 66 17.036 6.820 -11.432 511 H GLY 67 H GLY 67 18.431 2.750 -10.461 512 HA2 GLY 67 2HA GLY 67 19.450 1.450 -8.853 513 HA3 GLY 67 1HA GLY 67 20.709 2.682 -8.781 514 H GLU 68 H GLU 68 17.966 4.325 -8.314 515 HA GLU 68 HA GLU 68 18.075 4.098 -5.355 516 HB2 GLU 68 2HB GLU 68 18.899 6.235 -6.512 517 HB3 GLU 68 1HB GLU 68 17.220 6.506 -6.965 518 HG2 GLU 68 2HG GLU 68 17.585 7.719 -4.938 519 HG3 GLU 68 1HG GLU 68 16.646 6.298 -4.490 520 H VAL 69 H VAL 69 16.152 3.861 -4.268 521 HA VAL 69 HA VAL 69 13.781 3.342 -5.944 522 HB VAL 69 HB VAL 69 14.345 2.572 -3.070 523 HG11 VAL 69 1HG1 VAL 69 11.931 2.769 -3.679 524 HG12 VAL 69 2HG1 VAL 69 12.414 1.130 -3.249 525 HG13 VAL 69 3HG1 VAL 69 12.205 1.570 -4.945 526 HG21 VAL 69 3HG2 VAL 69 15.729 1.552 -5.034 527 HG22 VAL 69 1HG2 VAL 69 14.250 0.643 -5.344 528 HG23 VAL 69 2HG2 VAL 69 15.065 0.504 -3.785 529 H ASP 70 H ASP 70 11.997 4.656 -5.796 530 HA ASP 70 HA ASP 70 12.201 6.880 -3.866 531 HB2 ASP 70 2HB ASP 70 10.775 8.148 -5.296 532 HB3 ASP 70 1HB ASP 70 11.996 7.395 -6.311 533 H PHE 71 H PHE 71 10.009 7.762 -3.186 534 HA PHE 71 HA PHE 71 8.815 6.044 -1.367 535 HB2 PHE 71 2HB PHE 71 8.779 8.614 -1.614 536 HB3 PHE 71 1HB PHE 71 7.415 8.366 -2.689 537 HD1 PHE 71 1HD PHE 71 6.707 5.772 -0.616 538 HD2 PHE 71 2HD PHE 71 7.126 10.037 -0.379 539 HE1 PHE 71 1HE PHE 71 5.182 5.811 1.325 540 HE2 PHE 71 2HE PHE 71 5.613 10.058 1.571 541 HZ PHE 71 HZ PHE 71 4.647 7.953 2.413 542 H GLN 72 H GLN 72 7.630 6.934 -4.652 543 HA GLN 72 HA GLN 72 5.200 5.478 -4.485 544 HB2 GLN 72 2HB GLN 72 6.894 6.207 -6.891 545 HB3 GLN 72 1HB GLN 72 5.259 5.551 -6.984 546 HG2 GLN 72 2HG GLN 72 4.406 7.450 -5.692 547 HG3 GLN 72 1HG GLN 72 6.022 8.107 -5.533 548 HE21 GLN 72 1HE2 GLN 72 4.010 9.651 -6.724 549 HE22 GLN 72 2HE2 GLN 72 4.334 9.807 -8.378 550 H GLU 73 H GLU 73 8.437 4.480 -5.609 551 HA GLU 73 HA GLU 73 7.696 1.914 -6.536 552 HB2 GLU 73 2HB GLU 73 10.293 3.008 -5.473 553 HB3 GLU 73 1HB GLU 73 10.143 1.428 -6.224 554 HG2 GLU 73 2HG GLU 73 9.330 2.519 -8.301 555 HG3 GLU 73 1HG GLU 73 9.531 4.092 -7.546 556 H TYR 74 H TYR 74 8.835 3.139 -3.436 557 HA TYR 74 HA TYR 74 8.996 0.696 -2.015 558 HB2 TYR 74 2HB TYR 74 10.024 2.824 -1.297 559 HB3 TYR 74 1HB TYR 74 8.419 3.494 -1.005 560 HD1 TYR 74 1HD TYR 74 10.926 1.032 0.115 561 HD2 TYR 74 2HD TYR 74 7.088 2.794 0.898 562 HE1 TYR 74 1HE TYR 74 10.933 0.048 2.390 563 HE2 TYR 74 2HE TYR 74 7.094 1.800 3.169 564 HH TYR 74 HH TYR 74 9.163 -0.634 4.100 565 H VAL 75 H VAL 75 6.488 3.061 -2.503 566 HA VAL 75 HA VAL 75 4.570 2.046 -0.724 567 HB VAL 75 HB VAL 75 4.700 4.243 -2.523 568 HG11 VAL 75 1HG1 VAL 75 2.431 4.199 -3.554 569 HG12 VAL 75 2HG1 VAL 75 2.344 2.488 -3.192 570 HG13 VAL 75 3HG1 VAL 75 3.569 3.083 -4.295 571 HG21 VAL 75 3HG2 VAL 75 2.608 3.302 -0.563 572 HG22 VAL 75 1HG2 VAL 75 2.476 4.834 -1.425 573 HG23 VAL 75 2HG2 VAL 75 3.841 4.551 -0.344 574 H VAL 76 H VAL 76 5.050 1.391 -4.227 575 HA VAL 76 HA VAL 76 2.879 -0.478 -4.215 576 HB VAL 76 HB VAL 76 3.640 -1.244 -6.372 577 HG11 VAL 76 1HG1 VAL 76 4.220 1.718 -6.318 578 HG12 VAL 76 2HG1 VAL 76 2.598 1.099 -6.003 579 HG13 VAL 76 3HG1 VAL 76 3.377 0.784 -7.553 580 HG21 VAL 76 3HG2 VAL 76 6.087 0.469 -5.991 581 HG22 VAL 76 1HG2 VAL 76 5.746 -0.603 -7.337 582 HG23 VAL 76 2HG2 VAL 76 6.099 -1.271 -5.744 583 H LEU 77 H LEU 77 6.362 -0.728 -3.466 584 HA LEU 77 HA LEU 77 6.527 -3.533 -3.450 585 HB2 LEU 77 2HB LEU 77 8.525 -2.243 -3.096 586 HB3 LEU 77 1HB LEU 77 7.862 -1.502 -1.654 587 HG LEU 77 HG LEU 77 7.824 -3.748 -0.548 588 HD11 LEU 77 1HD1 LEU 77 9.145 -5.578 -1.555 589 HD12 LEU 77 2HD1 LEU 77 9.302 -4.646 -3.033 590 HD13 LEU 77 3HD1 LEU 77 7.721 -5.203 -2.512 591 HD21 LEU 77 3HD2 LEU 77 10.354 -2.514 -1.570 592 HD22 LEU 77 1HD2 LEU 77 10.418 -3.951 -0.547 593 HD23 LEU 77 2HD2 LEU 77 9.661 -2.474 0.054 594 H VAL 78 H VAL 78 5.618 -1.390 -0.702 595 HA VAL 78 HA VAL 78 5.077 -3.657 0.954 596 HB VAL 78 HB VAL 78 3.998 -2.134 2.537 597 HG11 VAL 78 1HG1 VAL 78 6.212 -2.111 3.034 598 HG12 VAL 78 2HG1 VAL 78 6.097 -0.434 2.499 599 HG13 VAL 78 3HG1 VAL 78 6.702 -1.673 1.393 600 HG21 VAL 78 3HG2 VAL 78 4.564 0.107 0.570 601 HG22 VAL 78 1HG2 VAL 78 3.742 0.213 2.122 602 HG23 VAL 78 2HG2 VAL 78 2.971 -0.619 0.779 603 H ALA 79 H ALA 79 3.033 -1.718 -1.189 604 HA ALA 79 HA ALA 79 0.585 -2.847 -0.197 605 HB1 ALA 79 1HB ALA 79 0.735 -1.998 -3.041 606 HB2 ALA 79 2HB ALA 79 1.100 -0.791 -1.817 607 HB3 ALA 79 3HB ALA 79 -0.453 -1.608 -1.794 608 H ALA 80 H ALA 80 2.609 -3.655 -3.007 609 HA ALA 80 HA ALA 80 1.022 -5.798 -3.929 610 HB1 ALA 80 1HB ALA 80 3.960 -5.159 -4.267 611 HB2 ALA 80 2HB ALA 80 2.648 -4.858 -5.410 612 HB3 ALA 80 3HB ALA 80 3.167 -6.513 -5.075 613 H LEU 81 H LEU 81 3.727 -5.581 -1.612 614 HA LEU 81 HA LEU 81 3.831 -8.404 -1.172 615 HB2 LEU 81 2HB LEU 81 4.957 -6.018 0.205 616 HB3 LEU 81 1HB LEU 81 4.807 -7.498 1.149 617 HG LEU 81 HG LEU 81 6.201 -8.723 -0.351 618 HD11 LEU 81 1HD1 LEU 81 5.672 -6.469 -2.254 619 HD12 LEU 81 2HD1 LEU 81 5.634 -8.204 -2.541 620 HD13 LEU 81 3HD1 LEU 81 7.174 -7.373 -2.396 621 HD21 LEU 81 3HD2 LEU 81 8.285 -7.446 -0.322 622 HD22 LEU 81 1HD2 LEU 81 7.384 -7.152 1.165 623 HD23 LEU 81 2HD2 LEU 81 7.385 -5.943 -0.117 624 H THR 82 H THR 82 1.847 -5.798 0.189 625 HA THR 82 HA THR 82 0.819 -7.294 2.367 626 HB THR 82 HB THR 82 -0.612 -5.170 0.756 627 HG1 THR 82 1HG THR 82 0.790 -3.864 1.562 628 HG21 THR 82 3HG2 THR 82 -1.377 -4.814 3.311 629 HG22 THR 82 1HG2 THR 82 -1.100 -6.554 3.344 630 HG23 THR 82 2HG2 THR 82 -2.249 -5.864 2.196 631 H VAL 83 H VAL 83 -0.511 -6.799 -0.928 632 HA VAL 83 HA VAL 83 -2.697 -8.590 -0.490 633 HB VAL 83 HB VAL 83 -2.750 -6.975 -2.360 634 HG11 VAL 83 1HG1 VAL 83 -0.318 -7.401 -3.034 635 HG12 VAL 83 2HG1 VAL 83 -1.466 -7.248 -4.333 636 HG13 VAL 83 3HG1 VAL 83 -0.898 -8.844 -3.845 637 HG21 VAL 83 3HG2 VAL 83 -3.954 -9.313 -2.259 638 HG22 VAL 83 1HG2 VAL 83 -2.867 -9.714 -3.593 639 HG23 VAL 83 2HG2 VAL 83 -4.003 -8.370 -3.748 640 H ALA 84 H ALA 84 0.580 -9.086 -1.686 641 HA ALA 84 HA ALA 84 0.239 -11.795 -2.456 642 HB1 ALA 84 1HB ALA 84 2.784 -10.510 -1.464 643 HB2 ALA 84 2HB ALA 84 2.152 -10.280 -3.095 644 HB3 ALA 84 3HB ALA 84 2.624 -11.890 -2.551 645 H CYS 85 H CHC 85 0.818 -10.175 0.570 646 HA CYS 85 HA CHC 85 1.659 -12.449 2.060 647 HB2 CYS 85 2HB CHC 85 1.937 -9.988 2.695 648 HB3 CYS 85 1HB CHC 85 0.240 -10.026 3.173 649 H ASN 86 H ASN 86 -1.482 -10.704 1.862 650 HA ASN 86 HA ASN 86 -2.893 -12.565 3.442 651 HB2 ASN 86 2HB ASN 86 -3.813 -10.369 2.634 652 HB3 ASN 86 1HB ASN 86 -4.015 -11.102 1.042 653 HD21 ASN 86 1HD2 ASN 86 -4.960 -11.602 4.483 654 HD22 ASN 86 2HD2 ASN 86 -6.438 -12.352 4.118 655 H ASN 87 H ASN 87 -2.120 -12.510 -0.015 656 HA ASN 87 HA ASN 87 -3.542 -14.833 -0.788 657 HB2 ASN 87 2HB ASN 87 -0.971 -13.650 -1.865 658 HB3 ASN 87 1HB ASN 87 -1.900 -14.918 -2.662 659 HD21 ASN 87 1HD2 ASN 87 -1.482 -12.384 -3.924 660 HD22 ASN 87 2HD2 ASN 87 -2.975 -11.582 -4.016 661 H PHE 88 H PHE 88 -0.354 -14.354 0.641 662 HA PHE 88 HA PHE 88 0.572 -17.004 0.349 663 HB2 PHE 88 2HB PHE 88 2.012 -15.067 0.945 664 HB3 PHE 88 1HB PHE 88 1.262 -15.035 2.540 665 HD1 PHE 88 1HD PHE 88 3.377 -17.026 0.242 666 HD2 PHE 88 2HD PHE 88 1.794 -16.676 4.219 667 HE1 PHE 88 1HE PHE 88 4.940 -18.787 1.020 668 HE2 PHE 88 2HE PHE 88 3.356 -18.438 4.997 669 HZ PHE 88 HZ PHE 88 4.931 -19.493 3.396 670 H PHE 89 H PHE 89 -1.128 -15.398 3.054 671 HA PHE 89 HA PHE 89 -1.128 -17.684 4.736 672 HB2 PHE 89 2HB PHE 89 -1.544 -15.373 5.527 673 HB3 PHE 89 1HB PHE 89 -3.105 -15.397 4.708 674 HD1 PHE 89 2HD PHE 89 -1.101 -16.913 7.430 675 HD2 PHE 89 1HD PHE 89 -4.972 -16.634 5.593 676 HE1 PHE 89 2HE PHE 89 -2.111 -18.058 9.385 677 HE2 PHE 89 1HE PHE 89 -5.983 -17.780 7.547 678 HZ PHE 89 HZ PHE 89 -4.551 -18.491 9.443 679 H TRP 90 H TRP 90 -3.725 -16.354 2.668 680 HA TRP 90 HA TRP 90 -5.587 -18.424 3.154 681 HB2 TRP 90 2HB TRP 90 -6.225 -16.252 2.210 682 HB3 TRP 90 1HB TRP 90 -5.354 -16.658 0.725 683 HD1 TRP 90 HD TRP 90 -6.164 -18.884 -0.550 684 HE1 TRP 90 1HE TRP 90 -8.527 -19.867 -0.841 685 HE3 TRP 90 3HE TRP 90 -8.536 -16.515 3.275 686 HZ2 TRP 90 2HZ TRP 90 -11.103 -19.661 0.409 687 HZ3 TRP 90 3HZ TRP 90 -10.942 -16.920 3.713 688 HH2 TRP 90 HH TRP 90 -12.228 -18.490 2.286 689 H GLU 91 H GLU 91 -3.130 -18.017 0.708 690 HA GLU 91 HA GLU 91 -3.857 -20.581 -0.515 691 HB2 GLU 91 2HB GLU 91 -3.328 -18.173 -1.611 692 HB3 GLU 91 1HB GLU 91 -1.710 -18.858 -1.645 693 HG2 GLU 91 2HG GLU 91 -4.170 -20.269 -2.734 694 HG3 GLU 91 1HG GLU 91 -3.062 -19.319 -3.723 695 H ASN 92 H ASN 92 -2.441 -22.299 -0.662 696 HA ASN 92 HA ASN 92 -0.741 -23.703 -0.015 697 HB2 ASN 92 2HB ASN 92 0.619 -22.028 -1.296 698 HB3 ASN 92 1HB ASN 92 0.910 -21.177 0.218 699 HD21 ASN 92 1HD2 ASN 92 1.306 -24.429 -1.280 700 HD22 ASN 92 2HD2 ASN 92 2.689 -24.831 -0.381 701 H SER 93 H SER 93 -2.511 -23.026 1.981 702 HA SER 93 HA SER 93 -0.758 -23.105 4.349 703 HB2 SER 93 2HB SER 93 -1.573 -20.810 4.227 704 HB3 SER 93 1HB SER 93 -3.229 -21.381 4.051 705 HG SER 93 HG SER 93 -1.510 -21.874 6.260 706 H1 GLY 1 H GLY 1 10.314 -3.173 15.958 707 HA2 GLY 1 2HA GLY 1 8.922 -0.829 14.838 708 HA3 GLY 1 1HA GLY 1 10.342 -1.606 14.146 709 H SER 2 H SER 2 7.565 -3.389 15.309 710 HA SER 2 HA SER 2 7.222 -4.629 12.713 711 HB2 SER 2 2HB SER 2 5.784 -5.001 15.348 712 HB3 SER 2 1HB SER 2 5.452 -5.943 13.897 713 HG SER 2 HG SER 2 7.600 -6.019 15.637 714 H GLU 3 H GLU 3 6.391 -1.711 13.630 715 HA GLU 3 HA GLU 3 3.611 -1.476 13.397 716 HB2 GLU 3 2HB GLU 3 5.811 0.462 12.673 717 HB3 GLU 3 1HB GLU 3 4.104 0.889 12.727 718 HG2 GLU 3 2HG GLU 3 4.015 0.172 15.090 719 HG3 GLU 3 1HG GLU 3 5.738 -0.192 15.034 720 H LEU 4 H LEU 4 6.104 -1.559 10.844 721 HA LEU 4 HA LEU 4 4.424 -0.693 8.752 722 HB2 LEU 4 2HB LEU 4 6.982 -1.156 8.784 723 HB3 LEU 4 1HB LEU 4 6.536 -2.818 8.411 724 HG LEU 4 HG LEU 4 5.527 -0.462 6.793 725 HD11 LEU 4 1HD1 LEU 4 8.041 -0.521 6.828 726 HD12 LEU 4 2HD1 LEU 4 7.318 -0.718 5.234 727 HD13 LEU 4 3HD1 LEU 4 7.955 -2.119 6.088 728 HD21 LEU 4 3HD2 LEU 4 5.061 -3.302 6.651 729 HD22 LEU 4 1HD2 LEU 4 5.889 -2.777 5.190 730 HD23 LEU 4 2HD2 LEU 4 4.386 -2.006 5.674 731 H GLU 5 H GLU 5 5.034 -3.893 10.174 732 HA GLU 5 HA GLU 5 3.375 -5.365 8.397 733 HB2 GLU 5 2HB GLU 5 4.259 -5.950 11.229 734 HB3 GLU 5 1HB GLU 5 3.360 -7.088 10.227 735 HG2 GLU 5 2HG GLU 5 5.161 -6.981 8.533 736 HG3 GLU 5 1HG GLU 5 6.070 -5.901 9.586 737 H THR 6 H THR 6 2.792 -3.667 11.440 738 HA THR 6 HA THR 6 0.182 -4.606 11.906 739 HB THR 6 HB THR 6 1.259 -1.837 12.503 740 HG1 THR 6 1HG THR 6 2.391 -2.749 14.002 741 HG21 THR 6 3HG2 THR 6 -0.373 -2.115 14.450 742 HG22 THR 6 1HG2 THR 6 -1.034 -3.491 13.568 743 HG23 THR 6 2HG2 THR 6 -1.097 -1.877 12.860 744 H ALA 7 H ALA 7 1.466 -1.977 9.953 745 HA ALA 7 HA ALA 7 -1.038 -0.898 9.140 746 HB1 ALA 7 1HB ALA 7 1.375 -0.845 7.361 747 HB2 ALA 7 2HB ALA 7 1.395 0.043 8.881 748 HB3 ALA 7 3HB ALA 7 0.182 0.418 7.659 749 H MET 8 H MET 8 1.163 -3.269 7.645 750 HA MET 8 HA MET 8 -0.332 -3.719 5.289 751 HB2 MET 8 2HB MET 8 1.500 -5.526 6.900 752 HB3 MET 8 1HB MET 8 0.896 -5.929 5.293 753 HG2 MET 8 2HG MET 8 1.942 -3.891 4.377 754 HG3 MET 8 1HG MET 8 2.549 -3.464 5.965 755 HE1 MET 8 3HE MET 8 2.433 -7.015 3.995 756 HE2 MET 8 1HE MET 8 3.959 -6.760 3.141 757 HE3 MET 8 2HE MET 8 2.637 -5.616 2.942 758 H GLU 9 H GLU 9 -0.479 -5.203 8.501 759 HA GLU 9 HA GLU 9 -2.491 -7.104 7.878 760 HB2 GLU 9 2HB GLU 9 -1.669 -5.865 10.511 761 HB3 GLU 9 1HB GLU 9 -2.846 -7.170 10.361 762 HG2 GLU 9 2HG GLU 9 -1.140 -8.561 9.225 763 HG3 GLU 9 1HG GLU 9 0.039 -7.273 9.433 764 H THR 10 H THR 10 -2.552 -3.729 8.936 765 HA THR 10 HA THR 10 -5.323 -3.636 9.506 766 HB THR 10 HB THR 10 -3.590 -1.404 8.454 767 HG1 THR 10 1HG THR 10 -4.081 -1.391 11.096 768 HG21 THR 10 3HG2 THR 10 -5.224 0.045 9.573 769 HG22 THR 10 1HG2 THR 10 -6.122 -1.370 10.123 770 HG23 THR 10 2HG2 THR 10 -6.043 -0.989 8.400 771 H LEU 11 H LEU 11 -3.465 -3.040 6.499 772 HA LEU 11 HA LEU 11 -5.705 -2.252 4.952 773 HB2 LEU 11 2HB LEU 11 -3.285 -3.782 3.965 774 HB3 LEU 11 1HB LEU 11 -4.371 -2.802 2.991 775 HG LEU 11 HG LEU 11 -2.462 -1.828 5.126 776 HD11 LEU 11 1HD1 LEU 11 -1.364 -2.297 3.031 777 HD12 LEU 11 2HD1 LEU 11 -1.527 -0.548 3.183 778 HD13 LEU 11 3HD1 LEU 11 -2.622 -1.448 2.133 779 HD21 LEU 11 3HD2 LEU 11 -4.696 -0.420 3.671 780 HD22 LEU 11 1HD2 LEU 11 -3.264 0.464 4.192 781 HD23 LEU 11 2HD2 LEU 11 -4.272 -0.346 5.386 782 H ILE 12 H ILE 12 -4.213 -5.389 5.634 783 HA ILE 12 HA ILE 12 -5.940 -6.918 3.981 784 HB ILE 12 HB ILE 12 -4.499 -7.699 6.522 785 HG12 ILE 12 2HG1 ILE 12 -3.800 -8.273 3.632 786 HG13 ILE 12 1HG1 ILE 12 -3.126 -6.918 4.519 787 HG21 ILE 12 1HG2 ILE 12 -4.778 -10.029 5.466 788 HG22 ILE 12 2HG2 ILE 12 -6.037 -9.294 4.472 789 HG23 ILE 12 3HG2 ILE 12 -6.201 -9.320 6.229 790 HD11 ILE 12 3HD1 ILE 12 -2.976 -9.707 5.642 791 HD12 ILE 12 1HD1 ILE 12 -1.936 -8.325 5.983 792 HD13 ILE 12 2HD1 ILE 12 -1.802 -9.169 4.439 793 H ASN 13 H ASN 13 -6.197 -6.017 7.401 794 HA ASN 13 HA ASN 13 -8.538 -7.449 7.970 795 HB2 ASN 13 2HB ASN 13 -7.422 -4.936 9.205 796 HB3 ASN 13 1HB ASN 13 -8.754 -5.870 9.885 797 HD21 ASN 13 1HD2 ASN 13 -6.288 -5.551 11.309 798 HD22 ASN 13 2HD2 ASN 13 -5.522 -7.064 11.391 799 H VAL 14 H VAL 14 -8.178 -4.079 6.788 800 HA VAL 14 HA VAL 14 -11.009 -3.644 6.988 801 HB VAL 14 HB VAL 14 -10.672 -1.505 5.929 802 HG11 VAL 14 1HG1 VAL 14 -9.428 -0.541 7.633 803 HG12 VAL 14 2HG1 VAL 14 -8.202 -1.807 7.602 804 HG13 VAL 14 3HG1 VAL 14 -9.777 -2.124 8.328 805 HG21 VAL 14 3HG2 VAL 14 -7.948 -2.590 5.179 806 HG22 VAL 14 1HG2 VAL 14 -8.267 -0.864 5.263 807 HG23 VAL 14 2HG2 VAL 14 -9.161 -1.874 4.126 808 H PHE 15 H PHE 15 -8.828 -4.534 4.312 809 HA PHE 15 HA PHE 15 -10.773 -4.410 2.263 810 HB2 PHE 15 