NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
491683 | 2jvo | 15485 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 28 H GLU 28 4.992 14.869 11.948 2 HA GLU 28 HA GLU 28 3.942 14.114 9.300 3 HB2 GLU 28 2HB GLU 28 6.733 15.111 10.008 4 HB3 GLU 28 3HB GLU 28 6.191 14.550 8.426 5 HG2 GLU 28 2HG GLU 28 5.363 17.085 9.863 6 HG3 GLU 28 3HG GLU 28 6.257 16.922 8.354 7 H LEU 29 H LEU 29 4.633 12.352 8.362 8 HA LEU 29 HA LEU 29 6.633 10.471 9.431 9 HG LEU 29 HG LEU 29 4.139 7.658 10.151 10 HB2 LEU 29 2HB LEU 29 4.066 10.072 10.223 11 HB3 LEU 29 3HB LEU 29 3.897 9.456 8.623 12 HD11 LEU 29 1HD1 LEU 29 6.915 7.795 8.915 13 HD12 LEU 29 2HD1 LEU 29 6.074 6.362 9.533 14 HD13 LEU 29 3HD1 LEU 29 5.448 7.145 8.119 15 HD21 LEU 29 3HD2 LEU 29 5.927 7.359 11.724 16 HD22 LEU 29 1HD2 LEU 29 6.709 8.870 11.191 17 HD23 LEU 29 2HD2 LEU 29 5.119 8.907 11.995 18 H SER 30 H SER 30 5.984 8.544 7.340 19 HA SER 30 HA SER 30 6.712 9.782 4.859 20 HG SER 30 HG SER 30 7.284 6.293 5.450 21 HB2 SER 30 2HB SER 30 5.271 7.169 5.432 22 HB3 SER 30 3HB SER 30 6.043 7.604 3.886 23 H ASN 31 H ASN 31 3.735 9.746 6.508 24 HA ASN 31 HA ASN 31 1.627 10.344 6.226 25 HB2 ASN 31 2HB ASN 31 2.533 12.160 4.039 26 HB3 ASN 31 3HB ASN 31 1.183 12.381 5.116 27 HD21 ASN 31 1HD2 ASN 31 3.678 13.954 4.423 28 HD22 ASN 31 2HD2 ASN 31 4.065 14.581 6.007 29 H THR 32 H THR 32 2.881 8.902 3.323 30 HA THR 32 HA THR 32 0.126 8.725 2.195 31 HB THR 32 HB THR 32 0.922 9.473 0.082 32 HG1 THR 32 1HG THR 32 2.982 9.791 -0.371 33 HG21 THR 32 1HG2 THR 32 1.578 11.731 0.411 34 HG22 THR 32 2HG2 THR 32 0.534 11.332 1.778 35 HG23 THR 32 3HG2 THR 32 2.307 11.392 1.992 36 H ARG 33 H ARG 33 1.627 6.358 3.369 37 HA ARG 33 HA ARG 33 2.185 4.873 0.829 38 HE ARG 33 HE ARG 33 6.610 6.091 -0.541 39 HB2 ARG 33 2HB ARG 33 4.068 5.201 3.134 40 HB3 ARG 33 3HB ARG 33 4.086 3.780 2.038 41 HG2 ARG 33 2HG ARG 33 4.612 4.881 0.225 42 HG3 ARG 33 3HG ARG 33 4.361 6.509 0.977 43 HD2 ARG 33 2HD ARG 33 6.388 6.434 2.092 44 HD3 ARG 33 3HD ARG 33 6.468 4.655 2.055 45 HH11 ARG 33 2HH2 ARG 33 8.646 4.439 1.799 46 HH12 ARG 33 1HH2 ARG 33 9.693 3.865 0.499 47 HH21 ARG 33 2HH1 ARG 33 7.992 5.556 -1.925 48 HH22 ARG 33 1HH1 ARG 33 9.489 4.698 -1.506 49 H LEU 34 H LEU 34 1.436 3.052 0.652 50 HA LEU 34 HA LEU 34 0.198 1.797 2.986 51 HG LEU 34 HG LEU 34 -2.467 2.674 0.482 52 HB2 LEU 34 2HB LEU 34 -0.384 1.146 0.172 53 HB3 LEU 34 3HB LEU 34 -1.426 0.910 1.526 54 HD11 LEU 34 1HD1 LEU 34 -2.411 4.622 1.737 55 HD12 LEU 34 2HD1 LEU 34 -1.855 3.398 2.863 56 HD13 LEU 34 3HD1 LEU 34 -0.709 4.518 2.102 57 HD21 LEU 34 3HD2 LEU 34 -1.458 3.506 -1.301 58 HD22 LEU 34 1HD2 LEU 34 -0.728 4.729 -0.243 59 HD23 LEU 34 2HD2 LEU 34 0.133 3.256 -0.647 60 H PHE 35 H PHE 35 1.042 0.149 3.921 61 HA PHE 35 HA PHE 35 3.219 -1.354 2.615 62 HD1 PHE 35 HD1 PHE 35 4.443 -3.175 3.553 63 HD2 PHE 35 HD2 PHE 35 4.669 -0.623 7.039 64 HE1 PHE 35 HE1 PHE 35 6.243 -4.582 4.476 65 HE2 PHE 35 HE2 PHE 35 6.472 -2.059 7.960 66 HZ PHE 35 HZ PHE 35 7.271 -4.035 6.669 67 HB2 PHE 35 2HB PHE 35 4.014 -0.074 4.163 68 HB3 PHE 35 3HB PHE 35 2.954 -0.134 5.367 69 H VAL 36 H VAL 36 2.307 -2.802 1.657 70 HA VAL 36 HA VAL 36 0.039 -4.379 2.799 71 HB VAL 36 HB VAL 36 0.688 -3.012 0.191 72 HG11 VAL 36 1HG1 VAL 36 -1.463 -4.989 0.539 73 HG12 VAL 36 2HG1 VAL 36 -1.613 -3.561 -0.530 74 HG13 VAL 36 3HG1 VAL 36 -0.291 -4.662 -0.799 75 HG21 VAL 36 3HG2 VAL 36 -1.804 -2.937 1.989 76 HG22 VAL 36 1HG2 VAL 36 -0.473 -1.791 2.234 77 HG23 VAL 36 2HG2 VAL 36 -1.383 -1.737 0.749 78 H ARG 37 H ARG 37 1.130 -6.010 3.513 79 HA ARG 37 HA ARG 37 2.871 -7.638 1.703 80 HE ARG 37 HE ARG 37 3.534 -7.587 7.982 81 HB2 ARG 37 2HB ARG 37 4.333 -7.970 3.668 82 HB3 ARG 37 3HB ARG 37 4.193 -6.280 3.193 83 HG2 ARG 37 2HG ARG 37 2.862 -5.707 5.059 84 HG3 ARG 37 3HG ARG 37 2.354 -7.371 5.339 85 HD2 ARG 37 2HD ARG 37 4.698 -7.935 6.028 86 HD3 ARG 37 3HD ARG 37 5.110 -6.223 5.921 87 HH11 ARG 37 1HH2 ARG 37 4.221 -4.340 6.716 88 HH12 ARG 37 2HH2 ARG 37 3.516 -3.634 8.162 89 HH21 ARG 37 2HH1 ARG 37 2.687 -6.427 9.752 90 HH22 ARG 37 1HH1 ARG 37 2.759 -4.664 9.671 91 HA PRO 38 HA PRO 38 0.242 -10.582 4.386 92 HB2 PRO 38 2HB PRO 38 -2.196 -10.981 3.213 93 HB3 PRO 38 3HB PRO 38 -1.923 -9.631 4.359 94 HG2 PRO 38 2HG PRO 38 -1.813 -9.492 1.359 95 HG3 PRO 38 3HG PRO 38 -2.745 -8.487 2.480 96 HD2 PRO 38 2HD PRO 38 -0.323 -7.655 1.601 97 HD3 PRO 38 3HD PRO 38 -0.770 -7.416 3.314 98 H PHE 39 H PHE 39 0.158 -10.156 0.930 99 HA PHE 39 HA PHE 39 -0.463 -12.804 0.156 100 HD1 PHE 39 HD1 PHE 39 1.198 -8.837 -0.718 101 HD2 PHE 39 HD2 PHE 39 -2.728 -10.564 -1.402 102 HE1 PHE 39 HE1 PHE 39 0.223 -6.643 -0.796 103 HE2 PHE 39 HE2 PHE 39 -3.688 -8.283 -1.441 104 HZ PHE 39 HZ PHE 39 -2.236 -6.314 -1.199 105 HB2 PHE 39 2HB PHE 39 0.876 -11.106 -1.837 106 HB3 PHE 39 3HB PHE 39 -0.685 -11.883 -1.903 107 HA PRO 40 HA PRO 40 3.782 -14.140 -0.685 108 HB2 PRO 40 2HB PRO 40 2.859 -16.131 -2.673 109 HB3 PRO 40 3HB PRO 40 3.505 -16.423 -1.043 110 HG2 PRO 40 2HG PRO 40 0.849 -16.850 -1.774 111 HG3 PRO 40 3HG PRO 40 1.392 -16.480 -0.111 112 HD2 PRO 40 2HD PRO 40 0.273 -14.574 -2.180 113 HD3 PRO 40 3HD PRO 40 -0.112 -14.735 -0.435 114 H LEU 41 H LEU 41 4.632 -15.066 -3.278 115 HA LEU 41 HA LEU 41 5.241 -12.701 -4.670 116 HG LEU 41 HG LEU 41 7.618 -15.521 -5.529 117 HB2 LEU 41 2HB LEU 41 5.123 -15.542 -5.778 118 HB3 LEU 41 3HB LEU 41 5.988 -14.192 -6.469 119 HD11 LEU 41 1HD1 LEU 41 8.677 -14.165 -3.820 120 HD12 LEU 41 2HD1 LEU 41 7.895 -13.117 -5.018 121 HD13 LEU 41 3HD1 LEU 41 7.129 -13.387 -3.430 122 HD21 LEU 41 3HD2 LEU 41 7.730 -16.477 -3.378 123 HD22 LEU 41 1HD2 LEU 41 6.323 -15.596 -2.787 124 HD23 LEU 41 2HD2 LEU 41 6.128 -16.878 -4.015 125 H ASP 42 H ASP 42 2.229 -14.300 -4.738 126 HA ASP 42 HA ASP 42 1.308 -13.961 -7.369 127 HB2 ASP 42 2HB ASP 42 -0.224 -13.906 -4.751 128 HB3 ASP 42 3HB ASP 42 -0.938 -14.130 -6.343 129 H VAL 43 H VAL 43 1.470 -11.467 -4.793 130 HA VAL 43 HA VAL 43 -0.426 -9.694 -6.098 131 HB VAL 43 HB VAL 43 -0.017 -9.510 -3.729 132 HG11 VAL 43 1HG1 VAL 43 2.752 -8.414 -4.399 133 HG12 VAL 43 2HG1 VAL 43 1.982 -8.367 -2.819 134 HG13 VAL 43 3HG1 VAL 43 2.387 -9.929 -3.535 135 HG21 VAL 43 3HG2 VAL 43 0.019 -7.087 -3.566 136 HG22 VAL 43 1HG2 VAL 43 0.757 -6.933 -5.164 137 HG23 VAL 43 2HG2 VAL 43 -0.896 -7.567 -4.994 138 H GLN 44 H GLN 44 -0.168 -8.044 -7.473 139 HA GLN 44 HA GLN 44 2.481 -7.062 -8.237 140 HB2 GLN 44 2HB GLN 44 0.660 -7.505 -10.553 141 HB3 GLN 44 3HB GLN 44 2.402 -7.433 -10.514 142 HG2 GLN 44 2HG GLN 44 0.669 -9.822 -9.767 143 HG3 GLN 44 3HG GLN 44 1.476 -9.580 -11.298 144 HE21 GLN 44 1HE2 GLN 44 1.672 -11.547 -8.897 145 HE22 GLN 44 2HE2 GLN 44 3.392 -11.677 -8.616 146 H GLU 45 H GLU 45 2.060 -5.136 -9.899 147 HA GLU 45 HA GLU 45 0.342 -3.238 -8.673 148 HB2 GLU 45 2HB GLU 45 0.846 -1.787 -10.452 149 HB3 GLU 45 3HB GLU 45 2.313 -2.663 -10.060 150 HG2 GLU 45 2HG GLU 45 0.424 -3.295 -12.357 151 HG3 GLU 45 3HG GLU 45 1.870 -2.301 -12.498 152 H SER 46 H SER 46 -0.576 -5.720 -11.019 153 HA SER 46 HA SER 46 -3.066 -4.485 -11.793 154 HG SER 46 HG SER 46 -1.743 -7.954 -11.271 155 HB2 SER 46 2HB SER 46 -3.585 -7.043 -12.284 156 HB3 SER 46 3HB SER 46 -2.511 -6.081 -13.296 157 H GLU 47 H GLU 47 -2.114 -6.392 -8.933 158 HA GLU 47 HA GLU 47 -4.863 -7.145 -8.178 159 HB2 GLU 47 2HB GLU 47 -1.987 -7.615 -7.259 160 HB3 GLU 47 3HB GLU 47 -3.316 -7.912 -6.185 161 HG2 GLU 47 2HG GLU 47 -2.621 -9.958 -7.317 162 HG3 GLU 47 3HG GLU 47 -4.291 -9.528 -7.698 163 H LEU 48 H LEU 48 -2.148 -4.997 -7.392 164 HA LEU 48 HA LEU 48 -3.488 -3.575 -5.257 165 HG LEU 48 HG LEU 48 -0.862 -4.915 -5.608 166 HB2 LEU 48 2HB LEU 48 -1.240 -2.779 -7.138 167 HB3 LEU 48 3HB LEU 48 -1.677 -1.978 -5.697 168 HD11 LEU 48 1HD1 LEU 48 1.370 -4.321 -5.194 169 HD12 LEU 48 2HD1 LEU 48 0.882 -3.548 -6.704 170 HD13 LEU 48 3HD1 LEU 48 1.010 -2.580 -5.216 171 HD21 LEU 48 3HD2 LEU 48 -0.063 -4.297 -3.401 172 HD22 LEU 48 1HD2 LEU 48 -0.704 -2.632 -3.634 173 HD23 LEU 48 2HD2 LEU 48 -1.810 -4.061 -3.564 174 H ASN 49 H ASN 49 -3.311 -3.194 -8.858 175 HA ASN 49 HA ASN 49 -4.976 -0.837 -8.947 176 HB2 ASN 49 2HB ASN 49 -4.192 -2.897 -10.943 177 HB3 ASN 49 3HB ASN 49 -5.726 -2.117 -11.245 178 HD21 ASN 49 2HD2 ASN 49 -2.279 -1.487 -10.768 179 HD22 ASN 49 1HD2 ASN 49 -2.297 0.049 -11.639 180 H GLU 50 H GLU 50 -5.979 -4.282 -8.797 181 HA GLU 50 HA GLU 50 -8.803 -3.790 -8.826 182 HB2 GLU 50 2HB GLU 50 -7.003 -5.948 -7.803 183 HB3 GLU 50 3HB GLU 50 -8.682 -5.971 -7.286 184 HG2 GLU 50 2HG GLU 50 -7.779 -5.832 -10.210 185 HG3 GLU 50 3HG GLU 50 -8.037 -7.346 -9.353 186 H ILE 51 H ILE 51 -6.538 -3.826 -6.047 187 HA ILE 51 HA ILE 51 -8.672 -3.368 -4.094 188 HB ILE 51 HB ILE 51 -5.679 -3.458 -4.050 189 HG12 ILE 51 2HG1 ILE 51 -7.635 -5.405 -2.773 190 HG13 ILE 51 3HG1 ILE 51 -7.010 -5.591 -4.411 191 HG21 ILE 51 1HG2 ILE 51 -5.790 -3.490 -1.526 192 HG22 ILE 51 2HG2 ILE 51 -6.301 -1.945 -2.188 193 HG23 ILE 51 3HG2 ILE 51 -7.525 -3.111 -1.647 194 HD11 ILE 51 3HD1 ILE 51 -4.656 -5.563 -3.459 195 HD12 ILE 51 1HD1 ILE 51 -5.393 -5.691 -1.844 196 HD13 ILE 51 2HD1 ILE 51 -5.648 -6.966 -3.044 197 H PHE 52 H PHE 52 -6.182 -1.290 -5.533 198 HA PHE 52 HA PHE 52 -6.702 0.973 -3.740 199 HD1 PHE 52 HD2 PHE 52 -4.479 -1.748 -4.207 200 HD2 PHE 52 HD1 PHE 52 -3.680 2.252 -2.858 201 HE1 PHE 52 HE2 PHE 52 -3.019 -2.660 -2.458 202 HE2 PHE 52 HE1 PHE 52 -2.119 1.329 -1.193 203 HZ PHE 52 HZ PHE 52 -1.642 -1.109 -1.136 204 HB2 PHE 52 2HB PHE 52 -4.609 0.442 -5.778 205 HB3 PHE 52 3HB PHE 52 -4.757 1.947 -4.912 206 H GLY 53 H GLY 53 -7.133 0.068 -7.152 207 HA2 GLY 53 2HA GLY 53 -7.569 2.461 -8.484 208 HA3 GLY 53 3HA GLY 53 -8.448 0.961 -8.778 209 HA PRO 54 HA PRO 54 -12.158 2.606 -6.750 210 HB2 PRO 54 2HB PRO 54 -11.655 1.579 -3.971 211 HB3 PRO 54 3HB PRO 54 -13.113 1.404 -4.995 212 HG2 PRO 54 2HG PRO 54 -11.426 -0.687 -4.671 213 HG3 PRO 54 3HG PRO 54 -12.055 -0.311 -6.315 214 HD2 PRO 54 2HD PRO 54 -9.457 0.602 -5.058 215 HD3 PRO 54 3HD PRO 54 -9.635 -0.295 -6.588 216 H PHE 55 H PHE 55 -9.189 3.292 -4.914 217 HA PHE 55 HA PHE 55 -10.254 5.464 -3.300 218 HD1 PHE 55 HD2 PHE 55 -9.942 3.266 -2.290 219 HD2 PHE 55 HD1 PHE 55 -5.728 3.918 -2.913 220 HE1 PHE 55 HE2 PHE 55 -9.457 1.200 -1.040 221 HE2 PHE 55 HE1 PHE 55 -5.264 2.021 -1.306 222 HZ PHE 55 HZ PHE 55 -7.124 0.635 -0.493 223 HB2 PHE 55 2HB PHE 55 -7.354 5.127 -4.132 224 HB3 PHE 55 3HB PHE 55 -7.991 5.887 -2.708 225 H GLY 56 H GLY 56 -8.610 5.127 -6.372 226 HA2 GLY 56 2HA GLY 56 -9.033 6.745 -8.147 227 HA3 GLY 56 3HA GLY 56 -8.829 8.034 -6.950 228 HA PRO 57 HA PRO 57 -4.449 8.015 -7.901 229 HB2 PRO 57 2HB PRO 57 -3.913 8.420 -4.979 230 HB3 PRO 57 3HB PRO 57 -3.345 9.380 -6.373 231 HG2 PRO 57 2HG PRO 57 -5.336 10.332 -4.822 232 HG3 PRO 57 3HG PRO 57 -5.479 10.443 -6.603 233 HD2 PRO 57 2HD PRO 57 -6.644 8.289 -4.796 234 HD3 PRO 57 3HD PRO 57 -7.488 9.302 -5.985 235 H MET 58 H MET 58 -2.450 7.017 -7.460 236 HA MET 58 HA MET 58 -1.558 5.102 -5.667 237 HB2 MET 58 2HB MET 58 -1.580 3.064 -7.003 238 HB3 MET 58 3HB MET 58 -3.063 3.445 -6.128 239 HG2 MET 58 2HG MET 58 -4.064 4.296 -8.257 240 HG3 MET 58 3HG MET 58 -2.622 3.727 -9.114 241 HE1 MET 58 3HE MET 58 -2.753 1.121 -6.596 242 HE2 MET 58 1HE MET 58 -3.133 -0.172 -7.742 243 HE3 MET 58 2HE MET 58 -1.855 0.996 -8.133 244 H LYS 59 H LYS 59 -0.234 6.833 -6.099 245 HA LYS 59 HA LYS 59 0.874 7.503 -8.612 246 HB2 LYS 59 2HB LYS 59 0.238 8.864 -6.558 247 HB3 LYS 59 3HB LYS 59 1.627 8.164 -5.732 248 HG2 LYS 59 2HG LYS 59 1.924 9.792 -8.248 249 HG3 LYS 59 3HG LYS 59 1.679 10.502 -6.664 250 HD2 LYS 59 2HD LYS 59 4.077 8.969 -7.617 251 HD3 LYS 59 3HD LYS 59 3.856 10.595 -6.967 252 HE2 LYS 59 2HE LYS 59 3.609 9.875 -4.760 253 HE3 LYS 59 3HE LYS 59 3.634 8.159 -5.230 254 HZ1 LYS 59 3HZ LYS 59 5.914 10.020 -5.664 255 HZ2 LYS 59 1HZ LYS 59 5.807 8.979 -4.410 256 HZ3 LYS 59 2HZ LYS 59 5.944 8.400 -5.927 257 H GLU 60 H GLU 60 1.979 5.483 -5.920 258 HA GLU 60 HA GLU 60 3.968 4.326 -7.718 259 HB2 GLU 60 2HB GLU 60 4.915 6.165 -5.808 260 HB3 GLU 60 3HB GLU 60 5.166 4.592 -5.039 261 HG2 GLU 60 2HG GLU 60 6.535 3.833 -6.871 262 HG3 GLU 60 3HG GLU 60 6.113 5.243 -7.850 263 H VAL 61 H VAL 61 4.700 2.330 -7.220 264 HA VAL 61 HA VAL 61 3.010 0.719 -5.435 265 HB VAL 61 HB VAL 61 2.956 0.224 -8.480 266 HG11 VAL 61 1HG1 VAL 61 2.291 -1.549 -6.847 267 HG12 VAL 61 2HG1 VAL 61 0.925 -0.528 -6.345 268 HG13 VAL 61 3HG1 VAL 61 1.028 -1.127 -8.018 269 HG21 VAL 61 3HG2 VAL 61 1.879 2.398 -8.375 270 HG22 VAL 61 1HG2 VAL 61 0.711 1.132 -8.724 271 HG23 VAL 61 2HG2 VAL 61 0.786 1.828 -7.094 272 H LYS 62 H LYS 62 5.234 0.631 -4.656 273 HA LYS 62 HA LYS 62 7.293 -0.658 -6.270 274 HB2 LYS 62 2HB LYS 62 7.219 -0.310 -3.254 275 HB3 LYS 62 3HB LYS 62 8.633 -0.532 -4.273 276 HG2 LYS 62 2HG LYS 62 8.055 1.728 -5.365 277 HG3 LYS 62 3HG LYS 62 6.787 1.907 -4.160 278 HD2 LYS 62 2HD LYS 62 8.424 3.045 -3.062 279 HD3 LYS 62 3HD LYS 62 8.754 1.433 -2.435 280 HE2 LYS 62 2HE LYS 62 10.884 1.890 -3.130 281 HE3 LYS 62 3HE LYS 62 10.266 1.322 -4.686 282 HZ1 LYS 62 3HZ LYS 62 9.677 3.833 -5.027 283 HZ2 LYS 62 1HZ LYS 62 10.679 4.086 -3.743 284 HZ3 LYS 62 2HZ LYS 62 11.268 3.411 -5.107 285 H ILE 63 H ILE 63 7.306 -2.775 -6.700 286 HA ILE 63 HA ILE 63 5.815 -4.687 -4.944 287 HB ILE 63 HB ILE 63 6.650 -5.241 -7.788 288 HG12 ILE 63 2HG1 ILE 63 5.186 -3.348 -8.032 289 HG13 ILE 63 3HG1 ILE 63 4.494 -4.815 -8.672 290 HG21 ILE 63 1HG2 ILE 63 6.145 -7.234 -6.494 291 HG22 ILE 63 2HG2 ILE 63 4.606 -6.549 -5.946 292 HG23 ILE 63 3HG2 ILE 63 4.849 -6.971 -7.660 293 HD11 ILE 63 3HD1 ILE 63 3.669 -3.514 -6.029 294 HD12 ILE 63 1HD1 ILE 63 2.803 -3.518 -7.581 295 HD13 ILE 63 2HD1 ILE 63 2.994 -5.021 -6.695 296 H LEU 64 H LEU 64 6.936 -6.055 -3.814 297 HA LEU 64 HA LEU 64 9.588 -7.125 -4.645 298 HG LEU 64 HG LEU 64 10.763 -4.998 -3.666 299 HB2 LEU 64 2HB LEU 64 8.639 -6.229 -1.900 300 HB3 LEU 64 3HB LEU 64 10.179 -6.981 -2.259 301 HD11 LEU 64 1HD1 LEU 64 8.100 -3.986 -2.920 302 HD12 LEU 64 2HD1 LEU 64 9.425 -2.848 -2.614 303 HD13 LEU 64 3HD1 LEU 64 9.200 -3.499 -4.222 304 HD21 LEU 64 3HD2 LEU 64 10.215 -4.673 -0.750 305 HD22 LEU 64 1HD2 LEU 64 11.665 -5.336 -1.518 306 HD23 LEU 64 2HD2 LEU 64 11.288 -3.611 -1.716 307 H ASN 65 H ASN 65 10.034 -8.962 -2.973 308 HA ASN 65 HA ASN 65 8.740 -11.225 -3.837 309 HB2 ASN 65 2HB ASN 65 10.325 -10.897 -1.310 310 HB3 ASN 65 3HB ASN 65 10.237 -12.374 -2.275 311 HD21 ASN 65 1HD2 ASN 65 12.218 -9.720 -1.680 312 HD22 ASN 65 2HD2 ASN 65 13.153 -9.802 -3.164 313 H GLY 66 H GLY 66 6.462 -10.086 -2.878 314 HA2 GLY 66 2HA GLY 66 4.643 -11.242 -1.759 315 HA3 GLY 66 3HA GLY 66 5.665 -11.540 -0.366 316 H PHE 67 H PHE 67 6.281 -8.450 -1.762 317 HA PHE 67 HA PHE 67 4.482 -7.115 0.221 318 HD1 PHE 67 HD2 PHE 67 8.363 -8.488 -0.413 319 HD2 PHE 67 HD1 PHE 67 6.404 -7.063 3.133 320 HE1 PHE 67 HE2 PHE 67 9.478 -10.269 0.906 321 HE2 PHE 67 HE1 PHE 67 7.513 -8.844 4.462 322 HZ PHE 67 HZ PHE 67 9.043 -10.457 3.346 323 HB2 PHE 67 2HB PHE 67 7.294 -6.181 -0.228 324 HB3 PHE 67 3HB PHE 67 6.218 -5.819 1.092 325 H ALA 68 H ALA 68 3.660 -5.231 -0.307 326 HA ALA 68 HA ALA 68 4.392 -3.795 -2.852 327 HB1 ALA 68 1HB ALA 68 2.071 -3.233 -3.048 328 HB2 ALA 68 2HB ALA 68 2.301 -5.001 -3.112 329 HB3 ALA 68 3HB ALA 68 1.676 -4.230 -1.634 330 H PHE 69 H PHE 69 4.873 -1.751 -2.516 331 HA PHE 69 HA PHE 69 3.950 -0.425 -0.041 332 HD1 PHE 69 HD2 PHE 69 6.998 -2.228 -1.682 333 HD2 PHE 69 HD1 PHE 69 6.845 -0.392 2.200 334 HE1 PHE 69 HE2 PHE 69 8.160 -4.170 -0.731 335 HE2 PHE 69 HE1 PHE 69 8.187 -2.297 3.127 336 HZ PHE 69 HZ PHE 69 8.925 -4.170 1.567 337 HB2 PHE 69 2HB PHE 69 6.627 0.331 -1.246 338 HB3 PHE 69 3HB PHE 69 5.970 0.767 0.307 339 H VAL 70 H VAL 70 2.272 0.288 -1.037 340 HA VAL 70 HA VAL 70 2.468 1.739 -3.590 341 HB VAL 70 HB VAL 70 -0.025 1.409 -1.932 342 HG11 VAL 70 1HG1 VAL 70 -1.115 1.229 -4.110 343 HG12 VAL 70 2HG1 VAL 70 -0.244 2.796 -4.032 344 HG13 VAL 70 3HG1 VAL 70 0.438 1.379 -4.920 345 HG21 VAL 70 3HG2 VAL 70 -0.440 -0.565 -3.439 346 HG22 VAL 70 1HG2 VAL 70 1.274 -0.424 -3.943 347 HG23 VAL 70 2HG2 VAL 70 0.823 -0.837 -2.227 348 H GLU 71 H GLU 71 1.614 3.941 -3.742 349 HA GLU 71 HA GLU 71 2.131 5.633 -1.334 350 HB2 GLU 71 2HB GLU 71 4.288 4.893 -2.623 351 HB3 GLU 71 3HB GLU 71 3.673 5.913 -3.921 352 HG2 GLU 71 2HG GLU 71 3.636 7.891 -2.562 353 HG3 GLU 71 3HG GLU 71 4.064 6.980 -1.122 354 H PHE 72 H PHE 72 1.418 7.708 -1.590 355 HA PHE 72 HA PHE 72 0.323 8.610 -4.221 356 HD1 PHE 72 HD1 PHE 72 -1.880 7.047 -4.441 357 HD2 PHE 72 HD2 PHE 72 -1.854 7.726 -0.199 358 HE1 PHE 72 HE1 PHE 72 -3.151 4.933 -4.088 359 HE2 PHE 72 HE2 PHE 72 -3.274 5.711 0.103 360 HZ PHE 72 HZ PHE 72 -3.877 4.305 -1.802 361 HB2 PHE 72 2HB PHE 72 -0.894 9.300 -1.541 362 HB3 PHE 72 3HB PHE 72 -1.585 9.485 -3.145 363 H GLU 73 H GLU 73 0.143 10.953 -4.422 364 HA GLU 73 HA GLU 73 2.589 12.192 -3.306 365 HB2 GLU 73 2HB GLU 73 2.293 13.919 -4.985 366 HB3 GLU 73 3HB GLU 73 2.443 12.289 -5.626 367 HG2 GLU 73 2HG GLU 73 -0.029 12.209 -5.991 368 HG3 GLU 73 3HG GLU 73 -0.179 13.831 -5.316 369 H GLU 74 H GLU 74 -0.515 11.949 -2.225 370 HA GLU 74 HA GLU 74 -0.267 14.283 -0.467 371 HB2 GLU 74 2HB GLU 74 -2.729 14.861 -0.918 372 HB3 GLU 74 3HB GLU 74 -1.510 15.413 -2.041 373 HG2 GLU 74 2HG GLU 74 -3.543 14.639 -3.184 374 HG3 GLU 74 3HG GLU 74 -2.102 13.781 -3.693 375 H ALA 75 H ALA 75 -2.162 14.242 1.203 376 HA ALA 75 HA ALA 75 -1.964 11.532 2.353 377 HB1 ALA 75 1HB ALA 75 -0.964 13.456 3.529 378 HB2 ALA 75 2HB ALA 75 -2.574 14.209 3.653 379 HB3 ALA 75 3HB ALA 75 -2.233 12.674 4.487 380 H GLU 76 H GLU 76 -4.350 12.942 0.589 381 HA GLU 76 HA GLU 76 -6.628 12.149 2.324 382 HB2 GLU 76 2HB GLU 76 -6.213 13.741 -0.180 383 HB3 GLU 76 3HB GLU 76 -7.691 12.784 -0.131 384 HG2 GLU 76 2HG GLU 76 -6.747 14.537 2.155 385 HG3 GLU 76 3HG GLU 76 -7.789 15.167 0.854 386 H SER 77 H SER 77 -5.039 11.083 -0.708 387 HA SER 77 HA SER 77 -6.734 8.762 -1.058 388 HG SER 77 HG SER 77 -4.441 7.036 -2.512 389 HB2 SER 77 2HB SER 77 -5.182 9.660 -2.778 390 HB3 SER 77 3HB SER 77 -3.835 8.998 -1.861 391 H ALA 78 H ALA 78 -3.830 9.420 0.914 392 HA ALA 78 HA ALA 78 -3.535 6.733 1.895 393 HB1 ALA 78 1HB ALA 78 -1.869 8.619 1.901 394 HB2 ALA 78 2HB ALA 78 -2.695 9.253 3.343 395 HB3 ALA 78 3HB ALA 78 -1.953 7.625 3.370 396 H ALA 79 H ALA 79 -5.190 9.587 3.410 397 HA ALA 79 HA ALA 79 -6.218 8.290 5.675 398 HB1 ALA 79 1HB ALA 79 -7.477 10.506 4.006 399 HB2 ALA 79 2HB ALA 79 -7.889 10.092 5.681 400 HB3 ALA 79 3HB ALA 79 -6.274 10.714 5.304 401 H LYS 80 H LYS 80 -7.808 8.526 2.427 402 HA LYS 80 HA LYS 80 -9.940 6.780 3.352 403 HB2 LYS 80 2HB LYS 80 -10.786 6.748 1.127 404 HB3 LYS 80 3HB LYS 80 -10.281 8.389 1.525 405 HG2 LYS 80 2HG LYS 80 -8.118 7.851 0.242 406 HG3 LYS 80 3HG LYS 80 -8.877 6.346 -0.251 407 HD2 LYS 80 2HD LYS 80 -9.372 7.706 -2.060 408 HD3 LYS 80 3HD LYS 80 -10.825 7.950 -1.111 409 HE2 LYS 80 2HE LYS 80 -8.439 9.830 -1.460 410 HE3 LYS 80 3HE LYS 80 -10.057 10.036 -2.100 411 HZ1 LYS 80 3HZ LYS 80 -10.839 10.246 0.250 412 HZ2 LYS 80 1HZ LYS 80 -9.266 10.205 0.749 413 HZ3 LYS 80 2HZ LYS 80 -9.802 11.430 -0.147 414 H ALA 81 H ALA 81 -6.939 6.104 1.547 415 HA ALA 81 HA ALA 81 -7.441 3.430 0.921 416 HB1 ALA 81 1HB ALA 81 -4.810 4.661 1.777 417 HB2 ALA 81 2HB ALA 81 -5.014 3.075 1.012 418 HB3 ALA 81 3HB ALA 81 -5.476 4.529 0.131 419 H ILE 82 H ILE 82 -6.082 4.859 3.951 420 HA ILE 82 HA ILE 82 -5.892 2.587 5.560 421 HB ILE 82 HB ILE 82 -6.581 5.428 6.328 422 HG12 ILE 82 2HG1 ILE 82 -3.951 4.201 7.056 423 HG13 ILE 82 3HG1 ILE 82 -4.153 4.621 5.372 424 HG21 ILE 82 1HG2 ILE 82 -5.906 4.882 8.646 425 HG22 ILE 82 2HG2 ILE 82 -7.348 4.003 8.171 426 HG23 ILE 82 3HG2 ILE 82 -5.775 3.174 8.208 427 HD11 ILE 82 3HD1 ILE 82 -4.530 6.499 7.743 428 HD12 ILE 82 1HD1 ILE 82 -3.167 6.491 6.592 429 HD13 ILE 82 2HD1 ILE 82 -4.805 6.912 6.050 430 H GLU 83 H GLU 83 -8.680 4.888 5.484 431 HA GLU 83 HA GLU 83 -10.311 3.210 7.114 432 HB2 GLU 83 2HB GLU 83 -11.027 5.444 5.211 433 HB3 GLU 83 3HB GLU 83 -12.179 4.683 6.314 434 HG2 GLU 83 2HG GLU 83 -9.601 6.082 7.195 435 HG3 GLU 83 3HG GLU 83 -11.201 6.803 7.192 436 H GLU 84 H GLU 84 -9.695 2.919 3.698 437 HA GLU 84 HA GLU 84 -12.053 1.291 3.042 438 HB2 GLU 84 2HB GLU 84 -9.463 1.963 1.601 439 HB3 GLU 84 3HB GLU 84 -10.592 0.804 0.954 440 HG2 GLU 84 2HG GLU 84 -11.309 3.695 1.513 441 HG3 GLU 84 3HG GLU 84 -10.700 3.113 -0.020 442 H VAL 85 H VAL 85 -8.596 0.630 3.792 443 HA VAL 85 HA VAL 85 -9.206 -2.282 4.005 444 HB VAL 85 HB VAL 85 -8.953 -1.850 1.702 445 HG11 VAL 85 1HG1 VAL 85 -6.297 -0.579 2.323 446 HG12 VAL 85 2HG1 VAL 85 -6.745 -1.163 0.705 447 HG13 VAL 85 3HG1 VAL 85 -7.698 0.106 1.490 448 HG21 VAL 85 3HG2 VAL 85 -6.421 -3.273 2.473 449 HG22 VAL 85 1HG2 VAL 85 -8.045 -4.002 2.582 450 HG23 VAL 85 2HG2 VAL 85 -7.401 -3.480 1.019 451 H HIS 86 H HIS 86 -7.409 0.211 5.445 452 HA HIS 86 HA HIS 86 -5.157 -1.352 6.374 453 HD1 HIS 86 HD1 HIS 86 -2.959 1.194 7.609 454 HD2 HIS 86 HD2 HIS 86 -5.739 -0.610 10.191 455 HE1 HIS 86 HE1 HIS 86 -1.682 0.622 9.761 456 HB2 HIS 86 2HB HIS 86 -5.330 1.084 6.666 457 HB3 HIS 86 3HB HIS 86 -6.602 0.866 7.867 458 H GLY 87 H GLY 87 -5.392 -3.324 7.326 459 HA2 GLY 87 2HA GLY 87 -5.424 -4.436 9.423 460 HA3 GLY 87 3HA GLY 87 -6.658 -3.340 10.032 461 H LYS 88 H LYS 88 -7.533 -4.125 6.973 462 HA LYS 88 HA LYS 88 -9.592 -6.141 7.582 463 HB2 LYS 88 2HB LYS 88 -8.565 -4.596 5.164 464 HB3 LYS 88 3HB LYS 88 -9.663 -5.880 4.993 465 HG2 LYS 88 2HG LYS 88 -10.888 -3.816 4.925 466 HG3 LYS 88 3HG LYS 88 -11.363 -4.669 6.400 467 HD2 LYS 88 2HD LYS 88 -10.183 -3.151 7.808 468 HD3 LYS 88 3HD LYS 88 -9.172 -2.584 6.476 469 HE2 LYS 88 2HE LYS 88 -11.238 -1.622 5.393 470 HE3 LYS 88 3HE LYS 88 -12.115 -1.984 6.886 471 HZ1 LYS 88 3HZ LYS 88 -10.560 -0.520 8.069 472 HZ2 LYS 88 1HZ LYS 88 -9.726 -0.204 6.706 473 HZ3 LYS 88 2HZ LYS 88 -11.269 0.307 6.838 474 H SER 89 H SER 89 -9.397 -8.271 6.871 475 HA SER 89 HA SER 89 -6.638 -9.266 6.604 476 HG SER 89 HG SER 89 -9.853 -11.012 6.296 477 HB2 SER 89 2HB SER 89 -7.716 -11.504 6.913 478 HB3 SER 89 3HB SER 89 -7.886 -10.353 8.241 479 H PHE 90 H PHE 90 -5.839 -8.955 4.482 480 HA PHE 90 HA PHE 90 -7.509 -10.061 2.246 481 HD1 PHE 90 HD1 PHE 90 -4.557 -10.425 0.120 482 HD2 PHE 90 HD2 PHE 90 -7.780 -7.570 0.252 483 HE1 PHE 90 HE1 PHE 90 -5.144 -10.973 -2.233 484 HE2 PHE 90 HE2 PHE 90 -8.323 -8.069 -2.115 485 HZ PHE 90 HZ PHE 90 -7.053 -9.822 -3.325 486 HB2 PHE 90 2HB PHE 90 -6.434 -7.860 2.073 487 HB3 PHE 90 3HB PHE 90 -4.870 -8.598 2.112 488 H ALA 91 H ALA 91 -6.976 -11.842 1.144 489 HA ALA 91 HA ALA 91 -6.282 -13.905 0.656 490 HB1 ALA 91 1HB ALA 91 -3.846 -14.244 0.410 491 HB2 ALA 91 2HB ALA 91 -4.391 -12.704 -0.253 492 HB3 ALA 91 3HB ALA 91 -3.545 -12.738 1.308 493 H ASN 92 H ASN 92 -4.341 -13.149 3.556 494 HA ASN 92 HA ASN 92 -5.381 -15.432 5.068 495 HB2 ASN 92 2HB ASN 92 -2.989 -16.334 5.371 496 HB3 ASN 92 3HB ASN 92 -3.779 -16.654 3.839 497 HD21 ASN 92 1HD2 ASN 92 -1.157 -14.786 5.368 498 HD22 ASN 92 2HD2 ASN 92 -0.473 -14.274 3.815 499 H GLN 93 H GLN 93 -4.139 -12.221 5.036 500 HA GLN 93 HA GLN 93 -4.204 -12.027 7.919 501 HB2 GLN 93 2HB GLN 93 -1.883 -11.466 8.306 502 HB3 GLN 93 3HB GLN 93 -2.017 -13.096 7.705 503 HG2 GLN 93 2HG GLN 93 -1.373 -12.188 5.419 504 HG3 GLN 93 3HG GLN 93 -1.041 -10.646 6.218 505 HE21 GLN 93 2HE2 GLN 93 0.820 -12.707 4.823 506 HE22 GLN 93 1HE2 GLN 93 2.030 -13.010 6.057 507 HA PRO 94 HA PRO 94 -5.020 -7.953 6.810 508 HB2 PRO 94 2HB PRO 94 -4.366 -6.387 9.010 509 HB3 PRO 94 3HB PRO 94 -5.728 -7.550 8.986 510 HG2 PRO 94 2HG PRO 94 -2.886 -8.023 9.968 511 HG3 PRO 94 3HG PRO 94 -4.425 -8.344 10.838 512 HD2 PRO 94 2HD PRO 94 -3.112 -10.285 9.517 513 HD3 PRO 94 3HD PRO 94 -4.895 -10.188 9.398 514 H LEU 95 H LEU 95 -4.555 -5.939 6.265 515 HA LEU 95 HA LEU 95 -1.913 -5.371 5.174 516 HG LEU 95 HG LEU 95 -4.331 -4.195 2.683 517 HB2 LEU 95 2HB LEU 95 -4.643 -3.997 5.261 518 HB3 LEU 95 3HB LEU 95 -3.273 -3.303 4.469 519 HD11 LEU 95 1HD1 LEU 95 -2.096 -5.242 2.756 520 HD12 LEU 95 2HD1 LEU 95 -2.845 -6.645 3.545 521 HD13 LEU 95 3HD1 LEU 95 -3.308 -6.211 1.882 522 HD21 LEU 95 3HD2 LEU 95 -5.724 -5.922 2.500 523 HD22 LEU 95 1HD2 LEU 95 -5.197 -6.703 4.024 524 HD23 LEU 95 2HD2 LEU 95 -6.151 -5.191 4.040 525 H GLU 96 H GLU 96 -0.760 -3.370 5.429 526 HA GLU 96 HA GLU 96 -1.397 -1.714 7.813 527 HB2 GLU 96 2HB GLU 96 0.552 -3.373 8.078 528 HB3 GLU 96 3HB GLU 96 1.454 -2.326 6.973 529 HG2 GLU 96 2HG GLU 96 0.819 -0.398 8.555 530 HG3 GLU 96 3HG GLU 96 0.270 -1.626 9.691 531 H VAL 97 H VAL 97 -2.506 -1.084 5.689 532 HA VAL 97 HA VAL 97 -1.284 0.580 3.677 533 HB VAL 97 HB VAL 97 -4.052 0.342 4.895 534 HG11 VAL 97 1HG1 VAL 97 -4.050 2.498 3.759 535 HG12 VAL 97 2HG1 VAL 97 -3.397 1.740 2.288 536 HG13 VAL 97 3HG1 VAL 97 -4.996 1.310 2.844 537 HG21 VAL 97 3HG2 VAL 97 -2.785 -1.543 3.400 538 HG22 VAL 97 1HG2 VAL 97 -4.524 -1.302 3.310 539 HG23 VAL 97 2HG2 VAL 97 -3.444 -0.600 2.073 540 H VAL 98 H VAL 98 -0.045 2.530 4.570 541 HA VAL 98 HA VAL 98 -1.566 4.202 6.441 542 HB VAL 98 HB VAL 98 -0.613 1.900 7.416 543 HG11 VAL 98 1HG1 VAL 98 1.360 1.691 8.423 544 HG12 VAL 98 2HG1 VAL 98 1.765 2.181 6.777 545 HG13 VAL 98 3HG1 VAL 98 1.882 3.322 8.165 546 HG21 VAL 98 3HG2 VAL 98 -0.741 4.470 8.871 547 HG22 VAL 98 1HG2 VAL 98 -2.028 3.294 8.440 548 HG23 VAL 98 2HG2 VAL 98 -0.740 2.821 9.570 549 H TYR 99 H TYR 99 1.169 4.763 7.615 550 HA TYR 99 HA TYR 99 2.355 6.532 5.518 551 HD1 TYR 99 HD1 TYR 99 0.441 7.743 5.773 552 HD2 TYR 99 HD2 TYR 99 1.767 8.552 9.807 553 HE1 TYR 99 HE1 TYR 99 -1.410 9.340 6.059 554 HE2 TYR 99 HE2 TYR 99 -0.138 10.126 10.102 555 HH TYR 99 HH TYR 99 -2.503 10.780 7.496 556 HB2 TYR 99 2HB TYR 99 2.695 6.684 8.549 557 HB3 TYR 99 3HB TYR 99 3.304 7.785 7.330 558 H SER 100 H SER 100 2.985 4.160 4.818 559 HA SER 100 HA SER 100 4.314 2.424 6.200 560 HG SER 100 HG SER 100 5.896 0.902 3.476 561 HB2 SER 100 2HB SER 100 3.831 1.938 3.936 562 HB3 SER 100 3HB SER 100 5.117 2.986 3.444 563 H LYS 101 H LYS 101 6.250 1.795 6.964 564 HA LYS 101 HA LYS 101 7.896 3.819 8.134 565 HB2 LYS 101 2HB LYS 101 7.971 0.770 8.174 566 HB3 LYS 101 3HB LYS 101 8.961 1.789 9.225 567 HG2 LYS 101 2HG LYS 101 7.042 2.744 10.316 568 HG3 LYS 101 3HG LYS 101 5.922 1.978 9.174 569 HD2 LYS 101 2HD LYS 101 6.489 -0.244 9.991 570 HD3 LYS 101 3HD LYS 101 7.758 0.418 11.032 571 HE2 LYS 101 2HE LYS 101 5.773 -0.132 12.333 572 HE3 LYS 101 3HE LYS 101 6.113 1.599 12.393 573 HZ1 LYS 101 3HZ LYS 101 4.329 1.967 10.820 574 HZ2 LYS 101 1HZ LYS 101 4.073 0.362 10.601 575 HZ3 LYS 101 2HZ LYS 101 3.735 1.065 12.038 576 H LEU 102 H LEU 102 8.262 3.347 5.118 577 HA LEU 102 HA LEU 102 11.249 3.106 5.065 578 HG LEU 102 HG LEU 102 11.520 0.802 4.282 579 HB2 LEU 102 2HB LEU 102 9.158 2.275 3.018 580 HB3 LEU 102 3HB LEU 102 10.841 2.573 2.611 581 HD11 LEU 102 1HD1 LEU 102 8.532 0.176 4.214 582 HD12 LEU 102 2HD1 LEU 102 9.787 -0.967 4.743 583 HD13 LEU 102 3HD1 LEU 102 9.525 0.512 5.651 584 HD21 LEU 102 3HD2 LEU 102 11.479 0.436 1.853 585 HD22 LEU 102 1HD2 LEU 102 10.978 -1.030 2.711 586 HD23 LEU 102 2HD2 LEU 102 9.759 0.003 1.931 587 HA PRO 103 HA PRO 103 10.706 7.366 3.578 588 HB2 PRO 103 2HB PRO 103 13.273 8.208 3.596 589 HB3 PRO 103 3HB PRO 103 12.434 7.769 5.109 590 HG2 PRO 103 2HG PRO 103 14.287 6.024 3.446 591 HG3 PRO 103 3HG PRO 103 14.375 6.358 5.206 592 HD2 PRO 103 2HD PRO 103 13.134 4.133 4.175 593 HD3 PRO 103 3HD PRO 103 12.564 4.943 5.667 594 H ALA 104 H ALA 104 12.047 4.816 1.774 595 HA ALA 104 HA ALA 104 12.282 6.409 -0.729 596 HB1 ALA 104 1HB ALA 104 14.540 5.999 0.183 597 HB2 ALA 104 2HB ALA 104 14.194 4.256 0.279 598 HB3 ALA 104 3HB ALA 104 14.276 5.062 -1.293 Start of MODEL 2 1 H GLU 28 H GLU 28 6.341 14.374 11.245 2 HA GLU 28 HA GLU 28 5.054 14.618 9.248 3 HB2 GLU 28 2HB GLU 28 7.529 16.085 8.234 4 HB3 GLU 28 3HB GLU 28 6.309 15.400 7.174 5 HG2 GLU 28 2HG GLU 28 5.731 17.630 7.304 6 HG3 GLU 28 3HG GLU 28 4.555 16.799 8.305 7 H LEU 29 H LEU 29 5.522 13.377 7.142 8 HA LEU 29 HA LEU 29 7.512 11.186 7.382 9 HG LEU 29 HG LEU 29 5.032 8.564 8.388 10 HB2 LEU 29 2HB LEU 29 4.925 10.943 8.434 11 HB3 LEU 29 3HB LEU 29 4.700 10.375 6.824 12 HD11 LEU 29 1HD1 LEU 29 6.679 7.200 7.379 13 HD12 LEU 29 2HD1 LEU 29 6.096 8.251 6.120 14 HD13 LEU 29 3HD1 LEU 29 7.662 8.597 6.867 15 HD21 LEU 29 3HD2 LEU 29 7.778 9.673 9.000 16 HD22 LEU 29 1HD2 LEU 29 6.350 9.783 10.060 17 HD23 LEU 29 2HD2 LEU 29 7.033 8.194 9.646 18 H SER 30 H SER 30 6.854 9.657 5.333 19 HA SER 30 HA SER 30 7.148 11.118 2.911 20 HG SER 30 HG SER 30 7.602 7.541 4.039 21 HB2 SER 30 2HB SER 30 5.991 8.365 3.034 22 HB3 SER 30 3HB SER 30 7.176 9.012 1.896 23 H ASN 31 H ASN 31 4.400 10.876 4.747 24 HA ASN 31 HA ASN 31 2.210 11.086 4.613 25 HB2 ASN 31 2HB ASN 31 2.825 13.111 2.515 26 HB3 ASN 31 3HB ASN 31 1.497 13.125 3.649 27 HD21 ASN 31 2HD2 ASN 31 3.862 15.007 3.147 28 HD22 ASN 31 1HD2 ASN 31 4.542 15.214 4.751 29 H THR 32 H THR 32 3.250 9.624 1.694 30 HA THR 32 HA THR 32 0.421 9.390 0.758 31 HB THR 32 HB THR 32 1.032 9.973 -1.434 32 HG1 THR 32 1HG THR 32 2.993 10.134 -2.143 33 HG21 THR 32 1HG2 THR 32 0.818 11.933 0.172 34 HG22 THR 32 2HG2 THR 32 2.595 12.006 0.169 35 HG23 THR 32 3HG2 THR 32 1.695 12.225 -1.339 36 H ARG 33 H ARG 33 1.973 7.046 1.981 37 HA ARG 33 HA ARG 33 2.325 5.415 -0.504 38 HE ARG 33 HE ARG 33 6.274 7.542 -2.031 39 HB2 ARG 33 2HB ARG 33 4.415 5.737 1.625 40 HB3 ARG 33 3HB ARG 33 4.348 4.413 0.465 41 HG2 ARG 33 2HG ARG 33 5.939 5.658 -0.407 42 HG3 ARG 33 3HG ARG 33 4.517 6.022 -1.381 43 HD2 ARG 33 2HD ARG 33 4.314 8.184 -0.045 44 HD3 ARG 33 3HD ARG 33 5.832 7.742 0.744 45 HH11 ARG 33 2HH1 ARG 33 5.553 10.308 0.050 46 HH12 ARG 33 1HH1 ARG 33 6.387 11.388 -1.014 47 HH21 ARG 33 1HH2 ARG 33 6.925 9.060 -3.459 48 HH22 ARG 33 2HH2 ARG 33 7.149 10.706 -2.931 49 H LEU 34 H LEU 34 1.624 3.516 -0.482 50 HA LEU 34 HA LEU 34 0.562 2.443 2.044 51 HG LEU 34 HG LEU 34 -2.322 3.110 -0.242 52 HB2 LEU 34 2HB LEU 34 -0.288 1.581 -0.624 53 HB3 LEU 34 3HB LEU 34 -1.164 1.470 0.850 54 HD11 LEU 34 1HD1 LEU 34 -1.566 3.991 2.017 55 HD12 LEU 34 2HD1 LEU 34 -0.470 5.058 1.142 56 HD13 LEU 34 3HD1 LEU 34 -2.194 5.156 0.869 57 HD21 LEU 34 3HD2 LEU 34 -0.355 5.064 -1.155 58 HD22 LEU 34 1HD2 LEU 34 -0.066 3.470 -1.847 59 HD23 LEU 34 2HD2 LEU 34 -1.635 4.205 -2.033 60 H PHE 35 H PHE 35 1.535 0.848 3.001 61 HA PHE 35 HA PHE 35 3.500 -0.753 1.491 62 HD1 PHE 35 HD2 PHE 35 4.916 -2.378 2.059 63 HD2 PHE 35 HD1 PHE 35 5.507 -0.142 5.706 64 HE1 PHE 35 HE2 PHE 35 6.667 -3.959 2.739 65 HE2 PHE 35 HE1 PHE 35 7.277 -1.755 6.379 66 HZ PHE 35 HZ PHE 35 7.852 -3.662 4.894 67 HB2 PHE 35 2HB PHE 35 4.535 0.651 2.885 68 HB3 PHE 35 3HB PHE 35 3.647 0.508 4.234 69 H VAL 36 H VAL 36 2.674 -2.438 0.917 70 HA VAL 36 HA VAL 36 0.504 -3.805 2.453 71 HB VAL 36 HB VAL 36 0.881 -2.770 -0.356 72 HG11 VAL 36 1HG1 VAL 36 -1.304 -4.584 0.447 73 HG12 VAL 36 2HG1 VAL 36 -1.431 -3.350 -0.838 74 HG13 VAL 36 3HG1 VAL 36 -0.212 -4.571 -0.998 75 HG21 VAL 36 3HG2 VAL 36 -1.235 -1.504 0.258 76 HG22 VAL 36 1HG2 VAL 36 -1.348 -2.461 1.746 77 HG23 VAL 36 2HG2 VAL 36 -0.071 -1.241 1.519 78 H ARG 37 H ARG 37 1.741 -5.286 3.301 79 HA ARG 37 HA ARG 37 3.358 -7.103 1.562 80 HE ARG 37 HE ARG 37 4.291 -4.494 6.949 81 HB2 ARG 37 2HB ARG 37 5.012 -7.110 3.417 82 HB3 ARG 37 3HB ARG 37 4.798 -5.564 2.633 83 HG2 ARG 37 2HG ARG 37 3.845 -4.575 4.502 84 HG3 ARG 37 3HG ARG 37 3.207 -6.096 5.146 85 HD2 ARG 37 2HD ARG 37 5.366 -6.825 5.884 86 HD3 ARG 37 3HD ARG 37 6.185 -5.545 4.985 87 HH11 ARG 37 1HH2 ARG 37 7.617 -5.650 6.698 88 HH12 ARG 37 2HH2 ARG 37 8.090 -4.663 8.067 89 HH21 ARG 37 2HH1 ARG 37 5.094 -3.296 8.713 90 HH22 ARG 37 1HH1 ARG 37 6.781 -3.604 9.175 91 HA PRO 38 HA PRO 38 1.241 -9.961 4.722 92 HB2 PRO 38 2HB PRO 38 -1.326 -10.435 4.000 93 HB3 PRO 38 3HB PRO 38 -0.902 -8.981 4.949 94 HG2 PRO 38 2HG PRO 38 -1.260 -9.117 1.957 95 HG3 PRO 38 3HG PRO 38 -2.047 -8.040 3.135 96 HD2 PRO 38 2HD PRO 38 0.194 -7.247 1.837 97 HD3 PRO 38 3HD PRO 38 -0.036 -6.846 3.562 98 H PHE 39 H PHE 39 0.810 -9.744 1.245 99 HA PHE 39 HA PHE 39 -0.041 -12.446 0.828 100 HD1 PHE 39 HD2 PHE 39 1.406 -8.624 -0.524 101 HD2 PHE 39 HD1 PHE 39 -2.459 -10.539 -0.824 102 HE1 PHE 39 HE2 PHE 39 0.312 -6.466 -0.514 103 HE2 PHE 39 HE1 PHE 39 -3.550 -8.300 -0.877 104 HZ PHE 39 HZ PHE 39 -2.184 -6.260 -0.762 105 HB2 PHE 39 2HB PHE 39 1.084 -10.942 -1.478 106 HB3 PHE 39 3HB PHE 39 -0.438 -11.779 -1.319 107 HA PRO 40 HA PRO 40 3.845 -14.200 -0.399 108 HB2 PRO 40 2HB PRO 40 2.194 -15.803 -2.391 109 HB3 PRO 40 3HB PRO 40 3.392 -16.396 -1.206 110 HG2 PRO 40 2HG PRO 40 0.720 -16.689 -0.784 111 HG3 PRO 40 3HG PRO 40 1.832 -16.274 0.557 112 HD2 PRO 40 2HD PRO 40 0.039 -14.427 -1.022 113 HD3 PRO 40 3HD PRO 40 0.362 -14.489 0.726 114 H LEU 41 H LEU 41 4.658 -15.116 -2.846 115 HA LEU 41 HA LEU 41 5.011 -12.785 -4.537 116 HG LEU 41 HG LEU 41 7.401 -13.049 -4.505 117 HB2 LEU 41 2HB LEU 41 5.886 -15.697 -4.674 118 HB3 LEU 41 3HB LEU 41 6.162 -14.574 -5.997 119 HD11 LEU 41 1HD1 LEU 41 7.281 -15.364 -2.521 120 HD12 LEU 41 2HD1 LEU 41 8.419 -14.005 -2.431 121 HD13 LEU 41 3HD1 LEU 41 6.694 -13.706 -2.250 122 HD21 LEU 41 3HD2 LEU 41 9.434 -14.433 -4.528 123 HD22 LEU 41 1HD2 LEU 41 8.431 -15.892 -4.743 124 HD23 LEU 41 2HD2 LEU 41 8.483 -14.643 -6.007 125 H ASP 42 H ASP 42 2.361 -13.228 -4.276 126 HA ASP 42 HA ASP 42 1.418 -13.843 -7.034 127 HB2 ASP 42 2HB ASP 42 -0.583 -14.783 -6.123 128 HB3 ASP 42 3HB ASP 42 0.846 -15.684 -5.612 129 H VAL 43 H VAL 43 1.759 -11.345 -4.954 130 HA VAL 43 HA VAL 43 -0.651 -9.888 -5.939 131 HB VAL 43 HB VAL 43 -0.211 -9.599 -3.577 132 HG11 VAL 43 1HG1 VAL 43 2.188 -9.979 -3.511 133 HG12 VAL 43 2HG1 VAL 43 2.498 -8.471 -4.403 134 HG13 VAL 43 3HG1 VAL 43 1.812 -8.403 -2.781 135 HG21 VAL 43 3HG2 VAL 43 0.431 -7.008 -5.058 136 HG22 VAL 43 1HG2 VAL 43 -1.192 -7.703 -4.875 137 HG23 VAL 43 2HG2 VAL 43 -0.284 -7.191 -3.450 138 H GLN 44 H GLN 44 -0.522 -8.245 -7.368 139 HA GLN 44 HA GLN 44 2.045 -7.237 -8.375 140 HB2 GLN 44 2HB GLN 44 0.021 -8.499 -10.287 141 HB3 GLN 44 3HB GLN 44 1.477 -7.641 -10.702 142 HG2 GLN 44 2HG GLN 44 1.977 -9.854 -11.068 143 HG3 GLN 44 3HG GLN 44 2.844 -9.387 -9.594 144 HE21 GLN 44 2HE2 GLN 44 -0.663 -10.270 -9.473 145 HE22 GLN 44 1HE2 GLN 44 -0.325 -11.735 -8.573 146 H GLU 45 H GLU 45 1.475 -5.528 -10.161 147 HA GLU 45 HA GLU 45 -0.139 -3.507 -9.066 148 HB2 GLU 45 2HB GLU 45 0.248 -2.283 -11.009 149 HB3 GLU 45 3HB GLU 45 1.685 -3.277 -10.816 150 HG2 GLU 45 2HG GLU 45 -0.640 -3.731 -12.724 151 HG3 GLU 45 3HG GLU 45 0.962 -3.149 -13.160 152 H SER 46 H SER 46 -1.232 -6.141 -11.163 153 HA SER 46 HA SER 46 -3.812 -5.027 -11.768 154 HG SER 46 HG SER 46 -1.792 -6.584 -13.248 155 HB2 SER 46 2HB SER 46 -2.809 -7.898 -11.674 156 HB3 SER 46 3HB SER 46 -4.380 -7.397 -12.322 157 H GLU 47 H GLU 47 -2.598 -6.773 -8.883 158 HA GLU 47 HA GLU 47 -5.280 -7.483 -7.876 159 HB2 GLU 47 2HB GLU 47 -2.351 -7.882 -7.105 160 HB3 GLU 47 3HB GLU 47 -3.620 -8.136 -5.954 161 HG2 GLU 47 2HG GLU 47 -2.991 -10.232 -6.993 162 HG3 GLU 47 3HG GLU 47 -4.670 -9.828 -7.366 163 H LEU 48 H LEU 48 -2.545 -5.257 -7.414 164 HA LEU 48 HA LEU 48 -3.725 -3.703 -5.287 165 HG LEU 48 HG LEU 48 -1.012 -4.925 -5.830 166 HB2 LEU 48 2HB LEU 48 -1.711 -3.012 -7.454 167 HB3 LEU 48 3HB LEU 48 -2.050 -2.069 -6.083 168 HD11 LEU 48 1HD1 LEU 48 0.608 -2.378 -5.633 169 HD12 LEU 48 2HD1 LEU 48 1.162 -4.063 -5.595 170 HD13 LEU 48 3HD1 LEU 48 0.504 -3.374 -7.091 171 HD21 LEU 48 3HD2 LEU 48 -0.212 -4.145 -3.689 172 HD22 LEU 48 1HD2 LEU 48 -0.952 -2.532 -3.982 173 HD23 LEU 48 2HD2 LEU 48 -1.973 -4.009 -3.783 174 H ASN 49 H ASN 49 -3.895 -3.603 -8.886 175 HA ASN 49 HA ASN 49 -5.616 -1.273 -8.971 176 HB2 ASN 49 2HB ASN 49 -4.945 -3.420 -10.924 177 HB3 ASN 49 3HB ASN 49 -6.503 -2.653 -11.145 178 HD21 ASN 49 2HD2 ASN 49 -3.031 -1.972 -10.886 179 HD22 ASN 49 1HD2 ASN 49 -3.118 -0.484 -11.839 180 H GLU 50 H GLU 50 -6.532 -4.736 -8.588 181 HA GLU 50 HA GLU 50 -9.354 -4.256 -8.383 182 HB2 GLU 50 2HB GLU 50 -7.449 -6.365 -7.438 183 HB3 GLU 50 3HB GLU 50 -9.080 -6.377 -6.779 184 HG2 GLU 50 2HG GLU 50 -8.425 -6.368 -9.766 185 HG3 GLU 50 3HG GLU 50 -8.664 -7.832 -8.821 186 H ILE 51 H ILE 51 -6.837 -4.082 -5.858 187 HA ILE 51 HA ILE 51 -8.778 -3.603 -3.713 188 HB ILE 51 HB ILE 51 -5.788 -3.679 -3.946 189 HG12 ILE 51 2HG1 ILE 51 -7.631 -5.641 -2.515 190 HG13 ILE 51 3HG1 ILE 51 -7.133 -5.838 -4.187 191 HG21 ILE 51 1HG2 ILE 51 -7.410 -3.399 -1.377 192 HG22 ILE 51 2HG2 ILE 51 -5.664 -3.729 -1.437 193 HG23 ILE 51 3HG2 ILE 51 -6.273 -2.195 -2.031 194 HD11 ILE 51 3HD1 ILE 51 -5.684 -7.209 -2.898 195 HD12 ILE 51 1HD1 ILE 51 -4.715 -5.821 -3.423 196 HD13 ILE 51 2HD1 ILE 51 -5.318 -5.916 -1.751 197 H PHE 52 H PHE 52 -6.521 -1.561 -5.522 198 HA PHE 52 HA PHE 52 -6.961 0.811 -3.849 199 HD1 PHE 52 HD2 PHE 52 -4.672 -1.835 -4.183 200 HD2 PHE 52 HD1 PHE 52 -3.928 2.313 -3.275 201 HE1 PHE 52 HE2 PHE 52 -2.965 -2.512 -2.548 202 HE2 PHE 52 HE1 PHE 52 -2.094 1.624 -1.816 203 HZ PHE 52 HZ PHE 52 -1.479 -0.784 -1.601 204 HB2 PHE 52 2HB PHE 52 -4.942 0.211 -5.938 205 HB3 PHE 52 3HB PHE 52 -5.134 1.769 -5.185 206 H GLY 53 H GLY 53 -7.728 -0.412 -7.072 207 HA2 GLY 53 2HA GLY 53 -8.275 1.883 -8.558 208 HA3 GLY 53 3HA GLY 53 -9.166 0.362 -8.656 209 HA PRO 54 HA PRO 54 -12.609 2.241 -6.303 210 HB2 PRO 54 2HB PRO 54 -11.774 1.483 -3.517 211 HB3 PRO 54 3HB PRO 54 -13.339 1.213 -4.342 212 HG2 PRO 54 2HG PRO 54 -11.610 -0.842 -3.988 213 HG3 PRO 54 3HG PRO 54 -12.447 -0.653 -5.565 214 HD2 PRO 54 2HD PRO 54 -9.713 0.369 -4.766 215 HD3 PRO 54 3HD PRO 54 -10.080 -0.694 -6.148 216 H PHE 55 H PHE 55 -9.420 2.906 -4.869 217 HA PHE 55 HA PHE 55 -10.210 5.335 -3.459 218 HD1 PHE 55 HD1 PHE 55 -10.166 3.390 -2.169 219 HD2 PHE 55 HD2 PHE 55 -5.940 3.223 -2.972 220 HE1 PHE 55 HE1 PHE 55 -10.017 1.279 -0.903 221 HE2 PHE 55 HE2 PHE 55 -5.748 1.252 -1.406 222 HZ PHE 55 HZ PHE 55 -7.829 0.253 -0.458 223 HB2 PHE 55 2HB PHE 55 -7.388 4.548 -4.279 224 HB3 PHE 55 3HB PHE 55 -7.875 5.579 -2.983 225 H GLY 56 H GLY 56 -8.332 4.522 -6.344 226 HA2 GLY 56 2HA GLY 56 -9.047 5.508 -8.382 227 HA3 GLY 56 3HA GLY 56 -9.186 7.071 -7.575 228 HA PRO 57 HA PRO 57 -5.360 8.220 -9.066 229 HB2 PRO 57 2HB PRO 57 -4.298 9.981 -7.306 230 HB3 PRO 57 3HB PRO 57 -5.967 10.145 -7.912 231 HG2 PRO 57 2HG PRO 57 -5.063 8.811 -5.334 232 HG3 PRO 57 3HG PRO 57 -6.272 10.130 -5.522 233 HD2 PRO 57 2HD PRO 57 -6.978 7.490 -5.401 234 HD3 PRO 57 3HD PRO 57 -7.867 8.665 -6.419 235 H MET 58 H MET 58 -4.851 5.585 -7.433 236 HA MET 58 HA MET 58 -2.262 5.178 -6.422 237 HB2 MET 58 2HB MET 58 -2.319 3.029 -7.536 238 HB3 MET 58 3HB MET 58 -3.683 3.408 -6.479 239 HG2 MET 58 2HG MET 58 -5.063 3.966 -8.465 240 HG3 MET 58 3HG MET 58 -3.730 3.462 -9.509 241 HE1 MET 58 3HE MET 58 -3.658 -0.410 -8.094 242 HE2 MET 58 1HE MET 58 -2.592 0.861 -8.734 243 HE3 MET 58 2HE MET 58 -3.141 0.910 -7.029 244 H LYS 59 H LYS 59 -0.786 6.637 -7.061 245 HA LYS 59 HA LYS 59 -0.206 7.275 -9.808 246 HB2 LYS 59 2HB LYS 59 -0.531 8.720 -7.738 247 HB3 LYS 59 3HB LYS 59 0.971 8.063 -7.114 248 HG2 LYS 59 2HG LYS 59 0.861 9.607 -9.700 249 HG3 LYS 59 3HG LYS 59 0.817 10.378 -8.128 250 HD2 LYS 59 2HD LYS 59 3.097 8.820 -9.313 251 HD3 LYS 59 3HD LYS 59 2.945 10.490 -8.759 252 HE2 LYS 59 2HE LYS 59 2.916 9.851 -6.448 253 HE3 LYS 59 3HE LYS 59 3.014 8.135 -6.892 254 HZ1 LYS 59 3HZ LYS 59 5.220 8.970 -6.353 255 HZ2 LYS 59 1HZ LYS 59 5.177 8.630 -7.951 256 HZ3 LYS 59 2HZ LYS 59 5.096 10.182 -7.456 257 H GLU 60 H GLU 60 1.343 5.428 -7.197 258 HA GLU 60 HA GLU 60 3.143 4.240 -9.157 259 HB2 GLU 60 2HB GLU 60 4.159 6.271 -7.338 260 HB3 GLU 60 3HB GLU 60 4.889 4.716 -6.949 261 HG2 GLU 60 2HG GLU 60 4.789 5.803 -9.798 262 HG3 GLU 60 3HG GLU 60 6.027 6.251 -8.648 263 H VAL 61 H VAL 61 4.276 2.508 -8.553 264 HA VAL 61 HA VAL 61 3.004 0.762 -6.515 265 HB VAL 61 HB VAL 61 2.831 0.070 -9.503 266 HG11 VAL 61 1HG1 VAL 61 1.182 -0.886 -7.160 267 HG12 VAL 61 2HG1 VAL 61 1.249 -1.583 -8.790 268 HG13 VAL 61 3HG1 VAL 61 2.662 -1.694 -7.726 269 HG21 VAL 61 3HG2 VAL 61 1.361 2.008 -9.402 270 HG22 VAL 61 1HG2 VAL 61 0.416 0.530 -9.537 271 HG23 VAL 61 2HG2 VAL 61 0.538 1.348 -7.976 272 H LYS 62 H LYS 62 4.676 -0.175 -5.675 273 HA LYS 62 HA LYS 62 6.940 -1.116 -7.409 274 HB2 LYS 62 2HB LYS 62 6.893 -0.297 -4.495 275 HB3 LYS 62 3HB LYS 62 8.321 -0.661 -5.425 276 HG2 LYS 62 2HG LYS 62 6.568 1.630 -6.402 277 HG3 LYS 62 3HG LYS 62 7.392 1.842 -4.897 278 HD2 LYS 62 2HD LYS 62 8.705 2.747 -6.760 279 HD3 LYS 62 3HD LYS 62 9.565 1.422 -5.986 280 HE2 LYS 62 2HE LYS 62 9.870 1.253 -8.356 281 HE3 LYS 62 3HE LYS 62 8.878 -0.107 -7.833 282 HZ1 LYS 62 3HZ LYS 62 8.088 1.049 -9.895 283 HZ2 LYS 62 1HZ LYS 62 6.932 1.018 -8.749 284 HZ3 LYS 62 2HZ LYS 62 7.766 2.396 -9.021 285 H ILE 63 H ILE 63 6.891 -3.213 -7.653 286 HA ILE 63 HA ILE 63 5.524 -4.957 -5.634 287 HB ILE 63 HB ILE 63 6.086 -5.678 -8.519 288 HG12 ILE 63 2HG1 ILE 63 4.626 -3.756 -8.690 289 HG13 ILE 63 3HG1 ILE 63 3.850 -5.240 -9.196 290 HG21 ILE 63 1HG2 ILE 63 5.695 -7.582 -7.046 291 HG22 ILE 63 2HG2 ILE 63 4.205 -6.853 -6.432 292 HG23 ILE 63 3HG2 ILE 63 4.319 -7.383 -8.122 293 HD11 ILE 63 3HD1 ILE 63 3.321 -3.751 -6.584 294 HD12 ILE 63 1HD1 ILE 63 2.287 -3.891 -8.015 295 HD13 ILE 63 2HD1 ILE 63 2.578 -5.307 -7.018 296 H LEU 64 H LEU 64 6.760 -6.254 -4.501 297 HA LEU 64 HA LEU 64 9.336 -7.374 -5.537 298 HG LEU 64 HG LEU 64 10.593 -5.021 -4.764 299 HB2 LEU 64 2HB LEU 64 8.839 -6.417 -2.713 300 HB3 LEU 64 3HB LEU 64 10.316 -7.015 -3.397 301 HD11 LEU 64 1HD1 LEU 64 8.860 -3.730 -5.272 302 HD12 LEU 64 2HD1 LEU 64 7.938 -4.152 -3.810 303 HD13 LEU 64 3HD1 LEU 64 9.224 -2.927 -3.764 304 HD21 LEU 64 3HD2 LEU 64 11.149 -3.543 -2.878 305 HD22 LEU 64 1HD2 LEU 64 10.220 -4.638 -1.820 306 HD23 LEU 64 2HD2 LEU 64 11.662 -5.227 -2.657 307 H ASN 65 H ASN 65 10.042 -9.140 -4.003 308 HA ASN 65 HA ASN 65 8.474 -11.366 -3.671 309 HB2 ASN 65 2HB ASN 65 9.957 -11.606 -1.477 310 HB3 ASN 65 3HB ASN 65 10.615 -11.828 -3.096 311 HD21 ASN 65 2HD2 ASN 65 9.936 -9.053 -0.888 312 HD22 ASN 65 1HD2 ASN 65 11.523 -8.301 -1.109 313 H GLY 66 H GLY 66 6.349 -11.224 -2.987 314 HA2 GLY 66 2HA GLY 66 4.678 -11.345 -1.382 315 HA3 GLY 66 3HA GLY 66 5.917 -11.170 -0.149 316 H PHE 67 H PHE 67 6.368 -8.507 -2.050 317 HA PHE 67 HA PHE 67 4.630 -6.844 -0.245 318 HD1 PHE 67 HD1 PHE 67 5.677 -7.990 1.522 319 HD2 PHE 67 HD2 PHE 67 9.356 -6.261 0.102 320 HE1 PHE 67 HE1 PHE 67 6.888 -9.114 3.337 321 HE2 PHE 67 HE2 PHE 67 10.589 -7.417 1.917 322 HZ PHE 67 HZ PHE 67 9.365 -8.845 3.552 323 HB2 PHE 67 2HB PHE 67 7.369 -6.112 -1.217 324 HB3 PHE 67 3HB PHE 67 6.412 -5.309 -0.001 325 H ALA 68 H ALA 68 3.851 -4.991 -0.858 326 HA ALA 68 HA ALA 68 4.198 -3.808 -3.612 327 HB1 ALA 68 1HB ALA 68 1.864 -3.248 -3.498 328 HB2 ALA 68 2HB ALA 68 2.143 -5.010 -3.608 329 HB3 ALA 68 3HB ALA 68 1.672 -4.269 -2.064 330 H PHE 69 H PHE 69 4.767 -1.773 -3.465 331 HA PHE 69 HA PHE 69 4.009 -0.229 -1.069 332 HD1 PHE 69 HD2 PHE 69 6.915 -2.223 -2.696 333 HD2 PHE 69 HD1 PHE 69 7.137 -0.001 0.988 334 HE1 PHE 69 HE2 PHE 69 8.180 -4.048 -1.668 335 HE2 PHE 69 HE1 PHE 69 8.604 -1.764 1.935 336 HZ PHE 69 HZ PHE 69 9.185 -3.803 0.522 337 HB2 PHE 69 2HB PHE 69 6.611 0.412 -2.461 338 HB3 PHE 69 3HB PHE 69 6.031 0.963 -0.915 339 H VAL 70 H VAL 70 2.308 0.603 -1.916 340 HA VAL 70 HA VAL 70 2.335 1.808 -4.615 341 HB VAL 70 HB VAL 70 -0.055 1.554 -2.758 342 HG11 VAL 70 1HG1 VAL 70 -0.449 2.821 -4.934 343 HG12 VAL 70 2HG1 VAL 70 0.113 1.316 -5.765 344 HG13 VAL 70 3HG1 VAL 70 -1.347 1.278 -4.778 345 HG21 VAL 70 3HG2 VAL 70 -0.604 -0.461 -4.104 346 HG22 VAL 70 1HG2 VAL 70 1.057 -0.343 -4.788 347 HG23 VAL 70 2HG2 VAL 70 0.778 -0.673 -3.006 348 H GLU 71 H GLU 71 1.329 3.966 -4.834 349 HA GLU 71 HA GLU 71 2.047 5.864 -2.626 350 HB2 GLU 71 2HB GLU 71 4.103 5.024 -3.881 351 HB3 GLU 71 3HB GLU 71 3.389 5.667 -5.345 352 HG2 GLU 71 2HG GLU 71 3.527 7.914 -4.631 353 HG3 GLU 71 3HG GLU 71 3.817 7.463 -2.960 354 H PHE 72 H PHE 72 1.366 7.907 -2.997 355 HA PHE 72 HA PHE 72 -0.102 8.623 -5.493 356 HD1 PHE 72 HD1 PHE 72 -2.562 7.436 -5.421 357 HD2 PHE 72 HD2 PHE 72 -1.675 7.855 -1.241 358 HE1 PHE 72 HE1 PHE 72 -4.178 5.611 -4.893 359 HE2 PHE 72 HE2 PHE 72 -3.314 6.063 -0.734 360 HZ PHE 72 HZ PHE 72 -4.561 4.949 -2.546 361 HB2 PHE 72 2HB PHE 72 -0.907 9.479 -2.714 362 HB3 PHE 72 3HB PHE 72 -1.760 9.695 -4.217 363 H GLU 73 H GLU 73 -0.324 11.004 -5.713 364 HA GLU 73 HA GLU 73 2.280 12.267 -5.048 365 HB2 GLU 73 2HB GLU 73 1.782 13.901 -6.767 366 HB3 GLU 73 3HB GLU 73 1.817 12.241 -7.334 367 HG2 GLU 73 2HG GLU 73 -0.684 12.196 -7.333 368 HG3 GLU 73 3HG GLU 73 -0.705 13.860 -6.751 369 H GLU 74 H GLU 74 -0.783 12.267 -3.664 370 HA GLU 74 HA GLU 74 -0.020 14.511 -1.944 371 HB2 GLU 74 2HB GLU 74 -2.392 15.427 -1.969 372 HB3 GLU 74 3HB GLU 74 -1.337 15.838 -3.304 373 HG2 GLU 74 2HG GLU 74 -3.698 15.345 -3.952 374 HG3 GLU 74 3HG GLU 74 -2.478 14.447 -4.839 375 H ALA 75 H ALA 75 -1.952 14.605 -0.111 376 HA ALA 75 HA ALA 75 -1.746 11.859 1.006 377 HB1 ALA 75 1HB ALA 75 -0.393 13.655 2.015 378 HB2 ALA 75 2HB ALA 75 -1.880 14.554 2.403 379 HB3 ALA 75 3HB ALA 75 -1.563 12.975 3.156 380 H GLU 76 H GLU 76 -4.297 13.545 -0.328 381 HA GLU 76 HA GLU 76 -6.352 12.910 1.728 382 HB2 GLU 76 2HB GLU 76 -6.685 13.630 -1.201 383 HB3 GLU 76 3HB GLU 76 -7.941 13.619 0.023 384 HG2 GLU 76 2HG GLU 76 -5.602 15.557 -0.169 385 HG3 GLU 76 3HG GLU 76 -7.304 15.912 -0.429 386 H SER 77 H SER 77 -5.059 11.697 -1.305 387 HA SER 77 HA SER 77 -6.652 9.364 -1.749 388 HG SER 77 HG SER 77 -3.379 11.019 -2.950 389 HB2 SER 77 2HB SER 77 -4.595 8.719 -3.034 390 HB3 SER 77 3HB SER 77 -5.192 10.339 -3.394 391 H ALA 78 H ALA 78 -3.544 9.834 -0.085 392 HA ALA 78 HA ALA 78 -3.341 7.230 1.051 393 HB1 ALA 78 1HB ALA 78 -1.514 8.826 0.890 394 HB2 ALA 78 2HB ALA 78 -2.237 9.822 2.177 395 HB3 ALA 78 3HB ALA 78 -1.676 8.164 2.521 396 H ALA 79 H ALA 79 -4.800 10.200 2.551 397 HA ALA 79 HA ALA 79 -5.681 9.033 4.933 398 HB1 ALA 79 1HB ALA 79 -5.761 11.435 4.446 399 HB2 ALA 79 2HB ALA 79 -7.089 11.166 3.293 400 HB3 ALA 79 3HB ALA 79 -7.323 10.825 5.018 401 H LYS 80 H LYS 80 -7.534 9.060 1.779 402 HA LYS 80 HA LYS 80 -9.556 7.428 2.989 403 HB2 LYS 80 2HB LYS 80 -10.576 7.232 0.860 404 HB3 LYS 80 3HB LYS 80 -9.940 8.882 0.956 405 HG2 LYS 80 2HG LYS 80 -8.080 8.272 -0.493 406 HG3 LYS 80 3HG LYS 80 -8.572 6.567 -0.487 407 HD2 LYS 80 2HD LYS 80 -9.362 7.203 -2.475 408 HD3 LYS 80 3HD LYS 80 -10.806 7.435 -1.488 409 HE2 LYS 80 2HE LYS 80 -10.323 9.888 -1.456 410 HE3 LYS 80 3HE LYS 80 -8.842 9.596 -2.388 411 HZ1 LYS 80 3HZ LYS 80 -10.251 8.671 -4.184 412 HZ2 LYS 80 1HZ LYS 80 -11.599 9.058 -3.348 413 HZ3 LYS 80 2HZ LYS 80 -10.613 10.242 -3.879 414 H ALA 81 H ALA 81 -6.697 6.560 1.088 415 HA ALA 81 HA ALA 81 -7.228 3.807 0.768 416 HB1 ALA 81 1HB ALA 81 -5.416 4.965 -0.332 417 HB2 ALA 81 2HB ALA 81 -4.548 5.143 1.210 418 HB3 ALA 81 3HB ALA 81 -4.835 3.531 0.513 419 H ILE 82 H ILE 82 -5.552 5.520 3.471 420 HA ILE 82 HA ILE 82 -5.168 3.413 5.240 421 HB ILE 82 HB ILE 82 -5.847 6.301 5.813 422 HG12 ILE 82 2HG1 ILE 82 -3.126 5.158 6.372 423 HG13 ILE 82 3HG1 ILE 82 -3.515 5.449 4.690 424 HG21 ILE 82 1HG2 ILE 82 -6.394 5.041 7.856 425 HG22 ILE 82 2HG2 ILE 82 -4.805 4.244 7.807 426 HG23 ILE 82 3HG2 ILE 82 -4.935 5.983 8.103 427 HD11 ILE 82 3HD1 ILE 82 -3.652 7.499 6.941 428 HD12 ILE 82 1HD1 ILE 82 -2.461 7.433 5.614 429 HD13 ILE 82 2HD1 ILE 82 -4.173 7.774 5.282 430 H GLU 83 H GLU 83 -8.007 5.645 5.220 431 HA GLU 83 HA GLU 83 -9.436 4.121 7.168 432 HB2 GLU 83 2HB GLU 83 -10.381 6.137 5.119 433 HB3 GLU 83 3HB GLU 83 -11.403 5.476 6.404 434 HG2 GLU 83 2HG GLU 83 -8.799 7.018 6.866 435 HG3 GLU 83 3HG GLU 83 -10.420 7.686 6.965 436 H GLU 84 H GLU 84 -9.116 3.517 3.751 437 HA GLU 84 HA GLU 84 -11.478 1.780 3.494 438 HB2 GLU 84 2HB GLU 84 -9.092 2.407 1.719 439 HB3 GLU 84 3HB GLU 84 -10.282 1.196 1.289 440 HG2 GLU 84 2HG GLU 84 -11.183 4.009 1.881 441 HG3 GLU 84 3HG GLU 84 -10.449 3.624 0.336 442 H VAL 85 H VAL 85 -7.945 1.290 3.918 443 HA VAL 85 HA VAL 85 -8.414 -1.621 4.369 444 HB VAL 85 HB VAL 85 -8.341 -1.292 2.005 445 HG11 VAL 85 1HG1 VAL 85 -5.674 0.005 2.442 446 HG12 VAL 85 2HG1 VAL 85 -6.154 -0.671 0.880 447 HG13 VAL 85 3HG1 VAL 85 -7.087 0.641 1.618 448 HG21 VAL 85 3HG2 VAL 85 -6.820 -2.967 1.343 449 HG22 VAL 85 1HG2 VAL 85 -5.770 -2.681 2.733 450 HG23 VAL 85 2HG2 VAL 85 -7.387 -3.393 2.967 451 H HIS 86 H HIS 86 -6.584 1.048 5.471 452 HA HIS 86 HA HIS 86 -4.233 -0.412 6.330 453 HD1 HIS 86 HD1 HIS 86 -1.972 2.201 7.032 454 HD2 HIS 86 HD2 HIS 86 -4.405 0.669 10.086 455 HE1 HIS 86 HE1 HIS 86 -0.423 1.775 9.029 456 HB2 HIS 86 2HB HIS 86 -4.432 2.046 6.406 457 HB3 HIS 86 3HB HIS 86 -5.564 1.919 7.749 458 H GLY 87 H GLY 87 -4.292 -2.242 7.539 459 HA2 GLY 87 2HA GLY 87 -4.179 -3.127 9.734 460 HA3 GLY 87 3HA GLY 87 -5.428 -2.014 10.281 461 H LYS 88 H LYS 88 -6.468 -3.112 7.409 462 HA LYS 88 HA LYS 88 -8.416 -5.113 8.321 463 HB2 LYS 88 2HB LYS 88 -7.564 -3.793 5.709 464 HB3 LYS 88 3HB LYS 88 -8.620 -5.115 5.717 465 HG2 LYS 88 2HG LYS 88 -9.918 -3.088 5.537 466 HG3 LYS 88 3HG LYS 88 -10.291 -3.827 7.098 467 HD2 LYS 88 2HD LYS 88 -9.057 -2.177 8.306 468 HD3 LYS 88 3HD LYS 88 -8.158 -1.694 6.867 469 HE2 LYS 88 2HE LYS 88 -10.331 -0.873 5.873 470 HE3 LYS 88 3HE LYS 88 -11.068 -1.111 7.461 471 HZ1 LYS 88 3HZ LYS 88 -10.272 1.178 7.152 472 HZ2 LYS 88 1HZ LYS 88 -9.439 0.467 8.373 473 HZ3 LYS 88 2HZ LYS 88 -8.737 0.675 6.923 474 H SER 89 H SER 89 -8.219 -7.286 7.830 475 HA SER 89 HA SER 89 -5.454 -8.258 7.477 476 HG SER 89 HG SER 89 -8.599 -10.070 7.649 477 HB2 SER 89 2HB SER 89 -6.395 -10.418 8.259 478 HB3 SER 89 3HB SER 89 -6.564 -9.073 9.391 479 H PHE 90 H PHE 90 -4.837 -8.325 5.306 480 HA PHE 90 HA PHE 90 -6.672 -9.778 3.413 481 HD1 PHE 90 HD1 PHE 90 -4.048 -10.471 1.118 482 HD2 PHE 90 HD2 PHE 90 -7.053 -7.375 1.078 483 HE1 PHE 90 HE1 PHE 90 -4.865 -11.285 -1.080 484 HE2 PHE 90 HE2 PHE 90 -7.795 -8.128 -1.157 485 HZ PHE 90 HZ PHE 90 -6.759 -10.135 -2.191 486 HB2 PHE 90 2HB PHE 90 -5.709 -7.588 2.880 487 HB3 PHE 90 3HB PHE 90 -4.121 -8.265 2.849 488 H ALA 91 H ALA 91 -6.147 -11.688 2.518 489 HA ALA 91 HA ALA 91 -5.464 -13.804 2.357 490 HB1 ALA 91 1HB ALA 91 -3.616 -12.804 1.161 491 HB2 ALA 91 2HB ALA 91 -2.699 -12.574 2.672 492 HB3 ALA 91 3HB ALA 91 -3.045 -14.211 2.080 493 H ASN 92 H ASN 92 -3.329 -12.623 4.966 494 HA ASN 92 HA ASN 92 -4.526 -14.414 6.951 495 HB2 ASN 92 2HB ASN 92 -2.451 -15.634 7.454 496 HB3 ASN 92 3HB ASN 92 -2.950 -15.927 5.798 497 HD21 ASN 92 2HD2 ASN 92 -0.553 -14.202 7.824 498 HD22 ASN 92 1HD2 ASN 92 0.563 -13.940 6.495 499 H GLN 93 H GLN 93 -3.127 -11.407 6.255 500 HA GLN 93 HA GLN 93 -2.775 -10.693 9.060 501 HB2 GLN 93 2HB GLN 93 -0.389 -10.190 8.962 502 HB3 GLN 93 3HB GLN 93 -0.691 -11.889 8.697 503 HG2 GLN 93 2HG GLN 93 -0.501 -11.324 6.162 504 HG3 GLN 93 3HG GLN 93 0.216 -9.800 6.721 505 HE21 GLN 93 2HE2 GLN 93 1.375 -12.282 5.213 506 HE22 GLN 93 1HE2 GLN 93 2.747 -12.714 6.225 507 HA PRO 94 HA PRO 94 -3.851 -6.934 7.426 508 HB2 PRO 94 2HB PRO 94 -3.041 -5.023 9.269 509 HB3 PRO 94 3HB PRO 94 -4.291 -6.256 9.622 510 HG2 PRO 94 2HG PRO 94 -1.309 -6.396 10.213 511 HG3 PRO 94 3HG PRO 94 -2.673 -6.680 11.350 512 HD2 PRO 94 2HD PRO 94 -1.393 -8.705 10.120 513 HD3 PRO 94 3HD PRO 94 -3.176 -8.747 10.294 514 H LEU 95 H LEU 95 -3.586 -4.995 6.543 515 HA LEU 95 HA LEU 95 -1.091 -4.459 5.117 516 HG LEU 95 HG LEU 95 -3.749 -3.813 2.702 517 HB2 LEU 95 2HB LEU 95 -3.878 -3.232 5.260 518 HB3 LEU 95 3HB LEU 95 -2.623 -2.602 4.248 519 HD11 LEU 95 1HD1 LEU 95 -1.483 -4.770 2.751 520 HD12 LEU 95 2HD1 LEU 95 -2.095 -6.035 3.833 521 HD13 LEU 95 3HD1 LEU 95 -2.712 -5.913 2.166 522 HD21 LEU 95 3HD2 LEU 95 -5.097 -5.565 2.898 523 HD22 LEU 95 1HD2 LEU 95 -4.429 -6.092 4.474 524 HD23 LEU 95 2HD2 LEU 95 -5.427 -4.612 4.337 525 H GLU 96 H GLU 96 0.015 -2.510 5.057 526 HA GLU 96 HA GLU 96 -0.264 -0.627 7.346 527 HB2 GLU 96 2HB GLU 96 1.562 -2.276 7.574 528 HB3 GLU 96 3HB GLU 96 2.323 -1.673 6.105 529 HG2 GLU 96 2HG GLU 96 2.664 0.514 7.139 530 HG3 GLU 96 3HG GLU 96 1.829 -0.010 8.608 531 H VAL 97 H VAL 97 -1.698 -0.201 5.314 532 HA VAL 97 HA VAL 97 -0.763 1.278 3.022 533 HB VAL 97 HB VAL 97 -3.362 1.105 4.563 534 HG11 VAL 97 1HG1 VAL 97 -4.564 1.909 2.578 535 HG12 VAL 97 2HG1 VAL 97 -3.521 3.167 3.252 536 HG13 VAL 97 3HG1 VAL 97 -3.059 2.277 1.775 537 HG21 VAL 97 3HG2 VAL 97 -2.140 -0.841 3.034 538 HG22 VAL 97 1HG2 VAL 97 -3.877 -0.739 3.251 539 HG23 VAL 97 2HG2 VAL 97 -3.097 -0.064 1.785 540 H VAL 98 H VAL 98 0.520 3.280 3.597 541 HA VAL 98 HA VAL 98 -0.828 5.104 5.466 542 HB VAL 98 HB VAL 98 0.247 2.935 6.538 543 HG11 VAL 98 1HG1 VAL 98 2.306 2.778 7.335 544 HG12 VAL 98 2HG1 VAL 98 2.524 3.068 5.616 545 HG13 VAL 98 3HG1 VAL 98 2.831 4.361 6.836 546 HG21 VAL 98 3HG2 VAL 98 -1.022 4.424 7.581 547 HG22 VAL 98 1HG2 VAL 98 0.398 4.061 8.596 548 HG23 VAL 98 2HG2 VAL 98 0.304 5.632 7.735 549 H TYR 99 H TYR 99 2.156 5.689 6.113 550 HA TYR 99 HA TYR 99 2.820 7.444 3.790 551 HD1 TYR 99 HD2 TYR 99 1.030 8.607 4.287 552 HD2 TYR 99 HD1 TYR 99 2.773 9.312 8.175 553 HE1 TYR 99 HE2 TYR 99 -0.821 10.124 4.825 554 HE2 TYR 99 HE1 TYR 99 0.856 10.788 8.746 555 HH TYR 99 HH TYR 99 -1.794 11.471 6.435 556 HB2 TYR 99 2HB TYR 99 3.686 7.579 6.707 557 HB3 TYR 99 3HB TYR 99 4.043 8.742 5.443 558 H SER 100 H SER 100 3.271 4.551 4.033 559 HA SER 100 HA SER 100 4.853 3.044 4.816 560 HG SER 100 HG SER 100 7.175 2.610 2.722 561 HB2 SER 100 2HB SER 100 4.288 2.676 2.545 562 HB3 SER 100 3HB SER 100 5.436 3.814 2.041 563 H LYS 101 H LYS 101 5.995 3.560 6.514 564 HA LYS 101 HA LYS 101 8.617 4.798 6.509 565 HB2 LYS 101 2HB LYS 101 8.746 3.997 8.774 566 HB3 LYS 101 3HB LYS 101 7.131 4.598 8.495 567 HG2 LYS 101 2HG LYS 101 6.276 2.665 9.237 568 HG3 LYS 101 3HG LYS 101 6.981 1.822 7.863 569 HD2 LYS 101 2HD LYS 101 9.128 1.573 9.207 570 HD3 LYS 101 3HD LYS 101 8.301 2.330 10.572 571 HE2 