2HB PHE 15 -8.385 -4.653 1.775 811 HB3 PHE 15 1HB PHE 15 -8.385 -6.252 2.525 812 HD1 PHE 15 1HD PHE 15 -10.160 -4.287 -0.137 813 HD2 PHE 15 2HD PHE 15 -8.830 -8.130 1.237 814 HE1 PHE 15 1HE PHE 15 -10.929 -5.321 -2.252 815 HE2 PHE 15 2HE PHE 15 -9.590 -9.154 -0.885 816 HZ PHE 15 HZ PHE 15 -10.645 -7.749 -2.632 817 H HIS 16 H HIS 16 -9.738 -7.010 4.405 818 HA HIS 16 HA HIS 16 -11.629 -8.884 3.445 819 HB2 HIS 16 2HB HIS 16 -9.595 -9.569 4.689 820 HB3 HIS 16 1HB HIS 16 -10.250 -8.803 6.137 821 HD1 HIS 16 1HD HIS 16 -12.134 -10.015 7.386 822 HD2 HIS 16 2HD HIS 16 -10.994 -11.954 3.876 823 HE1 HIS 16 1HE HIS 16 -13.259 -12.285 7.424 824 HE2 HIS 16 2HE HIS 16 -12.574 -13.479 5.289 825 H ALA 17 H ALA 17 -11.731 -6.395 5.892 826 HA ALA 17 HA ALA 17 -14.011 -7.285 7.237 827 HB1 ALA 17 1HB ALA 17 -13.365 -4.387 6.555 828 HB2 ALA 17 2HB ALA 17 -12.596 -5.290 7.875 829 HB3 ALA 17 3HB ALA 17 -14.328 -4.984 7.917 830 H HIS 18 H HIS 18 -13.749 -5.039 4.456 831 HA HIS 18 HA HIS 18 -16.656 -5.124 4.190 832 HB2 HIS 18 2HB HIS 18 -14.473 -3.711 2.713 833 HB3 HIS 18 1HB HIS 18 -16.110 -3.763 2.056 834 HD1 HIS 18 1HD HIS 18 -14.381 -2.882 5.353 835 HD2 HIS 18 2HD HIS 18 -17.799 -1.889 3.188 836 HE1 HIS 18 1HE HIS 18 -15.538 -1.039 6.649 837 HE2 HIS 18 2HE HIS 18 -17.624 -0.421 5.341 838 H SER 19 H SER 19 -13.949 -6.352 2.212 839 HA SER 19 HA SER 19 -15.515 -7.417 0.158 840 HB2 SER 19 2HB SER 19 -13.079 -7.279 0.024 841 HB3 SER 19 1HB SER 19 -12.932 -8.498 1.290 842 HG SER 19 HG SER 19 -14.423 -8.921 -1.075 843 H GLY 20 H GLY 20 -14.451 -8.854 3.220 844 HA2 GLY 20 2HA GLY 20 -15.739 -11.359 2.712 845 HA3 GLY 20 1HA GLY 20 -15.018 -10.864 4.227 846 H LYS 21 H LYS 21 -16.486 -8.505 4.728 847 HA LYS 21 HA LYS 21 -18.775 -9.539 5.981 848 HB2 LYS 21 2HB LYS 21 -17.695 -7.509 6.704 849 HB3 LYS 21 1HB LYS 21 -18.152 -6.690 5.206 850 HG2 LYS 21 2HG LYS 21 -20.521 -6.962 5.803 851 HG3 LYS 21 1HG LYS 21 -20.054 -7.813 7.279 852 HD2 LYS 21 2HD LYS 21 -20.466 -5.467 7.805 853 HD3 LYS 21 1HD LYS 21 -18.751 -5.803 7.983 854 HE2 LYS 21 2HE LYS 21 -19.605 -4.920 5.283 855 HE3 LYS 21 1HE LYS 21 -19.737 -3.706 6.555 856 HZ1 LYS 21 3HZ LYS 21 -17.315 -5.258 5.829 857 HZ2 LYS 21 1HZ LYS 21 -17.420 -4.217 7.164 858 HZ3 LYS 21 2HZ LYS 21 -17.569 -3.595 5.590 859 H GLU 22 H GLU 22 -18.540 -7.893 2.808 860 HA GLU 22 HA GLU 22 -21.396 -8.591 2.420 861 HB2 GLU 22 2HB GLU 22 -19.884 -6.211 1.383 862 HB3 GLU 22 1HB GLU 22 -21.528 -6.638 0.898 863 HG2 GLU 22 2HG GLU 22 -22.222 -6.547 3.278 864 HG3 GLU 22 1HG GLU 22 -20.592 -6.056 3.709 865 H GLY 23 H GLY 23 -22.113 -9.322 0.488 866 HA2 GLY 23 2HA GLY 23 -22.074 -10.554 -1.442 867 HA3 GLY 23 1HA GLY 23 -20.863 -9.393 -1.963 868 H ASP 24 H ASP 24 -19.552 -10.718 -3.058 869 HA ASP 24 HA ASP 24 -18.673 -13.274 -2.138 870 HB2 ASP 24 2HB ASP 24 -17.617 -11.426 -4.288 871 HB3 ASP 24 1HB ASP 24 -17.018 -13.059 -4.007 872 H LYS 25 H LYS 25 -16.673 -13.849 -1.263 873 HA LYS 25 HA LYS 25 -15.441 -11.762 0.348 874 HB2 LYS 25 2HB LYS 25 -14.741 -14.710 0.151 875 HB3 LYS 25 1HB LYS 25 -14.231 -13.576 1.412 876 HG2 LYS 25 2HG LYS 25 -16.699 -13.201 1.958 877 HG3 LYS 25 1HG LYS 25 -17.081 -14.528 0.865 878 HD2 LYS 25 2HD LYS 25 -15.229 -14.744 3.259 879 HD3 LYS 25 1HD LYS 25 -16.909 -15.279 3.229 880 HE2 LYS 25 2HE LYS 25 -15.766 -17.254 2.717 881 HE3 LYS 25 1HE LYS 25 -16.163 -16.635 1.114 882 HZ1 LYS 25 3HZ LYS 25 -14.025 -16.394 0.641 883 HZ2 LYS 25 1HZ LYS 25 -13.659 -17.230 2.072 884 HZ3 LYS 25 2HZ LYS 25 -13.725 -15.532 2.074 885 H TYR 26 H TYR 26 -13.225 -11.203 0.240 886 HA TYR 26 HA TYR 26 -11.255 -10.677 -0.794 887 HB2 TYR 26 2HB TYR 26 -11.641 -13.360 -2.130 888 HB3 TYR 26 1HB TYR 26 -10.131 -12.450 -2.050 889 HD1 TYR 26 2HD TYR 26 -9.100 -11.947 0.194 890 HD2 TYR 26 1HD TYR 26 -12.402 -14.653 -0.272 891 HE1 TYR 26 2HE TYR 26 -8.648 -12.883 2.444 892 HE2 TYR 26 1HE TYR 26 -11.953 -15.588 1.980 893 HH TYR 26 HH TYR 26 -9.440 -14.206 4.074 894 H LYS 27 H LYS 27 -13.995 -10.270 -2.164 895 HA LYS 27 HA LYS 27 -12.833 -9.221 -4.652 896 HB2 LYS 27 2HB LYS 27 -14.101 -11.414 -5.099 897 HB3 LYS 27 1HB LYS 27 -15.556 -10.535 -4.641 898 HG2 LYS 27 2HG LYS 27 -15.477 -10.304 -6.997 899 HG3 LYS 27 1HG LYS 27 -14.819 -8.783 -6.391 900 HD2 LYS 27 2HD LYS 27 -12.562 -9.456 -6.845 901 HD3 LYS 27 1HD LYS 27 -13.035 -11.133 -7.090 902 HE2 LYS 27 2HE LYS 27 -14.454 -10.211 -9.056 903 HE3 LYS 27 1HE LYS 27 -13.459 -8.760 -8.898 904 HZ1 LYS 27 3HZ LYS 27 -12.176 -9.927 -10.316 905 HZ2 LYS 27 1HZ LYS 27 -12.723 -11.437 -9.773 906 HZ3 LYS 27 2HZ LYS 27 -11.571 -10.575 -8.867 907 H LEU 28 H LEU 28 -13.599 -7.099 -5.073 908 HA LEU 28 HA LEU 28 -15.445 -6.072 -2.991 909 HB2 LEU 28 2HB LEU 28 -12.919 -5.414 -3.256 910 HB3 LEU 28 1HB LEU 28 -13.503 -4.442 -4.561 911 HG LEU 28 HG LEU 28 -15.007 -3.200 -3.085 912 HD11 LEU 28 1HD1 LEU 28 -14.074 -5.217 -1.057 913 HD12 LEU 28 2HD1 LEU 28 -15.646 -4.432 -1.220 914 HD13 LEU 28 3HD1 LEU 28 -14.298 -3.559 -0.505 915 HD21 LEU 28 3HD2 LEU 28 -12.088 -3.367 -2.238 916 HD22 LEU 28 1HD2 LEU 28 -13.168 -2.097 -1.689 917 HD23 LEU 28 2HD2 LEU 28 -12.790 -2.258 -3.409 918 H SER 29 H SER 29 -17.330 -5.162 -3.618 919 HA SER 29 HA SER 29 -17.773 -4.616 -6.485 920 HB2 SER 29 2HB SER 29 -19.296 -6.278 -5.567 921 HB3 SER 29 1HB SER 29 -19.737 -5.187 -4.274 922 HG SER 29 HG SER 29 -20.270 -3.721 -6.166 923 H LYS 30 H LYS 30 -19.113 -2.754 -7.050 924 HA LYS 30 HA LYS 30 -18.139 -0.345 -6.126 925 HB2 LYS 30 2HB LYS 30 -19.503 -0.655 -8.179 926 HB3 LYS 30 1HB LYS 30 -20.927 -0.819 -7.156 927 HG2 LYS 30 2HG LYS 30 -20.433 1.463 -6.202 928 HG3 LYS 30 1HG LYS 30 -19.123 1.607 -7.374 929 HD2 LYS 30 2HD LYS 30 -21.083 2.678 -8.291 930 HD3 LYS 30 1HD LYS 30 -20.794 1.194 -9.200 931 HE2 LYS 30 2HE LYS 30 -22.667 0.156 -8.353 932 HE3 LYS 30 1HE LYS 30 -22.551 0.966 -6.785 933 HZ1 LYS 30 3HZ LYS 30 -23.305 3.012 -7.851 934 HZ2 LYS 30 1HZ LYS 30 -24.445 1.768 -8.031 935 HZ3 LYS 30 2HZ LYS 30 -23.451 2.204 -9.338 936 H LYS 31 H LYS 31 -21.170 -1.933 -5.215 937 HA LYS 31 HA LYS 31 -22.101 0.070 -3.510 938 HB2 LYS 31 2HB LYS 31 -23.599 -1.618 -2.654 939 HB3 LYS 31 1HB LYS 31 -23.378 -1.926 -4.378 940 HG2 LYS 31 2HG LYS 31 -21.554 -3.574 -3.763 941 HG3 LYS 31 1HG LYS 31 -22.032 -3.342 -2.078 942 HD2 LYS 31 2HD LYS 31 -24.314 -3.951 -2.694 943 HD3 LYS 31 1HD LYS 31 -23.747 -4.433 -4.284 944 HE2 LYS 31 2HE LYS 31 -22.113 -5.968 -3.117 945 HE3 LYS 31 1HE LYS 31 -22.926 -5.583 -1.600 946 HZ1 LYS 31 3HZ LYS 31 -23.632 -7.607 -3.166 947 HZ2 LYS 31 1HZ LYS 31 -24.641 -6.399 -3.797 948 HZ3 LYS 31 2HZ LYS 31 -24.722 -6.795 -2.147 949 H GLU 32 H GLU 32 -20.248 -2.878 -2.842 950 HA GLU 32 HA GLU 32 -19.991 -2.532 -0.064 951 HB2 GLU 32 2HB GLU 32 -18.099 -3.884 -2.002 952 HB3 GLU 32 1HB GLU 32 -18.075 -4.089 -0.253 953 HG2 GLU 32 2HG GLU 32 -20.427 -4.930 -0.370 954 HG3 GLU 32 1HG GLU 32 -20.333 -4.826 -2.121 955 H LEU 33 H LEU 33 -17.639 -1.590 -2.668 956 HA LEU 33 HA LEU 33 -15.818 -0.550 -0.777 957 HB2 LEU 33 2HB LEU 33 -14.798 0.760 -2.641 958 HB3 LEU 33 1HB LEU 33 -14.878 -0.964 -2.860 959 HG LEU 33 HG LEU 33 -17.221 -0.244 -4.049 960 HD11 LEU 33 1HD1 LEU 33 -16.845 1.722 -5.434 961 HD12 LEU 33 2HD1 LEU 33 -15.204 1.899 -4.832 962 HD13 LEU 33 3HD1 LEU 33 -16.577 2.199 -3.761 963 HD21 LEU 33 3HD2 LEU 33 -14.414 -0.732 -5.045 964 HD22 LEU 33 1HD2 LEU 33 -15.660 -0.308 -6.213 965 HD23 LEU 33 2HD2 LEU 33 -15.834 -1.755 -5.212 966 H LYS 34 H LYS 34 -18.622 0.846 -2.346 967 HA LYS 34 HA LYS 34 -18.085 3.506 -1.671 968 HB2 LYS 34 2HB LYS 34 -20.077 2.763 -2.988 969 HB3 LYS 34 1HB LYS 34 -20.765 2.088 -1.513 970 HG2 LYS 34 2HG LYS 34 -21.775 4.219 -1.712 971 HG3 LYS 34 1HG LYS 34 -20.502 4.452 -0.516 972 HD2 LYS 34 2HD LYS 34 -19.029 5.412 -2.212 973 HD3 LYS 34 1HD LYS 34 -20.207 5.061 -3.471 974 HE2 LYS 34 2HE LYS 34 -20.062 7.350 -1.688 975 HE3 LYS 34 1HE LYS 34 -21.086 7.115 -3.101 976 HZ1 LYS 34 3HZ LYS 34 -21.655 5.981 -0.418 977 HZ2 LYS 34 1HZ LYS 34 -22.671 5.941 -1.776 978 HZ3 LYS 34 2HZ LYS 34 -22.332 7.421 -1.013 979 H GLU 35 H GLU 35 -19.194 0.733 0.253 980 HA GLU 35 HA GLU 35 -19.644 2.325 2.617 981 HB2 GLU 35 2HB GLU 35 -19.422 -0.653 2.194 982 HB3 GLU 35 1HB GLU 35 -19.824 0.102 3.737 983 HG2 GLU 35 2HG GLU 35 -21.756 1.226 2.652 984 HG3 GLU 35 1HG GLU 35 -21.373 0.393 1.146 985 H LEU 36 H LEU 36 -16.968 0.230 1.472 986 HA LEU 36 HA LEU 36 -15.510 0.283 3.905 987 HB2 LEU 36 2HB LEU 36 -15.188 -1.223 1.831 988 HB3 LEU 36 1HB LEU 36 -14.223 0.095 1.184 989 HG LEU 36 HG LEU 36 -13.678 -1.422 3.786 990 HD11 LEU 36 1HD1 LEU 36 -13.191 -2.327 1.303 991 HD12 LEU 36 2HD1 LEU 36 -12.095 -2.612 2.652 992 HD13 LEU 36 3HD1 LEU 36 -11.762 -1.323 1.506 993 HD21 LEU 36 3HD2 LEU 36 -12.774 0.676 4.258 994 HD22 LEU 36 1HD2 LEU 36 -12.425 1.037 2.571 995 HD23 LEU 36 2HD2 LEU 36 -11.418 -0.099 3.456 996 H LEU 37 H LEU 37 -15.204 2.387 0.980 997 HA LEU 37 HA LEU 37 -13.038 3.871 2.059 998 HB2 LEU 37 2HB LEU 37 -15.053 4.572 -0.076 999 HB3 LEU 37 1HB LEU 37 -13.762 5.665 0.403 1000 HG LEU 37 HG LEU 37 -13.340 4.110 -1.624 1001 HD11 LEU 37 1HD1 LEU 37 -11.603 5.404 -0.267 1002 HD12 LEU 37 2HD1 LEU 37 -11.006 3.999 -1.145 1003 HD13 LEU 37 3HD1 LEU 37 -11.294 3.896 0.591 1004 HD21 LEU 37 3HD2 LEU 37 -14.209 2.085 -0.431 1005 HD22 LEU 37 1HD2 LEU 37 -12.786 2.141 0.591 1006 HD23 LEU 37 2HD2 LEU 37 -12.617 1.870 -1.138 1007 H GLN 38 H GLN 38 -16.553 4.429 2.124 1008 HA GLN 38 HA GLN 38 -16.408 6.934 3.425 1009 HB2 GLN 38 2HB GLN 38 -18.614 4.874 3.356 1010 HB3 GLN 38 1HB GLN 38 -18.789 6.490 4.041 1011 HG2 GLN 38 2HG GLN 38 -18.211 7.496 1.885 1012 HG3 GLN 38 1HG GLN 38 -17.959 5.902 1.182 1013 HE21 GLN 38 1HE2 GLN 38 -19.906 7.685 0.095 1014 HE22 GLN 38 2HE2 GLN 38 -21.449 7.044 0.393 1015 H THR 39 H THR 39 -16.600 3.625 4.704 1016 HA THR 39 HA THR 39 -16.921 4.469 7.416 1017 HB THR 39 HB THR 39 -16.426 2.144 7.992 1018 HG1 THR 39 1HG THR 39 -15.250 2.251 5.525 1019 HG21 THR 39 3HG2 THR 39 -18.377 2.905 5.900 1020 HG22 THR 39 1HG2 THR 39 -18.626 2.042 7.417 1021 HG23 THR 39 2HG2 THR 39 -18.035 1.179 5.999 1022 H GLU 40 H GLU 40 -14.124 3.639 5.413 1023 HA GLU 40 HA GLU 40 -12.335 4.091 7.676 1024 HB2 GLU 40 2HB GLU 40 -11.834 3.158 4.852 1025 HB3 GLU 40 1HB GLU 40 -10.568 3.421 6.045 1026 HG2 GLU 40 2HG GLU 40 -12.891 1.506 6.358 1027 HG3 GLU 40 1HG GLU 40 -11.234 1.045 5.982 1028 H LEU 41 H LEU 41 -12.711 5.385 4.357 1029 HA LEU 41 HA LEU 41 -11.147 7.736 5.217 1030 HB2 LEU 41 2HB LEU 41 -11.923 6.952 2.403 1031 HB3 LEU 41 1HB LEU 41 -10.796 8.212 2.875 1032 HG LEU 41 HG LEU 41 -10.441 5.221 3.196 1033 HD11 LEU 41 1HD1 LEU 41 -8.480 7.054 1.874 1034 HD12 LEU 41 2HD1 LEU 41 -9.962 6.671 1.008 1035 HD13 LEU 41 3HD1 LEU 41 -8.874 5.376 1.504 1036 HD21 LEU 41 3HD2 LEU 41 -8.895 7.524 4.383 1037 HD22 LEU 41 1HD2 LEU 41 -8.094 6.003 4.001 1038 HD23 LEU 41 2HD2 LEU 41 -9.418 6.023 5.159 1039 H SER 42 H SER 42 -11.919 9.784 5.105 1040 HA SER 42 HA SER 42 -14.799 10.049 4.463 1041 HB2 SER 42 2HB SER 42 -13.110 11.136 6.652 1042 HB3 SER 42 1HB SER 42 -14.329 12.219 5.986 1043 HG SER 42 HG SER 42 -15.876 10.603 6.385 1044 H GLY 43 H GLY 43 -12.015 12.228 4.816 1045 HA2 GLY 43 2HA GLY 43 -12.884 14.161 3.009 1046 HA3 GLY 43 1HA GLY 43 -11.223 13.939 3.524 1047 H PHE 44 H PHE 44 -10.842 11.286 2.347 1048 HA PHE 44 HA PHE 44 -9.992 12.093 -0.203 1049 HB2 PHE 44 2HB PHE 44 -10.459 9.337 0.935 1050 HB3 PHE 44 1HB PHE 44 -9.732 9.619 -0.644 1051 HD1 PHE 44 1HD PHE 44 -7.563 10.769 -0.854 1052 HD2 PHE 44 2HD PHE 44 -9.231 9.828 3.001 1053 HE1 PHE 44 1HE PHE 44 -5.359 11.176 0.205 1054 HE2 PHE 44 2HE PHE 44 -7.025 10.235 4.049 1055 HZ PHE 44 HZ PHE 44 -5.090 10.907 2.655 1056 H LEU 45 H LEU 45 -12.804 10.003 0.598 1057 HA LEU 45 HA LEU 45 -13.724 10.083 -2.140 1058 HB2 LEU 45 2HB LEU 45 -14.568 8.732 0.351 1059 HB3 LEU 45 1HB LEU 45 -15.902 9.202 -0.694 1060 HG LEU 45 HG LEU 45 -14.949 6.881 -1.117 1061 HD11 LEU 45 1HD1 LEU 45 -16.142 7.380 -2.973 1062 HD12 LEU 45 2HD1 LEU 45 -14.601 7.754 -3.739 1063 HD13 LEU 45 3HD1 LEU 45 -15.565 9.048 -3.016 1064 HD21 LEU 45 3HD2 LEU 45 -12.798 6.561 -1.797 1065 HD22 LEU 45 1HD2 LEU 45 -12.496 8.100 -0.995 1066 HD23 LEU 45 2HD2 LEU 45 -12.748 8.042 -2.743 1067 H ASP 46 H ASP 46 -14.616 11.658 0.858 1068 HA ASP 46 HA ASP 46 -16.910 12.952 -0.062 1069 HB2 ASP 46 2HB ASP 46 -16.222 12.755 2.326 1070 HB3 ASP 46 1HB ASP 46 -14.986 13.977 2.033 1071 H ALA 47 H ALA 47 -13.522 13.823 -0.390 1072 HA ALA 47 HA ALA 47 -13.775 16.530 -0.981 1073 HB1 ALA 47 1HB ALA 47 -11.797 14.443 -1.882 1074 HB2 ALA 47 2HB ALA 47 -11.600 15.670 -0.627 1075 HB3 ALA 47 3HB ALA 47 -11.640 16.144 -2.326 1076 H GLN 48 H GLN 48 -14.157 13.736 -3.147 1077 HA GLN 48 HA GLN 48 -14.251 15.267 -5.534 1078 HB2 GLN 48 2HB GLN 48 -15.637 12.616 -5.025 1079 HB3 GLN 48 1HB GLN 48 -15.290 13.353 -6.588 1080 HG2 GLN 48 2HG GLN 48 -13.254 12.363 -4.574 1081 HG3 GLN 48 1HG GLN 48 -13.588 11.695 -6.163 1082 HE21 GLN 48 1HE2 GLN 48 -11.423 13.633 -4.554 1083 HE22 GLN 48 2HE2 GLN 48 -10.852 14.551 -5.867 1084 H LYS 49 H LYS 49 -16.589 14.432 -3.108 1085 HA LYS 49 HA LYS 49 -18.611 15.328 -2.549 1086 HB2 LYS 49 2HB LYS 49 -17.617 17.507 -3.217 1087 HB3 LYS 49 1HB LYS 49 -18.217 17.244 -4.853 1088 HG2 LYS 49 2HG LYS 49 -20.517 17.134 -4.034 1089 HG3 LYS 49 1HG LYS 49 -19.953 17.313 -2.373 1090 HD2 LYS 49 2HD LYS 49 -20.689 19.487 -3.141 1091 HD3 LYS 49 1HD LYS 49 -18.929 19.517 -3.032 1092 HE2 LYS 49 2HE LYS 49 -18.652 19.451 -5.353 1093 HE3 LYS 49 1HE LYS 49 -20.244 18.745 -5.623 1094 HZ1 LYS 49 3HZ LYS 49 -19.790 21.494 -4.605 1095 HZ2 LYS 49 1HZ LYS 49 -21.274 20.807 -5.052 1096 HZ3 LYS 49 2HZ LYS 49 -20.093 21.118 -6.234 1097 H ASP 50 H ASP 50 -18.151 14.834 -6.046 1098 HA ASP 50 HA ASP 50 -20.935 14.481 -6.574 1099 HB2 ASP 50 2HB ASP 50 -18.513 13.602 -8.153 1100 HB3 ASP 50 1HB ASP 50 -20.185 13.488 -8.711 1101 H VAL 51 H VAL 51 -22.156 12.665 -6.782 1102 HA VAL 51 HA VAL 51 -21.384 10.359 -5.247 1103 HB VAL 51 HB VAL 51 -23.552 9.480 -5.753 1104 HG11 VAL 51 1HG1 VAL 51 -23.237 11.806 -4.466 1105 HG12 VAL 51 2HG1 VAL 51 -24.831 11.106 -4.745 1106 HG13 VAL 51 3HG1 VAL 51 -24.235 12.388 -5.799 1107 HG21 VAL 51 3HG2 VAL 51 -25.016 10.534 -7.484 1108 HG22 VAL 51 1HG2 VAL 51 -23.577 9.789 -8.178 1109 HG23 VAL 51 2HG2 VAL 51 -23.661 11.540 -7.985 1110 H ASP 52 H ASP 52 -21.402 11.329 -8.554 1111 HA ASP 52 HA ASP 52 -21.068 8.855 -9.864 1112 HB2 ASP 52 2HB ASP 52 -20.154 11.647 -10.594 1113 HB3 ASP 52 1HB ASP 52 -20.047 10.259 -11.677 1114 H ALA 53 H ALA 53 -18.968 10.881 -8.031 1115 HA ALA 53 HA ALA 53 -16.456 10.279 -8.967 1116 HB1 ALA 53 1HB ALA 53 -17.067 11.843 -7.092 1117 HB2 ALA 53 2HB ALA 53 -15.628 10.859 -6.812 1118 HB3 ALA 53 3HB ALA 53 -17.154 10.431 -6.039 1119 H VAL 54 H VAL 54 -18.490 8.274 -6.805 1120 HA VAL 54 HA VAL 54 -16.491 6.392 -6.154 1121 HB VAL 54 HB VAL 54 -18.788 6.518 -5.109 1122 HG11 VAL 54 1HG1 VAL 54 -19.864 6.616 -7.478 1123 HG12 VAL 54 2HG1 VAL 54 -20.676 5.665 -6.238 1124 HG13 VAL 54 3HG1 VAL 54 -19.692 4.863 -7.461 1125 HG21 VAL 54 3HG2 VAL 54 -17.487 4.580 -4.616 1126 HG22 VAL 54 1HG2 VAL 54 -17.717 3.928 -6.239 1127 HG23 VAL 54 2HG2 VAL 54 -19.066 3.969 -5.108 1128 H ASP 55 H ASP 55 -18.794 6.556 -8.849 1129 HA ASP 55 HA ASP 55 -18.074 4.119 -10.073 1130 HB2 ASP 55 2HB ASP 55 -19.186 6.683 -11.203 1131 HB3 ASP 55 1HB ASP 55 -19.037 5.194 -12.134 1132 H LYS 56 H LYS 56 -16.911 7.445 -10.472 1133 HA LYS 56 HA LYS 56 -15.118 6.941 -12.586 1134 HB2 LYS 56 2HB LYS 56 -14.999 9.005 -10.374 1135 HB3 LYS 56 1HB LYS 56 -13.978 9.017 -11.813 1136 HG2 LYS 56 2HG LYS 56 -16.036 9.072 -13.226 1137 HG3 LYS 56 1HG LYS 56 -17.004 9.191 -11.755 1138 HD2 LYS 56 2HD LYS 56 -15.744 11.263 -11.146 1139 HD3 LYS 56 1HD LYS 56 -14.907 11.169 -12.696 1140 HE2 LYS 56 2HE LYS 56 -17.135 11.229 -13.842 1141 HE3 LYS 56 1HE LYS 56 -17.890 11.491 -12.269 1142 HZ1 LYS 56 3HZ LYS 56 -15.836 13.315 -12.424 1143 HZ2 LYS 56 1HZ LYS 56 -17.496 13.638 -12.558 1144 HZ3 LYS 56 2HZ LYS 56 -16.571 13.353 -13.955 1145 H VAL 57 H VAL 57 -14.765 6.723 -9.080 1146 HA VAL 57 HA VAL 57 -11.978 6.250 -9.068 1147 HB VAL 57 HB VAL 57 -14.140 5.528 -7.084 1148 HG11 VAL 57 1HG1 VAL 57 -12.397 4.028 -6.562 1149 HG12 VAL 57 2HG1 VAL 57 -12.055 5.421 -5.536 1150 HG13 VAL 57 3HG1 VAL 57 -11.145 5.180 -7.028 1151 HG21 VAL 57 3HG2 VAL 57 -13.580 7.532 -6.002 1152 HG22 VAL 57 1HG2 VAL 57 -13.438 7.984 -7.701 1153 HG23 VAL 57 2HG2 VAL 57 -11.992 7.611 -6.764 1154 H MET 58 H MET 58 -14.758 3.986 -9.055 1155 HA MET 58 HA MET 58 -13.037 1.719 -8.935 1156 HB2 MET 58 2HB MET 58 -14.893 0.422 -8.776 1157 HB3 MET 58 1HB MET 58 -15.565 1.964 -8.286 1158 HG2 MET 58 2HG MET 58 -17.141 1.600 -9.871 1159 HG3 MET 58 1HG MET 58 -15.909 1.982 -11.055 1160 HE1 MET 58 3HE MET 58 -17.267 -0.342 -8.688 1161 HE2 MET 58 1HE MET 58 -16.599 -1.935 -9.063 1162 HE3 MET 58 2HE MET 58 -18.117 -1.417 -9.791 1163 H LYS 59 H LYS 59 -14.416 3.419 -11.740 1164 HA LYS 59 HA LYS 59 -13.996 1.370 -13.619 1165 HB2 LYS 59 2HB LYS 59 -13.911 4.339 -14.026 1166 HB3 LYS 59 1HB LYS 59 -13.921 3.136 -15.316 1167 HG2 LYS 59 2HG LYS 59 -16.033 2.312 -13.669 1168 HG3 LYS 59 1HG LYS 59 -16.135 4.070 -13.619 1169 HD2 LYS 59 2HD LYS 59 -15.911 2.436 -16.121 1170 HD3 LYS 59 1HD LYS 59 -17.433 3.083 -15.494 1171 HE2 LYS 59 2HE LYS 59 -16.142 5.376 -15.513 1172 HE3 LYS 59 1HE LYS 59 -15.092 4.563 -16.673 1173 HZ1 LYS 59 3HZ LYS 59 -18.021 4.493 -16.995 1174 HZ2 LYS 59 1HZ LYS 59 -16.815 4.283 -18.169 1175 HZ3 LYS 59 2HZ LYS 59 -17.127 5.831 -17.539 1176 H GLU 60 H GLU 60 -11.691 3.874 -12.491 1177 HA GLU 60 HA GLU 60 -9.699 3.075 -14.389 1178 HB2 GLU 60 2HB GLU 60 -8.230 4.579 -13.281 1179 HB3 GLU 60 1HB GLU 60 -9.825 5.325 -13.212 1180 HG2 GLU 60 2HG GLU 60 -10.118 4.371 -10.922 1181 HG3 GLU 60 1HG GLU 60 -8.463 3.773 -10.992 1182 H LEU 61 H LEU 61 -10.452 2.205 -11.071 1183 HA LEU 61 HA LEU 61 -8.112 0.675 -10.591 1184 HB2 LEU 61 2HB LEU 61 -10.838 0.485 -9.312 1185 HB3 LEU 61 1HB LEU 61 -9.380 -0.278 -8.700 1186 HG LEU 61 HG LEU 61 -9.771 2.704 -9.040 1187 HD11 LEU 61 1HD1 LEU 61 -10.237 2.812 -6.757 1188 HD12 LEU 61 2HD1 LEU 61 -9.406 1.294 -6.413 1189 HD13 LEU 61 3HD1 LEU 61 -11.001 1.278 -7.163 1190 HD21 LEU 61 3HD2 LEU 61 -7.659 2.538 -7.447 1191 HD22 LEU 61 1HD2 LEU 61 -7.452 2.461 -9.185 1192 HD23 LEU 61 2HD2 LEU 61 -7.449 0.979 -8.219 1193 H ASP 62 H ASP 62 -11.237 -0.145 -12.010 1194 HA ASP 62 HA ASP 62 -10.691 -2.955 -11.845 1195 HB2 ASP 62 2HB ASP 62 -12.989 -2.010 -12.003 1196 HB3 ASP 62 1HB ASP 62 -12.642 -1.556 -13.673 1197 H GLU 63 H GLU 63 -8.733 -3.365 -12.751 1198 HA GLU 63 HA GLU 63 -7.829 -2.544 -15.311 1199 HB2 GLU 63 2HB GLU 63 -6.322 -3.440 -13.640 1200 HB3 GLU 63 1HB GLU 63 -7.243 -4.946 -13.570 1201 HG2 GLU 63 2HG GLU 63 -6.703 -5.416 -15.896 1202 HG3 GLU 63 1HG GLU 63 -5.752 -3.914 -16.003 1203 H ASN 64 H ASN 64 -9.375 -5.366 -14.096 1204 HA ASN 64 HA ASN 64 -9.481 -6.993 -16.329 1205 HB2 ASN 64 2HB ASN 64 -11.235 -6.619 -13.967 1206 HB3 ASN 64 1HB ASN 64 -11.338 -8.036 -15.008 1207 HD21 ASN 64 1HD2 ASN 64 -8.624 -8.629 -15.388 1208 HD22 ASN 64 2HD2 ASN 64 -7.885 -8.939 -13.891 1209 H GLY 65 H GLY 65 -11.621 -4.374 -15.308 1210 HA2 GLY 65 2HA GLY 65 -13.210 -3.220 -16.590 1211 HA3 GLY 65 1HA GLY 65 -12.931 -4.361 -17.913 1212 H ASP 66 H ASP 66 -13.304 -5.668 -14.817 1213 HA ASP 66 HA ASP 66 -15.730 -7.074 -15.517 1214 HB2 ASP 66 2HB ASP 66 -15.210 -8.331 -13.466 1215 HB3 ASP 66 1HB ASP 66 -13.784 -8.198 -14.499 1216 H GLY 67 H GLY 67 -15.322 -4.067 -14.332 1217 HA2 GLY 67 2HA GLY 67 -16.689 -2.620 -13.170 1218 HA3 GLY 67 1HA GLY 67 -17.942 -3.855 -13.282 1219 H GLU 68 H GLU 68 -15.421 -5.406 -11.983 1220 HA GLU 68 HA GLU 68 -16.254 -4.865 -9.182 1221 HB2 GLU 68 2HB GLU 68 -16.799 -7.122 -10.277 1222 HB3 GLU 68 1HB GLU 68 -15.066 -7.423 -10.259 1223 HG2 GLU 68 2HG GLU 68 -15.962 -8.407 -8.268 1224 HG3 GLU 68 1HG GLU 68 -15.127 -6.943 -7.757 1225 H VAL 69 H VAL 69 -14.653 -4.495 -7.687 1226 HA VAL 69 HA VAL 69 -11.936 -4.126 -8.772 1227 HB VAL 69 HB VAL 69 -13.179 -3.066 -6.222 1228 HG11 VAL 69 1HG1 VAL 69 -10.694 -3.295 -6.195 1229 HG12 VAL 69 2HG1 VAL 69 -11.245 -1.626 -6.071 1230 HG13 VAL 69 3HG1 VAL 69 -10.631 -2.237 -7.606 1231 HG21 VAL 69 3HG2 VAL 69 -14.024 -2.276 -8.562 1232 HG22 VAL 69 1HG2 VAL 69 -12.502 -1.384 -8.591 1233 HG23 VAL 69 2HG2 VAL 69 -13.676 -1.094 -7.304 1234 H ASP 70 H ASP 70 -10.260 -5.392 -8.055 1235 HA ASP 70 HA ASP 70 -10.957 -7.406 -6.014 1236 HB2 ASP 70 2HB ASP 70 -9.214 -8.783 -6.897 1237 HB3 ASP 70 1HB ASP 70 -10.157 -8.181 -8.257 1238 H PHE 71 H PHE 71 -9.015 -8.182 -4.727 1239 HA PHE 71 HA PHE 71 -8.286 -6.268 -2.856 1240 HB2 PHE 71 2HB PHE 71 -8.223 -8.849 -2.818 1241 HB3 PHE 71 1HB PHE 71 -6.634 -8.697 -3.543 1242 HD1 PHE 71 1HD PHE 71 -6.424 -5.893 -1.643 1243 HD2 PHE 71 2HD PHE 71 -6.944 -10.115 -1.073 1244 HE1 PHE 71 1HE PHE 71 -5.425 -5.708 0.606 1245 HE2 PHE 71 2HE PHE 71 -5.958 -9.912 1.180 1246 HZ PHE 71 HZ PHE 71 -5.202 -7.717 2.010 1247 H GLN 72 H GLN 72 -6.340 -7.481 -5.638 1248 HA GLN 72 HA GLN 72 -4.007 -5.984 -5.031 1249 HB2 GLN 72 2HB GLN 72 -5.066 -6.981 -7.690 1250 HB3 GLN 72 1HB GLN 72 -3.450 -6.318 -7.445 1251 HG2 GLN 72 2HG GLN 72 -2.966 -8.060 -5.793 1252 HG3 GLN 72 1HG GLN 72 -4.580 -8.718 -5.968 1253 HE21 GLN 72 1HE2 GLN 72 -2.357 -10.351 -6.459 1254 HE22 GLN 72 2HE2 GLN 72 -2.266 -10.685 -8.117 1255 H GLU 73 H GLU 73 -6.853 -5.151 -7.015 1256 HA GLU 73 HA GLU 73 -5.875 -2.686 -7.992 1257 HB2 GLU 73 2HB GLU 73 -8.666 -3.698 -7.495 1258 HB3 GLU 73 1HB GLU 73 -8.316 -2.203 -8.347 1259 HG2 GLU 73 2HG GLU 73 -7.032 -3.490 -10.035 1260 HG3 GLU 73 1HG GLU 73 -7.431 -4.980 -9.195 1261 H TYR 74 H TYR 74 -7.756 -3.595 -5.159 1262 HA TYR 74 HA TYR 74 -8.231 -1.021 -4.085 1263 HB2 TYR 74 2HB TYR 74 -9.432 -3.076 -3.424 1264 HB3 TYR 74 1HB TYR 74 -7.957 -3.689 -2.677 1265 HD1 TYR 74 1HD TYR 74 -10.632 -1.158 -2.471 1266 HD2 TYR 74 2HD TYR 74 -7.128 -2.777 -0.590 1267 HE1 TYR 74 1HE TYR 74 -11.186 0.059 -0.384 1268 HE2 TYR 74 2HE TYR 74 -7.680 -1.553 1.494 1269 HH TYR 74 HH TYR 74 -9.881 0.939 1.628 1270 H VAL 75 H VAL 75 -5.712 -3.390 -3.691 1271 HA VAL 75 HA VAL 75 -4.278 -2.169 -1.611 1272 HB VAL 75 HB VAL 75 -3.989 -4.544 -3.146 1273 HG11 VAL 75 1HG1 VAL 75 -1.536 -4.579 -3.584 1274 HG12 VAL 75 2HG1 VAL 75 -1.518 -2.838 -3.394 1275 HG13 VAL 75 3HG1 VAL 75 -2.441 -3.562 -4.696 1276 HG21 VAL 75 3HG2 VAL 75 -2.433 -3.377 -0.840 1277 HG22 VAL 75 1HG2 VAL 75 -2.112 -4.987 -1.479 1278 HG23 VAL 75 2HG2 VAL 75 -3.698 -4.611 -0.802 1279 H VAL 76 H VAL 76 -3.871 -1.890 -5.171 1280 HA VAL 76 HA VAL 76 -1.745 -0.002 -4.820 1281 HB VAL 76 HB VAL 76 -1.943 0.524 -7.167 1282 HG11 VAL 76 1HG1 VAL 76 -2.557 -2.423 -6.949 1283 HG12 VAL 76 2HG1 VAL 76 -1.055 -1.754 -6.309 1284 HG13 VAL 76 3HG1 VAL 76 -1.423 -1.612 -8.029 1285 HG21 VAL 76 3HG2 VAL 76 -4.431 -1.170 -7.224 1286 HG22 VAL 76 1HG2 VAL 76 -3.755 -0.241 -8.548 1287 HG23 VAL 76 2HG2 VAL 76 -4.480 0.584 -7.170 1288 H LEU 77 H LEU 77 -5.302 0.279 -4.984 1289 HA LEU 77 HA LEU 77 -5.430 3.068 -5.301 1290 HB2 LEU 77 2HB LEU 77 -7.469 1.794 -5.317 1291 HB3 LEU 77 1HB LEU 77 -7.192 1.218 -3.687 1292 HG LEU 77 HG LEU 77 -7.399 3.567 -2.848 1293 HD11 LEU 77 1HD1 LEU 77 -8.410 5.263 -4.337 1294 HD12 LEU 77 2HD1 LEU 77 -8.206 4.179 -5.700 1295 HD13 LEU 77 3HD1 LEU 77 -6.797 4.811 -4.865 1296 HD21 LEU 77 3HD2 LEU 77 -9.615 2.201 -4.326 1297 HD22 LEU 77 1HD2 LEU 77 -9.910 3.735 -3.505 1298 HD23 LEU 77 2HD2 LEU 77 -9.343 2.338 -2.587 1299 H VAL 78 H VAL 78 -5.254 1.235 -2.205 1300 HA VAL 78 HA VAL 78 -5.107 3.670 -0.713 1301 HB VAL 78 HB VAL 78 -4.471 2.334 1.236 1302 HG11 VAL 78 1HG1 VAL 78 -6.739 2.335 1.173 1303 HG12 VAL 78 2HG1 VAL 78 -6.518 0.612 0.861 1304 HG13 VAL 78 3HG1 VAL 78 -6.816 1.722 -0.483 1305 HG21 VAL 78 3HG2 VAL 78 -4.565 -0.108 -0.563 1306 HG22 VAL 78 1HG2 VAL 78 -4.152 -0.039 1.145 1307 HG23 VAL 78 2HG2 VAL 78 -3.063 0.658 -0.046 1308 H ALA 79 H ALA 79 -2.624 1.544 -2.073 1309 HA ALA 79 HA ALA 79 -0.481 2.803 -0.631 1310 HB1 ALA 79 1HB ALA 79 0.063 1.659 -3.321 1311 HB2 ALA 79 2HB ALA 79 -0.609 0.583 -2.105 1312 HB3 ALA 79 3HB ALA 79 0.901 1.418 -1.786 1313 H ALA 80 H ALA 80 -1.740 3.286 -3.922 1314 HA ALA 80 HA ALA 80 0.054 5.342 -4.644 1315 HB1 ALA 80 1HB ALA 80 -2.720 4.633 -5.625 1316 HB2 ALA 80 2HB ALA 80 -1.171 4.232 -6.373 1317 HB3 ALA 80 3HB ALA 80 -1.734 5.905 -6.351 1318 H LEU 81 H LEU 81 -3.141 5.334 -3.053 1319 HA LEU 81 HA LEU 81 -3.314 8.185 -2.950 1320 HB2 LEU 81 2HB LEU 81 -4.756 5.939 -1.642 1321 HB3 LEU 81 1HB LEU 81 -4.829 7.516 -0.855 1322 HG LEU 81 HG LEU 81 -5.807 8.553 -2.774 1323 HD11 LEU 81 1HD1 LEU 81 -4.857 6.122 -4.245 1324 HD12 LEU 81 2HD1 LEU 81 -4.728 7.818 -4.689 1325 HD13 LEU 81 3HD1 LEU 81 -6.266 6.987 -4.844 1326 HD21 LEU 81 3HD2 LEU 81 -7.856 7.272 -3.140 1327 HD22 LEU 81 1HD2 LEU 81 -7.375 7.139 -1.450 1328 HD23 LEU 81 2HD2 LEU 81 -7.079 5.802 -2.563 1329 H THR 82 H THR 82 -1.761 5.761 -0.879 1330 HA THR 82 HA THR 82 -1.280 7.490 1.317 1331 HB THR 82 HB THR 82 0.475 5.227 0.338 1332 HG1 THR 82 1HG THR 82 -1.099 3.996 0.906 1333 HG21 THR 82 3HG2 THR 82 0.583 5.151 3.026 1334 HG22 THR 82 1HG2 THR 82 0.329 6.880 2.807 1335 HG23 THR 82 2HG2 THR 82 1.716 6.090 2.058 1336 H VAL 83 H VAL 83 0.813 6.672 -1.479 1337 HA VAL 83 HA VAL 83 2.846 8.526 -0.706 1338 HB VAL 83 HB VAL 83 3.338 6.726 -2.326 1339 HG11 VAL 83 1HG1 VAL 83 1.152 7.048 -3.618 1340 HG12 VAL 83 2HG1 VAL 83 2.583 6.775 -4.572 1341 HG13 VAL 83 3HG1 VAL 83 1.933 8.405 -4.409 1342 HG21 VAL 83 3HG2 VAL 83 4.509 9.077 -2.177 1343 HG22 VAL 83 1HG2 VAL 83 3.791 9.321 -3.771 1344 HG23 VAL 83 2HG2 VAL 83 4.912 7.985 -3.501 1345 H ALA 84 H ALA 84 -0.029 8.852 -2.716 1346 HA ALA 84 HA ALA 84 0.528 11.470 -3.658 1347 HB1 ALA 84 1HB ALA 84 -2.200 10.263 -3.195 1348 HB2 ALA 84 2HB ALA 84 -1.190 9.872 -4.587 1349 HB3 ALA 84 3HB ALA 84 -1.759 11.524 -4.347 1350 H CYS 85 H CHC 85 -0.799 10.168 -0.716 1351 HA CYS 85 HA CHC 85 -1.951 12.573 0.277 1352 HB2 CYS 85 2HB CHC 85 -2.409 10.187 1.077 1353 HB3 CYS 85 1HB CHC 85 -0.881 10.298 1.951 1354 H ASN 86 H ASN 86 1.119 10.858 1.041 1355 HA ASN 86 HA ASN 86 2.120 12.893 2.716 1356 HB2 ASN 86 2HB ASN 86 3.183 10.636 2.393 1357 HB3 ASN 86 1HB ASN 86 3.780 11.202 0.832 1358 HD21 ASN 86 1HD2 ASN 86 3.855 12.071 4.329 1359 HD22 ASN 86 2HD2 ASN 86 5.388 12.797 4.262 1360 H ASN 87 H ASN 87 2.222 12.466 -0.800 1361 HA ASN 87 HA ASN 87 3.821 14.714 -1.437 1362 HB2 ASN 87 2HB ASN 87 1.579 13.391 -2.985 1363 HB3 ASN 87 1HB ASN 87 2.691 14.582 -3.655 1364 HD21 ASN 87 1HD2 ASN 87 2.564 11.925 -4.709 1365 HD22 ASN 87 2HD2 ASN 87 4.024 11.137 -4.347 1366 H PHE 88 H PHE 88 0.373 14.346 -0.794 1367 HA PHE 88 HA PHE 88 -0.417 16.938 -1.581 1368 HB2 PHE 88 2HB PHE 88 -1.986 15.057 -1.159 1369 HB3 PHE 88 1HB PHE 88 -1.651 15.201 0.566 1370 HD1 PHE 88 1HD PHE 88 -3.109 16.912 -2.377 1371 HD2 PHE 88 2HD PHE 88 -2.558 17.001 1.882 1372 HE1 PHE 88 1HE PHE 88 -4.793 18.725 -2.197 1373 HE2 PHE 88 2HE PHE 88 -4.241 18.813 2.063 1374 HZ PHE 88 HZ PHE 88 -5.358 19.674 0.024 1375 H PHE 89 H PHE 89 0.543 15.646 1.611 1376 HA PHE 89 HA PHE 89 0.159 18.095 2.994 1377 HB2 PHE 89 2HB PHE 89 0.337 15.884 4.100 1378 HB3 PHE 89 1HB PHE 89 2.052 15.843 3.692 1379 HD1 PHE 89 2HD PHE 89 -0.541 17.609 5.664 1380 HD2 PHE 89 1HD PHE 89 3.660 17.191 4.876 1381 HE1 PHE 89 2HE PHE 89 -0.029 18.965 7.676 1382 HE2 PHE 89 1HE PHE 89 4.174 18.546 6.888 1383 HZ PHE 89 HZ PHE 89 2.328 19.434 8.288 1384 H TRP 90 H TRP 90 3.167 16.590 1.779 1385 HA TRP 90 HA TRP 90 4.879 18.724 2.490 1386 HB2 TRP 90 2HB TRP 90 5.701 16.474 1.964 1387 HB3 TRP 90 1HB TRP 90 5.228 16.711 0.276 1388 HD1 TRP 90 HD TRP 90 6.357 18.802 -0.985 1389 HE1 TRP 90 1HE TRP 90 8.730 19.780 -0.786 1390 HE3 TRP 90 3HE TRP 90 7.682 16.875 3.532 1391 HZ2 TRP 90 2HZ TRP 90 10.917 19.740 1.074 1392 HZ3 TRP 90 3HZ TRP 90 9.913 17.356 4.504 1393 HH2 TRP 90 HH TRP 90 11.529 18.785 3.282 1394 H GLU 91 H GLU 91 3.096 18.031 -0.429 1395 HA GLU 91 HA GLU 91 4.134 20.462 -1.697 1396 HB2 GLU 91 2HB GLU 91 3.861 17.947 -2.630 1397 HB3 GLU 91 1HB GLU 91 2.309 18.603 -3.134 1398 HG2 GLU 91 2HG GLU 91 4.980 19.925 -3.725 1399 HG3 GLU 91 1HG GLU 91 4.136 18.863 -4.852 1400 H ASN 92 H ASN 92 2.820 22.138 -2.366 1401 HA ASN 92 HA ASN 92 1.031 23.579 -2.307 1402 HB2 ASN 92 2HB ASN 92 0.008 21.763 -3.702 1403 HB3 ASN 92 1HB ASN 92 -0.658 21.070 -2.225 1404 HD21 ASN 92 1HD2 ASN 92 -0.631 24.142 -4.106 1405 HD22 ASN 92 2HD2 ASN 92 -2.187 24.619 -3.623 1406 H SER 93 H SER 93 2.247 23.138 0.122 1407 HA SER 93 HA SER 93 -0.034 23.440 1.965 1408 HB2 SER 93 2HB SER 93 0.756 21.156 2.286 1409 HB3 SER 93 1HB SER 93 2.412 21.727 2.465 1410 HG SER 93 HG SER 93 0.208 22.426 4.120 1411 H1 HCS 201 1HT CHC 85 -0.401 -13.716 8.216 1412 H2 HCS 201 2HT CHC 85 -0.947 -12.969 9.641 1413 H HCS 201 3HT CHC 85 -0.037 -14.402 9.724 1414 HCA HCS 201 HH CHC 85 1.893 -13.273 8.830 1415 HB2 HCS 201 1HZ CHC 85 1.857 -11.003 8.215 1416 HB3 HCS 201 2HZ CHC 85 0.366 -10.690 9.104 1417 HG2 HCS 201 1HE CHC 85 -0.972 -11.664 7.456 1418 HG3 HCS 201 2HE CHC 85 0.346 -12.656 6.832 1419 H1 HCS 201 1HT CHC 85 -1.455 14.503 6.583 1420 H2 HCS 201 2HT CHC 85 -1.286 13.917 8.169 1421 H HCS 201 3HT CHC 85 -2.170 15.337 7.875 1422 HCA HCS 201 HH CHC 85 -3.835 14.096 6.655 1423 HB2 HCS 201 1HZ CHC 85 -3.678 11.775 6.309 1424 HB3 HCS 201 2HZ CHC 85 -2.456 11.578 7.566 1425 HG2 HCS 201 1HE CHC 85 -0.742 12.390 6.206 1426 HG3 HCS 201 2HE CHC 85 -1.850 13.294 5.176 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.549 10.595 12.768 2 HA2 GLY 1 2HA GLY 1 -8.521 9.556 12.156 3 HA3 GLY 1 1HA GLY 1 -8.277 9.093 13.838 4 H SER 2 H SER 2 -8.389 7.628 11.117 5 HA SER 2 HA SER 2 -10.185 5.450 12.020 6 HB2 SER 2 2HB SER 2 -10.689 4.963 9.709 7 HB3 SER 2 1HB SER 2 -11.027 6.660 10.004 8 HG SER 2 HG SER 2 -8.797 7.000 9.227 9 H GLU 3 H GLU 3 -9.469 3.290 11.496 10 HA GLU 3 HA GLU 3 -6.742 2.848 12.009 11 HB2 GLU 3 2HB GLU 3 -8.850 1.012 10.875 12 HB3 GLU 3 1HB GLU 3 -7.252 0.478 11.388 13 HG2 GLU 3 2HG GLU 3 -7.693 1.385 13.646 14 HG3 GLU 3 1HG GLU 3 -9.313 1.853 13.131 15 H LEU 4 H LEU 4 -8.509 2.844 8.901 16 HA LEU 4 HA LEU 4 -6.393 1.739 7.386 17 HB2 LEU 4 2HB LEU 4 -8.878 2.311 6.757 18 HB3 LEU 4 1HB LEU 4 -8.197 3.870 6.288 19 HG LEU 4 HG LEU 4 -7.380 1.138 5.249 20 HD11 LEU 4 1HD1 LEU 4 -8.422 1.672 3.242 21 HD12 LEU 4 2HD1 LEU 4 -8.408 3.403 3.567 22 HD13 LEU 4 3HD1 LEU 4 -9.535 2.352 4.427 23 HD21 LEU 4 3HD2 LEU 4 -5.374 2.298 5.208 24 HD22 LEU 4 1HD2 LEU 4 -6.149 3.853 4.888 25 HD23 LEU 4 2HD2 LEU 4 -6.036 2.643 3.612 26 H GLU 5 H GLU 5 -7.202 5.076 8.320 27 HA GLU 5 HA GLU 5 -5.075 6.322 6.908 28 HB2 GLU 5 2HB GLU 5 -6.629 7.213 9.343 29 HB3 GLU 5 1HB GLU 5 -5.434 8.217 8.524 30 HG2 GLU 5 2HG GLU 5 -6.729 8.009 6.426 31 HG3 GLU 5 1HG GLU 5 -7.942 7.064 7.280 32 H THR 6 H THR 6 -5.344 4.923 10.155 33 HA THR 6 HA THR 6 -2.889 5.875 11.155 34 HB THR 6 HB THR 6 -4.193 3.204 11.745 35 HG1 THR 6 1HG THR 6 -5.114 5.634 12.100 36 HG21 THR 6 3HG2 THR 6 -1.834 3.554 12.538 37 HG22 THR 6 1HG2 THR 6 -2.998 3.335 13.845 38 HG23 THR 6 2HG2 THR 6 -2.404 4.949 13.456 39 H ALA 7 H ALA 7 -3.743 3.013 9.265 40 HA ALA 7 HA ALA 7 -1.141 1.867 9.228 41 HB1 ALA 7 1HB ALA 7 -1.973 0.388 7.636 42 HB2 ALA 7 2HB ALA 7 -3.011 1.605 6.897 43 HB3 ALA 7 3HB ALA 7 -3.452 0.894 8.447 44 H MET 8 H MET 8 -2.828 4.072 7.018 45 HA MET 8 HA MET 8 -0.792 4.284 5.065 46 HB2 MET 8 2HB MET 8 -2.956 6.201 5.976 47 HB3 MET 8 1HB MET 8 -1.957 6.466 4.545 48 HG2 MET 8 2HG MET 8 -2.731 4.377 3.557 49 HG3 MET 8 1HG MET 8 -3.639 3.985 4.999 50 HE1 MET 8 3HE MET 8 -4.578 7.098 1.797 51 HE2 MET 8 1HE MET 8 -3.237 5.950 1.865 52 HE3 MET 8 2HE MET 8 -3.237 7.383 2.895 53 H GLU 9 H GLU 9 -1.371 6.090 8.067 54 HA GLU 9 HA GLU 9 0.752 7.937 7.709 55 HB2 GLU 9 2HB GLU 9 -0.616 6.954 10.221 56 HB3 GLU 9 1HB GLU 9 0.586 8.243 10.194 57 HG2 GLU 9 2HG GLU 9 -0.830 9.514 8.607 58 HG3 GLU 9 1HG GLU 9 -2.045 8.246 8.688 59 H THR 10 H THR 10 0.535 4.667 9.081 60 HA THR 10 HA THR 10 3.149 4.664 10.186 61 HB THR 10 HB THR 10 1.586 2.334 9.088 62 HG1 THR 10 1HG THR 10 1.683 2.728 11.784 63 HG21 THR 10 3HG2 THR 10 4.020 1.928 9.495 64 HG22 THR 10 1HG2 THR 10 2.984 0.993 10.578 65 HG23 THR 10 2HG2 THR 10 3.788 2.447 11.168 66 H LEU 11 H LEU 11 1.876 3.788 6.957 67 HA LEU 11 HA LEU 11 4.304 2.796 5.915 68 HB2 LEU 11 2HB LEU 11 2.240 4.403 4.384 69 HB3 LEU 11 1HB LEU 11 3.415 3.284 3.703 70 HG LEU 11 HG LEU 11 1.046 2.609 5.454 71 HD11 LEU 11 1HD1 LEU 11 1.794 2.000 2.596 72 HD12 LEU 11 2HD1 LEU 11 0.417 2.941 3.170 73 HD13 LEU 11 3HD1 LEU 11 0.471 1.199 3.444 74 HD21 LEU 11 3HD2 LEU 11 3.418 0.947 4.635 75 HD22 LEU 11 1HD2 LEU 11 1.842 0.202 4.897 76 HD23 LEU 11 2HD2 LEU 11 2.630 1.062 6.218 77 H ILE 12 H ILE 12 2.902 6.023 6.099 78 HA ILE 12 HA ILE 12 4.990 7.386 4.754 79 HB ILE 12 HB ILE 12 3.057 8.372 6.855 80 HG12 ILE 12 2HG1 ILE 12 3.038 8.705 3.845 81 HG13 ILE 12 1HG1 ILE 12 2.120 7.470 4.675 82 HG21 ILE 12 1HG2 ILE 12 3.628 10.621 5.864 83 HG22 ILE 12 2HG2 ILE 12 4.971 9.840 5.026 84 HG23 ILE 12 3HG2 ILE 12 4.932 9.878 6.791 85 HD11 ILE 12 3HD1 ILE 12 1.857 10.364 5.463 86 HD12 ILE 12 1HD1 ILE 12 0.710 9.046 5.710 87 HD13 ILE 12 2HD1 ILE 12 0.943 9.720 4.095 88 H ASN 13 H ASN 13 4.510 6.723 8.212 89 HA ASN 13 HA ASN 13 6.712 8.179 9.153 90 HB2 ASN 13 2HB ASN 13 5.357 5.730 10.273 91 HB3 ASN 13 1HB ASN 13 6.535 6.702 11.154 92 HD21 ASN 13 1HD2 ASN 13 3.843 6.448 12.088 93 HD22 ASN 13 2HD2 ASN 13 3.080 7.957 11.938 94 H VAL 14 H VAL 14 6.527 4.761 8.082 95 HA VAL 14 HA VAL 14 9.262 4.322 8.819 96 HB VAL 14 HB VAL 14 9.115 2.160 7.730 97 HG11 VAL 14 1HG1 VAL 14 6.425 2.579 9.022 98 HG12 VAL 14 2HG1 VAL 14 7.905 2.752 9.964 99 HG13 VAL 14 3HG1 VAL 14 7.531 1.214 9.184 100 HG21 VAL 14 3HG2 VAL 14 6.349 2.935 6.812 101 HG22 VAL 14 1HG2 VAL 14 7.221 1.456 6.444 102 HG23 VAL 14 2HG2 VAL 14 7.754 2.986 5.750 103 H PHE 15 H PHE 15 7.599 5.265 5.814 104 HA PHE 15 HA PHE 15 9.868 5.064 4.162 105 HB2 PHE 15 2HB PHE 15 7.668 5.409 3.169 106 HB3 PHE 15 1HB PHE 15 7.590 7.022 3.893 107 HD1 PHE 15 1HD PHE 15 9.726 4.902 1.643 108 HD2 PHE 15 2HD PHE 15 8.534 8.861 2.808 109 HE1 PHE 15 1HE PHE 15 11.103 5.859 -0.191 110 HE2 PHE 15 2HE PHE 15 9.875 9.809 0.961 111 HZ PHE 15 HZ PHE 15 11.164 8.313 -0.540 112 H HIS 16 H HIS 16 8.675 7.628 6.213 113 HA HIS 16 HA HIS 16 10.757 9.434 5.547 114 HB2 HIS 16 2HB HIS 16 8.627 10.217 6.548 115 HB3 HIS 16 1HB HIS 16 9.033 9.354 8.033 116 HD1 HIS 16 1HD HIS 16 10.700 11.962 5.782 117 HD2 HIS 16 2HD HIS 16 10.366 10.967 9.817 118 HE1 HIS 16 1HE HIS 16 11.971 13.736 7.067 119 HE2 HIS 16 2HE HIS 16 11.777 13.143 9.527 120 H ALA 17 H ALA 17 10.365 6.896 7.905 121 HA ALA 17 HA ALA 17 12.526 7.582 9.528 122 HB1 ALA 17 1HB ALA 17 12.497 5.344 10.320 123 HB2 ALA 17 2HB ALA 17 11.813 4.728 8.811 124 HB3 ALA 17 3HB ALA 17 10.827 5.717 9.902 125 H HIS 18 H HIS 18 12.511 5.404 6.625 126 HA HIS 18 HA HIS 18 15.439 5.354 6.926 127 HB2 HIS 18 2HB HIS 18 15.547 3.876 4.981 128 HB3 HIS 18 1HB HIS 18 14.466 3.285 6.235 129 HD1 HIS 18 1HD HIS 18 13.992 2.190 3.443 130 HD2 HIS 18 2HD HIS 18 12.210 5.597 4.912 131 HE1 HIS 18 1HE HIS 18 11.874 2.543 2.082 132 HE2 HIS 18 2HE HIS 18 10.887 4.726 2.849 133 H SER 19 H SER 19 13.224 6.754 4.375 134 HA SER 19 HA SER 19 15.402 7.723 2.856 135 HB2 SER 19 2HB SER 19 13.082 7.663 1.996 136 HB3 SER 19 1HB SER 19 12.669 8.986 3.072 137 HG SER 19 HG SER 19 14.922 9.523 1.627 138 H GLY 20 H GLY 20 13.615 9.089 5.586 139 HA2 GLY 20 2HA GLY 20 14.992 11.605 5.620 140 HA3 GLY 20 1HA GLY 20 13.949 10.981 6.868 141 H LYS 21 H LYS 21 15.313 8.603 7.533 142 HA LYS 21 HA LYS 21 17.271 9.571 9.308 143 HB2 LYS 21 2HB LYS 21 16.105 7.467 9.622 144 HB3 LYS 21 1HB LYS 21 16.916 6.772 8.219 145 HG2 LYS 21 2HG LYS 21 19.084 7.131 9.415 146 HG3 LYS 21 1HG LYS 21 18.175 7.718 10.804 147 HD2 LYS 21 2HD LYS 21 18.610 5.360 11.139 148 HD3 LYS 21 1HD LYS 21 16.898 5.561 10.813 149 HE2 LYS 21 2HE LYS 21 18.522 5.172 8.379 150 HE3 LYS 21 1HE LYS 21 18.563 3.799 9.488 151 HZ1 LYS 21 3HZ LYS 21 16.613 4.248 7.712 152 HZ2 LYS 21 1HZ LYS 21 15.948 4.966 9.098 153 HZ3 LYS 21 2HZ LYS 21 16.421 3.334 9.132 154 H GLU 22 H GLU 22 17.662 8.027 6.093 155 HA GLU 22 HA GLU 22 20.398 9.161 6.050 156 HB2 GLU 22 2HB GLU 22 19.630 6.391 5.164 157 HB3 GLU 22 1HB GLU 22 21.180 7.149 4.805 158 HG2 GLU 22 2HG GLU 22 21.557 7.422 7.251 159 HG3 GLU 22 1HG GLU 22 20.050 6.572 7.542 160 H GLY 23 H GLY 23 21.125 9.912 4.057 161 HA2 GLY 23 2HA GLY 23 21.020 10.584 1.851 162 HA3 GLY 23 1HA GLY 23 19.770 9.373 1.603 163 H ASP 24 H ASP 24 18.832 11.045 0.194 164 HA ASP 24 HA ASP 24 17.782 13.460 1.309 165 HB2 ASP 24 2HB ASP 24 17.042 11.933 -1.190 166 HB3 ASP 24 1HB ASP 24 16.392 13.510 -0.771 167 H LYS 25 H LYS 25 15.738 13.877 2.069 168 HA LYS 25 HA LYS 25 14.481 11.869 3.525 169 HB2 LYS 25 2HB LYS 25 13.290 14.494 2.648 170 HB3 LYS 25 1HB LYS 25 12.729 13.483 3.985 171 HG2 LYS 25 2HG LYS 25 15.004 13.744 5.065 172 HG3 LYS 25 1HG LYS 25 15.431 14.898 3.807 173 HD2 LYS 25 2HD LYS 25 13.064 15.170 5.687 174 HD3 LYS 25 1HD LYS 25 14.598 16.018 5.862 175 HE2 LYS 25 2HE LYS 25 12.485 16.358 3.743 176 HE3 LYS 25 1HE LYS 25 13.264 17.590 4.736 177 HZ1 LYS 25 3HZ LYS 25 14.363 17.865 2.772 178 HZ2 LYS 25 1HZ LYS 25 14.260 16.228 2.339 179 HZ3 LYS 25 2HZ LYS 25 15.385 16.726 3.510 180 H TYR 26 H TYR 26 13.810 12.985 0.274 181 HA TYR 26 HA TYR 26 11.458 11.206 0.184 182 HB2 TYR 26 2HB TYR 26 12.262 13.491 -1.611 183 HB3 TYR 26 1HB TYR 26 10.853 12.461 -1.870 184 HD1 TYR 26 2HD TYR 26 9.042 12.370 -0.148 185 HD2 TYR 26 1HD TYR 26 12.241 15.230 0.040 186 HE1 TYR 26 2HE TYR 26 7.726 13.733 1.448 187 HE2 TYR 26 1HE TYR 26 10.923 16.596 1.639 188 HH TYR 26 HH TYR 26 8.026 15.405 3.109 189 H LYS 27 H LYS 27 14.456 10.419 -0.230 190 HA LYS 27 HA LYS 27 13.826 8.890 -2.681 191 HB2 LYS 27 2HB LYS 27 15.235 10.970 -3.244 192 HB3 LYS 27 1HB LYS 27 16.540 10.151 -2.393 193 HG2 LYS 27 2HG LYS 27 16.844 9.538 -4.655 194 HG3 LYS 27 1HG LYS 27 16.059 8.144 -3.911 195 HD2 LYS 27 2HD LYS 27 13.936 8.693 -4.861 196 HD3 LYS 27 1HD LYS 27 14.451 10.314 -5.294 197 HE2 LYS 27 2HE LYS 27 15.298 7.693 -6.538 198 HE3 LYS 27 1HE LYS 27 14.443 9.025 -7.309 199 HZ1 LYS 27 3HZ LYS 27 17.233 9.107 -6.291 200 HZ2 LYS 27 1HZ LYS 27 16.406 10.413 -6.986 201 HZ3 LYS 27 2HZ LYS 27 16.764 9.041 -7.922 202 H LEU 28 H LEU 28 14.637 6.782 -2.676 203 HA LEU 28 HA LEU 28 16.062 6.060 -0.192 204 HB2 LEU 28 2HB LEU 28 13.621 5.398 -0.529 205 HB3 LEU 28 1HB LEU 28 14.200 4.358 -1.775 206 HG LEU 28 HG LEU 28 15.688 3.213 -0.142 207 HD11 LEU 28 1HD1 LEU 28 15.794 4.899 1.684 208 HD12 LEU 28 2HD1 LEU 28 15.119 3.401 2.252 209 HD13 LEU 28 3HD1 LEU 28 14.054 4.763 1.917 210 HD21 LEU 28 3HD2 LEU 28 13.681 2.111 1.003 211 HD22 LEU 28 1HD2 LEU 28 13.668 2.138 -0.759 212 HD23 LEU 28 2HD2 LEU 28 12.688 3.279 0.149 213 H SER 29 H SER 29 17.958 5.006 -0.347 214 HA SER 29 HA SER 29 18.776 4.051 -3.012 215 HB2 SER 29 2HB SER 29 21.040 4.409 -2.329 216 HB3 SER 29 1HB SER 29 20.132 5.854 -1.931 217 HG SER 29 HG SER 29 20.239 3.866 -0.003 218 H LYS 30 H LYS 30 20.273 2.134 -2.980 219 HA LYS 30 HA LYS 30 18.966 -0.121 -2.106 220 HB2 LYS 30 2HB LYS 30 20.841 -0.088 -3.728 221 HB3 LYS 30 1HB LYS 30 21.951 0.176 -2.384 222 HG2 LYS 30 2HG LYS 30 21.115 -1.966 -1.351 223 HG3 LYS 30 1HG LYS 30 20.159 -2.231 -2.806 224 HD2 LYS 30 2HD LYS 30 22.236 -3.435 -3.037 225 HD3 LYS 30 1HD LYS 30 22.275 -2.063 -4.147 226 HE2 LYS 30 2HE LYS 30 23.322 -1.536 -1.394 227 HE3 LYS 30 1HE LYS 30 24.295 -2.614 -2.408 228 HZ1 LYS 30 3HZ LYS 30 24.917 -0.935 -3.700 229 HZ2 LYS 30 1HZ LYS 30 24.304 0.102 -2.506 230 HZ3 LYS 30 2HZ LYS 30 23.337 -0.325 -3.837 231 H LYS 31 H LYS 31 21.719 1.473 -0.530 232 HA LYS 31 HA LYS 31 22.011 -0.375 1.537 233 HB2 LYS 31 2HB LYS 31 23.260 1.367 2.673 234 HB3 LYS 31 1HB LYS 31 23.611 1.458 0.945 235 HG2 LYS 31 2HG LYS 31 21.818 3.198 0.744 236 HG3 LYS 31 1HG LYS 31 21.678 3.191 2.497 237 HD2 LYS 31 2HD LYS 31 24.065 3.659 2.630 238 HD3 LYS 31 1HD LYS 31 24.105 3.932 0.896 239 HE2 LYS 31 2HE LYS 31 22.544 5.765 1.102 240 HE3 LYS 31 1HE LYS 31 22.250 5.391 2.801 241 HZ1 LYS 31 3HZ LYS 31 24.984 5.979 1.892 242 HZ2 LYS 31 1HZ LYS 31 24.294 6.192 3.426 243 HZ3 LYS 31 2HZ LYS 31 23.901 7.260 2.165 244 H GLU 32 H GLU 32 20.161 2.658 1.376 245 HA GLU 32 HA GLU 32 19.175 2.586 4.000 246 HB2 GLU 32 2HB GLU 32 17.815 3.734 1.549 247 HB3 GLU 32 1HB GLU 32 17.420 4.113 3.228 248 HG2 GLU 32 2HG GLU 32 19.761 4.892 3.559 249 HG3 GLU 32 1HG GLU 32 20.059 4.631 1.852 250 H LEU 33 H LEU 33 17.448 1.350 0.992 251 HA LEU 33 HA LEU 33 15.270 0.402 2.553 252 HB2 LEU 33 2HB LEU 33 15.052 -1.473 0.765 253 HB3 LEU 33 1HB LEU 33 14.645 0.149 0.364 254 HG LEU 33 HG LEU 33 17.436 -0.112 -0.193 255 HD11 LEU 33 1HD1 LEU 33 15.711 -2.343 -1.354 256 HD12 LEU 33 2HD1 LEU 33 17.171 -2.530 -0.375 257 HD13 LEU 33 3HD1 LEU 33 17.274 -1.875 -2.004 258 HD21 LEU 33 3HD2 LEU 33 14.925 0.251 -1.859 259 HD22 LEU 33 1HD2 LEU 33 16.513 0.196 -2.608 260 HD23 LEU 33 2HD2 LEU 33 16.134 1.464 -1.446 261 H LYS 34 H LYS 34 18.406 -1.050 1.795 262 HA LYS 34 HA