LYS 101 2HE LYS 101 8.330 -0.068 10.842 572 HE3 LYS 101 3HE LYS 101 6.661 0.473 10.623 573 HZ1 LYS 101 3HZ LYS 101 6.561 -0.482 8.560 574 HZ2 LYS 101 1HZ LYS 101 8.201 -0.419 8.283 575 HZ3 LYS 101 2HZ LYS 101 7.610 -1.546 9.291 576 H LEU 102 H LEU 102 10.363 3.111 7.638 577 HA LEU 102 HA LEU 102 11.600 1.770 5.576 578 HG LEU 102 HG LEU 102 12.369 3.498 8.107 579 HB2 LEU 102 2HB LEU 102 11.752 1.127 8.543 580 HB3 LEU 102 3HB LEU 102 12.924 0.599 7.343 581 HD11 LEU 102 1HD1 LEU 102 14.602 3.397 9.117 582 HD12 LEU 102 2HD1 LEU 102 13.526 2.196 9.849 583 HD13 LEU 102 3HD1 LEU 102 14.749 1.682 8.672 584 HD21 LEU 102 3HD2 LEU 102 14.426 3.980 6.780 585 HD22 LEU 102 1HD2 LEU 102 14.429 2.297 6.203 586 HD23 LEU 102 2HD2 LEU 102 13.100 3.400 5.771 587 HA PRO 103 HA PRO 103 9.667 -2.142 4.747 588 HB2 PRO 103 2HB PRO 103 12.476 -3.242 4.684 589 HB3 PRO 103 3HB PRO 103 11.137 -3.493 3.513 590 HG2 PRO 103 2HG PRO 103 13.099 -1.716 2.968 591 HG3 PRO 103 3HG PRO 103 11.387 -1.289 2.638 592 HD2 PRO 103 2HD PRO 103 13.113 -0.477 4.987 593 HD3 PRO 103 3HD PRO 103 11.976 0.497 4.007 594 H ALA 104 H ALA 104 11.551 -1.840 7.613 595 HA ALA 104 HA ALA 104 10.669 -4.468 8.711 596 HB1 ALA 104 1HB ALA 104 13.018 -3.906 9.050 597 HB2 ALA 104 2HB ALA 104 12.578 -2.355 9.799 598 HB3 ALA 104 3HB ALA 104 12.158 -3.882 10.604 Start of MODEL 3 1 H GLU 28 H GLU 28 3.618 15.780 11.199 2 HA GLU 28 HA GLU 28 3.871 14.229 9.410 3 HB2 GLU 28 2HB GLU 28 6.645 15.118 10.301 4 HB3 GLU 28 3HB GLU 28 6.114 14.723 8.676 5 HG2 GLU 28 2HG GLU 28 5.486 17.178 10.320 6 HG3 GLU 28 3HG GLU 28 6.246 17.071 8.736 7 H LEU 29 H LEU 29 4.677 12.386 8.531 8 HA LEU 29 HA LEU 29 6.448 10.548 10.056 9 HG LEU 29 HG LEU 29 3.818 7.700 10.077 10 HB2 LEU 29 2HB LEU 29 3.948 10.185 10.670 11 HB3 LEU 29 3HB LEU 29 3.689 9.719 9.027 12 HD11 LEU 29 1HD1 LEU 29 5.821 6.498 9.567 13 HD12 LEU 29 2HD1 LEU 29 5.558 7.665 8.270 14 HD13 LEU 29 3HD1 LEU 29 6.792 7.981 9.520 15 HD21 LEU 29 3HD2 LEU 29 5.334 7.100 11.886 16 HD22 LEU 29 1HD2 LEU 29 6.092 8.714 11.808 17 HD23 LEU 29 2HD2 LEU 29 4.380 8.537 12.276 18 H SER 30 H SER 30 4.308 10.824 7.324 19 HA SER 30 HA SER 30 6.072 10.929 5.180 20 HG SER 30 HG SER 30 7.284 8.887 6.202 21 HB2 SER 30 2HB SER 30 5.057 8.104 5.755 22 HB3 SER 30 3HB SER 30 5.396 8.645 4.108 23 H ASN 31 H ASN 31 2.990 10.038 6.519 24 HA ASN 31 HA ASN 31 0.908 10.704 6.236 25 HB2 ASN 31 2HB ASN 31 1.743 12.875 4.384 26 HB3 ASN 31 3HB ASN 31 0.482 12.883 5.585 27 HD21 ASN 31 2HD2 ASN 31 2.264 14.954 5.256 28 HD22 ASN 31 1HD2 ASN 31 3.294 15.084 6.663 29 H THR 32 H THR 32 2.334 9.229 3.670 30 HA THR 32 HA THR 32 -0.053 9.359 1.865 31 HB THR 32 HB THR 32 1.487 9.847 -0.004 32 HG1 THR 32 1HG THR 32 3.403 10.504 1.966 33 HG21 THR 32 1HG2 THR 32 1.762 12.017 2.082 34 HG22 THR 32 2HG2 THR 32 1.870 12.165 0.322 35 HG23 THR 32 3HG2 THR 32 0.321 11.743 1.076 36 H ARG 33 H ARG 33 1.096 6.838 3.408 37 HA ARG 33 HA ARG 33 2.079 5.379 0.970 38 HE ARG 33 HE ARG 33 6.623 6.594 0.027 39 HB2 ARG 33 2HB ARG 33 3.684 5.973 3.448 40 HB3 ARG 33 3HB ARG 33 3.895 4.455 2.627 41 HG2 ARG 33 2HG ARG 33 4.582 5.213 0.679 42 HG3 ARG 33 3HG ARG 33 4.157 6.933 1.060 43 HD2 ARG 33 2HD ARG 33 5.926 7.018 2.710 44 HD3 ARG 33 3HD ARG 33 6.180 5.261 2.554 45 HH11 ARG 33 2HH2 ARG 33 8.228 5.884 3.055 46 HH12 ARG 33 1HH2 ARG 33 9.783 5.653 2.240 47 HH21 ARG 33 2HH1 ARG 33 8.488 6.335 -0.864 48 HH22 ARG 33 1HH1 ARG 33 9.911 5.785 0.068 49 H LEU 34 H LEU 34 1.595 3.373 0.755 50 HA LEU 34 HA LEU 34 -0.046 2.196 2.950 51 HG LEU 34 HG LEU 34 -2.404 3.147 0.215 52 HB2 LEU 34 2HB LEU 34 -0.343 1.593 0.068 53 HB3 LEU 34 3HB LEU 34 -1.498 1.356 1.335 54 HD11 LEU 34 1HD1 LEU 34 -1.879 3.783 2.698 55 HD12 LEU 34 2HD1 LEU 34 -0.908 5.060 1.955 56 HD13 LEU 34 3HD1 LEU 34 -2.610 4.912 1.590 57 HD21 LEU 34 3HD2 LEU 34 0.275 3.669 -0.706 58 HD22 LEU 34 1HD2 LEU 34 -1.258 4.070 -1.431 59 HD23 LEU 34 2HD2 LEU 34 -0.518 5.182 -0.271 60 H PHE 35 H PHE 35 0.497 0.336 3.952 61 HA PHE 35 HA PHE 35 2.806 -1.159 2.868 62 HD1 PHE 35 HD1 PHE 35 4.082 -2.940 3.752 63 HD2 PHE 35 HD2 PHE 35 3.130 -1.250 7.608 64 HE1 PHE 35 HE1 PHE 35 5.376 -4.730 4.853 65 HE2 PHE 35 HE2 PHE 35 4.447 -3.038 8.705 66 HZ PHE 35 HZ PHE 35 5.574 -4.787 7.334 67 HB2 PHE 35 2HB PHE 35 3.561 -0.108 4.691 68 HB3 PHE 35 3HB PHE 35 2.248 -0.181 5.673 69 H VAL 36 H VAL 36 2.069 -2.616 1.786 70 HA VAL 36 HA VAL 36 -0.407 -4.138 2.490 71 HB VAL 36 HB VAL 36 0.663 -2.616 0.109 72 HG11 VAL 36 1HG1 VAL 36 -1.648 -4.439 -0.070 73 HG12 VAL 36 2HG1 VAL 36 -1.347 -3.015 -1.109 74 HG13 VAL 36 3HG1 VAL 36 -0.162 -4.275 -1.109 75 HG21 VAL 36 3HG2 VAL 36 -1.565 -1.440 0.366 76 HG22 VAL 36 1HG2 VAL 36 -2.055 -2.641 1.575 77 HG23 VAL 36 2HG2 VAL 36 -0.775 -1.452 1.919 78 H ARG 37 H ARG 37 0.465 -5.877 3.251 79 HA ARG 37 HA ARG 37 2.583 -7.389 1.771 80 HE ARG 37 HE ARG 37 1.116 -8.083 7.554 81 HB2 ARG 37 2HB ARG 37 3.639 -7.728 3.990 82 HB3 ARG 37 3HB ARG 37 3.510 -6.038 3.539 83 HG2 ARG 37 2HG ARG 37 2.198 -5.521 5.307 84 HG3 ARG 37 3HG ARG 37 1.121 -6.878 5.017 85 HD2 ARG 37 2HD ARG 37 2.870 -8.377 6.105 86 HD3 ARG 37 3HD ARG 37 3.661 -6.898 6.670 87 HH11 ARG 37 2HH1 ARG 37 2.962 -5.053 7.649 88 HH12 ARG 37 1HH1 ARG 37 1.879 -4.418 8.889 89 HH21 ARG 37 1HH2 ARG 37 -0.205 -7.004 9.078 90 HH22 ARG 37 2HH2 ARG 37 0.277 -5.385 9.592 91 HA PRO 38 HA PRO 38 -0.251 -10.733 3.930 92 HB2 PRO 38 2HB PRO 38 -2.202 -10.358 1.643 93 HB3 PRO 38 3HB PRO 38 -2.499 -10.997 3.269 94 HG2 PRO 38 2HG PRO 38 -3.176 -8.486 2.587 95 HG3 PRO 38 3HG PRO 38 -2.452 -8.773 4.187 96 HD2 PRO 38 2HD PRO 38 -1.142 -7.693 1.704 97 HD3 PRO 38 3HD PRO 38 -0.941 -7.219 3.423 98 H PHE 39 H PHE 39 -0.014 -9.899 0.540 99 HA PHE 39 HA PHE 39 -0.311 -12.459 -0.558 100 HD1 PHE 39 HD2 PHE 39 1.224 -8.339 -0.962 101 HD2 PHE 39 HD1 PHE 39 -2.528 -10.301 -1.905 102 HE1 PHE 39 HE2 PHE 39 0.046 -6.245 -0.755 103 HE2 PHE 39 HE1 PHE 39 -3.687 -8.119 -1.726 104 HZ PHE 39 HZ PHE 39 -2.432 -6.088 -1.177 105 HB2 PHE 39 2HB PHE 39 1.185 -10.481 -2.157 106 HB3 PHE 39 3HB PHE 39 -0.297 -11.337 -2.538 107 HA PRO 40 HA PRO 40 4.026 -13.597 -1.129 108 HB2 PRO 40 2HB PRO 40 3.848 -15.492 -3.135 109 HB3 PRO 40 3HB PRO 40 3.160 -15.789 -1.516 110 HG2 PRO 40 2HG PRO 40 1.717 -14.756 -3.973 111 HG3 PRO 40 3HG PRO 40 1.237 -16.116 -2.916 112 HD2 PRO 40 2HD PRO 40 0.244 -13.572 -2.650 113 HD3 PRO 40 3HD PRO 40 0.495 -14.648 -1.242 114 H LEU 41 H LEU 41 5.424 -14.026 -3.430 115 HA LEU 41 HA LEU 41 5.950 -11.494 -4.541 116 HG LEU 41 HG LEU 41 8.328 -12.100 -4.425 117 HB2 LEU 41 2HB LEU 41 6.544 -14.326 -5.505 118 HB3 LEU 41 3HB LEU 41 7.061 -12.905 -6.393 119 HD11 LEU 41 1HD1 LEU 41 8.981 -13.788 -2.689 120 HD12 LEU 41 2HD1 LEU 41 7.287 -13.329 -2.568 121 HD13 LEU 41 3HD1 LEU 41 7.730 -14.882 -3.316 122 HD21 LEU 41 3HD2 LEU 41 9.085 -14.860 -5.467 123 HD22 LEU 41 1HD2 LEU 41 9.408 -13.310 -6.280 124 HD23 LEU 41 2HD2 LEU 41 10.193 -13.676 -4.734 125 H ASP 42 H ASP 42 3.409 -13.651 -5.430 126 HA ASP 42 HA ASP 42 2.933 -12.978 -8.117 127 HB2 ASP 42 2HB ASP 42 0.999 -13.846 -5.950 128 HB3 ASP 42 3HB ASP 42 0.660 -13.852 -7.675 129 H VAL 43 H VAL 43 2.247 -10.943 -5.294 130 HA VAL 43 HA VAL 43 0.253 -9.291 -6.638 131 HB VAL 43 HB VAL 43 0.473 -9.301 -4.208 132 HG11 VAL 43 1HG1 VAL 43 2.968 -9.300 -3.990 133 HG12 VAL 43 2HG1 VAL 43 2.984 -7.606 -4.523 134 HG13 VAL 43 3HG1 VAL 43 2.176 -8.062 -3.019 135 HG21 VAL 43 3HG2 VAL 43 0.860 -6.536 -5.438 136 HG22 VAL 43 1HG2 VAL 43 -0.664 -7.437 -5.310 137 HG23 VAL 43 2HG2 VAL 43 0.160 -6.895 -3.856 138 H GLN 44 H GLN 44 0.495 -7.509 -7.909 139 HA GLN 44 HA GLN 44 3.168 -6.390 -8.461 140 HB2 GLN 44 2HB GLN 44 1.425 -6.879 -10.852 141 HB3 GLN 44 3HB GLN 44 3.141 -6.574 -10.771 142 HG2 GLN 44 2HG GLN 44 1.726 -9.190 -10.175 143 HG3 GLN 44 3HG GLN 44 2.630 -8.795 -11.623 144 HE21 GLN 44 2HE2 GLN 44 2.879 -10.767 -9.245 145 HE22 GLN 44 1HE2 GLN 44 4.544 -10.617 -8.732 146 H GLU 45 H GLU 45 2.730 -4.422 -10.130 147 HA GLU 45 HA GLU 45 0.947 -2.619 -8.842 148 HB2 GLU 45 2HB GLU 45 1.496 -1.053 -10.477 149 HB3 GLU 45 3HB GLU 45 2.959 -1.972 -10.177 150 HG2 GLU 45 2HG GLU 45 1.054 -2.364 -12.517 151 HG3 GLU 45 3HG GLU 45 2.538 -1.417 -12.572 152 H SER 46 H SER 46 0.183 -5.007 -11.328 153 HA SER 46 HA SER 46 -2.330 -3.867 -12.147 154 HG SER 46 HG SER 46 -0.835 -7.262 -11.611 155 HB2 SER 46 2HB SER 46 -2.727 -6.465 -12.622 156 HB3 SER 46 3HB SER 46 -1.712 -5.441 -13.635 157 H GLU 47 H GLU 47 -1.385 -5.723 -9.254 158 HA GLU 47 HA GLU 47 -4.124 -6.599 -8.604 159 HB2 GLU 47 2HB GLU 47 -1.276 -6.991 -7.570 160 HB3 GLU 47 3HB GLU 47 -2.657 -7.407 -6.612 161 HG2 GLU 47 2HG GLU 47 -1.805 -9.364 -7.788 162 HG3 GLU 47 3HG GLU 47 -3.463 -8.985 -8.254 163 H LEU 48 H LEU 48 -1.480 -4.399 -7.656 164 HA LEU 48 HA LEU 48 -2.945 -3.050 -5.572 165 HG LEU 48 HG LEU 48 0.078 -4.019 -6.092 166 HB2 LEU 48 2HB LEU 48 -0.781 -2.023 -7.432 167 HB3 LEU 48 3HB LEU 48 -1.305 -1.311 -5.985 168 HD11 LEU 48 1HD1 LEU 48 1.450 -2.115 -6.856 169 HD12 LEU 48 2HD1 LEU 48 1.049 -1.214 -5.411 170 HD13 LEU 48 3HD1 LEU 48 2.012 -2.704 -5.267 171 HD21 LEU 48 3HD2 LEU 48 0.489 -3.729 -3.754 172 HD22 LEU 48 1HD2 LEU 48 -0.364 -2.155 -3.756 173 HD23 LEU 48 2HD2 LEU 48 -1.258 -3.696 -4.026 174 H ASN 49 H ASN 49 -2.710 -2.646 -9.179 175 HA ASN 49 HA ASN 49 -4.455 -0.351 -9.253 176 HB2 ASN 49 2HB ASN 49 -3.564 -2.336 -11.285 177 HB3 ASN 49 3HB ASN 49 -5.106 -1.574 -11.605 178 HD21 ASN 49 2HD2 ASN 49 -1.683 -0.884 -11.008 179 HD22 ASN 49 1HD2 ASN 49 -1.714 0.678 -11.830 180 H GLU 50 H GLU 50 -5.374 -3.864 -9.214 181 HA GLU 50 HA GLU 50 -8.127 -3.498 -9.318 182 HB2 GLU 50 2HB GLU 50 -6.383 -5.598 -9.166 183 HB3 GLU 50 3HB GLU 50 -6.971 -5.588 -7.495 184 HG2 GLU 50 2HG GLU 50 -9.297 -5.419 -8.477 185 HG3 GLU 50 3HG GLU 50 -8.583 -5.750 -10.060 186 H ILE 51 H ILE 51 -6.000 -3.398 -6.433 187 HA ILE 51 HA ILE 51 -8.207 -2.977 -4.551 188 HB ILE 51 HB ILE 51 -5.217 -2.959 -4.450 189 HG12 ILE 51 2HG1 ILE 51 -7.161 -4.889 -3.128 190 HG13 ILE 51 3HG1 ILE 51 -6.471 -5.136 -4.727 191 HG21 ILE 51 1HG2 ILE 51 -7.085 -2.504 -2.076 192 HG22 ILE 51 2HG2 ILE 51 -5.352 -2.870 -1.909 193 HG23 ILE 51 3HG2 ILE 51 -5.859 -1.368 -2.658 194 HD11 ILE 51 3HD1 ILE 51 -4.164 -5.055 -3.714 195 HD12 ILE 51 1HD1 ILE 51 -4.933 -5.069 -2.106 196 HD13 ILE 51 2HD1 ILE 51 -5.164 -6.428 -3.215 197 H PHE 52 H PHE 52 -5.648 -0.874 -5.840 198 HA PHE 52 HA PHE 52 -6.261 1.397 -4.151 199 HD1 PHE 52 HD2 PHE 52 -3.920 -1.254 -4.585 200 HD2 PHE 52 HD1 PHE 52 -3.514 2.780 -3.159 201 HE1 PHE 52 HE2 PHE 52 -2.471 -2.073 -2.802 202 HE2 PHE 52 HE1 PHE 52 -1.910 1.962 -1.484 203 HZ PHE 52 HZ PHE 52 -1.279 -0.428 -1.380 204 HB2 PHE 52 2HB PHE 52 -4.167 0.880 -6.160 205 HB3 PHE 52 3HB PHE 52 -4.360 2.408 -5.329 206 H GLY 53 H GLY 53 -6.676 0.442 -7.541 207 HA2 GLY 53 2HA GLY 53 -7.034 2.770 -8.977 208 HA3 GLY 53 3HA GLY 53 -7.954 1.287 -9.225 209 HA PRO 54 HA PRO 54 -11.668 3.136 -7.445 210 HB2 PRO 54 2HB PRO 54 -11.297 2.299 -4.587 211 HB3 PRO 54 3HB PRO 54 -12.722 2.086 -5.651 212 HG2 PRO 54 2HG PRO 54 -11.108 -0.016 -5.107 213 HG3 PRO 54 3HG PRO 54 -11.661 0.251 -6.799 214 HD2 PRO 54 2HD PRO 54 -9.094 1.197 -5.502 215 HD3 PRO 54 3HD PRO 54 -9.224 0.188 -6.962 216 H PHE 55 H PHE 55 -8.748 3.854 -5.540 217 HA PHE 55 HA PHE 55 -9.868 6.118 -4.105 218 HD1 PHE 55 HD1 PHE 55 -9.768 4.047 -3.003 219 HD2 PHE 55 HD2 PHE 55 -5.473 4.330 -3.249 220 HE1 PHE 55 HE1 PHE 55 -9.575 1.850 -1.908 221 HE2 PHE 55 HE2 PHE 55 -5.311 2.279 -1.777 222 HZ PHE 55 HZ PHE 55 -7.369 1.006 -1.245 223 HB2 PHE 55 2HB PHE 55 -6.904 5.658 -4.623 224 HB3 PHE 55 3HB PHE 55 -7.660 6.487 -3.299 225 H GLY 56 H GLY 56 -8.020 5.619 -7.027 226 HA2 GLY 56 2HA GLY 56 -8.136 7.155 -8.872 227 HA3 GLY 56 3HA GLY 56 -8.147 8.500 -7.715 228 HA PRO 57 HA PRO 57 -3.660 8.631 -7.909 229 HB2 PRO 57 2HB PRO 57 -3.635 8.850 -4.913 230 HB3 PRO 57 3HB PRO 57 -2.839 9.891 -6.129 231 HG2 PRO 57 2HG PRO 57 -5.096 10.735 -4.891 232 HG3 PRO 57 3HG PRO 57 -4.888 10.995 -6.645 233 HD2 PRO 57 2HD PRO 57 -6.423 8.779 -5.259 234 HD3 PRO 57 3HD PRO 57 -6.945 9.845 -6.603 235 H MET 58 H MET 58 -1.830 7.515 -7.443 236 HA MET 58 HA MET 58 -1.059 5.537 -5.664 237 HB2 MET 58 2HB MET 58 -1.099 3.531 -7.025 238 HB3 MET 58 3HB MET 58 -2.626 3.947 -6.248 239 HG2 MET 58 2HG MET 58 -3.441 4.890 -8.417 240 HG3 MET 58 3HG MET 58 -1.963 4.298 -9.186 241 HE1 MET 58 3HE MET 58 -1.320 1.533 -8.338 242 HE2 MET 58 1HE MET 58 -2.275 1.604 -6.826 243 HE3 MET 58 2HE MET 58 -2.633 0.371 -8.052 244 H LYS 59 H LYS 59 0.198 7.311 -6.080 245 HA LYS 59 HA LYS 59 1.494 7.923 -8.552 246 HB2 LYS 59 2HB LYS 59 0.919 9.702 -7.289 247 HB3 LYS 59 3HB LYS 59 1.330 8.922 -5.785 248 HG2 LYS 59 2HG LYS 59 3.462 9.949 -7.659 249 HG3 LYS 59 3HG LYS 59 2.654 10.878 -6.404 250 HD2 LYS 59 2HD LYS 59 3.398 8.514 -5.053 251 HD3 LYS 59 3HD LYS 59 4.755 8.843 -6.112 252 HE2 LYS 59 2HE LYS 59 3.752 11.266 -4.840 253 HE3 LYS 59 3HE LYS 59 4.051 9.993 -3.639 254 HZ1 LYS 59 3HZ LYS 59 6.296 9.817 -4.331 255 HZ2 LYS 59 1HZ LYS 59 6.111 10.870 -5.596 256 HZ3 LYS 59 2HZ LYS 59 6.032 11.401 -4.048 257 H GLU 60 H GLU 60 2.487 5.944 -5.798 258 HA GLU 60 HA GLU 60 4.587 4.879 -7.497 259 HB2 GLU 60 2HB GLU 60 5.339 6.771 -5.422 260 HB3 GLU 60 3HB GLU 60 5.981 5.184 -5.032 261 HG2 GLU 60 2HG GLU 60 6.334 6.420 -7.789 262 HG3 GLU 60 3HG GLU 60 7.350 6.854 -6.435 263 H VAL 61 H VAL 61 5.650 3.124 -6.745 264 HA VAL 61 HA VAL 61 4.049 1.212 -5.111 265 HB VAL 61 HB VAL 61 4.361 1.240 -8.168 266 HG11 VAL 61 1HG1 VAL 61 3.188 -0.999 -8.077 267 HG12 VAL 61 2HG1 VAL 61 4.871 -0.987 -7.575 268 HG13 VAL 61 3HG1 VAL 61 3.580 -1.006 -6.334 269 HG21 VAL 61 3HG2 VAL 61 2.019 1.000 -8.405 270 HG22 VAL 61 1HG2 VAL 61 1.777 0.753 -6.684 271 HG23 VAL 61 2HG2 VAL 61 2.247 2.354 -7.316 272 H LYS 62 H LYS 62 5.596 0.354 -3.975 273 HA LYS 62 HA LYS 62 8.204 -0.440 -5.246 274 HB2 LYS 62 2HB LYS 62 7.520 0.230 -2.364 275 HB3 LYS 62 3HB LYS 62 9.124 -0.045 -2.992 276 HG2 LYS 62 2HG LYS 62 7.507 2.257 -4.165 277 HG3 LYS 62 3HG LYS 62 8.025 2.388 -2.522 278 HD2 LYS 62 2HD LYS 62 9.611 3.446 -4.097 279 HD3 LYS 62 3HD LYS 62 10.369 2.151 -3.181 280 HE2 LYS 62 2HE LYS 62 11.163 2.032 -5.430 281 HE3 LYS 62 3HE LYS 62 10.146 0.623 -5.147 282 HZ1 LYS 62 3HZ LYS 62 9.739 1.748 -7.309 283 HZ2 LYS 62 1HZ LYS 62 8.375 1.716 -6.427 284 HZ3 LYS 62 2HZ LYS 62 9.234 3.099 -6.542 285 H ILE 63 H ILE 63 8.174 -2.591 -5.607 286 HA ILE 63 HA ILE 63 6.511 -4.307 -3.810 287 HB ILE 63 HB ILE 63 6.683 -4.592 -6.815 288 HG12 ILE 63 2HG1 ILE 63 4.471 -3.625 -4.935 289 HG13 ILE 63 3HG1 ILE 63 5.326 -2.682 -6.151 290 HG21 ILE 63 1HG2 ILE 63 6.476 -6.787 -5.630 291 HG22 ILE 63 2HG2 ILE 63 5.082 -6.156 -4.725 292 HG23 ILE 63 3HG2 ILE 63 5.002 -6.379 -6.485 293 HD11 ILE 63 3HD1 ILE 63 3.221 -4.806 -6.587 294 HD12 ILE 63 1HD1 ILE 63 3.249 -3.147 -7.143 295 HD13 ILE 63 2HD1 ILE 63 4.333 -4.302 -7.904 296 H LEU 64 H LEU 64 7.389 -5.846 -2.918 297 HA LEU 64 HA LEU 64 10.087 -6.941 -3.587 298 HG LEU 64 HG LEU 64 11.308 -4.913 -2.171 299 HB2 LEU 64 2HB LEU 64 8.861 -6.158 -0.912 300 HB3 LEU 64 3HB LEU 64 10.418 -6.927 -1.116 301 HD11 LEU 64 1HD1 LEU 64 9.959 -2.720 -1.615 302 HD12 LEU 64 2HD1 LEU 64 9.798 -3.543 -3.152 303 HD13 LEU 64 3HD1 LEU 64 8.561 -3.782 -1.900 304 HD21 LEU 64 3HD2 LEU 64 11.730 -5.270 0.075 305 HD22 LEU 64 1HD2 LEU 64 11.301 -3.559 -0.084 306 HD23 LEU 64 2HD2 LEU 64 10.121 -4.732 0.557 307 H ASN 65 H ASN 65 10.324 -8.809 -1.871 308 HA ASN 65 HA ASN 65 9.220 -11.126 -2.745 309 HB2 ASN 65 2HB ASN 65 10.317 -10.538 -0.024 310 HB3 ASN 65 3HB ASN 65 10.394 -12.115 -0.815 311 HD21 ASN 65 1HD2 ASN 65 12.380 -9.604 -0.072 312 HD22 ASN 65 2HD2 ASN 65 13.489 -9.741 -1.422 313 H GLY 66 H GLY 66 6.792 -9.822 -2.156 314 HA2 GLY 66 2HA GLY 66 4.797 -10.949 -1.355 315 HA3 GLY 66 3HA GLY 66 5.572 -11.249 0.187 316 H PHE 67 H PHE 67 6.368 -8.169 -1.197 317 HA PHE 67 HA PHE 67 4.395 -6.816 0.620 318 HD1 PHE 67 HD1 PHE 67 8.283 -8.312 0.527 319 HD2 PHE 67 HD2 PHE 67 5.773 -6.808 3.681 320 HE1 PHE 67 HE1 PHE 67 9.061 -10.141 2.018 321 HE2 PHE 67 HE2 PHE 67 6.555 -8.631 5.180 322 HZ PHE 67 HZ PHE 67 8.192 -10.307 4.344 323 HB2 PHE 67 2HB PHE 67 7.274 -5.965 0.502 324 HB3 PHE 67 3HB PHE 67 6.048 -5.536 1.658 325 H ALA 68 H ALA 68 3.723 -4.841 0.078 326 HA ALA 68 HA ALA 68 4.787 -3.365 -2.296 327 HB1 ALA 68 1HB ALA 68 2.768 -4.534 -2.954 328 HB2 ALA 68 2HB ALA 68 1.909 -3.817 -1.574 329 HB3 ALA 68 3HB ALA 68 2.536 -2.773 -2.864 330 H PHE 69 H PHE 69 5.307 -1.404 -1.832 331 HA PHE 69 HA PHE 69 3.949 -0.012 0.378 332 HD1 PHE 69 HD2 PHE 69 7.397 -1.627 -0.805 333 HD2 PHE 69 HD1 PHE 69 6.340 -0.092 3.053 334 HE1 PHE 69 HE2 PHE 69 8.379 -3.622 0.231 335 HE2 PHE 69 HE1 PHE 69 7.511 -2.047 4.128 336 HZ PHE 69 HZ PHE 69 8.583 -3.819 2.626 337 HB2 PHE 69 2HB PHE 69 6.758 0.802 -0.367 338 HB3 PHE 69 3HB PHE 69 5.851 1.180 1.075 339 H VAL 70 H VAL 70 2.464 0.885 -0.713 340 HA VAL 70 HA VAL 70 3.039 2.206 -3.307 341 HB VAL 70 HB VAL 70 0.308 1.895 -2.022 342 HG11 VAL 70 1HG1 VAL 70 -0.496 1.650 -4.310 343 HG12 VAL 70 2HG1 VAL 70 0.392 3.207 -4.206 344 HG13 VAL 70 3HG1 VAL 70 1.149 1.736 -4.925 345 HG21 VAL 70 3HG2 VAL 70 1.218 -0.352 -2.150 346 HG22 VAL 70 1HG2 VAL 70 0.100 -0.112 -3.499 347 HG23 VAL 70 2HG2 VAL 70 1.873 0.040 -3.812 348 H GLU 71 H GLU 71 2.203 4.416 -3.660 349 HA GLU 71 HA GLU 71 2.505 6.137 -1.207 350 HB2 GLU 71 2HB GLU 71 4.714 5.390 -2.315 351 HB3 GLU 71 3HB GLU 71 4.168 6.261 -3.726 352 HG2 GLU 71 2HG GLU 71 4.208 8.371 -2.504 353 HG3 GLU 71 3HG GLU 71 4.614 7.525 -1.009 354 H PHE 72 H PHE 72 1.729 8.158 -1.447 355 HA PHE 72 HA PHE 72 0.461 8.919 -4.038 356 HD1 PHE 72 HD2 PHE 72 -1.373 7.466 -4.337 357 HD2 PHE 72 HD1 PHE 72 -1.831 8.080 -0.104 358 HE1 PHE 72 HE2 PHE 72 -2.755 5.402 -4.167 359 HE2 PHE 72 HE1 PHE 72 -3.354 6.121 -0.001 360 HZ PHE 72 HZ PHE 72 -3.778 4.771 -2.004 361 HB2 PHE 72 2HB PHE 72 -0.506 9.547 -1.250 362 HB3 PHE 72 3HB PHE 72 -1.313 9.936 -2.754 363 H GLU 73 H GLU 73 0.080 11.118 -4.471 364 HA GLU 73 HA GLU 73 2.011 13.072 -3.306 365 HB2 GLU 73 2HB GLU 73 1.522 14.438 -5.275 366 HB3 GLU 73 3HB GLU 73 2.148 12.862 -5.698 367 HG2 GLU 73 2HG GLU 73 -0.276 12.111 -6.103 368 HG3 GLU 73 3HG GLU 73 -0.744 13.792 -5.871 369 H GLU 74 H GLU 74 -0.760 11.953 -2.376 370 HA GLU 74 HA GLU 74 -2.133 14.491 -1.645 371 HB2 GLU 74 2HB GLU 74 -3.067 13.559 -3.786 372 HB3 GLU 74 3HB GLU 74 -3.410 12.042 -2.958 373 HG2 GLU 74 2HG GLU 74 -4.882 13.359 -1.359 374 HG3 GLU 74 3HG GLU 74 -4.630 14.772 -2.375 375 H ALA 75 H ALA 75 -1.941 14.364 0.577 376 HA ALA 75 HA ALA 75 -1.924 11.965 2.119 377 HB1 ALA 75 1HB ALA 75 -2.296 13.466 4.026 378 HB2 ALA 75 2HB ALA 75 -1.085 14.144 2.928 379 HB3 ALA 75 3HB ALA 75 -2.748 14.786 2.925 380 H GLU 76 H GLU 76 -4.635 13.812 0.823 381 HA GLU 76 HA GLU 76 -6.683 12.453 2.351 382 HB2 GLU 76 2HB GLU 76 -7.004 13.778 -0.351 383 HB3 GLU 76 3HB GLU 76 -8.256 13.423 0.825 384 HG2 GLU 76 2HG GLU 76 -6.025 15.474 1.010 385 HG3 GLU 76 3HG GLU 76 -7.755 15.780 0.918 386 H SER 77 H SER 77 -4.767 11.464 -0.421 387 HA SER 77 HA SER 77 -6.565 9.270 -1.172 388 HG SER 77 HG SER 77 -4.246 7.517 -2.509 389 HB2 SER 77 2HB SER 77 -4.916 10.149 -2.772 390 HB3 SER 77 3HB SER 77 -3.622 9.453 -1.797 391 H ALA 78 H ALA 78 -3.675 9.698 0.935 392 HA ALA 78 HA ALA 78 -3.689 6.968 1.863 393 HB1 ALA 78 1HB ALA 78 -1.774 8.260 2.173 394 HB2 ALA 78 2HB ALA 78 -2.639 9.521 3.092 395 HB3 ALA 78 3HB ALA 78 -2.408 7.889 3.782 396 H ALA 79 H ALA 79 -5.347 9.892 3.195 397 HA ALA 79 HA ALA 79 -6.713 8.675 5.309 398 HB1 ALA 79 1HB ALA 79 -8.316 10.499 5.073 399 HB2 ALA 79 2HB ALA 79 -6.676 11.110 4.775 400 HB3 ALA 79 3HB ALA 79 -7.786 10.803 3.415 401 H LYS 80 H LYS 80 -7.992 8.961 1.914 402 HA LYS 80 HA LYS 80 -10.206 7.250 2.613 403 HB2 LYS 80 2HB LYS 80 -10.902 7.320 0.367 404 HB3 LYS 80 3HB LYS 80 -10.228 8.918 0.744 405 HG2 LYS 80 2HG LYS 80 -8.133 8.220 -0.389 406 HG3 LYS 80 3HG LYS 80 -8.873 6.688 -0.851 407 HD2 LYS 80 2HD LYS 80 -9.969 7.633 -2.575 408 HD3 LYS 80 3HD LYS 80 -10.630 8.930 -1.602 409 HE2 LYS 80 2HE LYS 80 -7.782 8.956 -2.666 410 HE3 LYS 80 3HE LYS 80 -9.150 9.573 -3.595 411 HZ1 LYS 80 3HZ LYS 80 -8.434 10.593 -0.897 412 HZ2 LYS 80 1HZ LYS 80 -7.989 11.317 -2.312 413 HZ3 LYS 80 2HZ LYS 80 -9.576 11.203 -1.912 414 H ALA 81 H ALA 81 -7.077 6.511 1.141 415 HA ALA 81 HA ALA 81 -7.547 3.831 0.407 416 HB1 ALA 81 1HB ALA 81 -4.989 5.022 1.487 417 HB2 ALA 81 2HB ALA 81 -5.162 3.498 0.588 418 HB3 ALA 81 3HB ALA 81 -5.549 5.017 -0.202 419 H ILE 82 H ILE 82 -6.478 5.249 3.569 420 HA ILE 82 HA ILE 82 -6.418 2.923 5.125 421 HB ILE 82 HB ILE 82 -7.182 5.733 5.933 422 HG12 ILE 82 2HG1 ILE 82 -4.594 4.497 6.793 423 HG13 ILE 82 3HG1 ILE 82 -4.682 4.984 5.126 424 HG21 ILE 82 1HG2 ILE 82 -6.470 3.426 7.787 425 HG22 ILE 82 2HG2 ILE 82 -6.696 5.112 8.269 426 HG23 ILE 82 3HG2 ILE 82 -8.063 4.204 7.651 427 HD11 ILE 82 3HD1 ILE 82 -5.458 7.240 5.906 428 HD12 ILE 82 1HD1 ILE 82 -5.172 6.736 7.575 429 HD13 ILE 82 2HD1 ILE 82 -3.810 6.828 6.421 430 H GLU 83 H GLU 83 -9.168 5.236 4.816 431 HA GLU 83 HA GLU 83 -10.986 3.559 6.238 432 HB2 GLU 83 2HB GLU 83 -11.481 5.786 4.255 433 HB3 GLU 83 3HB GLU 83 -12.737 5.042 5.254 434 HG2 GLU 83 2HG GLU 83 -10.265 6.501 6.314 435 HG3 GLU 83 3HG GLU 83 -11.890 7.156 6.211 436 H GLU 84 H GLU 84 -9.975 3.311 2.917 437 HA GLU 84 HA GLU 84 -12.269 1.739 1.960 438 HB2 GLU 84 2HB GLU 84 -9.553 2.495 0.815 439 HB3 GLU 84 3HB GLU 84 -10.615 1.369 -0.000 440 HG2 GLU 84 2HG GLU 84 -11.582 4.141 0.691 441 HG3 GLU 84 3HG GLU 84 -10.608 3.852 -0.735 442 H VAL 85 H VAL 85 -8.909 1.059 2.990 443 HA VAL 85 HA VAL 85 -9.487 -1.869 2.946 444 HB VAL 85 HB VAL 85 -8.881 -1.288 0.725 445 HG11 VAL 85 1HG1 VAL 85 -6.445 0.027 1.903 446 HG12 VAL 85 2HG1 VAL 85 -6.516 -0.492 0.201 447 HG13 VAL 85 3HG1 VAL 85 -7.667 0.699 0.830 448 HG21 VAL 85 3HG2 VAL 85 -8.074 -3.460 1.630 449 HG22 VAL 85 1HG2 VAL 85 -7.140 -2.836 0.268 450 HG23 VAL 85 2HG2 VAL 85 -6.488 -2.691 1.902 451 H HIS 86 H HIS 86 -7.758 0.633 4.646 452 HA HIS 86 HA HIS 86 -5.810 -1.141 5.878 453 HD1 HIS 86 HD1 HIS 86 -3.578 1.504 7.323 454 HD2 HIS 86 HD2 HIS 86 -6.565 -0.491 9.489 455 HE1 HIS 86 HE1 HIS 86 -2.514 0.832 9.560 456 HB2 HIS 86 2HB HIS 86 -5.787 1.345 6.088 457 HB3 HIS 86 3HB HIS 86 -7.162 1.251 7.179 458 H GLY 87 H GLY 87 -6.391 -2.999 6.841 459 HA2 GLY 87 2HA GLY 87 -6.977 -3.928 9.017 460 HA3 GLY 87 3HA GLY 87 -8.358 -2.837 9.116 461 H LYS 88 H LYS 88 -8.101 -3.955 5.963 462 HA LYS 88 HA LYS 88 -10.385 -5.834 6.244 463 HB2 LYS 88 2HB LYS 88 -9.083 -4.207 4.030 464 HB3 LYS 88 3HB LYS 88 -10.181 -5.442 3.686 465 HG2 LYS 88 2HG LYS 88 -11.347 -3.347 3.637 466 HG3 LYS 88 3HG LYS 88 -11.987 -4.276 4.996 467 HD2 LYS 88 2HD LYS 88 -10.978 -2.872 6.610 468 HD3 LYS 88 3HD LYS 88 -9.753 -2.304 5.475 469 HE2 LYS 88 2HE LYS 88 -11.566 -1.174 4.167 470 HE3 LYS 88 3HE LYS 88 -12.679 -1.537 5.491 471 HZ1 LYS 88 3HZ LYS 88 -10.194 0.103 5.744 472 HZ2 LYS 88 1HZ LYS 88 -11.721 0.687 5.712 473 HZ3 LYS 88 2HZ LYS 88 -11.204 -0.242 6.967 474 H SER 89 H SER 89 -10.153 -7.890 5.695 475 HA SER 89 HA SER 89 -7.457 -8.993 5.737 476 HG SER 89 HG SER 89 -10.572 -10.601 4.837 477 HB2 SER 89 2HB SER 89 -8.625 -11.177 5.948 478 HB3 SER 89 3HB SER 89 -9.057 -9.977 7.172 479 H PHE 90 H PHE 90 -6.334 -8.725 3.763 480 HA PHE 90 HA PHE 90 -7.552 -10.119 1.388 481 HD1 PHE 90 HD2 PHE 90 -4.613 -10.511 -0.394 482 HD2 PHE 90 HD1 PHE 90 -7.543 -7.351 -0.632 483 HE1 PHE 90 HE2 PHE 90 -4.950 -10.998 -2.812 484 HE2 PHE 90 HE1 PHE 90 -7.795 -7.770 -3.062 485 HZ PHE 90 HZ PHE 90 -6.567 -9.651 -4.122 486 HB2 PHE 90 2HB PHE 90 -6.584 -7.818 1.331 487 HB3 PHE 90 3HB PHE 90 -5.015 -8.494 1.539 488 H ALA 91 H ALA 91 -6.642 -11.943 0.541 489 HA ALA 91 HA ALA 91 -5.747 -13.981 0.446 490 HB1 ALA 91 1HB ALA 91 -3.834 -12.678 -0.296 491 HB2 ALA 91 2HB ALA 91 -3.239 -12.536 1.369 492 HB3 ALA 91 3HB ALA 91 -3.297 -14.119 0.574 493 H ASN 92 H ASN 92 -4.338 -12.785 3.515 494 HA ASN 92 HA ASN 92 -5.456 -15.035 5.037 495 HB2 ASN 92 2HB ASN 92 -3.302 -15.867 5.804 496 HB3 ASN 92 3HB ASN 92 -3.340 -15.936 4.047 497 HD21 ASN 92 1HD2 ASN 92 -1.662 -14.805 2.927 498 HD22 ASN 92 2HD2 ASN 92 -0.547 -13.730 3.703 499 H GLN 93 H GLN 93 -4.524 -11.727 4.928 500 HA GLN 93 HA GLN 93 -4.914 -11.309 7.795 501 HB2 GLN 93 2HB GLN 93 -2.719 -10.467 8.303 502 HB3 GLN 93 3HB GLN 93 -2.514 -12.073 7.638 503 HG2 GLN 93 2HG GLN 93 -2.061 -10.960 5.403 504 HG3 GLN 93 3HG GLN 93 -2.050 -9.407 6.244 505 HE21 GLN 93 1HE2 GLN 93 -0.443 -12.568 6.031 506 HE22 GLN 93 2HE2 GLN 93 1.155 -11.953 6.385 507 HA PRO 94 HA PRO 94 -6.006 -7.432 6.135 508 HB2 PRO 94 2HB PRO 94 -5.758 -5.628 8.221 509 HB3 PRO 94 3HB PRO 94 -7.010 -6.917 8.196 510 HG2 PRO 94 2HG PRO 94 -4.269 -7.021 9.511 511 HG3 PRO 94 3HG PRO 94 -5.861 -7.402 10.250 512 HD2 PRO 94 2HD PRO 94 -4.258 -9.328 9.257 513 HD3 PRO 94 3HD PRO 94 -6.029 -9.405 8.991 514 H LEU 95 H LEU 95 -5.441 -5.593 5.229 515 HA LEU 95 HA LEU 95 -2.661 -4.996 4.683 516 HG LEU 95 HG LEU 95 -4.637 -4.064 1.696 517 HB2 LEU 95 2HB LEU 95 -5.302 -3.581 4.140 518 HB3 LEU 95 3HB LEU 95 -3.780 -3.031 3.547 519 HD11 LEU 95 1HD1 LEU 95 -3.514 -6.167 1.259 520 HD12 LEU 95 2HD1 LEU 95 -2.433 -5.031 2.093 521 HD13 LEU 95 3HD1 LEU 95 -3.210 -6.345 2.997 522 HD21 LEU 95 3HD2 LEU 95 -5.662 -6.454 3.090 523 HD22 LEU 95 1HD2 LEU 95 -6.610 -4.948 2.911 524 HD23 LEU 95 2HD2 LEU 95 -6.015 -5.770 1.469 525 H GLU 96 H GLU 96 -1.530 -3.089 5.128 526 HA GLU 96 HA GLU 96 -2.380 -1.518 7.497 527 HB2 GLU 96 2HB GLU 96 -0.700 -3.376 7.857 528 HB3 GLU 96 3HB GLU 96 0.467 -2.435 6.926 529 HG2 GLU 96 2HG GLU 96 0.268 -0.571 8.496 530 HG3 GLU 96 3HG GLU 96 -1.013 -1.405 9.385 531 H VAL 97 H VAL 97 -3.171 -0.647 5.333 532 HA VAL 97 HA VAL 97 -1.568 0.973 3.578 533 HB VAL 97 HB VAL 97 -4.477 0.796 4.409 534 HG11 VAL 97 1HG1 VAL 97 -5.161 1.881 2.329 535 HG12 VAL 97 2HG1 VAL 97 -4.287 2.998 3.400 536 HG13 VAL 97 3HG1 VAL 97 -3.500 2.281 1.968 537 HG21 VAL 97 3HG2 VAL 97 -3.649 -0.065 1.647 538 HG22 VAL 97 1HG2 VAL 97 -2.996 -1.030 2.958 539 HG23 VAL 97 2HG2 VAL 97 -4.735 -0.855 2.819 540 H VAL 98 H VAL 98 -0.506 2.981 4.485 541 HA VAL 98 HA VAL 98 -2.122 4.569 6.344 542 HB VAL 98 HB VAL 98 -1.204 2.264 7.301 543 HG11 VAL 98 1HG1 VAL 98 0.644 2.032 8.495 544 HG12 VAL 98 2HG1 VAL 98 1.186 2.514 6.901 545 HG13 VAL 98 3HG1 VAL 98 1.211 3.673 8.278 546 HG21 VAL 98 3HG2 VAL 98 -1.505 4.777 8.819 547 HG22 VAL 98 1HG2 VAL 98 -2.725 3.583 8.251 548 HG23 VAL 98 2HG2 VAL 98 -1.522 3.108 9.470 549 H TYR 99 H TYR 99 0.657 5.087 7.609 550 HA TYR 99 HA TYR 99 1.753 7.046 5.635 551 HD1 TYR 99 HD1 TYR 99 -0.203 8.110 5.856 552 HD2 TYR 99 HD2 TYR 99 1.160 9.173 9.810 553 HE1 TYR 99 HE1 TYR 99 -2.075 9.662 6.056 554 HE2 TYR 99 HE2 TYR 99 -0.743 10.768 10.007 555 HH TYR 99 HH TYR 99 -3.148 11.212 7.386 556 HB2 TYR 99 2HB TYR 99 1.967 7.070 8.680 557 HB3 TYR 99 3HB TYR 99 2.703 8.211 7.576 558 H SER 100 H SER 100 2.280 4.567 5.061 559 HA SER 100 HA SER 100 3.976 2.971 6.450 560 HG SER 100 HG SER 100 1.880 2.818 4.456 561 HB2 SER 100 2HB SER 100 3.911 2.790 3.498 562 HB3 SER 100 3HB SER 100 4.486 1.679 4.707 563 H LYS 101 H LYS 101 6.253 2.411 6.407 564 HA LYS 101 HA LYS 101 8.122 4.151 4.956 565 HB2 LYS 101 2HB LYS 101 7.658 5.384 7.053 566 HB3 LYS 101 3HB LYS 101 8.125 3.975 8.000 567 HG2 LYS 101 2HG LYS 101 9.876 5.645 8.024 568 HG3 LYS 101 3HG LYS 101 10.447 4.189 7.218 569 HD2 LYS 101 2HD LYS 101 10.055 5.319 4.995 570 HD3 LYS 101 3HD LYS 101 9.579 6.793 5.858 571 HE2 LYS 101 2HE LYS 101 11.782 7.036 6.813 572 HE3 LYS 101 3HE LYS 101 12.224 5.384 6.371 573 HZ1 LYS 101 3HZ LYS 101 11.836 7.623 4.470 574 HZ2 LYS 101 1HZ LYS 101 13.240 6.858 4.819 575 HZ3 LYS 101 2HZ LYS 101 12.056 6.072 4.002 576 H LEU 102 H LEU 102 10.136 3.399 4.755 577 HA LEU 102 HA LEU 102 11.123 0.860 5.747 578 HG LEU 102 HG LEU 102 11.762 1.713 2.144 579 HB2 LEU 102 2HB LEU 102 11.264 -0.273 3.689 580 HB3 LEU 102 3HB LEU 102 9.625 0.276 3.783 581 HD11 LEU 102 1HD1 LEU 102 10.802 0.565 0.196 582 HD12 LEU 102 2HD1 LEU 102 11.479 -0.594 1.347 583 HD13 LEU 102 3HD1 LEU 102 9.721 -0.358 1.264 584 HD21 LEU 102 3HD2 LEU 102 9.822 3.148 2.567 585 HD22 LEU 102 1HD2 LEU 102 9.796 2.604 0.895 586 HD23 LEU 102 2HD2 LEU 102 8.713 1.841 2.078 587 HA PRO 103 HA PRO 103 15.103 2.807 5.250 588 HB2 PRO 103 2HB PRO 103 15.802 1.338 2.703 589 HB3 PRO 103 3HB PRO 103 16.831 1.655 4.140 590 HG2 PRO 103 2HG PRO 103 15.656 -0.757 3.845 591 HG3 PRO 103 3HG PRO 103 15.610 0.056 5.445 592 HD2 PRO 103 2HD PRO 103 13.457 -0.071 3.336 593 HD3 PRO 103 3HD PRO 103 13.304 -0.285 5.106 594 H ALA 104 H ALA 104 13.251 2.861 2.265 595 HA ALA 104 HA ALA 104 14.077 5.673 1.745 596 HB1 ALA 104 1HB ALA 104 13.758 3.492 -0.353 597 HB2 ALA 104 2HB ALA 104 14.067 5.213 -0.666 598 HB3 ALA 104 3HB ALA 104 15.291 4.233 0.155 Start of MODEL 4 1 H GLU 28 H GLU 28 7.077 15.144 9.378 2 HA GLU 28 HA GLU 28 6.870 14.186 11.552 3 HB2 GLU 28 2HB GLU 28 4.884 13.396 12.483 4 HB3 GLU 28 3HB GLU 28 4.674 15.088 12.106 5 HG2 GLU 28 2HG GLU 28 3.437 12.722 10.630 6 HG3 GLU 28 3HG GLU 28 2.635 13.812 11.746 7 H LEU 29 H LEU 29 4.962 12.973 8.728 8 HA LEU 29 HA LEU 29 6.747 10.588 8.642 9 HG LEU 29 HG LEU 29 4.106 8.082 9.385 10 HB2 LEU 29 2HB LEU 29 4.088 10.570 9.688 11 HB3 LEU 29 3HB LEU 29 3.926 9.979 8.075 12 HD11 LEU 29 1HD1 LEU 29 7.042 8.333 8.618 13 HD12 LEU 29 2HD1 LEU 29 6.080 6.858 8.866 14 HD13 LEU 29 3HD1 LEU 29 5.746 7.868 7.496 15 HD21 LEU 29 3HD2 LEU 29 6.478 9.271 10.838 16 HD22 LEU 29 1HD2 LEU 29 4.803 9.170 11.443 17 HD23 LEU 29 2HD2 LEU 29 5.718 7.686 11.138 18 H SER 30 H SER 30 5.906 9.233 6.608 19 HA SER 30 HA SER 30 6.320 10.701 4.236 20 HG SER 30 HG SER 30 7.073 7.121 4.640 21 HB2 SER 30 2HB SER 30 5.025 7.960 4.615 22 HB3 SER 30 3HB SER 30 5.850 8.533 3.141 23 H ASN 31 H ASN 31 3.367 10.275 5.923 24 HA ASN 31 HA ASN 31 1.202 10.670 5.577 25 HB2 ASN 31 2HB ASN 31 2.325 12.758 3.751 26 HB3 ASN 31 3HB ASN 31 0.630 12.655 4.164 27 HD21 ASN 31 2HD2 ASN 31 3.861 13.149 5.627 28 HD22 ASN 31 1HD2 ASN 31 3.207 13.948 7.033 29 H THR 32 H THR 32 2.657 9.249 2.804 30 HA THR 32 HA THR 32 -0.043 8.885 1.569 31 HB THR 32 HB THR 32 0.760 9.511 -0.528 32 HG1 THR 32 1HG THR 32 2.844 9.972 -0.960 33 HG21 THR 32 1HG2 THR 32 1.401 11.798 -0.342 34 HG22 THR 32 2HG2 THR 32 0.305 11.460 0.997 35 HG23 THR 32 3HG2 THR 32 2.067 11.559 1.273 36 H ARG 33 H ARG 33 1.549 6.626 2.950 37 HA ARG 33 HA ARG 33 2.224 5.081 0.473 38 HE ARG 33 HE ARG 33 6.623 6.954 -0.562 39 HB2 ARG 33 2HB ARG 33 4.002 5.611 2.802 40 HB3 ARG 33 3HB ARG 33 4.117 4.108 1.834 41 HG2 ARG 33 2HG ARG 33 4.711 5.104 -0.049 42 HG3 ARG 33 3HG ARG 33 4.334 6.758 0.554 43 HD2 ARG 33 2HD ARG 33 6.234 6.726 1.998 44 HD3 ARG 33 3HD ARG 33 6.532 4.997 1.693 45 HH11 ARG 33 1HH1 ARG 33 8.795 4.830 1.311 46 HH12 ARG 33 2HH1 ARG 33 9.706 4.553 -0.166 47 HH21 ARG 33 1HH2 ARG 33 7.938 6.650 -2.089 48 HH22 ARG 33 2HH2 ARG 33 9.341 5.545 -1.906 49 H LEU 34 H LEU 34 1.463 3.235 0.310 50 HA LEU 34 HA LEU 34 0.199 2.020 2.676 51 HG LEU 34 HG LEU 34 -2.480 2.807 0.216 52 HB2 LEU 34 2HB LEU 34 -0.355 1.322 -0.109 53 HB3 LEU 34 3HB LEU 34 -1.390 1.072 1.246 54 HD11 LEU 34 1HD1 LEU 34 -0.745 4.636 1.860 55 HD12 LEU 34 2HD1 LEU 34 -2.443 4.755 1.446 56 HD13 LEU 34 3HD1 LEU 34 -1.918 3.514 2.567 57 HD21 LEU 34 3HD2 LEU 34 -1.516 3.697 -1.578 58 HD22 LEU 34 1HD2 LEU 34 -0.802 4.914 -0.511 59 HD23 LEU 34 2HD2 LEU 34 0.102 3.473 -0.956 60 H PHE 35 H PHE 35 1.140 0.477 3.688 61 HA PHE 35 HA PHE 35 3.284 -1.079 2.404 62 HD1 PHE 35 HD2 PHE 35 4.297 -3.059 3.537 63 HD2 PHE 35 HD1 PHE 35 5.016 -0.119 6.627 64 HE1 PHE 35 HE2 PHE 35 6.023 -4.508 4.519 65 HE2 PHE 35 HE1 PHE 35 6.760 -1.599 7.600 66 HZ PHE 35 HZ PHE 35 7.272 -3.788 6.542 67 HB2 PHE 35 2HB PHE 35 4.130 0.214 3.864 68 HB3 PHE 35 3HB PHE 35 3.098 0.232 5.109 69 H VAL 36 H VAL 36 2.394 -2.532 1.517 70 HA VAL 36 HA VAL 36 0.138 -4.110 2.664 71 HB VAL 36 HB VAL 36 0.900 -2.764 0.079 72 HG11 VAL 36 1HG1 VAL 36 -1.087 -3.274 -0.984 73 HG12 VAL 36 2HG1 VAL 36 0.003 -4.641 -0.864 74 HG13 VAL 36 3HG1 VAL 36 -1.443 -4.538 0.221 75 HG21 VAL 36 3HG2 VAL 36 -0.443 -1.623 2.070 76 HG22 VAL 36 1HG2 VAL 36 -1.191 -1.521 0.501 77 HG23 VAL 36 2HG2 VAL 36 -1.747 -2.750 1.654 78 H ARG 37 H ARG 37 0.995 -5.833 3.378 79 HA ARG 37 HA ARG 37 3.031 -7.396 1.847 80 HE ARG 37 HE ARG 37 3.040 -6.956 8.225 81 HB2 ARG 37 2HB ARG 37 4.246 -7.627 3.943 82 HB3 ARG 37 3HB ARG 37 4.078 -5.943 3.479 83 HG2 ARG 37 2HG ARG 37 2.584 -5.438 5.203 84 HG3 ARG 37 3HG ARG 37 2.096 -7.119 5.440 85 HD2 ARG 37 2HD ARG 37 4.244 -7.696 6.393 86 HD3 ARG 37 3HD ARG 37 4.882 -6.088 6.099 87 HH11 ARG 37 1HH2 ARG 37 4.268 -4.022 6.643 88 HH12 ARG 37 2HH2 ARG 37 3.709 -3.059 8.003 89 HH21 ARG 37 2HH1 ARG 37 2.416 -5.494 9.860 90 HH22 ARG 37 1HH1 ARG 37 2.794 -3.788 9.603 91 HA PRO 38 HA PRO 38 0.370 -10.490 4.694 92 HB2 PRO 38 2HB PRO 38 -1.905 -9.798 2.773 93 HB3 PRO 38 3HB PRO 38 -2.018 -10.649 4.334 94 HG2 PRO 38 2HG PRO 38 -2.499 -8.067 4.363 95 HG3 PRO 38 3HG PRO 38 -1.275 -8.656 5.523 96 HD2 PRO 38 2HD PRO 38 -0.763 -7.400 2.805 97 HD3 PRO 38 3HD PRO 38 -0.011 -7.028 4.400 98 H PHE 39 H PHE 39 0.294 -9.921 1.235 99 HA PHE 39 HA PHE 39 -0.375 -12.554 0.416 100 HD1 PHE 39 HD1 PHE 39 1.272 -8.611 -0.288 101 HD2 PHE 39 HD2 PHE 39 -2.481 -10.501 -1.322 102 HE1 PHE 39 HE1 PHE 39 0.113 -6.518 0.055 103 HE2 PHE 39 HE2 PHE 39 -3.617 -8.288 -1.153 104 HZ PHE 39 HZ PHE 39 -2.356 -6.307 -0.468 105 HB2 PHE 39 2HB PHE 39 1.135 -10.810 -1.475 106 HB3 PHE 39 3HB PHE 39 -0.379 -11.655 -1.704 107 HA PRO 40 HA PRO 40 3.792 -14.077 -0.339 108 HB2 PRO 40 2HB PRO 40 3.328 -16.103 -2.172 109 HB3 PRO 40 3HB PRO 40 2.769 -16.230 -0.480 110 HG2 PRO 40 2HG PRO 40 1.179 -15.282 -2.887 111 HG3 PRO 40 3HG PRO 40 0.714 -16.526 -1.681 112 HD2 PRO 40 2HD PRO 40 -0.101 -13.919 -1.518 113 HD3 PRO 40 3HD PRO 40 0.241 -14.895 -0.057 114 H LEU 41 H LEU 41 5.019 -14.750 -2.636 115 HA LEU 41 HA LEU 41 5.540 -12.333 -3.979 116 HG LEU 41 HG LEU 41 8.024 -12.881 -4.073 117 HB2 LEU 41 2HB LEU 41 6.166 -15.239 -4.578 118 HB3 LEU 41 3HB LEU 41 6.635 -13.954 -5.681 119 HD11 LEU 41 1HD1 LEU 41 7.295 -15.100 -2.121 120 HD12 LEU 41 2HD1 LEU 41 8.624 -13.940 -1.916 121 HD13 LEU 41 3HD1 LEU 41 6.962 -13.358 -1.932 122 HD21 LEU 41 3HD2 LEU 41 8.958 -14.682 -5.465 123 HD22 LEU 41 1HD2 LEU 41 9.773 -14.594 -3.898 124 HD23 LEU 41 2HD2 LEU 41 8.572 -15.869 -4.203 125 H ASP 42 H ASP 42 2.880 -14.376 -4.542 126 HA ASP 42 HA ASP 42 2.371 -13.923 -7.319 127 HB2 ASP 42 2HB ASP 42 0.500 -14.623 -5.030 128 HB3 ASP 42 3HB ASP 42 0.102 -14.741 -6.739 129 H VAL 43 H VAL 43 2.129 -11.583 -4.787 130 HA VAL 43 HA VAL 43 -0.008 -10.024 -6.113 131 HB VAL 43 HB VAL 43 0.305 -10.028 -3.643 132 HG11 VAL 43 1HG1 VAL 43 2.668 -8.166 -4.144 133 HG12 VAL 43 2HG1 VAL 43 1.976 -8.627 -2.581 134 HG13 VAL 43 3HG1 VAL 43 2.802 -9.841 -3.561 135 HG21 VAL 43 3HG2 VAL 43 0.409 -7.258 -4.928 136 HG22 VAL 43 1HG2 VAL 43 -1.025 -8.286 -4.739 137 HG23 VAL 43 2HG2 VAL 43 -0.197 -7.666 -3.313 138 H GLN 44 H GLN 44 0.269 -8.035 -7.156 139 HA GLN 44 HA GLN 44 2.667 -6.617 -7.294 140 HB2 GLN 44 2HB GLN 44 3.269 -6.710 -9.682 141 HB3 GLN 44 3HB GLN 44 3.672 -8.138 -8.807 142 HG2 GLN 44 2HG GLN 44 1.094 -8.080 -10.396 143 HG3 GLN 44 3HG GLN 44 2.637 -8.258 -11.213 144 HE21 GLN 44 1HE2 GLN 44 0.208 -9.973 -9.557 145 HE22 GLN 44 2HE2 GLN 44 1.096 -11.457 -9.261 146 H GLU 45 H GLU 45 2.332 -5.077 -9.595 147 HA GLU 45 HA GLU 45 0.422 -3.254 -8.691 148 HB2 GLU 45 2HB GLU 45 0.855 -1.975 -10.682 149 HB3 GLU 45 3HB GLU 45 2.351 -2.619 -10.008 150 HG2 GLU 45 2HG GLU 45 2.373 -4.409 -11.689 151 HG3 GLU 45 3HG GLU 45 0.855 -3.806 -12.370 152 H SER 46 H SER 46 -0.320 -5.989 -10.726 153 HA SER 46 HA SER 46 -2.854 -4.972 -11.746 154 HG SER 46 HG SER 46 -3.401 -8.501 -11.496 155 HB2 SER 46 2HB SER 46 -1.908 -6.693 -12.984 156 HB3 SER 46 3HB SER 46 -1.482 -7.653 -11.563 157 H GLU 47 H GLU 47 -1.837 -6.544 -8.706 158 HA GLU 47 HA GLU 47 -4.559 -7.362 -7.912 159 HB2 GLU 47 2HB GLU 47 -1.677 -7.691 -6.954 160 HB3 GLU 47 3HB GLU 47 -3.001 -8.059 -5.915 161 HG2 GLU 47 2HG GLU 47 -2.237 -10.079 -7.005 162 HG3 GLU 47 3HG GLU 47 -3.883 -9.711 -7.534 163 H LEU 48 H LEU 48 -1.904 -5.134 -7.147 164 HA LEU 48 HA LEU 48 -3.277 -3.559 -5.165 165 HG LEU 48 HG LEU 48 -0.521 -4.801 -5.528 166 HB2 LEU 48 2HB LEU 48 -1.116 -2.871 -7.192 167 HB3 LEU 48 3HB LEU 48 -1.536 -1.931 -5.822 168 HD11 LEU 48 1HD1 LEU 48 1.100 -2.258 -5.308 169 HD12 LEU 48 2HD1 LEU 48 1.648 -3.936 -5.127 170 HD13 LEU 48 3HD1 LEU 48 1.101 -3.354 -6.708 171 HD21 LEU 48 3HD2 LEU 48 -1.526 -3.945 -3.510 172 HD22 LEU 48 1HD2 LEU 48 0.237 -3.957 -3.356 173 HD23 LEU 48 2HD2 LEU 48 -0.599 -2.404 -3.683 174 H ASN 49 H ASN 49 -3.125 -3.492 -8.774 175 HA ASN 49 HA ASN 49 -4.849 -1.206 -9.101 176 HB2 ASN 49 2HB ASN 49 -3.978 -3.381 -10.888 177 HB3 ASN 49 3HB ASN 49 -5.601 -2.863 -11.222 178 HD21 ASN 49 2HD2 ASN 49 -2.258 -1.815 -11.030 179 HD22 ASN 49 1HD2 ASN 49 -2.481 -0.384 -12.041 180 H GLU 50 H GLU 50 -5.827 -4.634 -8.709 181 HA GLU 50 HA GLU 50 -8.648 -4.164 -8.733 182 HB2 GLU 50 2HB GLU 50 -6.804 -6.254 -7.641 183 HB3 GLU 50 3HB GLU 50 -8.478 -6.283 -7.097 184 HG2 GLU 50 2HG GLU 50 -7.604 -6.279 -10.036 185 HG3 GLU 50 3HG GLU 50 -7.913 -7.740 -9.102 186 H ILE 51 H ILE 51 -6.361 -4.028 -5.989 187 HA ILE 51 HA ILE 51 -8.478 -3.596 -4.024 188 HB ILE 51 HB ILE 51 -5.483 -3.567 -4.020 189 HG12 ILE 51 2HG1 ILE 51 -7.358 -5.557 -2.680 190 HG13 ILE 51 3HG1 ILE 51 -6.744 -5.759 -4.309 191 HG21 ILE 51 1HG2 ILE 51 -5.549 -3.554 -1.499 192 HG22 ILE 51 2HG2 ILE 51 -6.147 -2.048 -2.176 193 HG23 ILE 51 3HG2 ILE 51 -7.302 -3.264 -1.585 194 HD11 ILE 51 3HD1 ILE 51 -5.334 -7.064 -2.923 195 HD12 ILE 51 1HD1 ILE 51 -4.384 -5.646 -3.387 196 HD13 ILE 51 2HD1 ILE 51 -5.100 -5.752 -1.759 197 H PHE 52 H PHE 52 -6.116 -1.465 -5.622 198 HA PHE 52 HA PHE 52 -6.776 0.826 -3.911 199 HD1 PHE 52 HD2 PHE 52 -4.417 -1.766 -4.252 200 HD2 PHE 52 HD1 PHE 52 -3.876 2.307 -2.998 201 HE1 PHE 52 HE2 PHE 52 -2.844 -2.535 -2.540 202 HE2 PHE 52 HE1 PHE 52 -2.128 1.542 -1.451 203 HZ PHE 52 HZ PHE 52 -1.487 -0.852 -1.346 204 HB2 PHE 52 2HB PHE 52 -4.610 0.347 -5.876 205 HB3 PHE 52 3HB PHE 52 -4.878 1.881 -5.078 206 H GLY 53 H GLY 53 -7.415 -0.288 -7.158 207 HA2 GLY 53 2HA GLY 53 -7.994 1.972 -8.670 208 HA3 GLY 53 3HA GLY 53 -8.894 0.455 -8.709 209 HA PRO 54 HA PRO 54 -12.330 2.386 -6.499 210 HB2 PRO 54 2HB PRO 54 -11.605 1.699 -3.665 211 HB3 PRO 54 3HB PRO 54 -13.129 1.388 -4.551 212 HG2 PRO 54 2HG PRO 54 -11.384 -0.629 -4.063 213 HG3 PRO 54 3HG PRO 54 -12.163 -0.500 -5.678 214 HD2 PRO 54 2HD PRO 54 -9.479 0.593 -4.808 215 HD3 PRO 54 3HD PRO 54 -9.774 -0.519 -6.162 216 H PHE 55 H PHE 55 -9.188 3.166 -5.018 217 HA PHE 55 HA PHE 55 -10.199 5.494 -3.567 218 HD1 PHE 55 HD2 PHE 55 -10.194 3.424 -2.337 219 HD2 PHE 55 HD1 PHE 55 -5.931 3.517 -2.812 220 HE1 PHE 55 HE2 PHE 55 -10.048 1.189 -1.274 221 HE2 PHE 55 HE1 PHE 55 -5.758 1.382 -1.445 222 HZ PHE 55 HZ PHE 55 -7.847 0.203 -0.786 223 HB2 PHE 55 2HB PHE 55 -7.293 4.849 -4.079 224 HB3 PHE 55 3HB PHE 55 -7.985 5.751 -2.770 225 H GLY 56 H GLY 56 -8.015 4.844 -6.275 226 HA2 GLY 56 2HA GLY 56 -8.469 6.032 -8.303 227 HA3 GLY 56 3HA GLY 56 -8.572 7.534 -7.382 228 HA PRO 57 HA PRO 57 -4.584 8.514 -8.531 229 HB2 PRO 57 2HB PRO 57 -3.622 10.198 -6.629 230 HB3 PRO 57 3HB PRO 57 -5.195 10.460 -7.428 231 HG2 PRO 57 2HG PRO 57 -4.691 9.042 -4.788 232 HG3 PRO 57 3HG PRO 57 -5.774 10.443 -5.090 233 HD2 PRO 57 2HD PRO 57 -6.707 7.883 -5.114 234 HD3 PRO 57 3HD PRO 57 -7.330 9.116 -6.254 235 H MET 58 H MET 58 -4.300 5.788 -7.388 236 HA MET 58 HA MET 58 -1.835 5.276 -6.012 237 HB2 MET 58 2HB MET 58 -1.630 3.322 -7.459 238 HB3 MET 58 3HB MET 58 -3.078 3.421 -6.455 239 HG2 MET 58 2HG MET 58 -4.514 3.622 -8.210 240 HG3 MET 58 3HG MET 58 -3.358 4.467 -9.244 241 HE1 MET 58 3HE MET 58 -2.893 1.198 -7.228 242 HE2 MET 58 1HE MET 58 -4.504 0.914 -7.914 243 HE3 MET 58 2HE MET 58 -3.111 -0.073 -8.443 244 H LYS 59 H LYS 59 -0.120 6.400 -6.288 245 HA LYS 59 HA LYS 59 0.670 7.505 -8.916 246 HB2 LYS 59 2HB LYS 59 0.221 8.811 -6.746 247 HB3 LYS 59 3HB LYS 59 1.703 8.078 -6.098 248 HG2 LYS 59 2HG LYS 59 2.894 9.042 -8.152 249 HG3 LYS 59 3HG LYS 59 1.324 9.832 -8.494 250 HD2 LYS 59 2HD LYS 59 2.897 11.296 -7.436 251 HD3 LYS 59 3HD LYS 59 1.503 10.964 -6.416 252 HE2 LYS 59 2HE LYS 59 3.440 11.079 -5.019 253 HE3 LYS 59 3HE LYS 59 2.936 9.384 -5.072 254 HZ1 LYS 59 3HZ LYS 59 5.218 10.593 -6.533 255 HZ2 LYS 59 1HZ LYS 59 5.259 9.389 -5.405 256 HZ3 LYS 59 2HZ LYS 59 4.648 9.095 -6.879 257 H GLU 60 H GLU 60 2.047 5.728 -6.204 258 HA GLU 60 HA GLU 60 3.984 4.459 -8.039 259 HB2 GLU 60 2HB GLU 60 4.866 6.392 -6.142 260 HB3 GLU 60 3HB GLU 60 5.356 4.821 -5.507 261 HG2 GLU 60 2HG GLU 60 5.895 5.591 -8.402 262 HG3 GLU 60 3HG GLU 60 6.875 6.231 -7.108 263 H VAL 61 H VAL 61 4.951 2.581 -7.286 264 HA VAL 61 HA VAL 61 3.187 0.918 -5.614 265 HB VAL 61 HB VAL 61 3.336 0.344 -8.639 266 HG11 VAL 61 1HG1 VAL 61 1.130 -0.401 -6.693 267 HG12 VAL 61 2HG1 VAL 61 1.493 -1.107 -8.290 268 HG13 VAL 61 3HG1 VAL 61 2.590 -1.379 -6.927 269 HG21 VAL 61 3HG2 VAL 61 2.173 2.474 -8.669 270 HG22 VAL 61 1HG2 VAL 61 1.075 1.154 -9.042 271 HG23 VAL 61 2HG2 VAL 61 1.027 1.898 -7.440 272 H LYS 62 H LYS 62 5.393 0.943 -4.731 273 HA LYS 62 HA LYS 62 7.562 -0.338 -6.198 274 HB2 LYS 62 2HB LYS 62 7.328 0.181 -3.216 275 HB3 LYS 62 3HB LYS 62 8.808 -0.084 -4.146 276 HG2 LYS 62 2HG LYS 62 8.137 2.043 -5.450 277 HG3 LYS 62 3HG LYS 62 6.928 2.316 -4.196 278 HD2 LYS 62 2HD LYS 62 8.656 3.562 -3.324 279 HD3 LYS 62 3HD LYS 62 8.982 2.012 -2.547 280 HE2 LYS 62 2HE LYS 62 11.088 2.563 -3.390 281 HE3 LYS 62 3HE LYS 62 10.451 1.530 -4.678 282 HZ1 LYS 62 3HZ LYS 62 10.619 4.485 -4.605 283 HZ2 LYS 62 1HZ LYS 62 11.314 3.495 -5.694 284 HZ3 LYS 62 2HZ LYS 62 9.683 3.722 -5.743 285 H ILE 63 H ILE 63 7.534 -2.483 -6.624 286 HA ILE 63 HA ILE 63 6.160 -4.335 -4.714 287 HB ILE 63 HB ILE 63 6.919 -5.099 -7.548 288 HG12 ILE 63 2HG1 ILE 63 5.476 -3.223 -7.962 289 HG13 ILE 63 3HG1 ILE 63 4.779 -4.745 -8.460 290 HG21 ILE 63 1HG2 ILE 63 6.423 -6.940 -6.038 291 HG22 ILE 63 2HG2 ILE 63 4.882 -6.206 -5.569 292 HG23 ILE 63 3HG2 ILE 63 5.134 -6.803 -7.225 293 HD11 ILE 63 3HD1 ILE 63 3.310 -4.731 -6.412 294 HD12 ILE 63 1HD1 ILE 63 3.942 -3.122 -6.019 295 HD13 ILE 63 2HD1 ILE 63 3.055 -3.410 -7.540 296 H LEU 64 H LEU 64 7.433 -5.610 -3.558 297 HA LEU 64 HA LEU 64 10.142 -6.406 -4.555 298 HG LEU 64 HG LEU 64 11.207 -4.192 -3.752 299 HB2 LEU 64 2HB LEU 64 9.370 -5.564 -1.766 300 HB3 LEU 64 3HB LEU 64 10.909 -6.217 -2.293 301 HD11 LEU 64 1HD1 LEU 64 8.628 -3.319 -2.503 302 HD12 LEU 64 2HD1 LEU 64 9.914 -2.118 -2.835 303 HD13 LEU 64 3HD1 LEU 64 9.268 -3.044 -4.143 304 HD21 LEU 64 3HD2 LEU 64 12.298 -4.490 -1.667 305 HD22 LEU 64 1HD2 LEU 64 11.714 -2.811 -1.704 306 HD23 LEU 64 2HD2 LEU 64 10.819 -4.078 -0.778 307 H ASN 65 H ASN 65 9.534 -8.494 -5.108 308 HA ASN 65 HA ASN 65 8.878 -10.674 -4.866 309 HB2 ASN 65 2HB ASN 65 9.732 -10.502 -1.951 310 HB3 ASN 65 3HB ASN 65 9.851 -11.865 -3.052 311 HD21 ASN 65 2HD2 ASN 65 11.364 -9.049 -1.788 312 HD22 ASN 65 1HD2 ASN 65 12.811 -9.104 -2.770 313 H GLY 66 H GLY 66 7.990 -10.528 -1.526 314 HA2 GLY 66 2HA GLY 66 5.134 -10.955 -2.072 315 HA3 GLY 66 3HA GLY 66 5.964 -11.096 -0.536 316 H PHE 67 H PHE 67 7.000 -8.102 -1.469 317 HA PHE 67 HA PHE 67 4.852 -6.839 0.145 318 HD1 PHE 67 HD2 PHE 67 5.745 -7.134 2.505 319 HD2 PHE 67 HD1 PHE 67 9.290 -7.652 0.161 320 HE1 PHE 67 HE2 PHE 67 6.395 -9.032 3.980 321 HE2 PHE 67 HE1 PHE 67 9.913 -9.623 1.541 322 HZ PHE 67 HZ PHE 67 8.491 -10.304 3.476 323 HB2 PHE 67 2HB PHE 67 7.706 -5.917 -0.376 324 HB3 PHE 67 3HB PHE 67 6.613 -5.349 0.874 325 H ALA 68 H ALA 68 4.155 -4.825 -0.191 326 HA ALA 68 HA ALA 68 4.658 -3.348 -2.783 327 HB1 ALA 68 1HB ALA 68 2.685 -4.691 -3.059 328 HB2 ALA 68 2HB ALA 68 2.009 -4.019 -1.557 329 HB3 ALA 68 3HB ALA 68 2.320 -2.951 -2.943 330 H PHE 69 H PHE 69 5.227 -1.386 -2.405 331 HA PHE 69 HA PHE 69 3.979 0.034 -0.133 332 HD1 PHE 69 HD1 PHE 69 5.674 -0.866 1.932 333 HD2 PHE 69 HD2 PHE 69 8.390 -0.352 -1.370 334 HE1 PHE 69 HE1 PHE 69 6.959 -2.912 2.628 335 HE2 PHE 69 HE2 PHE 69 9.658 -2.315 -0.641 336 HZ PHE 69 HZ PHE 69 8.943 -3.660 1.257 337 HB2 PHE 69 2HB PHE 69 6.589 1.032 -1.210 338 HB3 PHE 69 3HB PHE 69 5.857 1.341 0.356 339 H VAL 70 H VAL 70 2.296 0.503 -1.277 340 HA VAL 70 HA VAL 70 2.498 1.930 -3.846 341 HB VAL 70 HB VAL 70 0.000 1.614 -2.188 342 HG11 VAL 70 1HG1 VAL 70 0.434 1.570 -5.175 343 HG12 VAL 70 2HG1 VAL 70 -1.112 1.465 -4.332 344 HG13 VAL 70 3HG1 VAL 70 -0.202 3.012 -4.292 345 HG21 VAL 70 3HG2 VAL 70 0.850 -0.630 -2.516 346 HG22 VAL 70 1HG2 VAL 70 -0.425 -0.335 -3.715 347 HG23 VAL 70 2HG2 VAL 70 1.286 -0.191 -4.221 348 H GLU 71 H GLU 71 1.673 4.108 -4.080 349 HA GLU 71 HA GLU 71 2.157 5.881 -1.717 350 HB2 GLU 71 2HB GLU 71 4.317 5.249 -3.071 351 HB3 GLU 71 3HB GLU 71 3.589 6.192 -4.365 352 HG2 GLU 71 2HG GLU 71 3.465 8.188 -2.955 353 HG3 GLU 71 3HG GLU 71 4.087 7.273 -1.588 354 H PHE 72 H PHE 72 1.243 7.891 -2.012 355 HA PHE 72 HA PHE 72 -0.184 8.509 -4.579 356 HD1 PHE 72 HD2 PHE 72 -1.948 7.022 -4.683 357 HD2 PHE 72 HD1 PHE 72 -2.181 7.731 -0.446 358 HE1 PHE 72 HE2 PHE 72 -3.351 4.946 -4.396 359 HE2 PHE 72 HE1 PHE 72 -3.584 5.696 -0.179 360 HZ PHE 72 HZ PHE 72 -4.134 4.310 -2.117 361 HB2 PHE 72 2HB PHE 72 -1.063 9.243 -1.770 362 HB3 PHE 72 3HB PHE 72 -1.928 9.491 -3.270 363 H GLU 73 H GLU 73 -0.543 10.787 -4.993 364 HA GLU 73 HA GLU 73 1.472 12.587 -3.775 365 HB2 GLU 73 2HB GLU 73 0.636 14.330 -5.356 366 HB3 GLU 73 3HB GLU 73 1.531 12.992 -5.999 367 HG2 GLU 73 2HG GLU 73 -0.707 11.921 -6.662 368 HG3 GLU 73 3HG GLU 73 -1.500 13.377 -6.063 369 H GLU 74 H GLU 74 -1.524 11.470 -3.070 370 HA GLU 74 HA GLU 74 -2.758 13.943 -1.952 371 HB2 GLU 74 2HB GLU 74 -3.829 12.976 -3.992 372 HB3 GLU 74 3HB GLU 74 -4.032 11.439 -3.156 373 HG2 GLU 74 2HG GLU 74 -5.479 12.574 -1.475 374 HG3 GLU 74 3HG GLU 74 -5.297 14.090 -2.343 375 H ALA 75 H ALA 75 -2.138 13.803 0.227 376 HA ALA 75 HA ALA 75 -2.079 11.388 1.760 377 HB1 ALA 75 1HB ALA 75 -0.919 13.469 2.427 378 HB2 ALA 75 2HB ALA 75 -2.492 14.252 2.714 379 HB3 ALA 75 3HB ALA 75 -1.975 12.867 3.702 380 H GLU 76 H GLU 76 -4.806 13.319 0.702 381 HA GLU 76 HA GLU 76 -6.756 12.148 2.506 382 HB2 GLU 76 2HB GLU 76 -7.257 13.268 -0.268 383 HB3 GLU 76 3HB GLU 76 -8.434 13.011 1.008 384 HG2 GLU 76 2HG GLU 76 -6.153 15.033 1.022 385 HG3 GLU 76 3HG GLU 76 -7.857 15.377 0.778 386 H SER 77 H SER 77 -5.164 10.941 -0.422 387 HA SER 77 HA SER 77 -7.030 8.674 -0.622 388 HG SER 77 HG SER 77 -5.016 6.885 -2.321 389 HB2 SER 77 2HB SER 77 -5.835 9.485 -2.659 390 HB3 SER 77 3HB SER 77 -4.320 8.911 -1.976 391 H ALA 78 H ALA 78 -3.942 9.386 0.922 392 HA ALA 78 HA ALA 78 -3.553 6.677 1.824 393 HB1 ALA 78 1HB ALA 78 -2.748 9.153 3.346 394 HB2 ALA 78 2HB ALA 78 -1.908 7.579 3.202 395 HB3 ALA 78 3HB ALA 78 -2.003 8.688 1.809 396 H ALA 79 H ALA 79 -5.200 9.490 3.387 397 HA ALA 79 HA ALA 79 -6.429 8.199 5.551 398 HB1 ALA 79 1HB ALA 79 -7.586 10.412 3.829 399 HB2 ALA 79 2HB ALA 79 -8.031 10.004 5.500 400 HB3 ALA 79 3HB ALA 79 -6.408 10.626 5.147 401 H LYS 80 H LYS 80 -7.864 8.483 2.201 402 HA LYS 80 HA LYS 80 -10.046 6.846 3.023 403 HB2 LYS 80 2HB LYS 80 -10.973 7.230 0.983 404 HB3 LYS 80 3HB LYS 80 -9.783 8.525 0.970 405 HG2 LYS 80 2HG LYS 80 -8.317 6.896 -0.423 406 HG3 LYS 80 3HG LYS 80 -9.732 5.870 -0.493 407 HD2 LYS 80 2HD LYS 80 -10.209 7.134 -2.377 408 HD3 LYS 80 3HD LYS 80 -10.912 8.244 -1.222 409 HE2 LYS 80 2HE LYS 80 -8.803 9.531 -1.162 410 HE3 LYS 80 3HE LYS 80 -8.046 8.347 -2.248 411 HZ1 LYS 80 3HZ LYS 80 -8.738 10.356 -3.379 412 HZ2 LYS 80 1HZ LYS 80 -9.497 9.021 -4.004 413 HZ3 LYS 80 2HZ LYS 80 -10.315 10.069 -3.030 414 H ALA 81 H ALA 81 -7.035 5.970 1.422 415 HA ALA 81 HA ALA 81 -7.640 3.272 0.831 416 HB1 ALA 81 1HB ALA 81 -4.963 4.477 1.585 417 HB2 ALA 81 2HB ALA 81 -5.244 2.917 0.779 418 HB3 ALA 81 3HB ALA 81 -5.690 4.412 -0.036 419 H ILE 82 H ILE 82 -6.265 4.833 3.809 420 HA ILE 82 HA ILE 82 -6.055 2.573 5.435 421 HB ILE 82 HB ILE 82 -6.739 5.413 6.193 422 HG12 ILE 82 2HG1 ILE 82 -4.104 4.168 6.928 423 HG13 ILE 82 3HG1 ILE 82 -4.313 4.622 5.246 424 HG21 ILE 82 1HG2 ILE 82 -7.505 3.976 8.056 425 HG22 ILE 82 2HG2 ILE 82 -5.900 3.213 8.122 426 HG23 ILE 82 3HG2 ILE 82 -6.103 4.920 8.517 427 HD11 ILE 82 3HD1 ILE 82 -3.346 6.495 6.428 428 HD12 ILE 82 1HD1 ILE 82 -5.021 6.883 5.992 429 HD13 ILE 82 2HD1 ILE 82 -4.640 6.455 7.653 430 H GLU 83 H GLU 83 -8.822 4.847 5.291 431 HA GLU 83 HA GLU 83 -10.538 3.302 6.945 432 HB2 GLU 83 2HB GLU 83 -11.137 5.368 4.823 433 HB3 GLU 83 3HB GLU 83 -12.349 4.713 5.925 434 HG2 GLU 83 2HG GLU 83 -9.794 6.107 6.884 435 HG3 GLU 83 3HG GLU 83 -11.320 6.924 6.590 436 H GLU 84 H GLU 84 -9.754 2.827 3.580 437 HA GLU 84 HA GLU 84 -12.093 1.129 2.966 438 HB2 GLU 84 2HB GLU 84 -9.568 1.907 1.463 439 HB3 GLU 84 3HB GLU 84 -10.695 0.719 0.833 440 HG2 GLU 84 2HG GLU 84 -11.665 3.482 1.564 441 HG3 GLU 84 3HG GLU 84 -10.847 3.199 0.029 442 H VAL 85 H VAL 85 -8.604 0.618 3.634 443 HA VAL 85 HA VAL 85 -9.084 -2.312 3.878 444 HB VAL 85 HB VAL 85 -8.858 -1.793 1.548 445 HG11 VAL 85 1HG1 VAL 85 -6.185 -0.607 2.244 446 HG12 VAL 85 2HG1 VAL 85 -6.605 -1.144 0.601 447 HG13 VAL 85 3HG1 VAL 85 -7.542 0.133 1.398 448 HG21 VAL 85 3HG2 VAL 85 -8.047 -3.983 2.405 449 HG22 VAL 85 1HG2 VAL 85 -7.341 -3.463 0.872 450 HG23 VAL 85 2HG2 VAL 85 -6.400 -3.314 2.354 451 H HIS 86 H HIS 86 -7.357 0.277 5.284 452 HA HIS 86 HA HIS 86 -5.059 -1.267 6.197 453 HD1 HIS 86 HD1 HIS 86 -2.843 1.393 7.401 454 HD2 HIS 86 HD2 HIS 86 -5.627 -0.397 9.987 455 HE1 HIS 86 HE1 HIS 86 -1.600 0.940 9.603 456 HB2 HIS 86 2HB HIS 86 -5.173 1.171 6.407 457 HB3 HIS 86 3HB HIS 86 -6.460 1.031 7.601 458 H GLY 87 H GLY 87 -5.233 -3.140 7.338 459 HA2 GLY 87 2HA GLY 87 -5.325 -4.087 9.522 460 HA3 GLY 87 3HA GLY 87 -6.627 -2.992 9.975 461 H LYS 88 H LYS 88 -7.343 -3.993 6.961 462 HA LYS 88 HA LYS 88 -9.353 -6.044 7.616 463 HB2 LYS 88 2HB LYS 88 -8.332 -4.565 5.150 464 HB3 LYS 88 3HB LYS 88 -9.386 -5.887 5.018 465 HG2 LYS 88 2HG LYS 88 -10.679 -3.866 4.864 466 HG3 LYS 88 3HG LYS 88 -11.143 -4.677 6.353 467 HD2 LYS 88 2HD LYS 88 -9.999 -3.078 7.714 468 HD3 LYS 88 3HD LYS 88 -9.025 -2.515 6.356 469 HE2 LYS 88 2HE LYS 88 -11.129 -1.653 5.278 470 HE3 LYS 88 3HE LYS 88 -11.983 -2.015 6.782 471 HZ1 LYS 88 3HZ LYS 88 -9.667 -0.143 6.547 472 HZ2 LYS 88 1HZ LYS 88 -11.230 0.302 6.693 473 HZ3 LYS 88 2HZ LYS 88 -10.466 -0.475 7.926 474 H SER 89 H SER 89 -9.074 -8.174 7.055 475 HA SER 89 HA SER 89 -6.283 -9.081 6.922 476 HG SER 89 HG SER 89 -9.391 -10.997 6.654 477 HB2 SER 89 2HB SER 89 -7.257 -11.321 7.389 478 HB3 SER 89 3HB SER 89 -7.541 -10.080 8.624 479 H PHE 90 H PHE 90 -5.537 -8.762 4.777 480 HA PHE 90 HA PHE 90 -7.072 -10.075 2.592 481 HD1 PHE 90 HD2 PHE 90 -4.180 -10.690 0.578 482 HD2 PHE 90 HD1 PHE 90 -7.197 -7.611 0.412 483 HE1 PHE 90 HE2 PHE 90 -4.775 -11.392 -1.721 484 HE2 PHE 90 HE1 PHE 90 -7.724 -8.260 -1.918 485 HZ PHE 90 HZ PHE 90 -6.559 -10.190 -2.963 486 HB2 PHE 90 2HB PHE 90 -6.029 -7.908 2.318 487 HB3 PHE 90 3HB PHE 90 -4.432 -8.585 2.436 488 H ALA 91 H ALA 91 -6.509 -11.925 1.604 489 HA ALA 91 HA ALA 91 -5.889 -14.043 1.348 490 HB1 ALA 91 1HB ALA 91 -3.135 -13.021 2.103 491 HB2 ALA 91 2HB ALA 91 -3.497 -14.569 1.316 492 HB3 ALA 91 3HB ALA 91 -3.870 -13.049 0.481 493 H ASN 92 H ASN 92 -4.106 -13.136 4.300 494 HA ASN 92 HA ASN 92 -5.595 -15.000 5.985 495 HB2 ASN 92 2HB ASN 92 -3.597 -16.294 6.689 496 HB3 ASN 92 3HB ASN 92 -3.969 -16.531 4.993 497 HD21 ASN 92 2HD2 ASN 92 -1.642 -15.006 7.246 498 HD22 ASN 92 1HD2 ASN 92 -0.413 -14.810 6.015 499 H GLN 93 H GLN 93 -4.015 -12.015 5.690 500 HA GLN 93 HA GLN 93 -3.948 -11.513 8.569 501 HB2 GLN 93 2HB GLN 93 -1.539 -11.122 8.738 502 HB3 GLN 93 3HB GLN 93 -1.890 -12.784 8.330 503 HG2 GLN 93 2HG GLN 93 -1.426 -12.121 5.883 504 HG3 GLN 93 3HG GLN 93 -0.764 -10.618 6.555 505 HE21 GLN 93 2HE2 GLN 93 0.578 -12.900 5.017 506 HE22 GLN 93 1HE2 GLN 93 1.826 -13.455 6.131 507 HA PRO 94 HA PRO 94 -4.709 -7.618 7.098 508 HB2 PRO 94 2HB PRO 94 -4.116 -5.884 9.159 509 HB3 PRO 94 3HB PRO 94 -5.374 -7.159 9.286 510 HG2 PRO 94 2HG PRO 94 -2.461 -7.335 10.149 511 HG3 PRO 94 3HG PRO 94 -3.927 -7.682 11.135 512 HD2 PRO 94 2HD PRO 94 -2.532 -9.620 9.876 513 HD3 PRO 94 3HD PRO 94 -4.326 -9.668 9.894 514 H LEU 95 H LEU 95 -4.286 -5.869 6.106 515 HA LEU 95 HA LEU 95 -1.714 -5.141 5.054 516 HG LEU 95 HG LEU 95 -4.360 -4.017 2.691 517 HB2 LEU 95 2HB LEU 95 -4.457 -3.815 5.228 518 HB3 LEU 95 3HB LEU 95 -3.133 -3.115 4.380 519 HD11 LEU 95 1HD1 LEU 95 -3.236 -5.697 1.591 520 HD12 LEU 95 2HD1 LEU 95 -1.995 -4.866 2.553 521 HD13 LEU 95 3HD1 LEU 95 -2.672 -6.419 3.087 522 HD21 LEU 95 3HD2 LEU 95 -5.953 -5.178 4.074 523 HD22 LEU 95 1HD2 LEU 95 -5.538 -5.879 2.520 524 HD23 LEU 95 2HD2 LEU 95 -4.868 -6.604 4.019 525 H GLU 96 H GLU 96 -0.571 -3.117 5.323 526 HA GLU 96 HA GLU 96 -1.280 -1.400 7.640 527 HB2 GLU 96 2HB GLU 96 0.716 -2.948 8.036 528 HB3 GLU 96 3HB GLU 96 1.589 -1.975 6.841 529 HG2 GLU 96 2HG GLU 96 0.763 0.056 8.336 530 HG3 GLU 96 3HG GLU 96 0.498 -1.179 9.553 531 H VAL 97 H VAL 97 -2.377 -0.894 5.482 532 HA VAL 97 HA VAL 97 -1.207 0.769 3.439 533 HB VAL 97 HB VAL 97 -3.945 0.451 4.690 534 HG11 VAL 97 1HG1 VAL 97 -4.048 2.610 3.560 535 HG12 VAL 97 2HG1 VAL 97 -3.438 1.863 2.053 536 HG13 VAL 97 3HG1 VAL 97 -4.999 1.388 2.698 537 HG21 VAL 97 3HG2 VAL 97 -2.634 -1.388 3.177 538 HG22 VAL 97 1HG2 VAL 97 -4.375 -1.220 3.127 539 HG23 VAL 97 2HG2 VAL 97 -3.352 -0.474 1.868 540 H VAL 98 H VAL 98 -0.040 2.772 4.229 541 HA VAL 98 HA VAL 98 -1.551 4.425 6.122 542 HB VAL 98 HB VAL 98 -0.429 2.191 7.088 543 HG11 VAL 98 1HG1 VAL 98 1.995 3.788 7.710 544 HG12 VAL 98 2HG1 VAL 98 1.576 2.136 8.045 545 HG13 VAL 98 3HG1 VAL 98 1.892 2.581 6.380 546 HG21 VAL 98 3HG2 VAL 98 -0.545 3.134 9.229 547 HG22 VAL 98 1HG2 VAL 98 -0.673 4.769 8.511 548 HG23 VAL 98 2HG2 VAL 98 -1.898 3.507 8.137 549 H TYR 99 H TYR 99 1.198 5.173 7.127 550 HA TYR 99 HA TYR 99 2.142 6.965 4.921 551 HD1 TYR 99 HD2 TYR 99 0.061 7.905 5.290 552 HD2 TYR 99 HD1 TYR 99 1.818 9.435 8.925 553 HE1 TYR 99 HE2 TYR 99 -1.794 9.519 5.519 554 HE2 TYR 99 HE1 TYR 99 -0.012 11.099 9.097 555 HH TYR 99 HH TYR 99 -1.967 11.884 8.208 556 HB2 TYR 99 2HB TYR 99 2.486 7.181 7.951 557 HB3 TYR 99 3HB TYR 99 3.142 8.270 6.741 558 H SER 100 H SER 100 2.844 4.370 4.557 559 HA SER 100 HA SER 100 4.444 2.892 5.894 560 HG SER 100 HG SER 100 6.021 1.177 3.475 561 HB2 SER 100 2HB SER 100 3.887 2.270 3.641 562 HB3 SER 100 3HB SER 100 5.252 3.219 3.104 563 H LYS 101 H LYS 101 6.052 3.140 7.230 564 HA LYS 101 HA LYS 101 7.691 5.454 7.357 565 HB2 LYS 101 2HB LYS 101 8.428 4.562 9.477 566 HB3 LYS 101 3HB LYS 101 6.697 4.403 9.316 567 HG2 LYS 101 2HG LYS 101 8.214 1.979 8.444 568 HG3 LYS 101 3HG LYS 101 8.454 2.426 10.131 569 HD2 LYS 101 2HD LYS 101 6.012 2.397 10.513 570 HD3 LYS 101 3HD LYS 101 5.744 1.920 8.821 571 HE2 LYS 101 2HE LYS 101 7.064 -0.125 9.157 572 HE3 LYS 101 3HE LYS 101 7.450 0.356 10.813 573 HZ1 LYS 101 3HZ LYS 101 5.573 -1.236 10.689 574 HZ2 LYS 101 1HZ LYS 101 5.108 0.174 11.374 575 HZ3 LYS 101 2HZ LYS 101 4.688 -0.162 9.833 576 H LEU 102 H LEU 102 8.474 4.238 4.979 577 HA LEU 102 HA LEU 102 11.364 3.933 5.500 578 HG LEU 102 HG LEU 102 8.610 1.579 4.579 579 HB2 LEU 102 2HB LEU 102 11.454 2.177 3.642 580 HB3 LEU 102 3HB LEU 102 10.960 1.717 5.259 581 HD11 LEU 102 1HD1 LEU 102 8.083 1.536 2.098 582 HD12 LEU 102 2HD1 LEU 102 8.352 3.137 2.776 583 HD13 LEU 102 3HD1 LEU 102 9.637 2.346 1.814 584 HD21 LEU 102 3HD2 LEU 102 10.105 -0.376 4.419 585 HD22 LEU 102 1HD2 LEU 102 8.827 -0.416 3.198 586 HD23 LEU 102 2HD2 LEU 102 10.477 0.048 2.731 587 HA PRO 103 HA PRO 103 11.669 6.852 2.150 588 HB2 PRO 103 2HB PRO 103 14.345 6.914 1.756 589 HB3 PRO 103 3HB PRO 103 13.639 7.371 3.331 590 HG2 PRO 103 2HG PRO 103 14.774 4.664 2.525 591 HG3 PRO 103 3HG PRO 103 15.211 5.660 3.954 592 HD2 PRO 103 2HD PRO 103 13.349 3.656 4.077 593 HD3 PRO 103 3HD PRO 103 13.199 5.153 5.046 594 H ALA 104 H ALA 104 12.977 7.017 -0.003 595 HA ALA 104 HA ALA 104 13.319 6.506 -2.141 596 HB1 ALA 104 1HB ALA 104 13.707 3.622 -1.288 597 HB2 ALA 104 2HB ALA 104 14.952 4.891 -1.222 598 HB3 ALA 104 3HB ALA 104 14.269 4.383 -2.777 Start of MODEL 5 1 H GLU 28 H GLU 28 7.527 14.973 7.966 2 HA GLU 28 HA GLU 28 6.683 14.393 10.142 3 HB2 GLU 28 2HB GLU 28 4.631 12.749 10.030 4 HB3 GLU 28 3HB GLU 28 4.466 14.465 10.294 5 HG2 GLU 28 2HG GLU 28 2.752 13.487 8.769 6 HG3 GLU 28 3HG GLU 28 3.621 14.870 8.109 7 H LEU 29 H LEU 29 5.828 12.010 7.605 8 HA LEU 29 HA LEU 29 8.000 10.162 8.470 9 HG LEU 29 HG LEU 29 5.128 7.536 8.779 10 HB2 LEU 29 2HB LEU 29 5.722 9.922 9.666 11 HB3 LEU 29 3HB LEU 29 5.009 9.620 8.127 12 HD11 LEU 29 1HD1 LEU 29 7.031 6.208 8.049 13 HD12 LEU 29 2HD1 LEU 29 6.629 7.416 6.845 14 HD13 LEU 29 3HD1 LEU 29 8.046 7.657 7.913 15 HD21 LEU 29 3HD2 LEU 29 6.704 6.564 10.378 16 HD22 LEU 29 1HD2 LEU 29 7.616 8.097 10.414 17 HD23 LEU 29 2HD2 LEU 29 5.931 8.026 10.999 18 H SER 30 H SER 30 5.241 10.668 6.280 19 HA SER 30 HA SER 30 6.666 10.637 3.810 20 HG SER 30 HG SER 30 7.798 8.573 4.660 21 HB2 SER 30 2HB SER 30 5.442 7.982 4.656 22 HB3 SER 30 3HB SER 30 5.555 8.436 2.951 23 H ASN 31 H ASN 31 3.734 10.714 5.601 24 HA ASN 31 HA ASN 31 1.595 10.922 5.248 25 HB2 ASN 31 2HB ASN 31 0.929 12.996 4.158 26 HB3 ASN 31 3HB ASN 31 2.209 13.127 5.323 27 HD21 ASN 31 2HD2 ASN 31 4.352 13.712 4.606 28 HD22 ASN 31 1HD2 ASN 31 4.562 14.413 2.993 29 H THR 32 H THR 32 2.891 9.545 2.428 30 HA THR 32 HA THR 32 0.136 9.162 1.341 31 HB THR 32 HB THR 32 0.769 9.710 -0.796 32 HG1 THR 32 1HG THR 32 2.781 10.034 -1.480 33 HG21 THR 32 1HG2 THR 32 0.588 11.742 0.706 34 HG22 THR 32 2HG2 THR 32 2.374 11.740 0.733 35 HG23 THR 32 3HG2 THR 32 1.504 11.962 -0.787 36 H ARG 33 H ARG 33 1.765 6.920 2.764 37 HA ARG 33 HA ARG 33 2.388 5.274 0.323 38 HE ARG 33 HE ARG 33 6.926 6.655 -0.889 39 HB2 ARG 33 2HB ARG 33 4.193 5.710 2.684 40 HB3 ARG 33 3HB ARG 33 4.287 4.305 1.576 41 HG2 ARG 33 2HG ARG 33 4.795 5.451 -0.215 42 HG3 ARG 33 3HG ARG 33 4.517 7.063 0.555 43 HD2 ARG 33 2HD ARG 33 6.540 7.006 1.654 44 HD3 ARG 33 3HD ARG 33 6.581 5.234 1.727 45 HH11 ARG 33 2HH2 ARG 33 8.474 4.463 1.432 46 HH12 ARG 33 1HH2 ARG 33 9.513 3.868 0.156 47 HH21 ARG 33 1HH1 ARG 33 8.250 5.874 -2.265 48 HH22 ARG 33 2HH1 ARG 33 9.473 4.663 -1.814 49 H LEU 34 H LEU 34 1.788 3.351 0.223 50 HA LEU 34 HA LEU 34 0.475 2.224 2.605 51 HG LEU 34 HG LEU 34 -2.211 2.964 0.037 52 HB2 LEU 34 2HB LEU 34 -0.138 1.438 -0.174 53 HB3 LEU 34 3HB LEU 34 -1.157 1.276 1.204 54 HD11 LEU 34 1HD1 LEU 34 -2.246 4.883 1.279 55 HD12 LEU 34 2HD1 LEU 34 -1.554 3.752 2.412 56 HD13 LEU 34 3HD1 LEU 34 -0.521 4.923 1.565 57 HD21 LEU 34 3HD2 LEU 34 0.450 3.635 -1.006 58 HD22 LEU 34 1HD2 LEU 34 -1.105 3.613 -1.786 59 HD23 LEU 34 2HD2 LEU 34 -0.613 5.007 -0.812 60 H PHE 35 H PHE 35 1.241 0.536 3.550 61 HA PHE 35 HA PHE 35 3.481 -0.949 2.313 62 HD1 PHE 35 HD1 PHE 35 5.147 -2.388 3.364 63 HD2 PHE 35 HD2 PHE 35 3.870 -0.556 7.051 64 HE1 PHE 35 HE1 PHE 35 6.583 -3.953 4.633 65 HE2 PHE 35 HE2 PHE 35 5.297 -2.138 8.327 66 HZ PHE 35 HZ PHE 35 6.666 -3.832 7.124 67 HB2 PHE 35 2HB PHE 35 4.295 0.329 3.922 68 HB3 PHE 35 3HB PHE 35 3.069 0.367 4.984 69 H VAL 36 H VAL 36 2.630 -2.500 1.404 70 HA VAL 36 HA VAL 36 0.320 -4.036 2.535 71 HB VAL 36 HB VAL 36 0.962 -2.647 -0.046 72 HG11 VAL 36 1HG1 VAL 36 -1.380 -4.445 0.113 73 HG12 VAL 36 2HG1 VAL 36 -0.947 -3.255 -1.130 74 HG13 VAL 36 3HG1 VAL 36 0.098 -4.647 -0.908 75 HG21 VAL 36 3HG2 VAL 36 -0.273 -1.413 1.797 76 HG22 VAL 36 1HG2 VAL 36 -1.324 -1.629 0.427 77 HG23 VAL 36 2HG2 VAL 36 -1.500 -2.706 1.801 78 H ARG 37 H ARG 37 1.453 -5.595 3.318 79 HA ARG 37 HA ARG 37 3.265 -7.237 1.623 80 HE ARG 37 HE ARG 37 1.799 -7.550 7.214 81 HB2 ARG 37 2HB ARG 37 4.735 -7.334 3.640 82 HB3 ARG 37 3HB ARG 37 4.492 -5.734 2.990 83 HG2 ARG 37 2HG ARG 37 4.415 -5.396 5.257 84 HG3 ARG 37 3HG ARG 37 2.708 -5.431 4.852 85 HD2 ARG 37 2HD ARG 37 3.056 -8.039 5.393 86 HD3 ARG 37 3HD ARG 37 4.408 -7.455 6.328 87 HH11 ARG 37 1HH1 ARG 37 4.190 -4.972 7.279 88 HH12 ARG 37 2HH1 ARG 37 3.194 -4.053 8.411 89 HH21 ARG 37 2HH2 ARG 37 0.483 -5.992 8.308 90 HH22 ARG 37 1HH2 ARG 37 1.361 -4.615 8.984 91 HA PRO 38 HA PRO 38 0.978 -10.349 4.609 92 HB2 PRO 38 2HB PRO 38 -1.533 -9.958 2.970 93 HB3 PRO 38 3HB PRO 38 -1.363 -10.508 4.649 94 HG2 PRO 38 2HG PRO 38 -2.150 -8.048 4.128 95 HG3 PRO 38 3HG PRO 38 -0.931 -8.269 5.397 96 HD2 PRO 38 2HD PRO 38 -0.449 -7.392 2.576 97 HD3 PRO 38 3HD PRO 38 0.289 -6.833 4.109 98 H PHE 39 H PHE 39 0.878 -9.748 1.178 99 HA PHE 39 HA PHE 39 -0.183 -12.293 0.366 100 HD1 PHE 39 HD2 PHE 39 1.283 -8.390 -0.161 101 HD2 PHE 39 HD1 PHE 39 -2.244 -10.457 -1.512 102 HE1 PHE 39 HE2 PHE 39 -0.108 -6.406 0.345 103 HE2 PHE 39 HE1 PHE 39 -3.568 -8.353 -1.272 104 HZ PHE 39 HZ PHE 39 -2.511 -6.336 -0.330 105 HB2 PHE 39 2HB PHE 39 1.372 -10.503 -1.494 106 HB3 PHE 39 3HB PHE 39 -0.073 -11.436 -1.799 107 HA PRO 40 HA PRO 40 3.792 -14.054 -0.675 108 HB2 PRO 40 2HB PRO 40 3.128 -16.052 -2.475 109 HB3 PRO 40 3HB PRO 40 2.649 -16.153 -0.753 110 HG2 PRO 40 2HG PRO 40 0.989 -15.110 -3.078 111 HG3 PRO 40 3HG PRO 40 0.515 -16.322 -1.846 112 HD2 PRO 40 2HD PRO 40 -0.121 -13.659 -1.671 113 HD3 PRO 40 3HD PRO 40 0.208 -14.656 -0.224 114 H LEU 41 H LEU 41 4.966 -14.716 -2.919 115 HA LEU 41 HA LEU 41 5.570 -12.365 -4.324 116 HG LEU 41 HG LEU 41 7.975 -13.056 -4.502 117 HB2 LEU 41 2HB LEU 41 5.968 -15.319 -4.896 118 HB3 LEU 41 3HB LEU 41 6.452 -14.110 -6.072 119 HD11 LEU 41 1HD1 LEU 41 8.621 -14.195 -2.388 120 HD12 LEU 41 2HD1 LEU 41 6.984 -13.549 -2.311 121 HD13 LEU 41 3HD1 LEU 41 7.238 -15.293 -2.567 122 HD21 LEU 41 3HD2 LEU 41 9.653 -14.843 -4.448 123 HD22 LEU 41 1HD2 LEU 41 8.385 -16.062 -4.709 124 HD23 LEU 41 2HD2 LEU 41 8.759 -14.865 -5.969 125 H ASP 42 H ASP 42 2.908 -14.490 -4.902 126 HA ASP 42 HA ASP 42 2.237 -13.942 -7.570 127 HB2 ASP 42 2HB ASP 42 0.357 -14.467 -5.245 128 HB3 ASP 42 3HB ASP 42 0.034 -14.748 -6.949 129 H VAL 43 H VAL 43 1.857 -11.686 -4.824 130 HA VAL 43 HA VAL 43 -0.273 -10.156 -6.099 131 HB VAL 43 HB VAL 43 0.174 -10.037 -3.675 132 HG11 VAL 43 1HG1 VAL 43 1.876 -8.525 -2.797 133 HG12 VAL 43 2HG1 VAL 43 2.663 -9.772 -3.795 134 HG13 VAL 43 3HG1 VAL 43 2.429 -8.136 -4.439 135 HG21 VAL 43 3HG2 VAL 43 -1.258 -8.375 -4.843 136 HG22 VAL 43 1HG2 VAL 43 -0.433 -7.693 -3.437 137 HG23 VAL 43 2HG2 VAL 43 0.140 -7.311 -5.065 138 H GLN 44 H GLN 44 -0.169 -8.227 -7.233 139 HA GLN 44 HA GLN 44 2.421 -7.285 -8.339 140 HB2 GLN 44 2HB GLN 44 0.146 -8.409 -10.035 141 HB3 GLN 44 3HB GLN 44 1.550 -7.603 -10.687 142 HG2 GLN 44 2HG GLN 44 2.968 -9.394 -10.373 143 HG3 GLN 44 3HG GLN 44 2.004 -10.109 -9.087 144 HE21 GLN 44 2HE2 GLN 44 -0.227 -10.815 -9.660 145 HE22 GLN 44 1HE2 GLN 44 -0.388 -11.687 -11.195 146 H GLU 45 H GLU 45 2.006 -5.523 -9.922 147 HA GLU 45 HA GLU 45 0.447 -3.366 -9.049 148 HB2 GLU 45 2HB GLU 45 2.292 -3.261 -10.695 149 HB3 GLU 45 3HB GLU 45 1.363 -4.235 -11.829 150 HG2 GLU 45 2HG GLU 45 1.318 -1.998 -12.592 151 HG3 GLU 45 3HG GLU 45 -0.302 -2.393 -12.037 152 H SER 46 H SER 46 -0.647 -6.121 -11.129 153 HA SER 46 HA SER 46 -3.154 -4.927 -11.827 154 HG SER 46 HG SER 46 -2.300 -8.570 -11.115 155 HB2 SER 46 2HB SER 46 -3.767 -7.416 -12.242 156 HB3 SER 46 3HB SER 46 -2.470 -6.674 -13.190 157 H GLU 47 H GLU 47 -2.174 -6.647 -8.817 158 HA GLU 47 HA GLU 47 -4.948 -7.208 -7.986 159 HB2 GLU 47 2HB GLU 47 -2.095 -7.724 -7.022 160 HB3 GLU 47 3HB GLU 47 -3.434 -7.917 -5.953 161 HG2 GLU 47 2HG GLU 47 -3.144 -10.035 -6.790 162 HG3 GLU 47 3HG GLU 47 -4.488 -9.463 -7.784 163 H LEU 48 H LEU 48 -2.140 -5.154 -7.344 164 HA LEU 48 HA LEU 48 -3.313 -3.515 -5.296 165 HG LEU 48 HG LEU 48 -0.790 -4.951 -5.622 166 HB2 LEU 48 2HB LEU 48 -1.173 -2.982 -7.388 167 HB3 LEU 48 3HB LEU 48 -1.480 -2.004 -6.036 168 HD11 LEU 48 1HD1 LEU 48 1.210 -2.690 -5.736 169 HD12 LEU 48 2HD1 LEU 48 1.504 -4.428 -5.473 170 HD13 LEU 48 3HD1 LEU 48 0.929 -3.857 -7.043 171 HD21 LEU 48 3HD2 LEU 48 -1.555 -3.767 -3.700 172 HD22 LEU 48 1HD2 LEU 48 0.177 -4.068 -3.588 173 HD23 LEU 48 2HD2 LEU 48 -0.395 -2.414 -4.028 174 H ASN 49 H ASN 49 -3.312 -3.434 -8.881 175 HA ASN 49 HA ASN 49 -4.905 -1.020 -9.091 176 HB2 ASN 49 2HB ASN 49 -4.275 -3.244 -10.987 177 HB3 ASN 49 3HB ASN 49 -5.744 -2.341 -11.302 178 HD21 ASN 49 2HD2 ASN 49 -2.269 -1.800 -10.602 179 HD22 ASN 49 1HD2 ASN 49 -2.161 -0.391 -11.640 180 H GLU 50 H GLU 50 -5.995 -4.441 -8.822 181 HA GLU 50 HA GLU 50 -8.801 -3.919 -8.832 182 HB2 GLU 50 2HB GLU 50 -7.050 -6.014 -7.577 183 HB3 GLU 50 3HB GLU 50 -8.773 -5.984 -7.215 184 HG2 GLU 50 2HG GLU 50 -9.261 -6.115 -9.659 185 HG3 GLU 50 3HG GLU 50 -7.533 -6.188 -10.003 186 H ILE 51 H ILE 51 -6.501 -3.796 -6.104 187 HA ILE 51 HA ILE 51 -8.605 -3.260 -4.140 188 HB ILE 51 HB ILE 51 -5.612 -3.465 -4.112 189 HG12 ILE 51 2HG1 ILE 51 -7.650 -5.317 -2.813 190 HG13 ILE 51 3HG1 ILE 51 -7.026 -5.547 -4.441 191 HG21 ILE 51 1HG2 ILE 51 -7.442 -3.014 -1.709 192 HG22 ILE 51 2HG2 ILE 51 -5.725 -3.463 -1.587 193 HG23 ILE 51 3HG2 ILE 51 -6.170 -1.907 -2.271 194 HD11 ILE 51 3HD1 ILE 51 -5.726 -6.961 -3.064 195 HD12 ILE 51 1HD1 ILE 51 -4.675 -5.601 -3.473 196 HD13 ILE 51 2HD1 ILE 51 -5.428 -5.689 -1.868 197 H PHE 52 H PHE 52 -6.034 -1.297 -5.648 198 HA PHE 52 HA PHE 52 -6.579 1.040 -3.983 199 HD1 PHE 52 HD2 PHE 52 -4.373 -1.706 -4.258 200 HD2 PHE 52 HD1 PHE 52 -3.583 2.354 -3.078 201 HE1 PHE 52 HE2 PHE 52 -2.806 -2.525 -2.560 202 HE2 PHE 52 HE1 PHE 52 -1.862 1.519 -1.532 203 HZ PHE 52 HZ PHE 52 -1.322 -0.896 -1.436 204 HB2 PHE 52 2HB PHE 52 -4.450 0.440 -5.939 205 HB3 PHE 52 3HB PHE 52 -4.631 1.969 -5.118 206 H GLY 53 H GLY 53 -7.107 -0.051 -7.295 207 HA2 GLY 53 2HA GLY 53 -7.489 2.246 -8.795 208 HA3 GLY 53 3HA GLY 53 -8.449 0.773 -8.929 209 HA PRO 54 HA PRO 54 -11.979 2.777 -6.917 210 HB2 PRO 54 2HB PRO 54 -11.434 1.980 -4.080 211 HB3 PRO 54 3HB PRO 54 -12.929 1.776 -5.037 212 HG2 PRO 54 2HG PRO 54 -11.319 -0.344 -4.537 213 HG3 PRO 54 3HG PRO 54 -11.998 -0.119 -6.189 214 HD2 PRO 54 2HD PRO 54 -9.313 0.795 -5.135 215 HD3 PRO 54 3HD PRO 54 -9.590 -0.244 -6.549 216 H PHE 55 H PHE 55 -8.909 3.371 -5.222 217 HA PHE 55 HA PHE 55 -9.833 5.729 -3.789 218 HD1 PHE 55 HD1 PHE 55 -9.841 3.641 -2.627 219 HD2 PHE 55 HD2 PHE 55 -5.556 3.689 -3.026 220 HE1 PHE 55 HE1 PHE 55 -9.723 1.437 -1.513 221 HE2 PHE 55 HE2 PHE 55 -5.438 1.629 -1.560 222 HZ PHE 55 HZ PHE 55 -7.538 0.465 -0.939 223 HB2 PHE 55 2HB PHE 55 -6.946 5.014 -4.378 224 HB3 PHE 55 3HB PHE 55 -7.572 5.964 -3.075 225 H GLY 56 H GLY 56 -7.908 4.984 -6.617 226 HA2 GLY 56 2HA GLY 56 -8.093 6.183 -8.612 227 HA3 GLY 56 3HA GLY 56 -8.327 7.684 -7.715 228 HA PRO 57 HA PRO 57 -4.106 8.636 -8.383 229 HB2 PRO 57 2HB PRO 57 -3.914 9.668 -5.542 230 HB3 PRO 57 3HB PRO 57 -3.466 10.476 -7.083 231 HG2 PRO 57 2HG PRO 57 -5.795 11.097 -5.930 232 HG3 PRO 57 3HG PRO 57 -5.799 10.713 -7.677 233 HD2 PRO 57 2HD PRO 57 -6.372 8.807 -5.365 234 HD3 PRO 57 3HD PRO 57 -7.412 9.209 -6.762 235 H MET 58 H MET 58 -4.078 5.885 -7.663 236 HA MET 58 HA MET 58 -1.770 5.162 -6.007 237 HB2 MET 58 2HB MET 58 -1.841 3.085 -7.095 238 HB3 MET 58 3HB MET 58 -3.363 3.517 -6.291 239 HG2 MET 58 2HG MET 58 -4.330 4.152 -8.476 240 HG3 MET 58 3HG MET 58 -2.848 3.637 -9.279 241 HE1 MET 58 3HE MET 58 -2.650 1.040 -6.877 242 HE2 MET 58 1HE MET 58 -3.001 -0.252 -8.042 243 HE3 MET 58 2HE MET 58 -1.878 1.048 -8.489 244 H LYS 59 H LYS 59 -0.644 6.996 -6.748 245 HA LYS 59 HA LYS 59 0.338 7.437 -9.274 246 HB2 LYS 59 2HB LYS 59 -0.146 8.897 -7.288 247 HB3 LYS 59 3HB LYS 59 1.286 8.241 -6.502 248 HG2 LYS 59 2HG LYS 59 1.531 9.700 -9.110 249 HG3 LYS 59 3HG LYS 59 1.156 10.545 -7.627 250 HD2 LYS 59 2HD LYS 59 3.671 9.028 -8.234 251 HD3 LYS 59 3HD LYS 59 3.363 10.730 -7.876 252 HE2 LYS 59 2HE LYS 59 2.937 10.309 -5.569 253 HE3 LYS 59 3HE LYS 59 3.183 8.557 -5.813 254 HZ1 LYS 59 3HZ LYS 59 5.229 10.679 -6.172 255 HZ2 LYS 59 1HZ LYS 59 5.267 9.464 -5.070 256 HZ3 LYS 59 2HZ LYS 59 5.455 9.137 -6.654 257 H GLU 60 H GLU 60 1.854 5.609 -6.610 258 HA GLU 60 HA GLU 60 3.740 4.459 -8.481 259 HB2 GLU 60 2HB GLU 60 4.607 6.595 -6.616 260 HB3 GLU 60 3HB GLU 60 5.493 5.093 -6.351 261 HG2 GLU 60 2HG GLU 60 6.282 5.022 -8.606 262 HG3 GLU 60 3HG GLU 60 5.190 6.300 -9.128 263 H VAL 61 H VAL 61 4.906 2.741 -7.874 264 HA VAL 61 HA VAL 61 3.678 1.094 -5.734 265 HB VAL 61 HB VAL 61 3.396 0.291 -8.667 266 HG11 VAL 61 1HG1 VAL 61 1.576 -0.424 -6.371 267 HG12 VAL 61 2HG1 VAL 61 1.820 -1.260 -7.905 268 HG13 VAL 61 3HG1 VAL 61 3.091 -1.303 -6.661 269 HG21 VAL 61 3HG2 VAL 61 2.105 2.295 -8.755 270 HG22 VAL 61 1HG2 VAL 61 0.989 0.950 -8.627 271 HG23 VAL 61 2HG2 VAL 61 1.298 1.930 -7.214 272 H LYS 62 H LYS 62 5.722 0.809 -4.873 273 HA LYS 62 HA LYS 62 7.747 -0.602 -6.500 274 HB2 LYS 62 2HB LYS 62 7.516 -0.689 -3.484 275 HB3 LYS 62 3HB LYS 62 8.910 -1.017 -4.511 276 HG2 LYS 62 2HG LYS 62 8.786 1.498 -5.157 277 HG3 LYS 62 3HG LYS 62 7.707 1.656 -3.769 278 HD2 LYS 62 2HD LYS 62 10.659 1.132 -3.869 279 HD3 LYS 62 3HD LYS 62 9.731 2.173 -2.794 280 HE2 LYS 62 2HE LYS 62 8.864 -0.026 -1.714 281 HE3 LYS 62 3HE LYS 62 10.119 -0.848 -2.656 282 HZ1 LYS 62 3HZ LYS 62 10.584 1.307 -0.670 283 HZ2 LYS 62 1HZ LYS 62 10.908 -0.294 -0.427 284 HZ3 LYS 62 2HZ LYS 62 11.750 0.624 -1.507 285 H ILE 63 H ILE 63 7.883 -2.742 -6.633 286 HA ILE 63 HA ILE 63 5.986 -4.536 -5.209 287 HB ILE 63 HB ILE 63 6.821 -4.920 -8.114 288 HG12 ILE 63 2HG1 ILE 63 5.311 -2.967 -8.079 289 HG13 ILE 63 3HG1 ILE 63 4.755 -4.333 -9.020 290 HG21 ILE 63 1HG2 ILE 63 4.992 -6.644 -8.152 291 HG22 ILE 63 2HG2 ILE 63 6.319 -7.029 -7.059 292 HG23 ILE 63 3HG2 ILE 63 4.797 -6.406 -6.400 293 HD11 ILE 63 3HD1 ILE 63 2.910 -3.326 -7.840 294 HD12 ILE 63 1HD1 ILE 63 3.146 -4.957 -7.239 295 HD13 ILE 63 2HD1 ILE 63 3.694 -3.578 -6.257 296 H LEU 64 H LEU 64 6.881 -6.095 -4.259 297 HA LEU 64 HA LEU 64 9.686 -7.013 -4.787 298 HG LEU 64 HG LEU 64 9.900 -4.630 -1.748 299 HB2 LEU 64 2HB LEU 64 8.502 -6.461 -2.122 300 HB3 LEU 64 3HB LEU 64 10.134 -6.873 -2.474 301 HD11 LEU 64 1HD1 LEU 64 11.335 -3.549 -3.354 302 HD12 LEU 64 2HD1 LEU 64 11.771 -5.261 -3.161 303 HD13 LEU 64 3HD1 LEU 64 10.846 -4.731 -4.593 304 HD21 LEU 64 3HD2 LEU 64 7.723 -3.999 -2.877 305 HD22 LEU 64 1HD2 LEU 64 9.035 -2.813 -2.638 306 HD23 LEU 64 2HD2 LEU 64 8.805 -3.501 -4.222 307 H ASN 65 H ASN 65 10.120 -8.968 -3.471 308 HA ASN 65 HA ASN 65 8.491 -11.196 -3.559 309 HB2 ASN 65 2HB ASN 65 9.776 -11.716 -1.298 310 HB3 ASN 65 3HB ASN 65 10.584 -11.743 -2.860 311 HD21 ASN 65 2HD2 ASN 65 9.706 -9.308 -0.346 312 HD22 ASN 65 1HD2 ASN 65 11.303 -8.546 -0.311 313 H GLY 66 H GLY 66 6.295 -10.956 -3.073 314 HA2 GLY 66 2HA GLY 66 4.482 -11.213 -1.613 315 HA3 GLY 66 3HA GLY 66 5.640 -11.224 -0.281 316 H PHE 67 H PHE 67 6.386 -8.420 -1.819 317 HA PHE 67 HA PHE 67 4.552 -6.855 -0.020 318 HD1 PHE 67 HD1 PHE 67 5.317 -8.332 1.705 319 HD2 PHE 67 HD2 PHE 67 9.195 -6.570 1.072 320 HE1 PHE 67 HE1 PHE 67 6.209 -9.678 3.556 321 HE2 PHE 67 HE2 PHE 67 10.126 -7.998 2.869 322 HZ PHE 67 HZ PHE 67 8.643 -9.553 4.125 323 HB2 PHE 67 2HB PHE 67 7.432 -6.169 -0.473 324 HB3 PHE 67 3HB PHE 67 6.366 -5.474 0.656 325 H ALA 68 H ALA 68 3.916 -4.924 -0.559 326 HA ALA 68 HA ALA 68 4.715 -3.587 -3.124 327 HB1 ALA 68 1HB ALA 68 2.560 -4.759 -3.389 328 HB2 ALA 68 2HB ALA 68 1.930 -3.870 -1.986 329 HB3 ALA 68 3HB ALA 68 2.416 -2.985 -3.446 330 H PHE 69 H PHE 69 5.145 -1.545 -2.857 331 HA PHE 69 HA PHE 69 4.246 -0.163 -0.388 332 HD1 PHE 69 HD1 PHE 69 7.278 -2.175 -1.553 333 HD2 PHE 69 HD2 PHE 69 6.791 0.244 1.948 334 HE1 PHE 69 HE1 PHE 69 8.320 -3.988 -0.223 335 HE2 PHE 69 HE2 PHE 69 7.822 -1.574 3.321 336 HZ PHE 69 HZ PHE 69 8.540 -3.710 2.233 337 HB2 PHE 69 2HB PHE 69 6.957 0.403 -1.606 338 HB3 PHE 69 3HB PHE 69 6.257 1.133 -0.182 339 H VAL 70 H VAL 70 2.572 0.585 -1.371 340 HA VAL 70 HA VAL 70 2.750 1.971 -3.961 341 HB VAL 70 HB VAL 70 0.273 1.712 -2.252 342 HG11 VAL 70 1HG1 VAL 70 0.089 3.017 -4.439 343 HG12 VAL 70 2HG1 VAL 70 0.620 1.485 -5.234 344 HG13 VAL 70 3HG1 VAL 70 -0.899 1.517 -4.355 345 HG21 VAL 70 3HG2 VAL 70 -0.223 -0.300 -3.704 346 HG22 VAL 70 1HG2 VAL 70 1.494 -0.217 -4.206 347 HG23 VAL 70 2HG2 VAL 70 1.044 -0.567 -2.481 348 H GLU 71 H GLU 71 2.035 4.148 -4.184 349 HA GLU 71 HA GLU 71 2.469 5.935 -1.839 350 HB2 GLU 71 2HB GLU 71 4.687 5.225 -2.918 351 HB3 GLU 71 3HB GLU 71 4.129 6.002 -4.404 352 HG2 GLU 71 2HG GLU 71 3.868 8.152 -3.220 353 HG3 GLU 71 3HG GLU 71 4.382 7.394 -1.709 354 H PHE 72 H PHE 72 1.563 7.944 -2.186 355 HA PHE 72 HA PHE 72 0.228 8.483 -4.823 356 HD1 PHE 72 HD1 PHE 72 -1.342 6.519 -4.615 357 HD2 PHE 72 HD2 PHE 72 -1.958 7.974 -0.635 358 HE1 PHE 72 HE1 PHE 72 -2.754 4.528 -4.124 359 HE2 PHE 72 HE2 PHE 72 -3.380 5.988 -0.155 360 HZ PHE 72 HZ PHE 72 -3.795 4.294 -1.874 361 HB2 PHE 72 2HB PHE 72 -0.854 9.331 -2.132 362 HB3 PHE 72 3HB PHE 72 -1.666 9.270 -3.672 363 H GLU 73 H GLU 73 -0.374 10.663 -5.231 364 HA GLU 73 HA GLU 73 1.712 12.582 -4.365 365 HB2 GLU 73 2HB GLU 73 0.892 14.002 -6.168 366 HB3 GLU 73 3HB GLU 73 1.447 12.421 -6.687 367 HG2 GLU 73 2HG GLU 73 -1.001 11.673 -6.756 368 HG3 GLU 73 3HG GLU 73 -1.459 13.324 -6.345 369 H GLU 74 H GLU 74 -1.393 11.676 -3.353 370 HA GLU 74 HA GLU 74 -1.779 14.268 -1.942 371 HB2 GLU 74 2HB GLU 74 -4.208 13.933 -2.012 372 HB3 GLU 74 3HB GLU 74 -3.489 14.326 -3.566 373 HG2 GLU 74 2HG GLU 74 -3.854 12.138 -4.425 374 HG3 GLU 74 3HG GLU 74 -4.136 11.468 -2.829 375 H ALA 75 H ALA 75 -1.778 14.134 0.170 376 HA ALA 75 HA ALA 75 -1.712 11.713 1.686 377 HB1 ALA 75 1HB ALA 75 -1.993 13.212 3.606 378 HB2 ALA 75 2HB ALA 75 -0.818 13.886 2.463 379 HB3 ALA 75 3HB ALA 75 -2.473 14.542 2.531 380 H GLU 76 H GLU 76 -4.407 13.589 0.421 381 HA GLU 76 HA GLU 76 -6.507 12.410 1.986 382 HB2 GLU 76 2HB GLU 76 -6.646 13.425 -0.871 383 HB3 GLU 76 3HB GLU 76 -7.995 13.206 0.238 384 HG2 GLU 76 2HG GLU 76 -5.747 15.248 0.411 385 HG3 GLU 76 3HG GLU 76 -7.456 15.556 0.125 386 H SER 77 H SER 77 -4.681 11.140 -0.803 387 HA SER 77 HA SER 77 -6.519 8.869 -1.049 388 HG SER 77 HG SER 77 -4.350 6.996 -2.488 389 HB2 SER 77 2HB SER 77 -5.184 9.554 -2.998 390 HB3 SER 77 3HB SER 77 -3.719 9.061 -2.179 391 H ALA 78 H ALA 78 -3.551 9.552 0.764 392 HA ALA 78 HA ALA 78 -3.411 6.835 1.758 393 HB1 ALA 78 1HB ALA 78 -1.546 8.187 1.824 394 HB2 ALA 78 2HB ALA 78 -2.333 9.452 2.794 395 HB3 ALA 78 3HB ALA 78 -1.986 7.842 3.508 396 H ALA 79 H ALA 79 -4.993 9.791 3.133 397 HA ALA 79 HA ALA 79 -6.313 8.600 5.308 398 HB1 ALA 79 1HB ALA 79 -7.394 10.738 3.435 399 HB2 ALA 79 2HB ALA 79 -7.919 10.412 5.093 400 HB3 ALA 79 3HB ALA 79 -6.278 11.014 4.790 401 H LYS 80 H LYS 80 -7.626 8.797 1.922 402 HA LYS 80 HA LYS 80 -9.860 7.198 2.702 403 HB2 LYS 80 2HB LYS 80 -10.723 7.540 0.628 404 HB3 LYS 80 3HB LYS 80 -9.555 8.854 0.663 405 HG2 LYS 80 2HG LYS 80 -7.997 7.243 -0.652 406 HG3 LYS 80 3HG LYS 80 -9.392 6.202 -0.811 407 HD2 LYS 80 2HD LYS 80 -9.843 7.451 -2.699 408 HD3 LYS 80 3HD LYS 80 -10.493 8.648 -1.593 409 HE2 LYS 80 2HE LYS 80 -8.284 9.769 -1.506 410 HE3 LYS 80 3HE LYS 80 -7.604 8.504 -2.552 411 HZ1 LYS 80 3HZ LYS 80 -9.690 10.403 -3.424 412 HZ2 LYS 80 1HZ LYS 80 -8.082 10.517 -3.739 413 HZ3 LYS 80 2HZ LYS 80 -8.959 9.245 -4.341 414 H ALA 81 H ALA 81 -6.821 6.275 1.178 415 HA ALA 81 HA ALA 81 -7.432 3.571 0.607 416 HB1 ALA 81 1HB ALA 81 -4.757 4.754 1.389 417 HB2 ALA 81 2HB ALA 81 -5.041 3.198 0.577 418 HB3 ALA 81 3HB ALA 81 -5.467 4.695 -0.239 419 H ILE 82 H ILE 82 -6.114 5.173 3.584 420 HA ILE 82 HA ILE 82 -5.860 2.942 5.228 421 HB ILE 82 HB ILE 82 -6.608 5.774 5.947 422 HG12 ILE 82 2HG1 ILE 82 -3.971 4.561 6.722 423 HG13 ILE 82 3HG1 ILE 82 -4.164 4.995 5.048 424 HG21 ILE 82 1HG2 ILE 82 -5.770 3.614 7.919 425 HG22 ILE 82 2HG2 ILE 82 -6.010 5.325 8.287 426 HG23 ILE 82 3HG2 ILE 82 -7.385 4.349 7.805 427 HD11 ILE 82 3HD1 ILE 82 -4.486 6.833 7.454 428 HD12 ILE 82 1HD1 ILE 82 -3.237 6.905 6.178 429 HD13 ILE 82 2HD1 ILE 82 -4.934 7.266 5.806 430 H GLU 83 H GLU 83 -8.673 5.172 5.051 431 HA GLU 83 HA GLU 83 -10.332 3.532 6.699 432 HB2 GLU 83 2HB GLU 83 -11.032 5.645 4.642 433 HB3 GLU 83 3HB GLU 83 -12.190 4.927 5.775 434 HG2 GLU 83 2HG GLU 83 -9.685 6.500 6.553 435 HG3 GLU 83 3HG GLU 83 -11.338 7.095 6.570 436 H GLU 84 H GLU 84 -9.573 3.180 3.318 437 HA GLU 84 HA GLU 84 -11.851 1.444 2.646 438 HB2 GLU 84 2HB GLU 84 -9.262 2.200 1.246 439 HB3 GLU 84 3HB GLU 84 -10.369 1.016 0.588 440 HG2 GLU 84 2HG GLU 84 -11.409 3.761 1.267 441 HG3 GLU 84 3HG GLU 84 -10.453 3.536 -0.192 442 H VAL 85 H VAL 85 -8.374 0.936 3.413 443 HA VAL 85 HA VAL 85 -8.877 -1.991 3.694 444 HB VAL 85 HB VAL 85 -8.553 -1.555 1.369 445 HG11 VAL 85 1HG1 VAL 85 -6.287 -0.850 0.500 446 HG12 VAL 85 2HG1 VAL 85 -7.292 0.415 1.228 447 HG13 VAL 85 3HG1 VAL 85 -5.947 -0.257 2.135 448 HG21 VAL 85 3HG2 VAL 85 -6.059 -2.941 2.330 449 HG22 VAL 85 1HG2 VAL 85 -7.677 -3.683 2.343 450 HG23 VAL 85 2HG2 VAL 85 -6.933 -3.185 0.816 451 H HIS 86 H HIS 86 -7.138 0.634 5.065 452 HA HIS 86 HA HIS 86 -4.926 -0.937 6.125 453 HD1 HIS 86 HD1 HIS 86 -2.715 1.809 7.168 454 HD2 HIS 86 HD2 HIS 86 -5.388 -0.043 9.820 455 HE1 HIS 86 HE1 HIS 86 -1.386 1.328 9.301 456 HB2 HIS 86 2HB HIS 86 -5.042 1.529 6.217 457 HB3 HIS 86 3HB HIS 86 -6.309 1.424 7.444 458 H GLY 87 H GLY 87 -5.158 -2.731 7.366 459 HA2 GLY 87 2HA GLY 87 -5.363 -3.516 9.626 460 HA3 GLY 87 3HA GLY 87 -6.754 -2.459 9.883 461 H LYS 88 H LYS 88 -7.197 -3.636 6.907 462 HA LYS 88 HA LYS 88 -9.149 -5.743 7.540 463 HB2 LYS 88 2HB LYS 88 -8.105 -4.309 5.049 464 HB3 LYS 88 3HB LYS 88 -9.152 -5.644 4.967 465 HG2 LYS 88 2HG LYS 88 -10.449 -3.636 4.712 466 HG3 LYS 88 3HG LYS 88 -10.931 -4.395 6.225 467 HD2 LYS 88 2HD LYS 88 -9.848 -2.733 7.541 468 HD3 LYS 88 3HD LYS 88 -8.811 -2.247 6.203 469 HE2 LYS 88 2HE LYS 88 -10.872 -1.412 5.012 470 HE3 LYS 88 3HE LYS 88 -11.758 -1.650 6.519 471 HZ1 LYS 88 3HZ LYS 88 -10.938 0.628 6.319 472 HZ2 LYS 88 1HZ LYS 88 -10.180 -0.098 7.587 473 HZ3 LYS 88 2HZ LYS 88 -9.388 0.138 6.186 474 H SER 89 H SER 89 -8.786 -7.864 7.016 475 HA SER 89 HA SER 89 -5.964 -8.706 7.018 476 HG SER 89 HG SER 89 -8.934 -10.592 6.556 477 HB2 SER 89 2HB SER 89 -6.877 -10.894 7.663 478 HB3 SER 89 3HB SER 89 -7.399 -9.578 8.722 479 H PHE 90 H PHE 90 -5.013 -8.766 4.957 480 HA PHE 90 HA PHE 90 -6.467 -10.374 2.861 481 HD1 PHE 90 HD1 PHE 90 -3.847 -10.856 0.748 482 HD2 PHE 90 HD2 PHE 90 -6.730 -7.655 0.618 483 HE1 PHE 90 HE1 PHE 90 -4.546 -11.573 -1.524 484 HE2 PHE 90 HE2 PHE 90 -7.310 -8.269 -1.704 485 HZ PHE 90 HZ PHE 90 -6.293 -10.293 -2.729 486 HB2 PHE 90 2HB PHE 90 -5.636 -8.059 2.523 487 HB3 PHE 90 3HB PHE 90 -4.003 -8.627 2.574 488 H ALA 91 H ALA 91 -5.567 -12.233 2.033 489 HA ALA 91 HA ALA 91 -4.536 -14.207 1.944 490 HB1 ALA 91 1HB ALA 91 -2.055 -14.103 1.719 491 HB2 ALA 91 2HB ALA 91 -2.937 -12.921 0.742 492 HB3 ALA 91 3HB ALA 91 -2.123 -12.407 2.243 493 H ASN 92 H ASN 92 -2.768 -12.691 4.699 494 HA ASN 92 HA ASN 92 -3.481 -14.981 6.395 495 HB2 ASN 92 2HB ASN 92 -1.374 -15.766 6.851 496 HB3 ASN 92 3HB ASN 92 -1.196 -15.402 5.147 497 HD21 ASN 92 2HD2 ASN 92 0.197 -13.439 4.574 498 HD22 ASN 92 1HD2 ASN 92 1.331 -12.930 5.789 499 H GLN 93 H GLN 93 -2.968 -11.597 6.097 500 HA GLN 93 HA GLN 93 -3.283 -11.035 8.943 501 HB2 GLN 93 2HB GLN 93 -1.057 -10.079 9.305 502 HB3 GLN 93 3HB GLN 93 -0.919 -11.774 8.911 503 HG2 GLN 93 2HG GLN 93 -0.361 -11.110 6.546 504 HG3 GLN 93 3HG GLN 93 -0.449 -9.421 7.059 505 HE21 GLN 93 1HE2 GLN 93 1.254 -12.488 7.973 506 HE22 GLN 93 2HE2 GLN 93 2.790 -11.658 8.213 507 HA PRO 94 HA PRO 94 -4.490 -7.287 7.178 508 HB2 PRO 94 2HB PRO 94 -4.047 -5.310 9.101 509 HB3 PRO 94 3HB PRO 94 -5.302 -6.583 9.241 510 HG2 PRO 94 2HG PRO 94 -2.470 -6.641 10.354 511 HG3 PRO 94 3HG PRO 94 -4.005 -6.959 11.234 512 HD2 PRO 94 2HD PRO 94 -2.509 -8.959 10.287 513 HD3 PRO 94 3HD PRO 94 -4.285 -9.023 10.082 514 H LEU 95 H LEU 95 -4.197 -5.560 6.090 515 HA LEU 95 HA LEU 95 -1.622 -4.788 5.036 516 HG LEU 95 HG LEU 95 -4.174 -4.122 2.413 517 HB2 LEU 95 2HB LEU 95 -4.445 -3.630 4.939 518 HB3 LEU 95 3HB LEU 95 -3.120 -2.950 4.066 519 HD11 LEU 95 1HD1 LEU 95 -1.896 -4.840 2.297 520 HD12 LEU 95 2HD1 LEU 95 -2.228 -6.113 3.463 521 HD13 LEU 95 3HD1 LEU 95 -2.978 -6.185 1.866 522 HD21 LEU 95 3HD2 LEU 95 -5.349 -5.983 2.461 523 HD22 LEU 95 1HD2 LEU 95 -4.718 -6.501 4.066 524 HD23 LEU 95 2HD2 LEU 95 -5.823 -5.097 3.901 525 H GLU 96 H GLU 96 -0.582 -2.816 5.164 526 HA GLU 96 HA GLU 96 -1.178 -1.100 7.516 527 HB2 GLU 96 2HB GLU 96 0.580 -2.909 7.721 528 HB3 GLU 96 3HB GLU 96 1.592 -1.979 6.620 529 HG2 GLU 96 2HG GLU 96 1.572 -0.082 8.099 530 HG3 GLU 96 3HG GLU 96 0.380 -0.842 9.172 531 H VAL 97 H VAL 97 -2.292 -0.465 5.400 532 HA VAL 97 HA VAL 97 -0.996 1.057 3.349 533 HB VAL 97 HB VAL 97 -3.777 0.859 4.548 534 HG11 VAL 97 1HG1 VAL 97 -3.206 2.162 1.873 535 HG12 VAL 97 2HG1 VAL 97 -4.783 1.739 2.509 536 HG13 VAL 97 3HG1 VAL 97 -3.823 2.971 3.342 537 HG21 VAL 97 3HG2 VAL 97 -4.192 -0.903 3.124 538 HG22 VAL 97 1HG2 VAL 97 -3.242 -0.209 1.778 539 HG23 VAL 97 2HG2 VAL 97 -2.446 -1.055 3.099 540 H VAL 98 H VAL 98 0.179 3.083 4.136 541 HA VAL 98 HA VAL 98 -1.362 4.808 5.951 542 HB VAL 98 HB VAL 98 -0.398 2.562 7.003 543 HG11 VAL 98 1HG1 VAL 98 2.118 3.976 7.660 544 HG12 VAL 98 2HG1 VAL 98 1.576 2.343 7.962 545 HG13 VAL 98 3HG1 VAL 98 1.957 2.794 6.312 546 HG21 VAL 98 3HG2 VAL 98 -1.790 3.974 7.998 547 HG22 VAL 98 1HG2 VAL 98 -0.479 3.563 9.132 548 HG23 VAL 98 2HG2 VAL 98 -0.508 5.181 8.358 549 H TYR 99 H TYR 99 1.403 5.449 7.070 550 HA TYR 99 HA TYR 99 2.556 7.108 4.859 551 HD1 TYR 99 HD1 TYR 99 0.432 8.183 5.197 552 HD2 TYR 99 HD2 TYR 99 2.336 9.841 8.693 553 HE1 TYR 99 HE1 TYR 99 -1.453 9.740 5.468 554 HE2 TYR 99 HE2 TYR 99 0.456 11.464 8.925 555 HH TYR 99 HH TYR 99 -2.326 11.494 6.668 556 HB2 TYR 99 2HB TYR 99 2.819 7.479 7.880 557 HB3 TYR 99 3HB TYR 99 3.573 8.464 6.641 558 H SER 100 H SER 100 3.149 4.716 4.354 559 HA SER 100 HA SER 100 4.220 2.905 5.727 560 HG SER 100 HG SER 100 6.843 2.363 3.561 561 HB2 SER 100 2HB SER 100 4.018 2.367 3.548 562 HB3 SER 100 3HB SER 100 5.193 3.530 3.074 563 H LYS 101 H LYS 101 5.839 2.235 6.941 564 HA LYS 101 HA LYS 101 7.608 4.009 8.263 565 HB2 LYS 101 2HB LYS 101 7.300 0.982 8.285 566 HB3 LYS 101 3HB LYS 101 8.296 1.871 9.446 567 HG2 LYS 101 2HG LYS 101 6.403 3.084 10.317 568 HG3 LYS 101 3HG LYS 101 5.319 2.410 9.092 569 HD2 LYS 101 2HD LYS 101 5.666 0.152 9.948 570 HD3 LYS 101 3HD LYS 101 6.793 0.749 11.177 571 HE2 LYS 101 2HE LYS 101 5.065 1.985 12.305 572 HE3 LYS 101 3HE LYS 101 3.949 1.798 10.948 573 HZ1 LYS 101 3HZ LYS 101 3.414 0.240 12.732 574 HZ2 LYS 101 1HZ LYS 101 3.841 -0.538 11.349 575 HZ3 LYS 101 2HZ LYS 101 4.893 -0.466 12.615 576 H LEU 102 H LEU 102 8.295 3.610 5.379 577 HA LEU 102 HA LEU 102 11.187 3.685 5.672 578 HG LEU 102 HG LEU 102 11.891 2.714 2.796 579 HB2 LEU 102 2HB LEU 102 10.769 1.271 5.236 580 HB3 LEU 102 3HB LEU 102 9.814 1.687 3.814 581 HD11 LEU 102 1HD1 LEU 102 13.226 3.087 4.852 582 HD12 LEU 102 2HD1 LEU 102 13.277 1.337 5.133 583 HD13 LEU 102 3HD1 LEU 102 14.083 2.039 3.713 584 HD21 LEU 102 3HD2 LEU 102 11.118 0.444 2.221 585 HD22 LEU 102 1HD2 LEU 102 12.886 0.567 2.177 586 HD23 LEU 102 2HD2 LEU 102 12.084 -0.223 3.558 587 HA PRO 103 HA PRO 103 9.688 6.721 2.568 588 HB2 PRO 103 2HB PRO 103 11.609 8.613 2.789 589 HB3 PRO 103 3HB PRO 103 10.482 8.267 4.129 590 HG2 PRO 103 2HG PRO 103 13.289 7.157 3.750 591 HG3 PRO 103 3HG PRO 103 12.621 7.990 5.195 592 HD2 PRO 103 2HD PRO 103 12.665 5.266 4.959 593 HD3 PRO 103 3HD PRO 103 11.337 6.120 5.798 594 H ALA 104 H ALA 104 11.582 4.314 1.931 595 HA ALA 104 HA ALA 104 12.663 5.258 -0.665 596 HB1 ALA 104 1HB ALA 104 14.504 5.344 0.999 597 HB2 ALA 104 2HB ALA 104 14.206 3.635 1.402 598 HB3 ALA 104 3HB ALA 104 14.782 4.083 -0.211 Start of MODEL 6 1 H GLU 28 H GLU 28 8.307 13.961 12.063 2 HA GLU 28 HA GLU 28 5.893 14.294 10.428 3 HB2 GLU 28 2HB GLU 28 7.258 14.944 8.610 4 HB3 GLU 28 3HB GLU 28 7.653 15.980 9.961 5 HG2 GLU 28 2HG GLU 28 9.355 13.571 9.154 6 HG3 GLU 28 3HG GLU 28 9.562 15.176 8.479 7 H LEU 29 H LEU 29 6.183 13.043 8.278 8 HA LEU 29 HA LEU 29 7.285 10.331 8.547 9 HG LEU 29 HG LEU 29 4.096 8.551 9.307 10 HB2 LEU 29 2HB LEU 29 4.620 10.908 9.372 11 HB3 LEU 29 3HB LEU 29 4.423 10.332 7.747 12 HD11 LEU 29 1HD1 LEU 29 5.354 7.972 7.187 13 HD12 LEU 29 2HD1 LEU 29 6.840 7.997 8.149 14 HD13 LEU 29 3HD1 LEU 29 5.529 6.837 8.515 15 HD21 LEU 29 3HD2 LEU 29 5.767 7.717 10.839 16 HD22 LEU 29 1HD2 LEU 29 6.919 8.970 10.336 17 HD23 LEU 29 2HD2 LEU 29 5.427 9.425 11.185 18 H SER 30 H SER 30 6.702 9.103 6.386 19 HA SER 30 HA SER 30 7.173 10.752 4.055 20 HG SER 30 HG SER 30 8.561 7.444 4.049 21 HB2 SER 30 2HB SER 30 6.298 7.854 4.157 22 HB3 SER 30 3HB SER 30 7.095 8.693 2.820 23 H ASN 31 H ASN 31 4.403 10.306 5.763 24 HA ASN 31 HA ASN 31 2.211 10.516 5.611 25 HB2 ASN 31 2HB ASN 31 2.551 12.649 3.571 26 HB3 ASN 31 3HB ASN 31 1.513 12.601 4.972 27 HD21 ASN 31 1HD2 ASN 31 4.148 14.115 3.766 28 HD22 ASN 31 2HD2 ASN 31 4.938 14.528 5.276 29 H THR 32 H THR 32 3.299 9.202 2.668 30 HA THR 32 HA THR 32 0.491 9.105 1.619 31 HB THR 32 HB THR 32 1.241 9.780 -0.509 32 HG1 THR 32 1HG THR 32 3.300 10.033 -1.057 33 HG21 THR 32 1HG2 THR 32 1.031 11.676 1.164 34 HG22 THR 32 2HG2 THR 32 2.804 11.641 1.318 35 HG23 THR 32 3HG2 THR 32 2.050 12.007 -0.243 36 H ARG 33 H ARG 33 1.752 6.710 2.867 37 HA ARG 33 HA ARG 33 2.394 5.114 0.424 38 HE ARG 33 HE ARG 33 6.947 6.739 -0.495 39 HB2 ARG 33 2HB ARG 33 4.147 5.470 2.816 40 HB3 ARG 33 3HB ARG 33 4.254 4.048 1.727 41 HG2 ARG 33 2HG ARG 33 4.892 5.209 -0.046 42 HG3 ARG 33 3HG ARG 33 4.618 6.814 0.738 43 HD2 ARG 33 2HD ARG 33 6.515 6.529 2.131 44 HD3 ARG 33 3HD ARG 33 6.640 4.798 1.743 45 HH11 ARG 33 1HH2 ARG 33 8.861 4.782 1.662 46 HH12 ARG 33 2HH2 ARG 33 9.955 4.318 0.349 47 HH21 ARG 33 2HH1 ARG 33 8.402 6.375 -1.889 48 HH22 ARG 33 1HH1 ARG 33 9.850 5.415 -1.542 49 H LEU 34 H LEU 34 1.718 3.234 0.318 50 HA LEU 34 HA LEU 34 0.330 2.143 2.680 51 HG LEU 34 HG LEU 34 -2.295 2.922 0.090 52 HB2 LEU 34 2HB LEU 34 -0.182 1.408 -0.135 53 HB3 LEU 34 3HB LEU 34 -1.263 1.223 1.195 54 HD11 LEU 34 1HD1 LEU 34 -1.680 3.861 2.373 55 HD12 LEU 34 2HD1 LEU 34 -0.512 4.885 1.518 56 HD13 LEU 34 3HD1 LEU 34 -2.214 4.982 1.129 57 HD21 LEU 34 3HD2 LEU 34 -1.184 3.398 -1.797 58 HD22 LEU 34 1HD2 LEU 34 -0.846 4.905 -0.944 59 HD23 LEU 34 2HD2 LEU 34 0.363 3.644 -0.996 60 H PHE 35 H PHE 35 1.258 0.617 3.692 61 HA PHE 35 HA PHE 35 3.406 -0.986 2.445 62 HD1 PHE 35 HD1 PHE 35 4.524 -2.813 3.517 63 HD2 PHE 35 HD2 PHE 35 5.192 0.163 6.586 64 HE1 PHE 35 HE1 PHE 35 6.409 -4.122 4.381 65 HE2 PHE 35 HE2 PHE 35 7.087 -1.190 7.455 66 HZ PHE 35 HZ PHE 35 7.697 -3.332 6.360 67 HB2 PHE 35 2HB PHE 35 4.138 0.507 3.963 68 HB3 PHE 35 3HB PHE 35 3.105 0.282 5.186 69 H VAL 36 H VAL 36 2.524 -2.545 1.667 70 HA VAL 36 HA VAL 36 0.215 -3.988 2.892 71 HB VAL 36 HB VAL 36 1.024 -2.859 0.218 72 HG11 VAL 36 1HG1 VAL 36 -1.042 -3.379 -0.771 73 HG12 VAL 36 2HG1 VAL 36 0.058 -4.722 -0.609 74 HG13 VAL 36 3HG1 VAL 36 -1.356 -4.582 0.501 75 HG21 VAL 36 3HG2 VAL 36 -1.720 -2.488 1.451 76 HG22 VAL 36 1HG2 VAL 36 -0.402 -1.715 2.306 77 HG23 VAL 36 2HG2 VAL 36 -0.665 -1.289 0.624 78 H ARG 37 H ARG 37 1.187 -5.616 3.779 79 HA ARG 37 HA ARG 37 3.010 -7.401 2.202 80 HE ARG 37 HE ARG 37 3.719 -6.427 8.439 81 HB2 ARG 37 2HB ARG 37 4.473 -7.475 4.174 82 HB3 ARG 37 3HB ARG 37 4.284 -5.846 3.541 83 HG2 ARG 37 2HG ARG 37 2.895 -5.144 5.331 84 HG3 ARG 37 3HG ARG 37 2.527 -6.796 5.821 85 HD2 ARG 37 2HD ARG 37 4.878 -7.111 6.547 86 HD3 ARG 37 3HD ARG 37 5.236 -5.439 6.118 87 HH11 ARG 37 1HH2 ARG 37 4.493 -3.477 6.622 88 HH12 ARG 37 2HH2 ARG 37 3.851 -2.501 7.937 89 HH21 ARG 37 2HH1 ARG 37 2.983 -4.952 10.011 90 HH22 ARG 37 1HH1 ARG 37 3.117 -3.232 9.636 91 HA PRO 38 HA PRO 38 0.510 -10.279 5.139 92 HB2 PRO 38 2HB PRO 38 -1.931 -10.770 4.016 93 HB3 PRO 38 3HB PRO 38 -1.667 -9.450 5.186 94 HG2 PRO 38 2HG PRO 38 -1.730 -9.197 2.194 95 HG3 PRO 38 3HG PRO 38 -2.609 -8.268 3.447 96 HD2 PRO 38 2HD PRO 38 -0.289 -7.332 2.421 97 HD3 PRO 38 3HD PRO 38 -0.622 -7.166 4.165 98 H PHE 39 H PHE 39 0.231 -9.933 1.654 99 HA PHE 39 HA PHE 39 -0.171 -12.647 0.950 100 HD1 PHE 39 HD2 PHE 39 1.242 -8.688 0.180 101 HD2 PHE 39 HD1 PHE 39 -2.435 -10.561 -1.155 102 HE1 PHE 39 HE2 PHE 39 0.084 -6.574 0.293 103 HE2 PHE 39 HE1 PHE 39 -3.514 -8.338 -1.226 104 HZ PHE 39 HZ PHE 39 -2.291 -6.338 -0.481 105 HB2 PHE 39 2HB PHE 39 1.149 -10.947 -1.066 106 HB3 PHE 39 3HB PHE 39 -0.356 -11.833 -1.168 107 HA PRO 40 HA PRO 40 4.175 -13.766 0.387 108 HB2 PRO 40 2HB PRO 40 3.342 -15.963 -1.444 109 HB3 PRO 40 3HB PRO 40 4.115 -16.074 0.160 110 HG2 PRO 40 2HG PRO 40 1.484 -16.792 -0.323 111 HG3 PRO 40 3HG PRO 40 2.078 -16.181 1.246 112 HD2 PRO 40 2HD PRO 40 0.658 -14.643 -0.936 113 HD3 PRO 40 3HD PRO 40 0.407 -14.623 0.833 114 H LEU 41 H LEU 41 5.055 -14.879 -2.164 115 HA LEU 41 HA LEU 41 5.561 -12.606 -3.733 116 HG LEU 41 HG LEU 41 7.990 -15.423 -4.481 117 HB2 LEU 41 2HB LEU 41 5.507 -15.542 -4.576 118 HB3 LEU 41 3HB LEU 41 6.256 -14.242 -5.472 119 HD11 LEU 41 1HD1 LEU 41 9.129 -13.793 -3.092 120 HD12 LEU 41 2HD1 LEU 41 8.229 -12.961 -4.375 121 HD13 LEU 41 3HD1 LEU 41 7.587 -12.996 -2.709 122 HD21 LEU 41 3HD2 LEU 41 6.677 -16.560 -2.658 123 HD22 LEU 41 1HD2 LEU 41 8.300 -16.013 -2.213 124 HD23 LEU 41 2HD2 LEU 41 6.901 -15.089 -1.672 125 H ASP 42 H ASP 42 2.578 -14.265 -3.611 126 HA ASP 42 HA ASP 42 1.601 -14.183 -6.235 127 HB2 ASP 42 2HB ASP 42 0.105 -13.866 -3.612 128 HB3 ASP 42 3HB ASP 42 -0.620 -14.287 -5.160 129 H VAL 43 H VAL 43 1.757 -11.429 -3.930 130 HA VAL 43 HA VAL 43 -0.149 -9.867 -5.506 131 HB VAL 43 HB VAL 43 0.056 -9.522 -3.096 132 HG11 VAL 43 1HG1 VAL 43 2.507 -9.687 -2.782 133 HG12 VAL 43 2HG1 VAL 43 2.725 -8.158 -3.667 134 HG13 VAL 43 3HG1 VAL 43 1.869 -8.172 -2.125 135 HG21 VAL 43 3HG2 VAL 43 -0.142 -7.104 -3.108 136 HG22 VAL 43 1HG2 VAL 43 0.681 -6.992 -4.672 137 HG23 VAL 43 2HG2 VAL 43 -0.913 -7.765 -4.550 138 H GLN 44 H GLN 44 0.167 -8.295 -6.970 139 HA GLN 44 HA GLN 44 2.893 -7.495 -7.761 140 HB2 GLN 44 2HB GLN 44 1.047 -8.155 -10.001 141 HB3 GLN 44 3HB GLN 44 2.786 -8.178 -9.983 142 HG2 GLN 44 2HG GLN 44 1.165 -10.392 -8.654 143 HG3 GLN 44 3HG GLN 44 1.383 -10.323 -10.383 144 HE21 GLN 44 2HE2 GLN 44 3.448 -10.256 -7.392 145 HE22 GLN 44 1HE2 GLN 44 4.600 -11.366 -8.070 146 H GLU 45 H GLU 45 2.682 -5.768 -9.544 147 HA GLU 45 HA GLU 45 1.096 -3.582 -8.701 148 HB2 GLU 45 2HB GLU 45 3.172 -3.490 -10.002 149 HB3 GLU 45 3HB GLU 45 2.398 -4.186 -11.407 150 HG2 GLU 45 2HG GLU 45 1.364 -1.603 -10.171 151 HG3 GLU 45 3HG GLU 45 2.828 -1.589 -11.137 152 H SER 46 H SER 46 0.154 -6.200 -10.950 153 HA SER 46 HA SER 46 -2.262 -4.971 -11.899 154 HG SER 46 HG SER 46 -1.156 -8.444 -11.012 155 HB2 SER 46 2HB SER 46 -2.861 -7.517 -12.223 156 HB3 SER 46 3HB SER 46 -1.660 -6.700 -13.217 157 H GLU 47 H GLU 47 -1.572 -6.692 -8.827 158 HA GLU 47 HA GLU 47 -4.403 -7.264 -8.250 159 HB2 GLU 47 2HB GLU 47 -1.645 -7.793 -7.049 160 HB3 GLU 47 3HB GLU 47 -3.073 -7.941 -6.073 161 HG2 GLU 47 2HG GLU 47 -2.378 -10.097 -7.009 162 HG3 GLU 47 3HG GLU 47 -4.007 -9.624 -7.505 163 H LEU 48 H LEU 48 -1.678 -5.198 -7.322 164 HA LEU 48 HA LEU 48 -3.065 -3.547 -5.428 165 HG LEU 48 HG LEU 48 -0.585 -5.053 -5.419 166 HB2 LEU 48 2HB LEU 48 -0.661 -3.059 -7.206 167 HB3 LEU 48 3HB LEU 48 -1.101 -2.087 -5.903 168 HD11 LEU 48 1HD1 LEU 48 1.708 -4.692 -5.068 169 HD12 LEU 48 2HD1 LEU 48 1.338 -4.057 -6.667 170 HD13 LEU 48 3HD1 LEU 48 1.561 -2.938 -5.299 171 HD21 LEU 48 3HD2 LEU 48 -1.411 -3.834 -3.543 172 HD22 LEU 48 1HD2 LEU 48 0.306 -4.167 -3.310 173 HD23 LEU 48 2HD2 LEU 48 -0.203 -2.520 -3.819 174 H ASN 49 H ASN 49 -2.676 -3.448 -9.012 175 HA ASN 49 HA ASN 49 -4.212 -1.025 -9.385 176 HB2 ASN 49 2HB ASN 49 -3.472 -3.297 -11.169 177 HB3 ASN 49 3HB ASN 49 -4.911 -2.400 -11.619 178 HD21 ASN 49 2HD2 ASN 49 -1.518 -1.906 -10.705 179 HD22 ASN 49 1HD2 ASN 49 -1.246 -0.586 -11.830 180 H GLU 50 H GLU 50 -5.390 -4.419 -9.185 181 HA GLU 50 HA GLU 50 -8.170 -3.771 -9.400 182 HB2 GLU 50 2HB GLU 50 -6.567 -6.031 -8.245 183 HB3 GLU 50 3HB GLU 50 -8.297 -5.981 -7.927 184 HG2 GLU 50 2HG GLU 50 -7.031 -5.899 -10.711 185 HG3 GLU 50 3HG GLU 50 -7.602 -7.364 -9.922 186 H ILE 51 H ILE 51 -6.066 -3.752 -6.534 187 HA ILE 51 HA ILE 51 -8.332 -3.347 -4.697 188 HB ILE 51 HB ILE 51 -5.359 -3.641 -4.421 189 HG12 ILE 51 2HG1 ILE 51 -7.563 -5.540 -3.507 190 HG13 ILE 51 3HG1 ILE 51 -6.786 -5.651 -5.074 191 HG21 ILE 51 1HG2 ILE 51 -5.680 -3.872 -1.952 192 HG22 ILE 51 2HG2 ILE 51 -6.101 -2.261 -2.499 193 HG23 ILE 51 3HG2 ILE 51 -7.391 -3.435 -2.154 194 HD11 ILE 51 3HD1 ILE 51 -5.447 -6.069 -2.380 195 HD12 ILE 51 1HD1 ILE 51 -5.705 -7.244 -3.670 196 HD13 ILE 51 2HD1 ILE 51 -4.553 -5.921 -3.906 197 H PHE 52 H PHE 52 -5.759 -1.319 -6.060 198 HA PHE 52 HA PHE 52 -6.456 0.934 -4.272 199 HD1 PHE 52 HD1 PHE 52 -4.223 -1.781 -4.499 200 HD2 PHE 52 HD2 PHE 52 -3.526 2.144 -2.849 201 HE1 PHE 52 HE1 PHE 52 -2.979 -2.798 -2.649 202 HE2 PHE 52 HE2 PHE 52 -2.111 1.103 -1.124 203 HZ PHE 52 HZ PHE 52 -1.682 -1.343 -1.163 204 HB2 PHE 52 2HB PHE 52 -4.042 0.474 -5.944 205 HB3 PHE 52 3HB PHE 52 -4.366 1.944 -5.056 206 H GLY 53 H GLY 53 -6.768 -0.016 -7.601 207 HA2 GLY 53 2HA GLY 53 -7.103 2.407 -8.987 208 HA3 GLY 53 3HA GLY 53 -7.999 0.912 -9.273 209 HA PRO 54 HA PRO 54 -11.633 2.689 -7.182 210 HB2 PRO 54 2HB PRO 54 -11.122 1.753 -4.373 211 HB3 PRO 54 3HB PRO 54 -12.591 1.569 -5.384 212 HG2 PRO 54 2HG PRO 54 -10.945 -0.543 -4.972 213 HG3 PRO 54 3HG PRO 54 -11.599 -0.238 -6.619 214 HD2 PRO 54 2HD PRO 54 -8.954 0.667 -5.463 215 HD3 PRO 54 3HD PRO 54 -9.187 -0.298 -6.938 216 H PHE 55 H PHE 55 -8.629 3.218 -5.335 217 HA PHE 55 HA PHE 55 -9.592 5.643 -3.979 218 HD1 PHE 55 HD2 PHE 55 -9.862 3.734 -2.640 219 HD2 PHE 55 HD1 PHE 55 -5.616 3.148 -3.025 220 HE1 PHE 55 HE2 PHE 55 -10.072 1.519 -1.559 221 HE2 PHE 55 HE1 PHE 55 -5.803 1.041 -1.671 222 HZ PHE 55 HZ PHE 55 -8.054 0.211 -1.007 223 HB2 PHE 55 2HB PHE 55 -6.699 4.792 -4.241 224 HB3 PHE 55 3HB PHE 55 -7.453 5.751 -3.019 225 H GLY 56 H GLY 56 -7.198 4.803 -6.482 226 HA2 GLY 56 2HA GLY 56 -7.568 5.891 -8.591 227 HA3 GLY 56 3HA GLY 56 -7.719 7.434 -7.755 228 HA PRO 57 HA PRO 57 -3.714 8.453 -8.782 229 HB2 PRO 57 2HB PRO 57 -2.768 10.109 -6.833 230 HB3 PRO 57 3HB PRO 57 -4.291 10.415 -7.706 231 HG2 PRO 57 2HG PRO 57 -3.951 9.004 -5.043 232 HG3 PRO 57 3HG PRO 57 -4.997 10.422 -5.409 233 HD2 PRO 57 2HD PRO 57 -5.973 7.884 -5.441 234 HD3 PRO 57 3HD PRO 57 -6.513 9.102 -6.644 235 H MET 58 H MET 58 -3.524 5.749 -7.635 236 HA MET 58 HA MET 58 -1.088 5.179 -6.211 237 HB2 MET 58 2HB MET 58 -1.063 3.118 -7.503 238 HB3 MET 58 3HB MET 58 -2.506 3.408 -6.537 239 HG2 MET 58 2HG MET 58 -3.892 3.448 -8.316 240 HG3 MET 58 3HG MET 58 -2.762 4.328 -9.347 241 HE1 MET 58 3HE MET 58 -3.739 0.739 -7.969 242 HE2 MET 58 1HE MET 58 -2.305 -0.184 -8.497 243 HE3 MET 58 2HE MET 58 -2.137 1.113 -7.303 244 H LYS 59 H LYS 59 0.558 6.427 -6.591 245 HA LYS 59 HA LYS 59 1.540 6.978 -9.330 246 HB2 LYS 59 2HB LYS 59 0.759 8.797 -8.098 247 HB3 LYS 59 3HB LYS 59 1.543 8.296 -6.624 248 HG2 LYS 59 2HG LYS 59 3.108 9.262 -9.016 249 HG3 LYS 59 3HG LYS 59 2.327 10.295 -7.819 250 HD2 LYS 59 2HD LYS 59 4.581 8.352 -7.190 251 HD3 LYS 59 3HD LYS 59 4.562 10.119 -7.278 252 HE2 LYS 59 2HE LYS 59 2.751 10.086 -5.538 253 HE3 LYS 59 3HE LYS 59 3.292 8.436 -5.172 254 HZ1 LYS 59 3HZ LYS 59 5.469 9.312 -4.687 255 HZ2 LYS 59 1HZ LYS 59 5.059 10.840 -5.143 256 HZ3 LYS 59 2HZ LYS 59 4.381 10.173 -3.807 257 H GLU 60 H GLU 60 2.510 5.377 -6.366 258 HA GLU 60 HA GLU 60 4.552 4.077 -7.983 259 HB2 GLU 60 2HB GLU 60 5.664 5.995 -6.342 260 HB3 GLU 60 3HB GLU 60 5.572 4.605 -5.240 261 HG2 GLU 60 2HG GLU 60 6.750 3.233 -7.025 262 HG3 GLU 60 3HG GLU 60 6.972 4.731 -7.928 263 H VAL 61 H VAL 61 5.276 2.147 -7.275 264 HA VAL 61 HA VAL 61 3.527 0.636 -5.475 265 HB VAL 61 HB VAL 61 3.633 -0.179 -8.423 266 HG11 VAL 61 1HG1 VAL 61 1.755 -1.530 -7.841 267 HG12 VAL 61 2HG1 VAL 61 2.912 -1.676 -6.508 268 HG13 VAL 61 3HG1 VAL 61 1.480 -0.649 -6.329 269 HG21 VAL 61 3HG2 VAL 61 1.398 0.677 -8.871 270 HG22 VAL 61 1HG2 VAL 61 1.411 1.582 -7.345 271 HG23 VAL 61 2HG2 VAL 61 2.557 1.984 -8.647 272 H LYS 62 H LYS 62 5.728 0.661 -4.533 273 HA LYS 62 HA LYS 62 7.895 -0.721 -5.921 274 HB2 LYS 62 2HB LYS 62 7.615 -0.424 -2.918 275 HB3 LYS 62 3HB LYS 62 9.081 -0.625 -3.867 276 HG2 LYS 62 2HG LYS 62 8.623 1.675 -4.871 277 HG3 LYS 62 3HG LYS 62 7.307 1.847 -3.713 278 HD2 LYS 62 2HD LYS 62 8.845 2.753 -2.315 279 HD3 LYS 62 3HD LYS 62 9.341 1.088 -2.013 280 HE2 LYS 62 2HE LYS 62 11.371 2.102 -2.604 281 HE3 LYS 62 3HE LYS 62 10.838 1.370 -4.131 282 HZ1 LYS 62 3HZ LYS 62 10.934 4.195 -3.340 283 HZ2 LYS 62 1HZ LYS 62 11.292 3.537 -4.790 284 HZ3 LYS 62 2HZ LYS 62 9.723 3.771 -4.363 285 H ILE 63 H ILE 63 7.936 -2.851 -6.264 286 HA ILE 63 HA ILE 63 6.290 -4.679 -4.544 287 HB ILE 63 HB ILE 63 7.233 -5.367 -7.324 288 HG12 ILE 63 2HG1 ILE 63 5.791 -3.463 -7.697 289 HG13 ILE 63 3HG1 ILE 63 5.144 -4.952 -8.336 290 HG21 ILE 63 1HG2 ILE 63 5.107 -6.564 -5.503 291 HG22 ILE 63 2HG2 ILE 63 5.400 -7.069 -7.177 292 HG23 ILE 63 3HG2 ILE 63 6.655 -7.289 -5.961 293 HD11 ILE 63 3HD1 ILE 63 3.539 -5.113 -6.456 294 HD12 ILE 63 1HD1 ILE 63 4.156 -3.583 -5.792 295 HD13 ILE 63 2HD1 ILE 63 3.368 -3.633 -7.382 296 H LEU 64 H LEU 64 7.364 -5.992 -3.300 297 HA LEU 64 HA LEU 64 10.069 -7.054 -3.968 298 HG LEU 64 HG LEU 64 11.186 -4.830 -2.989 299 HB2 LEU 64 2HB LEU 64 9.005 -6.060 -1.293 300 HB3 LEU 64 3HB LEU 64 10.574 -6.779 -1.576 301 HD11 LEU 64 1HD1 LEU 64 9.606 -3.428 -3.719 302 HD12 LEU 64 2HD1 LEU 64 8.456 -3.858 -2.433 303 HD13 LEU 64 3HD1 LEU 64 9.749 -2.679 -2.143 304 HD21 LEU 64 3HD2 LEU 64 10.426 -4.444 -0.117 305 HD22 LEU 64 1HD2 LEU 64 11.947 -5.075 -0.766 306 HD23 LEU 64 2HD2 LEU 64 11.534 -3.370 -1.021 307 H ASN 65 H ASN 65 10.487 -8.747 -2.150 308 HA ASN 65 HA ASN 65 9.377 -11.146 -2.830 309 HB2 ASN 65 2HB ASN 65 10.706 -10.422 -0.239 310 HB3 ASN 65 3HB ASN 65 10.784 -12.012 -1.002 311 HD21 ASN 65 1HD2 ASN 65 12.680 -9.354 -0.490 312 HD22 ASN 65 2HD2 ASN 65 13.699 -9.495 -1.914 313 H GLY 66 H GLY 66 6.976 -9.971 -2.129 314 HA2 GLY 66 2HA GLY 66 5.085 -10.982 -1.094 315 HA3 GLY 66 3HA GLY 66 5.986 -11.330 0.357 316 H PHE 67 H PHE 67 6.595 -8.252 -1.216 317 HA PHE 67 HA PHE 67 4.751 -6.838 0.670 318 HD1 PHE 67 HD2 PHE 67 8.655 -8.209 0.346 319 HD2 PHE 67 HD1 PHE 67 6.528 -6.415 3.631 320 HE1 PHE 67 HE2 PHE 67 9.730 -9.807 1.918 321 HE2 PHE 67 HE1 PHE 67 7.605 -8.006 5.203 322 HZ PHE 67 HZ PHE 67 9.200 -9.712 4.348 323 HB2 PHE 67 2HB PHE 67 7.570 -5.904 0.233 324 HB3 PHE 67 3HB PHE 67 6.437 -5.404 1.458 325 H ALA 68 H ALA 68 3.937 -4.992 0.003 326 HA ALA 68 HA ALA 68 4.696 -3.698 -2.607 327 HB1 ALA 68 1HB ALA 68 2.654 -4.945 -2.865 328 HB2 ALA 68 2HB ALA 68 1.970 -4.129 -1.452 329 HB3 ALA 68 3HB ALA 68 2.388 -3.183 -2.890 330 H PHE 69 H PHE 69 5.105 -1.614 -2.393 331 HA PHE 69 HA PHE 69 4.117 -0.157 -0.023 332 HD1 PHE 69 HD2 PHE 69 7.188 -2.096 -1.383 333 HD2 PHE 69 HD1 PHE 69 6.957 0.078 2.323 334 HE1 PHE 69 HE2 PHE 69 8.365 -3.917 -0.252 335 HE2 PHE 69 HE1 PHE 69 8.302 -1.713 3.432 336 HZ PHE 69 HZ PHE 69 9.078 -3.713 2.057 337 HB2 PHE 69 2HB PHE 69 6.838 0.547 -1.140 338 HB3 PHE 69 3HB PHE 69 6.092 1.057 0.348 339 H VAL 70 H VAL 70 2.448 0.446 -1.201 340 HA VAL 70 HA VAL 70 2.764 1.781 -3.794 341 HB VAL 70 HB VAL 70 0.194 1.629 -2.224 342 HG11 VAL 70 1HG1 VAL 70 -0.797 1.376 -4.426 343 HG12 VAL 70 2HG1 VAL 70 0.194 2.872 -4.445 344 HG13 VAL 70 3HG1 VAL 70 0.801 1.334 -5.169 345 HG21 VAL 70 3HG2 VAL 70 1.007 -0.670 -2.345 346 HG22 VAL 70 1HG2 VAL 70 -0.251 -0.412 -3.572 347 HG23 VAL 70 2HG2 VAL 70 1.481 -0.373 -4.072 348 H GLU 71 H GLU 71 2.075 4.012 -4.131 349 HA GLU 71 HA GLU 71 2.530 5.810 -1.779 350 HB2 GLU 71 2HB GLU 71 4.714 4.976 -2.985 351 HB3 GLU 71 3HB GLU 71 4.144 5.987 -4.325 352 HG2 GLU 71 2HG GLU 71 4.042 7.962 -2.822 353 HG3 GLU 71 3HG GLU 71 4.667 6.979 -1.519 354 H PHE 72 H PHE 72 1.731 7.840 -2.086 355 HA PHE 72 HA PHE 72 0.641 8.608 -4.767 356 HD1 PHE 72 HD1 PHE 72 -1.184 6.911 -4.910 357 HD2 PHE 72 HD2 PHE 72 -1.962 7.966 -0.844 358 HE1 PHE 72 HE1 PHE 72 -2.734 4.942 -4.689 359 HE2 PHE 72 HE2 PHE 72 -3.494 6.034 -0.614 360 HZ PHE 72 HZ PHE 72 -3.894 4.528 -2.542 361 HB2 PHE 72 2HB PHE 72 -0.589 9.318 -2.077 362 HB3 PHE 72 3HB PHE 72 -1.281 9.509 -3.675 363 H GLU 73 H GLU 73 0.178 10.812 -5.065 364 HA GLU 73 HA GLU 73 2.558 12.380 -4.442 365 HB2 GLU 73 2HB GLU 73 1.736 13.938 -6.111 366 HB3 GLU 73 3HB GLU 73 1.754 12.277 -6.687 367 HG2 GLU 73 2HG GLU 73 -0.722 12.132 -6.235 368 HG3 GLU 73 3HG GLU 73 -0.693 13.841 -5.787 369 H GLU 74 H GLU 74 -0.399 12.163 -2.826 370 HA GLU 74 HA GLU 74 0.341 14.353 -1.053 371 HB2 GLU 74 2HB GLU 74 -2.137 15.183 -1.056 372 HB3 GLU 74 3HB GLU 74 -0.980 15.807 -2.197 373 HG2 GLU 74 3HG GLU 74 -3.213 15.390 -3.047 374 HG3 GLU 74 2HG GLU 74 -1.940 14.654 -4.048 375 H ALA 75 H ALA 75 -1.515 14.381 0.801 376 HA ALA 75 HA ALA 75 -1.482 11.575 1.776 377 HB1 ALA 75 1HB ALA 75 -1.532 12.579 3.988 378 HB2 ALA 75 2HB ALA 75 -0.241 13.306 3.019 379 HB3 ALA 75 3HB ALA 75 -1.760 14.197 3.287 380 H GLU 76 H GLU 76 -3.833 13.429 0.294 381 HA GLU 76 HA GLU 76 -6.120 12.837 2.073 382 HB2 GLU 76 2HB GLU 76 -6.114 13.650 -0.852 383 HB3 GLU 76 3HB GLU 76 -7.468 13.723 0.275 384 HG2 GLU 76 2HG GLU 76 -4.949 15.438 0.303 385 HG3 GLU 76 3HG GLU 76 -6.582 15.963 -0.074 386 H SER 77 H SER 77 -4.689 11.669 -0.910 387 HA SER 77 HA SER 77 -6.372 9.447 -1.552 388 HG SER 77 HG SER 77 -3.219 11.183 -1.947 389 HB2 SER 77 2HB SER 77 -4.266 8.681 -2.694 390 HB3 SER 77 3HB SER 77 -4.752 10.335 -3.083 391 H ALA 78 H ALA 78 -3.418 9.705 0.382 392 HA ALA 78 HA ALA 78 -3.433 7.029 1.387 393 HB1 ALA 78 1HB ALA 78 -1.494 8.475 1.532 394 HB2 ALA 78 2HB ALA 78 -2.304 9.503 2.744 395 HB3 ALA 78 3HB ALA 78 -1.913 7.807 3.109 396 H ALA 79 H ALA 79 -4.973 9.981 2.846 397 HA ALA 79 HA ALA 79 -6.086 8.762 5.124 398 HB1 ALA 79 1HB ALA 79 -7.305 10.989 3.467 399 HB2 ALA 79 2HB ALA 79 -7.652 10.591 5.155 400 HB3 ALA 79 3HB ALA 79 -6.043 11.180 4.702 401 H LYS 80 H LYS 80 -7.647 9.028 1.860 402 HA LYS 80 HA LYS 80 -9.792 7.316 2.721 403 HB2 LYS 80 2HB LYS 80 -10.508 7.154 0.418 404 HB3 LYS 80 3HB LYS 80 -10.061 8.829 0.801 405 HG2 LYS 80 2HG LYS 80 -7.953 8.534 -0.361 406 HG3 LYS 80 3HG LYS 80 -8.347 6.836 -0.760 407 HD2 LYS 80 2HD LYS 80 -9.927 7.460 -2.356 408 HD3 LYS 80 3HD LYS 80 -10.348 8.966 -1.518 409 HE2 LYS 80 2HE LYS 80 -8.267 10.014 -2.219 410 HE3 LYS 80 3HE LYS 80 -7.769 8.537 -3.067 411 HZ1 LYS 80 3HZ LYS 80 -10.252 10.030 -3.739 412 HZ2 LYS 80 1HZ LYS 80 -8.830 10.273 -4.503 413 HZ3 LYS 80 2HZ LYS 80 -9.546 8.816 -4.601 414 H ALA 81 H ALA 81 -6.753 6.501 1.055 415 HA ALA 81 HA ALA 81 -7.384 3.820 0.521 416 HB1 ALA 81 1HB ALA 81 -4.669 4.962 1.230 417 HB2 ALA 81 2HB ALA 81 -4.978 3.385 0.465 418 HB3 ALA 81 3HB ALA 81 -5.426 4.866 -0.379 419 H ILE 82 H ILE 82 -5.926 5.311 3.469 420 HA ILE 82 HA ILE 82 -5.722 3.099 5.152 421 HB ILE 82 HB ILE 82 -6.445 5.956 5.836 422 HG12 ILE 82 2HG1 ILE 82 -3.804 4.752 6.584 423 HG13 ILE 82 3HG1 ILE 82 -4.031 5.166 4.886 424 HG21 ILE 82 1HG2 ILE 82 -5.631 3.762 7.784 425 HG22 ILE 82 2HG2 ILE 82 -5.767 5.480 8.173 426 HG23 ILE 82 3HG2 ILE 82 -7.206 4.587 7.724 427 HD11 ILE 82 3HD1 ILE 82 -3.044 7.054 6.085 428 HD12 ILE 82 1HD1 ILE 82 -4.692 7.443 5.562 429 HD13 ILE 82 2HD1 ILE 82 -4.397 7.057 7.254 430 H GLU 83 H GLU 83 -8.518 5.385 4.978 431 HA GLU 83 HA GLU 83 -10.175 3.830 6.686 432 HB2 GLU 83 2HB GLU 83 -10.852 5.862 4.551 433 HB3 GLU 83 3HB GLU 83 -12.039 5.188 5.676 434 HG2 GLU 83 2HG GLU 83 -9.505 6.668 6.556 435 HG3 GLU 83 3HG GLU 83 -11.087 7.409 6.354 436 H GLU 84 H GLU 84 -9.542 3.375 3.265 437 HA GLU 84 HA GLU 84 -11.856 1.656 2.736 438 HB2 GLU 84 2HB GLU 84 -9.316 2.322 1.203 439 HB3 GLU 84 3HB GLU 84 -10.515 1.191 0.608 440 HG2 GLU 84 2HG GLU 84 -11.356 4.001 1.313 441 HG3 GLU 84 3HG GLU 84 -10.511 3.686 -0.189 442 H VAL 85 H VAL 85 -8.368 1.079 3.387 443 HA VAL 85 HA VAL 85 -8.919 -1.853 3.602 444 HB VAL 85 HB VAL 85 -8.578 -1.393 1.315 445 HG11 VAL 85 1HG1 VAL 85 -5.977 -0.109 2.077 446 HG12 VAL 85 2HG1 VAL 85 -6.312 -0.685 0.440 447 HG13 VAL 85 3HG1 VAL 85 -7.316 0.575 1.166 448 HG21 VAL 85 3HG2 VAL 85 -7.693 -3.538 2.235 449 HG22 VAL 85 1HG2 VAL 85 -6.951 -3.004 0.713 450 HG23 VAL 85 2HG2 VAL 85 -6.075 -2.794 2.238 451 H HIS 86 H HIS 86 -7.262 0.710 5.106 452 HA HIS 86 HA HIS 86 -5.036 -0.841 6.165 453 HD1 HIS 86 HD1 HIS 86 -2.854 1.816 7.304 454 HD2 HIS 86 HD2 HIS 86 -5.657 0.083 9.897 455 HE1 HIS 86 HE1 HIS 86 -1.618 1.390 9.510 456 HB2 HIS 86 2HB HIS 86 -5.198 1.628 6.320 457 HB3 HIS 86 3HB HIS 86 -6.483 1.466 7.510 458 H GLY 87 H GLY 87 -5.237 -2.630 7.372 459 HA2 GLY 87 2HA GLY 87 -5.434 -3.597 9.501 460 HA3 GLY 87 3HA GLY 87 -6.719 -2.472 9.939 461 H LYS 88 H LYS 88 -7.407 -3.446 6.904 462 HA LYS 88 HA LYS 88 -9.401 -5.511 7.560 463 HB2 LYS 88 2HB LYS 88 -8.553 -3.789 5.223 464 HB3 LYS 88 3HB LYS 88 -9.311 -5.279 4.869 465 HG2 LYS 88 2HG LYS 88 -11.016 -3.580 4.927 466 HG3 LYS 88 3HG LYS 88 -11.264 -4.633 6.310 467 HD2 LYS 88 2HD LYS 88 -11.619 -2.590 7.293 468 HD3 LYS 88 3HD LYS 88 -9.892 -2.728 7.609 469 HE2 LYS 88 2HE LYS 88 -9.493 -1.414 5.481 470 HE3 LYS 88 3HE LYS 88 -11.241 -1.198 5.341 471 HZ1 LYS 88 3HZ LYS 88 -9.493 -0.202 7.531 472 HZ2 LYS 88 1HZ LYS 88 -10.308 0.712 6.425 473 HZ3 LYS 88 2HZ LYS 88 -11.134 -0.104 7.570 474 H SER 89 H SER 89 -9.194 -7.583 6.877 475 HA SER 89 HA SER 89 -6.415 -8.570 6.878 476 HG SER 89 HG SER 89 -9.589 -10.373 6.666 477 HB2 SER 89 2HB SER 89 -7.480 -10.753 7.461 478 HB3 SER 89 3HB SER 89 -7.731 -9.432 8.610 479 H PHE 90 H PHE 90 -5.579 -8.472 4.775 480 HA PHE 90 HA PHE 90 -7.141 -9.845 2.623 481 HD1 PHE 90 HD1 PHE 90 -4.266 -10.536 0.641 482 HD2 PHE 90 HD2 PHE 90 -7.228 -7.412 0.371 483 HE1 PHE 90 HE1 PHE 90 -4.843 -11.281 -1.651 484 HE2 PHE 90 HE2 PHE 90 -7.730 -8.097 -1.954 485 HZ PHE 90 HZ PHE 90 -6.591 -10.075 -2.934 486 HB2 PHE 90 2HB PHE 90 -6.070 -7.674 2.285 487 HB3 PHE 90 3HB PHE 90 -4.503 -8.383 2.435 488 H ALA 91 H ALA 91 -6.539 -11.735 1.711 489 HA ALA 91 HA ALA 91 -5.888 -13.861 1.552 490 HB1 ALA 91 1HB ALA 91 -3.466 -14.325 1.571 491 HB2 ALA 91 2HB ALA 91 -3.868 -12.860 0.663 492 HB3 ALA 91 3HB ALA 91 -3.159 -12.731 2.292 493 H ASN 92 H ASN 92 -4.094 -12.844 4.473 494 HA ASN 92 HA ASN 92 -5.591 -14.695 6.174 495 HB2 ASN 92 2HB ASN 92 -3.587 -15.942 6.936 496 HB3 ASN 92 3HB ASN 92 -3.927 -16.216 5.235 497 HD21 ASN 92 1HD2 ASN 92 -1.779 -14.354 7.448 498 HD22 ASN 92 2HD2 ASN 92 -0.458 -14.313 6.291 499 H GLN 93 H GLN 93 -4.036 -11.690 5.829 500 HA GLN 93 HA GLN 93 -4.201 -11.131 8.664 501 HB2 GLN 93 2HB GLN 93 -1.844 -10.683 9.096 502 HB3 GLN 93 3HB GLN 93 -2.093 -12.359 8.679 503 HG2 GLN 93 2HG GLN 93 -1.365 -11.684 6.284 504 HG3 GLN 93 3HG GLN 93 -0.788 -10.186 7.037 505 HE21 GLN 93 2HE2 GLN 93 0.758 -12.449 5.664 506 HE22 GLN 93 1HE2 GLN 93 1.898 -12.932 6.906 507 HA PRO 94 HA PRO 94 -4.791 -7.250 7.093 508 HB2 PRO 94 2HB PRO 94 -3.528 -5.771 9.377 509 HB3 PRO 94 3HB PRO 94 -5.245 -5.864 8.902 510 HG2 PRO 94 2HG PRO 94 -4.305 -7.201 11.100 511 HG3 PRO 94 3HG PRO 94 -5.564 -7.896 10.025 512 HD2 PRO 94 2HD PRO 94 -2.559 -8.382 9.969 513 HD3 PRO 94 3HD PRO 94 -3.881 -9.581 10.014 514 H LEU 95 H LEU 95 -4.366 -5.274 6.287 515 HA LEU 95 HA LEU 95 -1.707 -4.734 5.182 516 HG LEU 95 HG LEU 95 -4.081 -3.897 2.524 517 HB2 LEU 95 2HB LEU 95 -4.491 -3.486 5.077 518 HB3 LEU 95 3HB LEU 