LYS 34 17.834 -3.607 2.730 263 HB2 LYS 34 2HB LYS 34 20.014 -2.917 1.710 264 HB3 LYS 34 1HB LYS 34 20.406 -2.074 3.206 265 HG2 LYS 34 2HG LYS 34 21.468 -4.176 3.428 266 HG3 LYS 34 1HG LYS 34 19.995 -4.335 4.382 267 HD2 LYS 34 2HD LYS 34 18.886 -5.517 2.566 268 HD3 LYS 34 1HD LYS 34 20.250 -5.227 1.500 269 HE2 LYS 34 2HE LYS 34 19.980 -7.154 3.752 270 HE3 LYS 34 1HE LYS 34 20.734 -7.367 2.176 271 HZ1 LYS 34 3HZ LYS 34 22.589 -6.054 2.870 272 HZ2 LYS 34 1HZ LYS 34 22.337 -7.272 4.024 273 HZ3 LYS 34 2HZ LYS 34 21.842 -5.679 4.350 274 H GLU 35 H GLU 35 18.490 -0.588 4.458 275 HA GLU 35 HA GLU 35 18.589 -1.857 7.036 276 HB2 GLU 35 2HB GLU 35 18.217 1.025 6.208 277 HB3 GLU 35 1HB GLU 35 18.401 0.489 7.878 278 HG2 GLU 35 2HG GLU 35 20.411 0.001 5.659 279 HG3 GLU 35 1HG GLU 35 20.560 1.237 6.906 280 H LEU 36 H LEU 36 16.020 -0.072 5.226 281 HA LEU 36 HA LEU 36 14.217 -0.134 7.427 282 HB2 LEU 36 2HB LEU 36 13.983 1.300 5.311 283 HB3 LEU 36 1HB LEU 36 13.284 -0.130 4.547 284 HG LEU 36 HG LEU 36 12.269 1.002 7.209 285 HD11 LEU 36 1HD1 LEU 36 11.394 1.649 4.416 286 HD12 LEU 36 2HD1 LEU 36 11.816 2.755 5.720 287 HD13 LEU 36 3HD1 LEU 36 10.328 1.833 5.796 288 HD21 LEU 36 3HD2 LEU 36 10.161 -0.257 6.023 289 HD22 LEU 36 1HD2 LEU 36 11.264 -1.035 7.137 290 HD23 LEU 36 2HD2 LEU 36 11.486 -1.227 5.407 291 H LEU 37 H LEU 37 14.467 -2.347 4.586 292 HA LEU 37 HA LEU 37 12.240 -3.885 5.334 293 HB2 LEU 37 2HB LEU 37 14.694 -4.599 3.740 294 HB3 LEU 37 1HB LEU 37 13.444 -5.784 4.084 295 HG LEU 37 HG LEU 37 13.226 -4.587 1.853 296 HD11 LEU 37 1HD1 LEU 37 10.893 -4.650 1.911 297 HD12 LEU 37 2HD1 LEU 37 10.811 -3.979 3.538 298 HD13 LEU 37 3HD1 LEU 37 11.321 -5.651 3.296 299 HD21 LEU 37 3HD2 LEU 37 12.306 -2.326 1.861 300 HD22 LEU 37 1HD2 LEU 37 13.875 -2.345 2.650 301 HD23 LEU 37 2HD2 LEU 37 12.409 -2.272 3.614 302 H GLN 38 H GLN 38 15.658 -4.206 6.239 303 HA GLN 38 HA GLN 38 15.304 -6.560 7.768 304 HB2 GLN 38 2HB GLN 38 17.384 -4.377 7.941 305 HB3 GLN 38 1HB GLN 38 17.457 -5.885 8.851 306 HG2 GLN 38 2HG GLN 38 17.458 -7.176 6.768 307 HG3 GLN 38 1HG GLN 38 17.313 -5.698 5.816 308 HE21 GLN 38 1HE2 GLN 38 19.550 -7.488 5.521 309 HE22 GLN 38 2HE2 GLN 38 20.941 -6.681 6.066 310 H THR 39 H THR 39 15.050 -3.111 8.614 311 HA THR 39 HA THR 39 14.767 -3.586 11.418 312 HB THR 39 HB THR 39 14.084 -1.241 11.545 313 HG1 THR 39 1HG THR 39 14.131 -1.379 8.716 314 HG21 THR 39 3HG2 THR 39 16.104 -0.481 9.844 315 HG22 THR 39 1HG2 THR 39 16.491 -2.181 10.116 316 HG23 THR 39 2HG2 THR 39 16.351 -1.078 11.484 317 H GLU 40 H GLU 40 12.392 -3.332 8.793 318 HA GLU 40 HA GLU 40 10.216 -3.533 10.774 319 HB2 GLU 40 2HB GLU 40 10.190 -2.914 7.825 320 HB3 GLU 40 1HB GLU 40 8.751 -3.106 8.806 321 HG2 GLU 40 2HG GLU 40 10.938 -1.094 9.390 322 HG3 GLU 40 1HG GLU 40 9.430 -0.713 8.561 323 H LEU 41 H LEU 41 11.014 -5.019 7.610 324 HA LEU 41 HA LEU 41 9.366 -7.329 8.360 325 HB2 LEU 41 2HB LEU 41 10.730 -6.785 5.716 326 HB3 LEU 41 1HB LEU 41 9.476 -7.972 6.043 327 HG LEU 41 HG LEU 41 9.181 -4.958 6.079 328 HD11 LEU 41 1HD1 LEU 41 9.135 -6.538 3.924 329 HD12 LEU 41 2HD1 LEU 41 8.027 -5.178 4.093 330 HD13 LEU 41 3HD1 LEU 41 7.482 -6.813 4.463 331 HD21 LEU 41 3HD2 LEU 41 7.348 -7.148 7.043 332 HD22 LEU 41 1HD2 LEU 41 6.685 -5.650 6.392 333 HD23 LEU 41 2HD2 LEU 41 7.729 -5.600 7.808 334 H SER 42 H SER 42 10.105 -9.393 8.506 335 HA SER 42 HA SER 42 13.051 -9.688 8.592 336 HB2 SER 42 2HB SER 42 12.716 -11.432 10.233 337 HB3 SER 42 1HB SER 42 11.846 -9.993 10.757 338 HG SER 42 HG SER 42 10.837 -12.329 10.540 339 H GLY 43 H GLY 43 10.430 -12.051 8.476 340 HA2 GLY 43 2HA GLY 43 11.746 -13.899 6.878 341 HA3 GLY 43 1HA GLY 43 10.008 -13.824 7.099 342 H PHE 44 H PHE 44 9.650 -11.199 5.798 343 HA PHE 44 HA PHE 44 9.257 -12.119 3.176 344 HB2 PHE 44 2HB PHE 44 9.446 -9.298 4.234 345 HB3 PHE 44 1HB PHE 44 8.935 -9.696 2.599 346 HD1 PHE 44 1HD PHE 44 6.852 -10.951 2.191 347 HD2 PHE 44 2HD PHE 44 7.990 -9.696 6.150 348 HE1 PHE 44 1HE PHE 44 4.545 -11.379 2.998 349 HE2 PHE 44 2HE PHE 44 5.683 -10.126 6.944 350 HZ PHE 44 HZ PHE 44 3.963 -10.966 5.372 351 H LEU 45 H LEU 45 11.698 -9.697 4.230 352 HA LEU 45 HA LEU 45 13.034 -9.768 1.695 353 HB2 LEU 45 2HB LEU 45 12.938 -7.940 3.619 354 HB3 LEU 45 1HB LEU 45 14.366 -8.786 4.188 355 HG LEU 45 HG LEU 45 15.155 -7.008 2.787 356 HD11 LEU 45 1HD1 LEU 45 15.151 -9.435 0.976 357 HD12 LEU 45 2HD1 LEU 45 16.176 -9.300 2.408 358 HD13 LEU 45 3HD1 LEU 45 16.363 -8.161 1.071 359 HD21 LEU 45 3HD2 LEU 45 13.585 -7.948 0.408 360 HD22 LEU 45 1HD2 LEU 45 14.219 -6.346 0.771 361 HD23 LEU 45 2HD2 LEU 45 12.785 -6.933 1.606 362 H ASP 46 H ASP 46 13.563 -11.173 4.852 363 HA ASP 46 HA ASP 46 16.073 -12.367 4.448 364 HB2 ASP 46 2HB ASP 46 15.002 -12.009 6.655 365 HB3 ASP 46 1HB ASP 46 13.874 -13.314 6.285 366 H ALA 47 H ALA 47 12.861 -13.460 3.569 367 HA ALA 47 HA ALA 47 13.248 -16.188 3.412 368 HB1 ALA 47 1HB ALA 47 11.558 -14.300 1.794 369 HB2 ALA 47 2HB ALA 47 11.060 -15.413 3.068 370 HB3 ALA 47 3HB ALA 47 11.541 -16.037 1.490 371 H GLN 48 H GLN 48 14.303 -13.729 1.092 372 HA GLN 48 HA GLN 48 14.911 -15.540 -1.004 373 HB2 GLN 48 2HB GLN 48 16.290 -12.912 -0.372 374 HB3 GLN 48 1HB GLN 48 16.363 -13.791 -1.899 375 HG2 GLN 48 2HG GLN 48 13.910 -12.505 -0.659 376 HG3 GLN 48 1HG GLN 48 14.719 -12.042 -2.146 377 HE21 GLN 48 1HE2 GLN 48 12.064 -13.698 -1.025 378 HE22 GLN 48 2HE2 GLN 48 11.813 -14.734 -2.351 379 H LYS 49 H LYS 49 16.636 -14.469 1.832 380 HA LYS 49 HA LYS 49 18.469 -15.247 2.943 381 HB2 LYS 49 2HB LYS 49 17.937 -17.704 1.268 382 HB3 LYS 49 1HB LYS 49 19.056 -17.636 2.629 383 HG2 LYS 49 2HG LYS 49 17.169 -16.905 4.092 384 HG3 LYS 49 1HG LYS 49 16.072 -17.115 2.728 385 HD2 LYS 49 2HD LYS 49 16.796 -19.503 2.570 386 HD3 LYS 49 1HD LYS 49 17.764 -19.269 4.025 387 HE2 LYS 49 2HE LYS 49 15.778 -18.724 5.320 388 HE3 LYS 49 1HE LYS 49 14.774 -18.791 3.870 389 HZ1 LYS 49 3HZ LYS 49 16.117 -21.002 5.291 390 HZ2 LYS 49 1HZ LYS 49 15.674 -21.161 3.661 391 HZ3 LYS 49 2HZ LYS 49 14.485 -20.860 4.837 392 H ASP 50 H ASP 50 18.988 -13.682 0.557 393 HA ASP 50 HA ASP 50 21.747 -14.585 0.114 394 HB2 ASP 50 2HB ASP 50 19.824 -13.931 -2.131 395 HB3 ASP 50 1HB ASP 50 21.567 -14.062 -2.325 396 H VAL 51 H VAL 51 23.195 -12.885 -0.378 397 HA VAL 51 HA VAL 51 22.350 -10.288 0.537 398 HB VAL 51 HB VAL 51 24.618 -9.581 0.211 399 HG11 VAL 51 1HG1 VAL 51 23.977 -11.468 1.943 400 HG12 VAL 51 2HG1 VAL 51 25.661 -10.999 1.715 401 HG13 VAL 51 3HG1 VAL 51 25.039 -12.456 0.940 402 HG21 VAL 51 3HG2 VAL 51 25.017 -12.123 -1.409 403 HG22 VAL 51 1HG2 VAL 51 26.280 -10.976 -0.976 404 HG23 VAL 51 2HG2 VAL 51 24.981 -10.484 -2.058 405 H ASP 52 H ASP 52 22.886 -11.880 -2.494 406 HA ASP 52 HA ASP 52 22.862 -9.677 -4.254 407 HB2 ASP 52 2HB ASP 52 22.028 -12.558 -4.642 408 HB3 ASP 52 1HB ASP 52 22.155 -11.384 -5.950 409 H ALA 53 H ALA 53 20.366 -11.439 -2.607 410 HA ALA 53 HA ALA 53 18.140 -10.928 -4.135 411 HB1 ALA 53 1HB ALA 53 16.845 -11.228 -2.119 412 HB2 ALA 53 2HB ALA 53 18.252 -10.867 -1.119 413 HB3 ALA 53 3HB ALA 53 18.216 -12.334 -2.093 414 H VAL 54 H VAL 54 19.701 -8.683 -1.811 415 HA VAL 54 HA VAL 54 17.599 -6.789 -1.843 416 HB VAL 54 HB VAL 54 19.552 -6.736 -0.261 417 HG11 VAL 54 1HG1 VAL 54 21.076 -5.302 -2.421 418 HG12 VAL 54 2HG1 VAL 54 21.160 -7.057 -2.332 419 HG13 VAL 54 3HG1 VAL 54 21.684 -6.082 -0.962 420 HG21 VAL 54 3HG2 VAL 54 18.796 -4.327 -1.918 421 HG22 VAL 54 1HG2 VAL 54 19.868 -4.189 -0.528 422 HG23 VAL 54 2HG2 VAL 54 18.219 -4.774 -0.312 423 H ASP 55 H ASP 55 20.457 -7.196 -3.905 424 HA ASP 55 HA ASP 55 20.063 -4.920 -5.523 425 HB2 ASP 55 2HB ASP 55 21.352 -7.587 -6.075 426 HB3 ASP 55 1HB ASP 55 21.434 -6.223 -7.189 427 H LYS 56 H LYS 56 18.969 -8.284 -5.801 428 HA LYS 56 HA LYS 56 17.669 -8.014 -8.298 429 HB2 LYS 56 2HB LYS 56 17.085 -9.863 -5.972 430 HB3 LYS 56 1HB LYS 56 16.392 -10.030 -7.586 431 HG2 LYS 56 2HG LYS 56 18.703 -10.182 -8.519 432 HG3 LYS 56 1HG LYS 56 19.337 -10.142 -6.873 433 HD2 LYS 56 2HD LYS 56 17.971 -12.169 -6.345 434 HD3 LYS 56 1HD LYS 56 17.486 -12.241 -8.039 435 HE2 LYS 56 2HE LYS 56 20.237 -12.627 -6.862 436 HE3 LYS 56 1HE LYS 56 19.328 -13.720 -7.906 437 HZ1 LYS 56 3HZ LYS 56 20.901 -11.372 -8.593 438 HZ2 LYS 56 1HZ LYS 56 19.462 -11.587 -9.465 439 HZ3 LYS 56 2HZ LYS 56 20.646 -12.805 -9.468 440 H VAL 57 H VAL 57 16.609 -7.484 -4.983 441 HA VAL 57 HA VAL 57 13.880 -7.090 -5.547 442 HB VAL 57 HB VAL 57 15.605 -6.219 -3.220 443 HG11 VAL 57 1HG1 VAL 57 13.207 -6.011 -2.172 444 HG12 VAL 57 2HG1 VAL 57 12.693 -5.764 -3.841 445 HG13 VAL 57 3HG1 VAL 57 13.855 -4.662 -3.103 446 HG21 VAL 57 3HG2 VAL 57 14.776 -8.131 -2.163 447 HG22 VAL 57 1HG2 VAL 57 14.954 -8.694 -3.826 448 HG23 VAL 57 2HG2 VAL 57 13.366 -8.226 -3.217 449 H MET 58 H MET 58 16.556 -4.696 -5.260 450 HA MET 58 HA MET 58 14.764 -2.515 -5.575 451 HB2 MET 58 2HB MET 58 16.586 -1.067 -5.685 452 HB3 MET 58 1HB MET 58 17.099 -2.364 -4.622 453 HG2 MET 58 2HG MET 58 18.878 -2.776 -5.949 454 HG3 MET 58 1HG MET 58 17.831 -3.043 -7.329 455 HE1 MET 58 3HE MET 58 19.920 0.522 -5.724 456 HE2 MET 58 1HE MET 58 18.800 -0.556 -4.880 457 HE3 MET 58 2HE MET 58 18.206 0.926 -5.633 458 H LYS 59 H LYS 59 16.369 -4.486 -8.030 459 HA LYS 59 HA LYS 59 16.088 -2.684 -10.168 460 HB2 LYS 59 2HB LYS 59 16.033 -5.703 -10.271 461 HB3 LYS 59 1HB LYS 59 16.225 -4.642 -11.665 462 HG2 LYS 59 2HG LYS 59 18.109 -4.701 -9.315 463 HG3 LYS 59 1HG LYS 59 18.374 -5.498 -10.862 464 HD2 LYS 59 2HD LYS 59 17.763 -3.006 -11.752 465 HD3 LYS 59 1HD LYS 59 18.449 -2.597 -10.178 466 HE2 LYS 59 2HE LYS 59 20.401 -4.089 -10.777 467 HE3 LYS 59 1HE LYS 59 19.714 -4.161 -12.400 468 HZ1 LYS 59 3HZ LYS 59 21.465 -2.374 -11.910 469 HZ2 LYS 59 1HZ LYS 59 20.224 -1.571 -11.078 470 HZ3 LYS 59 2HZ LYS 59 20.057 -1.905 -12.735 471 H GLU 60 H GLU 60 13.715 -5.076 -8.944 472 HA GLU 60 HA GLU 60 11.888 -4.511 -11.083 473 HB2 GLU 60 2HB GLU 60 10.347 -5.925 -9.986 474 HB3 GLU 60 1HB GLU 60 11.928 -6.622 -9.641 475 HG2 GLU 60 2HG GLU 60 11.932 -5.392 -7.463 476 HG3 GLU 60 1HG GLU 60 10.288 -4.862 -7.799 477 H LEU 61 H LEU 61 12.391 -3.256 -7.845 478 HA LEU 61 HA LEU 61 10.002 -1.718 -7.707 479 HB2 LEU 61 2HB LEU 61 12.635 -1.246 -6.299 480 HB3 LEU 61 1HB LEU 61 11.097 -0.513 -5.871 481 HG LEU 61 HG LEU 61 11.748 -3.465 -5.760 482 HD11 LEU 61 1HD1 LEU 61 10.948 -1.768 -3.423 483 HD12 LEU 61 2HD1 LEU 61 12.611 -1.679 -4.003 484 HD13 LEU 61 3HD1 LEU 61 11.951 -3.218 -3.459 485 HD21 LEU 61 3HD2 LEU 61 9.445 -3.456 -6.213 486 HD22 LEU 61 1HD2 LEU 61 9.194 -1.918 -5.379 487 HD23 LEU 61 2HD2 LEU 61 9.486 -3.388 -4.469 488 H ASP 62 H ASP 62 13.204 -1.060 -8.996 489 HA ASP 62 HA ASP 62 12.714 1.733 -9.256 490 HB2 ASP 62 2HB ASP 62 14.974 0.627 -9.247 491 HB3 ASP 62 1HB ASP 62 14.630 0.098 -10.895 492 H GLU 63 H GLU 63 10.526 1.617 -10.161 493 HA GLU 63 HA GLU 63 10.085 0.638 -12.826 494 HB2 GLU 63 2HB GLU 63 8.215 1.185 -11.290 495 HB3 GLU 63 1HB GLU 63 8.683 2.886 -11.345 496 HG2 GLU 63 2HG GLU 63 8.344 2.896 -13.788 497 HG3 GLU 63 1HG GLU 63 7.842 1.219 -13.724 498 H ASN 64 H ASN 64 11.085 3.501 -11.317 499 HA ASN 64 HA ASN 64 11.209 5.315 -13.392 500 HB2 ASN 64 2HB ASN 64 11.284 5.812 -11.027 501 HB3 ASN 64 1HB ASN 64 12.795 4.946 -10.879 502 HD21 ASN 64 1HD2 ASN 64 11.528 7.632 -12.940 503 HD22 ASN 64 2HD2 ASN 64 12.921 8.584 -12.757 504 H GLY 65 H GLY 65 13.596 2.912 -12.297 505 HA2 GLY 65 2HA GLY 65 15.234 1.883 -13.618 506 HA3 GLY 65 1HA GLY 65 14.934 3.069 -14.878 507 H ASP 66 H ASP 66 15.401 4.491 -11.804 508 HA ASP 66 HA ASP 66 18.007 5.489 -12.674 509 HB2 ASP 66 2HB ASP 66 17.743 7.126 -10.871 510 HB3 ASP 66 1HB ASP 66 16.303 7.080 -11.887 511 H GLY 67 H GLY 67 17.196 2.787 -11.071 512 HA2 GLY 67 2HA GLY 67 18.441 1.324 -9.781 513 HA3 GLY 67 1HA GLY 67 19.779 2.468 -9.882 514 H GLU 68 H GLU 68 17.175 4.142 -8.924 515 HA GLU 68 HA GLU 68 17.748 3.894 -6.016 516 HB2 GLU 68 2HB GLU 68 18.505 5.996 -7.242 517 HB3 GLU 68 1HB GLU 68 16.805 6.335 -7.534 518 HG2 GLU 68 2HG GLU 68 17.441 7.546 -5.574 519 HG3 GLU 68 1HG GLU 68 16.452 6.197 -5.029 520 H VAL 69 H VAL 69 15.966 3.827 -4.655 521 HA VAL 69 HA VAL 69 13.423 3.241 -5.998 522 HB VAL 69 HB VAL 69 14.344 2.711 -3.172 523 HG11 VAL 69 1HG1 VAL 69 11.929 1.588 -4.580 524 HG12 VAL 69 2HG1 VAL 69 11.847 2.965 -3.475 525 HG13 VAL 69 3HG1 VAL 69 12.367 1.390 -2.886 526 HG21 VAL 69 3HG2 VAL 69 14.241 0.327 -4.029 527 HG22 VAL 69 1HG2 VAL 69 15.593 1.323 -4.556 528 HG23 VAL 69 2HG2 VAL 69 14.231 1.036 -5.644 529 H ASP 70 H ASP 70 11.655 4.564 -5.816 530 HA ASP 70 HA ASP 70 12.023 6.919 -4.038 531 HB2 ASP 70 2HB ASP 70 10.596 8.169 -5.456 532 HB3 ASP 70 1HB ASP 70 11.685 7.291 -6.516 533 H PHE 71 H PHE 71 9.856 7.837 -3.249 534 HA PHE 71 HA PHE 71 8.766 6.156 -1.324 535 HB2 PHE 71 2HB PHE 71 8.677 8.721 -1.633 536 HB3 PHE 71 1HB PHE 71 7.268 8.423 -2.631 537 HD1 PHE 71 1HD PHE 71 6.689 5.874 -0.477 538 HD2 PHE 71 2HD PHE 71 7.078 10.144 -0.337 539 HE1 PHE 71 1HE PHE 71 5.262 5.932 1.536 540 HE2 PHE 71 2HE PHE 71 5.663 10.186 1.684 541 HZ PHE 71 HZ PHE 71 4.764 8.089 2.613 542 H GLN 72 H GLN 72 7.449 6.954 -4.563 543 HA GLN 72 HA GLN 72 5.046 5.481 -4.280 544 HB2 GLN 72 2HB GLN 72 6.643 6.179 -6.759 545 HB3 GLN 72 1HB GLN 72 5.011 5.508 -6.778 546 HG2 GLN 72 2HG GLN 72 4.199 7.426 -5.478 547 HG3 GLN 72 1HG GLN 72 5.812 8.100 -5.412 548 HE21 GLN 72 1HE2 GLN 72 3.759 9.619 -6.522 549 HE22 GLN 72 2HE2 GLN 72 3.988 9.742 -8.194 550 H GLU 73 H GLU 73 8.266 4.498 -5.450 551 HA GLU 73 HA GLU 73 7.545 1.911 -6.327 552 HB2 GLU 73 2HB GLU 73 10.147 3.024 -5.294 553 HB3 GLU 73 1HB GLU 73 9.994 1.454 -6.070 554 HG2 GLU 73 2HG GLU 73 9.134 2.600 -8.117 555 HG3 GLU 73 1HG GLU 73 9.391 4.152 -7.332 556 H TYR 74 H TYR 74 8.727 3.186 -3.255 557 HA TYR 74 HA TYR 74 8.908 0.765 -1.793 558 HB2 TYR 74 2HB TYR 74 9.971 2.875 -1.094 559 HB3 TYR 74 1HB TYR 74 8.377 3.596 -0.849 560 HD1 TYR 74 1HD TYR 74 10.764 1.046 0.387 561 HD2 TYR 74 2HD TYR 74 7.022 3.044 1.050 562 HE1 TYR 74 1HE TYR 74 10.682 0.135 2.693 563 HE2 TYR 74 2HE TYR 74 6.938 2.130 3.351 564 HH TYR 74 HH TYR 74 9.278 -0.236 4.471 565 H VAL 75 H VAL 75 6.401 3.123 -2.267 566 HA VAL 75 HA VAL 75 4.512 2.140 -0.442 567 HB VAL 75 HB VAL 75 4.613 4.296 -2.303 568 HG11 VAL 75 1HG1 VAL 75 2.312 4.232 -3.264 569 HG12 VAL 75 2HG1 VAL 75 2.243 2.529 -2.868 570 HG13 VAL 75 3HG1 VAL 75 3.434 3.107 -4.014 571 HG21 VAL 75 3HG2 VAL 75 2.587 3.424 -0.248 572 HG22 VAL 75 1HG2 VAL 75 2.416 4.920 -1.164 573 HG23 VAL 75 2HG2 VAL 75 3.820 4.685 -0.121 574 H VAL 76 H VAL 76 4.926 1.422 -3.939 575 HA VAL 76 HA VAL 76 2.769 -0.458 -3.853 576 HB VAL 76 HB VAL 76 3.488 -1.244 -6.018 577 HG11 VAL 76 1HG1 VAL 76 2.453 1.117 -5.623 578 HG12 VAL 76 2HG1 VAL 76 3.146 0.758 -7.205 579 HG13 VAL 76 3HG1 VAL 76 4.060 1.716 -6.042 580 HG21 VAL 76 3HG2 VAL 76 5.927 0.499 -5.727 581 HG22 VAL 76 1HG2 VAL 76 5.567 -0.613 -7.035 582 HG23 VAL 76 2HG2 VAL 76 5.965 -1.233 -5.433 583 H LEU 77 H LEU 77 6.273 -0.687 -3.170 584 HA LEU 77 HA LEU 77 6.433 -3.492 -3.123 585 HB2 LEU 77 2HB LEU 77 8.440 -2.172 -2.805 586 HB3 LEU 77 1HB LEU 77 7.792 -1.452 -1.350 587 HG LEU 77 HG LEU 77 7.787 -3.763 -0.296 588 HD11 LEU 77 1HD1 LEU 77 8.705 -5.615 -1.268 589 HD12 LEU 77 2HD1 LEU 77 9.821 -4.693 -2.255 590 HD13 LEU 77 3HD1 LEU 77 8.141 -4.848 -2.741 591 HD21 LEU 77 3HD2 LEU 77 10.366 -3.770 -0.132 592 HD22 LEU 77 1HD2 LEU 77 9.495 -2.330 0.398 593 HD23 LEU 77 2HD2 LEU 77 10.285 -2.352 -1.178 594 H VAL 78 H VAL 78 5.566 -1.317 -0.385 595 HA VAL 78 HA VAL 78 5.046 -3.571 1.296 596 HB VAL 78 HB VAL 78 3.933 -2.049 2.859 597 HG11 VAL 78 1HG1 VAL 78 6.251 -2.174 3.124 598 HG12 VAL 78 2HG1 VAL 78 5.921 -0.441 3.079 599 HG13 VAL 78 3HG1 VAL 78 6.570 -1.255 1.651 600 HG21 VAL 78 3HG2 VAL 78 3.686 0.307 2.418 601 HG22 VAL 78 1HG2 VAL 78 2.874 -0.558 1.120 602 HG23 VAL 78 2HG2 VAL 78 4.459 0.163 0.846 603 H ALA 79 H ALA 79 2.963 -1.665 -0.853 604 HA ALA 79 HA ALA 79 0.533 -2.816 0.153 605 HB1 ALA 79 1HB ALA 79 1.033 -0.778 -1.507 606 HB2 ALA 79 2HB ALA 79 -0.520 -1.589 -1.438 607 HB3 ALA 79 3HB ALA 79 0.643 -2.006 -2.702 608 H ALA 80 H ALA 80 2.531 -3.647 -2.673 609 HA ALA 80 HA ALA 80 0.946 -5.812 -3.541 610 HB1 ALA 80 1HB ALA 80 2.524 -4.885 -5.069 611 HB2 ALA 80 2HB ALA 80 3.083 -6.523 -4.712 612 HB3 ALA 80 3HB ALA 80 3.864 -5.137 -3.947 613 H LEU 81 H LEU 81 3.688 -5.552 -1.273 614 HA LEU 81 HA LEU 81 3.833 -8.362 -0.822 615 HB2 LEU 81 2HB LEU 81 4.923 -5.961 0.561 616 HB3 LEU 81 1HB LEU 81 4.818 -7.457 1.483 617 HG LEU 81 HG LEU 81 6.127 -8.645 -0.198 618 HD11 LEU 81 1HD1 LEU 81 5.286 -7.205 -2.150 619 HD12 LEU 81 2HD1 LEU 81 6.979 -7.674 -2.176 620 HD13 LEU 81 3HD1 LEU 81 6.527 -6.052 -1.679 621 HD21 LEU 81 3HD2 LEU 81 7.357 -7.466 1.563 622 HD22 LEU 81 1HD2 LEU 81 7.391 -6.002 0.579 623 HD23 LEU 81 2HD2 LEU 81 8.272 -7.438 0.055 624 H THR 82 H THR 82 1.824 -5.775 0.549 625 HA THR 82 HA THR 82 0.802 -7.282 2.728 626 HB THR 82 HB THR 82 -0.601 -5.139 1.119 627 HG1 THR 82 1HG THR 82 0.275 -3.802 2.809 628 HG21 THR 82 3HG2 THR 82 -1.463 -6.742 3.320 629 HG22 THR 82 1HG2 THR 82 -2.287 -5.358 2.602 630 HG23 THR 82 2HG2 THR 82 -1.160 -5.118 3.935 631 H VAL 83 H VAL 83 -0.540 -6.811 -0.574 632 HA VAL 83 HA VAL 83 -2.725 -8.603 -0.104 633 HB VAL 83 HB VAL 83 -2.793 -7.033 -2.007 634 HG11 VAL 83 1HG1 VAL 83 -0.939 -8.896 -3.489 635 HG12 VAL 83 2HG1 VAL 83 -0.343 -7.469 -2.660 636 HG13 VAL 83 3HG1 VAL 83 -1.490 -7.290 -3.955 637 HG21 VAL 83 3HG2 VAL 83 -4.002 -8.470 -3.399 638 HG22 VAL 83 1HG2 VAL 83 -3.981 -9.364 -1.877 639 HG23 VAL 83 2HG2 VAL 83 -2.866 -9.803 -3.175 640 H ALA 84 H ALA 84 0.557 -9.116 -1.298 641 HA ALA 84 HA ALA 84 0.232 -11.848 -1.995 642 HB1 ALA 84 1HB ALA 84 2.153 -10.285 -2.613 643 HB2 ALA 84 2HB ALA 84 2.599 -11.921 -2.127 644 HB3 ALA 84 3HB ALA 84 2.780 -10.584 -0.991 645 H CYS 85 H CHC 85 0.806 -10.140 0.985 646 HA CYS 85 HA CHC 85 1.652 -12.348 2.553 647 HB2 CYS 85 2HB CHC 85 1.933 -9.921 3.172 648 HB3 CYS 85 1HB CHC 85 0.203 -9.867 3.502 649 H ASN 86 H ASN 86 -1.517 -10.669 2.300 650 HA ASN 86 HA ASN 86 -2.890 -12.497 3.946 651 HB2 ASN 86 2HB ASN 86 -3.827 -10.339 3.093 652 HB3 ASN 86 1HB ASN 86 -4.030 -11.103 1.518 653 HD21 ASN 86 1HD2 ASN 86 -4.966 -11.539 4.971 654 HD22 ASN 86 2HD2 ASN 86 -6.444 -12.298 4.624 655 H ASN 87 H ASN 87 -2.249 -12.547 0.431 656 HA ASN 87 HA ASN 87 -3.717 -14.898 -0.140 657 HB2 ASN 87 2HB ASN 87 -2.585 -13.287 -1.812 658 HB3 ASN 87 1HB ASN 87 -1.120 -14.218 -1.491 659 HD21 ASN 87 1HD2 ASN 87 -1.345 -14.836 -3.872 660 HD22 ASN 87 2HD2 ASN 87 -2.360 -16.141 -4.252 661 H PHE 88 H PHE 88 -0.444 -14.352 1.049 662 HA PHE 88 HA PHE 88 0.477 -17.003 0.843 663 HB2 PHE 88 2HB PHE 88 1.936 -15.037 1.269 664 HB3 PHE 88 1HB PHE 88 1.275 -14.934 2.900 665 HD1 PHE 88 1HD PHE 88 3.272 -17.020 0.580 666 HD2 PHE 88 2HD PHE 88 1.908 -16.495 4.619 667 HE1 PHE 88 1HE PHE 88 4.885 -18.739 1.347 668 HE2 PHE 88 2HE PHE 88 3.523 -18.213 5.387 669 HZ PHE 88 HZ PHE 88 5.011 -19.336 3.752 670 H PHE 89 H PHE 89 -1.121 -15.298 3.542 671 HA PHE 89 HA PHE 89 -0.982 -17.483 5.340 672 HB2 PHE 89 2HB PHE 89 -1.395 -15.137 6.023 673 HB3 PHE 89 1HB PHE 89 -2.998 -15.231 5.293 674 HD1 PHE 89 1HD PHE 89 -0.822 -16.557 7.983 675 HD2 PHE 89 2HD PHE 89 -4.792 -16.448 6.346 676 HE1 PHE 89 1HE PHE 89 -1.704 -17.603 10.051 677 HE2 PHE 89 2HE PHE 89 -5.673 -17.495 8.415 678 HZ PHE 89 HZ PHE 89 -4.129 -18.072 10.267 679 H TRP 90 H TRP 90 -3.775 -16.290 3.409 680 HA TRP 90 HA TRP 90 -5.460 -18.466 4.123 681 HB2 TRP 90 2HB TRP 90 -6.343 -16.355 3.236 682 HB3 TRP 90 1HB TRP 90 -5.639 -16.747 1.659 683 HD1 TRP 90 HD TRP 90 -6.452 -19.015 0.517 684 HE1 TRP 90 1HE TRP 90 -8.734 -20.204 0.569 685 HE3 TRP 90 3HE TRP 90 -8.457 -16.822 4.653 686 HZ2 TRP 90 2HZ TRP 90 -11.114 -20.214 2.172 687 HZ3 TRP 90 3HZ TRP 90 -10.730 -17.438 5.428 688 HH2 TRP 90 HH TRP 90 -12.059 -19.130 4.194 689 H GLU 91 H GLU 91 -3.332 -17.949 1.399 690 HA GLU 91 HA GLU 91 -4.016 -20.569 0.288 691 HB2 GLU 91 2HB GLU 91 -3.568 -18.124 -0.865 692 HB3 GLU 91 1HB GLU 91 -1.992 -18.880 -1.081 693 HG2 GLU 91 2HG GLU 91 -4.643 -20.147 -1.868 694 HG3 GLU 91 1HG GLU 91 -3.576 -19.300 -2.985 695 H ASN 92 H ASN 92 -2.535 -22.233 0.063 696 HA ASN 92 HA ASN 92 -0.596 -22.590 2.027 697 HB2 ASN 92 2HB ASN 92 -1.684 -24.366 0.586 698 HB3 ASN 92 1HB ASN 92 -0.542 -23.924 -0.681 699 HD21 ASN 92 1HD2 ASN 92 -0.181 -26.468 0.054 700 HD22 ASN 92 2HD2 ASN 92 1.120 -26.661 1.126 701 H SER 93 H SER 93 -0.254 -21.308 -1.247 702 HA SER 93 HA SER 93 2.577 -20.678 -0.646 703 HB2 SER 93 2HB SER 93 2.205 -22.324 -2.514 704 HB3 SER 93 1HB SER 93 1.346 -21.056 -3.384 705 HG SER 93 HG SER 93 3.430 -19.831 -2.795 706 H1 GLY 1 H GLY 1 7.444 -9.049 15.790 707 HA2 GLY 1 2HA GLY 1 5.605 -8.104 14.650 708 HA3 GLY 1 1HA GLY 1 5.014 -7.468 16.182 709 H SER 2 H SER 2 5.722 -6.301 13.407 710 HA SER 2 HA SER 2 7.308 -4.016 14.435 711 HB2 SER 2 2HB SER 2 8.301 -3.775 12.248 712 HB3 SER 2 1HB SER 2 8.546 -5.428 12.787 713 HG SER 2 HG SER 2 6.532 -5.871 11.590 714 H GLU 3 H GLU 3 6.746 -1.933 13.543 715 HA GLU 3 HA GLU 3 3.978 -1.471 13.408 716 HB2 GLU 3 2HB GLU 3 6.301 0.258 12.564 717 HB3 GLU 3 1HB GLU 3 4.636 0.824 12.663 718 HG2 GLU 3 2HG GLU 3 4.572 0.168 15.047 719 HG3 GLU 3 1HG GLU 3 6.259 -0.331 14.943 720 H LEU 4 H LEU 4 6.369 -1.779 10.770 721 HA LEU 4 HA LEU 4 4.640 -0.866 8.727 722 HB2 LEU 4 2HB LEU 4 7.196 -1.473 8.710 723 HB3 LEU 4 1HB LEU 4 6.612 -3.080 8.276 724 HG LEU 4 HG LEU 4 6.068 -0.486 6.801 725 HD11 LEU 4 1HD1 LEU 4 7.510 -1.218 5.133 726 HD12 LEU 4 2HD1 LEU 4 7.408 -2.905 5.630 727 HD13 LEU 4 3HD1 LEU 4 8.336 -1.754 6.594 728 HD21 LEU 4 3HD2 LEU 4 4.106 -1.667 6.454 729 HD22 LEU 4 1HD2 LEU 4 4.913 -3.238 6.476 730 HD23 LEU 4 2HD2 LEU 4 5.090 -2.172 5.084 731 H GLU 5 H GLU 5 5.191 -4.075 10.165 732 HA GLU 5 HA GLU 5 3.401 -5.489 8.470 733 HB2 GLU 5 2HB GLU 5 4.388 -6.097 11.262 734 HB3 GLU 5 1HB GLU 5 3.385 -7.196 10.319 735 HG2 GLU 5 2HG GLU 5 5.101 -7.200 8.536 736 HG3 GLU 5 1HG GLU 5 6.114 -6.154 9.524 737 H THR 6 H THR 6 2.986 -3.749 11.532 738 HA THR 6 HA THR 6 0.364 -4.617 12.078 739 HB THR 6 HB THR 6 1.541 -1.883 12.645 740 HG1 THR 6 1HG THR 6 2.334 -4.252 13.448 741 HG21 THR 6 3HG2 THR 6 -0.937 -2.173 12.948 742 HG22 THR 6 1HG2 THR 6 -0.078 -1.804 14.443 743 HG23 THR 6 2HG2 THR 6 -0.595 -3.457 14.108 744 H ALA 7 H ALA 7 1.637 -1.964 10.118 745 HA ALA 7 HA ALA 7 -0.884 -0.859 9.405 746 HB1 ALA 7 1HB ALA 7 0.285 0.452 7.879 747 HB2 ALA 7 2HB ALA 7 1.443 -0.825 7.513 748 HB3 ALA 7 3HB ALA 7 1.551 0.050 9.036 749 H MET 8 H MET 8 1.211 -3.267 7.856 750 HA MET 8 HA MET 8 -0.363 -3.710 5.548 751 HB2 MET 8 2HB MET 8 1.534 -5.493 7.098 752 HB3 MET 8 1HB MET 8 0.862 -5.922 5.524 753 HG2 MET 8 2HG MET 8 1.853 -3.941 4.507 754 HG3 MET 8 1HG MET 8 2.436 -3.386 6.058 755 HE1 MET 8 3HE MET 8 4.004 -6.813 3.482 756 HE2 MET 8 1HE MET 8 2.691 -5.680 3.138 757 HE3 MET 8 2HE MET 8 2.454 -6.995 4.293 758 H GLU 9 H GLU 9 -0.462 -5.179 8.780 759 HA GLU 9 HA GLU 9 -2.478 -7.082 8.173 760 HB2 GLU 9 2HB GLU 9 -1.674 -5.818 10.800 761 HB3 GLU 9 1HB GLU 9 -2.856 -7.119 10.654 762 HG2 GLU 9 2HG GLU 9 -1.144 -8.531 9.552 763 HG3 GLU 9 1HG GLU 9 0.038 -7.246 9.757 764 H THR 10 H THR 10 -2.522 -3.699 9.230 765 HA THR 10 HA THR 10 -5.315 -3.590 9.718 766 HB THR 10 HB THR 10 -3.521 -1.374 8.736 767 HG1 THR 10 1HG THR 10 -4.200 -1.471 11.374 768 HG21 THR 10 3HG2 THR 10 -5.982 -0.953 8.563 769 HG22 THR 10 1HG2 THR 10 -5.193 0.104 9.738 770 HG23 THR 10 2HG2 THR 10 -6.123 -1.286 10.292 771 H LEU 11 H LEU 11 -3.367 -3.047 6.759 772 HA LEU 11 HA LEU 11 -5.505 -2.198 5.122 773 HB2 LEU 11 2HB LEU 11 -3.175 -3.929 4.248 774 HB3 LEU 11 1HB LEU 11 -4.170 -2.911 3.215 775 HG LEU 11 HG LEU 11 -2.234 -2.002 5.352 776 HD11 LEU 11 1HD1 LEU 11 -2.326 -1.734 2.347 777 HD12 LEU 11 2HD1 LEU 11 -1.125 -2.594 3.310 778 HD13 LEU 11 3HD1 LEU 11 -1.208 -0.833 3.372 779 HD21 LEU 11 3HD2 LEU 11 -4.344 -0.481 3.829 780 HD22 LEU 11 1HD2 LEU 11 -2.858 0.313 4.343 781 HD23 LEU 11 2HD2 LEU 11 -3.935 -0.387 5.546 782 H ILE 12 H ILE 12 -4.211 -5.371 5.943 783 HA ILE 12 HA ILE 12 -5.979 -6.894 4.333 784 HB ILE 12 HB ILE 12 -4.553 -7.628 6.895 785 HG12 ILE 12 2HG1 ILE 12 -3.894 -8.281 4.012 786 HG13 ILE 12 1HG1 ILE 12 -3.161 -6.953 4.882 787 HG21 ILE 12 1HG2 ILE 12 -4.926 -9.977 6.049 788 HG22 ILE 12 2HG2 ILE 12 -6.049 -9.305 4.866 789 HG23 ILE 12 3HG2 ILE 12 -6.389 -9.153 6.591 790 HD11 ILE 12 3HD1 ILE 12 -3.105 -9.743 6.012 791 HD12 ILE 12 1HD1 ILE 12 -2.023 -8.393 6.358 792 HD13 ILE 12 2HD1 ILE 12 -1.913 -9.239 4.812 793 H ASN 13 H ASN 13 -6.244 -5.861 7.723 794 HA ASN 13 HA ASN 13 -8.613 -7.233 8.320 795 HB2 ASN 13 2HB ASN 13 -7.501 -4.662 9.438 796 HB3 ASN 13 1HB ASN 13 -8.851 -5.549 10.145 797 HD21 ASN 13 1HD2 ASN 13 -6.420 -5.166 11.602 798 HD22 ASN 13 2HD2 ASN 13 -5.658 -6.672 11.778 799 H VAL 14 H VAL 14 -8.162 -3.948 6.955 800 HA VAL 14 HA VAL 14 -10.988 -3.462 7.038 801 HB VAL 14 HB VAL 14 -10.584 -1.428 5.782 802 HG11 VAL 14 1HG1 VAL 14 -8.239 -1.675 7.657 803 HG12 VAL 14 2HG1 VAL 14 -9.888 -1.764 8.273 804 HG13 VAL 14 3HG1 VAL 14 -9.338 -0.315 7.432 805 HG21 VAL 14 3HG2 VAL 14 -7.695 -2.264 5.568 806 HG22 VAL 14 1HG2 VAL 14 -8.452 -0.844 4.863 807 HG23 VAL 14 2HG2 VAL 14 -8.839 -2.446 4.240 808 H PHE 15 H PHE 15 -8.729 -4.702 4.579 809 HA PHE 15 HA PHE 15 -10.589 -4.706 2.467 810 HB2 PHE 15 2HB PHE 15 -8.231 -5.129 2.010 811 HB3 PHE 15 1HB PHE 15 -8.330 -6.655 2.902 812 HD1 PHE 15 1HD PHE 15 -9.909 -4.811 0.035 813 HD2 PHE 15 2HD PHE 15 -9.041 -8.608 1.844 814 HE1 PHE 15 1HE PHE 15 -10.871 -5.974 -1.941 815 HE2 PHE 15 2HE PHE 15 -9.966 -9.764 -0.136 816 HZ PHE 15 HZ PHE 15 -10.884 -8.452 -2.030 817 H HIS 16 H HIS 16 -9.893 -7.021 4.987 818 HA HIS 16 HA HIS 16 -11.805 -8.912 4.086 819 HB2 HIS 16 2HB HIS 16 -9.948 -9.559 5.599 820 HB3 HIS 16 1HB HIS 16 -10.652 -8.546 6.861 821 HD1 HIS 16 1HD HIS 16 -11.826 -11.401 4.598 822 HD2 HIS 16 2HD HIS 16 -12.357 -9.974 8.479 823 HE1 HIS 16 1HE HIS 16 -13.364 -13.041 5.763 824 HE2 HIS 16 2HE HIS 16 -13.698 -12.186 8.128 825 H ALA 17 H ALA 17 -11.898 -6.133 6.189 826 HA ALA 17 HA ALA 17 -14.367 -6.667 7.374 827 HB1 ALA 17 1HB ALA 17 -14.480 -4.357 7.911 828 HB2 ALA 17 2HB ALA 17 -13.481 -3.897 6.526 829 HB3 ALA 17 3HB ALA 17 -12.764 -4.754 7.904 830 H HIS 18 H HIS 18 -13.701 -4.811 4.326 831 HA HIS 18 HA HIS 18 -16.626 -4.760 3.986 832 HB2 HIS 18 2HB HIS 18 -16.295 -3.499 1.916 833 HB3 HIS 18 1HB HIS 18 -15.501 -2.763 3.299 834 HD1 HIS 18 1HD HIS 18 -14.428 -1.971 0.576 835 HD2 HIS 18 2HD HIS 18 -13.043 -5.182 2.748 836 HE1 HIS 18 1HE HIS 18 -12.072 -2.443 -0.253 837 HE2 HIS 18 2HE HIS 18 -11.297 -4.521 0.936 838 H SER 19 H SER 19 -13.932 -6.400 2.134 839 HA SER 19 HA SER 19 -15.745 -7.552 0.297 840 HB2 SER 19 2HB SER 19 -13.295 -7.558 -0.048 841 HB3 SER 19 1HB SER 19 -13.137 -8.752 1.228 842 HG SER 19 HG SER 19 -15.033 -9.466 -0.602 843 H GLY 20 H GLY 20 -14.599 -8.598 3.474 844 HA2 GLY 20 2HA GLY 20 -15.980 -11.112 3.481 845 HA3 GLY 20 1HA GLY 20 -15.223 -10.346 4.849 846 H LYS 21 H LYS 21 -16.670 -7.926 4.949 847 HA LYS 21 HA LYS 21 -18.974 -8.723 6.356 848 HB2 LYS 21 2HB LYS 21 -17.879 -6.584 6.687 849 HB3 LYS 21 1HB LYS 21 -18.363 -6.051 5.075 850 HG2 LYS 21 2HG LYS 21 -20.741 -6.307 5.810 851 HG3 LYS 21 1HG LYS 21 -20.158 -6.730 7.416 852 HD2 LYS 21 2HD LYS 21 -20.627 -4.355 7.397 853 HD3 LYS 21 1HD LYS 21 -18.887 -4.571 7.469 854 HE2 LYS 21 2HE LYS 21 -19.948 -4.463 4.717 855 HE3 LYS 21 1HE LYS 21 -20.209 -2.980 5.638 856 HZ1 LYS 21 3HZ LYS 21 -17.928 -3.593 4.380 857 HZ2 LYS 21 1HZ LYS 21 -17.585 -4.150 5.945 858 HZ3 LYS 21 2HZ LYS 21 -18.035 -2.530 5.701 859 H GLU 22 H GLU 22 -18.650 -7.534 2.986 860 HA GLU 22 HA GLU 22 -21.326 -8.699 2.479 861 HB2 GLU 22 2HB GLU 22 -20.354 -6.031 1.487 862 HB3 GLU 22 1HB GLU 22 -21.799 -6.842 0.888 863 HG2 GLU 22 2HG GLU 22 -22.696 -6.856 3.210 864 HG3 GLU 22 1HG GLU 22 -21.278 -5.962 3.725 865 H GLY 23 H GLY 23 -21.616 -9.668 0.467 866 HA2 GLY 23 2HA GLY 23 -21.048 -10.571 -1.579 867 HA3 GLY 23 1HA GLY 23 -19.760 -9.376 -1.682 868 H ASP 24 H ASP 24 -18.563 -11.179 -2.671 869 HA ASP 24 HA ASP 24 -17.802 -13.448 -1.105 870 HB2 ASP 24 2HB ASP 24 -16.526 -12.189 -3.538 871 HB3 ASP 24 1HB ASP 24 -16.000 -13.705 -2.822 872 H LYS 25 H LYS 25 -15.976 -13.758 0.117 873 HA LYS 25 HA LYS 25 -15.037 -11.591 1.586 874 HB2 LYS 25 2HB LYS 25 -13.716 -14.281 1.270 875 HB3 LYS 25 1HB LYS 25 -13.442 -13.126 2.580 876 HG2 LYS 25 2HG LYS 25 -15.899 -13.298 3.170 877 HG3 LYS 25 1HG LYS 25 -16.060 -14.583 1.979 878 HD2 LYS 25 2HD LYS 25 -14.155 -14.628 4.341 879 HD3 LYS 25 1HD LYS 25 -15.701 -15.470 4.271 880 HE2 LYS 25 2HE LYS 25 -13.187 -16.010 2.704 881 HE3 LYS 25 1HE LYS 25 -14.175 -17.136 3.633 882 HZ1 LYS 25 3HZ LYS 25 -14.831 -17.633 1.521 883 HZ2 LYS 25 1HZ LYS 25 -14.615 -16.052 0.946 884 HZ3 LYS 25 2HZ LYS 25 -15.973 -16.432 1.895 885 H TYR 26 H TYR 26 -13.697 -13.042 -1.307 886 HA TYR 26 HA TYR 26 -11.360 -11.255 -1.082 887 HB2 TYR 26 2HB TYR 26 -11.786 -13.727 -2.753 888 HB3 TYR 26 1HB TYR 26 -10.343 -12.714 -2.811 889 HD1 TYR 26 2HD TYR 26 -8.943 -12.419 -0.761 890 HD2 TYR 26 1HD TYR 26 -12.141 -15.280 -0.959 891 HE1 TYR 26 2HE TYR 26 -8.016 -13.589 1.216 892 HE2 TYR 26 1HE TYR 26 -11.212 -16.452 1.020 893 HH TYR 26 HH TYR 26 -8.685 -15.079 2.942 894 H LYS 27 H LYS 27 -14.192 -10.551 -2.209 895 HA LYS 27 HA LYS 27 -13.033 -9.283 -4.610 896 HB2 LYS 27 2HB LYS 27 -14.315 -11.429 -5.243 897 HB3 LYS 27 1HB LYS 27 -15.762 -10.535 -4.790 898 HG2 LYS 27 2HG LYS 27 -15.568 -10.168 -7.114 899 HG3 LYS 27 1HG LYS 27 -14.923 -8.699 -6.380 900 HD2 LYS 27 2HD LYS 27 -12.656 -9.367 -6.792 901 HD3 LYS 27 1HD LYS 27 -13.131 -11.022 -7.151 902 HE2 LYS 27 2HE LYS 27 -13.586 -8.545 -8.824 903 HE3 LYS 27 1HE LYS 27 -12.641 -9.967 -9.237 904 HZ1 LYS 27 3HZ LYS 27 -15.582 -9.914 -8.833 905 HZ2 LYS 27 1HZ LYS 27 -14.662 -11.288 -9.202 906 HZ3 LYS 27 2HZ LYS 27 -14.783 -10.022 -10.326 907 H LEU 28 H LEU 28 -13.802 -7.198 -5.012 908 HA LEU 28 HA LEU 28 -15.718 -6.232 -2.982 909 HB2 LEU 28 2HB LEU 28 -13.253 -5.582 -2.859 910 HB3 LEU 28 1HB LEU 28 -13.539 -4.687 -4.302 911 HG LEU 28 HG LEU 28 -15.329 -3.391 -3.158 912 HD11 LEU 28 1HD1 LEU 28 -15.845 -4.872 -1.228 913 HD12 LEU 28 2HD1 LEU 28 -15.286 -3.317 -0.691 914 HD13 LEU 28 3HD1 LEU 28 -14.193 -4.694 -0.643 915 HD21 LEU 28 3HD2 LEU 28 -13.601 -2.150 -1.734 916 HD22 LEU 28 1HD2 LEU 28 -13.211 -2.366 -3.438 917 HD23 LEU 28 2HD2 LEU 28 -12.463 -3.391 -2.225 918 H SER 29 H SER 29 -17.524 -5.221 -3.652 919 HA SER 29 HA SER 29 -17.742 -4.564 -6.516 920 HB2 SER 29 2HB SER 29 -20.107 -4.867 -6.297 921 HB3 SER 29 1HB SER 29 -19.323 -6.257 -5.571 922 HG SER 29 HG SER 29 -19.813 -4.078 -3.928 923 H LYS 30 H LYS 30 -19.187 -2.676 -7.011 924 HA LYS 30 HA LYS 30 -18.071 -0.323 -6.124 925 HB2 LYS 30 2HB LYS 30 -19.555 -0.553 -8.096 926 HB3 LYS 30 1HB LYS 30 -20.931 -0.684 -7.001 927 HG2 LYS 30 2HG LYS 30 -20.310 1.566 -6.048 928 HG3 LYS 30 1HG LYS 30 -19.061 1.684 -7.286 929 HD2 LYS 30 2HD LYS 30 -21.026 2.832 -8.082 930 HD3 LYS 30 1HD LYS 30 -20.843 1.349 -9.021 931 HE2 LYS 30 2HE LYS 30 -22.462 1.108 -6.518 932 HE3 LYS 30 1HE LYS 30 -23.183 2.059 -7.825 933 HZ1 LYS 30 3HZ LYS 30 -23.532 0.244 -9.034 934 HZ2 LYS 30 1HZ LYS 30 -23.201 -0.651 -7.632 935 HZ3 LYS 30 2HZ LYS 30 -21.966 -0.357 -8.763 936 H LYS 31 H LYS 31 -21.116 -1.772 -5.014 937 HA LYS 31 HA LYS 31 -21.822 0.283 -3.266 938 HB2 LYS 31 2HB LYS 31 -23.310 -1.340 -2.248 939 HB3 LYS 31 1HB LYS 31 -23.280 -1.621 -3.992 940 HG2 LYS 31 2HG LYS 31 -21.504 -3.351 -3.609 941 HG3 LYS 31 1HG LYS 31 -21.754 -3.150 -1.878 942 HD2 LYS 31 2HD LYS 31 -24.112 -3.635 -2.216 943 HD3 LYS 31 1HD LYS 31 -23.782 -4.092 -3.879 944 HE2 LYS 31 2HE LYS 31 -22.321 -5.873 -3.147 945 HE3 LYS 31 1HE LYS 31 -22.395 -5.317 -1.476 946 HZ1 LYS 31 3HZ LYS 31 -24.876 -6.030 -2.881 947 HZ2 LYS 31 1HZ LYS 31 -24.533 -6.072 -1.221 948 HZ3 LYS 31 2HZ LYS 31 -23.891 -7.263 -2.250 949 H GLU 32 H GLU 32 -20.018 -2.731 -2.703 950 HA GLU 32 HA GLU 32 -19.616 -2.368 0.049 951 HB2 GLU 32 2HB GLU 32 -17.773 -3.755 -1.915 952 HB3 GLU 32 1HB GLU 32 -17.752 -3.946 -0.161 953 HG2 GLU 32 2HG GLU 32 -20.116 -4.719 -0.259 954 HG3 GLU 32 1HG GLU 32 -20.036 -4.644 -2.007 955 H LEU 33 H LEU 33 -17.270 -1.439 -2.633 956 HA LEU 33 HA LEU 33 -15.467 -0.303 -0.752 957 HB2 LEU 33 2HB LEU 33 -14.847 1.372 -2.641 958 HB3 LEU 33 1HB LEU 33 -14.383 -0.279 -2.769 959 HG LEU 33 HG LEU 33 -16.986 -0.111 -3.937 960 HD11 LEU 33 1HD1 LEU 33 -15.028 2.003 -4.932 961 HD12 LEU 33 2HD1 LEU 33 -16.660 2.276 -4.314 962 HD13 LEU 33 3HD1 LEU 33 -16.421 1.450 -5.848 963 HD21 LEU 33 3HD2 LEU 33 -14.182 -0.621 -4.978 964 HD22 LEU 33 1HD2 LEU 33 -15.572 -0.664 -6.050 965 HD23 LEU 33 2HD2 LEU 33 -15.464 -1.796 -4.705 966 H LYS 34 H LYS 34 -18.348 1.023 -2.316 967 HA LYS 34 HA LYS 34 -17.962 3.671 -1.558 968 HB2 LYS 34 2HB LYS 34 -19.881 2.850 -2.942 969 HB3 LYS 34 1HB LYS 34 -20.592 2.166 -1.483 970 HG2 LYS 34 2HG LYS 34 -21.653 4.268 -1.720 971 HG3 LYS 34 1HG LYS 34 -20.418 4.545 -0.495 972 HD2 LYS 34 2HD LYS 34 -18.932 5.539 -2.146 973 HD3 LYS 34 1HD LYS 34 -20.039 5.121 -3.443 974 HE2 LYS 34 2HE LYS 34 -20.235 7.280 -1.405 975 HE3 LYS 34 1HE LYS 34 -20.631 7.315 -3.118 976 HZ1 LYS 34 3HZ LYS 34 -22.607 6.062 -2.701 977 HZ2 LYS 34 1HZ LYS 34 -22.595 7.400 -1.659 978 HZ3 LYS 34 2HZ LYS 34 -22.199 5.858 -1.064 979 H GLU 35 H GLU 35 -19.007 0.846 0.302 980 HA GLU 35 HA GLU 35 -19.642 2.381 2.648 981 HB2 GLU 35 2HB GLU 35 -19.135 -0.568 2.231 982 HB3 GLU 35 1HB GLU 35 -19.666 0.141 3.756 983 HG2 GLU 35 2HG GLU 35 -21.148 0.365 1.120 984 HG3 GLU 35 1HG GLU 35 -21.574 -0.731 2.431 985 H LEU 36 H LEU 36 -16.766 0.442 1.633 986 HA LEU 36 HA LEU 36 -15.477 0.760 4.150 987 HB2 LEU 36 2HB LEU 36 -14.814 -0.893 2.304 988 HB3 LEU 36 1HB LEU 36 -13.949 0.455 1.553 989 HG LEU 36 HG LEU 36 -13.539 -0.370 4.478 990 HD11 LEU 36 1HD1 LEU 36 -12.094 -1.303 2.023 991 HD12 LEU 36 2HD1 LEU 36 -12.799 -2.268 3.317 992 HD13 LEU 36 3HD1 LEU 36 -11.350 -1.325 3.610 993 HD21 LEU 36 3HD2 LEU 36 -11.213 0.780 3.642 994 HD22 LEU 36 1HD2 LEU 36 -12.520 1.659 4.402 995 HD23 LEU 36 2HD2 LEU 36 -12.364 1.662 2.656 996 H LEU 37 H LEU 37 -15.086 2.654 1.102 997 HA LEU 37 HA LEU 37 -13.053 4.289 2.141 998 HB2 LEU 37 2HB LEU 37 -15.100 4.802 -0.010 999 HB3 LEU 37 1HB LEU 37 -13.940 6.031 0.465 1000 HG LEU 37 HG LEU 37 -13.263 4.605 -1.527 1001 HD11 LEU 37 1HD1 LEU 37 -10.994 4.701 -0.977 1002 HD12 LEU 37 2HD1 LEU 37 -11.272 4.210 0.693 1003 HD13 LEU 37 3HD1 LEU 37 -11.699 5.839 0.170 1004 HD21 LEU 37 3HD2 LEU 37 -12.391 2.369 -1.079 1005 HD22 LEU 37 1HD2 LEU 37 -14.091 2.453 -0.651 1006 HD23 LEU 37 2HD2 LEU 37 -12.868 2.501 0.607 1007 H GLN 38 H GLN 38 -16.581 4.666 2.253 1008 HA GLN 38 HA GLN 38 -16.537 7.173 3.562 1009 HB2 GLN 38 2HB GLN 38 -18.630 4.996 3.517 1010 HB3 GLN 38 1HB GLN 38 -18.880 6.592 4.223 1011 HG2 GLN 38 2HG GLN 38 -18.417 7.654 2.063 1012 HG3 GLN 38 1HG GLN 38 -18.090 6.084 1.327 1013 HE21 GLN 38 1HE2 GLN 38 -20.190 7.806 0.371 1014 HE22 GLN 38 2HE2 GLN 38 -21.675 7.048 0.687 1015 H THR 39 H THR 39 -16.510 3.836 4.804 1016 HA THR 39 HA THR 39 -16.829 4.611 7.537 1017 HB THR 39 HB THR 39 -16.217 2.303 8.058 1018 HG1 THR 39 1HG THR 39 -15.653 2.137 5.287 1019 HG21 THR 39 3HG2 THR 39 -17.834 1.342 6.055 1020 HG22 THR 39 1HG2 THR 39 -18.250 3.056 6.054 1021 HG23 THR 39 2HG2 THR 39 -18.419 2.108 7.530 1022 H GLU 40 H GLU 40 -13.949 4.106 5.525 1023 HA GLU 40 HA GLU 40 -12.247 4.544 7.894 1024 HB2 GLU 40 2HB GLU 40 -11.598 3.613 5.101 1025 HB3 GLU 40 1HB GLU 40 -10.399 3.925 6.341 1026 HG2 GLU 40 2HG GLU 40 -12.685 1.963 6.655 1027 HG3 GLU 40 1HG GLU 40 -11.039 1.512 6.214 1028 H LEU 41 H LEU 41 -12.330 5.674 4.492 1029 HA LEU 41 HA LEU 41 -10.855 8.071 5.326 1030 HB2 LEU 41 2HB LEU 41 -11.626 7.232 2.525 1031 HB3 LEU 41 1HB LEU 41 -10.458 8.461 2.984 1032 HG LEU 41 HG LEU 41 -10.213 5.471 3.405 1033 HD11 LEU 41 1HD1 LEU 41 -9.687 6.813 1.153 1034 HD12 LEU 41 2HD1 LEU 41 -8.657 5.493 1.701 1035 HD13 LEU 41 3HD1 LEU 41 -8.185 7.164 2.003 1036 HD21 LEU 41 3HD2 LEU 41 -8.604 7.773 4.501 1037 HD22 LEU 41 1HD2 LEU 41 -7.835 6.223 4.170 1038 HD23 LEU 41 2HD2 LEU 41 -9.158 6.310 5.327 1039 H SER 42 H SER 42 -11.583 10.130 5.089 1040 HA SER 42 HA SER 42 -14.476 10.398 4.510 1041 HB2 SER 42 2HB SER 42 -14.481 12.311 5.990 1042 HB3 SER 42 1HB SER 42 -13.759 10.945 6.838 1043 HG SER 42 HG SER 42 -12.701 13.257 6.592 1044 H GLY 43 H GLY 43 -11.863 12.765 4.706 1045 HA2 GLY 43 2HA GLY 43 -12.785 14.417 2.677 1046 HA3 GLY 43 1HA GLY 43 -11.136 14.386 3.271 1047 H PHE 44 H PHE 44 -10.537 11.641 2.365 1048 HA PHE 44 HA PHE 44 -9.582 12.280 -0.195 1049 HB2 PHE 44 2HB PHE 44 -10.025 9.587 1.093 1050 HB3 PHE 44 1HB PHE 44 -9.173 9.813 -0.427 1051 HD1 PHE 44 1HD PHE 44 -7.035 11.042 -0.510 1052 HD2 PHE 44 2HD PHE 44 -9.009 10.204 3.224 1053 HE1 PHE 44 1HE PHE 44 -4.950 11.580 0.721 1054 HE2 PHE 44 2HE PHE 44 -6.923 10.744 4.443 1055 HZ PHE 44 HZ PHE 44 -4.895 11.431 3.195 1056 H LEU 45 H LEU 45 -12.220 9.957 0.565 1057 HA LEU 45 HA LEU 45 -12.980 9.741 -2.192 1058 HB2 LEU 45 2HB LEU 45 -13.321 8.129 -0.107 1059 HB3 LEU 45 1HB LEU 45 -14.828 9.017 0.049 1060 HG LEU 45 HG LEU 45 -15.318 7.089 -1.291 1061 HD11 LEU 45 1HD1 LEU 45 -14.898 9.309 -3.307 1062 HD12 LEU 45 2HD1 LEU 45 -16.207 9.314 -2.123 1063 HD13 LEU 45 3HD1 LEU 45 -16.117 8.037 -3.339 1064 HD21 LEU 45 3HD2 LEU 45 -13.264 7.788 -3.365 1065 HD22 LEU 45 1HD2 LEU 45 -13.979 6.225 -2.977 1066 HD23 LEU 45 2HD2 LEU 45 -12.750 6.916 -1.921 1067 H ASP 46 H ASP 46 -14.156 11.470 0.611 1068 HA ASP 46 HA ASP 46 -16.508 12.584 -0.447 1069 HB2 ASP 46 2HB ASP 46 -15.940 12.476 1.965 1070 HB3 ASP 46 1HB ASP 46 -14.744 13.747 1.707 1071 H ALA 47 H ALA 47 -13.170 13.615 -0.729 1072 HA ALA 47 HA ALA 47 -13.482 16.305 -1.256 1073 HB1 ALA 47 1HB ALA 47 -11.507 14.273 -2.263 1074 HB2 ALA 47 2HB ALA 47 -11.281 15.523 -1.038 1075 HB3 ALA 47 3HB ALA 47 -11.405 15.970 -2.739 1076 H GLN 48 H GLN 48 -14.044 13.600 -3.472 1077 HA GLN 48 HA GLN 48 -14.168 15.169 -5.832 1078 HB2 GLN 48 2HB GLN 48 -15.680 12.608 -5.230 1079 HB3 GLN 48 1HB GLN 48 -15.415 13.317 -6.824 1080 HG2 GLN 48 2HG GLN 48 -13.299 12.201 -4.957 1081 HG3 GLN 48 1HG GLN 48 -13.776 11.572 -6.524 1082 HE21 GLN 48 1HE2 GLN 48 -11.404 13.369 -5.044 1083 HE22 GLN 48 2HE2 GLN 48 -10.862 14.261 -6.387 1084 H LYS 49 H LYS 49 -16.473 14.388 -3.332 1085 HA LYS 49 HA LYS 49 -18.492 15.259 -2.729 1086 HB2 LYS 49 2HB LYS 49 -17.586 17.528 -4.504 1087 HB3 LYS 49 1HB LYS 49 -18.970 17.593 -3.415 1088 HG2 LYS 49 2HG LYS 49 -17.448 17.044 -1.512 1089 HG3 LYS 49 1HG LYS 49 -16.081 17.121 -2.626 1090 HD2 LYS 49 2HD LYS 49 -16.729 19.470 -3.188 1091 HD3 LYS 49 1HD LYS 49 -17.991 19.380 -1.958 1092 HE2 LYS 49 2HE LYS 49 -16.334 19.000 -0.216 1093 HE3 LYS 49 1HE LYS 49 -15.043 18.925 -1.415 1094 HZ1 LYS 49 3HZ LYS 49 -16.633 21.258 -0.560 1095 HZ2 LYS 49 1HZ LYS 49 -15.849 21.248 -2.065 1096 HZ3 LYS 49 2HZ LYS 49 -14.944 21.089 -0.636 1097 H ASP 50 H ASP 50 -18.506 13.442 -4.990 1098 HA ASP 50 HA ASP 50 -21.095 14.261 -6.108 1099 HB2 ASP 50 2HB ASP 50 -18.742 13.392 -7.806 1100 HB3 ASP 50 1HB ASP 50 -20.402 13.481 -8.382 1101 H VAL 51 H VAL 51 -22.424 12.501 -6.715 1102 HA VAL 51 HA VAL 51 -21.824 10.027 -5.368 1103 HB VAL 51 HB VAL 51 -23.977 9.263 -6.095 1104 HG11 VAL 51 1HG1 VAL 51 -23.701 11.331 -4.477 1105 HG12 VAL 51 2HG1 VAL 51 -25.303 10.822 -5.009 1106 HG13 VAL 51 3HG1 VAL 51 -24.512 12.193 -5.784 1107 HG21 VAL 51 3HG2 VAL 51 -23.992 11.612 -8.025 1108 HG22 VAL 51 1HG2 VAL 51 -25.330 10.503 -7.753 1109 HG23 VAL 51 2HG2 VAL 51 -23.835 9.914 -8.472 1110 H ASP 52 H ASP 52 -21.681 11.279 -8.595 1111 HA ASP 52 HA ASP 52 -21.305 8.901 -10.064 1112 HB2 ASP 52 2HB ASP 52 -20.374 11.733 -10.569 1113 HB3 ASP 52 1HB ASP 52 -20.231 10.426 -11.742 1114 H ALA 53 H ALA 53 -19.200 10.858 -8.119 1115 HA ALA 53 HA ALA 53 -16.703 10.213 -9.070 1116 HB1 ALA 53 1HB ALA 53 -15.868 10.740 -6.866 1117 HB2 ALA 53 2HB ALA 53 -17.461 10.473 -6.160 1118 HB3 ALA 53 3HB ALA 53 -17.200 11.828 -7.253 1119 H VAL 54 H VAL 54 -18.754 8.211 -6.908 1120 HA VAL 54 HA VAL 54 -16.715 6.349 -6.287 1121 HB VAL 54 HB VAL 54 -18.962 6.442 -5.164 1122 HG11 VAL 54 1HG1 VAL 54 -20.003 4.768 -7.436 1123 HG12 VAL 54 2HG1 VAL 54 -20.086 6.522 -7.553 1124 HG13 VAL 54 3HG1 VAL 54 -20.902 5.692 -6.231 1125 HG21 VAL 54 3HG2 VAL 54 -17.896 3.879 -6.354 1126 HG22 VAL 54 1HG2 VAL 54 -19.243 3.877 -5.220 1127 HG23 VAL 54 2HG2 VAL 54 -17.672 4.501 -4.718 1128 H ASP 55 H ASP 55 -19.060 6.500 -8.945 1129 HA ASP 55 HA ASP 55 -18.353 4.070 -10.188 1130 HB2 ASP 55 2HB ASP 55 -19.463 6.647 -11.286 1131 HB3 ASP 55 1HB ASP 55 -19.320 5.171 -12.239 1132 H LYS 56 H LYS 56 -17.187 7.397 -10.584 1133 HA LYS 56 HA LYS 56 -15.385 6.877 -12.700 1134 HB2 LYS 56 2HB LYS 56 -15.291 8.971 -10.514 1135 HB3 LYS 56 1HB LYS 56 -14.267 8.972 -11.950 1136 HG2 LYS 56 2HG LYS 56 -16.324 8.997 -13.367 1137 HG3 LYS 56 1HG LYS 56 -17.295 9.124 -11.900 1138 HD2 LYS 56 2HD LYS 56 -16.051 11.212 -11.311 1139 HD3 LYS 56 1HD LYS 56 -15.213 11.109 -12.860 1140 HE2 LYS 56 2HE LYS 56 -18.148 11.587 -12.348 1141 HE3 LYS 56 1HE