95 -3.140 -2.787 4.270 519 HD11 LEU 95 1HD1 LEU 95 -2.535 -6.171 3.677 520 HD12 LEU 95 2HD1 LEU 95 -3.002 -5.991 1.979 521 HD13 LEU 95 3HD1 LEU 95 -1.836 -4.859 2.709 522 HD21 LEU 95 3HD2 LEU 95 -5.396 -5.677 2.447 523 HD22 LEU 95 1HD2 LEU 95 -4.927 -6.276 4.076 524 HD23 LEU 95 2HD2 LEU 95 -5.917 -4.800 3.877 525 H GLU 96 H GLU 96 -0.496 -2.839 5.470 526 HA GLU 96 HA GLU 96 -1.269 -0.969 7.653 527 HB2 GLU 96 2HB GLU 96 0.717 -2.521 8.097 528 HB3 GLU 96 3HB GLU 96 1.592 -1.598 6.875 529 HG2 GLU 96 2HG GLU 96 0.737 0.478 8.313 530 HG3 GLU 96 3HG GLU 96 0.580 -0.729 9.583 531 H VAL 97 H VAL 97 -2.380 -0.547 5.474 532 HA VAL 97 HA VAL 97 -1.174 1.021 3.371 533 HB VAL 97 HB VAL 97 -3.947 0.822 4.558 534 HG11 VAL 97 1HG1 VAL 97 -3.230 2.136 1.919 535 HG12 VAL 97 2HG1 VAL 97 -4.847 1.755 2.459 536 HG13 VAL 97 3HG1 VAL 97 -3.898 2.949 3.351 537 HG21 VAL 97 3HG2 VAL 97 -2.559 -1.067 3.080 538 HG22 VAL 97 1HG2 VAL 97 -4.312 -0.951 3.111 539 HG23 VAL 97 2HG2 VAL 97 -3.372 -0.212 1.783 540 H VAL 98 H VAL 98 0.014 3.016 4.165 541 HA VAL 98 HA VAL 98 -1.520 4.778 5.936 542 HB VAL 98 HB VAL 98 -0.517 2.570 7.052 543 HG11 VAL 98 1HG1 VAL 98 1.406 2.544 8.191 544 HG12 VAL 98 2HG1 VAL 98 1.827 2.770 6.500 545 HG13 VAL 98 3HG1 VAL 98 1.938 4.112 7.701 546 HG21 VAL 98 3HG2 VAL 98 -1.980 3.948 7.999 547 HG22 VAL 98 1HG2 VAL 98 -0.671 3.633 9.155 548 HG23 VAL 98 2HG2 VAL 98 -0.755 5.222 8.331 549 H TYR 99 H TYR 99 1.348 5.407 6.917 550 HA TYR 99 HA TYR 99 2.253 7.174 4.686 551 HD1 TYR 99 HD2 TYR 99 0.420 8.297 5.040 552 HD2 TYR 99 HD1 TYR 99 1.862 9.051 9.039 553 HE1 TYR 99 HE2 TYR 99 -1.464 9.813 5.415 554 HE2 TYR 99 HE1 TYR 99 -0.092 10.537 9.444 555 HH TYR 99 HH TYR 99 -2.563 11.175 6.927 556 HB2 TYR 99 2HB TYR 99 2.829 7.233 7.672 557 HB3 TYR 99 3HB TYR 99 3.333 8.431 6.481 558 H SER 100 H SER 100 2.723 4.199 5.235 559 HA SER 100 HA SER 100 4.117 2.667 5.873 560 HG SER 100 HG SER 100 6.279 1.670 4.733 561 HB2 SER 100 2HB SER 100 3.996 2.501 3.585 562 HB3 SER 100 3HB SER 100 5.173 3.728 3.446 563 H LYS 101 H LYS 101 5.763 5.497 6.585 564 HA LYS 101 HA LYS 101 7.668 6.148 7.476 565 HB2 LYS 101 2HB LYS 101 8.537 5.190 9.409 566 HB3 LYS 101 3HB LYS 101 6.798 5.034 9.464 567 HG2 LYS 101 2HG LYS 101 8.323 2.662 8.405 568 HG3 LYS 101 3HG LYS 101 8.569 3.066 10.097 569 HD2 LYS 101 2HD LYS 101 6.244 2.856 10.639 570 HD3 LYS 101 3HD LYS 101 5.780 2.700 8.933 571 HE2 LYS 101 2HE LYS 101 7.040 0.608 8.740 572 HE3 LYS 101 3HE LYS 101 7.608 0.753 10.412 573 HZ1 LYS 101 3HZ LYS 101 4.757 0.460 9.595 574 HZ2 LYS 101 1HZ LYS 101 5.667 -0.731 10.231 575 HZ3 LYS 101 2HZ LYS 101 5.287 0.575 11.140 576 H LEU 102 H LEU 102 8.053 3.538 5.415 577 HA LEU 102 HA LEU 102 10.910 3.528 5.230 578 HG LEU 102 HG LEU 102 11.190 3.188 2.266 579 HB2 LEU 102 2HB LEU 102 9.319 1.839 4.254 580 HB3 LEU 102 3HB LEU 102 8.772 3.053 3.105 581 HD11 LEU 102 1HD1 LEU 102 12.322 2.133 4.214 582 HD12 LEU 102 2HD1 LEU 102 11.449 0.623 3.898 583 HD13 LEU 102 3HD1 LEU 102 12.633 1.236 2.728 584 HD21 LEU 102 3HD2 LEU 102 9.405 1.925 1.083 585 HD22 LEU 102 1HD2 LEU 102 10.988 1.156 0.916 586 HD23 LEU 102 2HD2 LEU 102 9.795 0.488 2.052 587 HA PRO 103 HA PRO 103 10.934 7.759 3.632 588 HB2 PRO 103 2HB PRO 103 13.560 8.367 3.800 589 HB3 PRO 103 3HB PRO 103 12.596 7.984 5.253 590 HG2 PRO 103 2HG PRO 103 14.370 6.095 3.657 591 HG3 PRO 103 3HG PRO 103 14.402 6.405 5.426 592 HD2 PRO 103 2HD PRO 103 13.019 4.314 4.325 593 HD3 PRO 103 3HD PRO 103 12.429 5.184 5.773 594 H ALA 104 H ALA 104 12.178 5.160 1.803 595 HA ALA 104 HA ALA 104 12.762 6.847 -0.591 596 HB1 ALA 104 1HB ALA 104 14.362 4.474 0.464 597 HB2 ALA 104 2HB ALA 104 14.670 5.347 -1.045 598 HB3 ALA 104 3HB ALA 104 14.872 6.178 0.504 Start of MODEL 7 1 H GLU 28 H GLU 28 5.772 13.234 11.865 2 HA GLU 28 HA GLU 28 5.029 14.087 9.814 3 HB2 GLU 28 2HB GLU 28 7.877 15.091 9.612 4 HB3 GLU 28 3HB GLU 28 6.929 14.822 8.155 5 HG2 GLU 28 2HG GLU 28 6.907 17.191 9.073 6 HG3 GLU 28 3HG GLU 28 5.360 16.471 8.638 7 H LEU 29 H LEU 29 5.089 12.963 7.760 8 HA LEU 29 HA LEU 29 6.851 10.647 7.436 9 HG LEU 29 HG LEU 29 4.561 7.930 8.587 10 HB2 LEU 29 2HB LEU 29 4.484 10.330 8.945 11 HB3 LEU 29 3HB LEU 29 3.984 9.872 7.358 12 HD11 LEU 29 1HD1 LEU 29 6.138 6.738 7.298 13 HD12 LEU 29 2HD1 LEU 29 5.485 7.931 6.205 14 HD13 LEU 29 3HD1 LEU 29 7.081 8.203 6.909 15 HD21 LEU 29 3HD2 LEU 29 5.978 8.982 10.286 16 HD22 LEU 29 1HD2 LEU 29 6.710 7.506 9.617 17 HD23 LEU 29 2HD2 LEU 29 7.303 9.101 9.108 18 H SER 30 H SER 30 6.154 9.438 5.411 19 HA SER 30 HA SER 30 6.225 10.911 3.132 20 HG SER 30 HG SER 30 6.457 7.386 3.963 21 HB2 SER 30 2HB SER 30 4.726 8.288 3.314 22 HB3 SER 30 3HB SER 30 5.641 8.953 1.955 23 H ASN 31 H ASN 31 3.299 10.529 4.935 24 HA ASN 31 HA ASN 31 1.128 10.718 4.591 25 HB2 ASN 31 2HB ASN 31 0.338 12.735 3.376 26 HB3 ASN 31 3HB ASN 31 1.426 12.936 4.715 27 HD21 ASN 31 1HD2 ASN 31 3.749 13.431 4.218 28 HD22 ASN 31 2HD2 ASN 31 4.049 14.333 2.743 29 H THR 32 H THR 32 2.662 9.457 1.856 30 HA THR 32 HA THR 32 0.028 8.857 0.628 31 HB THR 32 HB THR 32 0.844 9.369 -1.498 32 HG1 THR 32 1HG THR 32 2.847 9.641 -1.985 33 HG21 THR 32 1HG2 THR 32 0.262 11.382 -0.071 34 HG22 THR 32 2HG2 THR 32 2.009 11.624 0.140 35 HG23 THR 32 3HG2 THR 32 1.296 11.679 -1.479 36 H ARG 33 H ARG 33 1.497 6.668 2.168 37 HA ARG 33 HA ARG 33 2.083 4.908 -0.165 38 HE ARG 33 HE ARG 33 6.233 6.993 -1.464 39 HB2 ARG 33 2HB ARG 33 4.049 5.347 2.060 40 HB3 ARG 33 3HB ARG 33 4.025 3.922 1.043 41 HG2 ARG 33 2HG ARG 33 5.527 4.855 -0.129 42 HG3 ARG 33 3HG ARG 33 4.172 5.676 -0.918 43 HD2 ARG 33 2HD ARG 33 4.552 7.656 0.481 44 HD3 ARG 33 3HD ARG 33 5.766 6.747 1.435 45 HH11 ARG 33 1HH1 ARG 33 7.468 8.059 1.703 46 HH12 ARG 33 2HH1 ARG 33 8.945 8.574 0.943 47 HH21 ARG 33 1HH2 ARG 33 7.993 7.542 -2.206 48 HH22 ARG 33 2HH2 ARG 33 9.262 8.318 -1.253 49 H LEU 34 H LEU 34 1.549 2.984 -0.089 50 HA LEU 34 HA LEU 34 0.300 2.005 2.387 51 HG LEU 34 HG LEU 34 -2.398 2.440 -0.169 52 HB2 LEU 34 2HB LEU 34 -0.265 0.990 -0.310 53 HB3 LEU 34 3HB LEU 34 -1.275 0.887 1.079 54 HD11 LEU 34 1HD1 LEU 34 -2.451 4.530 0.820 55 HD12 LEU 34 2HD1 LEU 34 -1.852 3.477 2.091 56 HD13 LEU 34 3HD1 LEU 34 -0.749 4.547 1.220 57 HD21 LEU 34 3HD2 LEU 34 0.177 3.056 -1.369 58 HD22 LEU 34 1HD2 LEU 34 -1.423 3.126 -2.049 59 HD23 LEU 34 2HD2 LEU 34 -0.775 4.502 -1.131 60 H PHE 35 H PHE 35 1.386 0.630 3.488 61 HA PHE 35 HA PHE 35 3.564 -0.925 2.256 62 HD1 PHE 35 HD1 PHE 35 5.043 -2.377 2.956 63 HD2 PHE 35 HD2 PHE 35 4.971 -0.188 6.681 64 HE1 PHE 35 HE1 PHE 35 6.864 -3.787 3.816 65 HE2 PHE 35 HE2 PHE 35 6.848 -1.574 7.499 66 HZ PHE 35 HZ PHE 35 7.803 -3.372 6.073 67 HB2 PHE 35 2HB PHE 35 4.269 0.591 3.829 68 HB3 PHE 35 3HB PHE 35 3.232 0.277 5.016 69 H VAL 36 H VAL 36 2.822 -2.611 1.558 70 HA VAL 36 HA VAL 36 0.625 -4.146 2.881 71 HB VAL 36 HB VAL 36 1.104 -2.917 0.178 72 HG11 VAL 36 1HG1 VAL 36 -0.908 -3.678 -0.695 73 HG12 VAL 36 2HG1 VAL 36 0.243 -4.985 -0.491 74 HG13 VAL 36 3HG1 VAL 36 -1.132 -4.796 0.666 75 HG21 VAL 36 3HG2 VAL 36 -0.129 -1.685 2.135 76 HG22 VAL 36 1HG2 VAL 36 -1.071 -1.828 0.682 77 HG23 VAL 36 2HG2 VAL 36 -1.361 -2.954 2.032 78 H ARG 37 H ARG 37 2.111 -5.368 3.795 79 HA ARG 37 HA ARG 37 3.723 -7.256 2.143 80 HE ARG 37 HE ARG 37 6.544 -5.056 7.653 81 HB2 ARG 37 2HB ARG 37 5.239 -7.364 4.096 82 HB3 ARG 37 3HB ARG 37 5.170 -5.786 3.357 83 HG2 ARG 37 2HG ARG 37 4.220 -4.787 5.171 84 HG3 ARG 37 3HG ARG 37 3.335 -6.244 5.684 85 HD2 ARG 37 2HD ARG 37 5.152 -7.210 6.712 86 HD3 ARG 37 3HD ARG 37 6.333 -6.353 5.759 87 HH11 ARG 37 1HH1 ARG 37 2.972 -5.195 7.352 88 HH12 ARG 37 2HH1 ARG 37 2.898 -3.836 8.470 89 HH21 ARG 37 1HH2 ARG 37 6.156 -3.478 9.001 90 HH22 ARG 37 2HH2 ARG 37 4.475 -2.985 9.301 91 HA PRO 38 HA PRO 38 1.408 -9.919 5.630 92 HB2 PRO 38 2HB PRO 38 -1.038 -9.342 3.895 93 HB3 PRO 38 3HB PRO 38 -1.016 -10.056 5.523 94 HG2 PRO 38 2HG PRO 38 -1.395 -7.450 5.408 95 HG3 PRO 38 3HG PRO 38 -0.036 -7.959 6.431 96 HD2 PRO 38 2HD PRO 38 0.109 -7.010 3.571 97 HD3 PRO 38 3HD PRO 38 1.075 -6.508 4.997 98 H PHE 39 H PHE 39 1.261 -9.796 2.134 99 HA PHE 39 HA PHE 39 0.261 -12.464 1.739 100 HD1 PHE 39 HD2 PHE 39 1.605 -8.648 0.663 101 HD2 PHE 39 HD1 PHE 39 -1.875 -10.866 -0.573 102 HE1 PHE 39 HE2 PHE 39 0.229 -6.638 0.858 103 HE2 PHE 39 HE1 PHE 39 -3.181 -8.749 -0.690 104 HZ PHE 39 HZ PHE 39 -2.157 -6.635 0.050 105 HB2 PHE 39 2HB PHE 39 1.675 -10.926 -0.431 106 HB3 PHE 39 3HB PHE 39 0.240 -11.915 -0.527 107 HA PRO 40 HA PRO 40 4.242 -14.212 0.563 108 HB2 PRO 40 2HB PRO 40 3.472 -16.473 -0.826 109 HB3 PRO 40 3HB PRO 40 3.201 -16.341 0.932 110 HG2 PRO 40 2HG PRO 40 1.235 -15.705 -1.300 111 HG3 PRO 40 3HG PRO 40 0.966 -16.741 0.135 112 HD2 PRO 40 2HD PRO 40 0.219 -14.104 -0.003 113 HD3 PRO 40 3HD PRO 40 0.747 -14.867 1.532 114 H LEU 41 H LEU 41 5.120 -15.172 -1.740 115 HA LEU 41 HA LEU 41 5.303 -12.967 -3.495 116 HG LEU 41 HG LEU 41 7.764 -13.420 -3.678 117 HB2 LEU 41 2HB LEU 41 6.015 -15.910 -3.787 118 HB3 LEU 41 3HB LEU 41 6.304 -14.727 -5.057 119 HD11 LEU 41 1HD1 LEU 41 7.043 -13.838 -1.393 120 HD12 LEU 41 2HD1 LEU 41 7.400 -15.580 -1.563 121 HD13 LEU 41 3HD1 LEU 41 8.707 -14.380 -1.564 122 HD21 LEU 41 3HD2 LEU 41 8.528 -16.360 -3.745 123 HD22 LEU 41 1HD2 LEU 41 8.651 -15.216 -5.101 124 HD23 LEU 41 2HD2 LEU 41 9.650 -14.981 -3.661 125 H ASP 42 H ASP 42 2.751 -15.234 -3.364 126 HA ASP 42 HA ASP 42 1.731 -15.156 -6.006 127 HB2 ASP 42 2HB ASP 42 0.221 -15.342 -3.382 128 HB3 ASP 42 3HB ASP 42 -0.368 -15.821 -4.972 129 H VAL 43 H VAL 43 1.682 -12.590 -3.520 130 HA VAL 43 HA VAL 43 -0.402 -11.033 -4.837 131 HB VAL 43 HB VAL 43 0.355 -10.606 -2.497 132 HG11 VAL 43 1HG1 VAL 43 2.831 -10.555 -2.955 133 HG12 VAL 43 2HG1 VAL 43 2.598 -9.011 -3.799 134 HG13 VAL 43 3HG1 VAL 43 2.230 -9.138 -2.071 135 HG21 VAL 43 3HG2 VAL 43 -0.014 -8.201 -2.573 136 HG22 VAL 43 1HG2 VAL 43 0.298 -8.149 -4.309 137 HG23 VAL 43 2HG2 VAL 43 -1.104 -9.024 -3.683 138 H GLN 44 H GLN 44 -0.092 -9.168 -6.133 139 HA GLN 44 HA GLN 44 2.280 -8.262 -7.253 140 HB2 GLN 44 2HB GLN 44 1.970 -9.185 -9.668 141 HB3 GLN 44 3HB GLN 44 2.827 -10.092 -8.480 142 HG2 GLN 44 2HG GLN 44 0.231 -11.162 -8.237 143 HG3 GLN 44 3HG GLN 44 0.349 -10.758 -9.943 144 HE21 GLN 44 1HE2 GLN 44 2.565 -12.170 -7.404 145 HE22 GLN 44 2HE2 GLN 44 3.071 -13.510 -8.414 146 H GLU 45 H GLU 45 1.687 -7.153 -9.512 147 HA GLU 45 HA GLU 45 0.090 -5.014 -8.796 148 HB2 GLU 45 2HB GLU 45 1.824 -5.088 -10.573 149 HB3 GLU 45 3HB GLU 45 0.745 -6.054 -11.581 150 HG2 GLU 45 2HG GLU 45 0.736 -3.779 -12.346 151 HG3 GLU 45 3HG GLU 45 -0.848 -4.160 -11.696 152 H SER 46 H SER 46 -1.103 -8.043 -10.300 153 HA SER 46 HA SER 46 -3.702 -6.998 -10.982 154 HG SER 46 HG SER 46 -2.605 -10.922 -10.725 155 HB2 SER 46 2HB SER 46 -4.312 -9.463 -11.004 156 HB3 SER 46 3HB SER 46 -2.963 -9.000 -12.055 157 H GLU 47 H GLU 47 -2.365 -8.164 -7.883 158 HA GLU 47 HA GLU 47 -5.010 -8.683 -6.629 159 HB2 GLU 47 2HB GLU 47 -2.069 -9.012 -5.942 160 HB3 GLU 47 3HB GLU 47 -3.143 -8.598 -4.658 161 HG2 GLU 47 3HG GLU 47 -4.561 -10.577 -5.627 162 HG3 GLU 47 2HG GLU 47 -2.982 -11.127 -6.295 163 H LEU 48 H LEU 48 -2.231 -6.478 -6.652 164 HA LEU 48 HA LEU 48 -3.316 -4.548 -4.821 165 HG LEU 48 HG LEU 48 -1.053 -5.895 -4.633 166 HB2 LEU 48 2HB LEU 48 -1.187 -4.390 -6.978 167 HB3 LEU 48 3HB LEU 48 -1.493 -3.177 -5.844 168 HD11 LEU 48 1HD1 LEU 48 1.245 -6.064 -4.916 169 HD12 LEU 48 2HD1 LEU 48 0.719 -5.626 -6.547 170 HD13 LEU 48 3HD1 LEU 48 1.415 -4.405 -5.492 171 HD21 LEU 48 3HD2 LEU 48 0.234 -3.206 -4.149 172 HD22 LEU 48 1HD2 LEU 48 -1.277 -3.741 -3.400 173 HD23 LEU 48 2HD2 LEU 48 0.202 -4.647 -3.063 174 H ASN 49 H ASN 49 -3.592 -5.007 -8.373 175 HA ASN 49 HA ASN 49 -5.175 -2.633 -8.825 176 HB2 ASN 49 2HB ASN 49 -4.734 -5.169 -10.354 177 HB3 ASN 49 3HB ASN 49 -6.244 -4.344 -10.670 178 HD21 ASN 49 2HD2 ASN 49 -2.743 -3.617 -10.427 179 HD22 ASN 49 1HD2 ASN 49 -2.774 -2.486 -11.767 180 H GLU 50 H GLU 50 -6.236 -5.974 -7.994 181 HA GLU 50 HA GLU 50 -9.037 -5.484 -7.940 182 HB2 GLU 50 2HB GLU 50 -7.192 -7.394 -6.529 183 HB3 GLU 50 3HB GLU 50 -8.898 -7.354 -6.093 184 HG2 GLU 50 2HG GLU 50 -9.524 -7.794 -8.444 185 HG3 GLU 50 3HG GLU 50 -7.838 -7.755 -8.943 186 H ILE 51 H ILE 51 -6.597 -4.914 -5.418 187 HA ILE 51 HA ILE 51 -8.616 -4.128 -3.429 188 HB ILE 51 HB ILE 51 -5.625 -4.298 -3.511 189 HG12 ILE 51 2HG1 ILE 51 -7.525 -6.032 -1.899 190 HG13 ILE 51 3HG1 ILE 51 -6.981 -6.445 -3.517 191 HG21 ILE 51 1HG2 ILE 51 -6.191 -2.532 -1.857 192 HG22 ILE 51 2HG2 ILE 51 -7.420 -3.596 -1.147 193 HG23 ILE 51 3HG2 ILE 51 -5.687 -3.977 -0.996 194 HD11 ILE 51 3HD1 ILE 51 -5.247 -6.203 -1.043 195 HD12 ILE 51 1HD1 ILE 51 -5.524 -7.612 -2.077 196 HD13 ILE 51 2HD1 ILE 51 -4.576 -6.256 -2.691 197 H PHE 52 H PHE 52 -6.118 -2.392 -5.354 198 HA PHE 52 HA PHE 52 -6.684 0.154 -3.993 199 HD1 PHE 52 HD2 PHE 52 -4.478 -2.633 -3.973 200 HD2 PHE 52 HD1 PHE 52 -3.626 1.515 -3.235 201 HE1 PHE 52 HE2 PHE 52 -2.962 -3.304 -2.173 202 HE2 PHE 52 HE1 PHE 52 -1.934 0.822 -1.604 203 HZ PHE 52 HZ PHE 52 -1.428 -1.598 -1.270 204 HB2 PHE 52 2HB PHE 52 -4.539 -0.691 -5.837 205 HB3 PHE 52 3HB PHE 52 -4.708 0.926 -5.203 206 H GLY 53 H GLY 53 -7.180 -1.367 -7.130 207 HA2 GLY 53 2HA GLY 53 -7.544 0.780 -8.892 208 HA3 GLY 53 3HA GLY 53 -8.443 -0.741 -8.911 209 HA PRO 54 HA PRO 54 -12.060 1.334 -7.043 210 HB2 PRO 54 2HB PRO 54 -11.405 0.850 -4.146 211 HB3 PRO 54 3HB PRO 54 -12.933 0.544 -5.026 212 HG2 PRO 54 2HG PRO 54 -11.294 -1.513 -4.396 213 HG3 PRO 54 3HG PRO 54 -12.024 -1.443 -6.040 214 HD2 PRO 54 2HD PRO 54 -9.318 -0.424 -5.152 215 HD3 PRO 54 3HD PRO 54 -9.626 -1.586 -6.458 216 H PHE 55 H PHE 55 -8.969 2.204 -5.449 217 HA PHE 55 HA PHE 55 -9.975 4.759 -4.440 218 HD1 PHE 55 HD1 PHE 55 -9.997 2.826 -2.890 219 HD2 PHE 55 HD2 PHE 55 -5.731 2.974 -3.241 220 HE1 PHE 55 HE1 PHE 55 -9.831 0.760 -1.535 221 HE2 PHE 55 HE2 PHE 55 -5.546 1.040 -1.614 222 HZ PHE 55 HZ PHE 55 -7.618 -0.114 -0.882 223 HB2 PHE 55 2HB PHE 55 -7.053 4.087 -4.734 224 HB3 PHE 55 3HB PHE 55 -7.833 5.132 -3.602 225 H GLY 56 H GLY 56 -7.709 3.644 -6.978 226 HA2 GLY 56 2HA GLY 56 -8.438 4.533 -9.148 227 HA3 GLY 56 3HA GLY 56 -8.343 6.147 -8.453 228 HA PRO 57 HA PRO 57 -4.667 6.964 -10.193 229 HB2 PRO 57 2HB PRO 57 -2.938 8.157 -8.386 230 HB3 PRO 57 3HB PRO 57 -4.443 8.883 -9.023 231 HG2 PRO 57 2HG PRO 57 -4.040 7.405 -6.420 232 HG3 PRO 57 3HG PRO 57 -4.913 8.944 -6.701 233 HD2 PRO 57 2HD PRO 57 -6.219 6.569 -6.483 234 HD3 PRO 57 3HD PRO 57 -6.770 7.829 -7.627 235 H MET 58 H MET 58 -3.783 4.993 -7.459 236 HA MET 58 HA MET 58 -1.758 3.842 -6.941 237 HB2 MET 58 2HB MET 58 -2.234 2.588 -9.584 238 HB3 MET 58 3HB MET 58 -1.656 1.850 -8.104 239 HG2 MET 58 2HG MET 58 -3.954 2.202 -7.089 240 HG3 MET 58 3HG MET 58 -4.521 2.737 -8.673 241 HE1 MET 58 3HE MET 58 -3.044 -1.476 -7.573 242 HE2 MET 58 1HE MET 58 -1.886 -0.318 -8.257 243 HE3 MET 58 2HE MET 58 -2.716 0.066 -6.736 244 H LYS 59 H LYS 59 -0.797 6.035 -7.623 245 HA LYS 59 HA LYS 59 0.556 6.493 -9.932 246 HB2 LYS 59 2HB LYS 59 -0.098 7.903 -7.875 247 HB3 LYS 59 3HB LYS 59 1.402 7.324 -7.144 248 HG2 LYS 59 2HG LYS 59 1.313 8.848 -9.744 249 HG3 LYS 59 3HG LYS 59 1.289 9.578 -8.142 250 HD2 LYS 59 2HD LYS 59 3.563 8.140 -9.455 251 HD3 LYS 59 3HD LYS 59 3.387 9.743 -8.763 252 HE2 LYS 59 2HE LYS 59 3.529 9.021 -6.549 253 HE3 LYS 59 3HE LYS 59 3.432 7.303 -7.010 254 HZ1 LYS 59 3HZ LYS 59 5.719 8.024 -6.541 255 HZ2 LYS 59 1HZ LYS 59 5.607 7.462 -8.049 256 HZ3 LYS 59 2HZ LYS 59 5.680 9.082 -7.795 257 H GLU 60 H GLU 60 1.517 4.509 -7.266 258 HA GLU 60 HA GLU 60 3.455 3.176 -8.856 259 HB2 GLU 60 2HB GLU 60 4.579 5.319 -7.263 260 HB3 GLU 60 3HB GLU 60 5.054 3.795 -6.506 261 HG2 GLU 60 2HG GLU 60 6.052 2.993 -8.545 262 HG3 GLU 60 3HG GLU 60 5.387 4.338 -9.482 263 H VAL 61 H VAL 61 4.367 1.374 -7.993 264 HA VAL 61 HA VAL 61 2.975 0.117 -5.730 265 HB VAL 61 HB VAL 61 2.736 -1.087 -8.534 266 HG11 VAL 61 1HG1 VAL 61 0.749 -1.422 -6.281 267 HG12 VAL 61 2HG1 VAL 61 1.100 -2.481 -7.655 268 HG13 VAL 61 3HG1 VAL 61 2.275 -2.336 -6.320 269 HG21 VAL 61 3HG2 VAL 61 1.574 0.960 -8.950 270 HG22 VAL 61 1HG2 VAL 61 0.397 -0.327 -8.767 271 HG23 VAL 61 2HG2 VAL 61 0.638 0.816 -7.449 272 H LYS 62 H LYS 62 5.191 0.364 -5.117 273 HA LYS 62 HA LYS 62 7.315 -0.951 -6.628 274 HB2 LYS 62 2HB LYS 62 7.306 -0.166 -3.691 275 HB3 LYS 62 3HB LYS 62 8.690 -0.395 -4.736 276 HG2 LYS 62 2HG LYS 62 7.771 1.617 -6.120 277 HG3 LYS 62 3HG LYS 62 6.594 1.834 -4.823 278 HD2 LYS 62 2HD LYS 62 8.161 3.304 -4.057 279 HD3 LYS 62 3HD LYS 62 8.733 1.844 -3.253 280 HE2 LYS 62 2HE LYS 62 10.713 2.589 -4.199 281 HE3 LYS 62 3HE LYS 62 10.142 1.500 -5.470 282 HZ1 LYS 62 3HZ LYS 62 10.798 3.629 -6.426 283 HZ2 LYS 62 1HZ LYS 62 9.169 3.563 -6.561 284 HZ3 LYS 62 2HZ LYS 62 9.845 4.467 -5.401 285 H ILE 63 H ILE 63 7.430 -3.128 -6.768 286 HA ILE 63 HA ILE 63 6.312 -4.802 -4.560 287 HB ILE 63 HB ILE 63 6.017 -5.135 -7.552 288 HG12 ILE 63 2HG1 ILE 63 3.814 -5.208 -5.445 289 HG13 ILE 63 3HG1 ILE 63 4.403 -3.672 -6.036 290 HG21 ILE 63 1HG2 ILE 63 6.496 -7.377 -6.653 291 HG22 ILE 63 2HG2 ILE 63 5.312 -7.145 -5.350 292 HG23 ILE 63 3HG2 ILE 63 4.785 -7.267 -7.044 293 HD11 ILE 63 3HD1 ILE 63 3.124 -5.830 -7.745 294 HD12 ILE 63 1HD1 ILE 63 2.454 -4.257 -7.323 295 HD13 ILE 63 2HD1 ILE 63 3.857 -4.329 -8.384 296 H LEU 64 H LEU 64 7.444 -6.176 -3.654 297 HA LEU 64 HA LEU 64 10.110 -7.060 -4.691 298 HG LEU 64 HG LEU 64 11.384 -4.761 -3.789 299 HB2 LEU 64 2HB LEU 64 9.354 -6.008 -1.937 300 HB3 LEU 64 3HB LEU 64 10.897 -6.699 -2.397 301 HD11 LEU 64 1HD1 LEU 64 9.588 -3.626 -4.615 302 HD12 LEU 64 2HD1 LEU 64 8.630 -3.805 -3.132 303 HD13 LEU 64 3HD1 LEU 64 9.946 -2.615 -3.235 304 HD21 LEU 64 3HD2 LEU 64 11.598 -3.185 -1.857 305 HD22 LEU 64 1HD2 LEU 64 10.573 -4.321 -0.938 306 HD23 LEU 64 2HD2 LEU 64 12.136 -4.851 -1.559 307 H ASN 65 H ASN 65 9.457 -9.155 -5.053 308 HA ASN 65 HA ASN 65 8.628 -11.268 -4.739 309 HB2 ASN 65 2HB ASN 65 10.001 -10.796 -2.053 310 HB3 ASN 65 3HB ASN 65 9.519 -12.373 -2.659 311 HD21 ASN 65 1HD2 ASN 65 12.076 -10.162 -2.578 312 HD22 ASN 65 2HD2 ASN 65 13.015 -10.885 -3.880 313 H GLY 66 H GLY 66 8.052 -10.965 -1.339 314 HA2 GLY 66 2HA GLY 66 5.165 -11.464 -1.640 315 HA3 GLY 66 3HA GLY 66 6.108 -11.511 -0.157 316 H PHE 67 H PHE 67 6.975 -8.563 -1.424 317 HA PHE 67 HA PHE 67 4.903 -7.213 0.247 318 HD1 PHE 67 HD1 PHE 67 5.829 -8.213 2.241 319 HD2 PHE 67 HD2 PHE 67 9.595 -7.485 0.301 320 HE1 PHE 67 HE1 PHE 67 6.892 -9.802 3.788 321 HE2 PHE 67 HE2 PHE 67 10.659 -9.202 1.758 322 HZ PHE 67 HZ PHE 67 9.329 -10.346 3.527 323 HB2 PHE 67 2HB PHE 67 7.709 -6.272 -0.360 324 HB3 PHE 67 3HB PHE 67 6.667 -5.802 0.970 325 H ALA 68 H ALA 68 4.162 -5.255 -0.223 326 HA ALA 68 HA ALA 68 4.778 -3.914 -2.829 327 HB1 ALA 68 1HB ALA 68 2.721 -5.226 -3.043 328 HB2 ALA 68 2HB ALA 68 2.061 -4.385 -1.628 329 HB3 ALA 68 3HB ALA 68 2.441 -3.471 -3.104 330 H PHE 69 H PHE 69 5.080 -1.868 -2.680 331 HA PHE 69 HA PHE 69 4.202 -0.351 -0.305 332 HD1 PHE 69 HD2 PHE 69 7.280 -2.200 -1.979 333 HD2 PHE 69 HD1 PHE 69 7.140 -0.258 1.853 334 HE1 PHE 69 HE2 PHE 69 8.445 -4.110 -0.977 335 HE2 PHE 69 HE1 PHE 69 8.567 -2.066 2.790 336 HZ PHE 69 HZ PHE 69 9.266 -4.007 1.312 337 HB2 PHE 69 2HB PHE 69 6.803 0.337 -1.662 338 HB3 PHE 69 3HB PHE 69 6.216 0.853 -0.099 339 H VAL 70 H VAL 70 2.432 0.088 -1.429 340 HA VAL 70 HA VAL 70 2.539 1.264 -4.128 341 HB VAL 70 HB VAL 70 0.090 1.096 -2.379 342 HG11 VAL 70 1HG1 VAL 70 -0.121 2.207 -4.653 343 HG12 VAL 70 2HG1 VAL 70 0.446 0.631 -5.330 344 HG13 VAL 70 3HG1 VAL 70 -1.082 0.712 -4.453 345 HG21 VAL 70 3HG2 VAL 70 1.354 -0.985 -4.149 346 HG22 VAL 70 1HG2 VAL 70 0.942 -1.180 -2.401 347 HG23 VAL 70 2HG2 VAL 70 -0.353 -1.069 -3.614 348 H GLU 71 H GLU 71 1.795 3.371 -4.585 349 HA GLU 71 HA GLU 71 2.310 5.399 -2.459 350 HB2 GLU 71 2HB GLU 71 4.482 4.538 -3.525 351 HB3 GLU 71 3HB GLU 71 3.872 5.140 -5.063 352 HG2 GLU 71 2HG GLU 71 3.804 7.412 -4.323 353 HG3 GLU 71 3HG GLU 71 4.144 6.966 -2.658 354 H PHE 72 H PHE 72 1.487 7.315 -2.919 355 HA PHE 72 HA PHE 72 0.279 7.885 -5.586 356 HD1 PHE 72 HD1 PHE 72 -1.803 6.464 -5.762 357 HD2 PHE 72 HD2 PHE 72 -1.884 7.313 -1.547 358 HE1 PHE 72 HE1 PHE 72 -3.121 4.385 -5.355 359 HE2 PHE 72 HE2 PHE 72 -3.277 5.292 -1.175 360 HZ PHE 72 HZ PHE 72 -3.820 3.803 -3.059 361 HB2 PHE 72 2HB PHE 72 -0.806 8.796 -2.926 362 HB3 PHE 72 3HB PHE 72 -1.531 8.968 -4.516 363 H GLU 73 H GLU 73 0.219 10.126 -6.145 364 HA GLU 73 HA GLU 73 2.570 11.585 -5.121 365 HB2 GLU 73 2HB GLU 73 2.243 13.099 -6.953 366 HB3 GLU 73 3HB GLU 73 2.338 11.418 -7.466 367 HG2 GLU 73 2HG GLU 73 -0.238 11.425 -7.563 368 HG3 GLU 73 3HG GLU 73 -0.164 13.160 -7.266 369 H GLU 74 H GLU 74 -0.683 11.325 -4.198 370 HA GLU 74 HA GLU 74 -0.548 13.854 -2.669 371 HB2 GLU 74 2HB GLU 74 -2.981 14.266 -3.259 372 HB3 GLU 74 3HB GLU 74 -1.781 14.626 -4.482 373 HG2 GLU 74 2HG GLU 74 -3.770 13.607 -5.463 374 HG3 GLU 74 3HG GLU 74 -2.328 12.649 -5.767 375 H ALA 75 H ALA 75 -2.238 13.976 -0.976 376 HA ALA 75 HA ALA 75 -2.022 11.495 0.565 377 HB1 ALA 75 1HB ALA 75 -2.537 12.948 2.447 378 HB2 ALA 75 2HB ALA 75 -1.261 13.655 1.444 379 HB3 ALA 75 3HB ALA 75 -2.925 14.288 1.348 380 H GLU 76 H GLU 76 -4.563 12.629 -1.423 381 HA GLU 76 HA GLU 76 -6.781 11.995 0.440 382 HB2 GLU 76 2HB GLU 76 -6.711 12.866 -2.476 383 HB3 GLU 76 3HB GLU 76 -8.187 12.431 -1.621 384 HG2 GLU 76 2HG GLU 76 -6.316 14.644 -0.680 385 HG3 GLU 76 3HG GLU 76 -7.671 14.903 -1.766 386 H SER 77 H SER 77 -5.236 10.576 -2.486 387 HA SER 77 HA SER 77 -6.838 8.177 -2.468 388 HG SER 77 HG SER 77 -4.503 6.312 -3.730 389 HB2 SER 77 2HB SER 77 -5.346 8.798 -4.358 390 HB3 SER 77 3HB SER 77 -3.967 8.342 -3.365 391 H ALA 78 H ALA 78 -3.924 9.151 -0.672 392 HA ALA 78 HA ALA 78 -3.554 6.603 0.602 393 HB1 ALA 78 1HB ALA 78 -1.916 8.474 0.357 394 HB2 ALA 78 2HB ALA 78 -2.743 9.318 1.677 395 HB3 ALA 78 3HB ALA 78 -1.986 7.729 1.976 396 H ALA 79 H ALA 79 -5.250 9.597 1.754 397 HA ALA 79 HA ALA 79 -6.235 8.643 4.193 398 HB1 ALA 79 1HB ALA 79 -7.577 10.527 2.218 399 HB2 ALA 79 2HB ALA 79 -7.953 10.369 3.947 400 HB3 ALA 79 3HB ALA 79 -6.366 10.976 3.444 401 H LYS 80 H LYS 80 -7.907 8.394 0.984 402 HA LYS 80 HA LYS 80 -9.947 6.740 2.172 403 HB2 LYS 80 2HB LYS 80 -10.828 6.340 -0.004 404 HB3 LYS 80 3HB LYS 80 -10.315 8.036 0.084 405 HG2 LYS 80 2HG LYS 80 -8.266 7.415 -1.146 406 HG3 LYS 80 3HG LYS 80 -8.842 5.750 -1.313 407 HD2 LYS 80 2HD LYS 80 -10.374 6.329 -2.945 408 HD3 LYS 80 3HD LYS 80 -10.817 7.842 -2.157 409 HE2 LYS 80 2HE LYS 80 -8.773 8.928 -2.933 410 HE3 LYS 80 3HE LYS 80 -8.252 7.442 -3.752 411 HZ1 LYS 80 3HZ LYS 80 -10.015 7.639 -5.292 412 HZ2 LYS 80 1HZ LYS 80 -10.803 8.805 -4.430 413 HZ3 LYS 80 2HZ LYS 80 -9.394 9.135 -5.189 414 H ALA 81 H ALA 81 -6.952 5.869 0.439 415 HA ALA 81 HA ALA 81 -7.409 3.117 0.274 416 HB1 ALA 81 1HB ALA 81 -4.774 4.521 0.811 417 HB2 ALA 81 2HB ALA 81 -4.966 2.836 0.281 418 HB3 ALA 81 3HB ALA 81 -5.491 4.145 -0.772 419 H ILE 82 H ILE 82 -5.957 5.010 2.988 420 HA ILE 82 HA ILE 82 -5.640 3.018 4.885 421 HB ILE 82 HB ILE 82 -6.451 5.904 5.282 422 HG12 ILE 82 2HG1 ILE 82 -3.743 4.909 6.075 423 HG13 ILE 82 3HG1 ILE 82 -4.025 5.070 4.349 424 HG21 ILE 82 1HG2 ILE 82 -5.481 3.966 7.417 425 HG22 ILE 82 2HG2 ILE 82 -5.681 5.712 7.629 426 HG23 ILE 82 3HG2 ILE 82 -7.091 4.712 7.325 427 HD11 ILE 82 3HD1 ILE 82 -4.763 7.403 4.727 428 HD12 ILE 82 1HD1 ILE 82 -4.401 7.258 6.448 429 HD13 ILE 82 2HD1 ILE 82 -3.087 7.138 5.237 430 H GLU 83 H GLU 83 -8.533 5.161 4.578 431 HA GLU 83 HA GLU 83 -10.047 3.672 6.490 432 HB2 GLU 83 2HB GLU 83 -10.925 5.539 4.273 433 HB3 GLU 83 3HB GLU 83 -11.994 4.924 5.547 434 HG2 GLU 83 2HG GLU 83 -9.485 6.614 6.005 435 HG3 GLU 83 3HG GLU 83 -11.145 7.183 6.050 436 H GLU 84 H GLU 84 -9.523 2.995 3.117 437 HA GLU 84 HA GLU 84 -11.782 1.176 2.734 438 HB2 GLU 84 2HB GLU 84 -9.243 1.768 1.172 439 HB3 GLU 84 3HB GLU 84 -10.392 0.548 0.666 440 HG2 GLU 84 2HG GLU 84 -11.387 3.355 1.128 441 HG3 GLU 84 3HG GLU 84 -10.457 3.001 -0.328 442 H VAL 85 H VAL 85 -8.270 0.763 3.426 443 HA VAL 85 HA VAL 85 -8.752 -2.116 4.035 444 HB VAL 85 HB VAL 85 -8.537 -1.934 1.676 445 HG11 VAL 85 1HG1 VAL 85 -6.363 -1.356 0.584 446 HG12 VAL 85 2HG1 VAL 85 -7.248 0.008 1.284 447 HG13 VAL 85 3HG1 VAL 85 -5.849 -0.659 2.122 448 HG21 VAL 85 3HG2 VAL 85 -6.013 -3.258 2.647 449 HG22 VAL 85 1HG2 VAL 85 -7.641 -3.954 2.842 450 HG23 VAL 85 2HG2 VAL 85 -6.987 -3.654 1.227 451 H HIS 86 H HIS 86 -7.062 0.612 5.128 452 HA HIS 86 HA HIS 86 -4.761 -0.765 6.241 453 HD1 HIS 86 HD1 HIS 86 -2.635 1.962 7.030 454 HD2 HIS 86 HD2 HIS 86 -5.313 0.510 9.914 455 HE1 HIS 86 HE1 HIS 86 -1.281 1.696 9.193 456 HB2 HIS 86 2HB HIS 86 -5.028 1.707 6.188 457 HB3 HIS 86 3HB HIS 86 -6.266 1.602 7.429 458 H GLY 87 H GLY 87 -4.888 -2.506 7.588 459 HA2 GLY 87 2HA GLY 87 -4.973 -3.194 9.865 460 HA3 GLY 87 3HA GLY 87 -6.338 -2.118 10.166 461 H LYS 88 H LYS 88 -6.958 -3.464 7.292 462 HA LYS 88 HA LYS 88 -8.866 -5.544 8.140 463 HB2 LYS 88 2HB LYS 88 -7.904 -4.279 5.528 464 HB3 LYS 88 3HB LYS 88 -8.912 -5.646 5.549 465 HG2 LYS 88 2HG LYS 88 -10.270 -3.694 5.169 466 HG3 LYS 88 3HG LYS 88 -10.707 -4.344 6.755 467 HD2 LYS 88 2HD LYS 88 -9.616 -2.572 7.913 468 HD3 LYS 88 3HD LYS 88 -8.627 -2.171 6.510 469 HE2 LYS 88 2HE LYS 88 -10.752 -1.458 5.329 470 HE3 LYS 88 3HE LYS 88 -11.565 -1.573 6.893 471 HZ1 LYS 88 3HZ LYS 88 -9.964 0.068 7.757 472 HZ2 LYS 88 1HZ LYS 88 -9.210 0.170 6.322 473 HZ3 LYS 88 2HZ LYS 88 -10.752 0.685 6.449 474 H SER 89 H SER 89 -8.448 -7.734 7.681 475 HA SER 89 HA SER 89 -5.563 -8.419 7.474 476 HG SER 89 HG SER 89 -6.192 -11.556 8.911 477 HB2 SER 89 2HB SER 89 -6.581 -9.329 9.325 478 HB3 SER 89 3HB SER 89 -7.888 -10.091 8.370 479 H PHE 90 H PHE 90 -4.683 -8.842 5.654 480 HA PHE 90 HA PHE 90 -6.222 -10.461 3.634 481 HD1 PHE 90 HD1 PHE 90 -3.491 -10.947 1.462 482 HD2 PHE 90 HD2 PHE 90 -6.766 -8.144 1.311 483 HE1 PHE 90 HE1 PHE 90 -4.185 -11.865 -0.736 484 HE2 PHE 90 HE2 PHE 90 -7.391 -8.995 -0.927 485 HZ PHE 90 HZ PHE 90 -6.139 -10.903 -1.913 486 HB2 PHE 90 2HB PHE 90 -5.414 -8.168 3.108 487 HB3 PHE 90 3HB PHE 90 -3.776 -8.737 3.172 488 H ALA 91 H ALA 91 -5.413 -12.280 2.837 489 HA ALA 91 HA ALA 91 -4.523 -14.313 2.782 490 HB1 ALA 91 1HB ALA 91 -2.064 -14.492 2.706 491 HB2 ALA 91 2HB ALA 91 -2.682 -13.147 1.735 492 HB3 ALA 91 3HB ALA 91 -1.925 -12.824 3.306 493 H ASN 92 H ASN 92 -3.012 -12.778 5.627 494 HA ASN 92 HA ASN 92 -4.166 -14.729 7.452 495 HB2 ASN 92 2HB ASN 92 -2.120 -15.669 8.281 496 HB3 ASN 92 3HB ASN 92 -2.097 -15.899 6.543 497 HD21 ASN 92 1HD2 ASN 92 -0.789 -14.162 5.281 498 HD22 ASN 92 2HD2 ASN 92 0.614 -13.509 6.061 499 H GLN 93 H GLN 93 -3.002 -11.534 6.883 500 HA GLN 93 HA GLN 93 -3.154 -10.750 9.684 501 HB2 GLN 93 2HB GLN 93 -0.812 -10.092 9.943 502 HB3 GLN 93 3HB GLN 93 -0.921 -11.817 9.652 503 HG2 GLN 93 2HG GLN 93 -0.357 -11.381 7.232 504 HG3 GLN 93 3HG GLN 93 -0.177 -9.673 7.655 505 HE21 GLN 93 1HE2 GLN 93 1.133 -12.927 8.459 506 HE22 GLN 93 2HE2 GLN 93 2.779 -12.336 8.622 507 HA PRO 94 HA PRO 94 -4.163 -7.118 7.724 508 HB2 PRO 94 2HB PRO 94 -3.731 -5.080 9.573 509 HB3 PRO 94 3HB PRO 94 -4.984 -6.343 9.773 510 HG2 PRO 94 2HG PRO 94 -2.142 -6.339 10.866 511 HG3 PRO 94 3HG PRO 94 -3.664 -6.651 11.765 512 HD2 PRO 94 2HD PRO 94 -2.120 -8.655 10.857 513 HD3 PRO 94 3HD PRO 94 -3.903 -8.769 10.717 514 H LEU 95 H LEU 95 -3.907 -5.481 6.571 515 HA LEU 95 HA LEU 95 -1.367 -4.802 5.400 516 HG LEU 95 HG LEU 95 -3.973 -4.283 2.841 517 HB2 LEU 95 2HB LEU 95 -4.185 -3.636 5.326 518 HB3 LEU 95 3HB LEU 95 -2.887 -3.037 4.367 519 HD11 LEU 95 1HD1 LEU 95 -2.822 -6.151 2.162 520 HD12 LEU 95 2HD1 LEU 95 -1.615 -5.160 3.016 521 HD13 LEU 95 3HD1 LEU 95 -2.350 -6.584 3.794 522 HD21 LEU 95 3HD2 LEU 95 -5.229 -6.086 3.012 523 HD22 LEU 95 1HD2 LEU 95 -4.591 -6.550 4.628 524 HD23 LEU 95 2HD2 LEU 95 -5.635 -5.107 4.412 525 H GLU 96 H GLU 96 -0.252 -2.810 5.431 526 HA GLU 96 HA GLU 96 -0.900 -0.886 7.610 527 HB2 GLU 96 2HB GLU 96 0.984 -2.466 8.019 528 HB3 GLU 96 3HB GLU 96 1.884 -1.708 6.703 529 HG2 GLU 96 2HG GLU 96 1.812 0.444 7.840 530 HG3 GLU 96 3HG GLU 96 0.796 -0.222 9.125 531 H VAL 97 H VAL 97 -2.153 -0.512 5.518 532 HA VAL 97 HA VAL 97 -1.057 0.863 3.252 533 HB VAL 97 HB VAL 97 -3.778 0.678 4.559 534 HG11 VAL 97 1HG1 VAL 97 -4.843 1.330 2.467 535 HG12 VAL 97 2HG1 VAL 97 -3.891 2.666 3.121 536 HG13 VAL 97 3HG1 VAL 97 -3.297 1.708 1.748 537 HG21 VAL 97 3HG2 VAL 97 -4.144 -1.223 3.298 538 HG22 VAL 97 1HG2 VAL 97 -3.259 -0.604 1.879 539 HG23 VAL 97 2HG2 VAL 97 -2.384 -1.292 3.231 540 H VAL 98 H VAL 98 0.140 2.918 3.897 541 HA VAL 98 HA VAL 98 -1.444 4.827 5.463 542 HB VAL 98 HB VAL 98 -0.490 2.755 6.810 543 HG11 VAL 98 1HG1 VAL 98 1.404 2.704 7.921 544 HG12 VAL 98 2HG1 VAL 98 1.909 2.943 6.253 545 HG13 VAL 98 3HG1 VAL 98 1.947 4.293 7.467 546 HG21 VAL 98 3HG2 VAL 98 -0.658 4.030 8.800 547 HG22 VAL 98 1HG2 VAL 98 -0.682 5.529 7.814 548 HG23 VAL 98 2HG2 VAL 98 -1.937 4.259 7.587 549 H TYR 99 H TYR 99 1.666 5.265 6.247 550 HA TYR 99 HA TYR 99 2.408 7.019 3.956 551 HD1 TYR 99 HD2 TYR 99 0.563 8.313 4.476 552 HD2 TYR 99 HD1 TYR 99 2.070 8.423 8.516 553 HE1 TYR 99 HE2 TYR 99 -1.580 9.289 5.234 554 HE2 TYR 99 HE1 TYR 99 -0.086 9.406 9.280 555 HH TYR 99 HH TYR 99 -2.796 10.055 7.024 556 HB2 TYR 99 2HB TYR 99 3.232 7.186 6.854 557 HB3 TYR 99 3HB TYR 99 3.458 8.419 5.624 558 H SER 100 H SER 100 2.801 4.102 4.574 559 HA SER 100 HA SER 100 4.198 2.510 5.133 560 HG SER 100 HG SER 100 6.986 2.445 3.548 561 HB2 SER 100 2HB SER 100 4.199 2.373 2.838 562 HB3 SER 100 3HB SER 100 5.289 3.679 2.718 563 H LYS 101 H LYS 101 4.809 2.843 7.147 564 HA LYS 101 HA LYS 101 7.195 3.965 8.195 565 HB2 LYS 101 2HB LYS 101 5.236 3.174 9.490 566 HB3 LYS 101 3HB LYS 101 5.594 1.515 9.011 567 HG2 LYS 101 2HG LYS 101 7.803 1.686 10.236 568 HG3 LYS 101 3HG LYS 101 7.329 3.311 10.740 569 HD2 LYS 101 2HD LYS 101 6.524 2.279 12.568 570 HD3 LYS 101 3HD LYS 101 5.127 1.893 11.576 571 HE2 LYS 101 2HE LYS 101 7.548 0.093 12.090 572 HE3 LYS 101 3HE LYS 101 5.975 -0.022 12.879 573 HZ1 LYS 101 3HZ LYS 101 5.678 -1.529 11.254 574 HZ2 LYS 101 1HZ LYS 101 5.208 -0.257 10.346 575 HZ3 LYS 101 2HZ LYS 101 6.739 -0.915 10.226 576 H LEU 102 H LEU 102 8.960 3.596 6.871 577 HA LEU 102 HA LEU 102 9.902 1.289 5.744 578 HG LEU 102 HG LEU 102 12.925 3.371 4.937 579 HB2 LEU 102 2HB LEU 102 10.710 3.707 5.622 580 HB3 LEU 102 3HB LEU 102 11.688 3.384 7.036 581 HD11 LEU 102 1HD1 LEU 102 12.983 0.519 5.951 582 HD12 LEU 102 2HD1 LEU 102 14.279 1.462 5.219 583 HD13 LEU 102 3HD1 LEU 102 13.692 1.895 6.836 584 HD21 LEU 102 3HD2 LEU 102 11.391 0.877 4.124 585 HD22 LEU 102 1HD2 LEU 102 11.130 2.508 3.459 586 HD23 LEU 102 2HD2 LEU 102 12.688 1.694 3.232 587 HA PRO 103 HA PRO 103 12.268 -0.238 9.603 588 HB2 PRO 103 2HB PRO 103 11.586 0.511 12.142 589 HB3 PRO 103 3HB PRO 103 12.755 1.388 11.120 590 HG2 PRO 103 2HG PRO 103 9.815 2.007 11.516 591 HG3 PRO 103 3HG PRO 103 11.205 3.131 11.619 592 HD2 PRO 103 2HD PRO 103 9.733 2.943 9.380 593 HD3 PRO 103 3HD PRO 103 11.503 3.138 9.277 594 H ALA 104 H ALA 104 11.112 -1.908 8.725 595 HA ALA 104 HA ALA 104 10.351 -3.996 8.948 596 HB1 ALA 104 1HB ALA 104 11.160 -3.923 11.283 597 HB2 ALA 104 2HB ALA 104 9.550 -3.364 11.801 598 HB3 ALA 104 3HB ALA 104 9.734 -4.962 11.071 Start of MODEL 8 1 H GLU 28 H GLU 28 2.521 13.015 8.692 2 HA GLU 28 HA GLU 28 5.214 14.180 9.009 3 HB2 GLU 28 2HB GLU 28 3.784 12.068 10.701 4 HB3 GLU 28 3HB GLU 28 5.478 12.515 10.841 5 HG2 GLU 28 2HG GLU 28 4.419 13.603 12.615 6 HG3 GLU 28 3HG GLU 28 4.801 14.856 11.433 7 H LEU 29 H LEU 29 6.887 12.350 9.023 8 HA LEU 29 HA LEU 29 7.955 10.514 8.252 9 HG LEU 29 HG LEU 29 5.791 7.312 8.131 10 HB2 LEU 29 2HB LEU 29 5.838 9.554 9.319 11 HB3 LEU 29 3HB LEU 29 5.192 9.400 7.732 12 HD11 LEU 29 1HD1 LEU 29 7.599 6.535 6.880 13 HD12 LEU 29 2HD1 LEU 29 7.036 7.972 6.049 14 HD13 LEU 29 3HD1 LEU 29 8.513 8.060 7.043 15 HD21 LEU 29 3HD2 LEU 29 8.265 8.349 9.559 16 HD22 LEU 29 1HD2 LEU 29 6.786 7.671 10.285 17 HD23 LEU 29 2HD2 LEU 29 7.879 6.631 9.362 18 H SER 30 H SER 30 5.210 10.809 6.093 19 HA SER 30 HA SER 30 6.590 11.674 3.730 20 HG SER 30 HG SER 30 7.973 9.618 4.280 21 HB2 SER 30 2HB SER 30 5.650 8.776 3.788 22 HB3 SER 30 3HB SER 30 5.992 9.679 2.302 23 H ASN 31 H ASN 31 3.768 10.695 5.467 24 HA ASN 31 HA ASN 31 1.608 11.138 5.379 25 HB2 ASN 31 2HB ASN 31 1.728 13.020 3.083 26 HB3 ASN 31 3HB ASN 31 0.753 13.066 4.517 27 HD21 ASN 31 2HD2 ASN 31 3.775 14.009 3.073 28 HD22 ASN 31 1HD2 ASN 31 4.252 15.068 4.398 29 H THR 32 H THR 32 2.953 9.856 2.435 30 HA THR 32 HA THR 32 0.215 9.194 1.444 31 HB THR 32 HB THR 32 0.833 9.912 -0.733 32 HG1 THR 32 1HG THR 32 2.820 10.632 -1.241 33 HG21 THR 32 1HG2 THR 32 1.974 12.112 0.982 34 HG22 THR 32 2HG2 THR 32 1.090 12.242 -0.542 35 HG23 THR 32 3HG2 THR 32 0.226 11.754 0.919 36 H ARG 33 H ARG 33 1.957 7.061 2.658 37 HA ARG 33 HA ARG 33 2.628 5.526 0.166 38 HE ARG 33 HE ARG 33 7.047 6.987 -1.022 39 HB2 ARG 33 2HB ARG 33 4.430 5.969 2.501 40 HB3 ARG 33 3HB ARG 33 4.592 4.578 1.418 41 HG2 ARG 33 2HG ARG 33 5.217 5.705 -0.331 42 HG3 ARG 33 3HG ARG 33 4.562 7.283 0.241 43 HD2 ARG 33 2HD ARG 33 6.359 7.545 1.780 44 HD3 ARG 33 3HD ARG 33 6.965 5.903 1.484 45 HH11 ARG 33 2HH2 ARG 33 8.433 8.391 1.920 46 HH12 ARG 33 1HH2 ARG 33 9.773 9.024 1.001 47 HH21 ARG 33 1HH1 ARG 33 8.564 7.899 -2.023 48 HH22 ARG 33 2HH1 ARG 33 9.842 8.810 -1.210 49 H LEU 34 H LEU 34 1.890 3.672 0.048 50 HA LEU 34 HA LEU 34 0.725 2.444 2.458 51 HG LEU 34 HG LEU 34 -2.075 3.142 0.078 52 HB2 LEU 34 2HB LEU 34 0.100 1.770 -0.325 53 HB3 LEU 34 3HB LEU 34 -0.890 1.460 1.054 54 HD11 LEU 34 1HD1 LEU 34 -1.450 4.029 2.369 55 HD12 LEU 34 2HD1 LEU 34 -0.311 5.110 1.560 56 HD13 LEU 34 3HD1 LEU 34 -2.019 5.198 1.189 57 HD21 LEU 34 3HD2 LEU 34 -0.742 5.246 -0.911 58 HD22 LEU 34 1HD2 LEU 34 0.495 4.031 -1.089 59 HD23 LEU 34 2HD2 LEU 34 -1.070 3.759 -1.822 60 H PHE 35 H PHE 35 1.886 1.018 3.369 61 HA PHE 35 HA PHE 35 3.971 -0.459 1.924 62 HD1 PHE 35 HD1 PHE 35 5.626 -1.745 2.282 63 HD2 PHE 35 HD2 PHE 35 5.377 -0.496 6.401 64 HE1 PHE 35 HE1 PHE 35 7.199 -3.522 2.915 65 HE2 PHE 35 HE2 PHE 35 6.961 -2.302 7.030 66 HZ PHE 35 HZ PHE 35 7.856 -3.830 5.292 67 HB2 PHE 35 2HB PHE 35 4.733 0.945 3.626 68 HB3 PHE 35 3HB PHE 35 3.775 0.453 4.814 69 H VAL 36 H VAL 36 3.210 -2.123 1.164 70 HA VAL 36 HA VAL 36 1.084 -3.726 2.520 71 HB VAL 36 HB VAL 36 1.448 -2.479 -0.207 72 HG11 VAL 36 1HG1 VAL 36 -0.954 -3.188 -0.588 73 HG12 VAL 36 2HG1 VAL 36 0.423 -4.164 -1.018 74 HG13 VAL 36 3HG1 VAL 36 -0.502 -4.538 0.491 75 HG21 VAL 36 3HG2 VAL 36 -1.046 -2.273 1.526 76 HG22 VAL 36 1HG2 VAL 36 0.323 -1.296 2.011 77 HG23 VAL 36 2HG2 VAL 36 -0.348 -1.037 0.416 78 H ARG 37 H ARG 37 2.359 -5.243 3.176 79 HA ARG 37 HA ARG 37 3.883 -6.897 1.191 80 HE ARG 37 HE ARG 37 4.017 -6.736 7.200 81 HB2 ARG 37 2HB ARG 37 5.695 -7.084 2.840 82 HB3 ARG 37 3HB ARG 37 5.326 -5.440 2.411 83 HG2 ARG 37 2HG ARG 37 5.724 -5.268 4.630 84 HG3 ARG 37 3HG ARG 37 3.966 -5.332 4.614 85 HD2 ARG 37 2HD ARG 37 4.059 -7.717 5.099 86 HD3 ARG 37 3HD ARG 37 5.820 -7.731 5.078 87 HH11 ARG 37 2HH2 ARG 37 7.390 -6.654 6.160 88 HH12 ARG 37 1HH2 ARG 37 7.877 -5.943 7.696 89 HH21 ARG 37 1HH1 ARG 37 4.788 -5.619 8.991 90 HH22 ARG 37 2HH1 ARG 37 6.489 -5.187 9.051 91 HA PRO 38 HA PRO 38 1.712 -9.842 4.298 92 HB2 PRO 38 2HB PRO 38 -0.842 -10.288 3.461 93 HB3 PRO 38 3HB PRO 38 -0.460 -8.871 4.496 94 HG2 PRO 38 2HG PRO 38 -0.682 -8.890 1.500 95 HG3 PRO 38 3HG PRO 38 -1.524 -7.854 2.663 96 HD2 PRO 38 2HD PRO 38 0.755 -6.997 1.518 97 HD3 PRO 38 3HD PRO 38 0.492 -6.709 3.262 98 H PHE 39 H PHE 39 1.333 -9.508 0.837 99 HA PHE 39 HA PHE 39 0.658 -12.243 0.301 100 HD1 PHE 39 HD2 PHE 39 1.989 -8.315 -0.954 101 HD2 PHE 39 HD1 PHE 39 -1.947 -10.120 -1.129 102 HE1 PHE 39 HE2 PHE 39 0.972 -6.135 -0.977 103 HE2 PHE 39 HE1 PHE 39 -2.965 -7.863 -1.103 104 HZ PHE 39 HZ PHE 39 -1.531 -5.860 -1.087 105 HB2 PHE 39 2HB PHE 39 1.497 -10.659 -2.002 106 HB3 PHE 39 3HB PHE 39 -0.022 -11.444 -1.669 107 HA PRO 40 HA PRO 40 4.705 -13.553 -1.171 108 HB2 PRO 40 2HB PRO 40 4.018 -15.583 -2.943 109 HB3 PRO 40 3HB PRO 40 3.827 -15.753 -1.188 110 HG2 PRO 40 2HG PRO 40 1.734 -14.911 -3.222 111 HG3 PRO 40 3HG PRO 40 1.585 -16.165 -1.951 112 HD2 PRO 40 2HD PRO 40 0.655 -13.615 -1.641 113 HD3 PRO 40 3HD PRO 40 1.329 -14.543 -0.269 114 H LEU 41 H LEU 41 5.474 -14.264 -3.650 115 HA LEU 41 HA LEU 41 5.895 -11.938 -5.114 116 HG LEU 41 HG LEU 41 8.218 -14.872 -6.019 117 HB2 LEU 41 2HB LEU 41 5.773 -14.733 -6.284 118 HB3 LEU 41 3HB LEU 41 6.689 -13.343 -6.868 119 HD11 LEU 41 1HD1 LEU 41 7.909 -12.716 -3.902 120 HD12 LEU 41 2HD1 LEU 41 9.386 -13.626 -4.292 121 HD13 LEU 41 3HD1 LEU 41 8.687 -12.532 -5.504 122 HD21 LEU 41 3HD2 LEU 41 8.303 -15.916 -3.934 123 HD22 LEU 41 1HD2 LEU 41 7.049 -14.906 -3.228 124 HD23 LEU 41 2HD2 LEU 41 6.629 -16.121 -4.465 125 H ASP 42 H ASP 42 3.080 -13.968 -5.207 126 HA ASP 42 HA ASP 42 2.127 -13.399 -7.802 127 HB2 ASP 42 2HB ASP 42 0.601 -14.221 -5.293 128 HB3 ASP 42 3HB ASP 42 0.004 -14.362 -6.948 129 H VAL 43 H VAL 43 2.031 -11.202 -5.061 130 HA VAL 43 HA VAL 43 -0.264 -9.682 -6.116 131 HB VAL 43 HB VAL 43 0.401 -9.389 -3.773 132 HG11 VAL 43 1HG1 VAL 43 2.842 -7.893 -4.846 133 HG12 VAL 43 2HG1 VAL 43 2.299 -7.913 -3.178 134 HG13 VAL 43 3HG1 VAL 43 2.857 -9.413 -3.918 135 HG21 VAL 43 3HG2 VAL 43 -0.933 -7.676 -4.975 136 HG22 VAL 43 1HG2 VAL 43 0.082 -6.964 -3.724 137 HG23 VAL 43 2HG2 VAL 43 0.554 -6.816 -5.410 138 H GLN 44 H GLN 44 -0.202 -7.903 -7.477 139 HA GLN 44 HA GLN 44 2.279 -7.056 -8.771 140 HB2 GLN 44 2HB GLN 44 0.100 -8.476 -10.370 141 HB3 GLN 44 3HB GLN 44 1.462 -7.631 -11.072 142 HG2 GLN 44 2HG GLN 44 1.679 -10.156 -9.369 143 HG3 GLN 44 3HG GLN 44 1.646 -10.109 -11.115 144 HE21 GLN 44 1HE2 GLN 44 3.824 -10.585 -8.709 145 HE22 GLN 44 2HE2 GLN 44 5.224 -9.974 -9.547 146 H GLU 45 H GLU 45 1.657 -5.404 -10.558 147 HA GLU 45 HA GLU 45 0.213 -3.338 -9.317 148 HB2 GLU 45 2HB GLU 45 1.885 -3.321 -11.386 149 HB3 GLU 45 3HB GLU 45 0.390 -3.429 -12.327 150 HG2 GLU 45 2HG GLU 45 -0.297 -1.423 -10.597 151 HG3 GLU 45 3HG GLU 45 1.444 -1.216 -10.574 152 H SER 46 H SER 46 -1.084 -5.886 -11.473 153 HA SER 46 HA SER 46 -3.668 -4.785 -11.920 154 HG SER 46 HG SER 46 -2.290 -8.222 -11.150 155 HB2 SER 46 2HB SER 46 -4.210 -7.393 -12.011 156 HB3 SER 46 3HB SER 46 -3.278 -6.576 -13.262 157 H GLU 47 H GLU 47 -2.388 -6.441 -8.993 158 HA GLU 47 HA GLU 47 -5.042 -7.050 -7.874 159 HB2 GLU 47 2HB GLU 47 -2.085 -7.485 -7.254 160 HB3 GLU 47 3HB GLU 47 -3.231 -7.557 -5.968 161 HG2 GLU 47 2HG GLU 47 -2.781 -9.777 -6.894 162 HG3 GLU 47 3HG GLU 47 -4.479 -9.321 -7.100 163 H LEU 48 H LEU 48 -2.221 -4.940 -7.486 164 HA LEU 48 HA LEU 48 -3.264 -3.311 -5.358 165 HG LEU 48 HG LEU 48 -0.930 -4.768 -5.569 166 HB2 LEU 48 2HB LEU 48 -1.181 -2.838 -7.512 167 HB3 LEU 48 3HB LEU 48 -1.414 -1.837 -6.175 168 HD11 LEU 48 1HD1 LEU 48 1.420 -4.646 -5.784 169 HD12 LEU 48 2HD1 LEU 48 0.779 -4.095 -7.331 170 HD13 LEU 48 3HD1 LEU 48 1.374 -2.917 -6.145 171 HD21 LEU 48 3HD2 LEU 48 -1.194 -3.178 -3.772 172 HD22 LEU 48 1HD2 LEU 48 0.447 -3.821 -3.829 173 HD23 LEU 48 2HD2 LEU 48 0.123 -2.154 -4.449 174 H ASN 49 H ASN 49 -3.555 -3.192 -8.935 175 HA ASN 49 HA ASN 49 -5.038 -0.706 -9.006 176 HB2 ASN 49 2HB ASN 49 -4.632 -2.962 -10.947 177 HB3 ASN 49 3HB ASN 49 -6.057 -1.972 -11.169 178 HD21 ASN 49 2HD2 ASN 49 -2.540 -1.709 -10.796 179 HD22 ASN 49 1HD2 ASN 49 -2.359 -0.369 -11.915 180 H GLU 50 H GLU 50 -6.198 -4.116 -8.689 181 HA GLU 50 HA GLU 50 -8.987 -3.445 -8.540 182 HB2 GLU 50 2HB GLU 50 -7.298 -5.740 -7.581 183 HB3 GLU 50 3HB GLU 50 -8.976 -5.607 -7.039 184 HG2 GLU 50 2HG GLU 50 -9.626 -5.374 -9.506 185 HG3 GLU 50 3HG GLU 50 -7.972 -5.843 -9.912 186 H ILE 51 H ILE 51 -6.520 -3.565 -5.958 187 HA ILE 51 HA ILE 51 -8.504 -3.134 -3.847 188 HB ILE 51 HB ILE 51 -5.514 -3.340 -3.984 189 HG12 ILE 51 2HG1 ILE 51 -7.487 -5.255 -2.687 190 HG13 ILE 51 3HG1 ILE 51 -6.948 -5.396 -4.355 191 HG21 ILE 51 1HG2 ILE 51 -5.494 -3.451 -1.467 192 HG22 ILE 51 2HG2 ILE 51 -6.014 -1.872 -2.035 193 HG23 ILE 51 3HG2 ILE 51 -7.225 -3.040 -1.471 194 HD11 ILE 51 3HD1 ILE 51 -4.556 -5.529 -3.526 195 HD12 ILE 51 1HD1 ILE 51 -5.207 -5.666 -1.880 196 HD13 ILE 51 2HD1 ILE 51 -5.597 -6.891 -3.096 197 H PHE 52 H PHE 52 -6.096 -1.082 -5.496 198 HA PHE 52 HA PHE 52 -6.617 1.177 -3.670 199 HD1 PHE 52 HD1 PHE 52 -4.417 -1.588 -4.240 200 HD2 PHE 52 HD2 PHE 52 -3.480 2.297 -2.687 201 HE1 PHE 52 HE1 PHE 52 -2.885 -2.630 -2.637 202 HE2 PHE 52 HE2 PHE 52 -1.786 1.266 -1.227 203 HZ PHE 52 HZ PHE 52 -1.358 -1.178 -1.353 204 HB2 PHE 52 2HB PHE 52 -4.489 0.698 -5.677 205 HB3 PHE 52 3HB PHE 52 -4.638 2.153 -4.724 206 H GLY 53 H GLY 53 -7.204 0.242 -7.005 207 HA2 GLY 53 2HA GLY 53 -7.704 2.676 -8.307 208 HA3 GLY 53 3HA GLY 53 -8.558 1.157 -8.586 209 HA PRO 54 HA PRO 54 -12.156 2.722 -6.242 210 HB2 PRO 54 2HB PRO 54 -11.384 1.765 -3.504 211 HB3 PRO 54 3HB PRO 54 -12.924 1.541 -4.382 212 HG2 PRO 54 2HG PRO 54 -11.172 -0.510 -4.153 213 HG3 PRO 54 3HG PRO 54 -11.966 -0.198 -5.744 214 HD2 PRO 54 2HD PRO 54 -9.274 0.787 -4.776 215 HD3 PRO 54 3HD PRO 54 -9.590 -0.148 -6.254 216 H PHE 55 H PHE 55 -9.032 3.391 -4.647 217 HA PHE 55 HA PHE 55 -10.028 5.655 -3.116 218 HD1 PHE 55 HD2 PHE 55 -9.925 3.621 -1.959 219 HD2 PHE 55 HD1 PHE 55 -5.669 3.755 -2.551 220 HE1 PHE 55 HE2 PHE 55 -9.719 1.397 -0.889 221 HE2 PHE 55 HE1 PHE 55 -5.444 1.617 -1.236 222 HZ PHE 55 HZ PHE 55 -7.495 0.419 -0.500 223 HB2 PHE 55 2HB PHE 55 -7.097 5.165 -3.761 224 HB3 PHE 55 3HB PHE 55 -7.803 5.997 -2.433 225 H GLY 56 H GLY 56 -8.101 5.124 -6.006 226 HA2 GLY 56 2HA GLY 56 -8.883 6.284 -7.951 227 HA3 GLY 56 3HA GLY 56 -8.945 7.779 -7.005 228 HA PRO 57 HA PRO 57 -4.708 8.691 -8.260 229 HB2 PRO 57 2HB PRO 57 -4.091 9.370 -5.411 230 HB3 PRO 57 3HB PRO 57 -3.932 10.372 -6.886 231 HG2 PRO 57 2HG PRO 57 -5.920 10.871 -5.131 232 HG3 PRO 57 3HG PRO 57 -6.188 10.970 -6.894 233 HD2 PRO 57 2HD PRO 57 -6.844 8.658 -5.052 234 HD3 PRO 57 3HD PRO 57 -7.873 9.440 -6.268 235 H MET 58 H MET 58 -2.889 7.471 -8.467 236 HA MET 58 HA MET 58 -1.733 5.591 -6.480 237 HB2 MET 58 2HB MET 58 -2.512 4.556 -9.143 238 HB3 MET 58 3HB MET 58 -1.783 3.706 -7.799 239 HG2 MET 58 2HG MET 58 -3.887 3.922 -6.486 240 HG3 MET 58 3HG MET 58 -4.664 4.679 -7.877 241 HE1 MET 58 3HE MET 58 -2.064 1.602 -8.251 242 HE2 MET 58 1HE MET 58 -2.713 1.682 -6.595 243 HE3 MET 58 2HE MET 58 -3.152 0.323 -7.666 244 H LYS 59 H LYS 59 -0.716 7.764 -7.109 245 HA LYS 59 HA LYS 59 0.670 8.184 -9.460 246 HB2 LYS 59 2HB LYS 59 0.548 9.963 -8.081 247 HB3 LYS 59 3HB LYS 59 0.987 9.055 -6.638 248 HG2 LYS 59 2HG LYS 59 3.067 9.683 -8.710 249 HG3 LYS 59 3HG LYS 59 2.455 10.863 -7.552 250 HD2 LYS 59 2HD LYS 59 3.128 8.331 -6.228 251 HD3 LYS 59 3HD LYS 59 4.488 9.052 -7.029 252 HE2 LYS 59 2HE LYS 59 2.938 11.097 -5.656 253 HE3 LYS 59 3HE LYS 59 3.306 9.764 -4.550 254 HZ1 LYS 59 3HZ LYS 59 5.652 10.003 -5.060 255 HZ2 LYS 59 1HZ LYS 59 5.365 11.232 -6.115 256 HZ3 LYS 59 2HZ LYS 59 5.071 11.435 -4.519 257 H GLU 60 H GLU 60 1.571 5.898 -6.983 258 HA GLU 60 HA GLU 60 3.490 4.682 -8.736 259 HB2 GLU 60 2HB GLU 60 4.565 6.606 -6.798 260 HB3 GLU 60 3HB GLU 60 5.182 4.997 -6.471 261 HG2 GLU 60 2HG GLU 60 5.222 6.066 -9.320 262 HG3 GLU 60 3HG GLU 60 6.352 6.662 -8.124 263 H VAL 61 H VAL 61 4.531 2.927 -7.953 264 HA VAL 61 HA VAL 61 3.112 1.301 -5.977 265 HB VAL 61 HB VAL 61 2.858 0.391 -8.887 266 HG11 VAL 61 1HG1 VAL 61 0.940 -0.109 -6.595 267 HG12 VAL 61 2HG1 VAL 61 1.210 -1.066 -8.045 268 HG13 VAL 61 3HG1 VAL 61 2.451 -1.019 -6.762 269 HG21 VAL 61 3HG2 VAL 61 0.689 2.095 -7.639 270 HG22 VAL 61 1HG2 VAL 61 1.652 2.473 -9.077 271 HG23 VAL 61 2HG2 VAL 61 0.546 1.102 -9.100 272 H LYS 62 H LYS 62 5.325 1.478 -5.351 273 HA LYS 62 HA LYS 62 7.452 0.275 -6.961 274 HB2 LYS 62 2HB LYS 62 7.269 0.844 -3.992 275 HB3 LYS 62 3HB LYS 62 8.754 0.537 -4.846 276 HG2 LYS 62 2HG LYS 62 7.108 2.851 -5.888 277 HG3 LYS 62 3HG LYS 62 7.677 3.011 -4.250 278 HD2 LYS 62 2HD LYS 62 9.215 3.985 -6.014 279 HD3 LYS 62 3HD LYS 62 9.995 2.791 -4.984 280 HE2 LYS 62 2HE LYS 62 10.727 2.416 -7.237 281 HE3 LYS 62 3HE LYS 62 9.723 1.059 -6.741 282 HZ1 LYS 62 3HZ LYS 62 9.115 1.766 -8.969 283 HZ2 LYS 62 1HZ LYS 62 7.852 2.191 -8.001 284 HZ3 LYS 62 2HZ LYS 62 8.863 3.316 -8.500 285 H ILE 63 H ILE 63 7.564 -1.849 -7.313 286 HA ILE 63 HA ILE 63 6.456 -3.722 -5.283 287 HB ILE 63 HB ILE 63 6.111 -3.839 -8.281 288 HG12 ILE 63 2HG1 ILE 63 4.013 -3.862 -6.053 289 HG13 ILE 63 3HG1 ILE 63 4.574 -2.376 -6.781 290 HG21 ILE 63 1HG2 ILE 63 6.564 -6.131 -7.473 291 HG22 ILE 63 2HG2 ILE 63 5.373 -5.929 -6.169 292 HG23 ILE 63 3HG2 ILE 63 4.858 -5.971 -7.871 293 HD11 ILE 63 3HD1 ILE 63 3.856 -3.276 -9.049 294 HD12 ILE 63 1HD1 ILE 63 2.998 -4.555 -8.134 295 HD13 ILE 63 2HD1 ILE 63 2.591 -2.856 -7.903 296 H LEU 64 H LEU 64 7.710 -5.050 -4.477 297 HA LEU 64 HA LEU 64 10.419 -5.648 -5.641 298 HG LEU 64 HG LEU 64 11.513 -3.447 -4.480 299 HB2 LEU 64 2HB LEU 64 9.591 -5.044 -2.778 300 HB3 LEU 64 3HB LEU 64 11.181 -5.571 -3.304 301 HD11 LEU 64 1HD1 LEU 64 9.599 -2.403 -5.123 302 HD12 LEU 64 2HD1 LEU 64 8.710 -2.854 -3.656 303 HD13 LEU 64 3HD1 LEU 64 9.896 -1.530 -3.622 304 HD21 LEU 64 3HD2 LEU 64 12.318 -3.753 -2.264 305 HD22 LEU 64 1HD2 LEU 64 11.690 -2.097 -2.393 306 HD23 LEU 64 2HD2 LEU 64 10.737 -3.366 -1.580 307 H ASN 65 H ASN 65 10.003 -7.719 -6.290 308 HA ASN 65 HA ASN 65 9.443 -9.926 -6.299 309 HB2 ASN 65 2HB ASN 65 10.404 -9.774 -3.412 310 HB3 ASN 65 3HB ASN 65 10.263 -11.240 -4.362 311 HD21 ASN 65 1HD2 ASN 65 12.495 -9.069 -3.296 312 HD22 ASN 65 2HD2 ASN 65 13.667 -9.236 -4.590 313 H GLY 66 H GLY 66 8.419 -9.791 -2.924 314 HA2 GLY 66 2HA GLY 66 5.576 -10.310 -3.683 315 HA3 GLY 66 3HA GLY 66 6.359 -10.847 -2.206 316 H PHE 67 H PHE 67 7.325 -7.623 -2.711 317 HA PHE 67 HA PHE 67 5.237 -6.675 -0.785 318 HD1 PHE 67 HD1 PHE 67 6.080 -8.041 0.970 319 HD2 PHE 67 HD2 PHE 67 9.873 -6.938 -0.735 320 HE1 PHE 67 HE1 PHE 67 7.100 -9.990 2.062 321 HE2 PHE 67 HE2 PHE 67 10.900 -8.975 0.269 322 HZ PHE 67 HZ PHE 67 9.531 -10.493 1.696 323 HB2 PHE 67 2HB PHE 67 8.021 -5.602 -1.146 324 HB3 PHE 67 3HB PHE 67 6.940 -5.417 0.221 325 H ALA 68 H ALA 68 4.427 -4.612 -0.940 326 HA ALA 68 HA ALA 68 4.892 -3.006 -3.428 327 HB1 ALA 68 1HB ALA 68 2.549 -2.599 -3.519 328 HB2 ALA 68 2HB ALA 68 2.921 -4.330 -3.686 329 HB3 ALA 68 3HB ALA 68 2.275 -3.704 -2.150 330 H PHE 69 H PHE 69 5.131 -0.966 -3.147 331 HA PHE 69 HA PHE 69 4.366 0.352 -0.637 332 HD1 PHE 69 HD2 PHE 69 7.323 -1.420 -2.432 333 HD2 PHE 69 HD1 PHE 69 7.503 0.482 1.417 334 HE1 PHE 69 HE2 PHE 69 8.518 -3.372 -1.544 335 HE2 PHE 69 HE1 PHE 69 8.933 -1.393 2.247 336 HZ PHE 69 HZ PHE 69 9.453 -3.342 0.700 337 HB2 PHE 69 2HB PHE 69 6.950 1.194 -1.950 338 HB3 PHE 69 3HB PHE 69 6.354 1.561 -0.360 339 H VAL 70 H VAL 70 2.583 0.879 -1.691 340 HA VAL 70 HA VAL 70 2.651 2.342 -4.240 341 HB VAL 70 HB VAL 70 0.215 2.069 -2.450 342 HG11 VAL 70 1HG1 VAL 70 0.500 1.748 -5.446 343 HG12 VAL 70 2HG1 VAL 70 -1.000 1.838 -4.521 344 HG13 VAL 70 3HG1 VAL 70 0.002 3.312 -4.681 345 HG21 VAL 70 3HG2 VAL 70 1.014 -0.213 -2.661 346 HG22 VAL 70 1HG2 VAL 70 -0.323 0.028 -3.805 347 HG23 VAL 70 2HG2 VAL 70 1.365 0.105 -4.410 348 H GLU 71 H GLU 71 1.906 4.598 -4.428 349 HA GLU 71 HA GLU 71 2.592 6.274 -2.046 350 HB2 GLU 71 2HB GLU 71 4.687 5.393 -3.306 351 HB3 GLU 71 3HB GLU 71 4.124 6.328 -4.678 352 HG2 GLU 71 2HG GLU 71 4.165 8.402 -3.321 353 HG3 GLU 71 3HG GLU 71 4.727 7.487 -1.943 354 H PHE 72 H PHE 72 1.648 8.286 -2.270 355 HA PHE 72 HA PHE 72 0.237 8.877 -4.828 356 HD1 PHE 72 HD2 PHE 72 -1.043 7.033 -4.929 357 HD2 PHE 72 HD1 PHE 72 -2.299 8.065 -0.970 358 HE1 PHE 72 HE2 PHE 72 -2.214 4.799 -4.675 359 HE2 PHE 72 HE1 PHE 72 -3.576 5.948 -0.786 360 HZ PHE 72 HZ PHE 72 -3.558 4.356 -2.666 361 HB2 PHE 72 2HB PHE 72 -0.785 9.437 -2.043 362 HB3 PHE 72 3HB PHE 72 -1.619 9.685 -3.553 363 H GLU 73 H GLU 73 -0.392 10.928 -5.284 364 HA GLU 73 HA GLU 73 1.725 12.910 -4.951 365 HB2 GLU 73 2HB GLU 73 0.532 14.093 -6.645 366 HB3 GLU 73 3HB GLU 73 0.911 12.429 -7.087 367 HG2 GLU 73 2HG GLU 73 -1.771 12.891 -5.844 368 HG3 GLU 73 3HG GLU 73 -1.470 13.628 -7.397 369 H GLU 74 H GLU 74 -1.162 12.302 -3.246 370 HA GLU 74 HA GLU 74 -0.828 14.716 -1.618 371 HB2 GLU 74 2HB GLU 74 -3.374 15.116 -1.740 372 HB3 GLU 74 3HB GLU 74 -2.358 15.736 -3.018 373 HG2 GLU 74 2HG GLU 74 -4.528 14.741 -3.775 374 HG3 GLU 74 3HG GLU 74 -3.100 14.140 -4.591 375 H ALA 75 H ALA 75 -2.622 14.581 0.252 376 HA ALA 75 HA ALA 75 -2.084 11.916 1.436 377 HB1 ALA 75 1HB ALA 75 -1.044 13.901 2.475 378 HB2 ALA 75 2HB ALA 75 -2.663 14.589 2.753 379 HB3 ALA 75 3HB ALA 75 -2.171 13.085 3.566 380 H GLU 76 H GLU 76 -4.576 12.882 -0.254 381 HA GLU 76 HA GLU 76 -6.715 12.206 1.689 382 HB2 GLU 76 2HB GLU 76 -6.490 13.845 -0.764 383 HB3 GLU 76 3HB GLU 76 -7.871 12.737 -0.803 384 HG2 GLU 76 2HG GLU 76 -7.155 14.438 1.589 385 HG3 GLU 76 3HG GLU 76 -8.205 15.060 0.291 386 H SER 77 H SER 77 -5.385 11.081 -1.448 387 HA SER 77 HA SER 77 -6.978 8.662 -1.529 388 HG SER 77 HG SER 77 -4.871 7.295 -3.918 389 HB2 SER 77 2HB SER 77 -5.558 9.512 -3.423 390 HB3 SER 77 3HB SER 77 -4.137 8.947 -2.545 391 H ALA 78 H ALA 78 -3.962 9.610 0.140 392 HA ALA 78 HA ALA 78 -3.451 7.020 1.272 393 HB1 ALA 78 1HB ALA 78 -1.795 8.859 1.018 394 HB2 ALA 78 2HB ALA 78 -2.591 9.727 2.351 395 HB3 ALA 78 3HB ALA 78 -1.835 8.138 2.634 396 H ALA 79 H ALA 79 -5.061 9.943 2.754 397 HA ALA 79 HA ALA 79 -5.821 8.790 5.185 398 HB1 ALA 79 1HB ALA 79 -7.608 10.482 5.205 399 HB2 ALA 79 2HB ALA 79 -6.055 11.158 4.695 400 HB3 ALA 79 3HB ALA 79 -7.320 10.814 3.492 401 H LYS 80 H LYS 80 -7.720 8.703 2.107 402 HA LYS 80 HA LYS 80 -9.658 6.939 3.366 403 HB2 LYS 80 2HB LYS 80 -10.743 6.735 1.283 404 HB3 LYS 80 3HB LYS 80 -10.246 8.413 1.496 405 HG2 LYS 80 2HG LYS 80 -8.225 7.798 0.002 406 HG3 LYS 80 3HG LYS 80 -9.025 6.261 -0.283 407 HD2 LYS 80 2HD LYS 80 -9.749 7.505 -2.103 408 HD3 LYS 80 3HD LYS 80 -11.087 7.776 -1.010 409 HE2 LYS 80 2HE LYS 80 -8.813 9.669 -1.782 410 HE3 LYS 80 3HE LYS 80 -10.504 9.799 -2.228 411 HZ1 LYS 80 3HZ LYS 80 -10.081 11.333 -0.412 412 HZ2 LYS 80 1HZ LYS 80 -10.988 10.129 0.194 413 HZ3 LYS 80 2HZ LYS 80 -9.360 10.184 0.475 414 H ALA 81 H ALA 81 -6.810 6.276 1.325 415 HA ALA 81 HA ALA 81 -7.257 3.545 0.962 416 HB1 ALA 81 1HB ALA 81 -4.821 3.254 0.766 417 HB2 ALA 81 2HB ALA 81 -5.393 4.655 -0.109 418 HB3 ALA 81 3HB ALA 81 -4.562 4.877 1.438 419 H ILE 82 H ILE 82 -5.656 5.245 3.707 420 HA ILE 82 HA ILE 82 -5.217 3.123 5.442 421 HB ILE 82 HB ILE 82 -5.994 5.972 6.081 422 HG12 ILE 82 2HG1 ILE 82 -3.234 4.919 6.574 423 HG13 ILE 82 3HG1 ILE 82 -3.659 5.254 4.907 424 HG21 ILE 82 1HG2 ILE 82 -4.852 3.907 8.007 425 HG22 ILE 82 2HG2 ILE 82 -5.068 5.628 8.356 426 HG23 ILE 82 3HG2 ILE 82 -6.479 4.622 8.084 427 HD11 ILE 82 3HD1 ILE 82 -3.888 7.230 7.219 428 HD12 ILE 82 1HD1 ILE 82 -2.626 7.218 5.954 429 HD13 ILE 82 2HD1 ILE 82 -4.320 7.529 5.540 430 H GLU 83 H GLU 83 -8.114 5.270 5.461 431 HA GLU 83 HA GLU 83 -9.539 3.645 7.321 432 HB2 GLU 83 2HB GLU 83 -10.509 5.674 5.308 433 HB3 GLU 83 3HB GLU 83 -11.528 4.959 6.563 434 HG2 GLU 83 2HG GLU 83 -8.978 6.575 7.088 435 HG3 GLU 83 3HG GLU 83 -10.622 7.187 7.178 436 H GLU 84 H GLU 84 -9.115 3.113 3.918 437 HA GLU 84 HA GLU 84 -11.435 1.335 3.543 438 HB2 GLU 84 2HB GLU 84 -9.044 2.122 1.840 439 HB3 GLU 84 3HB GLU 84 -10.189 0.905 1.324 440 HG2 GLU 84 2HG GLU 84 -11.208 3.644 2.059 441 HG3 GLU 84 3HG GLU 84 -10.408 3.402 0.512 442 H VAL 85 H VAL 85 -7.893 0.949 3.961 443 HA VAL 85 HA VAL 85 -8.245 -1.988 4.329 444 HB VAL 85 HB VAL 85 -8.183 -1.593 1.983 445 HG11 VAL 85 1HG1 VAL 85 -6.049 -0.834 0.859 446 HG12 VAL 85 2HG1 VAL 85 -7.019 0.411 1.664 447 HG13 VAL 85 3HG1 VAL 85 -5.565 -0.197 2.444 448 HG21 VAL 85 3HG2 VAL 85 -7.119 -3.671 2.881 449 HG22 VAL 85 1HG2 VAL 85 -6.589 -3.173 1.265 450 HG23 VAL 85 2HG2 VAL 85 -5.543 -2.868 2.664 451 H HIS 86 H HIS 86 -6.509 0.731 5.494 452 HA HIS 86 HA HIS 86 -4.129 -0.693 6.357 453 HD1 HIS 86 HD1 HIS 86 -1.920 1.929 7.235 454 HD2 HIS 86 HD2 HIS 86 -4.490 0.368 10.160 455 HE1 HIS 86 HE1 HIS 86 -0.477 1.542 9.326 456 HB2 HIS 86 2HB HIS 86 -4.339 1.748 6.482 457 HB3 HIS 86 3HB HIS 86 -5.527 1.602 7.777 458 H GLY 87 H GLY 87 -4.178 -2.537 7.547 459 HA2 GLY 87 2HA GLY 87 -4.088 -3.414 9.761 460 HA3 GLY 87 3HA GLY 87 -5.393 -2.344 10.266 461 H LYS 88 H LYS 88 -6.198 -3.526 7.311 462 HA LYS 88 HA LYS 88 -8.140 -5.566 8.202 463 HB2 LYS 88 2HB LYS 88 -7.395 -4.131 5.617 464 HB3 LYS 88 3HB LYS 88 -8.429 -5.472 5.625 465 HG2 LYS 88 2HG LYS 88 -9.779 -3.495 5.552 466 HG3 LYS 88 3HG LYS 88 -10.065 -4.259 7.116 467 HD2 LYS 88 2HD LYS 88 -8.845 -2.590 8.289 468 HD3 LYS 88 3HD LYS 88 -7.981 -2.090 6.834 469 HE2 LYS 88 2HE LYS 88 -10.158 -1.269 5.892 470 HE3 LYS 88 3HE LYS 88 -10.889 -1.552 7.474 471 HZ1 LYS 88 3HZ LYS 88 -9.248 0.017 8.416 472 HZ2 LYS 88 1HZ LYS 88 -8.604 0.297 6.941 473 HZ3 LYS 88 2HZ LYS 88 -10.147 0.746 7.237 474 H SER 89 H SER 89 -7.842 -7.686 7.732 475 HA SER 89 HA SER 89 -5.078 -8.559 7.306 476 HG SER 89 HG SER 89 -8.157 -10.506 7.286 477 HB2 SER 89 2HB SER 89 -5.961 -10.803 7.895 478 HB3 SER 89 3HB SER 89 -6.196 -9.547 9.117 479 H PHE 90 H PHE 90 -4.489 -8.297 5.102 480 HA PHE 90 HA PHE 90 -6.188 -9.712 3.087 481 HD1 PHE 90 HD2 PHE 90 -3.435 -10.190 0.828 482 HD2 PHE 90 HD1 PHE 90 -6.629 -7.293 0.900 483 HE1 PHE 90 HE2 PHE 90 -4.183 -10.945 -1.424 484 HE2 PHE 90 HE1 PHE 90 -7.312 -7.987 -1.380 485 HZ PHE 90 HZ PHE 90 -6.134 -9.862 -2.503 486 HB2 PHE 90 2HB PHE 90 -5.257 -7.487 2.693 487 HB3 PHE 90 3HB PHE 90 -3.648 -8.142 2.678 488 H ALA 91 H ALA 91 -5.669 -11.575 2.172 489 HA ALA 91 HA ALA 91 -4.969 -13.663 1.874 490 HB1 ALA 91 1HB ALA 91 -2.570 -13.993 1.405 491 HB2 ALA 91 2HB ALA 91 -3.228 -12.547 0.630 492 HB3 ALA 91 3HB ALA 91 -2.218 -12.387 2.087 493 H ASN 92 H ASN 92 -2.870 -12.491 4.515 494 HA ASN 92 HA ASN 92 -3.711 -14.643 6.326 495 HB2 ASN 92 2HB ASN 92 -1.477 -15.549 6.636 496 HB3 ASN 92 3HB ASN 92 -1.892 -15.666 4.932 497 HD21 ASN 92 1HD2 ASN 92 -0.835 -14.116 3.427 498 HD22 ASN 92 2HD2 ASN 92 0.644 -13.300 3.913 499 H GLN 93 H GLN 93 -2.576 -11.392 5.854 500 HA GLN 93 HA GLN 93 -2.360 -10.895 8.735 501 HB2 GLN 93 2HB GLN 93 -0.051 -10.214 8.744 502 HB3 GLN 93 3HB GLN 93 -0.132 -11.865 8.161 503 HG2 GLN 93 2HG GLN 93 0.037 -10.977 5.811 504 HG3 GLN 93 3HG GLN 93 0.246 -9.353 6.494 505 HE21 GLN 93 2HE2 GLN 93 1.728 -12.604 6.311 506 HE22 GLN 93 1HE2 GLN 93 3.371 -11.995 6.498 507 HA PRO 94 HA PRO 94 -3.622 -7.025 7.327 508 HB2 PRO 94 2HB PRO 94 -2.923 -5.236 9.318 509 HB3 PRO 94 3HB PRO 94 -4.163 -6.516 9.540 510 HG2 PRO 94 2HG PRO 94 -1.211 -6.639 10.259 511 HG3 PRO 94 3HG PRO 94 -2.622 -7.016 11.307 512 HD2 PRO 94 2HD PRO 94 -1.254 -8.944 9.994 513 HD3 PRO 94 3HD PRO 94 -3.042 -9.021 10.097 514 H LEU 95 H LEU 95 -3.308 -5.148 6.421 515 HA LEU 95 HA LEU 95 -0.754 -4.537 5.180 516 HG LEU 95 HG LEU 95 -3.334 -3.674 2.720 517 HB2 LEU 95 2HB LEU 95 -3.528 -3.252 5.284 518 HB3 LEU 95 3HB LEU 95 -2.225 -2.591 4.372 519 HD11 LEU 95 1HD1 LEU 95 -2.234 -5.687 2.028 520 HD12 LEU 95 2HD1 LEU 95 -1.039 -4.584 2.746 521 HD13 LEU 95 3HD1 LEU 95 -1.655 -5.965 3.687 522 HD21 LEU 95 3HD2 LEU 95 -5.020 -4.635 4.243 523 HD22 LEU 95 1HD2 LEU 95 -4.628 -5.468 2.744 524 HD23 LEU 95 2HD2 LEU 95 -3.986 -6.093 4.300 525 H GLU 96 H GLU 96 0.371 -2.561 5.230 526 HA GLU 96 HA GLU 96 -0.249 -0.702 7.473 527 HB2 GLU 96 2HB GLU 96 1.859 -2.142 7.719 528 HB3 GLU 96 3HB GLU 96 2.546 -1.171 6.412 529 HG2 GLU 96 2HG GLU 96 1.637 0.846 7.919 530 HG3 GLU 96 3HG GLU 96 1.728 -0.343 9.204 531 H VAL 97 H VAL 97 -1.587 -0.373 5.404 532 HA VAL 97 HA VAL 97 -0.659 1.248 3.203 533 HB VAL 97 HB VAL 97 -3.308 0.864 4.610 534 HG11 VAL 97 1HG1 VAL 97 -2.909 2.242 1.934 535 HG12 VAL 97 2HG1 VAL 97 -4.445 1.731 2.602 536 HG13 VAL 97 3HG1 VAL 97 -3.523 2.995 3.427 537 HG21 VAL 97 3HG2 VAL 97 -2.815 -0.087 1.774 538 HG22 VAL 97 1HG2 VAL 97 -1.933 -0.921 3.038 539 HG23 VAL 97 2HG2 VAL 97 -3.685 -0.889 3.115 540 H VAL 98 H VAL 98 0.541 3.252 4.031 541 HA VAL 98 HA VAL 98 -1.001 4.983 5.825 542 HB VAL 98 HB VAL 98 0.096 2.819 6.933 543 HG11 VAL 98 1HG1 VAL 98 2.032 2.917 8.099 544 HG12 VAL 98 2HG1 VAL 98 2.425 3.045 6.378 545 HG13 VAL 98 3HG1 VAL 98 2.527 4.447 7.514 546 HG21 VAL 98 3HG2 VAL 98 -1.390 4.163 7.905 547 HG22 VAL 98 1HG2 VAL 98 -0.046 3.919 9.037 548 HG23 VAL 98 2HG2 VAL 98 -0.203 5.485 8.186 549 H TYR 99 H TYR 99 1.930 5.661 6.707 550 HA TYR 99 HA TYR 99 2.709 7.461 4.464 551 HD1 TYR 99 HD1 TYR 99 0.773 8.429 5.154 552 HD2 TYR 99 HD2 TYR 99 2.849 9.325 8.834 553 HE1 TYR 99 HE1 TYR 99 -1.150 9.729 5.891 554 HE2 TYR 99 HE2 TYR 99 0.884 10.645 9.593 555 HH TYR 99 HH TYR 99 -1.222 11.395 9.100 556 HB2 TYR 99 2HB TYR 99 3.536 7.401 7.381 557 HB3 TYR 99 3HB TYR 99 3.968 8.622 6.201 558 H SER 100 H SER 100 3.122 4.440 4.907 559 HA SER 100 HA SER 100 4.557 2.843 5.288 560 HG SER 100 HG SER 100 7.402 2.903 3.733 561 HB2 SER 100 2HB SER 100 4.614 2.909 3.014 562 HB3 SER 100 3HB SER 100 5.762 4.190 3.049 563 H LYS 101 H LYS 101 5.162 3.035 7.447 564 HA LYS 101 HA LYS 101 6.789 4.956 8.555 565 HB2 LYS 101 2HB LYS 101 6.728 3.759 10.560 566 HB3 LYS 101 3HB LYS 101 5.271 3.248 9.706 567 HG2 LYS 101 2HG LYS 101 6.623 1.237 8.892 568 HG3 LYS 101 3HG LYS 101 7.890 1.741 10.019 569 HD2 LYS 101 2HD LYS 101 6.328 1.444 11.916 570 HD3 LYS 101 3HD LYS 101 5.116 0.821 10.786 571 HE2 LYS 101 2HE LYS 101 7.860 -0.361 11.439 572 HE3 LYS 101 3HE LYS 101 6.278 -1.062 11.789 573 HZ1 LYS 101 3HZ LYS 101 7.477 -0.748 9.086 574 HZ2 LYS 101 1HZ LYS 101 7.150 -2.165 9.852 575 HZ3 LYS 101 2HZ LYS 101 5.923 -1.183 9.356 576 H LEU 102 H LEU 102 7.883 1.860 7.441 577 HA LEU 102 HA LEU 102 10.323 2.232 6.387 578 HG LEU 102 HG LEU 102 9.912 0.788 9.753 579 HB2 LEU 102 2HB LEU 102 12.007 1.649 7.993 580 HB3 LEU 102 3HB LEU 102 11.242 3.103 8.512 581 HD11 LEU 102 1HD1 LEU 102 12.080 -0.325 9.422 582 HD12 LEU 102 2HD1 LEU 102 12.904 1.034 10.219 583 HD13 LEU 102 3HD1 LEU 102 11.776 0.016 11.140 584 HD21 LEU 102 3HD2 LEU 102 9.837 3.094 10.670 585 HD22 LEU 102 1HD2 LEU 102 10.492 1.939 11.837 586 HD23 LEU 102 2HD2 LEU 102 11.587 3.028 10.958 587 HA PRO 103 HA PRO 103 9.560 -1.879 5.291 588 HB2 PRO 103 2HB PRO 103 12.453 -2.606 5.745 589 HB3 PRO 103 3HB PRO 103 11.423 -2.920 4.315 590 HG2 PRO 103 2HG PRO 103 13.168 -0.866 4.287 591 HG3 PRO 103 3HG PRO 103 11.499 -0.617 3.672 592 HD2 PRO 103 2HD PRO 103 12.634 0.105 6.384 593 HD3 PRO 103 3HD PRO 103 11.625 1.084 5.273 594 H ALA 104 H ALA 104 10.325 -1.639 8.549 595 HA ALA 104 HA ALA 104 10.912 -4.274 9.407 596 HB1 ALA 104 1HB ALA 104 11.204 -2.351 10.849 597 HB2 ALA 104 2HB ALA 104 9.459 -2.005 10.826 598 HB3 ALA 104 3HB ALA 104 10.067 -3.476 11.612 Start of MODEL 9 1 H GLU 28 H GLU 28 6.516 15.094 12.467 2 HA GLU 28 HA GLU 28 5.268 14.237 10.593 3 HB2 GLU 28 2HB GLU 28 8.158 15.020 10.017 4 HB3 GLU 28 3HB GLU 28 6.964 14.749 8.757 5 HG2 GLU 28 2HG GLU 28 7.001 17.058 9.045 6 HG3 GLU 28 3HG GLU 28 5.498 16.510 9.773 7 H LEU 29 H LEU 29 5.389 12.943 8.579 8 HA LEU 29 HA LEU 29 6.977 10.466 8.667 9 HG LEU 29 HG LEU 29 4.245 8.063 9.512 10 HB2 LEU 29 2HB LEU 29 4.405 10.522 9.831 11 HB3 LEU 29 3HB LEU 29 4.071 10.003 8.215 12 HD11 LEU 29 1HD1 LEU 29 7.028 8.218 8.272 13 HD12 LEU 29 2HD1 LEU 29 6.143 6.764 8.742 14 HD13 LEU 29 3HD1 LEU 29 5.522 7.732 7.421 15 HD21 LEU 29 3HD2 LEU 29 5.283 9.051 11.469 16 HD22 LEU 29 1HD2 LEU 29 6.037 7.513 11.036 17 HD23 LEU 29 2HD2 LEU 29 6.870 9.045 10.664 18 H SER 30 H SER 30 6.543 9.167 6.640 19 HA SER 30 HA SER 30 6.680 10.570 4.225 20 HG SER 30 HG SER 30 7.928 7.181 4.608 21 HB2 SER 30 2HB SER 30 5.711 7.714 4.572 22 HB3 SER 30 3HB SER 30 6.555 8.430 3.180 23 H ASN 31 H ASN 31 3.861 10.083 6.008 24 HA ASN 31 HA ASN 31 1.671 10.306 5.754 25 HB2 ASN 31 2HB ASN 31 1.035 12.503 4.971 26 HB3 ASN 31 3HB ASN 31 2.450 12.513 5.976 27 HD21 ASN 31 2HD2 ASN 31 4.563 12.974 4.959 28 HD22 ASN 31 1HD2 ASN 31 4.562 13.846 3.428 29 H THR 32 H THR 32 2.833 9.041 2.930 30 HA THR 32 HA THR 32 0.092 8.951 1.730 31 HB THR 32 HB THR 32 0.948 9.430 -0.385 32 HG1 THR 32 1HG THR 32 3.042 9.613 -0.857 33 HG21 THR 32 1HG2 THR 32 1.799 11.642 -0.278 34 HG22 THR 32 2HG2 THR 32 0.731 11.459 1.118 35 HG23 THR 32 3HG2 THR 32 2.502 11.370 1.317 36 H ARG 33 H ARG 33 1.567 6.619 3.198 37 HA ARG 33 HA ARG 33 2.268 4.971 0.788 38 HE ARG 33 HE ARG 33 6.702 6.304 -0.252 39 HB2 ARG 33 2HB ARG 33 3.934 5.447 3.211 40 HB3 ARG 33 3HB ARG 33 4.099 3.984 2.161 41 HG2 ARG 33 2HG ARG 33 4.678 5.164 0.335 42 HG3 ARG 33 3HG ARG 33 4.476 6.755 1.177 43 HD2 ARG 33 2HD ARG 33 6.394 6.398 2.484 44 HD3 ARG 33 3HD ARG 33 6.425 4.652 2.134 45 HH11 ARG 33 1HH1 ARG 33 8.739 4.801 2.194 46 HH12 ARG 33 2HH1 ARG 33 9.889 4.329 0.927 47 HH21 ARG 33 2HH2 ARG 33 8.213 5.947 -1.552 48 HH22 ARG 33 1HH2 ARG 33 9.780 5.280 -1.030 49 H LEU 34 H LEU 34 1.751 3.042 0.704 50 HA LEU 34 HA LEU 34 0.240 2.017 3.004 51 HG LEU 34 HG LEU 34 -2.277 2.768 0.345 52 HB2 LEU 34 2HB LEU 34 -0.144 1.291 0.166 53 HB3 LEU 34 3HB LEU 34 -1.262 1.075 1.487 54 HD11 LEU 34 1HD1 LEU 34 -0.618 4.814 1.757 55 HD12 LEU 34 2HD1 LEU 34 -2.357 4.670 1.568 56 HD13 LEU 34 3HD1 LEU 34 -1.545 3.635 2.711 57 HD21 LEU 34 3HD2 LEU 34 0.412 3.519 -0.600 58 HD22 LEU 34 1HD2 LEU 34 -1.080 3.264 -1.489 59 HD23 LEU 34 2HD2 LEU 34 -0.786 4.769 -0.603 60 H PHE 35 H PHE 35 1.212 0.640 4.142 61 HA PHE 35 HA PHE 35 3.317 -1.089 2.985 62 HD1 PHE 35 HD2 PHE 35 2.868 -2.547 6.613 63 HD2 PHE 35 HD1 PHE 35 6.210 -0.329 5.038 64 HE1 PHE 35 HE2 PHE 35 4.409 -3.952 7.903 65 HE2 PHE 35 HE1 PHE 35 7.750 -1.728 6.356 66 HZ PHE 35 HZ PHE 35 6.863 -3.554 7.789 67 HB2 PHE 35 2HB PHE 35 4.053 0.379 4.465 68 HB3 PHE 35 3HB PHE 35 2.920 0.315 5.640 69 H VAL 36 H VAL 36 2.457 -2.812 2.219 70 HA VAL 36 HA VAL 36 0.584 -4.415 3.904 71 HB VAL 36 HB VAL 36 -0.777 -4.805 1.906 72 HG11 VAL 36 1HG1 VAL 36 -0.611 -1.886 2.824 73 HG12 VAL 36 2HG1 VAL 36 -2.026 -2.723 2.149 74 HG13 VAL 36 3HG1 VAL 36 -1.371 -3.186 3.743 75 HG21 VAL 36 3HG2 VAL 36 -0.721 -3.437 0.080 76 HG22 VAL 36 1HG2 VAL 36 0.322 -2.183 0.857 77 HG23 VAL 36 2HG2 VAL 36 0.998 -3.759 0.346 78 H ARG 37 H ARG 37 1.029 -6.411 3.995 79 HA ARG 37 HA ARG 37 2.948 -7.713 2.120 80 HE ARG 37 HE ARG 37 4.134 -9.933 4.987 81 HB2 ARG 37 2HB ARG 37 4.567 -8.134 3.841 82 HB3 ARG 37 3HB ARG 37 4.228 -6.430 3.736 83 HG2 ARG 37 2HG ARG 37 3.802 -6.312 5.910 84 HG3 ARG 37 3HG ARG 37 2.443 -7.413 5.750 85 HD2 ARG 37 2HD ARG 37 5.351 -8.183 6.241 86 HD3 ARG 37 3HD ARG 37 4.067 -8.198 7.444 87 HH11 ARG 37 2HH1 ARG 37 3.121 -9.730 8.367 88 HH12 ARG 37 1HH1 ARG 37 2.242 -11.244 8.197 89 HH21 ARG 37 2HH2 ARG 37 3.039 -11.781 4.956 90 HH22 ARG 37 1HH2 ARG 37 2.272 -12.366 6.426 91 HA PRO 38 HA PRO 38 0.381 -11.042 4.682 92 HB2 PRO 38 2HB PRO 38 -1.599 -10.769 2.391 93 HB3 PRO 38 3HB PRO 38 -1.899 -11.366 4.030 94 HG2 PRO 38 2HG PRO 38 -2.580 -8.893 3.289 95 HG3 PRO 38 3HG PRO 38 -1.833 -9.154 4.905 96 HD2 PRO 38 2HD PRO 38 -0.564 -8.001 2.459 97 HD3 PRO 38 3HD PRO 38 -0.324 -7.610 4.185 98 H PHE 39 H PHE 39 0.371 -10.482 1.255 99 HA PHE 39 HA PHE 39 0.269 -13.059 0.251 100 HD1 PHE 39 HD2 PHE 39 2.403 -9.369 -0.519 101 HD2 PHE 39 HD1 PHE 39 -1.849 -10.070 -0.769 102 HE1 PHE 39 HE2 PHE 39 1.977 -6.955 -0.161 103 HE2 PHE 39 HE1 PHE 39 -2.268 -7.670 -0.338 104 HZ PHE 39 HZ PHE 39 -0.358 -6.096 -0.077 105 HB2 PHE 39 2HB PHE 39 1.433 -11.405 -1.689 106 HB3 PHE 39 3HB PHE 39 -0.266 -11.797 -1.479 107 HA PRO 40 HA PRO 40 4.562 -14.537 -0.122 108 HB2 PRO 40 2HB PRO 40 3.168 -16.002 -2.373 109 HB3 PRO 40 3HB PRO 40 4.341 -16.621 -1.180 110 HG2 PRO 40 2HG PRO 40 1.709 -17.143 -0.903 111 HG3 PRO 40 3HG PRO 40 2.691 -16.682 0.521 112 HD2 PRO 40 2HD PRO 40 0.833 -14.955 -1.110 113 HD3 PRO 40 3HD PRO 40 1.054 -15.032 0.654 114 H LEU 41 H LEU 41 5.599 -15.251 -2.569 115 HA LEU 41 HA LEU 41 6.201 -12.824 -4.000 116 HG LEU 41 HG LEU 41 9.114 -15.283 -4.071 117 HB2 LEU 41 2HB LEU 41 6.765 -15.730 -4.752 118 HB3 LEU 41 3HB LEU 41 7.525 -14.301 -5.421 119 HD11 LEU 41 1HD1 LEU 41 9.643 -13.577 -2.417 120 HD12 LEU 41 2HD1 LEU 41 8.989 -12.830 -3.896 121 HD13 LEU 41 3HD1 LEU 41 7.963 -12.997 -2.446 122 HD21 LEU 41 3HD2 LEU 41 7.585 -16.662 -2.613 123 HD22 LEU 41 1HD2 LEU 41 8.976 -15.927 -1.806 124 HD23 LEU 41 2HD2 LEU 41 7.377 -15.219 -1.582 125 H ASP 42 H ASP 42 3.333 -13.347 -4.069 126 HA ASP 42 HA ASP 42 2.830 -13.897 -6.970 127 HB2 ASP 42 2HB ASP 42 0.777 -14.998 -6.309 128 HB3 ASP 42 3HB ASP 42 2.209 -15.825 -5.690 129 H VAL 43 H VAL 43 2.060 -11.654 -4.377 130 HA VAL 43 HA VAL 43 -0.158 -10.364 -5.714 131 HB VAL 43 HB VAL 43 0.395 -9.934 -3.382 132 HG11 VAL 43 1HG1 VAL 43 2.303 -8.405 -2.817 133 HG12 VAL 43 2HG1 VAL 43 2.812 -9.992 -3.433 134 HG13 VAL 43 3HG1 VAL 43 2.875 -8.544 -4.475 135 HG21 VAL 43 3HG2 VAL 43 -0.925 -8.236 -4.583 136 HG22 VAL 43 1HG2 VAL 43 0.054 -7.544 -3.296 137 HG23 VAL 43 2HG2 VAL 43 0.562 -7.341 -4.969 138 H GLN 44 H GLN 44 -0.106 -8.413 -7.008 139 HA GLN 44 HA GLN 44 2.459 -7.656 -8.253 140 HB2 GLN 44 2HB GLN 44 -0.022 -8.475 -9.858 141 HB3 GLN 44 3HB GLN 44 1.467 -7.863 -10.554 142 HG2 GLN 44 2HG GLN 44 1.302 -10.540 -9.110 143 HG3 GLN 44 3HG GLN 44 0.979 -10.326 -10.814 144 HE21 GLN 44 1HE2 GLN 44 3.580 -10.086 -8.372 145 HE22 GLN 44 2HE2 GLN 44 4.869 -10.296 -9.555 146 H GLU 45 H GLU 45 2.218 -5.709 -9.622 147 HA GLU 45 HA GLU 45 0.674 -3.600 -8.479 148 HB2 GLU 45 2HB GLU 45 1.389 -2.287 -10.244 149 HB3 GLU 45 3HB GLU 45 2.707 -3.421 -9.980 150 HG2 GLU 45 2HG GLU 45 0.584 -3.498 -12.144 151 HG3 GLU 45 3HG GLU 45 2.283 -3.067 -12.352 152 H SER 46 H SER 46 -0.336 -6.035 -10.824 153 HA SER 46 HA SER 46 -2.831 -4.828 -11.558 154 HG SER 46 HG SER 46 -0.746 -6.351 -12.933 155 HB2 SER 46 2HB SER 46 -1.938 -7.728 -11.515 156 HB3 SER 46 3HB SER 46 -3.425 -7.127 -12.272 157 H GLU 47 H GLU 47 -1.897 -6.682 -8.640 158 HA GLU 47 HA GLU 47 -4.637 -7.470 -7.871 159 HB2 GLU 47 2HB GLU 47 -1.851 -7.631 -6.628 160 HB3 GLU 47 3HB GLU 47 -3.285 -8.070 -5.796 161 HG2 GLU 47 2HG GLU 47 -2.089 -9.402 -8.240 162 HG3 GLU 47 3HG GLU 47 -2.182 -10.037 -6.605 163 H LEU 48 H LEU 48 -1.940 -5.267 -7.139 164 HA LEU 48 HA LEU 48 -3.296 -3.755 -5.108 165 HG LEU 48 HG LEU 48 -0.788 -5.260 -5.211 166 HB2 LEU 48 2HB LEU 48 -0.920 -3.056 -6.837 167 HB3 LEU 48 3HB LEU 48 -1.362 -2.286 -5.434 168 HD11 LEU 48 1HD1 LEU 48 1.580 -4.888 -5.058 169 HD12 LEU 48 2HD1 LEU 48 1.004 -4.346 -6.619 170 HD13 LEU 48 3HD1 LEU 48 1.376 -3.145 -5.368 171 HD21 LEU 48 3HD2 LEU 48 -0.099 -2.832 -3.544 172 HD22 LEU 48 1HD2 LEU 48 -1.238 -4.185 -3.134 173 HD23 LEU 48 2HD2 LEU 48 0.488 -4.505 -3.233 174 H ASN 49 H ASN 49 -3.041 -3.518 -8.666 175 HA ASN 49 HA ASN 49 -4.559 -1.057 -8.912 176 HB2 ASN 49 2HB ASN 49 -3.879 -3.239 -10.787 177 HB3 ASN 49 3HB ASN 49 -5.394 -2.435 -11.126 178 HD21 ASN 49 2HD2 ASN 49 -1.932 -1.840 -10.622 179 HD22 ASN 49 1HD2 ASN 49 -1.911 -0.337 -11.555 180 H GLU 50 H GLU 50 -5.775 -4.436 -8.622 181 HA GLU 50 HA GLU 50 -8.545 -3.616 -8.618 182 HB2 GLU 50 2HB GLU 50 -6.995 -6.068 -7.999 183 HB3 GLU 50 3HB GLU 50 -8.497 -5.895 -7.076 184 HG2 GLU 50 2HG GLU 50 -9.668 -5.384 -9.302 185 HG3 GLU 50 3HG GLU 50 -8.178 -5.875 -10.107 186 H ILE 51 H ILE 51 -6.194 -3.793 -5.950 187 HA ILE 51 HA ILE 51 -8.249 -3.346 -3.898 188 HB ILE 51 HB ILE 51 -5.254 -3.453 -3.924 189 HG12 ILE 51 2HG1 ILE 51 -7.100 -5.487 -2.634 190 HG13 ILE 51 3HG1 ILE 51 -6.611 -5.601 -4.319 191 HG21 ILE 51 1HG2 ILE 51 -5.895 -2.030 -1.988 192 HG22 ILE 51 2HG2 ILE 51 -7.094 -3.242 -1.492 193 HG23 ILE 51 3HG2 ILE 51 -5.355 -3.593 -1.395 194 HD11 ILE 51 3HD1 ILE 51 -4.178 -5.510 -3.549 195 HD12 ILE 51 1HD1 ILE 51 -4.783 -5.729 -1.896 196 HD13 ILE 51 2HD1 ILE 51 -5.078 -6.964 -3.128 197 H PHE 52 H PHE 52 -5.734 -1.341 -5.427 198 HA PHE 52 HA PHE 52 -6.365 0.973 -3.705 199 HD1 PHE 52 HD1 PHE 52 -3.936 -1.861 -4.190 200 HD2 PHE 52 HD2 PHE 52 -3.463 1.899 -2.183 201 HE1 PHE 52 HE1 PHE 52 -2.765 -3.021 -2.381 202 HE2 PHE 52 HE2 PHE 52 -2.160 0.729 -0.451 203 HZ PHE 52 HZ PHE 52 -1.682 -1.705 -0.614 204 HB2 PHE 52 2HB PHE 52 -3.978 0.380 -5.405 205 HB3 PHE 52 3HB PHE 52 -4.194 1.845 -4.470 206 H GLY 53 H GLY 53 -6.580 -0.033 -7.057 207 HA2 GLY 53 2HA GLY 53 -6.825 2.430 -8.430 208 HA3 GLY 53 3HA GLY 53 -7.653 0.925 -8.829 209 HA PRO 54 HA PRO 54 -11.513 2.496 -6.945 210 HB2 PRO 54 2HB PRO 54 -11.026 1.554 -4.125 211 HB3 PRO 54 3HB PRO 54 -12.490 1.373 -5.142 212 HG2 PRO 54 2HG PRO 54 -10.833 -0.731 -4.779 213 HG3 PRO 54 3HG PRO 54 -11.454 -0.380 -6.431 214 HD2 PRO 54 2HD PRO 54 -8.836 0.486 -5.191 215 HD3 PRO 54 3HD PRO 54 -9.049 -0.393 -6.721 216 H PHE 55 H PHE 55 -8.625 3.159 -4.944 217 HA PHE 55 HA PHE 55 -9.749 5.533 -3.659 218 HD1 PHE 55 HD2 PHE 55 -9.844 3.582 -2.316 219 HD2 PHE 55 HD1 PHE 55 -5.573 3.505 -2.621 220 HE1 PHE 55 HE2 PHE 55 -9.828 1.375 -1.191 221 HE2 PHE 55 HE1 PHE 55 -5.538 1.403 -1.190 222 HZ PHE 55 HZ PHE 55 -7.685 0.325 -0.591 223 HB2 PHE 55 2HB PHE 55 -6.810 4.886 -3.943 224 HB3 PHE 55 3HB PHE 55 -7.591 5.823 -2.716 225 H GLY 56 H GLY 56 -7.445 4.782 -6.237 226 HA2 GLY 56 2HA GLY 56 -7.825 5.952 -8.298 227 HA3 GLY 56 3HA GLY 56 -7.924 7.467 -7.398 228 HA PRO 57 HA PRO 57 -3.866 8.327 -8.357 229 HB2 PRO 57 2HB PRO 57 -2.934 9.967 -6.443 230 HB3 PRO 57 3HB PRO 57 -4.526 10.250 -7.195 231 HG2 PRO 57 2HG PRO 57 -3.954 8.760 -4.610 232 HG3 PRO 57 3HG PRO 57 -5.062 10.150 -4.863 233 HD2 PRO 57 2HD PRO 57 -5.879 7.512 -4.946 234 HD3 PRO 57 3HD PRO 57 -6.678 8.808 -5.880 235 H MET 58 H MET 58 -3.696 5.579 -7.312 236 HA MET 58 HA MET 58 -1.275 4.983 -5.832 237 HB2 MET 58 2HB MET 58 -1.167 3.003 -7.264 238 HB3 MET 58 3HB MET 58 -2.593 3.196 -6.247 239 HG2 MET 58 2HG MET 58 -4.035 3.414 -7.995 240 HG3 MET 58 3HG MET 58 -2.848 4.180 -9.057 241 HE1 MET 58 3HE MET 58 -3.977 0.717 -7.482 242 HE2 MET 58 1HE MET 58 -2.654 -0.325 -8.088 243 HE3 MET 58 2HE MET 58 -2.310 0.975 -6.944 244 H LYS 59 H LYS 59 0.430 6.185 -6.122 245 HA LYS 59 HA LYS 59 1.366 7.111 -8.759 246 HB2 LYS 59 2HB LYS 59 0.570 8.528 -6.846 247 HB3 LYS 59 3HB LYS 59 1.869 7.879 -5.854 248 HG2 LYS 59 2HG LYS 59 2.404 9.417 -8.386 249 HG3 LYS 59 3HG LYS 59 1.934 10.180 -6.886 250 HD2 LYS 59 2HD LYS 59 4.501 8.775 -7.470 251 HD3 LYS 59 3HD LYS 59 4.099 10.388 -6.887 252 HE2 LYS 59 2HE LYS 59 3.685 9.737 -4.723 253 HE3 LYS 59 3HE LYS 59 3.791 8.000 -5.113 254 HZ1 LYS 59 3HZ LYS 59 6.067 9.889 -5.423 255 HZ2 LYS 59 1HZ LYS 59 5.866 8.924 -4.126 256 HZ3 LYS 59 2HZ LYS 59 6.153 8.260 -5.588 257 H GLU 60 H GLU 60 2.313 5.185 -5.958 258 HA GLU 60 HA GLU 60 4.474 4.043 -7.531 259 HB2 GLU 60 2HB GLU 60 5.190 6.012 -5.626 260 HB3 GLU 60 3HB GLU 60 5.445 4.480 -4.777 261 HG2 GLU 60 2HG GLU 60 7.010 3.736 -6.452 262 HG3 GLU 60 3HG GLU 60 6.613 5.093 -7.514 263 H VAL 61 H VAL 61 5.251 2.149 -6.884 264 HA VAL 61 HA VAL 61 3.515 0.516 -5.161 265 HB VAL 61 HB VAL 61 3.775 -0.129 -8.165 266 HG11 VAL 61 1HG1 VAL 61 2.036 -1.666 -7.848 267 HG12 VAL 61 2HG1 VAL 61 3.024 -1.796 -6.367 268 HG13 VAL 61 3HG1 VAL 61 1.499 -0.902 -6.327 269 HG21 VAL 61 3HG2 VAL 61 2.577 1.964 -8.305 270 HG22 VAL 61 1HG2 VAL 61 1.505 0.614 -8.663 271 HG23 VAL 61 2HG2 VAL 61 1.405 1.419 -7.085 272 H LYS 62 H LYS 62 5.660 0.708 -4.232 273 HA LYS 62 HA LYS 62 7.946 -0.609 -5.516 274 HB2 LYS 62 2HB LYS 62 7.544 -0.037 -2.564 275 HB3 LYS 62 3HB LYS 62 9.057 -0.228 -3.424 276 HG2 LYS 62 2HG LYS 62 8.487 1.939 -4.688 277 HG3 LYS 62 3HG LYS 62 7.067 2.094 -3.649 278 HD2 LYS 62 2HD LYS 62 8.504 3.416 -2.471 279 HD3 LYS 62 3HD LYS 62 8.783 1.875 -1.662 280 HE2 LYS 62 2HE LYS 62 10.979 2.399 -2.080 281 HE3 LYS 62 3HE LYS 62 10.613 1.610 -3.619 282 HZ1 LYS 62 3HZ LYS 62 10.913 4.466 -3.004 283 HZ2 LYS 62 1HZ LYS 62 11.537 3.643 -4.253 284 HZ3 LYS 62 2HZ LYS 62 9.949 4.078 -4.283 285 H ILE 63 H ILE 63 8.034 -2.802 -5.710 286 HA ILE 63 HA ILE 63 6.538 -4.509 -3.764 287 HB ILE 63 HB ILE 63 6.579 -4.895 -6.765 288 HG12 ILE 63 2HG1 ILE 63 4.301 -4.277 -4.820 289 HG13 ILE 63 3HG1 ILE 63 5.010 -3.150 -5.953 290 HG21 ILE 63 1HG2 ILE 63 6.706 -7.085 -5.593 291 HG22 ILE 63 2HG2 ILE 63 5.331 -6.623 -4.572 292 HG23 ILE 63 3HG2 ILE 63 5.122 -6.870 -6.313 293 HD11 ILE 63 3HD1 ILE 63 3.051 -3.799 -7.018 294 HD12 ILE 63 1HD1 ILE 63 4.270 -4.785 -7.827 295 HD13 ILE 63 2HD1 ILE 63 3.214 -5.485 -6.553 296 H LEU 64 H LEU 64 7.552 -5.962 -2.832 297 HA LEU 64 HA LEU 64 10.257 -6.934 -3.638 298 HG LEU 64 HG LEU 64 11.468 -4.725 -2.464 299 HB2 LEU 64 2HB LEU 64 9.245 -6.059 -0.906 300 HB3 LEU 64 3HB LEU 64 10.822 -6.735 -1.235 301 HD11 LEU 64 1HD1 LEU 64 9.802 -3.467 -3.327 302 HD12 LEU 64 2HD1 LEU 64 8.677 -3.799 -1.995 303 HD13 LEU 64 3HD1 LEU 64 9.987 -2.613 -1.807 304 HD21 LEU 64 3HD2 LEU 64 10.482 -4.456 0.350 305 HD22 LEU 64 1HD2 LEU 64 12.067 -4.995 -0.202 306 HD23 LEU 64 2HD2 LEU 64 11.594 -3.303 -0.431 307 H ASN 65 H ASN 65 10.709 -8.608 -1.741 308 HA ASN 65 HA ASN 65 9.828 -11.069 -2.361 309 HB2 ASN 65 2HB ASN 65 10.736 -10.343 0.393 310 HB3 ASN 65 3HB ASN 65 11.163 -11.795 -0.502 311 HD21 ASN 65 2HD2 ASN 65 12.217 -8.728 0.453 312 HD22 ASN 65 1HD2 ASN 65 13.508 -8.527 -0.704 313 H GLY 66 H GLY 66 7.277 -10.010 -1.956 314 HA2 GLY 66 2HA GLY 66 5.301 -10.906 -1.089 315 HA3 GLY 66 3HA GLY 66 6.068 -11.459 0.375 316 H PHE 67 H PHE 67 6.747 -8.237 -0.982 317 HA PHE 67 HA PHE 67 4.914 -6.953 1.005 318 HD1 PHE 67 HD1 PHE 67 8.878 -8.209 0.756 319 HD2 PHE 67 HD2 PHE 67 6.522 -6.433 3.897 320 HE1 PHE 67 HE1 PHE 67 9.735 -9.895 2.367 321 HE2 PHE 67 HE2 PHE 67 7.455 -8.066 5.521 322 HZ PHE 67 HZ PHE 67 9.045 -9.815 4.751 323 HB2 PHE 67 2HB PHE 67 7.718 -5.952 0.530 324 HB3 PHE 67 3HB PHE 67 6.575 -5.425 1.729 325 H ALA 68 H ALA 68 4.083 -5.002 0.433 326 HA ALA 68 HA ALA 68 4.887 -3.661 -2.093 327 HB1 ALA 68 1HB ALA 68 3.018 -4.964 -2.737 328 HB2 ALA 68 2HB ALA 68 2.100 -4.497 -1.306 329 HB3 ALA 68 3HB ALA 68 2.492 -3.279 -2.547 330 H PHE 69 H PHE 69 5.242 -1.682 -1.825 331 HA PHE 69 HA PHE 69 4.080 -0.130 0.401 332 HD1 PHE 69 HD2 PHE 69 7.331 -1.923 -0.991 333 HD2 PHE 69 HD1 PHE 69 6.820 0.059 2.786 334 HE1 PHE 69 HE2 PHE 69 8.488 -3.778 0.128 335 HE2 PHE 69 HE1 PHE 69 8.179 -1.738 3.881 336 HZ PHE 69 HZ PHE 69 9.078 -3.653 2.473 337 HB2 PHE 69 2HB PHE 69 6.772 0.634 -0.692 338 HB3 PHE 69 3HB PHE 69 6.013 1.092 0.801 339 H VAL 70 H VAL 70 2.413 0.207 -0.852 340 HA VAL 70 HA VAL 70 2.733 1.559 -3.443 341 HB VAL 70 HB VAL 70 0.106 1.415 -2.012 342 HG11 VAL 70 1HG1 VAL 70 -0.723 1.047 -4.335 343 HG12 VAL 70 2HG1 VAL 70 0.255 2.544 -4.331 344 HG13 VAL 70 3HG1 VAL 70 0.923 0.979 -4.927 345 HG21 VAL 70 3HG2 VAL 70 -0.270 -0.671 -3.272 346 HG22 VAL 70 1HG2 VAL 70 1.481 -0.653 -3.710 347 HG23 VAL 70 2HG2 VAL 70 0.941 -0.874 -1.991 348 H GLU 71 H GLU 71 1.883 3.745 -3.733 349 HA GLU 71 HA GLU 71 2.189 5.529 -1.371 350 HB2 GLU 71 2HB GLU 71 4.466 4.843 -2.486 351 HB3 GLU 71 3HB GLU 71 3.904 5.846 -3.836 352 HG2 GLU 71 2HG GLU 71 3.685 7.805 -2.484 353 HG3 GLU 71 3HG GLU 71 4.024 6.906 -1.016 354 H PHE 72 H PHE 72 1.473 7.588 -1.809 355 HA PHE 72 HA PHE 72 0.358 8.239 -4.518 356 HD1 PHE 72 HD2 PHE 72 -1.574 6.563 -4.460 357 HD2 PHE 72 HD1 PHE 72 -1.883 7.795 -0.365 358 HE1 PHE 72 HE2 PHE 72 -2.964 4.551 -3.983 359 HE2 PHE 72 HE1 PHE 72 -3.354 5.841 0.084 360 HZ PHE 72 HZ PHE 72 -3.837 4.202 -1.672 361 HB2 PHE 72 2HB PHE 72 -0.790 9.181 -1.876 362 HB3 PHE 72 3HB PHE 72 -1.538 9.195 -3.460 363 H GLU 73 H GLU 73 0.096 10.520 -4.914 364 HA GLU 73 HA GLU 73 2.188 12.160 -3.575 365 HB2 GLU 73 2HB GLU 73 2.064 13.688 -5.409 366 HB3 GLU 73 3HB GLU 73 2.495 12.050 -5.886 367 HG2 GLU 73 2HG GLU 73 0.126 11.692 -6.669 368 HG3 GLU 73 3HG GLU 73 -0.264 13.345 -6.206 369 H GLU 74 H GLU 74 -0.572 11.289 -2.659 370 HA GLU 74 HA GLU 74 -1.910 13.858 -1.976 371 HB2 GLU 74 2HB GLU 74 -2.919 12.828 -4.016 372 HB3 GLU 74 3HB GLU 74 -3.199 11.336 -3.123 373 HG2 GLU 74 2HG GLU 74 -4.676 12.631 -1.537 374 HG3 GLU 74 3HG GLU 74 -4.446 14.055 -2.544 375 H ALA 75 H ALA 75 -1.475 13.823 0.229 376 HA ALA 75 HA ALA 75 -1.471 11.619 2.014 377 HB1 ALA 75 1HB ALA 75 -1.780 13.305 3.744 378 HB2 ALA 75 2HB ALA 75 -0.597 13.839 2.535 379 HB3 ALA 75 3HB ALA 75 -2.248 14.510 2.524 380 H GLU 76 H GLU 76 -4.220 13.462 0.693 381 HA GLU 76 HA GLU 76 -6.248 12.332 2.416 382 HB2 GLU 76 2HB GLU 76 -6.585 13.452 -0.385 383 HB3 GLU 76 3HB GLU 76 -7.843 13.223 0.815 384 HG2 GLU 76 2HG GLU 76 -5.525 15.193 0.921 385 HG3 GLU 76 3HG GLU 76 -7.225 15.568 0.686 386 H SER 77 H SER 77 -4.584 11.007 -0.412 387 HA SER 77 HA SER 77 -6.591 8.890 -0.724 388 HG SER 77 HG SER 77 -4.670 6.864 -2.226 389 HB2 SER 77 2HB SER 77 -5.090 9.516 -2.618 390 HB3 SER 77 3HB SER 77 -3.757 8.796 -1.779 391 H ALA 78 H ALA 78 -3.534 9.361 1.069 392 HA ALA 78 HA ALA 78 -3.510 6.630 2.046 393 HB1 ALA 78 1HB ALA 78 -2.320 9.193 3.106 394 HB2 ALA 78 2HB ALA 78 -2.090 7.580 3.851 395 HB3 ALA 78 3HB ALA 78 -1.568 7.872 2.184 396 H ALA 79 H ALA 79 -4.977 9.653 3.428 397 HA ALA 79 HA ALA 79 -6.385 8.500 5.556 398 HB1 ALA 79 1HB ALA 79 -7.928 10.349 5.351 399 HB2 ALA 79 2HB ALA 79 -6.271 10.909 5.054 400 HB3 ALA 79 3HB ALA 79 -7.392 10.677 3.694 401 H LYS 80 H LYS 80 -7.656 8.701 2.131 402 HA LYS 80 HA LYS 80 -9.916 7.151 2.896 403 HB2 LYS 80 2HB LYS 80 -10.693 7.372 0.756 404 HB3 LYS 80 3HB LYS 80 -9.602 8.752 0.845 405 HG2 LYS 80 2HG LYS 80 -7.910 7.299 -0.440 406 HG3 LYS 80 3HG LYS 80 -9.181 6.101 -0.579 407 HD2 LYS 80 2HD LYS 80 -9.609 7.275 -2.533 408 HD3 LYS 80 3HD LYS 80 -10.620 8.175 -1.448 409 HE2 LYS 80 2HE LYS 80 -9.610 9.887 -2.578 410 HE3 LYS 80 3HE LYS 80 -8.516 9.759 -1.193 411 HZ1 LYS 80 3HZ LYS 80 -7.082 8.378 -2.723 412 HZ2 LYS 80 1HZ LYS 80 -8.139 8.693 -3.937 413 HZ3 LYS 80 2HZ LYS 80 -7.299 9.933 -3.221 414 H ALA 81 H ALA 81 -6.870 6.132 1.438 415 HA ALA 81 HA ALA 81 -7.564 3.443 0.908 416 HB1 ALA 81 1HB ALA 81 -5.553 4.568 0.040 417 HB2 ALA 81 2HB ALA 81 -4.825 4.528 1.658 418 HB3 ALA 81 3HB ALA 81 -5.168 3.025 0.780 419 H ILE 82 H ILE 82 -6.260 5.040 3.866 420 HA ILE 82 HA ILE 82 -6.068 2.802 5.541 421 HB ILE 82 HB ILE 82 -6.770 5.655 6.254 422 HG12 ILE 82 2HG1 ILE 82 -4.133 4.417 6.982 423 HG13 ILE 82 3HG1 ILE 82 -4.352 4.866 5.308 424 HG21 ILE 82 1HG2 ILE 82 -6.097 5.118 8.592 425 HG22 ILE 82 2HG2 ILE 82 -7.536 4.237 8.105 426 HG23 ILE 82 3HG2 ILE 82 -5.964 3.409 8.152 427 HD11 ILE 82 3HD1 ILE 82 -3.370 6.743 6.463 428 HD12 ILE 82 1HD1 ILE 82 -5.060 7.139 6.093 429 HD13 ILE 82 2HD1 ILE 82 -4.616 6.683 7.737 430 H GLU 83 H GLU 83 -8.824 5.130 5.312 431 HA GLU 83 HA GLU 83 -10.529 3.558 6.983 432 HB2 GLU 83 2HB GLU 83 -11.170 5.650 4.892 433 HB3 GLU 83 3HB GLU 83 -12.353 4.976 6.019 434 HG2 GLU 83 2HG GLU 83 -9.820 6.501 6.808 435 HG3 GLU 83 3HG GLU 83 -11.454 7.144 6.779 436 H GLU 84 H GLU 84 -9.837 3.201 3.571 437 HA GLU 84 HA GLU 84 -12.154 1.555 2.895 438 HB2 GLU 84 2HB GLU 84 -9.475 2.091 1.549 439 HB3 GLU 84 3HB GLU 84 -10.640 0.959 0.885 440 HG2 GLU 84 2HG GLU 84 -11.478 3.776 1.482 441 HG3 GLU 84 3HG GLU 84 -10.554 3.452 0.030 442 H VAL 85 H VAL 85 -8.699 0.824 3.658 443 HA VAL 85 HA VAL 85 -9.450 -2.026 4.071 444 HB VAL 85 HB VAL 85 -9.218 -1.486 1.671 445 HG11 VAL 85 1HG1 VAL 85 -6.326 -1.049 2.330 446 HG12 VAL 85 2HG1 VAL 85 -6.953 -1.294 0.696 447 HG13 VAL 85 3HG1 VAL 85 -7.480 0.119 1.621 448 HG21 VAL 85 3HG2 VAL 85 -9.063 -3.775 2.410 449 HG22 VAL 85 1HG2 VAL 85 -8.024 -3.462 1.009 450 HG23 VAL 85 2HG2 VAL 85 -7.312 -3.614 2.621 451 H HIS 86 H HIS 86 -7.798 0.339 5.565 452 HA HIS 86 HA HIS 86 -5.431 -1.229 6.375 453 HD1 HIS 86 HD1 HIS 86 -3.208 1.531 7.554 454 HD2 HIS 86 HD2 HIS 86 -5.906 -0.413 10.124 455 HE1 HIS 86 HE1 HIS 86 -1.943 1.099 9.748 456 HB2 HIS 86 2HB HIS 86 -5.528 1.225 6.554 457 HB3 HIS 86 3HB HIS 86 -6.790 1.104 7.784 458 H GLY 87 H GLY 87 -5.608 -3.031 7.503 459 HA2 GLY 87 2HA GLY 87 -5.841 -4.172 9.583 460 HA3 GLY 87 3HA GLY 87 -7.172 -3.111 10.043 461 H LYS 88 H LYS 88 -7.745 -3.764 6.948 462 HA LYS 88 HA LYS 88 -9.732 -5.901 7.277 463 HB2 LYS 88 2HB LYS 88 -8.864 -3.879 5.229 464 HB3 LYS 88 3HB LYS 88 -9.652 -5.275 4.655 465 HG2 LYS 88 2HG LYS 88 -11.281 -3.467 4.975 466 HG3 LYS 88 3HG LYS 88 -11.627 -4.800 6.058 467 HD2 LYS 88 2HD LYS 88 -11.969 -3.090 7.518 468 HD3 LYS 88 3HD LYS 88 -10.275 -3.338 7.834 469 HE2 LYS 88 2HE LYS 88 -10.514 -1.036 7.728 470 HE3 LYS 88 3HE LYS 88 -9.782 -1.448 6.183 471 HZ1 LYS 88 3HZ LYS 88 -12.707 -1.027 6.571 472 HZ2 LYS 88 1HZ LYS 88 -11.706 0.143 6.043 473 HZ3 LYS 88 2HZ LYS 88 -11.937 -1.185 5.127 474 H SER 89 H SER 89 -9.497 -7.842 6.518 475 HA SER 89 HA SER 89 -6.805 -8.939 6.280 476 HG SER 89 HG SER 89 -10.040 -10.337 5.409 477 HB2 SER 89 2HB SER 89 -8.024 -11.127 6.257 478 HB3 SER 89 3HB SER 89 -8.309 -10.102 7.675 479 H PHE 90 H PHE 90 -5.699 -8.942 4.339 480 HA PHE 90 HA PHE 90 -7.243 -9.903 1.942 481 HD1 PHE 90 HD1 PHE 90 -3.989 -9.832 -0.088 482 HD2 PHE 90 HD2 PHE 90 -7.698 -7.652 0.166 483 HE1 PHE 90 HE1 PHE 90 -4.432 -10.314 -2.491 484 HE2 PHE 90 HE2 PHE 90 -8.141 -8.131 -2.240 485 HZ PHE 90 HZ PHE 90 -6.531 -9.501 -3.541 486 HB2 PHE 90 2HB PHE 90 -6.104 -7.611 1.958 487 HB3 PHE 90 3HB PHE 90 -4.588 -8.492 1.971 488 H ALA 91 H ALA 91 -6.513 -11.625 0.838 489 HA ALA 91 HA ALA 91 -5.730 -13.677 0.448 490 HB1 ALA 91 1HB ALA 91 -3.845 -12.359 -0.343 491 HB2 ALA 91 2HB ALA 91 -3.092 -12.402 1.268 492 HB3 ALA 91 3HB ALA 91 -3.278 -13.898 0.331 493 H ASN 92 H ASN 92 -3.998 -12.828 3.452 494 HA ASN 92 HA ASN 92 -4.918 -15.223 4.877 495 HB2 ASN 92 2HB ASN 92 -2.561 -16.011 5.239 496 HB3 ASN 92 3HB ASN 92 -3.117 -16.166 3.586 497 HD21 ASN 92 2HD2 ASN 92 -0.459 -15.148 5.431 498 HD22 ASN 92 1HD2 ASN 92 0.271 -14.178 4.137 499 H GLN 93 H GLN 93 -4.211 -11.933 5.024 500 HA GLN 93 HA GLN 93 -4.501 -11.711 7.825 501 HB2 GLN 93 2HB GLN 93 -2.093 -10.740 8.233 502 HB3 GLN 93 3HB GLN 93 -2.488 -12.413 8.469 503 HG2 GLN 93 2HG GLN 93 -1.502 -12.481 5.882 504 HG3 GLN 93 3HG GLN 93 -0.651 -11.100 6.538 505 HE21 GLN 93 2HE2 GLN 93 -1.657 -14.425 7.605 506 HE22 GLN 93 1HE2 GLN 93 -0.062 -14.844 8.241 507 HA PRO 94 HA PRO 94 -5.235 -7.626 6.629 508 HB2 PRO 94 2HB PRO 94 -4.845 -6.086 8.919 509 HB3 PRO 94 3HB PRO 94 -6.179 -7.263 8.737 510 HG2 PRO 94 2HG PRO 94 -3.452 -7.713 10.016 511 HG3 PRO 94 3HG PRO 94 -5.067 -8.062 10.724 512 HD2 PRO 94 2HD PRO 94 -3.613 -9.978 9.538 513 HD3 PRO 94 3HD PRO 94 -5.372 -9.893 9.233 514 H LEU 95 H LEU 95 -4.719 -5.514 6.379 515 HA LEU 95 HA LEU 95 -1.991 -5.019 5.392 516 HG LEU 95 HG LEU 95 -2.937 -4.728 2.727 517 HB2 LEU 95 2HB LEU 95 -4.882 -4.206 4.907 518 HB3 LEU 95 3HB LEU 95 -3.612 -3.210 4.273 519 HD11 LEU 95 1HD1 LEU 95 -2.428 -6.592 4.103 520 HD12 LEU 95 2HD1 LEU 95 -4.145 -7.088 4.019 521 HD13 LEU 95 3HD1 LEU 95 -3.116 -6.947 2.539 522 HD21 LEU 95 3HD2 LEU 95 -5.804 -5.517 3.014 523 HD22 LEU 95 1HD2 LEU 95 -5.177 -4.098 2.110 524 HD23 LEU 95 2HD2 LEU 95 -4.775 -5.751 1.582 525 H GLU 96 H GLU 96 -0.786 -3.196 5.752 526 HA GLU 96 HA GLU 96 -1.794 -1.255 7.785 527 HB2 GLU 96 2HB GLU 96 0.245 -2.873 8.254 528 HB3 GLU 96 3HB GLU 96 1.134 -1.635 7.367 529 HG2 GLU 96 2HG GLU 96 -0.006 0.100 8.864 530 HG3 GLU 96 3HG GLU 96 -0.462 -1.253 9.903 531 H VAL 97 H VAL 97 -2.712 -0.788 5.561 532 HA VAL 97 HA VAL 97 -1.312 0.884 3.684 533 HB VAL 97 HB VAL 97 -4.207 0.695 4.642 534 HG11 VAL 97 1HG1 VAL 97 -4.940 1.794 2.618 535 HG12 VAL 97 2HG1 VAL 97 -3.972 2.908 3.596 536 HG13 VAL 97 3HG1 VAL 97 -3.290 2.125 2.144 537 HG21 VAL 97 3HG2 VAL 97 -4.368 -0.300 2.133 538 HG22 VAL 97 1HG2 VAL 97 -2.644 -0.513 2.313 539 HG23 VAL 97 2HG2 VAL 97 -3.761 -1.305 3.451 540 H VAL 98 H VAL 98 -0.193 2.737 4.499 541 HA VAL 98 HA VAL 98 -1.757 4.506 6.300 542 HB VAL 98 HB VAL 98 -0.756 2.253 7.339 543 HG11 VAL 98 1HG1 VAL 98 1.171 2.129 8.396 544 HG12 VAL 98 2HG1 VAL 98 1.616 2.668 6.784 545 HG13 VAL 98 3HG1 VAL 98 1.617 3.803 8.177 546 HG21 VAL 98 3HG2 VAL 98 -2.258 3.549 8.321 547 HG22 VAL 98 1HG2 VAL 98 -0.953 3.222 9.481 548 HG23 VAL 98 2HG2 VAL 98 -1.074 4.840 8.726 549 H TYR 99 H TYR 99 0.829 5.242 7.550 550 HA TYR 99 HA TYR 99 2.094 6.937 5.433 551 HD1 TYR 99 HD1 TYR 99 0.134 8.179 5.433 552 HD2 TYR 99 HD2 TYR 99 0.873 8.894 9.630 553 HE1 TYR 99 HE1 TYR 99 -2.054 9.354 5.629 554 HE2 TYR 99 HE2 TYR 99 -1.319 10.051 9.818 555 HH TYR 99 HH TYR 99 -3.221 10.719 8.731 556 HB2 TYR 99 2HB TYR 99 2.237 7.366 8.446 557 HB3 TYR 99 3HB TYR 99 2.764 8.444 7.170 558 H SER 100 H SER 100 2.789 4.580 4.973 559 HA SER 100 HA SER 100 3.892 2.808 6.366 560 HG SER 100 HG SER 100 6.634 2.451 4.327 561 HB2 SER 100 2HB SER 100 3.825 2.444 4.071 562 HB3 SER 100 3HB SER 100 5.053 3.657 3.856 563 H LYS 101 H LYS 101 5.574 2.026 7.451 564 HA LYS 101 HA LYS 101 7.655 3.664 8.630 565 HB2 LYS 101 2HB LYS 101 7.120 0.659 8.653 566 HB3 LYS 101 3HB LYS 101 8.354 1.475 9.621 567 HG2 LYS 101 2HG LYS 101 6.574 2.866 10.694 568 HG3 LYS 101 3HG LYS 101 5.346 1.883 9.883 569 HD2 LYS 101 2HD LYS 101 7.530 0.734 11.677 570 HD3 LYS 101 3HD LYS 101 5.959 1.218 12.294 571 HE2 LYS 101 2HE LYS 101 6.121 -0.737 9.979 572 HE3 LYS 101 3HE LYS 101 6.449 -1.296 11.617 573 HZ1 LYS 101 3HZ LYS 101 3.919 0.038 10.783 574 HZ2 LYS 101 1HZ LYS 101 4.078 -1.528 11.026 575 HZ3 LYS 101 2HZ LYS 101 4.261 -0.508 12.290 576 H LEU 102 H LEU 102 8.022 3.974 5.947 577 HA LEU 102 HA LEU 102 10.742 2.927 5.580 578 HG LEU 102 HG LEU 102 11.072 2.900 2.657 579 HB2 LEU 102 2HB LEU 102 9.168 1.306 4.423 580 HB3 LEU 102 3HB LEU 102 8.636 2.634 3.399 581 HD11 LEU 102 1HD1 LEU 102 12.172 1.647 4.506 582 HD12 LEU 102 2HD1 LEU 102 11.336 0.169 4.000 583 HD13 LEU 102 3HD1 LEU 102 12.540 0.931 2.933 584 HD21 LEU 102 3HD2 LEU 102 10.960 1.067 1.061 585 HD22 LEU 102 1HD2 LEU 102 9.789 0.202 2.073 586 HD23 LEU 102 2HD2 LEU 102 9.338 1.733 1.296 587 HA PRO 103 HA PRO 103 10.635 7.281 4.327 588 HB2 PRO 103 2HB PRO 103 13.220 7.950 4.694 589 HB3 PRO 103 3HB PRO 103 12.204 7.408 6.067 590 HG2 PRO 103 2HG PRO 103 14.122 5.725 4.401 591 HG3 PRO 103 3HG PRO 103 14.059 5.882 6.190 592 HD2 PRO 103 2HD PRO 103 12.801 3.856 4.829 593 HD3 PRO 103 3HD PRO 103 12.138 4.556 6.337 594 H ALA 104 H ALA 104 11.997 4.837 2.381 595 HA ALA 104 HA ALA 104 12.720 6.704 0.158 596 HB1 ALA 104 1HB ALA 104 14.174 4.175 1.050 597 HB2 ALA 104 2HB ALA 104 14.579 5.167 -0.360 598 HB3 ALA 104 3HB ALA 104 14.755 5.843 1.272 Start of MODEL 10 1 H GLU 28 H GLU 28 1.838 15.289 9.067 2 HA GLU 28 HA GLU 28 3.762 14.297 10.073 3 HB2 GLU 28 2HB GLU 28 1.698 14.720 11.431 4 HB3 GLU 28 3HB GLU 28 1.175 13.068 11.121 5 HG2 GLU 28 2HG GLU 28 2.137 13.324 13.359 6 HG3 GLU 28 3HG GLU 28 3.074 12.188 12.401 7 H LEU 29 H LEU 29 4.897 12.417 10.752 8 HA LEU 29 HA LEU 29 5.912 10.416 10.556 9 HG LEU 29 HG LEU 29 3.633 7.322 10.402 10 HB2 LEU 29 2HB LEU 29 3.547 9.732 11.236 11 HB3 LEU 29 3HB LEU 29 3.246 9.347 9.576 12 HD11 LEU 29 1HD1 LEU 29 6.560 7.896 9.838 13 HD12 LEU 29 2HD1 LEU 29 5.709 6.337 9.767 14 HD13 LEU 29 3HD1 LEU 29 5.331 7.584 8.592 15 HD21 LEU 29 3HD2 LEU 29 5.852 8.386 12.182 16 HD22 LEU 29 1HD2 LEU 29 4.181 8.013 12.676 17 HD23 LEU 29 2HD2 LEU 29 5.252 6.709 12.141 18 H SER 30 H SER 30 3.750 10.430 7.804 19 HA SER 30 HA SER 30 5.670 10.822 5.713 20 HG SER 30 HG SER 30 6.847 8.907 6.816 21 HB2 SER 30 2HB SER 30 4.688 7.968 6.113 22 HB3 SER 30 3HB SER 30 5.223 8.574 4.548 23 H ASN 31 H ASN 31 2.506 10.320 6.902 24 HA ASN 31 HA ASN 31 0.451 10.612 6.213 25 HB2 ASN 31 2HB ASN 31 0.234 12.718 4.589 26 HB3 ASN 31 3HB ASN 31 0.514 12.781 6.305 27 HD21 ASN 31 2HD2 ASN 31 2.228 12.979 3.156 28 HD22 ASN 31 1HD2 ASN 31 3.492 13.999 3.799 29 H THR 32 H THR 32 2.303 9.464 3.542 30 HA THR 32 HA THR 32 -0.224 8.928 2.078 31 HB THR 32 HB THR 32 0.844 9.654 0.011 32 HG1 THR 32 1HG THR 32 2.818 10.426 -0.040 33 HG21 THR 32 1HG2 THR 32 1.158 11.884 2.027 34 HG22 THR 32 2HG2 THR 32 0.791 11.996 0.290 35 HG23 THR 32 3HG2 THR 32 -0.405 11.311 1.403 36 H ARG 33 H ARG 33 1.085 6.708 3.457 37 HA ARG 33 HA ARG 33 2.162 5.217 1.083 38 HE ARG 33 HE ARG 33 6.555 6.843 0.257 39 HB2 ARG 33 2HB ARG 33 3.656 5.899 3.602 40 HB3 ARG 33 3HB ARG 33 3.996 4.417 2.768 41 HG2 ARG 33 2HG ARG 33 4.870 5.209 0.991 42 HG3 ARG 33 3HG ARG 33 3.982 6.762 1.040 43 HD2 ARG 33 2HD ARG 33 5.462 7.736 2.541 44 HD3 ARG 33 3HD ARG 33 6.079 6.176 3.108 45 HH11 ARG 33 1HH1 ARG 33 8.041 6.321 3.381 46 HH12 ARG 33 2HH1 ARG 33 9.642 6.381 2.695 47 HH21 ARG 33 1HH2 ARG 33 8.418 6.653 -0.524 48 HH22 ARG 33 2HH2 ARG 33 9.836 6.292 0.475 49 H LEU 34 H LEU 34 1.498 3.292 0.871 50 HA LEU 34 HA LEU 34 -0.026 2.079 3.103 51 HG LEU 34 HG LEU 34 -2.436 2.950 0.355 52 HB2 LEU 34 2HB LEU 34 -0.368 1.420 0.240 53 HB3 LEU 34 3HB LEU 34 -1.498 1.212 1.528 54 HD11 LEU 34 1HD1 LEU 34 -2.046 3.709 2.777 55 HD12 LEU 34 2HD1 LEU 34 -0.888 4.857 2.097 56 HD13 LEU 34 3HD1 LEU 34 -2.557 4.889 1.585 57 HD21 LEU 34 3HD2 LEU 34 0.200 3.484 -0.609 58 HD22 LEU 34 1HD2 LEU 34 -1.357 3.875 -1.307 59 HD23 LEU 34 2HD2 LEU 34 -0.572 4.999 -0.173 60 H PHE 35 H PHE 35 0.517 0.192 4.082 61 HA PHE 35 HA PHE 35 2.809 -1.314 2.962 62 HD1 PHE 35 HD1 PHE 35 5.285 -1.862 4.176 63 HD2 PHE 35 HD2 PHE 35 2.295 -2.550 7.171 64 HE1 PHE 35 HE1 PHE 35 6.734 -3.599 5.219 65 HE2 PHE 35 HE2 PHE 35 3.747 -4.245 8.246 66 HZ PHE 35 HZ PHE 35 5.971 -4.779 7.265 67 HB2 PHE 35 2HB PHE 35 3.602 -0.195 4.733 68 HB3 PHE 35 3HB PHE 35 2.399 -0.327 5.812 69 H VAL 36 H VAL 36 2.104 -2.841 2.012 70 HA VAL 36 HA VAL 36 -0.415 -4.275 2.767 71 HB VAL 36 HB VAL 36 0.688 -2.868 0.348 72 HG11 VAL 36 1HG1 VAL 36 -0.138 -4.710 -0.729 73 HG12 VAL 36 2HG1 VAL 36 -1.739 -4.513 0.099 74 HG13 VAL 36 3HG1 VAL 36 -1.083 -3.269 -0.997 75 HG21 VAL 36 3HG2 VAL 36 -0.726 -1.534 1.965 76 HG22 VAL 36 1HG2 VAL 36 -1.662 -1.771 0.514 77 HG23 VAL 36 2HG2 VAL 36 -1.990 -2.794 1.895 78 H ARG 37 H ARG 37 0.260 -6.080 3.484 79 HA ARG 37 HA ARG 37 2.389 -7.670 2.116 80 HE ARG 37 HE ARG 37 2.031 -5.482 8.193 81 HB2 ARG 37 2HB ARG 37 3.396 -7.937 4.357 82 HB3 ARG 37 3HB ARG 37 3.351 -6.276 3.821 83 HG2 ARG 37 2HG ARG 37 1.752 -5.591 5.335 84 HG3 ARG 37 3HG ARG 37 1.008 -7.171 5.477 85 HD2 ARG 37 2HD ARG 37 2.929 -7.963 6.842 86 HD3 ARG 37 3HD ARG 37 3.652 -6.360 6.720 87 HH11 ARG 37 1HH2 ARG 37 1.117 -8.807 7.523 88 HH12 ARG 37 2HH2 ARG 37 -0.227 -8.731 8.623 89 HH21 ARG 37 1HH1 ARG 37 0.418 -5.447 9.540 90 HH22 ARG 37 2HH1 ARG 37 -0.638 -6.842 9.759 91 HA PRO 38 HA PRO 38 -0.657 -10.748 4.470 92 HB2 PRO 38 2HB PRO 38 -2.603 -10.260 2.186 93 HB3 PRO 38 3HB PRO 38 -2.937 -10.918 3.807 94 HG2 PRO 38 2HG PRO 38 -3.475 -8.385 3.281 95 HG3 PRO 38 3HG PRO 38 -2.616 -8.753 4.811 96 HD2 PRO 38 2HD PRO 38 -1.433 -7.718 2.239 97 HD3 PRO 38 3HD PRO 38 -1.090 -7.257 3.938 98 H PHE 39 H PHE 39 -0.323 -10.111 1.060 99 HA PHE 39 HA PHE 39 -0.770 -12.706 0.053 100 HD1 PHE 39 HD2 PHE 39 0.931 -8.715 -0.237 101 HD2 PHE 39 HD1 PHE 39 -2.754 -10.445 -1.738 102 HE1 PHE 39 HE2 PHE 39 -0.225 -6.607 0.076 103 HE2 PHE 39 HE1 PHE 39 -3.831 -8.216 -1.600 104 HZ PHE 39 HZ PHE 39 -2.604 -6.306 -0.676 105 HB2 PHE 39 2HB PHE 39 0.868 -10.863 -1.578 106 HB3 PHE 39 3HB PHE 39 -0.643 -11.658 -1.972 107 HA PRO 40 HA PRO 40 3.483 -14.127 -0.281 108 HB2 PRO 40 2HB PRO 40 3.307 -16.006 -2.309 109 HB3 PRO 40 3HB PRO 40 2.525 -16.269 -0.732 110 HG2 PRO 40 2HG PRO 40 1.266 -15.140 -3.254 111 HG3 PRO 40 3HG PRO 40 0.659 -16.479 -2.225 112 HD2 PRO 40 2HD PRO 40 -0.214 -13.899 -1.975 113 HD3 PRO 40 3HD PRO 40 -0.055 -14.985 -0.557 114 H LEU 41 H LEU 41 5.049 -14.619 -2.340 115 HA LEU 41 HA LEU 41 5.874 -12.200 -3.442 116 HG LEU 41 HG LEU 41 8.198 -13.188 -2.948 117 HB2 LEU 41 2HB LEU 41 6.282 -15.069 -4.394 118 HB3 LEU 41 3HB LEU 41 7.105 -13.687 -5.094 119 HD11 LEU 41 1HD1 LEU 41 6.956 -15.810 -2.007 120 HD12 LEU 41 2HD1 LEU 41 8.321 -14.992 -1.213 121 HD13 LEU 41 3HD1 LEU 41 6.760 -14.195 -1.262 122 HD21 LEU 41 3HD2 LEU 41 9.290 -14.550 -4.681 123 HD22 LEU 41 1HD2 LEU 41 9.786 -15.063 -3.068 124 HD23 LEU 41 2HD2 LEU 41 8.597 -16.025 -3.976 125 H ASP 42 H ASP 42 3.319 -14.223 -4.637 126 HA ASP 42 HA ASP 42 3.205 -13.449 -7.362 127 HB2 ASP 42 2HB ASP 42 0.982 -14.318 -5.491 128 HB3 ASP 42 3HB ASP 42 0.892 -14.292 -7.241 129 H VAL 43 H VAL 43 2.298 -11.492 -4.554 130 HA VAL 43 HA VAL 43 0.441 -9.809 -6.019 131 HB VAL 43 HB VAL 43 0.486 -9.850 -3.563 132 HG11 VAL 43 1HG1 VAL 43 2.145 -8.708 -2.269 133 HG12 VAL 43 2HG1 VAL 43 2.995 -9.843 -3.335 134 HG13 VAL 43 3HG1 VAL 43 2.964 -8.113 -3.736 135 HG21 VAL 43 3HG2 VAL 43 -0.665 -7.953 -4.428 136 HG22 VAL 43 1HG2 VAL 43 0.337 -7.367 -3.127 137 HG23 VAL 43 2HG2 VAL 43 0.831 -7.073 -4.795 138 H GLN 44 H GLN 44 0.690 -7.923 -7.019 139 HA GLN 44 HA GLN 44 3.328 -6.910 -7.842 140 HB2 GLN 44 2HB GLN 44 1.264 -8.333 -9.606 141 HB3 GLN 44 3HB GLN 44 2.481 -7.272 -10.297 142 HG2 GLN 44 2HG GLN 44 4.262 -8.730 -9.793 143 HG3 GLN 44 3HG GLN 44 3.312 -9.672 -8.650 144 HE21 GLN 44 2HE2 GLN 44 1.828 -11.235 -9.349 145 HE22 GLN 44 1HE2 GLN 44 1.778 -11.757 -11.034 146 H GLU 45 H GLU 45 2.989 -5.116 -9.473 147 HA GLU 45 HA GLU 45 1.225 -3.127 -8.539 148 HB2 GLU 45 2HB GLU 45 3.291 -2.974 -10.152 149 HB3 GLU 45 3HB GLU 45 2.134 -3.337 -11.431 150 HG2 GLU 45 2HG GLU 45 0.876 -1.260 -10.043 151 HG3 GLU 45 3HG GLU 45 2.568 -0.859 -9.839 152 H SER 46 H SER 46 0.496 -5.771 -10.849 153 HA SER 46 HA SER 46 -2.000 -4.704 -11.794 154 HG SER 46 HG SER 46 -0.657 -8.533 -12.077 155 HB2 SER 46 2HB SER 46 -2.442 -7.104 -12.392 156 HB3 SER 46 3HB SER 46 -0.919 -6.451 -13.013 157 H GLU 47 H GLU 47 -1.140 -6.449 -8.805 158 HA GLU 47 HA GLU 47 -3.792 -7.444 -8.130 159 HB2 GLU 47 2HB GLU 47 -1.078 -8.013 -7.658 160 HB3 GLU 47 3HB GLU 47 -1.500 -7.130 -6.217 161 HG2 GLU 47 2HG GLU 47 -2.541 -9.753 -7.256 162 HG3 GLU 47 3HG GLU 47 -1.619 -9.405 -5.841 163 H LEU 48 H LEU 48 -1.413 -5.044 -7.180 164 HA LEU 48 HA LEU 48 -2.943 -3.517 -5.306 165 HG LEU 48 HG LEU 48 -0.400 -4.898 -5.309 166 HB2 LEU 48 2HB LEU 48 -0.538 -2.830 -7.038 167 HB3 LEU 48 3HB LEU 48 -1.062 -1.943 -5.693 168 HD11 LEU 48 1HD1 LEU 48 1.507 -3.722 -6.465 169 HD12 LEU 48 2HD1 LEU 48 1.662 -2.736 -4.996 170 HD13 LEU 48 3HD1 LEU 48 1.837 -4.499 -4.915 171 HD21 LEU 48 3HD2 LEU 48 0.324 -4.086 -3.157 172 HD22 LEU 48 1HD2 LEU 48 -0.152 -2.411 -3.622 173 HD23 LEU 48 2HD2 LEU 48 -1.382 -3.724 -3.464 174 H ASN 49 H ASN 49 -2.460 -3.306 -8.863 175 HA ASN 49 HA ASN 49 -4.056 -0.916 -9.182 176 HB2 ASN 49 2HB ASN 49 -3.157 -3.040 -11.072 177 HB3 ASN 49 3HB ASN 49 -4.623 -2.205 -11.521 178 HD21 ASN 49 2HD2 ASN 49 -1.295 -1.566 -10.504 179 HD22 ASN 49 1HD2 ASN 49 -1.054 -0.211 -11.588 180 H GLU 50 H GLU 50 -5.126 -4.355 -9.081 181 HA GLU 50 HA GLU 50 -7.922 -3.795 -9.423 182 HB2 GLU 50 2HB GLU 50 -6.286 -5.993 -8.218 183 HB3 GLU 50 3HB GLU 50 -8.002 -5.958 -7.842 184 HG2 GLU 50 2HG GLU 50 -6.833 -5.888 -10.673 185 HG3 GLU 50 3HG GLU 50 -7.262 -7.372 -9.843 186 H ILE 51 H ILE 51 -5.927 -3.812 -6.438 187 HA ILE 51 HA ILE 51 -8.242 -3.273 -4.726 188 HB ILE 51 HB ILE 51 -5.270 -3.356 -4.358 189 HG12 ILE 51 2HG1 ILE 51 -7.417 -5.244 -3.302 190 HG13 ILE 51 3HG1 ILE 51 -6.507 -5.510 -4.786 191 HG21 ILE 51 1HG2 ILE 51 -6.134 -1.783 -2.625 192 HG22 ILE 51 2HG2 ILE 51 -7.376 -2.975 -2.182 193 HG23 ILE 51 3HG2 ILE 51 -5.650 -3.283 -1.876 194 HD11 ILE 51 3HD1 ILE 51 -4.370 -5.452 -3.434 195 HD12 ILE 51 1HD1 ILE 51 -5.377 -5.472 -1.961 196 HD13 ILE 51 2HD1 ILE 51 -5.455 -6.814 -3.101 197 H PHE 52 H PHE 52 -5.597 -1.246 -5.964 198 HA PHE 52 HA PHE 52 -6.355 1.087 -4.359 199 HD1 PHE 52 HD2 PHE 52 -4.040 -1.614 -4.368 200 HD2 PHE 52 HD1 PHE 52 -3.479 2.478 -3.158 201 HE1 PHE 52 HE2 PHE 52 -2.688 -2.381 -2.462 202 HE2 PHE 52 HE1 PHE 52 -2.002 1.700 -1.350 203 HZ PHE 52 HZ PHE 52 -1.427 -0.705 -1.157 204 HB2 PHE 52 2HB PHE 52 -4.000 0.465 -6.043 205 HB3 PHE 52 3HB PHE 52 -4.265 2.023 -5.302 206 H GLY 53 H GLY 53 -6.403 0.024 -7.725 207 HA2 GLY 53 2HA GLY 53 -6.551 2.377 -9.205 208 HA3 GLY 53 3HA GLY 53 -7.431 0.889 -9.563 209 HA PRO 54 HA PRO 54 -11.271 2.794 -8.055 210 HB2 PRO 54 2HB PRO 54 -11.182 1.957 -5.170 211 HB3 PRO 54 3HB PRO 54 -12.491 1.734 -6.372 212 HG2 PRO 54 2HG PRO 54 -10.932 -0.357 -5.630 213 HG3 PRO 54 3HG PRO 54 -11.348 -0.129 -7.366 214 HD2 PRO 54 2HD PRO 54 -8.887 0.830 -5.889 215 HD3 PRO 54 3HD PRO 54 -8.915 -0.199 -7.341 216 H PHE 55 H PHE 55 -8.480 3.469 -5.966 217 HA PHE 55 HA PHE 55 -9.750 5.612 -4.484 218 HD1 PHE 55 HD1 PHE 55 -9.814 3.588 -3.388 219 HD2 PHE 55 HD2 PHE 55 -5.503 3.803 -3.250 220 HE1 PHE 55 HE1 PHE 55 -9.762 1.437 -2.183 221 HE2 PHE 55 HE2 PHE 55 -5.499 1.760 -1.758 222 HZ PHE 55 HZ PHE 55 -7.631 0.554 -1.329 223 HB2 PHE 55 2HB PHE 55 -6.765 5.123 -4.767 224 HB3 PHE 55 3HB PHE 55 -7.601 5.962 -3.485 225 H GLY 56 H GLY 56 -7.211 5.516 -7.035 226 HA2 GLY 56 2HA GLY 56 -7.727 7.860 -8.397 227 HA3 GLY 56 3HA GLY 56 -6.989 8.403 -6.906 228 HA PRO 57 HA PRO 57 -3.545 8.189 -9.611 229 HB2 PRO 57 2HB PRO 57 -1.589 9.357 -8.122 230 HB3 PRO 57 3HB PRO 57 -3.029 10.236 -8.714 231 HG2 PRO 57 2HG PRO 57 -2.547 9.087 -5.961 232 HG3 PRO 57 3HG PRO 57 -3.256 10.666 -6.408 233 HD2 PRO 57 2HD PRO 57 -4.706 8.376 -5.757 234 HD3 PRO 57 3HD PRO 57 -5.356 9.715 -6.727 235 H MET 58 H MET 58 -2.992 6.628 -6.510 236 HA MET 58 HA MET 58 -1.124 5.322 -5.740 237 HB2 MET 58 2HB MET 58 -1.042 3.185 -6.814 238 HB3 MET 58 3HB MET 58 -2.624 3.658 -6.179 239 HG2 MET 58 2HG MET 58 -3.388 4.254 -8.443 240 HG3 MET 58 3HG MET 58 -1.833 3.726 -9.105 241 HE1 MET 58 3HE MET 58 -1.017 1.123 -8.053 242 HE2 MET 58 1HE MET 58 -2.033 1.173 -6.586 243 HE3 MET 58 2HE MET 58 -2.230 -0.147 -7.764 244 H LYS 59 H LYS 59 0.136 7.141 -6.333 245 HA LYS 59 HA LYS 59 1.521 7.441 -8.713 246 HB2 LYS 59 2HB LYS 59 0.838 9.154 -7.092 247 HB3 LYS 59 3HB LYS 59 1.927 8.509 -5.891 248 HG2 LYS 59 2HG LYS 59 2.924 9.638 -8.499 249 HG3 LYS 59 3HG LYS 59 2.452 10.599 -7.138 250 HD2 LYS 59 2HD LYS 59 4.851 8.850 -7.356 251 HD3 LYS 59 3HD LYS 59 4.586 10.540 -6.898 252 HE2 LYS 59 2HE LYS 59 3.783 10.028 -4.757 253 HE3 LYS 59 3HE LYS 59 3.952 8.273 -5.061 254 HZ1 LYS 59 3HZ LYS 59 6.367 8.653 -5.413 255 HZ2 LYS 59 1HZ LYS 59 6.190 10.242 -5.080 256 HZ3 LYS 59 2HZ LYS 59 5.947 9.117 -3.917 257 H GLU 60 H GLU 60 2.480 5.638 -5.840 258 HA GLU 60 HA GLU 60 4.537 4.370 -7.469 259 HB2 GLU 60 2HB GLU 60 5.312 6.287 -5.417 260 HB3 GLU 60 3HB GLU 60 5.808 4.670 -4.909 261 HG2 GLU 60 2HG GLU 60 7.123 4.352 -6.896 262 HG3 GLU 60 3HG GLU 60 6.440 5.784 -7.672 263 H VAL 61 H VAL 61 5.249 2.431 -6.845 264 HA VAL 61 HA VAL 61 3.534 0.911 -4.989 265 HB VAL 61 HB VAL 61 3.610 0.212 -7.986 266 HG11 VAL 61 1HG1 VAL 61 1.751 -1.200 -7.477 267 HG12 VAL 61 2HG1 VAL 61 2.966 -1.434 -6.206 268 HG13 VAL 61 3HG1 VAL 61 1.518 -0.452 -5.896 269 HG21 VAL 61 3HG2 VAL 61 2.501 2.347 -8.111 270 HG22 VAL 61 1HG2 VAL 61 1.359 1.038 -8.383 271 HG23 VAL 61 2HG2 VAL 61 1.370 1.884 -6.826 272 H LYS 62 H LYS 62 5.530 0.696 -3.993 273 HA LYS 62 HA LYS 62 7.713 -0.583 -5.489 274 HB2 LYS 62 2HB LYS 62 7.553 0.042 -2.525 275 HB3 LYS 62 3HB LYS 62 8.986 -0.280 -3.503 276 HG2 LYS 62 2HG LYS 62 8.064 1.800 -4.948 277 HG3 LYS 62 3HG LYS 62 7.156 2.149 -3.467 278 HD2 LYS 62 2HD LYS 62 10.159 2.071 -3.859 279 HD3 LYS 62 3HD LYS 62 9.141 3.470 -3.470 280 HE2 LYS 62 2HE LYS 62 8.564 2.396 -1.278 281 HE3 LYS 62 3HE LYS 62 9.639 1.045 -1.698 282 HZ1 LYS 62 3HZ LYS 62 10.825 2.723 -0.327 283 HZ2 LYS 62 1HZ LYS 62 11.471 2.690 -1.821 284 HZ3 LYS 62 2HZ LYS 62 10.461 3.895 -1.384 285 H ILE 63 H ILE 63 7.999 -2.620 -5.639 286 HA ILE 63 HA ILE 63 6.309 -4.561 -4.093 287 HB ILE 63 HB ILE 63 7.436 -5.066 -6.841 288 HG12 ILE 63 2HG1 ILE 63 6.020 -3.132 -7.188 289 HG13 ILE 63 3HG1 ILE 63 5.436 -4.571 -7.979 290 HG21 ILE 63 1HG2 ILE 63 6.771 -7.079 -5.673 291 HG22 ILE 63 2HG2 ILE 63 5.195 -6.385 -5.268 292 HG23 ILE 63 3HG2 ILE 63 5.600 -6.768 -6.949 293 HD11 ILE 63 3HD1 ILE 63 4.243 -3.384 -5.429 294 HD12 ILE 63 1HD1 ILE 63 3.578 -3.344 -7.082 295 HD13 ILE 63 2HD1 ILE 63 3.697 -4.876 -6.236 296 H LEU 64 H LEU 64 7.247 -5.986 -2.904 297 HA LEU 64 HA LEU 64 9.953 -7.091 -3.466 298 HG LEU 64 HG LEU 64 11.082 -4.907 -2.271 299 HB2 LEU 64 2HB LEU 64 8.818 -6.252 -0.782 300 HB3 LEU 64 3HB LEU 64 10.387 -6.962 -1.070 301 HD11 LEU 64 1HD1 LEU 64 9.538 -3.451 -2.986 302 HD12 LEU 64 2HD1 LEU 64 8.320 -3.970 -1.804 303 HD13 LEU 64 3HD1 LEU 64 9.598 -2.819 -1.357 304 HD21 LEU 64 3HD2 LEU 64 10.106 -4.690 0.541 305 HD22 LEU 64 1HD2 LEU 64 11.665 -5.327 -0.007 306 HD23 LEU 64 2HD2 LEU 64 11.306 -3.600 -0.207 307 H ASN 65 H ASN 65 10.166 -8.888 -1.656 308 HA ASN 65 HA ASN 65 9.087 -11.187 -2.598 309 HB2 ASN 65 2HB ASN 65 10.086 -10.895 0.219 310 HB3 ASN 65 3HB ASN 65 10.361 -12.252 -0.865 311 HD21 ASN 65 2HD2 ASN 65 11.624 -9.303 0.329 312 HD22 ASN 65 1HD2 ASN 65 12.929 -9.118 -0.809 313 H GLY 66 H GLY 66 6.635 -9.969 -2.022 314 HA2 GLY 66 2HA GLY 66 4.627 -11.109 -1.190 315 HA3 GLY 66 3HA GLY 66 5.450 -11.415 0.332 316 H PHE 67 H PHE 67 6.302 -8.356 -0.991 317 HA PHE 67 HA PHE 67 4.387 -6.964 0.845 318 HD1 PHE 67 HD1 PHE 67 8.425 -8.432 0.833 319 HD2 PHE 67 HD2 PHE 67 5.540 -7.053 3.730 320 HE1 PHE 67 HE1 PHE 67 9.066 -10.281 2.376 321 HE2 PHE 67 HE2 PHE 67 6.205 -8.884 5.275 322 HZ PHE 67 HZ PHE 67 7.961 -10.509 4.586 323 HB2 PHE 67 2HB PHE 67 7.293 -6.241 0.621 324 HB3 PHE 67 3HB PHE 67 6.123 -5.689 1.785 325 H ALA 68 H ALA 68 3.770 -5.000 0.339 326 HA ALA 68 HA ALA 68 4.694 -3.597 -2.167 327 HB1 ALA 68 1HB ALA 68 2.416 -3.084 -2.648 328 HB2 ALA 68 2HB ALA 68 2.683 -4.845 -2.658 329 HB3 ALA 68 3HB ALA 68 1.873 -4.075 -1.278 330 H PHE 69 H PHE 69 5.108 -1.577 -1.847 331 HA PHE 69 HA PHE 69 3.990 -0.169 0.482 332 HD1 PHE 69 HD2 PHE 69 7.073 -2.134 -0.789 333 HD2 PHE 69 HD1 PHE 69 6.681 -0.075 2.976 334 HE1 PHE 69 HE2 PHE 69 8.062 -4.065 0.354 335 HE2 PHE 69 HE1 PHE 69 7.983 -1.916 4.072 336 HZ PHE 69 HZ PHE 69 8.682 -3.940 2.691 337 HB2 PHE 69 2HB PHE 69 6.772 0.472 -0.526 338 HB3 PHE 69 3HB PHE 69 6.005 1.012 0.943 339 H VAL 70 H VAL 70 2.390 0.503 -0.692 340 HA VAL 70 HA VAL 70 2.823 1.925 -3.229 341 HB VAL 70 HB VAL 70 0.173 1.664 -1.817 342 HG11 VAL 70 1HG1 VAL 70 0.261 3.022 -3.969 343 HG12 VAL 70 2HG1 VAL 70 0.950 1.536 -4.736 344 HG13 VAL 70 3HG1 VAL 70 -0.689 1.505 -4.100 345 HG21 VAL 70 3HG2 VAL 70 0.978 -0.605 -1.998 346 HG22 VAL 70 1HG2 VAL 70 -0.127 -0.313 -3.362 347 HG23 VAL 70 2HG2 VAL 70 1.638 -0.228 -3.650 348 H GLU 71 H GLU 71 2.069 4.113 -3.506 349 HA GLU 71 HA GLU 71 2.399 5.881 -1.115 350 HB2 GLU 71 2HB GLU 71 4.642 5.015 -2.028 351 HB3 GLU 71 3HB GLU 71 4.234 5.788 -3.541 352 HG2 GLU 71 2HG GLU 71 4.176 7.983 -2.611 353 HG3 GLU 71 3HG GLU 71 4.278 7.376 -0.971 354 H PHE 72 H PHE 72 1.699 7.922 -1.488 355 HA PHE 72 HA PHE 72 0.838 8.693 -4.251 356 HD1 PHE 72 HD2 PHE 72 -1.539 7.490 -4.755 357 HD2 PHE 72 HD1 PHE 72 -1.549 7.761 -0.461 358 HE1 PHE 72 HE2 PHE 72 -3.047 5.488 -4.609 359 HE2 PHE 72 HE1 PHE 72 -3.077 5.803 -0.360 360 HZ PHE 72 HZ PHE 72 -3.774 4.657 -2.397 361 HB2 PHE 72 2HB PHE 72 -0.576 9.458 -1.675 362 HB3 PHE 72 3HB PHE 72 -1.109 9.731 -3.319 363 H GLU 73 H GLU 73 0.785 10.785 -4.791 364 HA GLU 73 HA GLU 73 2.864 12.502 -3.661 365 HB2 GLU 73 2HB GLU 73 2.389 13.956 -5.408 366 HB3 GLU 73 3HB GLU 73 2.645 12.325 -5.992 367 HG2 GLU 73 2HG GLU 73 -0.166 13.287 -5.444 368 HG3 GLU 73 3HG GLU 73 0.700 13.901 -6.835 369 H GLU 74 H GLU 74 -0.469 11.897 -3.082 370 HA GLU 74 HA GLU 74 -0.976 14.505 -1.726 371 HB2 GLU 74 2HB GLU 74 -3.269 14.344 -2.678 372 HB3 GLU 74 3HB GLU 74 -2.013 14.627 -3.869 373 HG2 GLU 74 2HG GLU 74 -2.348 12.647 -4.952 374 HG3 GLU 74 3HG GLU 74 -2.669 11.738 -3.486 375 H ALA 75 H ALA 75 -2.352 14.552 0.010 376 HA ALA 75 HA ALA 75 -2.370 12.169 1.645 377 HB1 ALA 75 1HB ALA 75 -1.891 14.418 2.525 378 HB2 ALA 75 2HB ALA 75 -3.549 14.936 2.124 379 HB3 ALA 75 3HB ALA 75 -3.278 13.680 3.345 380 H GLU 76 H GLU 76 -4.860 13.604 -0.418 381 HA GLU 76 HA GLU 76 -7.088 12.530 1.070 382 HB2 GLU 76 2HB GLU 76 -7.153 13.231 -1.868 383 HB3 GLU 76 3HB GLU 76 -8.488 13.160 -0.731 384 HG2 GLU 76 2HG GLU 76 -6.232 15.198 -0.794 385 HG3 GLU 76 3HG GLU 76 -7.911 15.469 -1.236 386 H SER 77 H SER 77 -5.264 11.275 -1.787 387 HA SER 77 HA SER 77 -6.720 8.825 -1.906 388 HG SER 77 HG SER 77 -4.550 7.019 -3.090 389 HB2 SER 77 2HB SER 77 -5.123 9.653 -3.666 390 HB3 SER 77 3HB SER 77 -3.815 9.011 -2.667 391 H ALA 78 H ALA 78 -4.010 9.742 0.204 392 HA ALA 78 HA ALA 78 -3.658 7.052 1.205 393 HB1 ALA 78 1HB ALA 78 -2.163 7.992 2.712 394 HB2 ALA 78 2HB ALA 78 -2.077 9.042 1.272 395 HB3 ALA 78 3HB ALA 78 -2.977 9.589 2.696 396 H ALA 79 H ALA 79 -5.421 9.893 2.551 397 HA ALA 79 HA ALA 79 -6.637 8.646 4.772 398 HB1 ALA 79 1HB ALA 79 -6.633 11.066 4.334 399 HB2 ALA 79 2HB ALA 79 -7.708 10.835 2.939 400 HB3 ALA 79 3HB ALA 79 -8.285 10.465 4.579 401 H LYS 80 H LYS 80 -7.921 8.851 1.366 402 HA LYS 80 HA LYS 80 -10.140 7.200 2.100 403 HB2 LYS 80 2HB LYS 80 -10.899 7.355 -0.054 404 HB3 LYS 80 3HB LYS 80 -9.908 8.813 0.053 405 HG2 LYS 80 2HG LYS 80 -8.096 7.480 -1.160 406 HG3 LYS 80 3HG LYS 80 -9.268 6.192 -1.346 407 HD2 LYS 80 2HD LYS 80 -9.879 7.275 -3.257 408 HD3 LYS 80 3HD LYS 80 -10.763 8.354 -2.213 409 HE2 LYS 80 2HE LYS 80 -8.713 9.862 -2.171 410 HE3 LYS 80 3HE LYS 80 -7.972 8.796 -3.386 411 HZ1 LYS 80 3HZ LYS 80 -10.531 10.232 -3.804 412 HZ2 LYS 80 1HZ LYS 80 -9.084 10.687 -4.412 413 HZ3 LYS 80 2HZ LYS 80 -9.746 9.272 -4.887 414 H ALA 81 H ALA 81 -6.996 6.340 0.679 415 HA ALA 81 HA ALA 81 -7.539 3.625 0.211 416 HB1 ALA 81 1HB ALA 81 -5.131 3.237 0.453 417 HB2 ALA 81 2HB ALA 81 -5.481 4.658 -0.517 418 HB3 ALA 81 3HB ALA 81 -4.930 4.858 1.153 419 H ILE 82 H ILE 82 -6.382 5.230 3.264 420 HA ILE 82 HA ILE 82 -6.365 2.997 4.955 421 HB ILE 82 HB ILE 82 -7.081 5.867 5.575 422 HG12 ILE 82 2HG1 ILE 82 -4.574 4.660 6.659 423 HG13 ILE 82 3HG1 ILE 82 -4.561 4.909 4.930 424 HG21 ILE 82 1HG2 ILE 82 -6.636 5.363 7.965 425 HG22 ILE 82 2HG2 ILE 82 -8.061 4.528 7.370 426 HG23 ILE 82 3HG2 ILE 82 -6.534 3.639 7.574 427 HD11 ILE 82 3HD1 ILE 82 -3.691 6.877 6.068 428 HD12 ILE 82 1HD1 ILE 82 -5.257 7.267 5.312 429 HD13 ILE 82 2HD1 ILE 82 -5.175 7.008 7.049 430 H GLU 83 H GLU 83 -9.104 5.299 4.485 431 HA GLU 83 HA GLU 83 -10.923 3.722 6.032 432 HB2 GLU 83 2HB GLU 83 -11.403 5.861 3.948 433 HB3 GLU 83 3HB GLU 83 -12.666 5.178 4.980 434 HG2 GLU 83 2HG GLU 83 -10.161 6.607 6.006 435 HG3 GLU 83 3HG GLU 83 -11.747 7.332 5.818 436 H GLU 84 H GLU 84 -9.960 3.316 2.701 437 HA GLU 84 HA GLU 84 -12.272 1.705 1.859 438 HB2 GLU 84 2HB GLU 84 -9.562 2.361 0.637 439 HB3 GLU 84 3HB GLU 84 -10.651 1.212 -0.099 440 HG2 GLU 84 2HG GLU 84 -11.599 4.011 0.470 441 HG3 GLU 84 3HG GLU 84 -10.608 3.674 -0.936 442 H VAL 85 H VAL 85 -8.924 1.048 2.949 443 HA VAL 85 HA VAL 85 -9.536 -1.871 3.015 444 HB VAL 85 HB VAL 85 -8.918 -1.320 0.763 445 HG11 VAL 85 1HG1 VAL 85 -6.383 -0.189 1.927 446 HG12 VAL 85 2HG1 VAL 85 -6.512 -0.704 0.236 447 HG13 VAL 85 3HG1 VAL 85 -7.558 0.578 0.858 448 HG21 VAL 85 3HG2 VAL 85 -7.288 -2.990 0.332 449 HG22 VAL 85 1HG2 VAL 85 -6.648 -2.869 1.975 450 HG23 VAL 85 2HG2 VAL 85 -8.277 -3.534 1.693 451 H HIS 86 H HIS 86 -7.839 0.652 4.665 452 HA HIS 86 HA HIS 86 -5.842 -1.030 5.920 453 HD1 HIS 86 HD1 HIS 86 -3.657 1.547 7.303 454 HD2 HIS 86 HD2 HIS 86 -6.671 -0.312 9.559 455 HE1 HIS 86 HE1 HIS 86 -2.570 0.854 9.520 456 HB2 HIS 86 2HB HIS 86 -5.928 1.456 6.110 457 HB3 HIS 86 3HB HIS 86 -7.297 1.307 7.202 458 H GLY 87 H GLY 87 -6.375 -2.959 6.836 459 HA2 GLY 87 2HA GLY 87 -6.779 -3.945 8.991 460 HA3 GLY 87 3HA GLY 87 -8.121 -2.835 9.262 461 H LYS 88 H LYS 88 -8.274 -3.787 6.107 462 HA LYS 88 HA LYS 88 -10.493 -5.707 6.444 463 HB2 LYS 88 2HB LYS 88 -9.152 -4.180 4.169 464 HB3 LYS 88 3HB LYS 88 -10.271 -5.419 3.869 465 HG2 LYS 88 2HG LYS 88 -11.396 -3.296 3.717 466 HG3 LYS 88 3HG LYS 88 -12.070 -4.170 5.096 467 HD2 LYS 88 