LYS 56 -17.023 12.572 -13.283 1142 HZ1 LYS 56 3HZ LYS 56 -18.441 10.147 -14.039 1143 HZ2 LYS 56 1HZ LYS 56 -16.845 10.284 -14.598 1144 HZ3 LYS 56 2HZ LYS 56 -17.985 11.482 -14.986 1145 H VAL 57 H VAL 57 -15.066 6.717 -9.198 1146 HA VAL 57 HA VAL 57 -12.285 6.296 -9.119 1147 HB VAL 57 HB VAL 57 -14.479 5.658 -7.137 1148 HG11 VAL 57 1HG1 VAL 57 -12.364 5.592 -5.582 1149 HG12 VAL 57 2HG1 VAL 57 -11.506 5.174 -7.065 1150 HG13 VAL 57 3HG1 VAL 57 -12.813 4.143 -6.481 1151 HG21 VAL 57 3HG2 VAL 57 -13.874 7.681 -6.136 1152 HG22 VAL 57 1HG2 VAL 57 -13.685 8.062 -7.848 1153 HG23 VAL 57 2HG2 VAL 57 -12.269 7.681 -6.868 1154 H MET 58 H MET 58 -14.988 3.916 -9.157 1155 HA MET 58 HA MET 58 -13.196 1.734 -8.846 1156 HB2 MET 58 2HB MET 58 -14.968 0.261 -9.189 1157 HB3 MET 58 1HB MET 58 -15.682 1.659 -8.404 1158 HG2 MET 58 2HG MET 58 -17.130 1.906 -10.119 1159 HG3 MET 58 1HG MET 58 -15.809 2.036 -11.263 1160 HE1 MET 58 3HE MET 58 -18.233 -1.362 -9.771 1161 HE2 MET 58 1HE MET 58 -17.309 -0.186 -8.827 1162 HE3 MET 58 2HE MET 58 -16.583 -1.732 -9.274 1163 H LYS 59 H LYS 59 -14.213 3.413 -11.784 1164 HA LYS 59 HA LYS 59 -13.501 1.397 -13.607 1165 HB2 LYS 59 2HB LYS 59 -13.391 4.389 -14.017 1166 HB3 LYS 59 1HB LYS 59 -13.292 3.183 -15.299 1167 HG2 LYS 59 2HG LYS 59 -15.635 3.469 -13.429 1168 HG3 LYS 59 1HG LYS 59 -15.554 4.093 -15.072 1169 HD2 LYS 59 2HD LYS 59 -14.794 1.530 -15.540 1170 HD3 LYS 59 1HD LYS 59 -15.805 1.281 -14.116 1171 HE2 LYS 59 2HE LYS 59 -17.568 2.678 -15.272 1172 HE3 LYS 59 1HE LYS 59 -16.549 2.584 -16.710 1173 HZ1 LYS 59 3HZ LYS 59 -18.384 0.841 -16.416 1174 HZ2 LYS 59 1HZ LYS 59 -17.359 0.145 -15.258 1175 HZ3 LYS 59 2HZ LYS 59 -16.837 0.301 -16.868 1176 H GLU 60 H GLU 60 -11.419 3.932 -12.166 1177 HA GLU 60 HA GLU 60 -9.183 3.164 -13.790 1178 HB2 GLU 60 2HB GLU 60 -7.897 4.704 -12.546 1179 HB3 GLU 60 1HB GLU 60 -9.506 5.416 -12.624 1180 HG2 GLU 60 2HG GLU 60 -9.991 4.427 -10.379 1181 HG3 GLU 60 1HG GLU 60 -8.320 3.881 -10.295 1182 H LEU 61 H LEU 61 -10.383 2.256 -10.621 1183 HA LEU 61 HA LEU 61 -8.097 0.770 -9.811 1184 HB2 LEU 61 2HB LEU 61 -10.976 0.421 -8.958 1185 HB3 LEU 61 1HB LEU 61 -9.574 -0.245 -8.134 1186 HG LEU 61 HG LEU 61 -10.199 2.695 -8.482 1187 HD11 LEU 61 1HD1 LEU 61 -9.938 1.265 -5.860 1188 HD12 LEU 61 2HD1 LEU 61 -11.439 1.095 -6.770 1189 HD13 LEU 61 3HD1 LEU 61 -10.894 2.691 -6.264 1190 HD21 LEU 61 3HD2 LEU 61 -7.851 2.663 -8.427 1191 HD22 LEU 61 1HD2 LEU 61 -7.804 1.226 -7.399 1192 HD23 LEU 61 2HD2 LEU 61 -8.267 2.782 -6.734 1193 H ASP 62 H ASP 62 -10.956 -0.060 -11.679 1194 HA ASP 62 HA ASP 62 -10.454 -2.858 -11.527 1195 HB2 ASP 62 2HB ASP 62 -12.650 -1.784 -12.121 1196 HB3 ASP 62 1HB ASP 62 -11.956 -1.430 -13.704 1197 H GLU 63 H GLU 63 -8.120 -2.813 -11.950 1198 HA GLU 63 HA GLU 63 -7.107 -2.119 -14.546 1199 HB2 GLU 63 2HB GLU 63 -5.616 -2.480 -12.596 1200 HB3 GLU 63 1HB GLU 63 -6.081 -4.182 -12.569 1201 HG2 GLU 63 2HG GLU 63 -5.227 -4.448 -14.867 1202 HG3 GLU 63 1HG GLU 63 -4.731 -2.767 -14.875 1203 H ASN 64 H ASN 64 -8.442 -4.816 -12.991 1204 HA ASN 64 HA ASN 64 -8.138 -6.844 -14.838 1205 HB2 ASN 64 2HB ASN 64 -8.725 -7.085 -12.505 1206 HB3 ASN 64 1HB ASN 64 -10.223 -6.226 -12.777 1207 HD21 ASN 64 1HD2 ASN 64 -8.574 -9.102 -14.221 1208 HD22 ASN 64 2HD2 ASN 64 -9.984 -10.046 -14.240 1209 H GLY 65 H GLY 65 -10.677 -4.366 -14.544 1210 HA2 GLY 65 2HA GLY 65 -11.982 -3.504 -16.286 1211 HA3 GLY 65 1HA GLY 65 -11.432 -4.814 -17.320 1212 H ASP 66 H ASP 66 -12.564 -5.904 -14.282 1213 HA ASP 66 HA ASP 66 -14.934 -7.020 -15.578 1214 HB2 ASP 66 2HB ASP 66 -15.082 -8.451 -13.596 1215 HB3 ASP 66 1HB ASP 66 -13.457 -8.498 -14.279 1216 H GLY 67 H GLY 67 -14.454 -4.153 -14.138 1217 HA2 GLY 67 2HA GLY 67 -15.930 -2.575 -13.309 1218 HA3 GLY 67 1HA GLY 67 -17.228 -3.739 -13.571 1219 H GLU 68 H GLU 68 -14.909 -5.272 -11.903 1220 HA GLU 68 HA GLU 68 -16.090 -4.719 -9.230 1221 HB2 GLU 68 2HB GLU 68 -16.589 -6.952 -10.360 1222 HB3 GLU 68 1HB GLU 68 -14.871 -7.300 -10.231 1223 HG2 GLU 68 2HG GLU 68 -15.943 -8.295 -8.337 1224 HG3 GLU 68 1HG GLU 68 -15.079 -6.881 -7.739 1225 H VAL 69 H VAL 69 -14.640 -4.487 -7.533 1226 HA VAL 69 HA VAL 69 -11.862 -4.019 -8.357 1227 HB VAL 69 HB VAL 69 -13.360 -3.201 -5.866 1228 HG11 VAL 69 1HG1 VAL 69 -10.687 -2.207 -6.835 1229 HG12 VAL 69 2HG1 VAL 69 -10.859 -3.457 -5.598 1230 HG13 VAL 69 3HG1 VAL 69 -11.477 -1.834 -5.305 1231 HG21 VAL 69 3HG2 VAL 69 -13.048 -0.921 -6.930 1232 HG22 VAL 69 1HG2 VAL 69 -14.267 -1.984 -7.626 1233 HG23 VAL 69 2HG2 VAL 69 -12.700 -1.797 -8.420 1234 H ASP 70 H ASP 70 -10.187 -5.293 -7.658 1235 HA ASP 70 HA ASP 70 -10.951 -7.448 -5.760 1236 HB2 ASP 70 2HB ASP 70 -9.245 -8.815 -6.684 1237 HB3 ASP 70 1HB ASP 70 -10.091 -8.093 -8.046 1238 H PHE 71 H PHE 71 -9.019 -8.252 -4.432 1239 HA PHE 71 HA PHE 71 -8.349 -6.362 -2.507 1240 HB2 PHE 71 2HB PHE 71 -8.227 -8.944 -2.514 1241 HB3 PHE 71 1HB PHE 71 -6.633 -8.739 -3.214 1242 HD1 PHE 71 1HD PHE 71 -6.498 -5.968 -1.270 1243 HD2 PHE 71 2HD PHE 71 -6.958 -10.204 -0.761 1244 HE1 PHE 71 1HE PHE 71 -5.538 -5.796 0.998 1245 HE2 PHE 71 2HE PHE 71 -6.009 -10.013 1.507 1246 HZ PHE 71 HZ PHE 71 -5.306 -7.818 2.379 1247 H GLN 72 H GLN 72 -6.378 -7.487 -5.284 1248 HA GLN 72 HA GLN 72 -4.075 -5.964 -4.651 1249 HB2 GLN 72 2HB GLN 72 -5.111 -6.941 -7.326 1250 HB3 GLN 72 1HB GLN 72 -3.505 -6.258 -7.066 1251 HG2 GLN 72 2HG GLN 72 -3.012 -8.016 -5.425 1252 HG3 GLN 72 1HG GLN 72 -4.610 -8.697 -5.634 1253 HE21 GLN 72 1HE2 GLN 72 -2.385 -10.304 -6.110 1254 HE22 GLN 72 2HE2 GLN 72 -2.252 -10.607 -7.770 1255 H GLU 73 H GLU 73 -6.956 -5.148 -6.582 1256 HA GLU 73 HA GLU 73 -6.034 -2.661 -7.557 1257 HB2 GLU 73 2HB GLU 73 -8.810 -3.690 -6.993 1258 HB3 GLU 73 1HB GLU 73 -8.478 -2.209 -7.880 1259 HG2 GLU 73 2HG GLU 73 -7.211 -3.554 -9.562 1260 HG3 GLU 73 1HG GLU 73 -7.645 -5.017 -8.692 1261 H TYR 74 H TYR 74 -7.861 -3.615 -4.690 1262 HA TYR 74 HA TYR 74 -8.325 -1.055 -3.569 1263 HB2 TYR 74 2HB TYR 74 -9.537 -3.091 -2.893 1264 HB3 TYR 74 1HB TYR 74 -8.042 -3.762 -2.237 1265 HD1 TYR 74 1HD TYR 74 -10.609 -1.124 -1.821 1266 HD2 TYR 74 2HD TYR 74 -7.119 -2.996 -0.160 1267 HE1 TYR 74 1HE TYR 74 -11.012 0.028 0.340 1268 HE2 TYR 74 2HE TYR 74 -7.520 -1.842 1.994 1269 HH TYR 74 HH TYR 74 -10.020 0.602 2.327 1270 H VAL 75 H VAL 75 -5.802 -3.420 -3.240 1271 HA VAL 75 HA VAL 75 -4.338 -2.227 -1.168 1272 HB VAL 75 HB VAL 75 -4.062 -4.569 -2.766 1273 HG11 VAL 75 1HG1 VAL 75 -1.607 -4.582 -3.212 1274 HG12 VAL 75 2HG1 VAL 75 -1.606 -2.846 -2.994 1275 HG13 VAL 75 3HG1 VAL 75 -2.530 -3.557 -4.301 1276 HG21 VAL 75 3HG2 VAL 75 -2.514 -3.460 -0.429 1277 HG22 VAL 75 1HG2 VAL 75 -2.167 -5.044 -1.122 1278 HG23 VAL 75 2HG2 VAL 75 -3.759 -4.716 -0.437 1279 H VAL 76 H VAL 76 -3.983 -1.892 -4.727 1280 HA VAL 76 HA VAL 76 -1.873 0.013 -4.382 1281 HB VAL 76 HB VAL 76 -2.102 0.554 -6.723 1282 HG11 VAL 76 1HG1 VAL 76 -1.204 -1.740 -5.865 1283 HG12 VAL 76 2HG1 VAL 76 -1.538 -1.560 -7.588 1284 HG13 VAL 76 3HG1 VAL 76 -2.692 -2.398 -6.552 1285 HG21 VAL 76 3HG2 VAL 76 -4.566 -1.175 -6.775 1286 HG22 VAL 76 1HG2 VAL 76 -3.922 -0.205 -8.088 1287 HG23 VAL 76 2HG2 VAL 76 -4.646 0.577 -6.684 1288 H LEU 77 H LEU 77 -5.440 0.273 -4.496 1289 HA LEU 77 HA LEU 77 -5.574 3.064 -4.785 1290 HB2 LEU 77 2HB LEU 77 -7.616 1.763 -4.765 1291 HB3 LEU 77 1HB LEU 77 -7.304 1.209 -3.137 1292 HG LEU 77 HG LEU 77 -7.499 3.619 -2.359 1293 HD11 LEU 77 1HD1 LEU 77 -8.167 5.346 -3.698 1294 HD12 LEU 77 2HD1 LEU 77 -9.056 4.310 -4.797 1295 HD13 LEU 77 3HD1 LEU 77 -7.308 4.432 -4.925 1296 HD21 LEU 77 3HD2 LEU 77 -10.052 3.613 -2.753 1297 HD22 LEU 77 1HD2 LEU 77 -9.332 2.248 -1.898 1298 HD23 LEU 77 2HD2 LEU 77 -9.765 2.094 -3.602 1299 H VAL 78 H VAL 78 -5.339 1.206 -1.708 1300 HA VAL 78 HA VAL 78 -5.164 3.632 -0.205 1301 HB VAL 78 HB VAL 78 -4.430 2.296 1.713 1302 HG11 VAL 78 1HG1 VAL 78 -6.750 2.423 1.461 1303 HG12 VAL 78 2HG1 VAL 78 -6.437 0.699 1.673 1304 HG13 VAL 78 3HG1 VAL 78 -6.755 1.346 0.062 1305 HG21 VAL 78 3HG2 VAL 78 -4.122 -0.090 1.589 1306 HG22 VAL 78 1HG2 VAL 78 -3.040 0.641 0.412 1307 HG23 VAL 78 2HG2 VAL 78 -4.538 -0.123 -0.118 1308 H ALA 79 H ALA 79 -2.692 1.530 -1.641 1309 HA ALA 79 HA ALA 79 -0.520 2.810 -0.266 1310 HB1 ALA 79 1HB ALA 79 -0.675 0.601 -1.766 1311 HB2 ALA 79 2HB ALA 79 0.835 1.433 -1.454 1312 HB3 ALA 79 3HB ALA 79 -0.024 1.699 -2.975 1313 H ALA 80 H ALA 80 -1.856 3.310 -3.527 1314 HA ALA 80 HA ALA 80 -0.095 5.390 -4.261 1315 HB1 ALA 80 1HB ALA 80 -1.320 4.287 -5.984 1316 HB2 ALA 80 2HB ALA 80 -1.924 5.947 -5.932 1317 HB3 ALA 80 3HB ALA 80 -2.867 4.642 -5.209 1318 H LEU 81 H LEU 81 -3.263 5.342 -2.620 1319 HA LEU 81 HA LEU 81 -3.471 8.182 -2.512 1320 HB2 LEU 81 2HB LEU 81 -4.839 5.926 -1.139 1321 HB3 LEU 81 1HB LEU 81 -4.922 7.516 -0.383 1322 HG LEU 81 HG LEU 81 -5.839 8.499 -2.425 1323 HD11 LEU 81 1HD1 LEU 81 -4.619 6.871 -3.985 1324 HD12 LEU 81 2HD1 LEU 81 -6.261 7.315 -4.425 1325 HD13 LEU 81 3HD1 LEU 81 -5.946 5.761 -3.675 1326 HD21 LEU 81 3HD2 LEU 81 -7.461 7.507 -0.865 1327 HD22 LEU 81 1HD2 LEU 81 -7.304 5.944 -1.671 1328 HD23 LEU 81 2HD2 LEU 81 -8.008 7.312 -2.527 1329 H THR 82 H THR 82 -1.832 5.779 -0.473 1330 HA THR 82 HA THR 82 -1.284 7.522 1.698 1331 HB THR 82 HB THR 82 0.406 5.235 0.667 1332 HG1 THR 82 1HG THR 82 -0.827 4.079 2.264 1333 HG21 THR 82 3HG2 THR 82 0.795 7.074 2.818 1334 HG22 THR 82 1HG2 THR 82 1.738 5.632 2.444 1335 HG23 THR 82 2HG2 THR 82 0.349 5.522 3.523 1336 H VAL 83 H VAL 83 0.729 6.717 -1.169 1337 HA VAL 83 HA VAL 83 2.784 8.575 -0.435 1338 HB VAL 83 HB VAL 83 3.240 6.812 -2.100 1339 HG11 VAL 83 1HG1 VAL 83 1.768 8.483 -4.135 1340 HG12 VAL 83 2HG1 VAL 83 0.992 7.147 -3.306 1341 HG13 VAL 83 3HG1 VAL 83 2.388 6.843 -4.298 1342 HG21 VAL 83 3HG2 VAL 83 4.736 8.105 -3.346 1343 HG22 VAL 83 1HG2 VAL 83 4.399 9.156 -1.970 1344 HG23 VAL 83 2HG2 VAL 83 3.594 9.440 -3.515 1345 H ALA 84 H ALA 84 -0.161 8.920 -2.353 1346 HA ALA 84 HA ALA 84 0.339 11.565 -3.251 1347 HB1 ALA 84 1HB ALA 84 -1.423 9.923 -4.097 1348 HB2 ALA 84 2HB ALA 84 -1.945 11.596 -3.894 1349 HB3 ALA 84 3HB ALA 84 -2.380 10.385 -2.689 1350 H CYS 85 H CHC 85 -0.880 10.179 -0.299 1351 HA CYS 85 HA CHC 85 -2.018 12.531 0.807 1352 HB2 CYS 85 2HB CHC 85 -2.453 10.181 1.606 1353 HB3 CYS 85 1HB CHC 85 -0.835 10.181 2.303 1354 H ASN 86 H ASN 86 1.112 10.871 1.420 1355 HA ASN 86 HA ASN 86 2.122 12.880 3.116 1356 HB2 ASN 86 2HB ASN 86 3.195 10.655 2.719 1357 HB3 ASN 86 1HB ASN 86 3.740 11.249 1.152 1358 HD21 ASN 86 1HD2 ASN 86 3.917 12.061 4.659 1359 HD22 ASN 86 2HD2 ASN 86 5.444 12.796 4.558 1360 H ASN 87 H ASN 87 2.250 12.547 -0.438 1361 HA ASN 87 HA ASN 87 3.833 14.840 -0.930 1362 HB2 ASN 87 2HB ASN 87 3.068 13.046 -2.624 1363 HB3 ASN 87 1HB ASN 87 1.579 13.988 -2.726 1364 HD21 ASN 87 1HD2 ASN 87 2.314 14.352 -5.054 1365 HD22 ASN 87 2HD2 ASN 87 3.404 15.620 -5.346 1366 H PHE 88 H PHE 88 0.375 14.386 -0.419 1367 HA PHE 88 HA PHE 88 -0.450 16.989 -1.100 1368 HB2 PHE 88 2HB PHE 88 -1.988 15.062 -0.789 1369 HB3 PHE 88 1HB PHE 88 -1.694 15.142 0.948 1370 HD1 PHE 88 1HD PHE 88 -3.121 16.946 -1.955 1371 HD2 PHE 88 2HD PHE 88 -2.663 16.870 2.315 1372 HE1 PHE 88 1HE PHE 88 -4.842 18.719 -1.739 1373 HE2 PHE 88 2HE PHE 88 -4.384 18.643 2.532 1374 HZ PHE 88 HZ PHE 88 -5.474 19.567 0.505 1375 H PHE 89 H PHE 89 0.513 15.601 2.047 1376 HA PHE 89 HA PHE 89 0.017 17.964 3.529 1377 HB2 PHE 89 2HB PHE 89 0.246 15.710 4.531 1378 HB3 PHE 89 1HB PHE 89 1.970 15.743 4.157 1379 HD1 PHE 89 1HD PHE 89 -0.717 17.324 6.159 1380 HD2 PHE 89 2HD PHE 89 3.510 17.086 5.433 1381 HE1 PHE 89 1HE PHE 89 -0.287 18.596 8.245 1382 HE2 PHE 89 2HE PHE 89 3.940 18.358 7.519 1383 HZ PHE 89 HZ PHE 89 2.041 19.113 8.924 1384 H TRP 90 H TRP 90 3.145 16.603 2.380 1385 HA TRP 90 HA TRP 90 4.664 18.863 3.203 1386 HB2 TRP 90 2HB TRP 90 5.692 16.679 2.755 1387 HB3 TRP 90 1HB TRP 90 5.346 16.893 1.032 1388 HD1 TRP 90 HD TRP 90 6.413 19.035 -0.144 1389 HE1 TRP 90 1HE TRP 90 8.644 20.249 0.268 1390 HE3 TRP 90 3HE TRP 90 7.458 17.320 4.534 1391 HZ2 TRP 90 2HZ TRP 90 10.624 20.459 2.334 1392 HZ3 TRP 90 3HZ TRP 90 9.518 18.042 5.710 1393 HH2 TRP 90 HH TRP 90 11.100 19.607 4.617 1394 H GLU 91 H GLU 91 3.164 18.034 0.158 1395 HA GLU 91 HA GLU 91 4.101 20.527 -1.054 1396 HB2 GLU 91 2HB GLU 91 3.881 17.968 -2.010 1397 HB3 GLU 91 1HB GLU 91 2.397 18.678 -2.637 1398 HG2 GLU 91 2HG GLU 91 5.170 19.884 -2.969 1399 HG3 GLU 91 1HG GLU 91 4.357 18.910 -4.191 1400 H ASN 92 H ASN 92 2.722 22.140 -1.768 1401 HA ASN 92 HA ASN 92 0.411 22.683 -0.316 1402 HB2 ASN 92 2HB ASN 92 1.802 24.307 -1.670 1403 HB3 ASN 92 1HB ASN 92 0.953 23.719 -3.099 1404 HD21 ASN 92 1HD2 ASN 92 0.475 26.324 -2.733 1405 HD22 ASN 92 2HD2 ASN 92 -1.024 26.615 -1.991 1406 H SER 93 H SER 93 0.763 21.054 -3.430 1407 HA SER 93 HA SER 93 -2.138 20.460 -3.388 1408 HB2 SER 93 2HB SER 93 -1.355 21.900 -5.296 1409 HB3 SER 93 1HB SER 93 -0.343 20.558 -5.821 1410 HG SER 93 HG SER 93 -2.519 19.379 -5.563 1411 H1 HCS 201 1HT CHC 85 -0.080 -11.846 9.912 1412 H2 HCS 201 2HT CHC 85 0.998 -10.670 10.500 1413 H HCS 201 3HT CHC 85 0.898 -12.189 11.255 1414 HCA HCS 201 HH CHC 85 1.939 -13.288 9.497 1415 HB2 HCS 201 1HZ CHC 85 0.935 -12.500 7.550 1416 HB3 HCS 201 2HZ CHC 85 2.526 -11.746 7.432 1417 HG2 HCS 201 1HE CHC 85 1.421 -9.782 8.750 1418 HG3 HCS 201 2HE CHC 85 -0.101 -10.505 8.229 1419 H1 HCS 201 1HT CHC 85 -1.909 12.835 8.377 1420 H2 HCS 201 2HT CHC 85 -3.101 11.717 8.842 1421 H HCS 201 3HT CHC 85 -3.148 13.309 9.434 1422 HCA HCS 201 HH CHC 85 -3.776 14.201 7.387 1423 HB2 HCS 201 1HZ CHC 85 -2.386 13.223 5.797 1424 HB3 HCS 201 2HZ CHC 85 -3.923 12.444 5.421 1425 HG2 HCS 201 1HE CHC 85 -3.150 10.643 7.147 1426 HG3 HCS 201 2HE CHC 85 -1.544 11.324 6.890
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