2HD LYS 88 -11.041 -2.736 6.677 468 HD3 LYS 88 3HD LYS 88 -9.824 -2.195 5.522 469 HE2 LYS 88 2HE LYS 88 -11.638 -1.090 4.199 470 HE3 LYS 88 3HE LYS 88 -12.756 -1.441 5.523 471 HZ1 LYS 88 3HZ LYS 88 -11.798 0.795 5.700 472 HZ2 LYS 88 1HZ LYS 88 -11.318 -0.107 6.981 473 HZ3 LYS 88 2HZ LYS 88 -10.278 0.205 5.775 474 H SER 89 H SER 89 -10.284 -7.801 5.854 475 HA SER 89 HA SER 89 -7.578 -8.922 5.937 476 HG SER 89 HG SER 89 -10.786 -10.505 5.187 477 HB2 SER 89 2HB SER 89 -8.795 -11.098 6.159 478 HB3 SER 89 3HB SER 89 -9.109 -9.896 7.418 479 H PHE 90 H PHE 90 -6.489 -8.693 3.939 480 HA PHE 90 HA PHE 90 -7.838 -9.939 1.576 481 HD1 PHE 90 HD1 PHE 90 -4.777 -10.519 -0.207 482 HD2 PHE 90 HD2 PHE 90 -7.802 -7.453 -0.472 483 HE1 PHE 90 HE1 PHE 90 -5.169 -11.102 -2.589 484 HE2 PHE 90 HE2 PHE 90 -8.137 -7.991 -2.872 485 HZ PHE 90 HZ PHE 90 -6.866 -9.857 -3.905 486 HB2 PHE 90 2HB PHE 90 -6.695 -7.763 1.466 487 HB3 PHE 90 3HB PHE 90 -5.159 -8.531 1.696 488 H ALA 91 H ALA 91 -7.117 -11.773 0.607 489 HA ALA 91 HA ALA 91 -6.512 -13.909 0.453 490 HB1 ALA 91 1HB ALA 91 -3.840 -12.867 1.453 491 HB2 ALA 91 2HB ALA 91 -4.119 -14.418 0.638 492 HB3 ALA 91 3HB ALA 91 -4.423 -12.902 -0.220 493 H ASN 92 H ASN 92 -4.949 -13.056 3.572 494 HA ASN 92 HA ASN 92 -6.650 -14.909 5.054 495 HB2 ASN 92 2HB ASN 92 -4.820 -16.290 5.937 496 HB3 ASN 92 3HB ASN 92 -4.947 -16.452 4.197 497 HD21 ASN 92 1HD2 ASN 92 -3.029 -14.803 6.770 498 HD22 ASN 92 2HD2 ASN 92 -1.559 -14.814 5.814 499 H GLN 93 H GLN 93 -5.105 -11.938 4.990 500 HA GLN 93 HA GLN 93 -5.396 -11.481 7.856 501 HB2 GLN 93 2HB GLN 93 -3.041 -10.965 8.317 502 HB3 GLN 93 3HB GLN 93 -3.268 -12.653 7.922 503 HG2 GLN 93 2HG GLN 93 -2.467 -12.153 5.590 504 HG3 GLN 93 3HG GLN 93 -2.129 -10.496 6.132 505 HE21 GLN 93 2HE2 GLN 93 -0.334 -12.878 5.169 506 HE22 GLN 93 1HE2 GLN 93 0.873 -12.927 6.444 507 HA PRO 94 HA PRO 94 -6.012 -7.558 6.302 508 HB2 PRO 94 2HB PRO 94 -5.608 -5.809 8.418 509 HB3 PRO 94 3HB PRO 94 -6.931 -7.017 8.392 510 HG2 PRO 94 2HG PRO 94 -4.162 -7.318 9.623 511 HG3 PRO 94 3HG PRO 94 -5.751 -7.616 10.406 512 HD2 PRO 94 2HD PRO 94 -4.302 -9.612 9.351 513 HD3 PRO 94 3HD PRO 94 -6.078 -9.572 9.104 514 H LEU 95 H LEU 95 -5.460 -5.693 5.479 515 HA LEU 95 HA LEU 95 -2.691 -5.074 4.840 516 HG LEU 95 HG LEU 95 -4.783 -4.044 1.946 517 HB2 LEU 95 2HB LEU 95 -5.369 -3.680 4.433 518 HB3 LEU 95 3HB LEU 95 -3.873 -3.082 3.809 519 HD11 LEU 95 1HD1 LEU 95 -2.574 -4.986 2.162 520 HD12 LEU 95 2HD1 LEU 95 -3.250 -6.311 3.105 521 HD13 LEU 95 3HD1 LEU 95 -3.694 -6.144 1.404 522 HD21 LEU 95 3HD2 LEU 95 -6.708 -4.980 3.180 523 HD22 LEU 95 1HD2 LEU 95 -6.143 -5.750 1.703 524 HD23 LEU 95 2HD2 LEU 95 -5.748 -6.488 3.289 525 H GLU 96 H GLU 96 -1.636 -3.073 5.247 526 HA GLU 96 HA GLU 96 -2.413 -1.560 7.685 527 HB2 GLU 96 2HB GLU 96 -0.961 -3.447 8.178 528 HB3 GLU 96 3HB GLU 96 0.232 -2.882 7.035 529 HG2 GLU 96 2HG GLU 96 0.618 -0.870 8.411 530 HG3 GLU 96 3HG GLU 96 -0.662 -1.373 9.521 531 H VAL 97 H VAL 97 -3.187 -0.636 5.565 532 HA VAL 97 HA VAL 97 -1.545 0.850 3.721 533 HB VAL 97 HB VAL 97 -4.451 0.748 4.570 534 HG11 VAL 97 1HG1 VAL 97 -3.553 2.061 2.002 535 HG12 VAL 97 2HG1 VAL 97 -5.195 1.714 2.486 536 HG13 VAL 97 3HG1 VAL 97 -4.256 2.891 3.414 537 HG21 VAL 97 3HG2 VAL 97 -3.644 -0.261 1.847 538 HG22 VAL 97 1HG2 VAL 97 -2.993 -1.162 3.204 539 HG23 VAL 97 2HG2 VAL 97 -4.738 -0.974 3.058 540 H VAL 98 H VAL 98 -0.401 2.834 4.646 541 HA VAL 98 HA VAL 98 -2.053 4.554 6.343 542 HB VAL 98 HB VAL 98 -1.324 2.281 7.434 543 HG11 VAL 98 1HG1 VAL 98 1.197 3.476 8.410 544 HG12 VAL 98 2HG1 VAL 98 0.506 1.879 8.579 545 HG13 VAL 98 3HG1 VAL 98 1.114 2.352 7.008 546 HG21 VAL 98 3HG2 VAL 98 -1.430 4.859 8.848 547 HG22 VAL 98 1HG2 VAL 98 -2.735 3.758 8.269 548 HG23 VAL 98 2HG2 VAL 98 -1.617 3.217 9.546 549 H TYR 99 H TYR 99 0.886 4.822 7.582 550 HA TYR 99 HA TYR 99 1.936 6.931 5.746 551 HD1 TYR 99 HD2 TYR 99 0.021 8.111 6.095 552 HD2 TYR 99 HD1 TYR 99 1.001 8.068 10.299 553 HE1 TYR 99 HE2 TYR 99 -2.162 9.134 6.604 554 HE2 TYR 99 HE1 TYR 99 -1.175 9.155 10.802 555 HH TYR 99 HH TYR 99 -3.147 9.964 9.959 556 HB2 TYR 99 2HB TYR 99 2.226 6.683 8.753 557 HB3 TYR 99 3HB TYR 99 2.781 8.021 7.767 558 H SER 100 H SER 100 2.421 4.364 5.216 559 HA SER 100 HA SER 100 4.093 2.773 6.515 560 HG SER 100 HG SER 100 1.966 2.679 4.564 561 HB2 SER 100 2HB SER 100 3.946 2.691 3.555 562 HB3 SER 100 3HB SER 100 4.581 1.524 4.683 563 H LYS 101 H LYS 101 6.034 2.998 7.375 564 HA LYS 101 HA LYS 101 8.281 3.482 7.701 565 HB2 LYS 101 2HB LYS 101 7.925 1.229 6.719 566 HB3 LYS 101 3HB LYS 101 8.198 1.906 5.123 567 HG2 LYS 101 2HG LYS 101 10.547 2.658 6.178 568 HG3 LYS 101 3HG LYS 101 10.151 1.477 7.410 569 HD2 LYS 101 2HD LYS 101 11.599 0.555 5.644 570 HD3 LYS 101 3HD LYS 101 10.071 -0.313 5.745 571 HE2 LYS 101 2HE LYS 101 10.919 0.128 3.405 572 HE3 LYS 101 3HE LYS 101 9.257 0.633 3.705 573 HZ1 LYS 101 3HZ LYS 101 10.714 2.322 2.501 574 HZ2 LYS 101 1HZ LYS 101 9.974 2.917 3.856 575 HZ3 LYS 101 2HZ LYS 101 11.550 2.514 3.856 576 H LEU 102 H LEU 102 8.474 5.743 7.501 577 HA LEU 102 HA LEU 102 8.907 7.369 5.367 578 HG LEU 102 HG LEU 102 9.203 9.805 6.380 579 HB2 LEU 102 2HB LEU 102 8.779 7.901 7.816 580 HB3 LEU 102 3HB LEU 102 10.477 7.535 7.958 581 HD11 LEU 102 1HD1 LEU 102 11.073 9.812 8.792 582 HD12 LEU 102 2HD1 LEU 102 10.285 11.221 8.037 583 HD13 LEU 102 3HD1 LEU 102 9.312 10.005 8.874 584 HD21 LEU 102 3HD2 LEU 102 12.150 9.060 6.581 585 HD22 LEU 102 1HD2 LEU 102 11.182 9.333 5.106 586 HD23 LEU 102 2HD2 LEU 102 11.572 10.683 6.150 587 HA PRO 103 HA PRO 103 13.590 6.827 4.933 588 HB2 PRO 103 2HB PRO 103 14.957 4.637 5.880 589 HB3 PRO 103 3HB PRO 103 14.648 6.114 6.838 590 HG2 PRO 103 2HG PRO 103 13.050 3.530 6.841 591 HG3 PRO 103 3HG PRO 103 13.678 4.449 8.250 592 HD2 PRO 103 2HD PRO 103 11.128 4.742 7.435 593 HD3 PRO 103 3HD PRO 103 12.086 6.154 7.970 594 H ALA 104 H ALA 104 13.801 6.473 2.857 595 HA ALA 104 HA ALA 104 13.655 5.698 0.765 596 HB1 ALA 104 1HB ALA 104 14.569 3.502 0.263 597 HB2 ALA 104 2HB ALA 104 15.540 4.318 1.502 598 HB3 ALA 104 3HB ALA 104 14.420 3.014 1.963 Start of MODEL 11 1 H GLU 28 H GLU 28 9.021 13.812 7.105 2 HA GLU 28 HA GLU 28 9.160 13.787 10.043 3 HB2 GLU 28 2HB GLU 28 6.506 14.197 9.496 4 HB3 GLU 28 3HB GLU 28 7.680 15.372 10.040 5 HG2 GLU 28 2HG GLU 28 6.428 16.359 8.302 6 HG3 GLU 28 3HG GLU 28 8.061 16.132 7.704 7 H LEU 29 H LEU 29 7.102 12.403 7.420 8 HA LEU 29 HA LEU 29 7.792 9.740 8.423 9 HG LEU 29 HG LEU 29 4.450 8.296 9.205 10 HB2 LEU 29 2HB LEU 29 5.499 10.590 9.522 11 HB3 LEU 29 3HB LEU 29 4.820 10.219 7.992 12 HD11 LEU 29 1HD1 LEU 29 7.170 7.511 8.142 13 HD12 LEU 29 2HD1 LEU 29 5.702 6.528 8.264 14 HD13 LEU 29 3HD1 LEU 29 5.824 7.824 7.056 15 HD21 LEU 29 3HD2 LEU 29 6.067 7.186 10.673 16 HD22 LEU 29 1HD2 LEU 29 7.272 8.432 10.293 17 HD23 LEU 29 2HD2 LEU 29 5.793 8.868 11.184 18 H SER 30 H SER 30 5.281 10.954 6.292 19 HA SER 30 HA SER 30 6.567 11.060 3.884 20 HG SER 30 HG SER 30 7.600 8.721 4.470 21 HB2 SER 30 2HB SER 30 5.273 8.311 4.166 22 HB3 SER 30 3HB SER 30 5.510 9.128 2.622 23 H ASN 31 H ASN 31 3.592 10.169 5.541 24 HA ASN 31 HA ASN 31 1.421 10.610 5.354 25 HB2 ASN 31 2HB ASN 31 1.717 12.834 3.399 26 HB3 ASN 31 3HB ASN 31 0.591 12.640 4.717 27 HD21 ASN 31 1HD2 ASN 31 3.721 13.756 3.766 28 HD22 ASN 31 2HD2 ASN 31 4.163 14.486 5.312 29 H THR 32 H THR 32 3.053 9.240 2.856 30 HA THR 32 HA THR 32 0.644 8.950 1.116 31 HB THR 32 HB THR 32 1.999 9.535 -0.814 32 HG1 THR 32 1HG THR 32 4.047 10.349 -0.529 33 HG21 THR 32 1HG2 THR 32 0.767 11.371 0.351 34 HG22 THR 32 2HG2 THR 32 2.284 11.800 1.178 35 HG23 THR 32 3HG2 THR 32 2.177 11.888 -0.577 36 H ARG 33 H ARG 33 1.997 6.592 2.697 37 HA ARG 33 HA ARG 33 2.756 5.048 0.273 38 HE ARG 33 HE ARG 33 6.950 6.921 -1.023 39 HB2 ARG 33 2HB ARG 33 4.708 5.387 2.537 40 HB3 ARG 33 3HB ARG 33 4.651 4.038 1.458 41 HG2 ARG 33 2HG ARG 33 6.203 4.981 0.370 42 HG3 ARG 33 3HG ARG 33 4.859 5.757 -0.451 43 HD2 ARG 33 2HD ARG 33 5.213 7.776 0.968 44 HD3 ARG 33 3HD ARG 33 6.518 6.914 1.825 45 HH11 ARG 33 1HH1 ARG 33 7.770 8.783 1.831 46 HH12 ARG 33 2HH1 ARG 33 8.897 9.768 0.932 47 HH21 ARG 33 2HH2 ARG 33 8.124 8.343 -2.110 48 HH22 ARG 33 1HH2 ARG 33 9.174 9.450 -1.252 49 H LEU 34 H LEU 34 1.994 3.201 0.139 50 HA LEU 34 HA LEU 34 0.634 2.125 2.497 51 HG LEU 34 HG LEU 34 -2.009 2.903 0.052 52 HB2 LEU 34 2HB LEU 34 0.110 1.407 -0.278 53 HB3 LEU 34 3HB LEU 34 -0.942 1.179 1.077 54 HD11 LEU 34 1HD1 LEU 34 -0.171 4.831 1.451 55 HD12 LEU 34 2HD1 LEU 34 -1.912 4.880 1.208 56 HD13 LEU 34 3HD1 LEU 34 -1.235 3.744 2.362 57 HD21 LEU 34 3HD2 LEU 34 -0.931 3.430 -1.851 58 HD22 LEU 34 1HD2 LEU 34 -0.493 4.897 -0.951 59 HD23 LEU 34 2HD2 LEU 34 0.639 3.578 -1.084 60 H PHE 35 H PHE 35 1.613 0.585 3.596 61 HA PHE 35 HA PHE 35 3.451 -1.209 2.136 62 HD1 PHE 35 HD1 PHE 35 4.652 -3.118 3.082 63 HD2 PHE 35 HD2 PHE 35 5.247 -0.449 6.436 64 HE1 PHE 35 HE1 PHE 35 6.325 -4.657 4.016 65 HE2 PHE 35 HE2 PHE 35 6.916 -2.025 7.370 66 HZ PHE 35 HZ PHE 35 7.483 -4.118 6.150 67 HB2 PHE 35 2HB PHE 35 4.528 0.047 3.494 68 HB3 PHE 35 3HB PHE 35 3.559 0.146 4.815 69 H VAL 36 H VAL 36 2.403 -2.820 1.400 70 HA VAL 36 HA VAL 36 0.717 -4.422 3.261 71 HB VAL 36 HB VAL 36 -0.832 -4.821 1.421 72 HG11 VAL 36 1HG1 VAL 36 -0.459 -1.897 2.263 73 HG12 VAL 36 2HG1 VAL 36 -1.968 -2.683 1.747 74 HG13 VAL 36 3HG1 VAL 36 -1.186 -3.148 3.278 75 HG21 VAL 36 3HG2 VAL 36 -0.957 -3.408 -0.383 76 HG22 VAL 36 1HG2 VAL 36 0.305 -2.259 0.236 77 HG23 VAL 36 2HG2 VAL 36 0.747 -3.898 -0.356 78 H ARG 37 H ARG 37 1.097 -6.361 3.385 79 HA ARG 37 HA ARG 37 2.975 -7.804 1.577 80 HE ARG 37 HE ARG 37 4.031 -7.507 7.938 81 HB2 ARG 37 2HB ARG 37 4.479 -8.150 3.567 82 HB3 ARG 37 3HB ARG 37 4.411 -6.507 2.980 83 HG2 ARG 37 2HG ARG 37 3.361 -5.688 4.843 84 HG3 ARG 37 3HG ARG 37 2.531 -7.194 5.205 85 HD2 ARG 37 2HD ARG 37 4.667 -8.231 5.899 86 HD3 ARG 37 3HD ARG 37 5.524 -6.733 5.609 87 HH11 ARG 37 1HH2 ARG 37 4.542 -4.436 6.208 88 HH12 ARG 37 2HH2 ARG 37 3.963 -3.568 7.623 89 HH21 ARG 37 1HH1 ARG 37 3.379 -6.138 9.618 90 HH22 ARG 37 2HH1 ARG 37 3.418 -4.400 9.301 91 HA PRO 38 HA PRO 38 0.511 -10.886 4.296 92 HB2 PRO 38 2HB PRO 38 -2.014 -11.156 3.361 93 HB3 PRO 38 3HB PRO 38 -1.583 -9.796 4.460 94 HG2 PRO 38 2HG PRO 38 -1.691 -9.713 1.452 95 HG3 PRO 38 3HG PRO 38 -2.597 -8.728 2.602 96 HD2 PRO 38 2HD PRO 38 -0.210 -7.852 1.622 97 HD3 PRO 38 3HD PRO 38 -0.560 -7.602 3.349 98 H PHE 39 H PHE 39 0.612 -10.285 0.873 99 HA PHE 39 HA PHE 39 -0.272 -12.917 0.052 100 HD1 PHE 39 HD2 PHE 39 1.748 -9.291 -0.971 101 HD2 PHE 39 HD1 PHE 39 -2.481 -10.064 -1.263 102 HE1 PHE 39 HE2 PHE 39 1.284 -6.861 -0.765 103 HE2 PHE 39 HE1 PHE 39 -2.942 -7.649 -0.964 104 HZ PHE 39 HZ PHE 39 -1.064 -6.032 -0.770 105 HB2 PHE 39 2HB PHE 39 0.747 -11.382 -2.127 106 HB3 PHE 39 3HB PHE 39 -0.908 -11.811 -1.755 107 HA PRO 40 HA PRO 40 3.805 -14.559 -1.076 108 HB2 PRO 40 2HB PRO 40 3.155 -16.283 -3.085 109 HB3 PRO 40 3HB PRO 40 2.680 -16.586 -1.395 110 HG2 PRO 40 2HG PRO 40 0.999 -15.319 -3.587 111 HG3 PRO 40 3HG PRO 40 0.550 -16.673 -2.498 112 HD2 PRO 40 2HD PRO 40 -0.156 -14.083 -2.009 113 HD3 PRO 40 3HD PRO 40 0.240 -15.211 -0.684 114 H LEU 41 H LEU 41 5.004 -14.903 -3.351 115 HA LEU 41 HA LEU 41 5.517 -12.383 -4.489 116 HG LEU 41 HG LEU 41 7.898 -13.085 -4.277 117 HB2 LEU 41 2HB LEU 41 6.068 -15.209 -5.489 118 HB3 LEU 41 3HB LEU 41 6.632 -13.767 -6.318 119 HD11 LEU 41 1HD1 LEU 41 8.514 -14.905 -2.667 120 HD12 LEU 41 2HD1 LEU 41 6.854 -14.364 -2.487 121 HD13 LEU 41 3HD1 LEU 41 7.199 -15.899 -3.325 122 HD21 LEU 41 3HD2 LEU 41 8.958 -14.208 -6.197 123 HD22 LEU 41 1HD2 LEU 41 9.728 -14.682 -4.684 124 HD23 LEU 41 2HD2 LEU 41 8.595 -15.794 -5.482 125 H ASP 42 H ASP 42 2.926 -14.509 -5.297 126 HA ASP 42 HA ASP 42 2.376 -13.849 -7.983 127 HB2 ASP 42 2HB ASP 42 0.461 -14.585 -5.742 128 HB3 ASP 42 3HB ASP 42 0.109 -14.668 -7.463 129 H VAL 43 H VAL 43 1.863 -11.752 -5.154 130 HA VAL 43 HA VAL 43 -0.206 -10.160 -6.435 131 HB VAL 43 HB VAL 43 0.156 -10.025 -4.012 132 HG11 VAL 43 1HG1 VAL 43 2.776 -8.626 -4.717 133 HG12 VAL 43 2HG1 VAL 43 1.998 -8.496 -3.159 134 HG13 VAL 43 3HG1 VAL 43 2.535 -10.080 -3.717 135 HG21 VAL 43 3HG2 VAL 43 -0.240 -7.667 -3.755 136 HG22 VAL 43 1HG2 VAL 43 0.530 -7.287 -5.293 137 HG23 VAL 43 2HG2 VAL 43 -1.000 -8.178 -5.257 138 H GLN 44 H GLN 44 -0.088 -8.193 -7.473 139 HA GLN 44 HA GLN 44 2.349 -7.048 -8.457 140 HB2 GLN 44 2HB GLN 44 2.132 -7.707 -10.836 141 HB3 GLN 44 3HB GLN 44 2.512 -9.050 -9.779 142 HG2 GLN 44 2HG GLN 44 -0.090 -9.494 -9.783 143 HG3 GLN 44 3HG GLN 44 -0.067 -8.464 -11.220 144 HE21 GLN 44 2HE2 GLN 44 0.832 -11.577 -9.829 145 HE22 GLN 44 1HE2 GLN 44 1.370 -12.298 -11.337 146 H GLU 45 H GLU 45 1.714 -5.561 -10.464 147 HA GLU 45 HA GLU 45 0.151 -3.627 -9.212 148 HB2 GLU 45 2HB GLU 45 1.883 -3.520 -11.271 149 HB3 GLU 45 3HB GLU 45 0.381 -3.502 -12.206 150 HG2 GLU 45 2HG GLU 45 -0.272 -1.624 -10.365 151 HG3 GLU 45 3HG GLU 45 1.472 -1.506 -10.227 152 H SER 46 H SER 46 -1.112 -6.110 -11.493 153 HA SER 46 HA SER 46 -3.646 -4.834 -11.933 154 HG SER 46 HG SER 46 -2.583 -8.392 -11.410 155 HB2 SER 46 2HB SER 46 -4.363 -7.319 -12.313 156 HB3 SER 46 3HB SER 46 -3.259 -6.504 -13.430 157 H GLU 47 H GLU 47 -2.453 -6.680 -9.126 158 HA GLU 47 HA GLU 47 -5.119 -7.332 -8.071 159 HB2 GLU 47 2HB GLU 47 -2.172 -7.887 -7.538 160 HB3 GLU 47 3HB GLU 47 -3.253 -7.958 -6.191 161 HG2 GLU 47 2HG GLU 47 -2.906 -10.152 -7.285 162 HG3 GLU 47 3HG GLU 47 -4.606 -9.637 -7.280 163 H LEU 48 H LEU 48 -2.263 -5.297 -7.503 164 HA LEU 48 HA LEU 48 -3.379 -3.765 -5.336 165 HG LEU 48 HG LEU 48 -1.050 -5.191 -5.505 166 HB2 LEU 48 2HB LEU 48 -1.217 -3.157 -7.371 167 HB3 LEU 48 3HB LEU 48 -1.525 -2.244 -6.008 168 HD11 LEU 48 1HD1 LEU 48 1.263 -3.318 -5.980 169 HD12 LEU 48 2HD1 LEU 48 1.296 -5.057 -5.656 170 HD13 LEU 48 3HD1 LEU 48 0.682 -4.457 -7.204 171 HD21 LEU 48 3HD2 LEU 48 0.261 -4.289 -3.692 172 HD22 LEU 48 1HD2 LEU 48 -0.059 -2.609 -4.272 173 HD23 LEU 48 2HD2 LEU 48 -1.387 -3.677 -3.675 174 H ASN 49 H ASN 49 -3.515 -3.453 -8.906 175 HA ASN 49 HA ASN 49 -4.974 -0.957 -8.895 176 HB2 ASN 49 2HB ASN 49 -4.564 -3.084 -10.963 177 HB3 ASN 49 3HB ASN 49 -5.968 -2.058 -11.154 178 HD21 ASN 49 2HD2 ASN 49 -2.460 -1.915 -10.747 179 HD22 ASN 49 1HD2 ASN 49 -2.238 -0.476 -11.736 180 H GLU 50 H GLU 50 -6.220 -4.333 -8.761 181 HA GLU 50 HA GLU 50 -8.994 -3.635 -8.635 182 HB2 GLU 50 2HB GLU 50 -7.318 -5.939 -7.681 183 HB3 GLU 50 3HB GLU 50 -8.994 -5.843 -7.165 184 HG2 GLU 50 2HG GLU 50 -8.034 -5.792 -10.078 185 HG3 GLU 50 3HG GLU 50 -8.568 -7.238 -9.235 186 H ILE 51 H ILE 51 -6.569 -3.840 -6.015 187 HA ILE 51 HA ILE 51 -8.563 -3.339 -3.932 188 HB ILE 51 HB ILE 51 -5.576 -3.522 -4.042 189 HG12 ILE 51 2HG1 ILE 51 -7.491 -5.490 -2.743 190 HG13 ILE 51 3HG1 ILE 51 -6.975 -5.619 -4.419 191 HG21 ILE 51 1HG2 ILE 51 -5.599 -3.654 -1.514 192 HG22 ILE 51 2HG2 ILE 51 -6.113 -2.075 -2.091 193 HG23 ILE 51 3HG2 ILE 51 -7.332 -3.253 -1.558 194 HD11 ILE 51 3HD1 ILE 51 -5.516 -7.042 -3.236 195 HD12 ILE 51 1HD1 ILE 51 -4.554 -5.608 -3.600 196 HD13 ILE 51 2HD1 ILE 51 -5.213 -5.850 -1.958 197 H PHE 52 H PHE 52 -5.997 -1.341 -5.430 198 HA PHE 52 HA PHE 52 -6.496 0.918 -3.624 199 HD1 PHE 52 HD2 PHE 52 -4.309 -1.897 -4.173 200 HD2 PHE 52 HD1 PHE 52 -3.426 1.993 -2.588 201 HE1 PHE 52 HE2 PHE 52 -2.894 -2.949 -2.470 202 HE2 PHE 52 HE1 PHE 52 -1.815 0.939 -1.056 203 HZ PHE 52 HZ PHE 52 -1.395 -1.518 -1.141 204 HB2 PHE 52 2HB PHE 52 -4.379 0.320 -5.605 205 HB3 PHE 52 3HB PHE 52 -4.458 1.817 -4.703 206 H GLY 53 H GLY 53 -6.889 0.065 -7.033 207 HA2 GLY 53 2HA GLY 53 -7.119 2.531 -8.307 208 HA3 GLY 53 3HA GLY 53 -8.052 1.087 -8.701 209 HA PRO 54 HA PRO 54 -11.745 2.843 -6.669 210 HB2 PRO 54 2HB PRO 54 -11.300 1.776 -3.894 211 HB3 PRO 54 3HB PRO 54 -12.766 1.690 -4.918 212 HG2 PRO 54 2HG PRO 54 -11.197 -0.493 -4.606 213 HG3 PRO 54 3HG PRO 54 -11.811 -0.076 -6.246 214 HD2 PRO 54 2HD PRO 54 -9.159 0.665 -5.000 215 HD3 PRO 54 3HD PRO 54 -9.398 -0.189 -6.539 216 H PHE 55 H PHE 55 -8.759 3.339 -4.769 217 HA PHE 55 HA PHE 55 -9.770 5.555 -3.188 218 HD1 PHE 55 HD1 PHE 55 -9.781 3.563 -2.114 219 HD2 PHE 55 HD2 PHE 55 -5.511 3.543 -2.504 220 HE1 PHE 55 HE1 PHE 55 -9.711 1.357 -1.004 221 HE2 PHE 55 HE2 PHE 55 -5.417 1.417 -1.154 222 HZ PHE 55 HZ PHE 55 -7.541 0.313 -0.490 223 HB2 PHE 55 2HB PHE 55 -6.840 5.014 -3.816 224 HB3 PHE 55 3HB PHE 55 -7.537 5.844 -2.460 225 H GLY 56 H GLY 56 -7.919 5.172 -6.154 226 HA2 GLY 56 2HA GLY 56 -8.836 6.748 -7.852 227 HA3 GLY 56 3HA GLY 56 -8.299 8.051 -6.771 228 HA PRO 57 HA PRO 57 -4.274 7.768 -8.716 229 HB2 PRO 57 2HB PRO 57 -2.564 8.702 -6.830 230 HB3 PRO 57 3HB PRO 57 -3.859 9.741 -7.502 231 HG2 PRO 57 2HG PRO 57 -3.891 8.160 -4.914 232 HG3 PRO 57 3HG PRO 57 -4.322 9.880 -5.162 233 HD2 PRO 57 2HD PRO 57 -6.180 7.843 -5.108 234 HD3 PRO 57 3HD PRO 57 -6.408 9.319 -6.081 235 H MET 58 H MET 58 -2.342 6.605 -8.775 236 HA MET 58 HA MET 58 -1.369 4.844 -6.631 237 HB2 MET 58 2HB MET 58 -1.777 3.672 -9.341 238 HB3 MET 58 3HB MET 58 -1.207 2.874 -7.894 239 HG2 MET 58 2HG MET 58 -3.514 3.215 -6.882 240 HG3 MET 58 3HG MET 58 -4.063 3.760 -8.476 241 HE1 MET 58 3HE MET 58 -2.736 -0.429 -7.185 242 HE2 MET 58 1HE MET 58 -1.474 0.699 -7.715 243 HE3 MET 58 2HE MET 58 -2.522 1.115 -6.331 244 H LYS 59 H LYS 59 -0.358 6.962 -7.094 245 HA LYS 59 HA LYS 59 1.186 7.620 -9.324 246 HB2 LYS 59 2HB LYS 59 0.676 9.260 -7.784 247 HB3 LYS 59 3HB LYS 59 1.252 8.302 -6.447 248 HG2 LYS 59 2HG LYS 59 3.121 9.589 -8.422 249 HG3 LYS 59 3HG LYS 59 2.564 10.276 -6.899 250 HD2 LYS 59 2HD LYS 59 3.417 7.882 -5.943 251 HD3 LYS 59 3HD LYS 59 4.465 8.043 -7.345 252 HE2 LYS 59 2HE LYS 59 4.471 10.568 -6.176 253 HE3 LYS 59 3HE LYS 59 4.404 9.439 -4.800 254 HZ1 LYS 59 3HZ LYS 59 6.377 8.508 -6.612 255 HZ2 LYS 59 1HZ LYS 59 6.682 10.092 -6.303 256 HZ3 LYS 59 2HZ LYS 59 6.569 9.009 -5.074 257 H GLU 60 H GLU 60 1.953 5.269 -6.827 258 HA GLU 60 HA GLU 60 3.880 4.059 -8.533 259 HB2 GLU 60 2HB GLU 60 4.980 5.995 -6.614 260 HB3 GLU 60 3HB GLU 60 5.532 4.380 -6.216 261 HG2 GLU 60 2HG GLU 60 6.491 4.094 -8.428 262 HG3 GLU 60 3HG GLU 60 5.827 5.636 -8.970 263 H VAL 61 H VAL 61 4.847 2.220 -7.847 264 HA VAL 61 HA VAL 61 3.474 0.700 -5.720 265 HB VAL 61 HB VAL 61 3.311 -0.352 -8.577 266 HG11 VAL 61 1HG1 VAL 61 2.708 -1.623 -6.442 267 HG12 VAL 61 2HG1 VAL 61 1.263 -0.591 -6.372 268 HG13 VAL 61 3HG1 VAL 61 1.502 -1.616 -7.767 269 HG21 VAL 61 3HG2 VAL 61 1.034 0.467 -8.948 270 HG22 VAL 61 1HG2 VAL 61 1.184 1.556 -7.562 271 HG23 VAL 61 2HG2 VAL 61 2.220 1.766 -8.990 272 H LYS 62 H LYS 62 5.543 0.666 -4.875 273 HA LYS 62 HA LYS 62 7.776 -0.607 -6.336 274 HB2 LYS 62 2HB LYS 62 7.424 -0.221 -3.349 275 HB3 LYS 62 3HB LYS 62 8.932 -0.417 -4.189 276 HG2 LYS 62 2HG LYS 62 7.296 2.042 -4.902 277 HG3 LYS 62 3HG LYS 62 7.872 1.939 -3.276 278 HD2 LYS 62 2HD LYS 62 9.447 3.201 -4.607 279 HD3 LYS 62 3HD LYS 62 10.202 1.706 -4.067 280 HE2 LYS 62 2HE LYS 62 10.841 2.118 -6.352 281 HE3 LYS 62 3HE LYS 62 9.805 0.687 -6.297 282 HZ1 LYS 62 3HZ LYS 62 9.214 2.230 -8.116 283 HZ2 LYS 62 1HZ LYS 62 7.965 2.107 -7.061 284 HZ3 LYS 62 2HZ LYS 62 8.919 3.442 -7.058 285 H ILE 63 H ILE 63 7.747 -2.814 -6.672 286 HA ILE 63 HA ILE 63 6.282 -4.544 -4.719 287 HB ILE 63 HB ILE 63 6.177 -4.825 -7.738 288 HG12 ILE 63 2HG1 ILE 63 4.051 -3.957 -5.718 289 HG13 ILE 63 3HG1 ILE 63 4.825 -2.931 -6.917 290 HG21 ILE 63 1HG2 ILE 63 4.568 -6.658 -7.300 291 HG22 ILE 63 2HG2 ILE 63 6.105 -7.029 -6.555 292 HG23 ILE 63 3HG2 ILE 63 4.769 -6.432 -5.547 293 HD11 ILE 63 3HD1 ILE 63 2.873 -5.159 -7.445 294 HD12 ILE 63 1HD1 ILE 63 2.674 -3.448 -7.755 295 HD13 ILE 63 2HD1 ILE 63 3.824 -4.363 -8.744 296 H LEU 64 H LEU 64 7.192 -6.156 -3.933 297 HA LEU 64 HA LEU 64 9.731 -7.318 -4.985 298 HG LEU 64 HG LEU 64 11.284 -5.177 -3.809 299 HB2 LEU 64 2HB LEU 64 9.170 -6.499 -2.127 300 HB3 LEU 64 3HB LEU 64 10.639 -7.198 -2.744 301 HD11 LEU 64 1HD1 LEU 64 10.002 -2.996 -2.989 302 HD12 LEU 64 2HD1 LEU 64 9.705 -3.746 -4.541 303 HD13 LEU 64 3HD1 LEU 64 8.594 -4.056 -3.200 304 HD21 LEU 64 3HD2 LEU 64 11.626 -3.890 -1.728 305 HD22 LEU 64 1HD2 LEU 64 10.401 -4.928 -0.946 306 HD23 LEU 64 2HD2 LEU 64 11.903 -5.631 -1.551 307 H ASN 65 H ASN 65 10.178 -8.965 -2.962 308 HA ASN 65 HA ASN 65 9.267 -11.389 -3.592 309 HB2 ASN 65 2HB ASN 65 10.087 -11.059 -0.747 310 HB3 ASN 65 3HB ASN 65 10.732 -12.122 -1.985 311 HD21 ASN 65 2HD2 ASN 65 12.291 -10.981 -3.598 312 HD22 ASN 65 1HD2 ASN 65 13.092 -9.523 -2.994 313 H GLY 66 H GLY 66 6.743 -10.110 -3.019 314 HA2 GLY 66 2HA GLY 66 4.712 -11.215 -2.161 315 HA3 GLY 66 3HA GLY 66 5.566 -11.601 -0.684 316 H PHE 67 H PHE 67 6.362 -8.523 -2.097 317 HA PHE 67 HA PHE 67 4.750 -7.132 0.008 318 HD1 PHE 67 HD2 PHE 67 5.697 -8.126 1.896 319 HD2 PHE 67 HD1 PHE 67 9.426 -7.915 -0.221 320 HE1 PHE 67 HE2 PHE 67 6.596 -9.867 3.388 321 HE2 PHE 67 HE1 PHE 67 10.324 -9.715 1.205 322 HZ PHE 67 HZ PHE 67 8.942 -10.699 3.027 323 HB2 PHE 67 2HB PHE 67 7.564 -6.431 -0.804 324 HB3 PHE 67 3HB PHE 67 6.682 -5.902 0.608 325 H ALA 68 H ALA 68 4.030 -5.147 -0.376 326 HA ALA 68 HA ALA 68 4.687 -3.715 -2.922 327 HB1 ALA 68 1HB ALA 68 2.286 -3.234 -3.170 328 HB2 ALA 68 2HB ALA 68 2.755 -4.919 -3.494 329 HB3 ALA 68 3HB ALA 68 1.954 -4.516 -1.976 330 H PHE 69 H PHE 69 5.159 -1.773 -2.609 331 HA PHE 69 HA PHE 69 4.250 -0.283 -0.223 332 HD1 PHE 69 HD1 PHE 69 7.304 -2.210 -1.966 333 HD2 PHE 69 HD2 PHE 69 7.024 -0.684 2.052 334 HE1 PHE 69 HE1 PHE 69 8.366 -4.251 -1.106 335 HE2 PHE 69 HE2 PHE 69 8.271 -2.663 2.872 336 HZ PHE 69 HZ PHE 69 9.024 -4.444 1.217 337 HB2 PHE 69 2HB PHE 69 6.942 0.331 -1.370 338 HB3 PHE 69 3HB PHE 69 6.294 0.683 0.197 339 H VAL 70 H VAL 70 2.561 0.304 -1.422 340 HA VAL 70 HA VAL 70 2.888 1.692 -3.995 341 HB VAL 70 HB VAL 70 0.316 1.572 -2.378 342 HG11 VAL 70 1HG1 VAL 70 0.268 2.815 -4.614 343 HG12 VAL 70 2HG1 VAL 70 0.831 1.273 -5.355 344 HG13 VAL 70 3HG1 VAL 70 -0.748 1.343 -4.596 345 HG21 VAL 70 3HG2 VAL 70 1.036 -0.739 -2.504 346 HG22 VAL 70 1HG2 VAL 70 -0.242 -0.457 -3.695 347 HG23 VAL 70 2HG2 VAL 70 1.477 -0.481 -4.230 348 H GLU 71 H GLU 71 2.134 3.905 -4.293 349 HA GLU 71 HA GLU 71 2.769 5.670 -1.974 350 HB2 GLU 71 2HB GLU 71 4.874 4.888 -3.163 351 HB3 GLU 71 3HB GLU 71 4.276 5.662 -4.616 352 HG2 GLU 71 2HG GLU 71 4.373 7.825 -3.670 353 HG3 GLU 71 3HG GLU 71 4.523 7.215 -2.034 354 H PHE 72 H PHE 72 2.030 7.725 -2.270 355 HA PHE 72 HA PHE 72 0.459 8.381 -4.707 356 HD1 PHE 72 HD2 PHE 72 -1.085 6.808 -4.780 357 HD2 PHE 72 HD1 PHE 72 -1.789 7.765 -0.642 358 HE1 PHE 72 HE2 PHE 72 -2.442 4.749 -4.521 359 HE2 PHE 72 HE1 PHE 72 -3.243 5.760 -0.436 360 HZ PHE 72 HZ PHE 72 -3.536 4.246 -2.361 361 HB2 PHE 72 2HB PHE 72 -0.191 9.004 -1.818 362 HB3 PHE 72 3HB PHE 72 -1.151 9.461 -3.209 363 H GLU 73 H GLU 73 -0.046 10.615 -4.993 364 HA GLU 73 HA GLU 73 1.931 12.574 -3.918 365 HB2 GLU 73 2HB GLU 73 1.583 13.905 -5.938 366 HB3 GLU 73 3HB GLU 73 2.278 12.329 -6.273 367 HG2 GLU 73 2HG GLU 73 -0.033 11.504 -6.913 368 HG3 GLU 73 3HG GLU 73 -0.646 13.136 -6.665 369 H GLU 74 H GLU 74 -0.715 11.450 -2.982 370 HA GLU 74 HA GLU 74 -2.290 13.915 -2.445 371 HB2 GLU 74 2HB GLU 74 -3.227 12.706 -4.437 372 HB3 GLU 74 3HB GLU 74 -3.388 11.248 -3.459 373 HG2 GLU 74 2HG GLU 74 -4.909 12.552 -1.905 374 HG3 GLU 74 3HG GLU 74 -4.826 13.905 -3.036 375 H ALA 75 H ALA 75 -1.712 13.961 -0.249 376 HA ALA 75 HA ALA 75 -1.508 11.699 1.450 377 HB1 ALA 75 1HB ALA 75 -2.206 14.589 2.125 378 HB2 ALA 75 2HB ALA 75 -1.627 13.354 3.266 379 HB3 ALA 75 3HB ALA 75 -0.564 13.916 1.968 380 H GLU 76 H GLU 76 -4.365 13.478 0.390 381 HA GLU 76 HA GLU 76 -6.245 12.285 2.232 382 HB2 GLU 76 2HB GLU 76 -6.690 13.321 -0.596 383 HB3 GLU 76 3HB GLU 76 -7.949 12.960 0.579 384 HG2 GLU 76 2HG GLU 76 -5.805 15.110 0.900 385 HG3 GLU 76 3HG GLU 76 -7.459 15.381 0.375 386 H SER 77 H SER 77 -4.660 11.005 -0.680 387 HA SER 77 HA SER 77 -6.466 8.697 -0.792 388 HG SER 77 HG SER 77 -4.410 6.888 -2.469 389 HB2 SER 77 2HB SER 77 -5.253 9.454 -2.823 390 HB3 SER 77 3HB SER 77 -3.746 8.898 -2.103 391 H ALA 78 H ALA 78 -3.345 9.431 0.746 392 HA ALA 78 HA ALA 78 -3.031 6.718 1.685 393 HB1 ALA 78 1HB ALA 78 -1.402 7.657 3.192 394 HB2 ALA 78 2HB ALA 78 -1.283 8.430 1.591 395 HB3 ALA 78 3HB ALA 78 -2.060 9.300 2.931 396 H ALA 79 H ALA 79 -4.504 9.631 3.235 397 HA ALA 79 HA ALA 79 -5.597 8.451 5.529 398 HB1 ALA 79 1HB ALA 79 -7.186 10.298 5.485 399 HB2 ALA 79 2HB ALA 79 -5.565 10.862 5.039 400 HB3 ALA 79 3HB ALA 79 -6.806 10.626 3.786 401 H LYS 80 H LYS 80 -7.254 8.673 2.290 402 HA LYS 80 HA LYS 80 -9.408 7.083 3.296 403 HB2 LYS 80 2HB LYS 80 -10.465 7.415 1.320 404 HB3 LYS 80 3HB LYS 80 -9.297 8.728 1.222 405 HG2 LYS 80 2HG LYS 80 -7.895 7.103 -0.233 406 HG3 LYS 80 3HG LYS 80 -9.307 6.064 -0.230 407 HD2 LYS 80 2HD LYS 80 -9.894 7.322 -2.092 408 HD3 LYS 80 3HD LYS 80 -10.535 8.437 -0.893 409 HE2 LYS 80 2HE LYS 80 -8.356 9.671 -0.909 410 HE3 LYS 80 3HE LYS 80 -7.749 8.519 -2.123 411 HZ1 LYS 80 3HZ LYS 80 -9.328 9.291 -3.677 412 HZ2 LYS 80 1HZ LYS 80 -10.002 10.359 -2.610 413 HZ3 LYS 80 2HZ LYS 80 -8.444 10.562 -3.116 414 H ALA 81 H ALA 81 -6.511 6.148 1.490 415 HA ALA 81 HA ALA 81 -7.199 3.461 0.991 416 HB1 ALA 81 1HB ALA 81 -4.433 4.576 1.569 417 HB2 ALA 81 2HB ALA 81 -4.813 3.043 0.753 418 HB3 ALA 81 3HB ALA 81 -5.261 4.555 0.001 419 H ILE 82 H ILE 82 -5.676 5.016 3.876 420 HA ILE 82 HA ILE 82 -5.407 2.763 5.509 421 HB ILE 82 HB ILE 82 -5.997 5.620 6.293 422 HG12 ILE 82 2HG1 ILE 82 -3.354 4.342 6.887 423 HG13 ILE 82 3HG1 ILE 82 -3.646 4.752 5.206 424 HG21 ILE 82 1HG2 ILE 82 -6.688 4.221 8.182 425 HG22 ILE 82 2HG2 ILE 82 -5.146 3.337 8.124 426 HG23 ILE 82 3HG2 ILE 82 -5.191 5.048 8.580 427 HD11 ILE 82 3HD1 ILE 82 -2.558 6.617 6.315 428 HD12 ILE 82 1HD1 ILE 82 -4.232 7.058 5.925 429 HD13 ILE 82 2HD1 ILE 82 -3.808 6.648 7.591 430 H GLU 83 H GLU 83 -8.126 5.125 5.524 431 HA GLU 83 HA GLU 83 -9.737 3.586 7.293 432 HB2 GLU 83 2HB GLU 83 -10.485 5.707 5.267 433 HB3 GLU 83 3HB GLU 83 -11.597 5.055 6.478 434 HG2 GLU 83 2HG GLU 83 -8.968 6.490 7.103 435 HG3 GLU 83 3HG GLU 83 -10.573 7.201 7.167 436 H GLU 84 H GLU 84 -9.347 3.245 3.840 437 HA GLU 84 HA GLU 84 -11.750 1.673 3.318 438 HB2 GLU 84 2HB GLU 84 -9.140 2.118 1.812 439 HB3 GLU 84 3HB GLU 84 -10.375 1.024 1.215 440 HG2 GLU 84 2HG GLU 84 -11.088 3.858 1.854 441 HG3 GLU 84 3HG GLU 84 -10.259 3.508 0.353 442 H VAL 85 H VAL 85 -8.288 0.840 3.867 443 HA VAL 85 HA VAL 85 -9.077 -1.987 4.328 444 HB VAL 85 HB VAL 85 -9.058 -1.421 1.894 445 HG11 VAL 85 1HG1 VAL 85 -7.181 0.031 1.727 446 HG12 VAL 85 2HG1 VAL 85 -6.086 -1.310 2.213 447 HG13 VAL 85 3HG1 VAL 85 -6.961 -1.387 0.687 448 HG21 VAL 85 3HG2 VAL 85 -8.042 -3.508 1.174 449 HG22 VAL 85 1HG2 VAL 85 -7.366 -3.730 2.798 450 HG23 VAL 85 2HG2 VAL 85 -9.115 -3.683 2.576 451 H HIS 86 H HIS 86 -7.089 0.371 5.538 452 HA HIS 86 HA HIS 86 -4.768 -1.269 6.196 453 HD1 HIS 86 HD1 HIS 86 -2.426 1.501 7.244 454 HD2 HIS 86 HD2 HIS 86 -4.849 -0.590 9.964 455 HE1 HIS 86 HE1 HIS 86 -0.953 0.986 9.265 456 HB2 HIS 86 2HB HIS 86 -4.823 1.173 6.431 457 HB3 HIS 86 3HB HIS 86 -5.964 1.043 7.761 458 H GLY 87 H GLY 87 -4.886 -3.131 7.302 459 HA2 GLY 87 2HA GLY 87 -4.827 -4.187 9.427 460 HA3 GLY 87 3HA GLY 87 -6.068 -3.104 10.048 461 H LYS 88 H LYS 88 -7.151 -3.867 7.130 462 HA LYS 88 HA LYS 88 -9.071 -5.968 7.794 463 HB2 LYS 88 2HB LYS 88 -8.229 -4.371 5.337 464 HB3 LYS 88 3HB LYS 88 -9.342 -5.648 5.246 465 HG2 LYS 88 2HG LYS 88 -10.580 -3.615 5.303 466 HG3 LYS 88 3HG LYS 88 -10.908 -4.447 6.817 467 HD2 LYS 88 2HD LYS 88 -9.700 -2.880 8.103 468 HD3 LYS 88 3HD LYS 88 -8.676 -2.426 6.729 469 HE2 LYS 88 2HE LYS 88 -10.598 -1.364 5.627 470 HE3 LYS 88 3HE LYS 88 -11.589 -1.662 7.057 471 HZ1 LYS 88 3HZ LYS 88 -10.630 0.581 7.042 472 HZ2 LYS 88 1HZ LYS 88 -10.045 -0.260 8.332 473 HZ3 LYS 88 2HZ LYS 88 -9.104 -0.007 7.023 474 H SER 89 H SER 89 -8.851 -8.032 7.193 475 HA SER 89 HA SER 89 -6.193 -9.094 6.595 476 HG SER 89 HG SER 89 -9.455 -10.642 6.328 477 HB2 SER 89 2HB SER 89 -7.333 -11.312 6.845 478 HB3 SER 89 3HB SER 89 -7.423 -10.240 8.256 479 H PHE 90 H PHE 90 -5.512 -8.783 4.454 480 HA PHE 90 HA PHE 90 -7.398 -9.695 2.292 481 HD1 PHE 90 HD1 PHE 90 -7.894 -7.461 0.441 482 HD2 PHE 90 HD2 PHE 90 -4.321 -9.812 -0.034 483 HE1 PHE 90 HE1 PHE 90 -8.550 -7.969 -1.895 484 HE2 PHE 90 HE2 PHE 90 -4.980 -10.332 -2.388 485 HZ PHE 90 HZ PHE 90 -7.129 -9.458 -3.278 486 HB2 PHE 90 2HB PHE 90 -6.160 -7.485 2.143 487 HB3 PHE 90 3HB PHE 90 -4.690 -8.434 2.014 488 H ALA 91 H ALA 91 -6.839 -11.393 0.971 489 HA ALA 91 HA ALA 91 -6.195 -13.464 0.433 490 HB1 ALA 91 1HB ALA 91 -4.211 -12.255 -0.285 491 HB2 ALA 91 2HB ALA 91 -3.447 -12.473 1.287 492 HB3 ALA 91 3HB ALA 91 -3.786 -13.888 0.262 493 H ASN 92 H ASN 92 -4.350 -12.940 3.468 494 HA ASN 92 HA ASN 92 -6.013 -14.805 4.934 495 HB2 ASN 92 2HB ASN 92 -4.224 -16.382 5.569 496 HB3 ASN 92 3HB ASN 92 -4.515 -16.420 3.841 497 HD21 ASN 92 2HD2 ASN 92 -2.234 -15.255 6.346 498 HD22 ASN 92 1HD2 ASN 92 -0.898 -15.083 5.223 499 H GLN 93 H GLN 93 -4.174 -11.974 4.956 500 HA GLN 93 HA GLN 93 -4.161 -11.720 7.855 501 HB2 GLN 93 2HB GLN 93 -1.750 -11.605 8.178 502 HB3 GLN 93 3HB GLN 93 -2.240 -13.180 7.618 503 HG2 GLN 93 2HG GLN 93 -1.544 -12.362 5.268 504 HG3 GLN 93 3HG GLN 93 -0.739 -11.033 6.129 505 HE21 GLN 93 2HE2 GLN 93 0.380 -13.375 4.468 506 HE22 GLN 93 1HE2 GLN 93 1.480 -14.159 5.594 507 HA PRO 94 HA PRO 94 -4.580 -7.693 6.725 508 HB2 PRO 94 2HB PRO 94 -3.794 -6.161 8.907 509 HB3 PRO 94 3HB PRO 94 -5.164 -7.312 8.938 510 HG2 PRO 94 2HG PRO 94 -2.285 -7.833 9.764 511 HG3 PRO 94 3HG PRO 94 -3.778 -8.110 10.727 512 HD2 PRO 94 2HD PRO 94 -2.567 -10.072 9.335 513 HD3 PRO 94 3HD PRO 94 -4.354 -9.963 9.342 514 H LEU 95 H LEU 95 -4.084 -5.594 6.431 515 HA LEU 95 HA LEU 95 -1.574 -5.068 4.996 516 HG LEU 95 HG LEU 95 -2.890 -4.632 2.599 517 HB2 LEU 95 2HB LEU 95 -4.496 -4.235 5.080 518 HB3 LEU 95 3HB LEU 95 -3.363 -3.175 4.306 519 HD11 LEU 95 1HD1 LEU 95 -4.098 -7.025 3.847 520 HD12 LEU 95 2HD1 LEU 95 -3.217 -6.790 2.284 521 HD13 LEU 95 3HD1 LEU 95 -2.359 -6.640 3.797 522 HD21 LEU 95 3HD2 LEU 95 -4.919 -5.506 1.629 523 HD22 LEU 95 1HD2 LEU 95 -5.753 -5.299 3.189 524 HD23 LEU 95 2HD2 LEU 95 -5.161 -3.864 2.299 525 H GLU 96 H GLU 96 -0.275 -3.303 5.278 526 HA GLU 96 HA GLU 96 -0.918 -1.413 7.516 527 HB2 GLU 96 2HB GLU 96 0.947 -3.114 7.862 528 HB3 GLU 96 3HB GLU 96 1.898 -2.188 6.712 529 HG2 GLU 96 2HG GLU 96 1.385 -0.131 8.176 530 HG3 GLU 96 3HG GLU 96 0.850 -1.287 9.394 531 H VAL 97 H VAL 97 -2.039 -0.834 5.383 532 HA VAL 97 HA VAL 97 -0.791 0.758 3.322 533 HB VAL 97 HB VAL 97 -3.559 0.731 4.608 534 HG11 VAL 97 1HG1 VAL 97 -4.436 1.815 2.598 535 HG12 VAL 97 2HG1 VAL 97 -3.359 2.908 3.469 536 HG13 VAL 97 3HG1 VAL 97 -2.818 2.080 1.986 537 HG21 VAL 97 3HG2 VAL 97 -4.218 -0.421 2.462 538 HG22 VAL 97 1HG2 VAL 97 -2.534 -0.391 1.944 539 HG23 VAL 97 2HG2 VAL 97 -3.020 -1.331 3.369 540 H VAL 98 H VAL 98 0.568 2.529 4.110 541 HA VAL 98 HA VAL 98 -0.820 4.387 5.964 542 HB VAL 98 HB VAL 98 0.202 2.147 6.946 543 HG11 VAL 98 1HG1 VAL 98 2.210 1.983 7.869 544 HG12 VAL 98 2HG1 VAL 98 2.534 2.399 6.193 545 HG13 VAL 98 3HG1 VAL 98 2.716 3.611 7.521 546 HG21 VAL 98 3HG2 VAL 98 0.191 3.150 9.080 547 HG22 VAL 98 1HG2 VAL 98 0.114 4.767 8.308 548 HG23 VAL 98 2HG2 VAL 98 -1.170 3.544 8.002 549 H TYR 99 H TYR 99 2.169 4.884 6.693 550 HA TYR 99 HA TYR 99 2.825 6.814 4.520 551 HD1 TYR 99 HD1 TYR 99 0.995 8.035 4.883 552 HD2 TYR 99 HD2 TYR 99 2.155 8.128 9.037 553 HE1 TYR 99 HE1 TYR 99 -1.153 9.117 5.455 554 HE2 TYR 99 HE2 TYR 99 -0.025 9.163 9.616 555 HH TYR 99 HH TYR 99 -2.032 9.949 8.830 556 HB2 TYR 99 2HB TYR 99 3.453 6.880 7.477 557 HB3 TYR 99 3HB TYR 99 3.801 8.173 6.348 558 H SER 100 H SER 100 3.452 3.914 4.813 559 HA SER 100 HA SER 100 5.199 2.507 5.613 560 HG SER 100 HG SER 100 7.263 1.837 3.621 561 HB2 SER 100 2HB SER 100 4.419 2.146 3.348 562 HB3 SER 100 3HB SER 100 5.732 3.142 2.789 563 H LYS 101 H LYS 101 6.401 4.392 7.085 564 HA LYS 101 HA LYS 101 9.229 3.857 6.655 565 HB2 LYS 101 2HB LYS 101 8.407 6.090 5.281 566 HB3 LYS 101 3HB LYS 101 8.736 6.817 6.841 567 HG2 LYS 101 2HG LYS 101 11.064 5.769 6.744 568 HG3 LYS 101 3HG LYS 101 10.636 5.166 5.146 569 HD2 LYS 101 2HD LYS 101 11.730 7.041 4.517 570 HD3 LYS 101 3HD LYS 101 10.116 7.723 4.617 571 HE2 LYS 101 2HE LYS 101 12.321 7.913 6.748 572 HE3 LYS 101 3HE LYS 101 11.900 9.159 5.569 573 HZ1 LYS 101 3HZ LYS 101 10.255 8.287 7.876 574 HZ2 LYS 101 1HZ LYS 101 10.806 9.793 7.506 575 HZ3 LYS 101 2HZ LYS 101 9.625 9.132 6.603 576 H LEU 102 H LEU 102 10.602 4.841 8.385 577 HA LEU 102 HA LEU 102 9.324 4.812 11.018 578 HG LEU 102 HG LEU 102 12.480 6.773 11.022 579 HB2 LEU 102 2HB LEU 102 11.443 4.697 11.890 580 HB3 LEU 102 3HB LEU 102 11.666 3.900 10.364 581 HD11 LEU 102 1HD1 LEU 102 14.154 4.264 10.630 582 HD12 LEU 102 2HD1 LEU 102 14.766 5.903 10.949 583 HD13 LEU 102 3HD1 LEU 102 13.815 5.062 12.181 584 HD21 LEU 102 3HD2 LEU 102 13.012 5.115 8.519 585 HD22 LEU 102 1HD2 LEU 102 12.050 6.613 8.625 586 HD23 LEU 102 2HD2 LEU 102 13.786 6.666 8.905 587 HA PRO 103 HA PRO 103 8.884 9.300 11.488 588 HB2 PRO 103 2HB PRO 103 9.680 9.793 14.062 589 HB3 PRO 103 3HB PRO 103 8.121 9.040 13.616 590 HG2 PRO 103 2HG PRO 103 10.674 7.650 14.471 591 HG3 PRO 103 3HG PRO 103 9.003 7.360 15.051 592 HD2 PRO 103 2HD PRO 103 10.134 5.795 13.164 593 HD3 PRO 103 3HD PRO 103 8.409 6.240 13.054 594 H ALA 104 H ALA 104 10.199 10.259 10.156 595 HA ALA 104 HA ALA 104 12.733 11.410 10.890 596 HB1 ALA 104 1HB ALA 104 14.067 10.334 9.062 597 HB2 ALA 104 2HB ALA 104 13.617 9.183 10.334 598 HB3 ALA 104 3HB ALA 104 12.743 9.185 8.792 Start of MODEL 12 1 H GLU 28 H GLU 28 8.700 14.549 11.420 2 HA GLU 28 HA GLU 28 6.810 13.999 10.104 3 HB2 GLU 28 2HB GLU 28 9.148 14.236 8.177 4 HB3 GLU 28 3HB GLU 28 7.495 14.797 7.961 5 HG2 GLU 28 2HG GLU 28 9.665 15.995 9.704 6 HG3 GLU 28 3HG GLU 28 8.835 16.716 8.331 7 H LEU 29 H LEU 29 6.262 12.955 7.845 8 HA LEU 29 HA LEU 29 7.346 10.228 7.499 9 HG LEU 29 HG LEU 29 4.378 8.379 8.739 10 HB2 LEU 29 2HB LEU 29 4.908 10.742 8.919 11 HB3 LEU 29 3HB LEU 29 4.409 10.269 7.327 12 HD11 LEU 29 1HD1 LEU 29 6.946 7.795 7.242 13 HD12 LEU 29 2HD1 LEU 29 5.513 6.773 7.533 14 HD13 LEU 29 3HD1 LEU 29 5.435 8.074 6.373 15 HD21 LEU 29 3HD2 LEU 29 5.964 9.140 10.453 16 HD22 LEU 29 1HD2 LEU 29 6.273 7.472 9.931 17 HD23 LEU 29 2HD2 LEU 29 7.316 8.790 9.355 18 H SER 30 H SER 30 6.545 9.269 5.454 19 HA SER 30 HA SER 30 6.658 10.977 3.208 20 HG SER 30 HG SER 30 7.725 7.486 3.246 21 HB2 SER 30 2HB SER 30 5.581 8.134 3.317 22 HB3 SER 30 3HB SER 30 6.370 8.943 1.948 23 H ASN 31 H ASN 31 3.958 10.283 5.128 24 HA ASN 31 HA ASN 31 1.747 10.467 5.051 25 HB2 ASN 31 2HB ASN 31 2.235 12.826 3.286 26 HB3 ASN 31 3HB ASN 31 0.928 12.593 4.432 27 HD21 ASN 31 2HD2 ASN 31 3.306 14.594 4.196 28 HD22 ASN 31 1HD2 ASN 31 3.970 14.563 5.818 29 H THR 32 H THR 32 2.830 9.001 2.409 30 HA THR 32 HA THR 32 0.227 9.026 0.934 31 HB THR 32 HB THR 32 1.421 9.433 -1.144 32 HG1 THR 32 1HG THR 32 3.653 10.170 0.426 33 HG21 THR 32 1HG2 THR 32 1.870 11.740 -1.005 34 HG22 THR 32 2HG2 THR 32 0.474 11.378 0.019 35 HG23 THR 32 3HG2 THR 32 2.072 11.688 0.747 36 H ARG 33 H ARG 33 1.442 6.583 2.416 37 HA ARG 33 HA ARG 33 2.050 4.929 0.008 38 HE ARG 33 HE ARG 33 6.676 6.091 -1.274 39 HB2 ARG 33 2HB ARG 33 3.952 5.343 2.286 40 HB3 ARG 33 3HB ARG 33 3.985 3.921 1.219 41 HG2 ARG 33 2HG ARG 33 4.566 5.015 -0.596 42 HG3 ARG 33 3HG ARG 33 4.251 6.650 0.094 43 HD2 ARG 33 2HD ARG 33 6.209 6.647 1.323 44 HD3 ARG 33 3HD ARG 33 6.284 4.877 1.398 45 HH11 ARG 33 1HH1 ARG 33 8.406 4.797 1.481 46 HH12 ARG 33 2HH1 ARG 33 9.611 4.048 0.451 47 HH21 ARG 33 2HH2 ARG 33 8.247 5.420 -2.413 48 HH22 ARG 33 1HH2 ARG 33 9.673 4.623 -1.713 49 H LEU 34 H LEU 34 1.313 3.041 -0.044 50 HA LEU 34 HA LEU 34 0.008 2.052 2.388 51 HG LEU 34 HG LEU 34 -2.674 2.571 -0.080 52 HB2 LEU 34 2HB LEU 34 -0.596 1.050 -0.312 53 HB3 LEU 34 3HB LEU 34 -1.574 0.996 1.116 54 HD11 LEU 34 1HD1 LEU 34 -2.575 4.676 0.858 55 HD12 LEU 34 2HD1 LEU 34 -1.814 3.693 2.108 56 HD13 LEU 34 3HD1 LEU 34 -0.833 4.690 1.019 57 HD21 LEU 34 3HD2 LEU 34 -1.178 4.439 -1.359 58 HD22 LEU 34 1HD2 LEU 34 -0.091 3.073 -1.408 59 HD23 LEU 34 2HD2 LEU 34 -1.717 2.902 -2.062 60 H PHE 35 H PHE 35 1.157 0.766 3.555 61 HA PHE 35 HA PHE 35 3.107 -1.031 2.254 62 HD1 PHE 35 HD1 PHE 35 5.024 -2.258 3.185 63 HD2 PHE 35 HD2 PHE 35 3.664 -0.542 6.902 64 HE1 PHE 35 HE1 PHE 35 6.348 -3.936 4.448 65 HE2 PHE 35 HE2 PHE 35 4.998 -2.221 8.163 66 HZ PHE 35 HZ PHE 35 6.343 -3.919 6.934 67 HB2 PHE 35 2HB PHE 35 4.119 0.333 3.631 68 HB3 PHE 35 3HB PHE 35 2.995 0.507 4.822 69 H VAL 36 H VAL 36 2.278 -2.848 1.688 70 HA VAL 36 HA VAL 36 0.552 -4.347 3.605 71 HB VAL 36 HB VAL 36 -0.990 -4.845 1.751 72 HG11 VAL 36 1HG1 VAL 36 -0.713 -1.863 2.398 73 HG12 VAL 36 2HG1 VAL 36 -2.180 -2.711 1.890 74 HG13 VAL 36 3HG1 VAL 36 -1.442 -3.067 3.474 75 HG21 VAL 36 3HG2 VAL 36 0.612 -4.007 -0.043 76 HG22 VAL 36 1HG2 VAL 36 -1.085 -3.517 -0.154 77 HG23 VAL 36 2HG2 VAL 36 0.148 -2.345 0.444 78 H ARG 37 H ARG 37 0.989 -6.293 3.802 79 HA ARG 37 HA ARG 37 2.725 -7.812 1.941 80 HE ARG 37 HE ARG 37 1.385 -7.631 7.086 81 HB2 ARG 37 2HB ARG 37 4.441 -8.108 3.804 82 HB3 ARG 37 3HB ARG 37 4.314 -6.547 3.044 83 HG2 ARG 37 2HG ARG 37 4.653 -6.059 5.265 84 HG3 ARG 37 3HG ARG 37 2.964 -5.706 4.990 85 HD2 ARG 37 2HD ARG 37 3.164 -8.418 5.894 86 HD3 ARG 37 3HD ARG 37 4.180 -7.444 6.937 87 HH11 ARG 37 1HH1 ARG 37 3.818 -5.121 7.439 88 HH12 ARG 37 2HH1 ARG 37 2.771 -4.161 8.465 89 HH21 ARG 37 1HH2 ARG 37 0.011 -6.131 8.092 90 HH22 ARG 37 2HH2 ARG 37 0.767 -4.737 8.829 91 HA PRO 38 HA PRO 38 0.422 -10.712 4.887 92 HB2 PRO 38 2HB PRO 38 -2.065 -11.181 3.783 93 HB3 PRO 38 3HB PRO 38 -1.814 -9.865 4.955 94 HG2 PRO 38 2HG PRO 38 -1.853 -9.593 1.990 95 HG3 PRO 38 3HG PRO 38 -2.724 -8.680 3.230 96 HD2 PRO 38 2HD PRO 38 -0.380 -7.753 2.197 97 HD3 PRO 38 3HD PRO 38 -0.705 -7.541 3.938 98 H PHE 39 H PHE 39 0.088 -10.279 1.423 99 HA PHE 39 HA PHE 39 -0.522 -12.942 0.701 100 HD1 PHE 39 HD2 PHE 39 1.451 -9.332 -0.453 101 HD2 PHE 39 HD1 PHE 39 -2.768 -10.195 -0.687 102 HE1 PHE 39 HE2 PHE 39 0.938 -6.907 -0.310 103 HE2 PHE 39 HE1 PHE 39 -3.273 -7.786 -0.455 104 HZ PHE 39 HZ PHE 39 -1.427 -6.127 -0.324 105 HB2 PHE 39 2HB PHE 39 0.489 -11.484 -1.535 106 HB3 PHE 39 3HB PHE 39 -1.158 -11.930 -1.153 107 HA PRO 40 HA PRO 40 3.587 -14.568 -0.363 108 HB2 PRO 40 2HB PRO 40 2.908 -16.524 -2.143 109 HB3 PRO 40 3HB PRO 40 2.507 -16.645 -0.406 110 HG2 PRO 40 2HG PRO 40 0.710 -15.683 -2.653 111 HG3 PRO 40 3HG PRO 40 0.346 -16.914 -1.408 112 HD2 PRO 40 2HD PRO 40 -0.416 -14.297 -1.194 113 HD3 PRO 40 3HD PRO 40 0.046 -15.264 0.236 114 H LEU 41 H LEU 41 4.604 -15.207 -2.727 115 HA LEU 41 HA LEU 41 5.107 -12.843 -4.164 116 HG LEU 41 HG LEU 41 7.499 -13.712 -4.157 117 HB2 LEU 41 2HB LEU 41 5.394 -15.780 -4.937 118 HB3 LEU 41 3HB LEU 41 5.960 -14.455 -5.937 119 HD11 LEU 41 1HD1 LEU 41 6.669 -16.290 -2.757 120 HD12 LEU 41 2HD1 LEU 41 8.130 -15.357 -2.379 121 HD13 LEU 41 3HD1 LEU 41 6.554 -14.631 -2.110 122 HD21 LEU 41 3HD2 LEU 41 9.122 -15.523 -4.517 123 HD22 LEU 41 1HD2 LEU 41 7.812 -16.609 -5.040 124 HD23 LEU 41 2HD2 LEU 41 8.225 -15.176 -6.001 125 H ASP 42 H ASP 42 2.362 -14.901 -4.497 126 HA ASP 42 HA ASP 42 1.608 -14.531 -7.179 127 HB2 ASP 42 2HB ASP 42 -0.095 -14.977 -4.707 128 HB3 ASP 42 3HB ASP 42 -0.647 -15.167 -6.361 129 H VAL 43 H VAL 43 1.328 -12.128 -4.575 130 HA VAL 43 HA VAL 43 -0.781 -10.577 -5.817 131 HB VAL 43 HB VAL 43 -0.212 -10.319 -3.467 132 HG11 VAL 43 1HG1 VAL 43 2.321 -8.880 -4.374 133 HG12 VAL 43 2HG1 VAL 43 1.705 -8.964 -2.731 134 HG13 VAL 43 3HG1 VAL 43 2.249 -10.440 -3.522 135 HG21 VAL 43 3HG2 VAL 43 -1.419 -8.519 -4.664 136 HG22 VAL 43 1HG2 VAL 43 -0.448 -7.911 -3.317 137 HG23 VAL 43 2HG2 VAL 43 0.124 -7.699 -4.983 138 H GLN 44 H GLN 44 -0.719 -8.832 -7.210 139 HA GLN 44 HA GLN 44 1.834 -7.938 -8.377 140 HB2 GLN 44 2HB GLN 44 -0.340 -8.691 -10.315 141 HB3 GLN 44 3HB GLN 44 1.350 -8.379 -10.621 142 HG2 GLN 44 2HG GLN 44 0.149 -10.886 -9.411 143 HG3 GLN 44 3HG GLN 44 0.733 -10.700 -11.045 144 HE21 GLN 44 1HE2 GLN 44 1.510 -12.380 -8.600 145 HE22 GLN 44 2HE2 GLN 44 3.247 -12.193 -8.468 146 H GLU 45 H GLU 45 1.240 -6.125 -10.111 147 HA GLU 45 HA GLU 45 -0.212 -4.118 -8.694 148 HB2 GLU 45 2HB GLU 45 0.267 -2.659 -10.395 149 HB3 GLU 45 3HB GLU 45 1.665 -3.709 -10.281 150 HG2 GLU 45 2HG GLU 45 -0.584 -3.885 -12.321 151 HG3 GLU 45 3HG GLU 45 0.986 -3.127 -12.591 152 H SER 46 H SER 46 -1.486 -6.565 -10.864 153 HA SER 46 HA SER 46 -4.004 -5.282 -11.431 154 HG SER 46 HG SER 46 -2.758 -8.766 -10.781 155 HB2 SER 46 2HB SER 46 -4.661 -7.838 -11.647 156 HB3 SER 46 3HB SER 46 -3.671 -7.006 -12.848 157 H GLU 47 H GLU 47 -2.790 -7.080 -8.576 158 HA GLU 47 HA GLU 47 -5.463 -7.636 -7.465 159 HB2 GLU 47 2HB GLU 47 -2.528 -8.227 -6.856 160 HB3 GLU 47 3HB GLU 47 -3.725 -8.392 -5.617 161 HG2 GLU 47 2HG GLU 47 -3.270 -10.525 -6.695 162 HG3 GLU 47 3HG GLU 47 -4.953 -10.037 -6.935 163 H LEU 48 H LEU 48 -2.543 -5.636 -7.074 164 HA LEU 48 HA LEU 48 -3.560 -4.048 -4.888 165 HG LEU 48 HG LEU 48 -1.166 -5.631 -5.297 166 HB2 LEU 48 2HB LEU 48 -1.439 -3.428 -6.934 167 HB3 LEU 48 3HB LEU 48 -1.675 -2.649 -5.504 168 HD11 LEU 48 1HD1 LEU 48 0.499 -4.818 -6.873 169 HD12 LEU 48 2HD1 LEU 48 0.995 -3.548 -5.744 170 HD13 LEU 48 3HD1 LEU 48 1.223 -5.269 -5.339 171 HD21 LEU 48 3HD2 LEU 48 -0.166 -3.208 -3.803 172 HD22 LEU 48 1HD2 LEU 48 -1.502 -4.333 -3.265 173 HD23 LEU 48 2HD2 LEU 48 0.148 -4.948 -3.416 174 H ASN 49 H ASN 49 -3.822 -3.885 -8.447 175 HA ASN 49 HA ASN 49 -5.307 -1.399 -8.554 176 HB2 ASN 49 2HB ASN 49 -4.897 -3.644 -10.433 177 HB3 ASN 49 3HB ASN 49 -6.449 -2.857 -10.586 178 HD21 ASN 49 2HD2 ASN 49 -2.958 -2.260 -10.604 179 HD22 ASN 49 1HD2 ASN 49 -3.064 -0.801 -11.594 180 H GLU 50 H GLU 50 -6.538 -4.747 -8.065 181 HA GLU 50 HA GLU 50 -9.260 -3.917 -7.633 182 HB2 GLU 50 2HB GLU 50 -7.608 -6.313 -6.991 183 HB3 GLU 50 3HB GLU 50 -9.036 -6.055 -5.980 184 HG2 GLU 50 2HG GLU 50 -10.365 -5.768 -8.153 185 HG3 GLU 50 3HG GLU 50 -8.935 -6.353 -9.011 186 H ILE 51 H ILE 51 -6.483 -3.889 -5.412 187 HA ILE 51 HA ILE 51 -8.171 -3.338 -3.080 188 HB ILE 51 HB ILE 51 -5.220 -3.470 -3.599 189 HG12 ILE 51 2HG1 ILE 51 -6.958 -5.324 -1.893 190 HG13 ILE 51 3HG1 ILE 51 -6.687 -5.604 -3.602 191 HG21 ILE 51 1HG2 ILE 51 -4.871 -3.450 -1.110 192 HG22 ILE 51 2HG2 ILE 51 -5.513 -1.928 -1.696 193 HG23 ILE 51 3HG2 ILE 51 -6.601 -3.093 -0.903 194 HD11 ILE 51 3HD1 ILE 51 -4.201 -5.692 -3.168 195 HD12 ILE 51 1HD1 ILE 51 -4.567 -5.645 -1.422 196 HD13 ILE 51 2HD1 ILE 51 -5.147 -6.987 -2.413 197 H PHE 52 H PHE 52 -5.963 -1.377 -5.088 198 HA PHE 52 HA PHE 52 -6.456 0.999 -3.431 199 HD1 PHE 52 HD1 PHE 52 -4.653 1.570 -1.800 200 HD2 PHE 52 HD2 PHE 52 -2.968 -1.174 -4.642 201 HE1 PHE 52 HE1 PHE 52 -3.528 0.350 0.029 202 HE2 PHE 52 HE2 PHE 52 -1.787 -2.317 -2.800 203 HZ PHE 52 HZ PHE 52 -2.037 -1.633 -0.555 204 HB2 PHE 52 2HB PHE 52 -4.334 0.415 -5.381 205 HB3 PHE 52 3HB PHE 52 -4.468 1.933 -4.478 206 H GLY 53 H GLY 53 -7.103 -0.162 -6.661 207 HA2 GLY 53 2HA GLY 53 -7.574 2.196 -8.144 208 HA3 GLY 53 3HA GLY 53 -8.414 0.656 -8.330 209 HA PRO 54 HA PRO 54 -12.046 2.293 -6.169 210 HB2 PRO 54 2HB PRO 54 -11.310 1.637 -3.330 211 HB3 PRO 54 3HB PRO 54 -12.830 1.298 -4.210 212 HG2 PRO 54 2HG PRO 54 -11.049 -0.689 -3.772 213 HG3 PRO 54 3HG PRO 54 -11.811 -0.534 -5.389 214 HD2 PRO 54 2HD PRO 54 -9.147 0.553 -4.464 215 HD3 PRO 54 3HD PRO 54 -9.439 -0.489 -5.874 216 H PHE 55 H PHE 55 -9.009 3.255 -4.632 217 HA PHE 55 HA PHE 55 -10.133 5.709 -3.405 218 HD1 PHE 55 HD2 PHE 55 -10.383 4.236 -1.717 219 HD2 PHE 55 HD1 PHE 55 -6.328 3.050 -2.579 220 HE1 PHE 55 HE2 PHE 55 -10.799 2.044 -0.645 221 HE2 PHE 55 HE1 PHE 55 -6.682 0.983 -1.162 222 HZ PHE 55 HZ PHE 55 -8.936 0.451 -0.317 223 HB2 PHE 55 2HB PHE 55 -7.227 4.894 -3.564 224 HB3 PHE 55 3HB PHE 55 -8.001 5.943 -2.424 225 H GLY 56 H GLY 56 -7.790 4.762 -5.924 226 HA2 GLY 56 2HA GLY 56 -8.333 5.855 -8.030 227 HA3 GLY 56 3HA GLY 56 -8.259 7.405 -7.198 228 HA PRO 57 HA PRO 57 -4.328 8.006 -8.625 229 HB2 PRO 57 2HB PRO 57 -3.124 9.713 -6.928 230 HB3 PRO 57 3HB PRO 57 -4.745 10.041 -7.589 231 HG2 PRO 57 2HG PRO 57 -4.060 8.758 -4.938 232 HG3 PRO 57 3HG PRO 57 -5.128 10.180 -5.235 233 HD2 PRO 57 2HD PRO 57 -6.071 7.598 -4.990 234 HD3 PRO 57 3HD PRO 57 -6.867 8.823 -6.014 235 H MET 58 H MET 58 -4.147 5.362 -7.552 236 HA MET 58 HA MET 58 -1.600 4.664 -6.312 237 HB2 MET 58 2HB MET 58 -1.807 2.639 -7.692 238 HB3 MET 58 3HB MET 58 -3.024 2.930 -6.453 239 HG2 MET 58 2HG MET 58 -4.736 3.145 -7.913 240 HG3 MET 58 3HG MET 58 -3.741 3.871 -9.195 241 HE1 MET 58 3HE MET 58 -4.646 0.432 -7.403 242 HE2 MET 58 1HE MET 58 -3.393 -0.603 -8.157 243 HE3 MET 58 2HE MET 58 -2.923 0.738 -7.119 244 H LYS 59 H LYS 59 -0.041 5.968 -6.873 245 HA LYS 59 HA LYS 59 0.685 6.434 -9.706 246 HB2 LYS 59 2HB LYS 59 0.015 8.285 -8.476 247 HB3 LYS 59 3HB LYS 59 0.891 7.817 -7.037 248 HG2 LYS 59 2HG LYS 59 2.284 8.793 -9.532 249 HG3 LYS 59 3HG LYS 59 1.591 9.800 -8.265 250 HD2 LYS 59 2HD LYS 59 3.906 7.881 -7.833 251 HD3 LYS 59 3HD LYS 59 3.859 9.650 -7.901 252 HE2 LYS 59 2HE LYS 59 2.185 9.575 -6.031 253 HE3 LYS 59 3HE LYS 59 2.771 7.927 -5.721 254 HZ1 LYS 59 3HZ LYS 59 4.972 8.830 -5.348 255 HZ2 LYS 59 1HZ LYS 59 4.517 10.345 -5.802 256 HZ3 LYS 59 2HZ LYS 59 3.914 9.694 -4.430 257 H GLU 60 H GLU 60 1.956 4.905 -6.822 258 HA GLU 60 HA GLU 60 3.919 3.598 -8.521 259 HB2 GLU 60 2HB GLU 60 4.849 5.626 -6.649 260 HB3 GLU 60 3HB GLU 60 5.463 4.033 -6.203 261 HG2 GLU 60 2HG GLU 60 5.721 5.412 -8.909 262 HG3 GLU 60 3HG GLU 60 6.959 5.289 -7.674 263 H VAL 61 H VAL 61 4.890 1.799 -7.611 264 HA VAL 61 HA VAL 61 3.222 0.231 -5.775 265 HB VAL 61 HB VAL 61 3.265 -0.609 -8.722 266 HG11 VAL 61 1HG1 VAL 61 1.170 -1.213 -6.609 267 HG12 VAL 61 2HG1 VAL 61 1.483 -2.053 -8.147 268 HG13 VAL 61 3HG1 VAL 61 2.645 -2.169 -6.804 269 HG21 VAL 61 3HG2 VAL 61 1.001 1.052 -7.607 270 HG22 VAL 61 1HG2 VAL 61 2.087 1.473 -8.946 271 HG23 VAL 61 2HG2 VAL 61 0.977 0.116 -9.112 272 H LYS 62 H LYS 62 5.468 0.305 -4.910 273 HA LYS 62 HA LYS 62 7.491 -1.291 -6.345 274 HB2 LYS 62 2HB LYS 62 7.465 -0.799 -3.359 275 HB3 LYS 62 3HB LYS 62 8.795 -1.222 -4.401 276 HG2 LYS 62 2HG LYS 62 8.369 1.070 -5.585 277 HG3 LYS 62 3HG LYS 62 7.400 1.461 -4.159 278 HD2 LYS 62 2HD LYS 62 10.363 0.775 -4.289 279 HD3 LYS 62 3HD LYS 62 9.637 2.325 -3.845 280 HE2 LYS 62 2HE LYS 62 8.659 1.290 -1.813 281 HE3 LYS 62 3HE LYS 62 9.371 -0.280 -2.257 282 HZ1 LYS 62 3HZ LYS 62 10.941 2.205 -1.746 283 HZ2 LYS 62 1HZ LYS 62 10.730 1.034 -0.649 284 HZ3 LYS 62 2HZ LYS 62 11.566 0.712 -2.027 285 H ILE 63 H ILE 63 7.463 -3.436 -6.439 286 HA ILE 63 HA ILE 63 5.893 -4.994 -4.427 287 HB ILE 63 HB ILE 63 5.927 -5.577 -7.397 288 HG12 ILE 63 2HG1 ILE 63 3.765 -4.474 -5.537 289 HG13 ILE 63 3HG1 ILE 63 4.557 -3.624 -6.863 290 HG21 ILE 63 1HG2 ILE 63 4.294 -7.359 -6.801 291 HG22 ILE 63 2HG2 ILE 63 5.826 -7.643 -6.001 292 HG23 ILE 63 3HG2 ILE 63 4.473 -6.954 -5.082 293 HD11 ILE 63 3HD1 ILE 63 2.421 -4.192 -7.642 294 HD12 ILE 63 1HD1 ILE 63 3.539 -5.289 -8.475 295 HD13 ILE 63 2HD1 ILE 63 2.552 -5.858 -7.091 296 H LEU 64 H LEU 64 6.888 -6.432 -3.432 297 HA LEU 64 HA LEU 64 9.575 -7.522 -4.186 298 HG LEU 64 HG LEU 64 8.418 -5.125 -1.872 299 HB2 LEU 64 2HB LEU 64 8.729 -7.466 -1.402 300 HB3 LEU 64 3HB LEU 64 10.308 -7.483 -2.145 301 HD11 LEU 64 1HD1 LEU 64 10.336 -4.308 -0.489 302 HD12 LEU 64 2HD1 LEU 64 9.775 -5.907 0.075 303 HD13 LEU 64 3HD1 LEU 64 11.218 -5.805 -0.954 304 HD21 LEU 64 3HD2 LEU 64 10.201 -3.674 -2.650 305 HD22 LEU 64 1HD2 LEU 64 11.129 -5.099 -3.214 306 HD23 LEU 64 2HD2 LEU 64 9.568 -4.681 -3.954 307 H ASN 65 H ASN 65 9.812 -9.626 -2.786 308 HA ASN 65 HA ASN 65 8.283 -11.760 -3.653 309 HB2 ASN 65 2HB ASN 65 9.951 -11.546 -1.172 310 HB3 ASN 65 3HB ASN 65 9.684 -13.043 -2.069 311 HD21 ASN 65 1HD2 ASN 65 12.080 -10.882 -1.522 312 HD22 ASN 65 2HD2 ASN 65 12.905 -10.998 -3.071 313 H GLY 66 H GLY 66 6.156 -10.393 -2.659 314 HA2 GLY 66 2HA GLY 66 4.261 -11.332 -1.466 315 HA3 GLY 66 3HA GLY 66 5.290 -11.697 -0.095 316 H PHE 67 H PHE 67 6.169 -8.650 -1.535 317 HA PHE 67 HA PHE 67 4.523 -7.210 0.550 318 HD1 PHE 67 HD2 PHE 67 7.915 -9.198 0.160 319 HD2 PHE 67 HD1 PHE 67 6.619 -6.642 3.384 320 HE1 PHE 67 HE2 PHE 67 8.729 -10.857 1.797 321 HE2 PHE 67 HE1 PHE 67 7.443 -8.302 5.021 322 HZ PHE 67 HZ PHE 67 8.487 -10.422 4.238 323 HB2 PHE 67 2HB PHE 67 7.383 -6.553 -0.045 324 HB3 PHE 67 3HB PHE 67 6.360 -5.893 1.183 325 H ALA 68 H ALA 68 3.866 -5.147 0.072 326 HA ALA 68 HA ALA 68 4.528 -3.958 -2.575 327 HB1 ALA 68 1HB ALA 68 2.644 -5.245 -3.073 328 HB2 ALA 68 2HB ALA 68 1.800 -4.738 -1.610 329 HB3 ALA 68 3HB ALA 68 2.119 -3.557 -2.905 330 H PHE 69 H PHE 69 4.827 -1.937 -2.536 331 HA PHE 69 HA PHE 69 3.934 -0.252 -0.246 332 HD1 PHE 69 HD1 PHE 69 6.791 -2.565 -1.505 333 HD2 PHE 69 HD2 PHE 69 7.029 0.167 1.812 334 HE1 PHE 69 HE1 PHE 69 7.823 -4.310 -0.114 335 HE2 PHE 69 HE2 PHE 69 8.265 -1.552 3.117 336 HZ PHE 69 HZ PHE 69 8.690 -3.824 2.074 337 HB2 PHE 69 2HB PHE 69 6.611 0.149 -1.631 338 HB3 PHE 69 3HB PHE 69 6.017 0.900 -0.174 339 H VAL 70 H VAL 70 2.202 0.248 -1.385 340 HA VAL 70 HA VAL 70 2.450 1.386 -4.090 341 HB VAL 70 HB VAL 70 -0.132 1.157 -2.550 342 HG11 VAL 70 1HG1 VAL 70 -0.119 2.243 -4.924 343 HG12 VAL 70 2HG1 VAL 70 0.565 0.667 -5.479 344 HG13 VAL 70 3HG1 VAL 70 -1.039 0.704 -4.790 345 HG21 VAL 70 3HG2 VAL 70 -0.310 -0.989 -3.878 346 HG22 VAL 70 1HG2 VAL 70 1.437 -0.825 -4.187 347 HG23 VAL 70 2HG2 VAL 70 0.790 -1.044 -2.491 348 H GLU 71 H GLU 71 1.796 3.602 -4.523 349 HA GLU 71 HA GLU 71 2.293 5.447 -2.204 350 HB2 GLU 71 2HB GLU 71 4.422 4.517 -3.283 351 HB3 GLU 71 3HB GLU 71 3.890 5.293 -4.768 352 HG2 GLU 71 2HG GLU 71 3.872 7.504 -3.589 353 HG3 GLU 71 3HG GLU 71 4.500 6.721 -2.164 354 H PHE 72 H PHE 72 1.551 7.512 -2.538 355 HA PHE 72 HA PHE 72 0.145 8.128 -5.106 356 HD1 PHE 72 HD1 PHE 72 -1.418 6.283 -4.979 357 HD2 PHE 72 HD2 PHE 72 -2.220 7.527 -0.965 358 HE1 PHE 72 HE1 PHE 72 -3.060 4.386 -4.698 359 HE2 PHE 72 HE2 PHE 72 -3.874 5.704 -0.705 360 HZ PHE 72 HZ PHE 72 -4.305 4.137 -2.587 361 HB2 PHE 72 2HB PHE 72 -0.766 8.793 -2.279 362 HB3 PHE 72 3HB PHE 72 -1.665 8.986 -3.774 363 H GLU 73 H GLU 73 -0.652 10.296 -5.254 364 HA GLU 73 HA GLU 73 1.674 12.074 -5.037 365 HB2 GLU 73 2HB GLU 73 0.668 13.296 -6.834 366 HB3 GLU 73 3HB GLU 73 0.674 11.568 -7.168 367 HG2 GLU 73 2HG GLU 73 -1.766 11.515 -6.384 368 HG3 GLU 73 3HG GLU 73 -1.707 13.276 -6.343 369 H GLU 74 H GLU 74 -1.234 11.897 -3.208 370 HA GLU 74 HA GLU 74 -0.786 14.551 -1.998 371 HB2 GLU 74 2HB GLU 74 -2.482 14.543 -4.128 372 HB3 GLU 74 3HB GLU 74 -3.612 13.984 -2.908 373 HG2 GLU 74 2HG GLU 74 -2.036 16.589 -2.970 374 HG3 GLU 74 3HG GLU 74 -3.778 16.371 -3.170 375 H ALA 75 H ALA 75 -1.804 14.659 0.190 376 HA ALA 75 HA ALA 75 -1.799 12.025 1.360 377 HB1 ALA 75 1HB ALA 75 -1.958 13.218 3.486 378 HB2 ALA 75 2HB ALA 75 -0.724 13.925 2.429 379 HB3 ALA 75 3HB ALA 75 -2.303 14.737 2.624 380 H GLU 76 H GLU 76 -4.433 13.897 0.197 381 HA GLU 76 HA GLU 76 -6.680 12.879 1.567 382 HB2 GLU 76 2HB GLU 76 -5.980 13.566 -1.311 383 HB3 GLU 76 3HB GLU 76 -7.541 12.851 -0.995 384 HG2 GLU 76 2HG GLU 76 -6.479 15.200 0.581 385 HG3 GLU 76 3HG GLU 76 -7.436 15.425 -0.907 386 H SER 77 H SER 77 -4.797 11.377 -0.977 387 HA SER 77 HA SER 77 -6.499 9.116 -1.460 388 HG SER 77 HG SER 77 -3.127 10.575 -1.759 389 HB2 SER 77 2HB SER 77 -4.625 8.347 -2.780 390 HB3 SER 77 3HB SER 77 -4.892 10.085 -3.017 391 H ALA 78 H ALA 78 -3.477 9.466 0.369 392 HA ALA 78 HA ALA 78 -3.496 6.830 1.513 393 HB1 ALA 78 1HB ALA 78 -1.496 8.098 1.542 394 HB2 ALA 78 2HB ALA 78 -2.235 9.417 2.493 395 HB3 ALA 78 3HB ALA 78 -1.964 7.812 3.223 396 H ALA 79 H ALA 79 -4.804 9.951 2.857 397 HA ALA 79 HA ALA 79 -5.804 8.968 5.287 398 HB1 ALA 79 1HB ALA 79 -5.721 11.338 4.673 399 HB2 ALA 79 2HB ALA 79 -7.010 11.095 3.480 400 HB3 ALA 79 3HB ALA 79 -7.347 10.866 5.201 401 H LYS 80 H LYS 80 -7.568 9.040 2.135 402 HA LYS 80 HA LYS 80 -9.739 7.518 3.276 403 HB2 LYS 80 2HB LYS 80 -10.655 7.308 1.059 404 HB3 LYS 80 3HB LYS 80 -10.074 8.955 1.319 405 HG2 LYS 80 2HG LYS 80 -7.999 8.263 -0.001 406 HG3 LYS 80 3HG LYS 80 -8.807 6.722 -0.309 407 HD2 LYS 80 2HD LYS 80 -9.381 7.888 -2.227 408 HD3 LYS 80 3HD LYS 80 -10.762 8.301 -1.231 409 HE2 LYS 80 2HE LYS 80 -8.322 10.018 -1.904 410 HE3 LYS 80 3HE LYS 80 -9.966 10.233 -2.475 411 HZ1 LYS 80 3HZ LYS 80 -9.573 11.802 -0.697 412 HZ2 LYS 80 1HZ LYS 80 -10.613 10.696 -0.117 413 HZ3 LYS 80 2HZ LYS 80 -9.019 10.651 0.297 414 H ALA 81 H ALA 81 -6.891 6.444 1.365 415 HA ALA 81 HA ALA 81 -7.782 3.800 1.128 416 HB1 ALA 81 1HB ALA 81 -5.400 3.169 0.760 417 HB2 ALA 81 2HB ALA 81 -5.842 4.642 -0.102 418 HB3 ALA 81 3HB ALA 81 -4.893 4.744 1.394 419 H ILE 82 H ILE 82 -5.930 5.341 3.778 420 HA ILE 82 HA ILE 82 -5.659 3.216 5.559 421 HB ILE 82 HB ILE 82 -6.205 6.124 6.182 422 HG12 ILE 82 2HG1 ILE 82 -3.519 4.849 6.570 423 HG13 ILE 82 3HG1 ILE 82 -3.965 5.253 4.930 424 HG21 ILE 82 1HG2 ILE 82 -5.204 5.658 8.425 425 HG22 ILE 82 2HG2 ILE 82 -6.730 4.820 8.189 426 HG23 ILE 82 3HG2 ILE 82 -5.199 3.928 8.042 427 HD11 ILE 82 3HD1 ILE 82 -4.471 7.564 5.692 428 HD12 ILE 82 1HD1 ILE 82 -3.879 7.168 7.302 429 HD13 ILE 82 2HD1 ILE 82 -2.767 7.121 5.907 430 H GLU 83 H GLU 83 -8.332 5.651 5.544 431 HA GLU 83 HA GLU 83 -9.928 4.342 7.477 432 HB2 GLU 83 2HB GLU 83 -10.682 6.177 5.194 433 HB3 GLU 83 3HB GLU 83 -11.805 5.687 6.461 434 HG2 GLU 83 2HG GLU 83 -9.135 7.011 7.148 435 HG3 GLU 83 3HG GLU 83 -10.561 7.933 6.701 436 H GLU 84 H GLU 84 -9.692 3.709 4.030 437 HA GLU 84 HA GLU 84 -12.131 2.126 3.791 438 HB2 GLU 84 2HB GLU 84 -9.716 2.576 2.004 439 HB3 GLU 84 3HB GLU 84 -11.077 1.573 1.535 440 HG2 GLU 84 2HG GLU 84 -11.599 4.431 2.345 441 HG3 GLU 84 3HG GLU 84 -10.890 4.096 0.761 442 H VAL 85 H VAL 85 -8.630 1.316 4.035 443 HA VAL 85 HA VAL 85 -9.349 -1.560 4.369 444 HB VAL 85 HB VAL 85 -9.347 -1.020 2.035 445 HG11 VAL 85 1HG1 VAL 85 -7.174 -0.665 0.822 446 HG12 VAL 85 2HG1 VAL 85 -7.818 0.715 1.726 447 HG13 VAL 85 3HG1 VAL 85 -6.476 -0.215 2.385 448 HG21 VAL 85 3HG2 VAL 85 -8.811 -3.296 2.765 449 HG22 VAL 85 1HG2 VAL 85 -8.096 -2.865 1.201 450 HG23 VAL 85 2HG2 VAL 85 -7.087 -2.891 2.660 451 H HIS 86 H HIS 86 -7.446 0.833 5.704 452 HA HIS 86 HA HIS 86 -5.164 -0.883 6.425 453 HD1 HIS 86 HD1 HIS 86 -2.726 1.887 7.269 454 HD2 HIS 86 HD2 HIS 86 -5.132 -0.020 10.130 455 HE1 HIS 86 HE1 HIS 86 -1.217 1.435 9.294 456 HB2 HIS 86 2HB HIS 86 -5.142 1.615 6.539 457 HB3 HIS 86 3HB HIS 86 -6.246 1.553 7.902 458 H GLY 87 H GLY 87 -5.246 -2.531 7.823 459 HA2 GLY 87 2HA GLY 87 -5.377 -3.395 10.028 460 HA3 GLY 87 3HA GLY 87 -6.686 -2.277 10.413 461 H LYS 88 H LYS 88 -7.578 -3.189 7.545 462 HA LYS 88 HA LYS 88 -9.419 -5.356 8.190 463 HB2 LYS 88 2HB LYS 88 -8.770 -3.499 5.907 464 HB3 LYS 88 3HB LYS 88 -9.581 -4.963 5.554 465 HG2 LYS 88 2HG LYS 88 -11.287 -3.305 5.854 466 HG3 LYS 88 3HG LYS 88 -11.358 -4.362 7.254 467 HD2 LYS 88 2HD LYS 88 -11.613 -2.312 8.262 468 HD3 LYS 88 3HD LYS 88 -9.865 -2.468 8.406 469 HE2 LYS 88 2HE LYS 88 -9.659 -1.142 6.261 470 HE3 LYS 88 3HE LYS 88 -11.413 -0.917 6.288 471 HZ1 LYS 88 3HZ LYS 88 -11.077 0.160 8.512 472 HZ2 LYS 88 1HZ LYS 88 -9.451 0.073 8.278 473 HZ3 LYS 88 2HZ LYS 88 -10.395 0.987 7.283 474 H SER 89 H SER 89 -9.231 -7.340 7.570 475 HA SER 89 HA SER 89 -6.526 -8.420 7.235 476 HG SER 89 HG SER 89 -9.777 -10.038 7.043 477 HB2 SER 89 2HB SER 89 -7.660 -10.601 7.701 478 HB3 SER 89 3HB SER 89 -7.791 -9.371 8.970 479 H PHE 90 H PHE 90 -5.678 -8.571 5.184 480 HA PHE 90 HA PHE 90 -7.458 -9.748 3.040 481 HD1 PHE 90 HD2 PHE 90 -4.568 -10.139 0.821 482 HD2 PHE 90 HD1 PHE 90 -7.750 -7.236 1.030 483 HE1 PHE 90 HE2 PHE 90 -5.179 -10.640 -1.536 484 HE2 PHE 90 HE1 PHE 90 -8.319 -7.693 -1.343 485 HZ PHE 90 HZ PHE 90 -7.093 -9.457 -2.577 486 HB2 PHE 90 2HB PHE 90 -6.265 -7.495 2.821 487 HB3 PHE 90 3HB PHE 90 -4.796 -8.439 2.764 488 H ALA 91 H ALA 91 -6.824 -11.601 2.054 489 HA ALA 91 HA ALA 91 -6.102 -13.697 1.828 490 HB1 ALA 91 1HB ALA 91 -3.697 -14.010 1.544 491 HB2 ALA 91 2HB ALA 91 -4.231 -12.490 0.804 492 HB3 ALA 91 3HB ALA 91 -3.370 -12.470 2.358 493 H ASN 92 H ASN 92 -4.139 -12.597 4.628 494 HA ASN 92 HA ASN 92 -5.149 -14.697 6.379 495 HB2 ASN 92 2HB ASN 92 -2.751 -15.609 6.706 496 HB3 ASN 92 3HB ASN 92 -3.621 -16.093 5.262 497 HD21 ASN 92 2HD2 ASN 92 -1.007 -13.925 6.415 498 HD22 ASN 92 1HD2 ASN 92 -0.324 -13.725 4.791 499 H GLN 93 H GLN 93 -3.940 -11.522 6.005 500 HA GLN 93 HA GLN 93 -3.995 -11.105 8.860 501 HB2 GLN 93 2HB GLN 93 -1.735 -10.379 9.230 502 HB3 GLN 93 3HB GLN 93 -1.716 -12.047 8.725 503 HG2 GLN 93 2HG GLN 93 -0.987 -11.394 6.502 504 HG3 GLN 93 3HG GLN 93 -1.159 -9.668 6.935 505 HE21 GLN 93 1HE2 GLN 93 0.683 -12.566 8.203 506 HE22 GLN 93 2HE2 GLN 93 2.093 -11.576 8.538 507 HA PRO 94 HA PRO 94 -4.969 -7.144 7.394 508 HB2 PRO 94 2HB PRO 94 -4.285 -5.371 9.438 509 HB3 PRO 94 3HB PRO 94 -5.650 -6.524 9.532 510 HG2 PRO 94 2HG PRO 94 -2.813 -6.917 10.546 511 HG3 PRO 94 3HG PRO 94 -4.351 -7.165 11.442 512 HD2 PRO 94 2HD PRO 94 -3.049 -9.213 10.313 513 HD3 PRO 94 3HD PRO 94 -4.826 -9.123 10.172 514 H LEU 95 H LEU 95 -4.575 -5.344 6.549 515 HA LEU 95 HA LEU 95 -1.997 -4.774 5.316 516 HG LEU 95 HG LEU 95 -3.134 -4.566 2.817 517 HB2 LEU 95 2HB LEU 95 -4.932 -4.038 5.145 518 HB3 LEU 95 3HB LEU 95 -3.796 -2.994 4.369 519 HD11 LEU 95 1HD1 LEU 95 -2.522 -6.405 4.176 520 HD12 LEU 95 2HD1 LEU 95 -4.238 -6.868 4.299 521 HD13 LEU 95 3HD1 LEU 95 -3.375 -6.782 2.704 522 HD21 LEU 95 3HD2 LEU 95 -6.031 -5.162 3.313 523 HD22 LEU 95 1HD2 LEU 95 -5.305 -3.968 2.186 524 HD23 LEU 95 2HD2 LEU 95 -5.112 -5.697 1.884 525 H GLU 96 H GLU 96 -0.729 -3.042 5.494 526 HA GLU 96 HA GLU 96 -1.333 -1.087 7.679 527 HB2 GLU 96 2HB GLU 96 0.380 -2.839 8.070 528 HB3 GLU 96 3HB GLU 96 1.414 -2.088 6.861 529 HG2 GLU 96 2HG GLU 96 1.428 -0.001 8.122 530 HG3 GLU 96 3HG GLU 96 0.342 -0.698 9.344 531 H VAL 97 H VAL 97 -2.510 -0.546 5.624 532 HA VAL 97 HA VAL 97 -1.274 0.837 3.440 533 HB VAL 97 HB VAL 97 -4.038 0.844 4.740 534 HG11 VAL 97 1HG1 VAL 97 -5.030 1.677 2.639 535 HG12 VAL 97 2HG1 VAL 97 -4.002 2.888 3.423 536 HG13 VAL 97 3HG1 VAL 97 -3.426 1.992 1.993 537 HG21 VAL 97 3HG2 VAL 97 -4.685 -0.837 3.215 538 HG22 VAL 97 1HG2 VAL 97 -3.395 -0.429 2.052 539 HG23 VAL 97 2HG2 VAL 97 -3.023 -1.258 3.547 540 H VAL 98 H VAL 98 -0.019 2.689 3.989 541 HA VAL 98 HA VAL 98 -1.397 4.661 5.748 542 HB VAL 98 HB VAL 98 -0.403 2.514 6.920 543 HG11 VAL 98 1HG1 VAL 98 2.142 3.978 7.353 544 HG12 VAL 98 2HG1 VAL 98 1.602 2.396 7.858 545 HG13 VAL 98 3HG1 VAL 98 1.926 2.651 6.149 546 HG21 VAL 98 3HG2 VAL 98 -1.716 4.015 7.894 547 HG22 VAL 98 1HG2 VAL 98 -0.329 3.717 8.963 548 HG23 VAL 98 2HG2 VAL 98 -0.418 5.250 8.037 549 H TYR 99 H TYR 99 1.538 5.243 6.485 550 HA TYR 99 HA TYR 99 2.270 6.977 4.165 551 HD1 TYR 99 HD2 TYR 99 0.420 8.153 4.584 552 HD2 TYR 99 HD1 TYR 99 2.001 8.841 8.542 553 HE1 TYR 99 HE2 TYR 99 -1.504 9.575 5.081 554 HE2 TYR 99 HE1 TYR 99 -0.004 10.211 9.078 555 HH TYR 99 HH TYR 99 -2.602 10.824 6.691 556 HB2 TYR 99 2HB TYR 99 3.003 7.153 7.106 557 HB3 TYR 99 3HB TYR 99 3.379 8.339 5.861 558 H SER 100 H SER 100 2.709 4.063 4.671 559 HA SER 100 HA SER 100 4.102 2.480 5.246 560 HG SER 100 HG SER 100 6.517 1.931 3.931 561 HB2 SER 100 2HB SER 100 3.921 2.418 2.937 562 HB3 SER 100 3HB SER 100 5.162 3.636 2.836 563 H LYS 101 H LYS 101 5.265 4.955 6.695 564 HA LYS 101 HA LYS 101 6.914 5.301 8.249 565 HB2 LYS 101 2HB LYS 101 7.192 2.287 8.063 566 HB3 LYS 101 3HB LYS 101 7.924 3.291 9.311 567 HG2 LYS 101 2HG LYS 101 5.772 4.046 10.109 568 HG3 LYS 101 3HG LYS 101 4.920 3.203 8.801 569 HD2 LYS 101 2HD LYS 101 5.605 1.041 9.632 570 HD3 LYS 101 3HD LYS 101 6.661 1.774 10.860 571 HE2 LYS 101 2HE LYS 101 4.763 2.737 12.028 572 HE3 LYS 101 3HE LYS 101 3.656 2.255 10.732 573 HZ1 LYS 101 3HZ LYS 101 4.024 -0.022 11.235 574 HZ2 LYS 101 1HZ LYS 101 5.167 0.304 12.373 575 HZ3 LYS 101 2HZ LYS 101 3.599 0.712 12.632 576 H LEU 102 H LEU 102 7.854 4.847 5.196 577 HA LEU 102 HA LEU 102 10.480 5.919 5.768 578 HG LEU 102 HG LEU 102 9.523 2.328 5.430 579 HB2 LEU 102 2HB LEU 102 11.600 4.184 4.188 580 HB3 LEU 102 3HB LEU 102 11.369 3.841 5.881 581 HD11 LEU 102 1HD1 LEU 102 8.500 3.273 3.413 582 HD12 LEU 102 2HD1 LEU 102 9.991 2.963 2.490 583 HD13 LEU 102 3HD1 LEU 102 9.004 1.617 3.098 584 HD21 LEU 102 3HD2 LEU 102 11.842 1.495 5.386 585 HD22 LEU 102 1HD2 LEU 102 10.792 0.577 4.300 586 HD23 LEU 102 2HD2 LEU 102 11.915 1.785 3.635 587 HA PRO 103 HA PRO 103 9.554 7.908 1.904 588 HB2 PRO 103 2HB PRO 103 11.783 9.361 1.478 589 HB3 PRO 103 3HB PRO 103 10.791 9.592 2.949 590 HG2 PRO 103 2HG PRO 103 13.313 7.913 2.663 591 HG3 PRO 103 3HG PRO 103 12.954 9.160 3.900 592 HD2 PRO 103 2HD PRO 103 12.525 6.485 4.338 593 HD3 PRO 103 3HD PRO 103 11.478 7.756 5.038 594 H ALA 104 H ALA 104 12.329 5.739 1.947 595 HA ALA 104 HA ALA 104 12.885 5.818 -0.915 596 HB1 ALA 104 1HB ALA 104 14.641 5.358 0.763 597 HB2 ALA 104 2HB ALA 104 13.770 3.895 1.281 598 HB3 ALA 104 3HB ALA 104 14.449 3.991 -0.345 Start of MODEL 13 1 H GLU 28 H GLU 28 1.992 14.910 9.440 2 HA GLU 28 HA GLU 28 4.071 14.571 8.252 3 HB2 GLU 28 2HB GLU 28 5.540 14.193 10.294 4 HB3 GLU 28 3HB GLU 28 4.417 15.517 10.316 5 HG2 GLU 28 2HG GLU 28 4.624 14.304 12.478 6 HG3 GLU 28 3HG GLU 28 2.982 14.519 11.881 7 H LEU 29 H LEU 29 6.022 12.663 9.441 8 HA LEU 29 HA LEU 29 7.025 10.687 9.000 9 HG LEU 29 HG LEU 29 4.896 7.526 9.195 10 HB2 LEU 29 2HB LEU 29 4.841 9.848 10.036 11 HB3 LEU 29 3HB LEU 29 4.280 9.547 8.417 12 HD11 LEU 29 1HD1 LEU 29 6.625 6.608 7.880 13 HD12 LEU 29 2HD1 LEU 29 5.961 7.943 6.942 14 HD13 LEU 29 3HD1 LEU 29 7.505 8.152 7.791 15 HD21 LEU 29 3HD2 LEU 29 6.127 8.240 11.199 16 HD22 LEU 29 1HD2 LEU 29 6.987 6.947 10.347 17 HD23 LEU 29 2HD2 LEU 29 7.547 8.630 10.197 18 H SER 30 H SER 30 4.396 10.823 6.716 19 HA SER 30 HA SER 30 5.883 11.630 4.431 20 HG SER 30 HG SER 30 7.272 9.610 5.089 21 HB2 SER 30 2HB SER 30 5.064 8.663 4.409 22 HB3 SER 30 3HB SER 30 5.416 9.650 2.991 23 H ASN 31 H ASN 31 2.985 10.505 5.976 24 HA ASN 31 HA ASN 31 0.807 10.857 5.704 25 HB2 ASN 31 2HB ASN 31 1.125 12.813 3.475 26 HB3 ASN 31 3HB ASN 31 -0.087 12.733 4.723 27 HD21 ASN 31 2HD2 ASN 31 3.000 13.987 3.819 28 HD22 ASN 31 1HD2 ASN 31 3.184 15.010 5.240 29 H THR 32 H THR 32 2.541 9.869 2.818 30 HA THR 32 HA THR 32 0.008 8.931 1.615 31 HB THR 32 HB THR 32 0.791 9.725 -0.531 32 HG1 THR 32 1HG THR 32 2.737 10.417 -0.827 33 HG21 THR 32 1HG2 THR 32 1.209 12.018 1.368 34 HG22 THR 32 2HG2 THR 32 0.637 12.034 -0.308 35 HG23 THR 32 3HG2 THR 32 -0.389 11.335 0.960 36 H ARG 33 H ARG 33 1.600 6.837 2.877 37 HA ARG 33 HA ARG 33 2.403 5.369 0.391 38 HE ARG 33 HE ARG 33 6.293 7.733 -0.624 39 HB2 ARG 33 2HB ARG 33 4.220 5.605 2.795 40 HB3 ARG 33 3HB ARG 33 4.338 4.434 1.542 41 HG2 ARG 33 2HG ARG 33 5.960 5.649 0.940 42 HG3 ARG 33 3HG ARG 33 4.680 6.130 -0.150 43 HD2 ARG 33 2HD ARG 33 4.414 8.244 1.205 44 HD3 ARG 33 3HD ARG 33 5.735 7.665 2.251 45 HH11 ARG 33 2HH1 ARG 33 7.357 9.217 2.366 46 HH12 ARG 33 1HH1 ARG 33 8.364 10.335 1.482 47 HH21 ARG 33 2HH2 ARG 33 7.408 9.195 -1.613 48 HH22 ARG 33 1HH2 ARG 33 8.536 10.196 -0.713 49 H LEU 34 H LEU 34 1.838 3.320 0.330 50 HA LEU 34 HA LEU 34 0.430 2.269 2.725 51 HG LEU 34 HG LEU 34 -2.173 3.022 0.084 52 HB2 LEU 34 2HB LEU 34 -0.087 1.505 -0.056 53 HB3 LEU 34 3HB LEU 34 -1.159 1.335 1.281 54 HD11 LEU 34 1HD1 LEU 34 -2.208 5.050 1.201 55 HD12 LEU 34 2HD1 LEU 34 -1.719 3.901 2.438 56 HD13 LEU 34 3HD1 LEU 34 -0.533 4.976 1.702 57 HD21 LEU 34 3HD2 LEU 34 0.420 3.525 -1.006 58 HD22 LEU 34 1HD2 LEU 34 -1.157 3.810 -1.684 59 HD23 LEU 34 2HD2 LEU 34 -0.391 5.048 -0.660 60 H PHE 35 H PHE 35 0.885 0.306 3.689 61 HA PHE 35 HA PHE 35 3.129 -1.184 2.477 62 HD1 PHE 35 HD2 PHE 35 4.768 -2.592 3.027 63 HD2 PHE 35 HD1 PHE 35 4.007 -1.409 7.101 64 HE1 PHE 35 HE2 PHE 35 6.336 -4.324 3.818 65 HE2 PHE 35 HE1 PHE 35 5.606 -3.135 7.894 66 HZ PHE 35 HZ PHE 35 6.769 -4.607 6.256 67 HB2 PHE 35 2HB PHE 35 4.051 -0.015 4.227 68 HB3 PHE 35 3HB PHE 35 2.891 -0.200 5.363 69 H VAL 36 H VAL 36 2.517 -2.886 1.726 70 HA VAL 36 HA VAL 36 0.063 -4.314 2.694 71 HB VAL 36 HB VAL 36 0.931 -2.963 0.149 72 HG11 VAL 36 1HG1 VAL 36 -1.417 -4.727 0.102 73 HG12 VAL 36 2HG1 VAL 36 -0.859 -3.512 -1.081 74 HG13 VAL 36 3HG1 VAL 36 0.156 -4.896 -0.790 75 HG21 VAL 36 3HG2 VAL 36 -1.583 -2.107 0.442 76 HG22 VAL 36 1HG2 VAL 36 -1.520 -2.865 2.011 77 HG23 VAL 36 2HG2 VAL 36 -0.406 -1.522 1.602 78 H ARG 37 H ARG 37 0.909 -6.033 3.478 79 HA ARG 37 HA ARG 37 2.810 -7.735 1.952 80 HE ARG 37 HE ARG 37 1.682 -7.717 7.695 81 HB2 ARG 37 2HB ARG 37 4.287 -7.771 3.940 82 HB3 ARG 37 3HB ARG 37 4.082 -6.194 3.230 83 HG2 ARG 37 2HG ARG 37 3.868 -5.530 5.363 84 HG3 ARG 37 3HG ARG 37 2.181 -5.920 5.114 85 HD2 ARG 37 2HD ARG 37 2.996 -8.320 5.945 86 HD3 ARG 37 3HD ARG 37 4.289 -7.386 6.692 87 HH11 ARG 37 1HH1 ARG 37 3.868 -4.973 7.333 88 HH12 ARG 37 2HH1 ARG 37 3.045 -4.051 8.570 89 HH21 ARG 37 1HH2 ARG 37 0.651 -6.427 9.176 90 HH22 ARG 37 2HH2 ARG 37 1.290 -4.836 9.555 91 HA PRO 38 HA PRO 38 0.188 -10.615 4.927 92 HB2 PRO 38 2HB PRO 38 -1.927 -10.418 2.759 93 HB3 PRO 38 3HB PRO 38 -2.117 -10.875 4.464 94 HG2 PRO 38 2HG PRO 38 -2.779 -8.432 3.574 95 HG3 PRO 38 3HG PRO 38 -1.942 -8.573 5.133 96 HD2 PRO 38 2HD PRO 38 -0.802 -7.775 2.484 97 HD3 PRO 38 3HD PRO 38 -0.430 -7.168 4.127 98 H PHE 39 H PHE 39 0.144 -10.167 1.446 99 HA PHE 39 HA PHE 39 -0.143 -12.841 0.642 100 HD1 PHE 39 HD1 PHE 39 1.271 -8.787 -0.097 101 HD2 PHE 39 HD2 PHE 39 -2.443 -10.816 -1.083 102 HE1 PHE 39 HE1 PHE 39 0.040 -6.727 0.150 103 HE2 PHE 39 HE2 PHE 39 -3.616 -8.639 -1.015 104 HZ PHE 39 HZ PHE 39 -2.410 -6.595 -0.387 105 HB2 PHE 39 2HB PHE 39 1.224 -11.036 -1.255 106 HB3 PHE 39 3HB PHE 39 -0.259 -11.947 -1.441 107 HA PRO 40 HA PRO 40 4.243 -13.877 0.239 108 HB2 PRO 40 2HB PRO 40 3.769 -16.021 -1.685 109 HB3 PRO 40 3HB PRO 40 4.108 -16.179 0.047 110 HG2 PRO 40 2HG PRO 40 1.640 -16.780 -1.192 111 HG3 PRO 40 3HG PRO 40 1.903 -16.486 0.545 112 HD2 PRO 40 2HD PRO 40 0.901 -14.569 -1.544 113 HD3 PRO 40 3HD PRO 40 0.395 -14.784 0.159 114 H LEU 41 H LEU 41 5.534 -14.693 -2.067 115 HA LEU 41 HA LEU 41 6.004 -12.349 -3.519 116 HG LEU 41 HG LEU 41 8.394 -13.051 -3.292 117 HB2 LEU 41 2HB LEU 41 6.513 -15.280 -4.189 118 HB3 LEU 41 3HB LEU 41 7.074 -13.950 -5.191 119 HD11 LEU 41 1HD1 LEU 41 7.666 -15.689 -1.937 120 HD12 LEU 41 2HD1 LEU 41 9.011 -14.638 -1.452 121 HD13 LEU 41 3HD1 LEU 41 7.367 -14.044 -1.315 122 HD21 LEU 41 3HD2 LEU 41 10.186 -14.716 -3.500 123 HD22 LEU 41 1HD2 LEU 41 9.021 -15.913 -4.112 124 HD23 LEU 41 2HD2 LEU 41 9.390 -14.452 -5.056 125 H ASP 42 H ASP 42 3.315 -14.416 -3.962 126 HA ASP 42 HA ASP 42 2.685 -14.242 -6.677 127 HB2 ASP 42 2HB ASP 42 0.835 -14.283 -4.270 128 HB3 ASP 42 3HB ASP 42 0.375 -14.674 -5.932 129 H VAL 43 H VAL 43 2.149 -11.683 -4.196 130 HA VAL 43 HA VAL 43 0.239 -10.216 -5.811 131 HB VAL 43 HB VAL 43 0.363 -9.959 -3.378 132 HG11 VAL 43 1HG1 VAL 43 2.007 -8.499 -2.305 133 HG12 VAL 43 2HG1 VAL 43 2.818 -9.892 -3.030 134 HG13 VAL 43 3HG1 VAL 43 2.885 -8.301 -3.822 135 HG21 VAL 43 3HG2 VAL 43 -0.081 -7.577 -3.300 136 HG22 VAL 43 1HG2 VAL 43 0.760 -7.306 -4.830 137 HG23 VAL 43 2HG2 VAL 43 -0.746 -8.244 -4.792 138 H GLN 44 H GLN 44 0.469 -8.434 -7.131 139 HA GLN 44 HA GLN 44 3.155 -7.453 -7.854 140 HB2 GLN 44 2HB GLN 44 1.344 -8.284 -10.113 141 HB3 GLN 44 3HB GLN 44 3.046 -7.883 -10.162 142 HG2 GLN 44 2HG GLN 44 1.800 -10.466 -9.190 143 HG3 GLN 44 3HG GLN 44 2.652 -10.210 -10.699 144 HE21 GLN 44 2HE2 GLN 44 3.029 -11.907 -8.169 145 HE22 GLN 44 1HE2 GLN 44 4.700 -11.678 -7.728 146 H GLU 45 H GLU 45 2.854 -5.708 -9.642 147 HA GLU 45 HA GLU 45 1.205 -3.631 -8.714 148 HB2 GLU 45 2HB GLU 45 3.221 -3.650 -10.438 149 HB3 GLU 45 3HB GLU 45 1.942 -3.854 -11.638 150 HG2 GLU 45 2HG GLU 45 0.947 -1.756 -10.121 151 HG3 GLU 45 3HG GLU 45 2.672 -1.509 -9.939 152 H SER 46 H SER 46 0.282 -6.222 -11.049 153 HA SER 46 HA SER 46 -2.162 -4.979 -11.912 154 HG SER 46 HG SER 46 -1.507 -8.679 -11.297 155 HB2 SER 46 2HB SER 46 -2.789 -7.383 -12.495 156 HB3 SER 46 3HB SER 46 -1.372 -6.672 -13.269 157 H GLU 47 H GLU 47 -1.405 -6.803 -8.918 158 HA GLU 47 HA GLU 47 -4.223 -7.447 -8.330 159 HB2 GLU 47 2HB GLU 47 -1.448 -7.946 -7.163 160 HB3 GLU 47 3HB GLU 47 -2.852 -8.150 -6.182 161 HG2 GLU 47 2HG GLU 47 -2.301 -10.268 -7.069 162 HG3 GLU 47 3HG GLU 47 -3.789 -9.768 -7.892 163 H LEU 48 H LEU 48 -1.512 -5.378 -7.355 164 HA LEU 48 HA LEU 48 -2.899 -3.805 -5.397 165 HG LEU 48 HG LEU 48 -0.413 -5.229 -5.451 166 HB2 LEU 48 2HB LEU 48 -0.531 -3.186 -7.206 167 HB3 LEU 48 3HB LEU 48 -1.002 -2.273 -5.869 168 HD11 LEU 48 1HD1 LEU 48 1.700 -3.086 -5.322 169 HD12 LEU 48 2HD1 LEU 48 1.871 -4.841 -5.098 170 HD13 LEU 48 3HD1 LEU 48 1.490 -4.200 -6.695 171 HD21 LEU 48 3HD2 LEU 48 -1.293 -4.017 -3.599 172 HD22 LEU 48 1HD2 LEU 48 0.414 -4.366 -3.330 173 HD23 LEU 48 2HD2 LEU 48 -0.070 -2.697 -3.823 174 H ASN 49 H ASN 49 -2.531 -3.545 -8.969 175 HA ASN 49 HA ASN 49 -4.002 -1.082 -9.213 176 HB2 ASN 49 2HB ASN 49 -3.281 -3.256 -11.143 177 HB3 ASN 49 3HB ASN 49 -4.660 -2.267 -11.562 178 HD21 ASN 49 2HD2 ASN 49 -1.259 -1.984 -10.582 179 HD22 ASN 49 1HD2 ASN 49 -0.909 -0.609 -11.618 180 H GLU 50 H GLU 50 -5.237 -4.465 -9.158 181 HA GLU 50 HA GLU 50 -8.012 -3.741 -9.389 182 HB2 GLU 50 2HB GLU 50 -6.478 -6.088 -8.343 183 HB3 GLU 50 3HB GLU 50 -8.179 -5.936 -7.878 184 HG2 GLU 50 2HG GLU 50 -8.727 -5.660 -10.356 185 HG3 GLU 50 3HG GLU 50 -7.045 -6.055 -10.711 186 H ILE 51 H ILE 51 -5.957 -4.005 -6.476 187 HA ILE 51 HA ILE 51 -8.166 -3.482 -4.648 188 HB ILE 51 HB ILE 51 -5.182 -3.659 -4.407 189 HG12 ILE 51 2HG1 ILE 51 -7.275 -5.613 -3.357 190 HG13 ILE 51 3HG1 ILE 51 -6.539 -5.760 -4.946 191 HG21 ILE 51 1HG2 ILE 51 -5.926 -2.241 -2.517 192 HG22 ILE 51 2HG2 ILE 51 -7.188 -3.427 -2.119 193 HG23 ILE 51 3HG2 ILE 51 -5.467 -3.817 -1.911 194 HD11 ILE 51 3HD1 ILE 51 -5.102 -5.987 -2.273 195 HD12 ILE 51 1HD1 ILE 51 -4.262 -5.862 -3.839 196 HD13 ILE 51 2HD1 ILE 51 -5.338 -7.231 -3.512 197 H PHE 52 H PHE 52 -5.575 -1.463 -5.981 198 HA PHE 52 HA PHE 52 -6.196 0.831 -4.248 199 HD1 PHE 52 HD1 PHE 52 -3.914 -1.897 -4.366 200 HD2 PHE 52 HD2 PHE 52 -3.355 2.172 -3.061 201 HE1 PHE 52 HE1 PHE 52 -2.496 -2.693 -2.524 202 HE2 PHE 52 HE2 PHE 52 -1.809 1.369 -1.340 203 HZ PHE 52 HZ PHE 52 -1.176 -1.043 -1.256 204 HB2 PHE 52 2HB PHE 52 -3.902 0.193 -5.985 205 HB3 PHE 52 3HB PHE 52 -4.117 1.752 -5.234 206 H GLY 53 H GLY 53 -6.457 -0.134 -7.622 207 HA2 GLY 53 2HA GLY 53 -6.630 2.250 -9.036 208 HA3 GLY 53 3HA GLY 53 -7.602 0.810 -9.343 209 HA PRO 54 HA PRO 54 -11.224 2.849 -7.493 210 HB2 PRO 54 2HB PRO 54 -10.937 1.995 -4.634 211 HB3 PRO 54 3HB PRO 54 -12.345 1.836 -5.727 212 HG2 PRO 54 2HG PRO 54 -10.828 -0.327 -5.117 213 HG3 PRO 54 3HG PRO 54 -11.366 -0.067 -6.819 214 HD2 PRO 54 2HD PRO 54 -8.759 0.769 -5.536 215 HD3 PRO 54 3HD PRO 54 -8.940 -0.250 -6.978 216 H PHE 55 H PHE 55 -8.250 3.346 -5.633 217 HA PHE 55 HA PHE 55 -9.247 5.693 -4.193 218 HD1 PHE 55 HD2 PHE 55 -9.677 3.743 -3.073 219 HD2 PHE 55 HD1 PHE 55 -5.432 3.135 -2.954 220 HE1 PHE 55 HE2 PHE 55 -10.027 1.512 -2.041 221 HE2 PHE 55 HE1 PHE 55 -5.768 1.014 -1.662 222 HZ PHE 55 HZ PHE 55 -8.088 0.180 -1.283 223 HB2 PHE 55 2HB PHE 55 -6.390 4.734 -4.377 224 HB3 PHE 55 3HB PHE 55 -7.120 5.714 -3.140 225 H GLY 56 H GLY 56 -7.003 4.989 -6.855 226 HA2 GLY 56 2HA GLY 56 -7.527 6.517 -8.666 227 HA3 GLY 56 3HA GLY 56 -7.212 7.860 -7.598 228 HA PRO 57 HA PRO 57 -3.527 8.497 -9.471 229 HB2 PRO 57 2HB PRO 57 -1.958 8.955 -6.967 230 HB3 PRO 57 3HB PRO 57 -2.278 10.060 -8.323 231 HG2 PRO 57 2HG PRO 57 -3.607 10.332 -5.967 232 HG3 PRO 57 3HG PRO 57 -4.451 10.568 -7.526 233 HD2 PRO 57 2HD PRO 57 -4.419 8.088 -5.786 234 HD3 PRO 57 3HD PRO 57 -5.820 8.926 -6.492 235 H MET 58 H MET 58 -2.858 6.141 -6.996 236 HA MET 58 HA MET 58 -0.953 4.809 -6.519 237 HB2 MET 58 2HB MET 58 -1.324 3.875 -9.301 238 HB3 MET 58 3HB MET 58 -0.826 2.963 -7.893 239 HG2 MET 58 2HG MET 58 -3.156 3.292 -6.934 240 HG3 MET 58 3HG MET 58 -3.640 3.972 -8.496 241 HE1 MET 58 3HE MET 58 -1.083 0.815 -8.154 242 HE2 MET 58 1HE MET 58 -2.027 1.081 -6.668 243 HE3 MET 58 2HE MET 58 -2.318 -0.360 -7.671 244 H LYS 59 H LYS 59 0.121 7.005 -6.890 245 HA LYS 59 HA LYS 59 1.740 7.606 -9.033 246 HB2 LYS 59 2HB LYS 59 0.811 8.889 -7.024 247 HB3 LYS 59 3HB LYS 59 2.159 8.220 -6.091 248 HG2 LYS 59 2HG LYS 59 2.533 9.903 -8.565 249 HG3 LYS 59 3HG LYS 59 2.186 10.535 -6.971 250 HD2 LYS 59 2HD LYS 59 4.702 9.225 -7.881 251 HD3 LYS 59 3HD LYS 59 4.344 10.780 -7.146 252 HE2 LYS 59 2HE LYS 59 4.136 9.962 -5.006 253 HE3 LYS 59 3HE LYS 59 4.109 8.262 -5.544 254 HZ1 LYS 59 3HZ LYS 59 6.288 9.059 -4.640 255 HZ2 LYS 59 1HZ LYS 59 6.418 8.372 -6.108 256 HZ3 LYS 59 2HZ LYS 59 6.474 10.006 -5.956 257 H GLU 60 H GLU 60 2.253 5.371 -6.462 258 HA GLU 60 HA GLU 60 4.530 4.255 -7.851 259 HB2 GLU 60 2HB GLU 60 5.313 6.145 -5.942 260 HB3 GLU 60 3HB GLU 60 5.373 4.627 -5.033 261 HG2 GLU 60 2HG GLU 60 6.940 3.682 -6.648 262 HG3 GLU 60 3HG GLU 60 6.839 5.154 -7.640 263 H VAL 61 H VAL 61 5.270 2.312 -7.165 264 HA VAL 61 HA VAL 61 3.618 0.735 -5.363 265 HB VAL 61 HB VAL 61 3.665 -0.128 -8.296 266 HG11 VAL 61 1HG1 VAL 61 1.857 -1.537 -7.659 267 HG12 VAL 61 2HG1 VAL 61 3.010 -1.601 -6.312 268 HG13 VAL 61 3HG1 VAL 61 1.539 -0.619 -6.182 269 HG21 VAL 61 3HG2 VAL 61 1.423 0.650 -8.743 270 HG22 VAL 61 1HG2 VAL 61 1.408 1.579 -7.235 271 HG23 VAL 61 2HG2 VAL 61 2.539 1.999 -8.539 272 H LYS 62 H LYS 62 5.831 0.755 -4.464 273 HA LYS 62 HA LYS 62 7.962 -0.606 -5.939 274 HB2 LYS 62 2HB LYS 62 7.798 -0.314 -2.919 275 HB3 LYS 62 3HB LYS 62 9.200 -0.610 -3.925 276 HG2 LYS 62 2HG LYS 62 8.412 1.803 -4.956 277 HG3 LYS 62 3HG LYS 62 7.754 1.939 -3.321 278 HD2 LYS 62 2HD LYS 62 9.883 2.739 -2.859 279 HD3 LYS 62 3HD LYS 62 10.230 1.030 -2.666 280 HE2 LYS 62 2HE LYS 62 11.918 1.645 -4.142 281 HE3 LYS 62 3HE LYS 62 10.668 1.133 -5.288 282 HZ1 LYS 62 3HZ LYS 62 11.411 3.273 -6.002 283 HZ2 LYS 62 1HZ LYS 62 10.000 3.637 -5.219 284 HZ3 LYS 62 2HZ LYS 62 11.441 3.878 -4.483 285 H ILE 63 H ILE 63 8.047 -2.716 -6.275 286 HA ILE 63 HA ILE 63 6.406 -4.588 -4.611 287 HB ILE 63 HB ILE 63 7.422 -5.142 -7.399 288 HG12 ILE 63 2HG1 ILE 63 5.913 -3.283 -7.701 289 HG13 ILE 63 3HG1 ILE 63 5.310 -4.761 -8.407 290 HG21 ILE 63 1HG2 ILE 63 5.328 -6.521 -5.669 291 HG22 ILE 63 2HG2 ILE 63 5.655 -6.921 -7.376 292 HG23 ILE 63 3HG2 ILE 63 6.908 -7.158 -6.158 293 HD11 ILE 63 3HD1 ILE 63 3.502 -3.527 -7.376 294 HD12 ILE 63 1HD1 ILE 63 3.720 -5.061 -6.537 295 HD13 ILE 63 2HD1 ILE 63 4.301 -3.562 -5.781 296 H LEU 64 H LEU 64 7.468 -5.882 -3.353 297 HA LEU 64 HA LEU 64 10.172 -6.958 -3.992 298 HG LEU 64 HG LEU 64 11.273 -4.806 -3.012 299 HB2 LEU 64 2HB LEU 64 9.041 -5.983 -1.329 300 HB3 LEU 64 3HB LEU 64 10.602 -6.738 -1.570 301 HD11 LEU 64 1HD1 LEU 64 9.758 -3.320 -3.711 302 HD12 LEU 64 2HD1 LEU 64 8.571 -3.773 -2.465 303 HD13 LEU 64 3HD1 LEU 64 9.872 -2.623 -2.105 304 HD21 LEU 64 3HD2 LEU 64 11.689 -3.360 -1.064 305 HD22 LEU 64 1HD2 LEU 64 10.537 -4.371 -0.144 306 HD23 LEU 64 2HD2 LEU 64 12.028 -5.080 -0.777 307 H ASN 65 H ASN 65 10.535 -8.745 -2.265 308 HA ASN 65 HA ASN 65 9.287 -11.031 -3.125 309 HB2 ASN 65 2HB ASN 65 10.755 -10.631 -0.544 310 HB3 ASN 65 3HB ASN 65 10.708 -12.137 -1.458 311 HD21 ASN 65 1HD2 ASN 65 12.646 -9.433 -0.877 312 HD22 ASN 65 2HD2 ASN 65 13.647 -9.572 -2.320 313 H GLY 66 H GLY 66 6.959 -9.916 -2.342 314 HA2 GLY 66 2HA GLY 66 5.104 -11.070 -1.278 315 HA3 GLY 66 3HA GLY 66 6.041 -11.269 0.183 316 H PHE 67 H PHE 67 6.715 -8.234 -1.251 317 HA PHE 67 HA PHE 67 4.734 -6.879 0.550 318 HD1 PHE 67 HD1 PHE 67 8.736 -8.157 0.225 319 HD2 PHE 67 HD2 PHE 67 6.361 -6.886 3.588 320 HE1 PHE 67 HE1 PHE 67 9.759 -9.941 1.632 321 HE2 PHE 67 HE2 PHE 67 7.377 -8.668 4.981 322 HZ PHE 67 HZ PHE 67 9.069 -10.206 4.003 323 HB2 PHE 67 2HB PHE 67 7.572 -5.937 0.309 324 HB3 PHE 67 3HB PHE 67 6.398 -5.572 1.545 325 H ALA 68 H ALA 68 3.925 -5.060 -0.098 326 HA ALA 68 HA ALA 68 4.818 -3.682 -2.621 327 HB1 ALA 68 1HB ALA 68 2.512 -3.182 -2.993 328 HB2 ALA 68 2HB ALA 68 2.762 -4.947 -2.924 329 HB3 ALA 68 3HB ALA 68 2.047 -4.088 -1.541 330 H PHE 69 H PHE 69 5.252 -1.608 -2.346 331 HA PHE 69 HA PHE 69 4.227 -0.222 0.036 332 HD1 PHE 69 HD2 PHE 69 7.300 -2.110 -1.350 333 HD2 PHE 69 HD1 PHE 69 7.019 -0.098 2.448 334 HE1 PHE 69 HE2 PHE 69 8.434 -3.995 -0.273 335 HE2 PHE 69 HE1 PHE 69 8.336 -1.947 3.490 336 HZ PHE 69 HZ PHE 69 9.112 -3.892 2.055 337 HB2 PHE 69 2HB PHE 69 6.974 0.499 -1.014 338 HB3 PHE 69 3HB PHE 69 6.207 0.974 0.475 339 H VAL 70 H VAL 70 2.615 0.539 -1.072 340 HA VAL 70 HA VAL 70 2.918 1.846 -3.695 341 HB VAL 70 HB VAL 70 0.361 1.515 -2.105 342 HG11 VAL 70 1HG1 VAL 70 -0.683 1.172 -4.276 343 HG12 VAL 70 2HG1 VAL 70 0.133 2.769 -4.287 344 HG13 VAL 70 3HG1 VAL 70 0.869 1.324 -5.080 345 HG21 VAL 70 3HG2 VAL 70 1.299 -0.711 -2.249 346 HG22 VAL 70 1HG2 VAL 70 0.070 -0.566 -3.518 347 HG23 VAL 70 2HG2 VAL 70 1.796 -0.371 -3.966 348 H GLU 71 H GLU 71 1.905 3.994 -4.026 349 HA GLU 71 HA GLU 71 2.238 5.863 -1.715 350 HB2 GLU 71 2HB GLU 71 4.504 5.177 -2.790 351 HB3 GLU 71 3HB GLU 71 3.899 6.003 -4.232 352 HG2 GLU 71 2HG GLU 71 3.822 8.107 -3.308 353 HG3 GLU 71 3HG GLU 71 3.870 7.515 -1.650 354 H PHE 72 H PHE 72 1.570 7.875 -2.129 355 HA PHE 72 HA PHE 72 0.625 8.675 -4.836 356 HD1 PHE 72 HD1 PHE 72 -1.832 7.503 -5.368 357 HD2 PHE 72 HD2 PHE 72 -1.512 7.490 -1.081 358 HE1 PHE 72 HE1 PHE 72 -3.318 5.489 -5.253 359 HE2 PHE 72 HE2 PHE 72 -3.020 5.522 -0.977 360 HZ PHE 72 HZ PHE 72 -3.907 4.533 -3.063 361 HB2 PHE 72 2HB PHE 72 -0.850 9.409 -2.293 362 HB3 PHE 72 3HB PHE 72 -1.331 9.614 -3.961 363 H GLU 73 H GLU 73 0.365 11.023 -5.036 364 HA GLU 73 HA GLU 73 2.625 12.385 -3.664 365 HB2 GLU 73 2HB GLU 73 2.603 13.986 -5.469 366 HB3 GLU 73 3HB GLU 73 2.907 12.328 -5.963 367 HG2 GLU 73 2HG GLU 73 0.529 12.149 -6.757 368 HG3 GLU 73 3HG GLU 73 0.231 13.796 -6.210 369 H GLU 74 H GLU 74 -0.616 12.050 -3.103 370 HA GLU 74 HA GLU 74 -0.872 14.714 -1.835 371 HB2 GLU 74 2HB GLU 74 -2.081 14.183 -4.272 372 HB3 GLU 74 3HB GLU 74 -3.337 13.668 -3.156 373 HG2 GLU 74 2HG GLU 74 -1.983 16.400 -3.292 374 HG3 GLU 74 3HG GLU 74 -3.611 16.012 -3.837 375 H ALA 75 H ALA 75 -2.366 14.791 -0.065 376 HA ALA 75 HA ALA 75 -2.383 12.331 1.458 377 HB1 ALA 75 1HB ALA 75 -1.776 14.467 2.468 378 HB2 ALA 75 2HB ALA 75 -3.397 15.118 2.098 379 HB3 ALA 75 3HB ALA 75 -3.205 13.781 3.258 380 H GLU 76 H GLU 76 -4.855 13.945 -0.460 381 HA GLU 76 HA GLU 76 -7.186 12.755 0.638 382 HB2 GLU 76 2HB GLU 76 -6.264 13.578 -2.130 383 HB3 GLU 76 3HB GLU 76 -7.809 12.777 -1.953 384 HG2 GLU 76 2HG GLU 76 -7.026 15.150 -0.239 385 HG3 GLU 76 3HG GLU 76 -7.848 15.358 -1.810 386 H SER 77 H SER 77 -5.132 11.525 -1.961 387 HA SER 77 HA SER 77 -6.433 9.105 -2.566 388 HG SER 77 HG SER 77 -3.039 10.715 -2.334 389 HB2 SER 77 2HB SER 77 -3.820 8.617 -3.070 390 HB3 SER 77 3HB SER 77 -4.877 9.505 -4.107 391 H ALA 78 H ALA 78 -3.723 9.731 -0.427 392 HA ALA 78 HA ALA 78 -3.536 7.068 0.631 393 HB1 ALA 78 1HB ALA 78 -2.620 9.628 1.971 394 HB2 ALA 78 2HB ALA 78 -1.975 7.971 2.176 395 HB3 ALA 78 3HB ALA 78 -1.775 8.830 0.625 396 H ALA 79 H ALA 79 -5.146 9.990 2.075 397 HA ALA 79 HA ALA 79 -6.078 8.788 4.450 398 HB1 ALA 79 1HB ALA 79 -6.130 11.192 4.055 399 HB2 ALA 79 2HB ALA 79 -7.341 10.984 2.767 400 HB3 ALA 79 3HB ALA 79 -7.750 10.597 4.450 401 H LYS 80 H LYS 80 -7.737 8.960 1.239 402 HA LYS 80 HA LYS 80 -9.859 7.263 2.230 403 HB2 LYS 80 2HB LYS 80 -10.713 7.126 0.025 404 HB3 LYS 80 3HB LYS 80 -10.158 8.777 0.296 405 HG2 LYS 80 2HG LYS 80 -8.047 8.126 -1.000 406 HG3 LYS 80 3HG LYS 80 -8.803 6.566 -1.313 407 HD2 LYS 80 2HD LYS 80 -9.404 7.694 -3.232 408 HD3 LYS 80 3HD LYS 80 -10.792 8.114 -2.253 409 HE2 LYS 80 2HE LYS 80 -8.339 9.837 -2.890 410 HE3 LYS 80 3HE LYS 80 -9.957 10.029 -3.534 411 HZ1 LYS 80 3HZ LYS 80 -10.725 10.492 -1.210 412 HZ2 LYS 80 1HZ LYS 80 -9.156 10.486 -0.716 413 HZ3 LYS 80 2HZ LYS 80 -9.697 11.626 -1.743 414 H ALA 81 H ALA 81 -6.846 6.489 0.483 415 HA ALA 81 HA ALA 81 -7.375 3.776 0.097 416 HB1 ALA 81 1HB ALA 81 -4.954 3.392 0.111 417 HB2 ALA 81 2HB ALA 81 -5.394 4.835 -0.806 418 HB3 ALA 81 3HB ALA 81 -4.687 4.997 0.815 419 H ILE 82 H ILE 82 -5.972 5.385 3.025 420 HA ILE 82 HA ILE 82 -5.792 3.194 4.766 421 HB ILE 82 HB ILE 82 -6.490 6.079 5.327 422 HG12 ILE 82 2HG1 ILE 82 -3.958 4.914 6.384 423 HG13 ILE 82 3HG1 ILE 82 -4.006 5.079 4.639 424 HG21 ILE 82 1HG2 ILE 82 -5.954 5.677 7.722 425 HG22 ILE 82 2HG2 ILE 82 -7.419 4.854 7.218 426 HG23 ILE 82 3HG2 ILE 82 -5.906 3.937 7.401 427 HD11 ILE 82 3HD1 ILE 82 -3.092 7.096 5.726 428 HD12 ILE 82 1HD1 ILE 82 -4.609 7.442 4.861 429 HD13 ILE 82 2HD1 ILE 82 -4.627 7.308 6.623 430 H GLU 83 H GLU 83 -8.593 5.460 4.483 431 HA GLU 83 HA GLU 83 -10.246 3.909 6.202 432 HB2 GLU 83 2HB GLU 83 -10.928 5.955 4.091 433 HB3 GLU 83 3HB GLU 83 -12.106 5.298 5.230 434 HG2 GLU 83 2HG GLU 83 -9.526 6.675 6.147 435 HG3 GLU 83 3HG GLU 83 -11.025 7.533 5.820 436 H GLU 84 H GLU 84 -9.592 3.409 2.818 437 HA GLU 84 HA GLU 84 -11.935 1.738 2.237 438 HB2 GLU 84 2HB GLU 84 -9.353 2.370 0.767 439 HB3 GLU 84 3HB GLU 84 -10.535 1.235 0.148 440 HG2 GLU 84 2HG GLU 84 -11.412 4.039 0.820 441 HG3 GLU 84 3HG GLU 84 -10.511 3.730 -0.664 442 H VAL 85 H VAL 85 -8.501 1.136 3.062 443 HA VAL 85 HA VAL 85 -9.082 -1.785 3.257 444 HB VAL 85 HB VAL 85 -8.579 -1.396 0.984 445 HG11 VAL 85 1HG1 VAL 85 -6.044 -0.047 1.891 446 HG12 VAL 85 2HG1 VAL 85 -6.280 -0.662 0.244 447 HG13 VAL 85 3HG1 VAL 85 -7.344 0.593 0.881 448 HG21 VAL 85 3HG2 VAL 85 -6.858 -2.983 0.558 449 HG22 VAL 85 1HG2 VAL 85 -6.132 -2.718 2.149 450 HG23 VAL 85 2HG2 VAL 85 -7.730 -3.495 2.016 451 H HIS 86 H HIS 86 -7.303 0.823 4.696 452 HA HIS 86 HA HIS 86 -5.287 -0.845 5.969 453 HD1 HIS 86 HD1 HIS 86 -3.005 1.892 7.084 454 HD2 HIS 86 HD2 HIS 86 -5.870 0.062 9.542 455 HE1 HIS 86 HE1 HIS 86 -1.808 1.326 9.275 456 HB2 HIS 86 2HB HIS 86 -5.320 1.692 5.990 457 HB3 HIS 86 3HB HIS 86 -6.615 1.618 7.170 458 H GLY 87 H GLY 87 -5.798 -2.603 7.177 459 HA2 GLY 87 2HA GLY 87 -6.329 -3.308 9.440 460 HA3 GLY 87 3HA GLY 87 -7.700 -2.200 9.467 461 H LYS 88 H LYS 88 -7.576 -3.631 6.450 462 HA LYS 88 HA LYS 88 -9.850 -5.464 6.992 463 HB2 LYS 88 2HB LYS 88 -8.599 -4.083 4.596 464 HB3 LYS 88 3HB LYS 88 -9.687 -5.358 4.394 465 HG2 LYS 88 2HG LYS 88 -10.857 -3.260 4.146 466 HG3 LYS 88 3HG LYS 88 -11.500 -4.087 5.563 467 HD2 LYS 88 2HD LYS 88 -10.495 -2.577 7.080 468 HD3 LYS 88 3HD LYS 88 -9.279 -2.073 5.894 469 HE2 LYS 88 2HE LYS 88 -10.976 -0.941 4.563 470 HE3 LYS 88 3HE LYS 88 -12.218 -1.350 5.750 471 HZ1 LYS 88 3HZ LYS 88 -11.103 0.011 7.368 472 HZ2 LYS 88 1HZ LYS 88 -9.777 0.214 6.445 473 HZ3 LYS 88 2HZ LYS 88 -11.198 0.922 6.002 474 H SER 89 H SER 89 -9.634 -7.563 6.678 475 HA SER 89 HA SER 89 -6.932 -8.668 6.774 476 HG SER 89 HG SER 89 -10.101 -10.361 6.225 477 HB2 SER 89 2HB SER 89 -8.098 -10.806 7.288 478 HB3 SER 89 3HB SER 89 -8.451 -9.467 8.386 479 H PHE 90 H PHE 90 -5.906 -8.624 4.731 480 HA PHE 90 HA PHE 90 -7.204 -10.266 2.571 481 HD1 PHE 90 HD2 PHE 90 -4.436 -10.987 0.755 482 HD2 PHE 90 HD1 PHE 90 -7.088 -7.622 0.238 483 HE1 PHE 90 HE2 PHE 90 -4.899 -11.706 -1.571 484 HE2 PHE 90 HE1 PHE 90 -7.439 -8.267 -2.121 485 HZ PHE 90 HZ PHE 90 -6.423 -10.363 -2.996 486 HB2 PHE 90 2HB PHE 90 -6.209 -8.014 2.241 487 HB3 PHE 90 3HB PHE 90 -4.632 -8.679 2.470 488 H ALA 91 H ALA 91 -6.393 -12.211 1.954 489 HA ALA 91 HA ALA 91 -5.519 -14.255 2.048 490 HB1 ALA 91 1HB ALA 91 -3.069 -14.427 2.107 491 HB2 ALA 91 2HB ALA 91 -3.631 -13.111 1.072 492 HB3 ALA 91 3HB ALA 91 -2.960 -12.750 2.680 493 H ASN 92 H ASN 92 -3.986 -12.730 4.898 494 HA ASN 92 HA ASN 92 -5.055 -14.764 6.731 495 HB2 ASN 92 2HB ASN 92 -2.858 -15.495 7.516 496 HB3 ASN 92 3HB ASN 92 -3.004 -15.826 5.794 497 HD21 ASN 92 1HD2 ASN 92 -1.596 -14.677 4.326 498 HD22 ASN 92 2HD2 ASN 92 -0.308 -13.639 4.919 499 H GLN 93 H GLN 93 -4.079 -11.508 6.173 500 HA GLN 93 HA GLN 93 -4.359 -10.744 8.983 501 HB2 GLN 93 2HB GLN 93 -2.124 -9.932 9.333 502 HB3 GLN 93 3HB GLN 93 -1.997 -11.613 8.871 503 HG2 GLN 93 2HG GLN 93 -1.510 -10.844 6.527 504 HG3 GLN 93 3HG GLN 93 -1.500 -9.175 7.126 505 HE21 GLN 93 2HE2 GLN 93 0.149 -12.327 7.379 506 HE22 GLN 93 1HE2 GLN 93 1.722 -11.619 7.722 507 HA PRO 94 HA PRO 94 -5.456 -7.089 6.936 508 HB2 PRO 94 2HB PRO 94 -5.055 -5.036 8.756 509 HB3 PRO 94 3HB PRO 94 -6.321 -6.294 8.958 510 HG2 PRO 94 2HG PRO 94 -3.503 -6.291 10.112 511 HG3 PRO 94 3HG PRO 94 -5.050 -6.536 10.990 512 HD2 PRO 94 2HD PRO 94 -3.551 -8.609 10.172 513 HD3 PRO 94 3HD PRO 94 -5.334 -8.675 9.994 514 H LEU 95 H LEU 95 -4.955 -5.366 5.782 515 HA LEU 95 HA LEU 95 -2.210 -4.833 5.007 516 HG LEU 95 HG LEU 95 -4.364 -4.228 2.045 517 HB2 LEU 95 2HB LEU 95 -4.889 -3.492 4.457 518 HB3 LEU 95 3HB LEU 95 -3.405 -3.000 3.729 519 HD11 LEU 95 1HD1 LEU 95 -2.767 -6.296 3.497 520 HD12 LEU 95 2HD1 LEU 95 -3.239 -6.372 1.795 521 HD13 LEU 95 3HD1 LEU 95 -2.126 -5.104 2.359 522 HD21 LEU 95 3HD2 LEU 95 -6.239 -4.990 3.443 523 HD22 LEU 95 1HD2 LEU 95 -5.696 -5.975 2.091 524 HD23 LEU 95 2HD2 LEU 95 -5.253 -6.452 3.763 525 H GLU 96 H GLU 96 -1.106 -2.867 5.150 526 HA GLU 96 HA GLU 96 -1.703 -1.206 7.543 527 HB2 GLU 96 2HB GLU 96 -0.112 -3.139 7.802 528 HB3 GLU 96 3HB GLU 96 1.004 -2.337 6.701 529 HG2 GLU 96 2HG GLU 96 1.320 -0.514 8.196 530 HG3 GLU 96 3HG GLU 96 -0.049 -0.995 9.220 531 H VAL 97 H VAL 97 -2.631 -0.373 5.412 532 HA VAL 97 HA VAL 97 -1.084 1.027 3.445 533 HB VAL 97 HB VAL 97 -3.944 0.976 4.440 534 HG11 VAL 97 1HG1 VAL 97 -4.824 1.850 2.378 535 HG12 VAL 97 2HG1 VAL 97 -3.812 3.064 3.171 536 HG13 VAL 97 3HG1 VAL 97 -3.224 2.156 1.749 537 HG21 VAL 97 3HG2 VAL 97 -2.603 -1.025 3.115 538 HG22 VAL 97 1HG2 VAL 97 -4.342 -0.789 2.991 539 HG23 VAL 97 2HG2 VAL 97 -3.249 -0.169 1.725 540 H VAL 98 H VAL 98 0.134 3.043 4.244 541 HA VAL 98 HA VAL 98 -1.414 4.842 5.937 542 HB VAL 98 HB VAL 98 -0.632 2.599 7.074 543 HG11 VAL 98 1HG1 VAL 98 1.913 3.834 7.907 544 HG12 VAL 98 2HG1 VAL 98 1.233 2.247 8.168 545 HG13 VAL 98 3HG1 VAL 98 1.777 2.643 6.552 546 HG21 VAL 98 3HG2 VAL 98 -0.830 3.621 9.166 547 HG22 VAL 98 1HG2 VAL 98 -0.690 5.231 8.387 548 HG23 VAL 98 2HG2 VAL 98 -2.014 4.100 7.927 549 H TYR 99 H TYR 99 1.738 5.022 6.851 550 HA TYR 99 HA TYR 99 2.529 7.070 4.819 551 HD1 TYR 99 HD1 TYR 99 0.705 8.237 5.465 552 HD2 TYR 99 HD2 TYR 99 2.393 8.331 9.436 553 HE1 TYR 99 HE1 TYR 99 -1.341 9.309 6.277 554 HE2 TYR 99 HE2 TYR 99 0.361 9.495 10.256 555 HH TYR 99 HH TYR 99 -1.710 10.324 9.726 556 HB2 TYR 99 2HB TYR 99 3.347 6.882 7.724 557 HB3 TYR 99 3HB TYR 99 3.683 8.212 6.620 558 H SER 100 H SER 100 2.968 4.081 5.224 559 HA SER 100 HA SER 100 4.683 2.557 5.754 560 HG SER 100 HG SER 100 2.550 2.913 3.783 561 HB2 SER 100 2HB SER 100 4.509 3.039 2.834 562 HB3 SER 100 3HB SER 100 5.086 1.612 3.660 563 H LYS 101 H LYS 101 6.256 5.029 3.559 564 HA LYS 101 HA LYS 101 8.910 4.349 4.588 565 HB2 LYS 101 2HB LYS 101 9.820 3.468 2.492 566 HB3 LYS 101 3HB LYS 101 8.552 2.460 3.136 567 HG2 LYS 101 2HG LYS 101 8.201 2.399 0.865 568 HG3 LYS 101 3HG LYS 101 6.956 3.509 1.419 569 HD2 LYS 101 2HD LYS 101 8.209 5.419 0.518 570 HD3 LYS 101 3HD LYS 101 9.638 4.407 0.265 571 HE2 LYS 101 2HE LYS 101 8.398 3.055 -1.387 572 HE3 LYS 101 3HE LYS 101 6.964 4.069 -1.161 573 HZ1 LYS 101 3HZ LYS 101 8.466 4.716 -3.116 574 HZ2 LYS 101 1HZ LYS 101 8.032 5.890 -2.091 575 HZ3 LYS 101 2HZ LYS 101 9.555 5.254 -1.991 576 H LEU 102 H LEU 102 10.657 5.516 3.591 577 HA LEU 102 HA LEU 102 9.968 7.967 2.088 578 HG LEU 102 HG LEU 102 9.893 10.303 3.229 579 HB2 LEU 102 2HB LEU 102 9.719 8.307 4.603 580 HB3 LEU 102 3HB LEU 102 11.455 8.162 4.731 581 HD11 LEU 102 1HD1 LEU 102 10.733 11.781 4.984 582 HD12 LEU 102 2HD1 LEU 102 9.899 10.411 5.722 583 HD13 LEU 102 3HD1 LEU 102 11.672 10.453 5.701 584 HD21 LEU 102 3HD2 LEU 102 12.909 9.962 3.504 585 HD22 LEU 102 1HD2 LEU 102 11.953 10.147 2.001 586 HD23 LEU 102 2HD2 LEU 102 12.122 11.504 3.097 587 HA PRO 103 HA PRO 103 14.664 7.487 1.710 588 HB2 PRO 103 2HB PRO 103 16.189 5.642 2.978 589 HB3 PRO 103 3HB PRO 103 15.504 7.046 3.844 590 HG2 PRO 103 2HG PRO 103 14.324 4.247 3.671 591 HG3 PRO 103 3HG PRO 103 14.700 5.193 5.151 592 HD2 PRO 103 2HD PRO 103 12.228 5.184 4.051 593 HD3 PRO 103 3HD PRO 103 12.919 6.657 4.791 594 H ALA 104 H ALA 104 12.547 5.880 0.379 595 HA ALA 104 HA ALA 104 14.154 4.181 -1.393 596 HB1 ALA 104 1HB ALA 104 13.437 2.601 0.364 597 HB2 ALA 104 2HB ALA 104 11.749 3.118 0.158 598 HB3 ALA 104 3HB ALA 104 12.583 2.270 -1.150 Start of MODEL 14 1 H GLU 28 H GLU 28 6.540 14.331 11.698 2 HA GLU 28 HA GLU 28 5.406 14.062 8.997 3 HB2 GLU 28 2HB GLU 28 6.970 15.994 9.248 4 HB3 GLU 28 3HB GLU 28 8.234 14.892 9.784 5 HG2 GLU 28 2HG GLU 28 8.364 15.597 7.364 6 HG3 GLU 28 3HG GLU 28 8.385 13.860 7.634 7 H LEU 29 H LEU 29 6.194 12.308 7.750 8 HA LEU 29 HA LEU 29 7.730 10.141 9.016 9 HG LEU 29 HG LEU 29 4.835 7.640 9.284 10 HB2 LEU 29 2HB LEU 29 5.260 10.103 9.891 11 HB3 LEU 29 3HB LEU 29 4.797 9.680 8.278 12 HD11 LEU 29 1HD1 LEU 29 6.703 6.295 8.647 13 HD12 LEU 29 2HD1 LEU 29 6.434 7.477 7.368 14 HD13 LEU 29 3HD1 LEU 29 7.779 7.701 8.519 15 HD21 LEU 29 3HD2 LEU 29 7.301 8.421 10.867 16 HD22 LEU 29 1HD2 LEU 29 5.616 8.392 11.446 17 HD23 LEU 29 2HD2 LEU 29 6.405 6.881 10.982 18 H SER 30 H SER 30 5.298 10.660 6.583 19 HA SER 30 HA SER 30 6.777 10.741 4.239 20 HG SER 30 HG SER 30 7.861 8.589 5.231 21 HB2 SER 30 2HB SER 30 5.553 7.970 4.728 22 HB3 SER 30 3HB SER 30 5.993 8.609 3.140 23 H ASN 31 H ASN 31 3.854 9.786 5.885 24 HA ASN 31 HA ASN 31 1.708 10.283 5.807 25 HB2 ASN 31 2HB ASN 31 2.282 12.662 4.102 26 HB3 ASN 31 3HB ASN 31 1.044 12.465 5.328 27 HD21 ASN 31 2HD2 ASN 31 2.854 14.643 5.114 28 HD22 ASN 31 1HD2 ASN 31 4.047 14.571 6.394 29 H THR 32 H THR 32 2.954 8.882 3.222 30 HA THR 32 HA THR 32 0.527 9.045 1.486 31 HB THR 32 HB THR 32 2.003 9.495 -0.436 32 HG1 THR 32 1HG THR 32 3.979 10.255 1.419 33 HG21 THR 32 1HG2 THR 32 0.873 11.402 0.613 34 HG22 THR 32 2HG2 THR 32 2.320 11.688 1.615 35 HG23 THR 32 3HG2 THR 32 2.419 11.812 -0.141 36 H ARG 33 H ARG 33 1.750 6.494 2.972 37 HA ARG 33 HA ARG 33 2.600 5.040 0.479 38 HE ARG 33 HE ARG 33 7.208 6.473 -0.246 39 HB2 ARG 33 2HB ARG 33 4.257 5.390 2.970 40 HB3 ARG 33 3HB ARG 33 4.499 4.060 1.822 41 HG2 ARG 33 2HG ARG 33 5.202 5.205 0.162 42 HG3 ARG 33 3HG ARG 33 4.671 6.803 0.841 43 HD2 ARG 33 2HD ARG 33 6.371 6.618 2.561 44 HD3 ARG 33 3HD ARG 33 6.831 5.005 1.987 45 HH11 ARG 33 2HH1 ARG 33 8.467 7.211 2.968 46 HH12 ARG 33 1HH1 ARG 33 10.055 7.548 2.296 47 HH21 ARG 33 1HH2 ARG 33 9.036 7.088 -0.956 48 HH22 ARG 33 2HH2 ARG 33 10.364 7.550 0.145 49 H LEU 34 H LEU 34 2.167 2.953 0.311 50 HA LEU 34 HA LEU 34 0.533 1.871 2.548 51 HG LEU 34 HG LEU 34 -1.963 2.731 -0.044 52 HB2 LEU 34 2HB LEU 34 0.087 1.197 -0.278 53 HB3 LEU 34 3HB LEU 34 -0.982 1.032 1.062 54 HD11 LEU 34 1HD1 LEU 34 -1.142 3.698 2.278 55 HD12 LEU 34 2HD1 LEU 34 -0.242 4.809 1.230 56 HD13 LEU 34 3HD1 LEU 34 -1.978 4.689 1.077 57 HD21 LEU 34 3HD2 LEU 34 -0.501 4.643 -1.128 58 HD22 LEU 34 1HD2 LEU 34 0.734 3.398 -1.090 59 HD23 LEU 34 2HD2 LEU 34 -0.798 3.090 -1.919 60 H PHE 35 H PHE 35 1.413 0.320 3.678 61 HA PHE 35 HA PHE 35 3.363 -1.478 2.404 62 HD1 PHE 35 HD2 PHE 35 4.238 -3.570 3.342 63 HD2 PHE 35 HD1 PHE 35 5.158 -0.926 6.637 64 HE1 PHE 35 HE2 PHE 35 5.943 -5.138 4.128 65 HE2 PHE 35 HE1 PHE 35 6.862 -2.541 7.436 66 HZ PHE 35 HZ PHE 35 7.267 -4.650 6.175 67 HB2 PHE 35 2HB PHE 35 4.265 -0.265 4.057 68 HB3 PHE 35 3HB PHE 35 3.143 -0.471 5.280 69 H VAL 36 H VAL 36 2.392 -3.085 1.534 70 HA VAL 36 HA VAL 36 0.464 -4.658 3.188 71 HB VAL 36 HB VAL 36 -0.938 -4.918 1.199 72 HG11 VAL 36 1HG1 VAL 36 -0.528 -2.013 2.110 73 HG12 VAL 36 2HG1 VAL 36 -2.029 -2.743 1.498 74 HG13 VAL 36 3HG1 VAL 36 -1.371 -3.238 3.080 75 HG21 VAL 36 3HG2 VAL 36 -0.886 -3.363 -0.525 76 HG22 VAL 36 1HG2 VAL 36 0.445 -2.392 0.211 77 HG23 VAL 36 2HG2 VAL 36 0.748 -4.050 -0.443 78 H ARG 37 H ARG 37 0.783 -6.578 3.291 79 HA ARG 37 HA ARG 37 2.811 -8.026 1.654 80 HE ARG 37 HE ARG 37 3.202 -7.596 8.004 81 HB2 ARG 37 2HB ARG 37 4.141 -8.382 3.733 82 HB3 ARG 37 3HB ARG 37 4.046 -6.709 3.215 83 HG2 ARG 37 2HG ARG 37 2.613 -6.054 4.957 84 HG3 ARG 37 3HG ARG 37 2.136 -7.708 5.328 85 HD2 ARG 37 2HD ARG 37 4.442 -8.181 6.140 86 HD3 ARG 37 3HD ARG 37 4.890 -6.505 5.845 87 HH11 ARG 37 2HH2 ARG 37 4.240 -4.557 6.532 88 HH12 ARG 37 1HH2 ARG 37 3.672 -3.633 7.900 89 HH21 ARG 37 2HH1 ARG 37 2.491 -6.303 9.657 90 HH22 ARG 37 1HH1 ARG 37 2.651 -4.566 9.546 91 HA PRO 38 HA PRO 38 0.011 -11.253 4.064 92 HB2 PRO 38 2HB PRO 38 -1.923 -10.821 1.764 93 HB3 PRO 38 3HB PRO 38 -2.267 -11.453 3.383 94 HG2 PRO 38 2HG PRO 38 -2.855 -8.952 2.740 95 HG3 PRO 38 3HG PRO 38 -2.068 -9.251 4.321 96 HD2 PRO 38 2HD PRO 38 -0.795 -8.202 1.816 97 HD3 PRO 38 3HD PRO 38 -0.564 -7.723 3.531 98 H PHE 39 H PHE 39 0.239 -10.442 0.674 99 HA PHE 39 HA PHE 39 0.060 -13.079 -0.377 100 HD1 PHE 39 HD2 PHE 39 1.809 -9.149 -1.101 101 HD2 PHE 39 HD1 PHE 39 -2.337 -10.315 -1.420 102 HE1 PHE 39 HE2 PHE 39 1.115 -6.789 -0.824 103 HE2 PHE 39 HE1 PHE 39 -3.014 -7.959 -1.071 104 HZ PHE 39 HZ PHE 39 -1.301 -6.189 -0.798 105 HB2 PHE 39 2HB PHE 39 1.105 -11.268 -2.296 106 HB3 PHE 39 3HB PHE 39 -0.544 -11.856 -2.143 107 HA PRO 40 HA PRO 40 4.522 -13.962 -0.842 108 HB2 PRO 40 2HB PRO 40 3.597 -16.030 -2.771 109 HB3 PRO 40 3HB PRO 40 4.596 -16.195 -1.303 110 HG2 PRO 40 2HG PRO 40 1.979 -17.056 -1.438 111 HG3 PRO 40 3HG PRO 40 2.760 -16.486 0.064 112 HD2 PRO 40 2HD PRO 40 0.852 -15.006 -1.728 113 HD3 PRO 40 3HD PRO 40 1.021 -14.981 0.041 114 H LEU 41 H LEU 41 5.579 -14.707 -3.316 115 HA LEU 41 HA LEU 41 5.733 -12.216 -4.655 116 HG LEU 41 HG LEU 41 8.098 -12.439 -4.389 117 HB2 LEU 41 2HB LEU 41 6.740 -15.003 -5.353 118 HB3 LEU 41 3HB LEU 41 7.042 -13.599 -6.367 119 HD11 LEU 41 1HD1 LEU 41 7.356 -13.770 -2.484 120 HD12 LEU 41 2HD1 LEU 41 8.025 -15.253 -3.212 121 HD13 LEU 41 3HD1 LEU 41 9.096 -13.958 -2.648 122 HD21 LEU 41 3HD2 LEU 41 9.394 -15.015 -5.366 123 HD22 LEU 41 1HD2 LEU 41 9.401 -13.453 -6.218 124 HD23 LEU 41 2HD2 LEU 41 10.238 -13.612 -4.671 125 H ASP 42 H ASP 42 3.157 -14.321 -5.024 126 HA ASP 42 HA ASP 42 2.561 -14.005 -7.844 127 HB2 ASP 42 2HB ASP 42 0.318 -14.792 -7.135 128 HB3 ASP 42 3HB ASP 42 1.639 -15.868 -6.680 129 H VAL 43 H VAL 43 2.316 -11.678 -5.320 130 HA VAL 43 HA VAL 43 0.162 -10.141 -6.659 131 HB VAL 43 HB VAL 43 0.477 -10.015 -4.219 132 HG11 VAL 43 1HG1 VAL 43 2.329 -8.744 -3.244 133 HG12 VAL 43 2HG1 VAL 43 2.941 -10.148 -4.132 134 HG13 VAL 43 3HG1 VAL 43 3.062 -8.515 -4.822 135 HG21 VAL 43 3HG2 VAL 43 -0.638 -8.165 -5.397 136 HG22 VAL 43 1HG2 VAL 43 0.213 -7.623 -3.953 137 HG23 VAL 43 2HG2 VAL 43 0.912 -7.311 -5.549 138 H GLN 44 H GLN 44 0.458 -8.273 -7.882 139 HA GLN 44 HA GLN 44 2.919 -6.932 -8.115 140 HB2 GLN 44 2HB GLN 44 3.466 -7.146 -10.488 141 HB3 GLN 44 3HB GLN 44 3.782 -8.586 -9.592 142 HG2 GLN 44 2HG GLN 44 1.161 -8.409 -11.084 143 HG3 GLN 44 3HG GLN 44 2.651 -8.617 -11.991 144 HE21 GLN 44 2HE2 GLN 44 0.324 -10.254 -10.053 145 HE22 GLN 44 1HE2 GLN 44 1.179 -11.773 -9.888 146 H GLU 45 H GLU 45 2.561 -5.503 -10.491 147 HA GLU 45 HA GLU 45 0.987 -3.474 -9.442 148 HB2 GLU 45 2HB GLU 45 2.570 -3.919 -11.821 149 HB3 GLU 45 3HB GLU 45 1.081 -3.125 -12.307 150 HG2 GLU 45 2HG GLU 45 2.875 -2.140 -10.057 151 HG3 GLU 45 3HG GLU 45 3.006 -1.603 -11.730 152 H SER 46 H SER 46 -0.291 -5.985 -11.736 153 HA SER 46 HA SER 46 -2.760 -4.572 -12.141 154 HG SER 46 HG SER 46 -2.144 -8.310 -11.816 155 HB2 SER 46 2HB SER 46 -3.629 -6.940 -12.701 156 HB3 SER 46 3HB SER 46 -2.367 -6.219 -13.702 157 H GLU 47 H GLU 47 -1.653 -6.441 -9.336 158 HA GLU 47 HA GLU 47 -4.371 -7.034 -8.344 159 HB2 GLU 47 2HB GLU 47 -1.469 -7.626 -7.586 160 HB3 GLU 47 3HB GLU 47 -2.731 -7.869 -6.463 161 HG2 GLU 47 2HG GLU 47 -2.320 -9.950 -7.537 162 HG3 GLU 47 3HG GLU 47 -3.883 -9.396 -8.149 163 H LEU 48 H LEU 48 -1.449 -5.108 -7.706 164 HA LEU 48 HA LEU 48 -2.469 -3.600 -5.482 165 HG LEU 48 HG LEU 48 -0.078 -5.136 -6.003 166 HB2 LEU 48 2HB LEU 48 -0.390 -2.933 -7.573 167 HB3 LEU 48 3HB LEU 48 -0.561 -2.138 -6.136 168 HD11 LEU 48 1HD1 LEU 48 2.266 -4.853 -6.080 169 HD12 LEU 48 2HD1 LEU 48 1.618 -4.130 -7.555 170 HD13 LEU 48 3HD1 LEU 48 2.123 -3.086 -6.221 171 HD21 LEU 48 3HD2 LEU 48 1.230 -4.455 -4.079 172 HD22 LEU 48 1HD2 LEU 48 0.820 -2.726 -4.399 173 HD23 LEU 48 2HD2 LEU 48 -0.454 -3.956 -3.940 174 H ASN 49 H ASN 49 -2.546 -3.117 -9.049 175 HA ASN 49 HA ASN 49 -4.049 -0.672 -9.014 176 HB2 ASN 49 2HB ASN 49 -3.711 -2.833 -11.079 177 HB3 ASN 49 3HB ASN 49 -5.066 -1.742 -11.258 178 HD21 ASN 49 2HD2 ASN 49 -1.545 -1.705 -10.801 179 HD22 ASN 49 1HD2 ASN 49 -1.270 -0.235 -11.696 180 H GLU 50 H GLU 50 -5.330 -4.055 -8.991 181 HA GLU 50 HA GLU 50 -8.079 -3.319 -8.777 182 HB2 GLU 50 2HB GLU 50 -6.401 -5.677 -8.019 183 HB3 GLU 50 3HB GLU 50 -8.039 -5.605 -7.378 184 HG2 GLU 50 2HG GLU 50 -7.274 -5.394 -10.343 185 HG3 GLU 50 3HG GLU 50 -7.755 -6.886 -9.552 186 H ILE 51 H ILE 51 -5.630 -3.563 -6.219 187 HA ILE 51 HA ILE 51 -7.550 -3.201 -4.046 188 HB ILE 51 HB ILE 51 -4.554 -3.327 -4.300 189 HG12 ILE 51 2HG1 ILE 51 -6.481 -5.300 -2.967 190 HG13 ILE 51 3HG1 ILE 51 -6.016 -5.429 -4.652 191 HG21 ILE 51 1HG2 ILE 51 -4.975 -1.975 -2.294 192 HG22 ILE 51 2HG2 ILE 51 -6.186 -3.156 -1.732 193 HG23 ILE 51 3HG2 ILE 51 -4.459 -3.574 -1.796 194 HD11 ILE 51 3HD1 ILE 51 -4.625 -6.944 -3.474 195 HD12 ILE 51 1HD1 ILE 51 -3.585 -5.576 -3.903 196 HD13 ILE 51 2HD1 ILE 51 -4.198 -5.755 -2.238 197 H PHE 52 H PHE 52 -5.101 -1.095 -5.567 198 HA PHE 52 HA PHE 52 -5.629 1.131 -3.735 199 HD1 PHE 52 HD1 PHE 52 -3.820 1.767 -2.219 200 HD2 PHE 52 HD2 PHE 52 -2.126 -0.949 -5.088 201 HE1 PHE 52 HE1 PHE 52 -2.636 0.575 -0.400 202 HE2 PHE 52 HE2 PHE 52 -0.889 -2.054 -3.258 203 HZ PHE 52 HZ PHE 52 -1.071 -1.310 -1.027 204 HB2 PHE 52 2HB PHE 52 -3.615 0.673 -5.831 205 HB3 PHE 52 3HB PHE 52 -3.694 2.158 -4.876 206 H GLY 53 H GLY 53 -5.973 0.340 -7.186 207 HA2 GLY 53 2HA GLY 53 -6.345 2.831 -8.369 208 HA3 GLY 53 3HA GLY 53 -7.122 1.332 -8.878 209 HA PRO 54 HA PRO 54 -11.071 2.674 -7.040 210 HB2 PRO 54 2HB PRO 54 -10.689 1.597 -4.249 211 HB3 PRO 54 3HB PRO 54 -12.085 1.407 -5.360 212 HG2 PRO 54 2HG PRO 54 -10.357 -0.641 -5.007 213 HG3 PRO 54 3HG PRO 54 -10.902 -0.229 -6.670 214 HD2 PRO 54 2HD PRO 54 -8.396 0.682 -5.244 215 HD3 PRO 54 3HD PRO 54 -8.481 -0.134 -6.818 216 H PHE 55 H PHE 55 -8.280 3.372 -4.968 217 HA PHE 55 HA PHE 55 -9.513 5.601 -3.506 218 HD1 PHE 55 HD1 PHE 55 -9.701 3.842 -2.237 219 HD2 PHE 55 HD2 PHE 55 -5.448 3.247 -2.614 220 HE1 PHE 55 HE1 PHE 55 -9.931 1.614 -1.172 221 HE2 PHE 55 HE2 PHE 55 -5.677 1.104 -1.282 222 HZ PHE 55 HZ PHE 55 -7.915 0.283 -0.649 223 HB2 PHE 55 2HB PHE 55 -6.559 4.970 -3.794 224 HB3 PHE 55 3HB PHE 55 -7.353 5.852 -2.519 225 H GLY 56 H GLY 56 -7.668 5.150 -6.426 226 HA2 GLY 56 2HA GLY 56 -8.244 6.909 -8.037 227 HA3 GLY 56 3HA GLY 56 -7.661 8.080 -6.851 228 HA PRO 57 HA PRO 57 -3.679 7.743 -8.764 229 HB2 PRO 57 2HB PRO 57 -1.998 8.738 -6.878 230 HB3 PRO 57 3HB PRO 57 -3.327 9.726 -7.560 231 HG2 PRO 57 2HG PRO 57 -3.323 8.153 -4.953 232 HG3 PRO 57 3HG PRO 57 -3.786 9.867 -5.210 233 HD2 PRO 57 2HD PRO 57 -5.613 7.812 -5.163 234 HD3 PRO 57 3HD PRO 57 -5.835 9.268 -6.173 235 H MET 58 H MET 58 -1.591 6.822 -8.699 236 HA MET 58 HA MET 58 -0.509 5.061 -6.618 237 HB2 MET 58 2HB MET 58 -0.345 3.748 -9.233 238 HB3 MET 58 3HB MET 58 -0.263 3.149 -7.617 239 HG2 MET 58 2HG MET 58 -2.767 3.428 -7.411 240 HG3 MET 58 3HG MET 58 -2.814 3.860 -9.127 241 HE1 MET 58 3HE MET 58 -1.835 1.517 -6.432 242 HE2 MET 58 1HE MET 58 -1.866 -0.124 -7.122 243 HE3 MET 58 2HE MET 58 -0.480 0.938 -7.440 244 H LYS 59 H LYS 59 1.092 6.561 -6.490 245 HA LYS 59 HA LYS 59 2.265 7.772 -8.883 246 HB2 LYS 59 2HB LYS 59 1.148 8.771 -6.789 247 HB3 LYS 59 3HB LYS 59 2.601 8.289 -5.913 248 HG2 LYS 59 2HG LYS 59 2.630 10.114 -8.327 249 HG3 LYS 59 3HG LYS 59 2.222 10.603 -6.691 250 HD2 LYS 59 2HD LYS 59 4.889 9.771 -7.714 251 HD3 LYS 59 3HD LYS 59 4.330 11.199 -6.859 252 HE2 LYS 59 2HE LYS 59 4.245 10.134 -4.765 253 HE3 LYS 59 3HE LYS 59 4.553 8.536 -5.496 254 HZ1 LYS 59 3HZ LYS 59 6.728 9.415 -6.242 255 HZ2 LYS 59 1HZ LYS 59 6.481 10.784 -5.377 256 HZ3 LYS 59 2HZ LYS 59 6.602 9.324 -4.627 257 H GLU 60 H GLU 60 2.981 5.480 -6.416 258 HA GLU 60 HA GLU 60 5.185 4.406 -7.854 259 HB2 GLU 60 2HB GLU 60 5.966 6.301 -5.803 260 HB3 GLU 60 3HB GLU 60 6.453 4.688 -5.291 261 HG2 GLU 60 2HG GLU 60 7.068 5.624 -8.115 262 HG3 GLU 60 3HG GLU 60 7.980 6.236 -6.755 263 H VAL 61 H VAL 61 6.069 2.551 -7.001 264 HA VAL 61 HA VAL 61 4.286 0.861 -5.381 265 HB VAL 61 HB VAL 61 4.462 0.164 -8.354 266 HG11 VAL 61 1HG1 VAL 61 2.610 -1.229 -7.895 267 HG12 VAL 61 2HG1 VAL 61 3.680 -1.402 -6.481 268 HG13 VAL 61 3HG1 VAL 61 2.218 -0.410 -6.393 269 HG21 VAL 61 3HG2 VAL 61 2.266 1.014 -8.890 270 HG22 VAL 61 1HG2 VAL 61 2.177 1.877 -7.354 271 HG23 VAL 61 2HG2 VAL 61 3.393 2.323 -8.576 272 H LYS 62 H LYS 62 6.243 0.725 -4.343 273 HA LYS 62 HA LYS 62 8.510 -0.674 -5.631 274 HB2 LYS 62 2HB LYS 62 7.898 -0.156 -2.708 275 HB3 LYS 62 3HB LYS 62 9.464 -0.567 -3.353 276 HG2 LYS 62 2HG LYS 62 8.225 1.959 -4.479 277 HG3 LYS 62 3HG LYS 62 8.526 1.982 -2.780 278 HD2 LYS 62 2HD LYS 62 10.415 2.899 -4.121 279 HD3 LYS 62 3HD LYS 62 10.918 1.502 -3.173 280 HE2 LYS 62 2HE LYS 62 11.909 1.317 -5.359 281 HE3 LYS 62 3HE LYS 62 10.696 0.052 -5.193 282 HZ1 LYS 62 3HZ LYS 62 10.518 1.151 -7.353 283 HZ2 LYS 62 1HZ LYS 62 9.167 1.539 -6.511 284 HZ3 LYS 62 2HZ LYS 62 10.320 2.625 -6.668 285 H ILE 63 H ILE 63 8.513 -2.854 -5.866 286 HA ILE 63 HA ILE 63 6.687 -4.528 -4.220 287 HB ILE 63 HB ILE 63 6.971 -4.853 -7.238 288 HG12 ILE 63 2HG1 ILE 63 4.556 -3.799 -5.703 289 HG13 ILE 63 3HG1 ILE 63 5.654 -2.801 -6.643 290 HG21 ILE 63 1HG2 ILE 63 5.110 -6.211 -5.223 291 HG22 ILE 63 2HG2 ILE 63 5.158 -6.530 -6.972 292 HG23 ILE 63 3HG2 ILE 63 6.530 -6.967 -5.969 293 HD11 ILE 63 3HD1 ILE 63 3.683 -3.184 -7.946 294 HD12 ILE 63 1HD1 ILE 63 5.047 -4.012 -8.724 295 HD13 ILE 63 2HD1 ILE 63 3.829 -4.920 -7.781 296 H LEU 64 H LEU 64 7.511 -6.153 -3.374 297 HA LEU 64 HA LEU 64 10.221 -7.144 -4.090 298 HG LEU 64 HG LEU 64 10.804 -4.762 -1.090 299 HB2 LEU 64 2HB LEU 64 9.411 -6.607 -1.288 300 HB3 LEU 64 3HB LEU 64 10.966 -6.990 -1.904 301 HD11 LEU 64 1HD1 LEU 64 11.895 -3.604 -2.891 302 HD12 LEU 64 2HD1 LEU 64 12.420 -5.303 -2.802 303 HD13 LEU 64 3HD1 LEU 64 11.254 -4.791 -4.054 304 HD21 LEU 64 3HD2 LEU 64 9.675 -2.980 -1.743 305 HD22 LEU 64 1HD2 LEU 64 9.315 -3.608 -3.327 306 HD23 LEU 64 2HD2 LEU 64 8.412 -4.232 -1.913 307 H ASN 65 H ASN 65 10.585 -8.955 -2.292 308 HA ASN 65 HA ASN 65 9.539 -11.343 -3.056 309 HB2 ASN 65 2HB ASN 65 10.617 -10.692 -0.338 310 HB3 ASN 65 3HB ASN 65 10.832 -12.228 -1.184 311 HD21 ASN 65 2HD2 ASN 65 12.435 -9.398 -0.381 312 HD22 ASN 65 1HD2 ASN 65 13.593 -9.373 -1.699 313 H GLY 66 H GLY 66 7.081 -10.207 -2.560 314 HA2 GLY 66 2HA GLY 66 5.088 -11.029 -1.710 315 HA3 GLY 66 3HA GLY 66 5.805 -11.694 -0.275 316 H PHE 67 H PHE 67 6.598 -8.492 -1.576 317 HA PHE 67 HA PHE 67 4.976 -7.121 0.545 318 HD1 PHE 67 HD2 PHE 67 6.020 -7.603 2.889 319 HD2 PHE 67 HD1 PHE 67 9.424 -8.143 0.325 320 HE1 PHE 67 HE2 PHE 67 6.730 -9.538 4.271 321 HE2 PHE 67 HE1 PHE 67 10.173 -10.036 1.742 322 HZ PHE 67 HZ PHE 67 8.838 -10.745 3.705 323 HB2 PHE 67 2HB PHE 67 7.807 -6.404 -0.140 324 HB3 PHE 67 3HB PHE 67 6.911 -5.757 1.146 325 H ALA 68 H ALA 68 4.227 -5.126 0.034 326 HA ALA 68 HA ALA 68 5.260 -3.708 -2.382 327 HB1 ALA 68 1HB ALA 68 2.370 -4.292 -1.785 328 HB2 ALA 68 2HB ALA 68 2.966 -3.111 -2.977 329 HB3 ALA 68 3HB ALA 68 3.330 -4.841 -3.171 330 H PHE 69 H PHE 69 5.607 -1.706 -2.092 331 HA PHE 69 HA PHE 69 4.434 -0.216 0.173 332 HD1 PHE 69 HD1 PHE 69 7.757 -2.184 -0.854 333 HD2 PHE 69 HD2 PHE 69 6.780 -0.069 2.743 334 HE1 PHE 69 HE1 PHE 69 8.786 -4.042 0.448 335 HE2 PHE 69 HE2 PHE 69 7.804 -1.926 4.089 336 HZ PHE 69 HZ PHE 69 8.776 -3.911 2.945 337 HB2 PHE 69 2HB PHE 69 7.270 0.326 -0.748 338 HB3 PHE 69 3HB PHE 69 6.444 0.957 0.646 339 H VAL 70 H VAL 70 2.884 0.341 -1.152 340 HA VAL 70 HA VAL 70 3.496 1.760 -3.651 341 HB VAL 70 HB VAL 70 0.735 1.438 -2.404 342 HG11 VAL 70 1HG1 VAL 70 1.684 1.338 -5.273 343 HG12 VAL 70 2HG1 VAL 70 0.020 1.265 -4.740 344 HG13 VAL 70 3HG1 VAL 70 0.917 2.811 -4.575 345 HG21 VAL 70 3HG2 VAL 70 1.603 -0.781 -2.533 346 HG22 VAL 70 1HG2 VAL 70 0.643 -0.526 -4.001 347 HG23 VAL 70 2HG2 VAL 70 2.410 -0.375 -4.122 348 H GLU 71 H GLU 71 2.623 3.962 -3.995 349 HA GLU 71 HA GLU 71 2.928 5.724 -1.612 350 HB2 GLU 71 2HB GLU 71 5.194 4.940 -2.515 351 HB3 GLU 71 3HB GLU 71 4.755 5.715 -4.031 352 HG2 GLU 71 2HG GLU 71 4.640 7.903 -2.963 353 HG3 GLU 71 3HG GLU 71 4.950 7.181 -1.387 354 H PHE 72 H PHE 72 2.078 7.681 -1.929 355 HA PHE 72 HA PHE 72 1.020 8.467 -4.617 356 HD1 PHE 72 HD2 PHE 72 -0.465 6.563 -4.881 357 HD2 PHE 72 HD1 PHE 72 -1.933 7.612 -0.991 358 HE1 PHE 72 HE2 PHE 72 -1.753 4.438 -4.787 359 HE2 PHE 72 HE1 PHE 72 -3.342 5.586 -0.961 360 HZ PHE 72 HZ PHE 72 -3.257 3.989 -2.873 361 HB2 PHE 72 2HB PHE 72 -0.373 9.029 -1.995 362 HB3 PHE 72 3HB PHE 72 -0.964 9.227 -3.615 363 H GLU 73 H GLU 73 0.429 10.799 -4.744 364 HA GLU 73 HA GLU 73 2.486 12.478 -3.362 365 HB2 GLU 73 2HB GLU 73 2.400 14.031 -5.161 366 HB3 GLU 73 3HB GLU 73 2.851 12.419 -5.675 367 HG2 GLU 73 2HG GLU 73 0.503 12.078 -6.533 368 HG3 GLU 73 3HG GLU 73 0.083 13.690 -5.982 369 H GLU 74 H GLU 74 -0.479 11.684 -2.686 370 HA GLU 74 HA GLU 74 -1.543 14.380 -1.924 371 HB2 GLU 74 2HB GLU 74 -2.690 13.563 -3.932 372 HB3 GLU 74 3HB GLU 74 -2.942 11.991 -3.194 373 HG2 GLU 74 2HG GLU 74 -4.363 13.189 -1.428 374 HG3 GLU 74 3HG GLU 74 -4.280 14.613 -2.452 375 H ALA 75 H ALA 75 -1.380 14.370 0.356 376 HA ALA 75 HA ALA 75 -1.213 11.990 1.890 377 HB1 ALA 75 1HB ALA 75 -1.518 13.459 3.830 378 HB2 ALA 75 2HB ALA 75 -0.396 14.174 2.657 379 HB3 ALA 75 3HB ALA 75 -2.071 14.776 2.776 380 H GLU 76 H GLU 76 -4.082 13.783 0.876 381 HA GLU 76 HA GLU 76 -6.035 12.412 2.475 382 HB2 GLU 76 2HB GLU 76 -6.323 13.560 -0.309 383 HB3 GLU 76 3HB GLU 76 -7.644 13.179 0.780 384 HG2 GLU 76 2HG GLU 76 -5.545 15.332 1.300 385 HG3 GLU 76 3HG GLU 76 -7.164 15.605 0.674 386 H SER 77 H SER 77 -4.246 11.374 -0.380 387 HA SER 77 HA SER 77 -6.163 9.301 -1.144 388 HG SER 77 HG SER 77 -2.698 10.311 -1.524 389 HB2 SER 77 2HB SER 77 -4.709 8.771 -2.854 390 HB3 SER 77 3HB SER 77 -4.565 10.510 -2.673 391 H ALA 78 H ALA 78 -3.120 9.465 0.631 392 HA ALA 78 HA ALA 78 -3.174 6.677 1.442 393 HB1 ALA 78 1HB ALA 78 -1.633 7.435 3.268 394 HB2 ALA 78 2HB ALA 78 -1.130 7.829 1.620 395 HB3 ALA 78 3HB ALA 78 -1.819 9.103 2.671 396 H ALA 79 H ALA 79 -4.474 9.686 3.007 397 HA ALA 79 HA ALA 79 -5.549 8.580 5.340 398 HB1 ALA 79 1HB ALA 79 -6.857 10.708 3.613 399 HB2 ALA 79 2HB ALA 79 -7.060 10.453 5.355 400 HB3 ALA 79 3HB ALA 79 -5.492 10.997 4.728 401 H LYS 80 H LYS 80 -7.280 8.850 2.172 402 HA LYS 80 HA LYS 80 -9.426 7.199 3.144 403 HB2 LYS 80 2HB LYS 80 -10.292 7.142 0.910 404 HB3 LYS 80 3HB LYS 80 -9.694 8.777 1.259 405 HG2 LYS 80 2HG LYS 80 -7.649 8.228 -0.037 406 HG3 LYS 80 3HG LYS 80 -8.331 6.647 -0.442 407 HD2 LYS 80 2HD LYS 80 -9.645 7.530 -2.059 408 HD3 LYS 80 3HD LYS 80 -10.255 8.816 -1.036 409 HE2 LYS 80 2HE LYS 80 -7.561 8.914 -2.433 410 HE3 LYS 80 3HE LYS 80 -9.046 9.516 -3.155 411 HZ1 LYS 80 3HZ LYS 80 -7.718 11.267 -2.024 412 HZ2 LYS 80 1HZ LYS 80 -9.248 11.152 -1.443 413 HZ3 LYS 80 2HZ LYS 80 -8.001 10.542 -0.571 414 H ALA 81 H ALA 81 -6.493 6.326 1.273 415 HA ALA 81 HA ALA 81 -7.264 3.680 0.823 416 HB1 ALA 81 1HB ALA 81 -4.854 3.157 0.500 417 HB2 ALA 81 2HB ALA 81 -5.285 4.698 -0.222 418 HB3 ALA 81 3HB ALA 81 -4.410 4.658 1.317 419 H ILE 82 H ILE 82 -5.673 5.105 3.697 420 HA ILE 82 HA ILE 82 -5.423 2.825 5.326 421 HB ILE 82 HB ILE 82 -6.027 5.687 6.114 422 HG12 ILE 82 2HG1 ILE 82 -3.377 4.431 6.664 423 HG13 ILE 82 3HG1 ILE 82 -3.687 4.864 4.985 424 HG21 ILE 82 1HG2 ILE 82 -5.184 5.086 8.381 425 HG22 ILE 82 2HG2 ILE 82 -6.684 4.261 7.996 426 HG23 ILE 82 3HG2 ILE 82 -5.141 3.383 7.898 427 HD11 ILE 82 3HD1 ILE 82 -4.231 7.154 5.719 428 HD12 ILE 82 1HD1 ILE 82 -3.864 6.734 7.389 429 HD13 ILE 82 2HD1 ILE 82 -2.576 6.700 6.153 430 H GLU 83 H GLU 83 -8.137 5.234 5.356 431 HA GLU 83 HA GLU 83 -9.725 3.689 7.133 432 HB2 GLU 83 2HB GLU 83 -10.509 5.784 5.104 433 HB3 GLU 83 3HB GLU 83 -11.609 5.128 6.324 434 HG2 GLU 83 2HG GLU 83 -8.993 6.592 6.926 435 HG3 GLU 83 3HG GLU 83 -10.601 7.291 6.982 436 H GLU 84 H GLU 84 -9.429 3.384 3.649 437 HA GLU 84 HA GLU 84 -11.830 1.851 3.137 438 HB2 GLU 84 2HB GLU 84 -9.204 2.211 1.638 439 HB3 GLU 84 3HB GLU 84 -10.512 1.224 1.015 440 HG2 GLU 84 2HG GLU 84 -11.067 4.060 1.784 441 HG3 GLU 84 3HG GLU 84 -10.209 3.754 0.281 442 H VAL 85 H VAL 85 -8.403 0.899 3.644 443 HA VAL 85 HA VAL 85 -9.264 -1.940 3.962 444 HB VAL 85 HB VAL 85 -9.053 -1.290 1.578 445 HG11 VAL 85 1HG1 VAL 85 -7.199 0.181 1.609 446 HG12 VAL 85 2HG1 VAL 85 -6.132 -1.116 2.240 447 HG13 VAL 85 3HG1 VAL 85 -6.789 -1.216 0.594 448 HG21 VAL 85 3HG2 VAL 85 -7.960 -3.332 0.864 449 HG22 VAL 85 1HG2 VAL 85 -7.324 -3.582 2.493 450 HG23 VAL 85 2HG2 VAL 85 -9.070 -3.605 2.216 451 H HIS 86 H HIS 86 -7.347 0.396 5.384 452 HA HIS 86 HA HIS 86 -5.105 -1.315 6.154 453 HD1 HIS 86 HD1 HIS 86 -2.691 1.257 7.240 454 HD2 HIS 86 HD2 HIS 86 -5.394 -0.494 9.926 455 HE1 HIS 86 HE1 HIS 86 -1.344 0.695 9.347 456 HB2 HIS 86 2HB HIS 86 -5.091 1.157 6.363 457 HB3 HIS 86 3HB HIS 86 -6.289 1.053 7.654 458 H GLY 87 H GLY 87 -5.304 -3.069 7.315 459 HA2 GLY 87 2HA GLY 87 -5.455 -4.151 9.429 460 HA3 GLY 87 3HA GLY 87 -6.753 -3.064 9.927 461 H LYS 88 H LYS 88 -7.645 -3.669 6.975 462 HA LYS 88 HA LYS 88 -9.496 -5.900 7.380 463 HB2 LYS 88 2HB LYS 88 -8.809 -3.834 5.278 464 HB3 LYS 88 3HB LYS 88 -9.610 -5.256 4.777 465 HG2 LYS 88 2HG LYS 88 -11.324 -3.627 5.203 466 HG3 LYS 88 3HG LYS 88 -11.415 -4.777 6.528 467 HD2 LYS 88 2HD LYS 88 -11.673 -2.770 7.643 468 HD3 LYS 88 3HD LYS 88 -9.937 -2.994 7.833 469 HE2 LYS 88 2HE LYS 88 -9.607 -1.538 5.803 470 HE3 LYS 88 3HE LYS 88 -11.351 -1.262 5.757 471 HZ1 LYS 88 3HZ LYS 88 -11.077 -0.327 8.060 472 HZ2 LYS 88 1HZ LYS 88 -9.447 -0.444 7.888 473 HZ3 LYS 88 2HZ LYS 88 -10.331 0.545 6.901 474 H SER 89 H SER 89 -9.300 -7.834 6.388 475 HA SER 89 HA SER 89 -6.500 -8.639 5.824 476 HG SER 89 HG SER 89 -8.142 -9.253 8.202 477 HB2 SER 89 2HB SER 89 -8.839 -10.427 6.332 478 HB3 SER 89 3HB SER 89 -7.165 -10.922 6.103 479 H PHE 90 H PHE 90 -5.719 -9.001 3.989 480 HA PHE 90 HA PHE 90 -7.459 -9.819 1.669 481 HD1 PHE 90 HD2 PHE 90 -4.521 -10.032 -0.551 482 HD2 PHE 90 HD1 PHE 90 -7.669 -7.145 0.064 483 HE1 PHE 90 HE2 PHE 90 -5.141 -10.199 -2.954 484 HE2 PHE 90 HE1 PHE 90 -8.270 -7.297 -2.351 485 HZ PHE 90 HZ PHE 90 -7.046 -8.867 -3.831 486 HB2 PHE 90 2HB PHE 90 -6.146 -7.605 1.755 487 HB3 PHE 90 3HB PHE 90 -4.716 -8.583 1.631 488 H ALA 91 H ALA 91 -6.742 -11.576 0.465 489 HA ALA 91 HA ALA 91 -6.077 -13.678 0.109 490 HB1 ALA 91 1HB ALA 91 -4.021 -12.485 -0.483 491 HB2 ALA 91 2HB ALA 91 -3.405 -12.684 1.162 492 HB3 ALA 91 3HB ALA 91 -3.674 -14.111 0.148 493 H ASN 92 H ASN 92 -4.526 -12.972 3.258 494 HA ASN 92 HA ASN 92 -6.048 -15.041 4.662 495 HB2 ASN 92 2HB ASN 92 -4.141 -16.389 5.296 496 HB3 ASN 92 3HB ASN 92 -4.169 -16.298 3.541 497 HD21 ASN 92 2HD2 ASN 92 -2.228 -15.835 6.318 498 HD22 ASN 92 1HD2 ASN 92 -0.886 -15.060 5.504 499 H GLN 93 H GLN 93 -4.512 -11.986 4.764 500 HA GLN 93 HA GLN 93 -4.610 -11.709 7.659 501 HB2 GLN 93 2HB GLN 93 -2.189 -11.447 8.034 502 HB3 GLN 93 3HB GLN 93 -2.603 -13.072 7.551 503 HG2 GLN 93 2HG GLN 93 -1.878 -12.468 5.209 504 HG3 GLN 93 3HG GLN 93 -1.280 -10.931 5.858 505 HE21 GLN 93 1HE2 GLN 93 0.146 -13.349 4.554 506 HE22 GLN 93 2HE2 GLN 93 1.369 -13.744 5.751 507 HA PRO 94 HA PRO 94 -4.986 -7.658 6.415 508 HB2 PRO 94 2HB PRO 94 -4.314 -6.099 8.623 509 HB3 PRO 94 3HB PRO 94 -5.709 -7.214 8.604 510 HG2 PRO 94 2HG PRO 94 -2.890 -7.771 9.602 511 HG3 PRO 94 3HG PRO 94 -4.439 -8.039 10.476 512 HD2 PRO 94 2HD PRO 94 -3.153 -10.011 9.186 513 HD3 PRO 94 3HD PRO 94 -4.934 -9.898 9.083 514 H LEU 95 H LEU 95 -4.563 -5.687 5.978 515 HA LEU 95 HA LEU 95 -1.956 -5.083 4.784 516 HG LEU 95 HG LEU 95 -3.040 -4.718 2.269 517 HB2 LEU 95 2HB LEU 95 -4.894 -4.369 4.583 518 HB3 LEU 95 3HB LEU 95 -3.749 -3.256 3.918 519 HD11 LEU 95 1HD1 LEU 95 -3.251 -6.937 1.990 520 HD12 LEU 95 2HD1 LEU 95 -2.493 -6.638 3.531 521 HD13 LEU 95 3HD1 LEU 95 -4.212 -7.119 3.520 522 HD21 LEU 95 3HD2 LEU 95 -5.912 -5.480 2.632 523 HD22 LEU 95 1HD2 LEU 95 -5.271 -4.073 1.701 524 HD23 LEU 95 2HD2 LEU 95 -4.933 -5.730 1.159 525 H GLU 96 H GLU 96 -0.712 -3.412 5.202 526 HA GLU 96 HA GLU 96 -1.407 -1.573 7.451 527 HB2 GLU 96 2HB GLU 96 0.323 -3.373 7.814 528 HB3 GLU 96 3HB GLU 96 1.383 -2.523 6.715 529 HG2 GLU 96 2HG GLU 96 1.351 -0.527 8.120 530 HG3 GLU 96 3HG GLU 96 0.230 -1.316 9.241 531 H VAL 97 H VAL 97 -2.428 -0.957 5.232 532 HA VAL 97 HA VAL 97 -0.987 0.699 3.357 533 HB VAL 97 HB VAL 97 -3.888 0.612 4.336 534 HG11 VAL 97 1HG1 VAL 97 -4.519 1.800 2.250 535 HG12 VAL 97 2HG1 VAL 97 -3.571 2.838 3.328 536 HG13 VAL 97 3HG1 VAL 97 -2.830 2.091 1.895 537 HG21 VAL 97 3HG2 VAL 97 -2.448 -0.483 1.853 538 HG22 VAL 97 1HG2 VAL 97 -3.335 -1.392 3.095 539 HG23 VAL 97 2HG2 VAL 97 -4.195 -0.386 1.927 540 H VAL 98 H VAL 98 0.142 2.502 4.113 541 HA VAL 98 HA VAL 98 -1.304 4.242 6.046 542 HB VAL 98 HB VAL 98 -0.328 1.976 7.013 543 HG11 VAL 98 1HG1 VAL 98 2.025 2.185 6.513 544 HG12 VAL 98 2HG1 VAL 98 2.138 3.467 7.767 545 HG13 VAL 98 3HG1 VAL 98 1.586 1.861 8.173 546 HG21 VAL 98 3HG2 VAL 98 -0.552 4.554 8.446 547 HG22 VAL 98 1HG2 VAL 98 -1.780 3.303 8.045 548 HG23 VAL 98 2HG2 VAL 98 -0.469 2.926 9.188 549 H TYR 99 H TYR 99 1.415 4.859 7.192 550 HA TYR 99 HA TYR 99 2.435 6.799 5.164 551 HD1 TYR 99 HD1 TYR 99 0.481 7.856 5.391 552 HD2 TYR 99 HD2 TYR 99 1.775 8.842 9.389 553 HE1 TYR 99 HE1 TYR 99 -1.465 9.318 5.633 554 HE2 TYR 99 HE2 TYR 99 -0.215 10.321 9.644 555 HH TYR 99 HH TYR 99 -2.617 10.759 7.017 556 HB2 TYR 99 2HB TYR 99 2.740 6.886 8.200 557 HB3 TYR 99 3HB TYR 99 3.369 8.045 7.042 558 H SER 100 H SER 100 2.894 4.278 4.687 559 HA SER 100 HA SER 100 4.595 2.624 6.006 560 HG SER 100 HG SER 100 2.475 2.537 4.041 561 HB2 SER 100 2HB SER 100 4.409 2.664 3.063 562 HB3 SER 100 3HB SER 100 5.130 1.488 4.125 563 H LYS 101 H LYS 101 6.894 2.182 6.103 564 HA LYS 101 HA LYS 101 8.605 4.345 4.989 565 HB2 LYS 101 2HB LYS 101 7.803 4.764 7.371 566 HB3 LYS 101 3HB LYS 101 8.812 3.414 7.871 567 HG2 LYS 101 2HG LYS 101 9.934 5.533 8.264 568 HG3 LYS 101 3HG LYS 101 10.829 4.623 7.051 569 HD2 LYS 101 2HD LYS 101 9.872 6.057 5.252 570 HD3 LYS 101 3HD LYS 101 8.866 6.886 6.452 571 HE2 LYS 101 2HE LYS 101 10.940 7.647 7.612 572 HE3 LYS 101 3HE LYS 101 11.915 6.835 6.376 573 HZ1 LYS 101 3HZ LYS 101 11.006 8.320 4.712 574 HZ2 LYS 101 1HZ LYS 101 9.995 9.035 5.818 575 HZ3 LYS 101 2HZ LYS 101 11.615 9.217 5.924 576 H LEU 102 H LEU 102 10.529 4.116 4.641 577 HA LEU 102 HA LEU 102 12.262 1.823 5.014 578 HG LEU 102 HG LEU 102 13.432 0.789 3.037 579 HB2 LEU 102 2HB LEU 102 10.825 1.381 2.997 580 HB3 LEU 102 3HB LEU 102 11.378 2.864 2.260 581 HD11 LEU 102 1HD1 LEU 102 11.682 -0.561 2.004 582 HD12 LEU 102 2HD1 LEU 102 11.615 0.547 0.616 583 HD13 LEU 102 3HD1 LEU 102 13.078 -0.419 0.922 584 HD21 LEU 102 3HD2 LEU 102 13.105 2.499 0.523 585 HD22 LEU 102 1HD2 LEU 102 14.071 2.994 1.920 586 HD23 LEU 102 2HD2 LEU 102 14.535 1.557 0.996 587 HA PRO 103 HA PRO 103 14.952 5.197 5.789 588 HB2 PRO 103 2HB PRO 103 16.936 4.120 3.774 589 HB3 PRO 103 3HB PRO 103 17.247 4.749 5.426 590 HG2 PRO 103 2HG PRO 103 17.048 2.097 5.072 591 HG3 PRO 103 3HG PRO 103 16.154 2.857 6.432 592 HD2 PRO 103 2HD PRO 103 15.130 2.023 3.723 593 HD3 PRO 103 3HD PRO 103 14.389 1.766 5.332 594 H ALA 104 H ALA 104 13.385 5.692 3.046 595 HA ALA 104 HA ALA 104 14.313 8.430 2.801 596 HB1 ALA 104 1HB ALA 104 15.790 7.358 1.148 597 HB2 ALA 104 2HB ALA 104 14.385 6.623 0.342 598 HB3 ALA 104 3HB ALA 104 14.595 8.387 0.344 Start of MODEL 15 1 H GLU 28 H GLU 28 4.641 13.901 7.299 2 HA GLU 28 HA GLU 28 6.861 14.115 8.268 3 HB2 GLU 28 2HB GLU 28 5.822 12.322 10.487 4 HB3 GLU 28 3HB GLU 28 7.406 13.078 10.346 5 HG2 GLU 28 2HG GLU 28 4.761 14.384 11.045 6 HG3 GLU 28 3HG GLU 28 6.203 14.243 12.044 7 H LEU 29 H LEU 29 8.319 12.012 8.632 8 HA LEU 29 HA LEU 29 9.075 9.963 8.032 9 HG LEU 29 HG LEU 29 6.565 7.129 8.495 10 HB2 LEU 29 2HB LEU 29 6.895 9.422 9.252 11 HB3 LEU 29 3HB LEU 29 6.174 9.181 7.685 12 HD11 LEU 29 1HD1 LEU 29 7.546 7.454 6.109 13 HD12 LEU 29 2HD1 LEU 29 9.109 7.168 6.882 14 HD13 LEU 29 3HD1 LEU 29 7.802 5.951 6.962 15 HD21 LEU 29 3HD2 LEU 29 8.616 6.262 9.496 16 HD22 LEU 29 1HD2 LEU 29 9.445 7.809 9.190 17 HD23 LEU 29 2HD2 LEU 29 8.089 7.721 10.339 18 H SER 30 H SER 30 6.337 10.459 5.924 19 HA SER 30 HA SER 30 7.712 10.985 3.496 20 HG SER 30 HG SER 30 8.906 8.783 4.154 21 HB2 SER 30 2HB SER 30 6.536 8.146 3.635 22 HB3 SER 30 3HB SER 30 6.959 9.038 2.166 23 H ASN 31 H ASN 31 4.841 10.297 5.307 24 HA ASN 31 HA ASN 31 2.705 10.921 5.164 25 HB2 ASN 31 2HB ASN 31 3.045 12.675 2.788 26 HB3 ASN 31 3HB ASN 31 1.999 12.858 4.161 27 HD21 ASN 31 1HD2 ASN 31 5.001 13.684 2.737 28 HD22 ASN 31 2HD2 ASN 31 5.510 14.756 4.035 29 H THR 32 H THR 32 4.047 9.801 2.076 30 HA THR 32 HA THR 32 1.344 8.848 1.260 31 HB THR 32 HB THR 32 1.792 9.658 -0.978 32 HG1 THR 32 1HG THR 32 3.650 10.417 -1.562 33 HG21 THR 32 1HG2 THR 32 2.490 11.975 0.805 34 HG22 THR 32 2HG2 THR 32 1.603 11.970 -0.724 35 HG23 THR 32 3HG2 THR 32 0.850 11.268 0.719 36 H ARG 33 H ARG 33 2.847 6.793 2.332 37 HA ARG 33 HA ARG 33 3.296 5.227 -0.141 38 HE ARG 33 HE ARG 33 7.193 7.653 -1.509 39 HB2 ARG 33 2HB ARG 33 5.375 5.310 2.010 40 HB3 ARG 33 3HB ARG 33 5.210 4.066 0.818 41 HG2 ARG 33 2HG ARG 33 6.847 5.083 -0.130 42 HG3 ARG 33 3HG ARG 33 5.501 5.871 -0.949 43 HD2 ARG 33 2HD ARG 33 5.781 7.821 0.606 44 HD3 ARG 33 3HD ARG 33 7.111 6.937 1.400 45 HH11 ARG 33 1HH2 ARG 33 8.970 7.933 1.549 46 HH12 ARG 33 2HH2 ARG 33 10.425 8.300 0.669 47 HH21 ARG 33 2HH1 ARG 33 8.924 8.136 -2.410 48 HH22 ARG 33 1HH1 ARG 33 10.414 8.503 -1.529 49 H LEU 34 H LEU 34 2.293 3.482 -0.157 50 HA LEU 34 HA LEU 34 1.137 2.469 2.330 51 HG LEU 34 HG LEU 34 -1.676 3.364 0.058 52 HB2 LEU 34 2HB LEU 34 0.255 1.688 -0.370 53 HB3 LEU 34 3HB LEU 34 -0.636 1.617 1.090 54 HD11 LEU 34 1HD1 LEU 34 -0.784 4.238 2.278 55 HD12 LEU 34 2HD1 LEU 34 0.409 5.151 1.343 56 HD13 LEU 34 3HD1 LEU 34 -1.304 5.433 1.095 57 HD21 LEU 34 3HD2 LEU 34 -0.293 5.247 -1.135 58 HD22 LEU 34 1HD2 LEU 34 0.930 4.008 -1.243 59 HD23 LEU 34 2HD2 LEU 34 -0.659 3.714 -1.933 60 H PHE 35 H PHE 35 2.080 0.877 3.308 61 HA PHE 35 HA PHE 35 3.979 -0.882 1.890 62 HD1 PHE 35 HD2 PHE 35 5.348 -2.600 2.651 63 HD2 PHE 35 HD1 PHE 35 5.238 -0.580 6.459 64 HE1 PHE 35 HE2 PHE 35 6.722 -4.399 3.642 65 HE2 PHE 35 HE1 PHE 35 6.603 -2.399 7.453 66 HZ PHE 35 HZ PHE 35 7.351 -4.311 6.045 67 HB2 PHE 35 2HB PHE 35 5.041 0.332 3.467 68 HB3 PHE 35 3HB PHE 35 3.954 0.362 4.631 69 H VAL 36 H VAL 36 2.902 -2.352 1.106 70 HA VAL 36 HA VAL 36 0.637 -3.688 2.524 71 HB VAL 36 HB VAL 36 1.061 -2.440 -0.187 72 HG11 VAL 36 1HG1 VAL 36 -0.114 -4.038 -1.011 73 HG12 VAL 36 2HG1 VAL 36 -1.022 -4.380 0.524 74 HG13 VAL 36 3HG1 VAL 36 -1.407 -2.974 -0.507 75 HG21 VAL 36 3HG2 VAL 36 -0.778 -0.985 0.535 76 HG22 VAL 36 1HG2 VAL 36 -1.264 -2.153 1.796 77 HG23 VAL 36 2HG2 VAL 36 0.175 -1.137 1.979 78 H ARG 37 H ARG 37 1.705 -5.289 3.203 79 HA ARG 37 HA ARG 37 3.314 -7.104 1.446 80 HE ARG 37 HE ARG 37 4.546 -4.851 7.457 81 HB2 ARG 37 2HB ARG 37 4.748 -7.322 3.489 82 HB3 ARG 37 3HB ARG 37 4.668 -5.710 2.837 83 HG2 ARG 37 2HG ARG 37 3.605 -4.803 4.626 84 HG3 ARG 37 3HG ARG 37 2.569 -6.205 4.869 85 HD2 ARG 37 2HD ARG 37 4.315 -7.394 6.040 86 HD3 ARG 37 3HD ARG 37 5.466 -6.093 5.739 87 HH11 ARG 37 2HH2 ARG 37 2.162 -7.431 6.963 88 HH12 ARG 37 1HH2 ARG 37 0.927 -6.484 7.761 89 HH21 ARG 37 2HH1 ARG 37 3.028 -3.971 8.771 90 HH22 ARG 37 1HH1 ARG 37 1.510 -4.816 9.016 91 HA PRO 38 HA PRO 38 0.757 -9.831 4.468 92 HB2 PRO 38 2HB PRO 38 -1.802 -10.125 3.587 93 HB3 PRO 38 3HB PRO 38 -1.357 -8.741 4.633 94 HG2 PRO 38 2HG PRO 38 -1.552 -8.750 1.637 95 HG3 PRO 38 3HG PRO 38 -2.295 -7.624 2.781 96 HD2 PRO 38 2HD PRO 38 0.036 -7.005 1.601 97 HD3 PRO 38 3HD PRO 38 -0.213 -6.618 3.329 98 H PHE 39 H PHE 39 0.428 -9.482 1.020 99 HA PHE 39 HA PHE 39 -0.375 -12.159 0.428 100 HD1 PHE 39 HD2 PHE 39 1.278 -8.259 -0.845 101 HD2 PHE 39 HD1 PHE 39 -2.734 -9.926 -0.789 102 HE1 PHE 39 HE2 PHE 39 0.330 -6.046 -1.002 103 HE2 PHE 39 HE1 PHE 39 -3.660 -7.634 -0.860 104 HZ PHE 39 HZ PHE 39 -2.156 -5.688 -1.033 105 HB2 PHE 39 2HB PHE 39 0.782 -10.574 -1.772 106 HB3 PHE 39 3HB PHE 39 -0.800 -11.302 -1.624 107 HA PRO 40 HA PRO 40 3.741 -13.627 -0.761 108 HB2 PRO 40 2HB PRO 40 3.103 -15.897 -2.207 109 HB3 PRO 40 3HB PRO 40 2.820 -15.796 -0.460 110 HG2 PRO 40 2HG PRO 40 0.842 -15.261 -2.690 111 HG3 PRO 40 3HG PRO 40 0.617 -16.320 -1.261 112 HD2 PRO 40 2HD PRO 40 -0.280 -13.717 -1.398 113 HD3 PRO 40 3HD PRO 40 0.246 -14.477 0.132 114 H LEU 41 H LEU 41 4.266 -14.788 -3.320 115 HA LEU 41 HA LEU 41 4.689 -12.624 -5.065 116 HG LEU 41 HG LEU 41 6.832 -15.608 -5.943 117 HB2 LEU 41 2HB LEU 41 4.305 -15.564 -5.782 118 HB3 LEU 41 3HB LEU 41 5.103 -14.346 -6.759 119 HD11 LEU 41 1HD1 LEU 41 6.688 -13.356 -3.910 120 HD12 LEU 41 2HD1 LEU 41 8.147 -14.201 -4.472 121 HD13 LEU 41 3HD1 LEU 41 7.231 -13.187 -5.601 122 HD21 LEU 41 3HD2 LEU 41 5.520 -16.828 -4.163 123 HD22 LEU 41 1HD2 LEU 41 7.203 -16.452 -3.776 124 HD23 LEU 41 2HD2 LEU 41 5.915 -15.490 -3.052 125 H ASP 42 H ASP 42 1.796 -14.463 -4.600 126 HA ASP 42 HA ASP 42 0.436 -13.942 -7.050 127 HB2 ASP 42 2HB ASP 42 -0.642 -14.767 -4.334 128 HB3 ASP 42 3HB ASP 42 -1.495 -14.860 -5.865 129 H VAL 43 H VAL 43 1.421 -11.433 -5.860 130 HA VAL 43 HA VAL 43 -1.102 -9.958 -6.234 131 HB VAL 43 HB VAL 43 -0.426 -9.832 -3.823 132 HG11 VAL 43 1HG1 VAL 43 1.812 -8.019 -4.834 133 HG12 VAL 43 2HG1 VAL 43 1.378 -8.318 -3.164 134 HG13 VAL 43 3HG1 VAL 43 2.034 -9.639 -4.125 135 HG21 VAL 43 3HG2 VAL 43 -1.952 -8.193 -4.846 136 HG22 VAL 43 1HG2 VAL 43 -0.919 -7.408 -3.656 137 HG23 VAL 43 2HG2 VAL 43 -0.590 -7.192 -5.375 138 H GLN 44 H GLN 44 -1.027 -8.152 -7.457 139 HA GLN 44 HA GLN 44 1.445 -7.448 -8.905 140 HB2 GLN 44 2HB GLN 44 -1.001 -8.616 -10.335 141 HB3 GLN 44 3HB GLN 44 0.460 -8.031 -11.104 142 HG2 GLN 44 2HG GLN 44 0.210 -10.536 -9.396 143 HG3 GLN 44 3HG GLN 44 0.359 -10.466 -11.139 144 HE21 GLN 44 2HE2 GLN 44 2.150 -11.563 -8.799 145 HE22 GLN 44 1HE2 GLN 44 3.680 -10.838 -9.105 146 H GLU 45 H GLU 45 0.891 -5.777 -10.621 147 HA GLU 45 HA GLU 45 -0.429 -3.595 -9.434 148 HB2 GLU 45 2HB GLU 45 1.061 -4.107 -11.815 149 HB3 GLU 45 3HB GLU 45 -0.458 -3.415 -12.372 150 HG2 GLU 45 2HG GLU 45 1.307 -2.189 -10.201 151 HG3 GLU 45 3HG GLU 45 1.408 -1.780 -11.913 152 H SER 46 H SER 46 -1.925 -6.152 -11.475 153 HA SER 46 HA SER 46 -4.417 -4.768 -11.837 154 HG SER 46 HG SER 46 -3.718 -8.420 -11.143 155 HB2 SER 46 2HB SER 46 -5.287 -7.193 -12.096 156 HB3 SER 46 3HB SER 46 -4.106 -6.574 -13.256 157 H GLU 47 H GLU 47 -3.137 -6.491 -8.952 158 HA GLU 47 HA GLU 47 -5.791 -6.890 -7.740 159 HB2 GLU 47 2HB GLU 47 -2.851 -7.495 -7.134 160 HB3 GLU 47 3HB GLU 47 -4.020 -7.519 -5.875 161 HG2 GLU 47 2HG GLU 47 -3.905 -9.713 -6.563 162 HG3 GLU 47 3HG GLU 47 -5.372 -9.174 -7.381 163 H LEU 48 H LEU 48 -2.806 -4.987 -7.506 164 HA LEU 48 HA LEU 48 -3.659 -3.277 -5.359 165 HG LEU 48 HG LEU 48 -1.524 -4.909 -5.548 166 HB2 LEU 48 2HB LEU 48 -1.560 -2.941 -7.523 167 HB3 LEU 48 3HB LEU 48 -1.721 -1.969 -6.176 168 HD11 LEU 48 1HD1 LEU 48 1.063 -3.529 -6.124 169 HD12 LEU 48 2HD1 LEU 48 0.708 -5.248 -5.955 170 HD13 LEU 48 3HD1 LEU 48 0.226 -4.385 -7.423 171 HD21 LEU 48 3HD2 LEU 48 0.013 -4.091 -3.886 172 HD22 LEU 48 1HD2 LEU 48 -0.133 -2.412 -4.558 173 HD23 LEU 48 2HD2 LEU 48 -1.542 -3.259 -3.817 174 H ASN 49 H ASN 49 -4.040 -3.177 -8.918 175 HA ASN 49 HA ASN 49 -5.430 -0.632 -8.969 176 HB2 ASN 49 2HB ASN 49 -5.280 -2.950 -10.876 177 HB3 ASN 49 3HB ASN 49 -6.674 -1.900 -11.019 178 HD21 ASN 49 2HD2 ASN 49 -3.122 -1.721 -10.785 179 HD22 ASN 49 1HD2 ASN 49 -2.964 -0.382 -11.896 180 H GLU 50 H GLU 50 -6.746 -3.968 -8.527 181 HA GLU 50 HA GLU 50 -9.482 -3.211 -8.217 182 HB2 GLU 50 2HB GLU 50 -7.797 -5.480 -7.202 183 HB3 GLU 50 3HB GLU 50 -9.463 -5.307 -6.652 184 HG2 GLU 50 2HG GLU 50 -10.222 -5.316 -9.025 185 HG3 GLU 50 3HG GLU 50 -8.558 -5.559 -9.553 186 H ILE 51 H ILE 51 -6.861 -3.221 -5.814 187 HA ILE 51 HA ILE 51 -8.702 -2.564 -3.614 188 HB ILE 51 HB ILE 51 -5.756 -3.059 -3.882 189 HG12 ILE 51 2HG1 ILE 51 -7.861 -4.769 -2.485 190 HG13 ILE 51 3HG1 ILE 51 -7.401 -4.989 -4.171 191 HG21 ILE 51 1HG2 ILE 51 -7.327 -2.615 -1.304 192 HG22 ILE 51 2HG2 ILE 51 -5.641 -3.174 -1.376 193 HG23 ILE 51 3HG2 ILE 51 -6.042 -1.559 -1.928 194 HD11 ILE 51 3HD1 ILE 51 -5.607 -5.394 -1.755 195 HD12 ILE 51 1HD1 ILE 51 -6.165 -6.589 -2.934 196 HD13 ILE 51 2HD1 ILE 51 -5.007 -5.344 -3.431 197 H PHE 52 H PHE 52 -6.217 -0.802 -5.469 198 HA PHE 52 HA PHE 52 -6.465 1.567 -3.729 199 HD1 PHE 52 HD1 PHE 52 -4.445 -1.354 -4.211 200 HD2 PHE 52 HD2 PHE 52 -3.327 2.579 -2.863 201 HE1 PHE 52 HE1 PHE 52 -2.937 -2.365 -2.562 202 HE2 PHE 52 HE2 PHE 52 -1.683 1.551 -1.341 203 HZ PHE 52 HZ PHE 52 -1.322 -0.914 -1.408 204 HB2 PHE 52 2HB PHE 52 -4.433 0.833 -5.769 205 HB3 PHE 52 3HB PHE 52 -4.466 2.353 -4.916 206 H GLY 53 H GLY 53 -7.342 0.513 -6.946 207 HA2 GLY 53 2HA GLY 53 -7.661 2.898 -8.387 208 HA3 GLY 53 3HA GLY 53 -8.702 1.475 -8.496 209 HA PRO 54 HA PRO 54 -11.863 3.647 -6.043 210 HB2 PRO 54 2HB PRO 54 -11.066 2.772 -3.274 211 HB3 PRO 54 3HB PRO 54 -12.666 2.676 -4.065 212 HG2 PRO 54 2HG PRO 54 -11.147 0.451 -3.753 213 HG3 PRO 54 3HG PRO 54 -12.004 0.732 -5.309 214 HD2 PRO 54 2HD PRO 54 -9.156 1.450 -4.586 215 HD3 PRO 54 3HD PRO 54 -9.678 0.455 -5.966 216 H PHE 55 H PHE 55 -8.587 4.007 -4.722 217 HA PHE 55 HA PHE 55 -9.231 6.416 -3.201 218 HD1 PHE 55 HD1 PHE 55 -9.389 4.507 -1.882 219 HD2 PHE 55 HD2 PHE 55 -5.240 3.801 -2.785 220 HE1 PHE 55 HE1 PHE 55 -9.489 2.359 -0.650 221 HE2 PHE 55 HE2 PHE 55 -5.281 1.784 -1.270 222 HZ PHE 55 HZ PHE 55 -7.436 1.045 -0.286 223 HB2 PHE 55 2HB PHE 55 -6.452 5.417 -3.920 224 HB3 PHE 55 3HB PHE 55 -6.919 6.426 -2.599 225 H GLY 56 H GLY 56 -7.331 5.569 -6.047 226 HA2 GLY 56 2HA GLY 56 -7.691 6.732 -8.056 227 HA3 GLY 56 3HA GLY 56 -7.786 8.263 -7.182 228 HA PRO 57 HA PRO 57 -3.662 9.179 -8.184 229 HB2 PRO 57 2HB PRO 57 -2.987 9.828 -5.310 230 HB3 PRO 57 3HB PRO 57 -2.772 10.828 -6.784 231 HG2 PRO 57 2HG PRO 57 -4.837 11.319 -5.168 232 HG3 PRO 57 3HG PRO 57 -5.144 11.214 -6.926 233 HD2 PRO 57 2HD PRO 57 -5.493 8.994 -4.861 234 HD3 PRO 57 3HD PRO 57 -6.680 9.621 -6.025 235 H MET 58 H MET 58 -3.703 6.297 -7.520 236 HA MET 58 HA MET 58 -1.196 5.374 -6.362 237 HB2 MET 58 2HB MET 58 -1.613 3.338 -7.537 238 HB3 MET 58 3HB MET 58 -2.867 3.820 -6.385 239 HG2 MET 58 2HG MET 58 -4.269 4.636 -8.236 240 HG3 MET 58 3HG MET 58 -3.063 4.070 -9.399 241 HE1 MET 58 3HE MET 58 -2.703 1.361 -6.971 242 HE2 MET 58 1HE MET 58 -3.347 0.124 -8.066 243 HE3 MET 58 2HE MET 58 -2.157 1.298 -8.671 244 H LYS 59 H LYS 59 -0.076 7.116 -7.183 245 HA LYS 59 HA LYS 59 0.980 7.424 -9.770 246 HB2 LYS 59 2HB LYS 59 0.936 9.251 -8.388 247 HB3 LYS 59 3HB LYS 59 1.482 8.354 -7.003 248 HG2 LYS 59 2HG LYS 59 3.325 9.237 -9.210 249 HG3 LYS 59 3HG LYS 59 3.006 10.048 -7.682 250 HD2 LYS 59 2HD LYS 59 3.635 7.603 -6.683 251 HD3 LYS 59 3HD LYS 59 4.553 7.572 -8.195 252 HE2 LYS 59 2HE LYS 59 5.073 10.070 -7.268 253 HE3 LYS 59 3HE LYS 59 4.822 9.176 -5.737 254 HZ1 LYS 59 3HZ LYS 59 6.626 7.686 -6.344 255 HZ2 LYS 59 1HZ LYS 59 6.734 8.234 -7.849 256 HZ3 LYS 59 2HZ LYS 59 7.214 9.184 -6.601 257 H GLU 60 H GLU 60 2.156 5.378 -7.065 258 HA GLU 60 HA GLU 60 3.640 3.819 -9.013 259 HB2 GLU 60 2HB GLU 60 5.105 5.663 -7.199 260 HB3 GLU 60 3HB GLU 60 5.556 3.987 -6.960 261 HG2 GLU 60 2HG GLU 60 6.119 3.724 -9.311 262 HG3 GLU 60 3HG GLU 60 5.564 5.361 -9.676 263 H VAL 61 H VAL 61 4.416 1.921 -8.316 264 HA VAL 61 HA VAL 61 3.063 0.721 -5.993 265 HB VAL 61 HB VAL 61 2.498 -0.375 -8.799 266 HG11 VAL 61 1HG1 VAL 61 0.652 -0.461 -6.412 267 HG12 VAL 61 2HG1 VAL 61 0.751 -1.539 -7.781 268 HG13 VAL 61 3HG1 VAL 61 2.041 -1.566 -6.552 269 HG21 VAL 61 3HG2 VAL 61 0.281 0.710 -8.861 270 HG22 VAL 61 1HG2 VAL 61 0.758 1.781 -7.564 271 HG23 VAL 61 2HG2 VAL 61 1.608 1.826 -9.118 272 H LYS 62 H LYS 62 5.282 0.619 -5.463 273 HA LYS 62 HA LYS 62 7.203 -0.759 -7.165 274 HB2 LYS 62 2HB LYS 62 7.402 -0.117 -4.197 275 HB3 LYS 62 3HB LYS 62 8.719 -0.434 -5.317 276 HG2 LYS 62 2HG LYS 62 7.904 1.694 -6.595 277 HG3 LYS 62 3HG LYS 62 6.833 1.973 -5.217 278 HD2 LYS 62 2HD LYS 62 8.591 3.274 -4.541 279 HD3 LYS 62 3HD LYS 62 9.042 1.748 -3.787 280 HE2 LYS 62 2HE LYS 62 11.039 2.324 -4.836 281 HE3 LYS 62 3HE LYS 62 10.297 1.273 -6.052 282 HZ1 LYS 62 3HZ LYS 62 9.442 3.421 -7.108 283 HZ2 LYS 62 1HZ LYS 62 10.311 4.256 -6.028 284 HZ3 LYS 62 2HZ LYS 62 11.076 3.302 -7.101 285 H ILE 63 H ILE 63 7.017 -2.910 -7.505 286 HA ILE 63 HA ILE 63 5.840 -4.638 -5.370 287 HB ILE 63 HB ILE 63 5.444 -4.697 -8.368 288 HG12 ILE 63 2HG1 ILE 63 3.300 -4.625 -6.208 289 HG13 ILE 63 3HG1 ILE 63 4.090 -3.146 -6.684 290 HG21 ILE 63 1HG2 ILE 63 4.529 -6.746 -6.287 291 HG22 ILE 63 2HG2 ILE 63 3.926 -6.664 -7.956 292 HG23 ILE 63 3HG2 ILE 63 5.618 -7.040 -7.657 293 HD11 ILE 63 3HD1 ILE 63 2.120 -3.267 -7.983 294 HD12 ILE 63 1HD1 ILE 63 3.442 -3.608 -9.090 295 HD13 ILE 63 2HD1 ILE 63 2.421 -4.936 -8.462 296 H LEU 64 H LEU 64 6.867 -6.118 -4.583 297 HA LEU 64 HA LEU 64 9.267 -7.402 -5.795 298 HG LEU 64 HG LEU 64 10.873 -5.428 -5.015 299 HB2 LEU 64 2HB LEU 64 8.797 -6.291 -2.990 300 HB3 LEU 64 3HB LEU 64 10.194 -7.225 -3.480 301 HD11 LEU 64 1HD1 LEU 64 9.898 -3.049 -4.218 302 HD12 LEU 64 2HD1 LEU 64 9.355 -3.898 -5.647 303 HD13 LEU 64 3HD1 LEU 64 8.412 -4.021 -4.145 304 HD21 LEU 64 3HD2 LEU 64 11.918 -5.661 -2.955 305 HD22 LEU 64 1HD2 LEU 64 11.601 -3.927 -3.142 306 HD23 LEU 64 2HD2 LEU 64 10.570 -4.932 -2.082 307 H ASN 65 H ASN 65 9.863 -9.170 -4.070 308 HA ASN 65 HA ASN 65 8.359 -11.411 -4.531 309 HB2 ASN 65 2HB ASN 65 10.277 -10.926 -2.280 310 HB3 ASN 65 3HB ASN 65 9.992 -12.495 -3.038 311 HD21 ASN 65 1HD2 ASN 65 12.193 -9.967 -3.019 312 HD22 ASN 65 2HD2 ASN 65 12.887 -10.257 -4.607 313 H GLY 66 H GLY 66 6.262 -10.118 -3.434 314 HA2 GLY 66 2HA GLY 66 4.547 -10.961 -2.014 315 HA3 GLY 66 3HA GLY 66 5.681 -11.375 -0.760 316 H PHE 67 H PHE 67 6.272 -8.353 -2.424 317 HA PHE 67 HA PHE 67 4.823 -6.828 -0.288 318 HD1 PHE 67 HD2 PHE 67 8.703 -8.251 -1.181 319 HD2 PHE 67 HD1 PHE 67 6.731 -6.684 2.304 320 HE1 PHE 67 HE2 PHE 67 9.778 -10.007 0.206 321 HE2 PHE 67 HE1 PHE 67 7.826 -8.411 3.706 322 HZ PHE 67 HZ PHE 67 9.348 -10.084 2.658 323 HB2 PHE 67 2HB PHE 67 7.581 -6.036 -1.192 324 HB3 PHE 67 3HB PHE 67 6.671 -5.474 0.185 325 H ALA 68 H ALA 68 3.998 -4.971 -0.806 326 HA ALA 68 HA ALA 68 4.543 -3.625 -3.433 327 HB1 ALA 68 1HB ALA 68 1.854 -3.956 -2.112 328 HB2 ALA 68 2HB ALA 68 2.228 -3.005 -3.558 329 HB3 ALA 68 3HB ALA 68 2.392 -4.775 -3.596 330 H PHE 69 H PHE 69 5.228 -1.685 -3.147 331 HA PHE 69 HA PHE 69 4.441 -0.209 -0.705 332 HD1 PHE 69 HD1 PHE 69 7.647 -1.867 -2.763 333 HD2 PHE 69 HD2 PHE 69 7.118 -0.791 1.367 334 HE1 PHE 69 HE1 PHE 69 8.755 -3.935 -2.061 335 HE2 PHE 69 HE2 PHE 69 8.410 -2.803 2.042 336 HZ PHE 69 HZ PHE 69 9.287 -4.383 0.241 337 HB2 PHE 69 2HB PHE 69 7.030 0.458 -2.078 338 HB3 PHE 69 3HB PHE 69 6.527 0.805 -0.433 339 H VAL 70 H VAL 70 2.679 0.462 -1.704 340 HA VAL 70 HA VAL 70 2.757 1.812 -4.311 341 HB VAL 70 HB VAL 70 0.397 1.813 -2.443 342 HG11 VAL 70 1HG1 VAL 70 -0.884 1.668 -4.504 343 HG12 VAL 70 2HG1 VAL 70 0.230 3.062 -4.664 344 HG13 VAL 70 3HG1 VAL 70 0.596 1.472 -5.430 345 HG21 VAL 70 3HG2 VAL 70 1.381 -0.291 -4.356 346 HG22 VAL 70 1HG2 VAL 70 0.960 -0.532 -2.609 347 HG23 VAL 70 2HG2 VAL 70 -0.319 -0.219 -3.812 348 H GLU 71 H GLU 71 2.208 4.052 -4.570 349 HA GLU 71 HA GLU 71 3.113 5.827 -2.336 350 HB2 GLU 71 2HB GLU 71 5.099 4.824 -3.615 351 HB3 GLU 71 3HB GLU 71 4.442 5.530 -5.076 352 HG2 GLU 71 2HG GLU 71 4.666 7.777 -4.219 353 HG3 GLU 71 3HG GLU 71 5.074 7.194 -2.616 354 H PHE 72 H PHE 72 2.378 7.862 -2.591 355 HA PHE 72 HA PHE 72 1.008 8.569 -5.135 356 HD1 PHE 72 HD1 PHE 72 -0.570 6.714 -4.953 357 HD2 PHE 72 HD2 PHE 72 -1.526 8.407 -1.164 358 HE1 PHE 72 HE1 PHE 72 -2.048 4.758 -4.454 359 HE2 PHE 72 HE2 PHE 72 -3.010 6.496 -0.666 360 HZ PHE 72 HZ PHE 72 -3.309 4.694 -2.319 361 HB2 PHE 72 2HB PHE 72 -0.003 9.514 -2.464 362 HB3 PHE 72 3HB PHE 72 -0.758 9.588 -4.012 363 H GLU 73 H GLU 73 0.699 10.915 -5.443 364 HA GLU 73 HA GLU 73 3.173 12.361 -4.610 365 HB2 GLU 73 2HB GLU 73 2.866 13.755 -6.583 366 HB3 GLU 73 3HB GLU 73 3.089 12.059 -6.942 367 HG2 GLU 73 2HG GLU 73 0.600 11.825 -7.268 368 HG3 GLU 73 3HG GLU 73 0.430 13.556 -6.966 369 H GLU 74 H GLU 74 0.226 12.137 -3.396 370 HA GLU 74 HA GLU 74 -0.136 15.008 -2.685 371 HB2 GLU 74 2HB GLU 74 -1.275 14.379 -4.864 372 HB3 GLU 74 3HB GLU 74 -2.234 13.200 -3.990 373 HG2 GLU 74 2HG GLU 74 -2.188 16.206 -3.444 374 HG3 GLU 74 3HG GLU 74 -3.347 15.403 -4.505 375 H ALA 75 H ALA 75 -1.044 15.259 -0.567 376 HA ALA 75 HA ALA 75 -0.723 12.882 1.044 377 HB1 ALA 75 1HB ALA 75 -1.453 15.715 1.825 378 HB2 ALA 75 2HB ALA 75 -0.937 14.410 2.922 379 HB3 ALA 75 3HB ALA 75 0.191 15.025 1.701 380 H GLU 76 H GLU 76 -3.722 14.533 -0.018 381 HA GLU 76 HA GLU 76 -5.417 13.283 1.992 382 HB2 GLU 76 2HB GLU 76 -6.109 14.227 -0.808 383 HB3 GLU 76 3HB GLU 76 -7.267 13.792 0.427 384 HG2 GLU 76 2HG GLU 76 -5.274 16.042 0.900 385 HG3 GLU 76 3HG GLU 76 -6.835 16.296 0.117 386 H SER 77 H SER 77 -4.213 12.280 -1.220 387 HA SER 77 HA SER 77 -5.796 9.983 -1.596 388 HG SER 77 HG SER 77 -2.260 11.129 -2.027 389 HB2 SER 77 2HB SER 77 -4.221 9.429 -3.202 390 HB3 SER 77 3HB SER 77 -4.133 11.186 -3.125 391 H ALA 78 H ALA 78 -2.761 10.395 0.196 392 HA ALA 78 HA ALA 78 -2.603 7.637 1.065 393 HB1 ALA 78 1HB ALA 78 -0.680 9.168 0.837 394 HB2 ALA 78 2HB ALA 78 -1.263 10.086 2.245 395 HB3 ALA 78 3HB ALA 78 -0.777 8.376 2.422 396 H ALA 79 H ALA 79 -3.744 10.653 2.704 397 HA ALA 79 HA ALA 79 -4.583 9.549 5.142 398 HB1 ALA 79 1HB ALA 79 -4.543 11.963 4.579 399 HB2 ALA 79 2HB ALA 79 -5.973 11.727 3.548 400 HB3 ALA 79 3HB ALA 79 -6.083 11.445 5.291 401 H LYS 80 H LYS 80 -6.525 9.688 2.057 402 HA LYS 80 HA LYS 80 -8.615 8.165 3.304 403 HB2 LYS 80 2HB LYS 80 -9.698 8.071 1.194 404 HB3 LYS 80 3HB LYS 80 -8.947 9.673 1.290 405 HG2 LYS 80 2HG LYS 80 -7.128 8.888 -0.158 406 HG3 LYS 80 3HG LYS 80 -7.840 7.264 -0.216 407 HD2 LYS 80 2HD LYS 80 -8.487 8.119 -2.178 408 HD3 LYS 80 3HD LYS 80 -9.925 8.441 -1.201 409 HE2 LYS 80 2HE LYS 80 -9.181 10.828 -1.032 410 HE3 LYS 80 3HE LYS 80 -7.718 10.424 -1.949 411 HZ1 LYS 80 3HZ LYS 80 -9.375 11.331 -3.435 412 HZ2 LYS 80 1HZ LYS 80 -9.140 9.753 -3.816 413 HZ3 LYS 80 2HZ LYS 80 -10.482 10.211 -2.999 414 H ALA 81 H ALA 81 -5.863 7.120 1.260 415 HA ALA 81 HA ALA 81 -6.627 4.416 1.019 416 HB1 ALA 81 1HB ALA 81 -4.782 5.311 -0.191 417 HB2 ALA 81 2HB ALA 81 -3.820 5.503 1.304 418 HB3 ALA 81 3HB ALA 81 -4.271 3.886 0.709 419 H ILE 82 H ILE 82 -4.746 6.010 3.656 420 HA ILE 82 HA ILE 82 -4.457 3.881 5.423 421 HB ILE 82 HB ILE 82 -4.922 6.806 6.026 422 HG12 ILE 82 2HG1 ILE 82 -2.265 5.493 6.488 423 HG13 ILE 82 3HG1 ILE 82 -2.695 5.794 4.816 424 HG21 ILE 82 1HG2 ILE 82 -5.478 5.560 8.070 425 HG22 ILE 82 2HG2 ILE 82 -3.950 4.660 7.958 426 HG23 ILE 82 3HG2 ILE 82 -3.952 6.401 8.273 427 HD11 ILE 82 3HD1 ILE 82 -2.636 7.861 7.050 428 HD12 ILE 82 1HD1 ILE 82 -1.472 7.697 5.707 429 HD13 ILE 82 2HD1 ILE 82 -3.162 8.156 5.395 430 H GLU 83 H GLU 83 -7.141 6.323 5.508 431 HA GLU 83 HA GLU 83 -8.606 4.866 7.479 432 HB2 GLU 83 2HB GLU 83 -9.485 6.947 5.464 433 HB3 GLU 83 3HB GLU 83 -10.505 6.349 6.773 434 HG2 GLU 83 2HG GLU 83 -7.805 7.750 7.128 435 HG3 GLU 83 3HG GLU 83 -9.389 8.481 7.345 436 H GLU 84 H GLU 84 -8.495 4.363 4.028 437 HA GLU 84 HA GLU 84 -10.940 2.784 3.791 438 HB2 GLU 84 2HB GLU 84 -8.503 3.191 2.024 439 HB3 GLU 84 3HB GLU 84 -9.788 2.083 1.595 440 HG2 GLU 84 2HG GLU 84 -10.466 4.970 2.173 441 HG3 GLU 84 3HG GLU 84 -9.751 4.527 0.626 442 H VAL 85 H VAL 85 -7.442 1.959 4.156 443 HA VAL 85 HA VAL 85 -8.211 -0.876 4.699 444 HB VAL 85 HB VAL 85 -8.161 -0.603 2.337 445 HG11 VAL 85 1HG1 VAL 85 -5.386 0.492 2.657 446 HG12 VAL 85 2HG1 VAL 85 -5.965 -0.186 1.127 447 HG13 VAL 85 3HG1 VAL 85 -6.772 1.207 1.858 448 HG21 VAL 85 3HG2 VAL 85 -5.689 -2.191 2.982 449 HG22 VAL 85 1HG2 VAL 85 -7.347 -2.766 3.293 450 HG23 VAL 85 2HG2 VAL 85 -6.821 -2.405 1.643 451 H HIS 86 H HIS 86 -6.244 1.580 5.829 452 HA HIS 86 HA HIS 86 -3.945 -0.041 6.602 453 HD1 HIS 86 HD1 HIS 86 -1.466 2.423 7.216 454 HD2 HIS 86 HD2 HIS 86 -3.933 1.053 10.322 455 HE1 HIS 86 HE1 HIS 86 0.088 1.896 9.192 456 HB2 HIS 86 2HB HIS 86 -3.959 2.429 6.644 457 HB3 HIS 86 3HB HIS 86 -5.051 2.400 8.021 458 H GLY 87 H GLY 87 -4.133 -1.829 7.818 459 HA2 GLY 87 2HA GLY 87 -4.071 -2.757 10.003 460 HA3 GLY 87 3HA GLY 87 -5.224 -1.558 10.578 461 H LYS 88 H LYS 88 -6.348 -2.477 7.665 462 HA LYS 88 HA LYS 88 -8.404 -4.378 8.576 463 HB2 LYS 88 2HB LYS 88 -7.703 -2.737 6.139 464 HB3 LYS 88 3HB LYS 88 -8.635 -4.145 5.892 465 HG2 LYS 88 2HG LYS 88 -10.097 -2.185 6.137 466 HG3 LYS 88 3HG LYS 88 -10.371 -3.342 7.430 467 HD2 LYS 88 2HD LYS 88 -10.427 -1.442 8.679 468 HD3 LYS 88 3HD LYS 88 -8.722 -1.767 8.813 469 HE2 LYS 88 2HE LYS 88 -8.850 0.511 8.425 470 HE3 LYS 88 3HE LYS 88 -8.346 -0.145 6.873 471 HZ1 LYS 88 3HZ LYS 88 -10.194 1.554 6.797 472 HZ2 LYS 88 1HZ LYS 88 -10.576 0.155 6.047 473 HZ3 LYS 88 2HZ LYS 88 -11.181 0.491 7.538 474 H SER 89 H SER 89 -8.467 -6.461 7.881 475 HA SER 89 HA SER 89 -5.805 -7.695 7.586 476 HG SER 89 HG SER 89 -9.103 -9.173 7.631 477 HB2 SER 89 2HB SER 89 -6.988 -9.773 8.287 478 HB3 SER 89 3HB SER 89 -7.052 -8.433 9.444 479 H PHE 90 H PHE 90 -5.112 -7.817 5.460 480 HA PHE 90 HA PHE 90 -6.981 -9.124 3.496 481 HD1 PHE 90 HD1 PHE 90 -4.277 -9.810 1.200 482 HD2 PHE 90 HD2 PHE 90 -7.272 -6.706 1.312 483 HE1 PHE 90 HE1 PHE 90 -5.086 -10.502 -1.052 484 HE2 PHE 90 HE2 PHE 90 -8.006 -7.334 -0.974 485 HZ PHE 90 HZ PHE 90 -6.967 -9.283 -2.111 486 HB2 PHE 90 2HB PHE 90 -5.881 -6.970 3.041 487 HB3 PHE 90 3HB PHE 90 -4.343 -7.749 3.053 488 H ALA 91 H ALA 91 -6.536 -11.035 2.585 489 HA ALA 91 HA ALA 91 -5.966 -13.167 2.376 490 HB1 ALA 91 1HB ALA 91 -3.618 -13.638 1.837 491 HB2 ALA 91 2HB ALA 91 -4.218 -12.175 1.052 492 HB3 ALA 91 3HB ALA 91 -3.152 -12.042 2.465 493 H ASN 92 H ASN 92 -3.718 -12.060 4.926 494 HA ASN 92 HA ASN 92 -4.628 -14.137 6.794 495 HB2 ASN 92 2HB ASN 92 -2.421 -15.142 7.073 496 HB3 ASN 92 3HB ASN 92 -2.916 -15.302 5.400 497 HD21 ASN 92 1HD2 ASN 92 -1.781 -14.025 3.779 498 HD22 ASN 92 2HD2 ASN 92 -0.289 -13.183 4.173 499 H GLN 93 H GLN 93 -3.403 -10.953 6.274 500 HA GLN 93 HA GLN 93 -3.022 -10.458 9.138 501 HB2 GLN 93 2HB GLN 93 -0.690 -9.816 9.002 502 HB3 GLN 93 3HB GLN 93 -0.846 -11.475 8.458 503 HG2 GLN 93 2HG GLN 93 -0.821 -10.626 6.086 504 HG3 GLN 93 3HG GLN 93 -0.523 -8.996 6.718 505 HE21 GLN 93 2HE2 GLN 93 0.848 -12.319 6.664 506 HE22 GLN 93 1HE2 GLN 93 2.515 -11.751 6.613 507 HA PRO 94 HA PRO 94 -4.113 -6.493 7.700 508 HB2 PRO 94 2HB PRO 94 -3.208 -4.743 9.645 509 HB3 PRO 94 3HB PRO 94 -4.554 -5.895 9.922 510 HG2 PRO 94 2HG PRO 94 -1.608 -6.269 10.584 511 HG3 PRO 94 3HG PRO 94 -3.021 -6.512 11.662 512 HD2 PRO 94 2HD PRO 94 -1.843 -8.567 10.347 513 HD3 PRO 94 3HD PRO 94 -3.627 -8.499 10.510 514 H LEU 95 H LEU 95 -3.639 -4.761 6.676 515 HA LEU 95 HA LEU 95 -1.095 -4.401 5.359 516 HG LEU 95 HG LEU 95 -3.676 -3.314 2.992 517 HB2 LEU 95 2HB LEU 95 -3.722 -2.858 5.549 518 HB3 LEU 95 3HB LEU 95 -2.406 -2.322 4.574 519 HD11 LEU 95 1HD1 LEU 95 -1.467 -4.415 2.932 520 HD12 LEU 95 2HD1 LEU 95 -2.175 -5.744 3.886 521 HD13 LEU 95 3HD1 LEU 95 -2.784 -5.394 2.252 522 HD21 LEU 95 3HD2 LEU 95 -4.472 -5.650 4.631 523 HD22 LEU 95 1HD2 LEU 95 -5.379 -4.110 4.545 524 HD23 LEU 95 2HD2 LEU 95 -5.095 -5.017 3.065 525 H GLU 96 H GLU 96 0.151 -2.471 5.249 526 HA GLU 96 HA GLU 96 -0.002 -0.604 7.565 527 HB2 GLU 96 2HB GLU 96 1.653 -2.387 7.831 528 HB3 GLU 96 3HB GLU 96 2.531 -1.835 6.404 529 HG2 GLU 96 2HG GLU 96 3.006 0.286 7.469 530 HG3 GLU 96 3HG GLU 96 1.989 -0.131 8.861 531 H VAL 97 H VAL 97 -1.361 -0.029 5.538 532 HA VAL 97 HA VAL 97 -0.254 1.295 3.235 533 HB VAL 97 HB VAL 97 -2.880 1.407 4.763 534 HG11 VAL 97 1HG1 VAL 97 -2.858 3.470 3.447 535 HG12 VAL 97 2HG1 VAL 97 -2.446 2.552 1.984 536 HG13 VAL 97 3HG1 VAL 97 -3.990 2.299 2.758 537 HG21 VAL 97 3HG2 VAL 97 -2.655 0.217 1.985 538 HG22 VAL 97 1HG2 VAL 97 -1.898 -0.670 3.302 539 HG23 VAL 97 2HG2 VAL 97 -3.610 -0.327 3.397 540 H VAL 98 H VAL 98 1.289 3.148 3.947 541 HA VAL 98 HA VAL 98 0.040 5.155 5.669 542 HB VAL 98 HB VAL 98 0.722 2.923 6.896 543 HG11 VAL 98 1HG1 VAL 98 3.403 4.018 7.486 544 HG12 VAL 98 2HG1 VAL 98 2.640 2.505 7.884 545 HG13 VAL 98 3HG1 VAL 98 3.112 2.772 6.208 546 HG21 VAL 98 3HG2 VAL 98 0.861 4.123 8.931 547 HG22 VAL 98 1HG2 VAL 98 1.020 5.645 7.999 548 HG23 VAL 98 2HG2 VAL 98 -0.425 4.589 7.794 549 H TYR 99 H TYR 99 3.255 5.022 6.270 550 HA TYR 99 HA TYR 99 4.095 6.907 4.122 551 HD1 TYR 99 HD1 TYR 99 2.463 8.333 4.959 552 HD2 TYR 99 HD2 TYR 99 4.271 7.847 8.834 553 HE1 TYR 99 HE1 TYR 99 0.565 9.537 5.967 554 HE2 TYR 99 HE2 TYR 99 2.361 9.050 9.866 555 HH TYR 99 HH TYR 99 0.357 10.110 9.524 556 HB2 TYR 99 2HB TYR 99 5.112 6.630 6.950 557 HB3 TYR 99 3HB TYR 99 5.415 7.965 5.839 558 H SER 100 H SER 100 4.171 3.879 4.495 559 HA SER 100 HA SER 100 5.471 2.121 4.793 560 HG SER 100 HG SER 100 7.808 1.715 2.806 561 HB2 SER 100 2HB SER 100 5.015 2.244 2.524 562 HB3 SER 100 3HB SER 100 6.310 3.358 2.327 563 H LYS 101 H LYS 101 6.457 3.215 6.783 564 HA LYS 101 HA LYS 101 8.934 1.769 6.968 565 HB2 LYS 101 2HB LYS 101 9.467 4.348 6.360 566 HB3 LYS 101 3HB LYS 101 9.278 4.549 8.089 567 HG2 LYS 101 2HG LYS 101 11.122 2.443 6.899 568 HG3 LYS 101 3HG LYS 101 11.609 4.128 7.029 569 HD2 LYS 101 2HD LYS 101 11.333 4.071 9.483 570 HD3 LYS 101 3HD LYS 101 10.860 2.363 9.393 571 HE2 LYS 101 2HE LYS 101 13.015 1.798 8.323 572 HE3 LYS 101 3HE LYS 101 13.511 3.495 8.411 573 HZ1 LYS 101 3HZ LYS 101 12.870 1.852 10.815 574 HZ2 LYS 101 1HZ LYS 101 14.391 2.129 10.262 575 HZ3 LYS 101 2HZ LYS 101 13.450 3.340 10.833 576 H LEU 102 H LEU 102 9.183 0.974 9.007 577 HA LEU 102 HA LEU 102 7.087 0.857 10.893 578 HG LEU 102 HG LEU 102 8.928 -1.165 9.605 579 HB2 LEU 102 2HB LEU 102 10.101 0.470 11.159 580 HB3 LEU 102 3HB LEU 102 8.976 0.018 12.424 581 HD11 LEU 102 1HD1 LEU 102 9.941 -3.151 10.626 582 HD12 LEU 102 2HD1 LEU 102 11.002 -1.746 10.812 583 HD13 LEU 102 3HD1 LEU 102 10.047 -2.318 12.194 584 HD21 LEU 102 3HD2 LEU 102 6.749 -1.335 10.772 585 HD22 LEU 102 1HD2 LEU 102 7.521 -2.913 10.635 586 HD23 LEU 102 2HD2 LEU 102 7.548 -2.046 12.186 587 HA PRO 103 HA PRO 103 7.351 4.621 13.209 588 HB2 PRO 103 2HB PRO 103 6.731 3.887 15.793 589 HB3 PRO 103 3HB PRO 103 5.563 3.914 14.441 590 HG2 PRO 103 2HG PRO 103 7.130 1.539 15.494 591 HG3 PRO 103 3HG PRO 103 5.368 1.649 15.176 592 HD2 PRO 103 2HD PRO 103 7.050 0.558 13.361 593 HD3 PRO 103 3HD PRO 103 5.703 1.601 12.825 594 H ALA 104 H ALA 104 9.804 2.448 13.444 595 HA ALA 104 HA ALA 104 11.609 4.425 14.637 596 HB1 ALA 104 1HB ALA 104 11.143 2.889 16.517 597 HB2 ALA 104 2HB ALA 104 11.551 1.490 15.500 598 HB3 ALA 104 3HB ALA 104 12.804 2.673 15.932 Start of MODEL 16 1 H GLU 28 H GLU 28 9.005 12.085 11.758 2 HA GLU 28 HA GLU 28 6.825 12.893 11.094 3 HB2 GLU 28 2HB GLU 28 6.506 14.200 9.147 4 HB3 GLU 28 3HB GLU 28 7.575 15.074 10.215 5 HG2 GLU 28 2HG GLU 28 8.528 13.504 7.772 6 HG3 GLU 28 3HG GLU 28 8.095 15.204 7.751 7 H LEU 29 H LEU 29 6.166 12.365 8.383 8 HA LEU 29 HA LEU 29 7.488 9.894 7.583 9 HG LEU 29 HG LEU 29 5.020 7.879 7.097 10 HB2 LEU 29 2HB LEU 29 5.732 9.438 9.493 11 HB3 LEU 29 3HB LEU 29 4.537 9.789 8.283 12 HD11 LEU 29 1HD1 LEU 29 7.586 7.352 8.540 13 HD12 LEU 29 2HD1 LEU 29 6.752 6.265 7.377 14 HD13 LEU 29 3HD1 LEU 29 7.367 7.818 6.817 15 HD21 LEU 29 3HD2 LEU 29 4.676 6.095 8.641 16 HD22 LEU 29 1HD2 LEU 29 5.506 6.986 9.947 17 HD23 LEU 29 2HD2 LEU 29 3.929 7.534 9.347 18 H SER 30 H SER 30 6.033 8.924 5.645 19 HA SER 30 HA SER 30 6.325 10.841 3.669 20 HG SER 30 HG SER 30 6.432 7.433 4.038 21 HB2 SER 30 2HB SER 30 4.642 8.337 3.373 22 HB3 SER 30 3HB SER 30 5.507 9.207 2.116 23 H ASN 31 H ASN 31 3.467 10.352 5.547 24 HA ASN 31 HA ASN 31 1.273 10.846 5.404 25 HB2 ASN 31 2HB ASN 31 1.698 13.039 3.443 26 HB3 ASN 31 3HB ASN 31 0.619 12.953 4.809 27 HD21 ASN 31 1HD2 ASN 31 3.635 14.049 3.684 28 HD22 ASN 31 2HD2 ASN 31 4.261 14.603 5.224 29 H THR 32 H THR 32 2.619 9.348 2.808 30 HA THR 32 HA THR 32 0.168 9.415 1.078 31 HB THR 32 HB THR 32 1.687 9.860 -0.827 32 HG1 THR 32 1HG THR 32 3.626 10.679 1.019 33 HG21 THR 32 1HG2 THR 32 1.920 12.153 -0.582 34 HG22 THR 32 2HG2 THR 32 0.530 11.731 0.432 35 HG23 THR 32 3HG2 THR 32 2.096 12.076 1.180 36 H ARG 33 H ARG 33 1.508 6.889 2.549 37 HA ARG 33 HA ARG 33 2.088 5.388 0.038 38 HE ARG 33 HE ARG 33 6.647 6.787 -1.442 39 HB2 ARG 33 2HB ARG 33 4.059 5.778 2.227 40 HB3 ARG 33 3HB ARG 33 4.113 4.386 1.094 41 HG2 ARG 33 2HG ARG 33 4.485 5.658 -0.718 42 HG3 ARG 33 3HG ARG 33 4.161 7.203 0.148 43 HD2 ARG 33 2HD ARG 33 6.151 6.818 1.505 44 HD3 ARG 33 3HD ARG 33 6.517 5.340 0.604 45 HH11 ARG 33 1HH1 ARG 33 7.524 8.284 1.629 46 HH12 ARG 33 2HH1 ARG 33 8.248 9.645 0.820 47 HH21 ARG 33 1HH2 ARG 33 7.227 8.682 -2.324 48 HH22 ARG 33 2HH2 ARG 33 8.116 9.852 -1.376 49 H LEU 34 H LEU 34 1.402 3.575 -0.077 50 HA LEU 34 HA LEU 34 0.087 2.410 2.223 51 HG LEU 34 HG LEU 34 -2.484 3.110 -0.229 52 HB2 LEU 34 2HB LEU 34 -0.219 1.788 -0.603 53 HB3 LEU 34 3HB LEU 34 -1.331 1.395 0.678 54 HD11 LEU 34 1HD1 LEU 34 -2.463 5.112 0.926 55 HD12 LEU 34 2HD1 LEU 34 -1.722 4.006 2.082 56 HD13 LEU 34 3HD1 LEU 34 -0.727 5.133 1.150 57 HD21 LEU 34 3HD2 LEU 34 -1.602 4.998 -1.477 58 HD22 LEU 34 1HD2 LEU 34 0.035 4.575 -1.076 59 HD23 LEU 34 2HD2 LEU 34 -0.964 3.522 -2.110 60 H PHE 35 H PHE 35 1.398 1.167 3.325 61 HA PHE 35 HA PHE 35 3.382 -0.514 1.956 62 HD1 PHE 35 HD1 PHE 35 5.393 -1.744 2.977 63 HD2 PHE 35 HD2 PHE 35 3.873 -0.047 6.644 64 HE1 PHE 35 HE1 PHE 35 7.017 -3.089 4.277 65 HE2 PHE 35 HE2 PHE 35 5.465 -1.440 7.941 66 HZ PHE 35 HZ PHE 35 7.061 -2.939 6.762 67 HB2 PHE 35 2HB PHE 35 4.343 0.806 3.390 68 HB3 PHE 35 3HB PHE 35 3.187 0.930 4.560 69 H VAL 36 H VAL 36 2.379 -2.202 1.156 70 HA VAL 36 HA VAL 36 0.944 -3.969 3.078 71 HB VAL 36 HB VAL 36 -0.576 -4.626 1.300 72 HG11 VAL 36 1HG1 VAL 36 -1.111 -3.039 3.152 73 HG12 VAL 36 2HG1 VAL 36 -0.556 -1.690 2.152 74 HG13 VAL 36 3HG1 VAL 36 -1.977 -2.633 1.646 75 HG21 VAL 36 3HG2 VAL 36 0.173 -1.953 0.061 76 HG22 VAL 36 1HG2 VAL 36 0.762 -3.528 -0.559 77 HG23 VAL 36 2HG2 VAL 36 -0.988 -3.221 -0.498 78 H ARG 37 H ARG 37 1.521 -5.832 3.230 79 HA ARG 37 HA ARG 37 3.522 -7.149 1.493 80 HE ARG 37 HE ARG 37 4.535 -4.139 7.153 81 HB2 ARG 37 2HB ARG 37 5.206 -7.029 3.424 82 HB3 ARG 37 3HB ARG 37 4.864 -5.535 2.582 83 HG2 ARG 37 2HG ARG 37 3.807 -4.523 4.332 84 HG3 ARG 37 3HG ARG 37 3.118 -6.012 4.934 85 HD2 ARG 37 2HD ARG 37 5.430 -6.625 5.813 86 HD3 ARG 37 3HD ARG 37 5.917 -4.980 5.417 87 HH11 ARG 37 2HH2 ARG 37 3.935 -7.559 6.787 88 HH12 ARG 37 1HH2 ARG 37 2.801 -7.635 8.085 89 HH21 ARG 37 2HH1 ARG 37 3.055 -4.237 8.818 90 HH22 ARG 37 1HH1 ARG 37 2.342 -5.779 9.246 91 HA PRO 38 HA PRO 38 1.598 -10.322 4.452 92 HB2 PRO 38 2HB PRO 38 -0.835 -10.995 3.529 93 HB3 PRO 38 3HB PRO 38 -0.667 -9.545 4.569 94 HG2 PRO 38 2HG PRO 38 -0.832 -9.552 1.587 95 HG3 PRO 38 3HG PRO 38 -1.783 -8.633 2.764 96 HD2 PRO 38 2HD PRO 38 0.463 -7.575 1.626 97 HD3 PRO 38 3HD PRO 38 0.055 -7.224 3.327 98 H PHE 39 H PHE 39 1.331 -9.745 0.997 99 HA PHE 39 HA PHE 39 0.886 -12.403 0.152 100 HD1 PHE 39 HD1 PHE 39 2.449 -8.478 -0.958 101 HD2 PHE 39 HD2 PHE 39 -1.552 -10.092 -1.065 102 HE1 PHE 39 HE1 PHE 39 1.498 -6.182 -0.822 103 HE2 PHE 39 HE2 PHE 39 -2.479 -7.819 -0.810 104 HZ PHE 39 HZ PHE 39 -0.967 -5.849 -0.756 105 HB2 PHE 39 2HB PHE 39 2.013 -10.670 -1.890 106 HB3 PHE 39 3HB PHE 39 0.441 -11.436 -1.815 107 HA PRO 40 HA PRO 40 5.186 -13.516 -0.924 108 HB2 PRO 40 2HB PRO 40 4.517 -15.468 -2.893 109 HB3 PRO 40 3HB PRO 40 4.741 -15.749 -1.159 110 HG2 PRO 40 2HG PRO 40 2.269 -15.968 -2.599 111 HG3 PRO 40 3HG PRO 40 2.528 -16.043 -0.835 112 HD2 PRO 40 2HD PRO 40 1.686 -13.706 -2.513 113 HD3 PRO 40 3HD PRO 40 1.215 -14.163 -0.849 114 H LEU 41 H LEU 41 6.079 -14.170 -3.522 115 HA LEU 41 HA LEU 41 6.353 -11.688 -4.877 116 HG LEU 41 HG LEU 41 8.750 -12.261 -5.482 117 HB2 LEU 41 2HB LEU 41 6.787 -14.593 -5.658 118 HB3 LEU 41 3HB LEU 41 7.017 -13.300 -6.823 119 HD11 LEU 41 1HD1 LEU 41 8.164 -12.871 -3.183 120 HD12 LEU 41 2HD1 LEU 41 8.396 -14.599 -3.553 121 HD13 LEU 41 3HD1 LEU 41 9.774 -13.483 -3.559 122 HD21 LEU 41 3HD2 LEU 41 9.327 -13.982 -7.147 123 HD22 LEU 41 1HD2 LEU 41 10.467 -13.981 -5.789 124 HD23 LEU 41 2HD2 LEU 41 9.214 -15.239 -5.896 125 H ASP 42 H ASP 42 3.721 -13.916 -5.015 126 HA ASP 42 HA ASP 42 2.610 -13.474 -7.565 127 HB2 ASP 42 2HB ASP 42 1.218 -14.151 -4.960 128 HB3 ASP 42 3HB ASP 42 0.592 -14.428 -6.579 129 H VAL 43 H VAL 43 2.526 -11.083 -4.954 130 HA VAL 43 HA VAL 43 0.117 -9.814 -6.055 131 HB VAL 43 HB VAL 43 0.707 -9.378 -3.758 132 HG11 VAL 43 1HG1 VAL 43 3.117 -7.889 -4.867 133 HG12 VAL 43 2HG1 VAL 43 2.506 -7.725 -3.221 134 HG13 VAL 43 3HG1 VAL 43 3.110 -9.298 -3.761 135 HG21 VAL 43 3HG2 VAL 43 -0.692 -7.759 -4.999 136 HG22 VAL 43 1HG2 VAL 43 0.256 -6.992 -3.732 137 HG23 VAL 43 2HG2 VAL 43 0.754 -6.815 -5.414 138 H GLN 44 H GLN 44 -0.008 -8.031 -7.455 139 HA GLN 44 HA GLN 44 2.432 -6.885 -8.518 140 HB2 GLN 44 2HB GLN 44 0.880 -7.431 -10.893 141 HB3 GLN 44 3HB GLN 44 2.569 -7.663 -10.557 142 HG2 GLN 44 2HG GLN 44 1.888 -9.736 -11.280 143 HG3 GLN 44 3HG GLN 44 1.919 -9.954 -9.542 144 HE21 GLN 44 2HE2 GLN 44 0.184 -11.348 -9.059 145 HE22 GLN 44 1HE2 GLN 44 -1.434 -11.124 -9.679 146 H GLU 45 H GLU 45 1.829 -5.161 -10.252 147 HA GLU 45 HA GLU 45 0.200 -3.209 -9.012 148 HB2 GLU 45 2HB GLU 45 0.602 -1.877 -10.895 149 HB3 GLU 45 3HB GLU 45 2.047 -2.864 -10.719 150 HG2 GLU 45 2HG GLU 45 -0.240 -3.221 -12.682 151 HG3 GLU 45 3HG GLU 45 1.392 -2.676 -13.061 152 H SER 46 H SER 46 -0.804 -5.728 -11.290 153 HA SER 46 HA SER 46 -3.425 -4.659 -11.781 154 HG SER 46 HG SER 46 -1.332 -5.993 -13.404 155 HB2 SER 46 2HB SER 46 -2.349 -7.481 -11.998 156 HB3 SER 46 3HB SER 46 -3.919 -6.932 -12.605 157 H GLU 47 H GLU 47 -2.134 -6.466 -9.001 158 HA GLU 47 HA GLU 47 -4.711 -7.510 -8.032 159 HB2 GLU 47 2HB GLU 47 -1.891 -7.279 -6.887 160 HB3 GLU 47 3HB GLU 47 -3.190 -8.048 -6.103 161 HG2 GLU 47 2HG GLU 47 -1.775 -8.878 -8.613 162 HG3 GLU 47 3HG GLU 47 -1.750 -9.681 -7.059 163 H LEU 48 H LEU 48 -2.211 -5.052 -7.497 164 HA LEU 48 HA LEU 48 -3.535 -3.641 -5.367 165 HG LEU 48 HG LEU 48 -0.956 -4.916 -5.697 166 HB2 LEU 48 2HB LEU 48 -1.381 -2.823 -7.339 167 HB3 LEU 48 3HB LEU 48 -1.777 -1.984 -5.925 168 HD11 LEU 48 1HD1 LEU 48 0.978 -2.597 -5.709 169 HD12 LEU 48 2HD1 LEU 48 1.317 -4.335 -5.521 170 HD13 LEU 48 3HD1 LEU 48 0.716 -3.732 -7.064 171 HD21 LEU 48 3HD2 LEU 48 -0.631 -2.462 -3.982 172 HD22 LEU 48 1HD2 LEU 48 -1.724 -3.860 -3.685 173 HD23 LEU 48 2HD2 LEU 48 0.027 -4.095 -3.622 174 H ASN 49 H ASN 49 -3.590 -3.414 -8.927 175 HA ASN 49 HA ASN 49 -5.349 -1.088 -8.989 176 HB2 ASN 49 2HB ASN 49 -4.625 -3.174 -10.999 177 HB3 ASN 49 3HB ASN 49 -6.169 -2.384 -11.227 178 HD21 ASN 49 2HD2 ASN 49 -2.700 -1.704 -10.848 179 HD22 ASN 49 1HD2 ASN 49 -2.779 -0.144 -11.671 180 H GLU 50 H GLU 50 -6.184 -4.605 -8.814 181 HA GLU 50 HA GLU 50 -9.015 -4.212 -8.692 182 HB2 GLU 50 2HB GLU 50 -7.109 -6.322 -7.736 183 HB3 GLU 50 3HB GLU 50 -8.790 -6.407 -7.227 184 HG2 GLU 50 2HG GLU 50 -7.828 -6.261 -10.126 185 HG3 GLU 50 3HG GLU 50 -8.209 -7.751 -9.273 186 H ILE 51 H ILE 51 -6.587 -4.037 -6.090 187 HA ILE 51 HA ILE 51 -8.653 -3.770 -4.005 188 HB ILE 51 HB ILE 51 -5.658 -3.827 -4.083 189 HG12 ILE 51 2HG1 ILE 51 -7.536 -5.899 -2.891 190 HG13 ILE 51 3HG1 ILE 51 -6.966 -5.954 -4.549 191 HG21 ILE 51 1HG2 ILE 51 -6.269 -2.465 -2.097 192 HG22 ILE 51 2HG2 ILE 51 -7.434 -3.712 -1.601 193 HG23 ILE 51 3HG2 ILE 51 -5.686 -4.037 -1.575 194 HD11 ILE 51 3HD1 ILE 51 -4.578 -5.953 -3.682 195 HD12 ILE 51 1HD1 ILE 51 -5.253 -6.210 -2.053 196 HD13 ILE 51 2HD1 ILE 51 -5.533 -7.398 -3.340 197 H PHE 52 H PHE 52 -6.393 -1.581 -5.629 198 HA PHE 52 HA PHE 52 -7.047 0.665 -3.813 199 HD1 PHE 52 HD2 PHE 52 -4.677 -1.962 -4.217 200 HD2 PHE 52 HD1 PHE 52 -3.865 2.024 -2.809 201 HE1 PHE 52 HE2 PHE 52 -3.188 -2.896 -2.512 202 HE2 PHE 52 HE1 PHE 52 -2.261 1.076 -1.227 203 HZ PHE 52 HZ PHE 52 -1.791 -1.366 -1.165 204 HB2 PHE 52 2HB PHE 52 -4.771 0.327 -5.729 205 HB3 PHE 52 3HB PHE 52 -5.076 1.754 -4.786 206 H GLY 53 H GLY 53 -7.632 -0.400 -7.080 207 HA2 GLY 53 2HA GLY 53 -8.179 1.978 -8.478 208 HA3 GLY 53 3HA GLY 53 -9.036 0.443 -8.656 209 HA PRO 54 HA PRO 54 -12.508 2.151 -6.224 210 HB2 PRO 54 2HB PRO 54 -11.666 1.296 -3.470 211 HB3 PRO 54 3HB PRO 54 -13.228 1.039 -4.307 212 HG2 PRO 54 2HG PRO 54 -11.472 -1.006 -4.022 213 HG3 PRO 54 3HG PRO 54 -12.317 -0.772 -5.595 214 HD2 PRO 54 2HD PRO 54 -9.593 0.249 -4.767 215 HD3 PRO 54 3HD PRO 54 -9.952 -0.764 -6.182 216 H PHE 55 H PHE 55 -9.331 2.765 -4.730 217 HA PHE 55 HA PHE 55 -10.139 5.232 -3.362 218 HD1 PHE 55 HD1 PHE 55 -10.150 3.197 -2.055 219 HD2 PHE 55 HD2 PHE 55 -5.894 3.058 -2.700 220 HE1 PHE 55 HE1 PHE 55 -10.051 1.027 -0.895 221 HE2 PHE 55 HE2 PHE 55 -5.775 1.010 -1.242 222 HZ PHE 55 HZ PHE 55 -7.878 -0.033 -0.435 223 HB2 PHE 55 2HB PHE 55 -7.274 4.463 -4.011 224 HB3 PHE 55 3HB PHE 55 -7.898 5.431 -2.728 225 H GLY 56 H GLY 56 -8.040 4.322 -6.081 226 HA2 GLY 56 2HA GLY 56 -8.583 5.171 -8.217 227 HA3 GLY 56 3HA GLY 56 -8.930 6.750 -7.515 228 HA PRO 57 HA PRO 57 -5.174 8.289 -8.756 229 HB2 PRO 57 2HB PRO 57 -4.280 10.051 -6.878 230 HB3 PRO 57 3HB PRO 57 -5.910 10.151 -7.592 231 HG2 PRO 57 2HG PRO 57 -5.122 8.791 -4.991 232 HG3 PRO 57 3HG PRO 57 -6.374 10.060 -5.230 233 HD2 PRO 57 2HD PRO 57 -6.990 7.414 -5.219 234 HD3 PRO 57 3HD PRO 57 -7.819 8.553 -6.325 235 H MET 58 H MET 58 -4.548 5.624 -7.485 236 HA MET 58 HA MET 58 -2.016 5.364 -6.228 237 HB2 MET 58 2HB MET 58 -1.788 3.298 -7.512 238 HB3 MET 58 3HB MET 58 -3.197 3.444 -6.468 239 HG2 MET 58 2HG MET 58 -4.682 3.344 -8.154 240 HG3 MET 58 3HG MET 58 -3.674 4.267 -9.279 241 HE1 MET 58 3HE MET 58 -2.925 -0.200 -8.341 242 HE2 MET 58 1HE MET 58 -2.658 1.142 -7.202 243 HE3 MET 58 2HE MET 58 -4.311 0.720 -7.707 244 H LYS 59 H LYS 59 -0.509 6.769 -6.658 245 HA LYS 59 HA LYS 59 0.234 7.679 -9.328 246 HB2 LYS 59 2HB LYS 59 -0.255 9.030 -7.268 247 HB3 LYS 59 3HB LYS 59 1.138 8.283 -6.481 248 HG2 LYS 59 2HG LYS 59 1.462 9.887 -8.998 249 HG3 LYS 59 3HG LYS 59 1.209 10.632 -7.434 250 HD2 LYS 59 2HD LYS 59 3.593 9.037 -8.318 251 HD3 LYS 59 3HD LYS 59 3.399 10.681 -7.713 252 HE2 LYS 59 2HE LYS 59 3.077 9.992 -5.477 253 HE3 LYS 59 3HE LYS 59 3.146 8.275 -5.941 254 HZ1 LYS 59 3HZ LYS 59 5.464 8.592 -6.635 255 HZ2 LYS 59 1HZ LYS 59 5.389 10.196 -6.310 256 HZ3 LYS 59 2HZ LYS 59 5.308 9.105 -5.097 257 H GLU 60 H GLU 60 1.469 5.626 -6.735 258 HA GLU 60 HA GLU 60 3.347 4.436 -8.600 259 HB2 GLU 60 2HB GLU 60 4.345 6.308 -6.616 260 HB3 GLU 60 3HB GLU 60 4.854 4.680 -6.151 261 HG2 GLU 60 2HG GLU 60 5.926 4.354 -8.305 262 HG3 GLU 60 3HG GLU 60 5.270 5.882 -8.920 263 H VAL 61 H VAL 61 4.189 2.511 -7.988 264 HA VAL 61 HA VAL 61 2.598 0.927 -6.079 265 HB VAL 61 HB VAL 61 2.542 0.291 -9.096 266 HG11 VAL 61 1HG1 VAL 61 1.998 -1.441 -7.387 267 HG12 VAL 61 2HG1 VAL 61 0.587 -0.479 -6.899 268 HG13 VAL 61 3HG1 VAL 61 0.690 -1.127 -8.546 269 HG21 VAL 61 3HG2 VAL 61 0.327 1.869 -7.756 270 HG22 VAL 61 1HG2 VAL 61 1.365 2.403 -9.089 271 HG23 VAL 61 2HG2 VAL 61 0.238 1.075 -9.329 272 H LYS 62 H LYS 62 4.834 1.077 -5.367 273 HA LYS 62 HA LYS 62 6.978 -0.061 -6.965 274 HB2 LYS 62 2HB LYS 62 6.939 0.460 -3.978 275 HB3 LYS 62 3HB LYS 62 8.344 0.358 -5.026 276 HG2 LYS 62 2HG LYS 62 7.526 2.466 -6.207 277 HG3 LYS 62 3HG LYS 62 6.190 2.544 -5.062 278 HD2 LYS 62 2HD LYS 62 7.631 3.975 -4.012 279 HD3 LYS 62 3HD LYS 62 8.064 2.464 -3.219 280 HE2 LYS 62 2HE LYS 62 10.182 3.123 -3.803 281 HE3 LYS 62 3HE LYS 62 9.753 2.268 -5.296 282 HZ1 LYS 62 3HZ LYS 62 9.609 5.204 -4.807 283 HZ2 LYS 62 1HZ LYS 62 10.614 4.453 -5.852 284 HZ3 LYS 62 2HZ LYS 62 9.002 4.538 -6.150 285 H ILE 63 H ILE 63 7.122 -2.176 -7.337 286 HA ILE 63 HA ILE 63 5.870 -4.147 -5.454 287 HB ILE 63 HB ILE 63 6.592 -4.746 -8.332 288 HG12 ILE 63 2HG1 ILE 63 4.951 -3.007 -8.574 289 HG13 ILE 63 3HG1 ILE 63 4.384 -4.558 -9.125 290 HG21 ILE 63 1HG2 ILE 63 4.937 -6.610 -8.014 291 HG22 ILE 63 2HG2 ILE 63 6.331 -6.717 -6.946 292 HG23 ILE 63 3HG2 ILE 63 4.785 -6.134 -6.311 293 HD11 ILE 63 3HD1 ILE 63 2.998 -4.834 -7.078 294 HD12 ILE 63 1HD1 ILE 63 3.528 -3.234 -6.514 295 HD13 ILE 63 2HD1 ILE 63 2.602 -3.410 -8.028 296 H LEU 64 H LEU 64 7.154 -5.429 -4.393 297 HA LEU 64 HA LEU 64 9.778 -6.325 -5.498 298 HG LEU 64 HG LEU 64 10.925 -3.999 -4.446 299 HB2 LEU 64 2HB LEU 64 9.239 -5.721 -2.587 300 HB3 LEU 64 3HB LEU 64 10.741 -6.132 -3.344 301 HD11 LEU 64 1HD1 LEU 64 9.465 -2.044 -3.383 302 HD12 LEU 64 2HD1 LEU 64 9.143 -2.767 -4.928 303 HD13 LEU 64 3HD1 LEU 64 8.215 -3.305 -3.506 304 HD21 LEU 64 3HD2 LEU 64 11.325 -2.659 -2.433 305 HD22 LEU 64 1HD2 LEU 64 10.473 -3.925 -1.504 306 HD23 LEU 64 2HD2 LEU 64 11.964 -4.312 -2.373 307 H ASN 65 H ASN 65 10.472 -8.283 -4.366 308 HA ASN 65 HA ASN 65 8.772 -10.471 -4.201 309 HB2 ASN 65 2HB ASN 65 10.530 -11.090 -2.323 310 HB3 ASN 65 3HB ASN 65 10.934 -11.168 -4.040 311 HD21 ASN 65 2HD2 ASN 65 10.883 -8.820 -1.317 312 HD22 ASN 65 1HD2 ASN 65 12.462 -8.107 -1.681 313 H GLY 66 H GLY 66 6.761 -10.158 -3.180 314 HA2 GLY 66 2HA GLY 66 5.403 -10.536 -1.352 315 HA3 GLY 66 3HA GLY 66 6.816 -10.647 -0.318 316 H PHE 67 H PHE 67 6.941 -7.730 -2.032 317 HA PHE 67 HA PHE 67 5.182 -6.269 -0.058 318 HD1 PHE 67 HD1 PHE 67 9.010 -7.327 -0.346 319 HD2 PHE 67 HD2 PHE 67 6.991 -4.874 2.526 320 HE1 PHE 67 HE1 PHE 67 10.034 -8.662 1.472 321 HE2 PHE 67 HE2 PHE 67 8.117 -6.107 4.369 322 HZ PHE 67 HZ PHE 67 9.622 -8.022 3.856 323 HB2 PHE 67 2HB PHE 67 7.847 -5.181 -0.955 324 HB3 PHE 67 3HB PHE 67 6.729 -4.465 0.178 325 H ALA 68 H ALA 68 4.153 -4.501 -0.668 326 HA ALA 68 HA ALA 68 4.473 -3.246 -3.374 327 HB1 ALA 68 1HB ALA 68 2.705 -4.784 -3.675 328 HB2 ALA 68 2HB ALA 68 1.938 -4.302 -2.154 329 HB3 ALA 68 3HB ALA 68 2.053 -3.134 -3.495 330 H PHE 69 H PHE 69 5.071 -1.299 -2.942 331 HA PHE 69 HA PHE 69 3.878 0.187 -0.645 332 HD1 PHE 69 HD2 PHE 69 7.101 -1.360 -2.370 333 HD2 PHE 69 HD1 PHE 69 6.845 0.583 1.445 334 HE1 PHE 69 HE2 PHE 69 8.564 -3.066 -1.396 335 HE2 PHE 69 HE1 PHE 69 8.477 -1.049 2.373 336 HZ PHE 69 HZ PHE 69 9.414 -2.875 0.852 337 HB2 PHE 69 2HB PHE 69 6.379 1.142 -2.012 338 HB3 PHE 69 3HB PHE 69 5.746 1.555 -0.440 339 H VAL 70 H VAL 70 2.051 0.526 -1.719 340 HA VAL 70 HA VAL 70 2.091 1.942 -4.305 341 HB VAL 70 HB VAL 70 -0.373 1.588 -2.613 342 HG11 VAL 70 1HG1 VAL 70 0.099 1.488 -5.600 343 HG12 VAL 70 2HG1 VAL 70 -1.463 1.382 -4.803 344 HG13 VAL 70 3HG1 VAL 70 -0.572 2.941 -4.774 345 HG21 VAL 70 3HG2 VAL 70 0.898 -0.260 -4.585 346 HG22 VAL 70 1HG2 VAL 70 0.542 -0.605 -2.834 347 HG23 VAL 70 2HG2 VAL 70 -0.797 -0.381 -3.980 348 H GLU 71 H GLU 71 1.225 4.126 -4.477 349 HA GLU 71 HA GLU 71 1.815 5.870 -2.110 350 HB2 GLU 71 2HB GLU 71 3.930 5.035 -3.308 351 HB3 GLU 71 3HB GLU 71 3.345 5.875 -4.730 352 HG2 GLU 71 2HG GLU 71 3.464 8.016 -3.718 353 HG3 GLU 71 3HG GLU 71 3.685 7.347 -2.114 354 H PHE 72 H PHE 72 1.191 7.961 -2.436 355 HA PHE 72 HA PHE 72 -0.142 8.752 -4.988 356 HD1 PHE 72 HD1 PHE 72 -2.300 7.332 -5.074 357 HD2 PHE 72 HD2 PHE 72 -2.220 8.045 -0.852 358 HE1 PHE 72 HE1 PHE 72 -3.947 5.493 -4.737 359 HE2 PHE 72 HE2 PHE 72 -3.881 6.233 -0.521 360 HZ PHE 72 HZ PHE 72 -4.766 4.978 -2.462 361 HB2 PHE 72 2HB PHE 72 -1.112 9.527 -2.227 362 HB3 PHE 72 3HB PHE 72 -1.886 9.773 -3.765 363 H GLU 73 H GLU 73 -0.405 11.123 -5.134 364 HA GLU 73 HA GLU 73 2.079 12.453 -4.144 365 HB2 GLU 73 2HB GLU 73 1.841 14.059 -5.923 366 HB3 GLU 73 3HB GLU 73 2.032 12.400 -6.456 367 HG2 GLU 73 2HG GLU 73 -0.439 12.284 -6.905 368 HG3 GLU 73 3HG GLU 73 -0.600 13.951 -6.353 369 H GLU 74 H GLU 74 -0.950 12.198 -3.002 370 HA GLU 74 HA GLU 74 -0.662 14.633 -1.423 371 HB2 GLU 74 2HB GLU 74 -3.121 15.204 -1.650 372 HB3 GLU 74 3HB GLU 74 -2.042 15.635 -2.951 373 HG2 GLU 74 2HG GLU 74 -3.940 14.977 -4.044 374 HG3 GLU 74 3HG GLU 74 -2.870 13.607 -4.260 375 H ALA 75 H ALA 75 -2.440 14.550 0.428 376 HA ALA 75 HA ALA 75 -2.052 11.837 1.585 377 HB1 ALA 75 1HB ALA 75 -2.048 12.995 3.730 378 HB2 ALA 75 2HB ALA 75 -0.878 13.737 2.625 379 HB3 ALA 75 3HB ALA 75 -2.442 14.534 2.934 380 H GLU 76 H GLU 76 -4.658 13.489 0.266 381 HA GLU 76 HA GLU 76 -6.751 12.751 2.223 382 HB2 GLU 76 2HB GLU 76 -7.014 13.474 -0.713 383 HB3 GLU 76 3HB GLU 76 -8.290 13.466 0.500 384 HG2 GLU 76 2HG GLU 76 -5.935 15.386 0.281 385 HG3 GLU 76 3HG GLU 76 -7.636 15.761 0.037 386 H SER 77 H SER 77 -5.357 11.627 -0.776 387 HA SER 77 HA SER 77 -6.896 9.277 -1.329 388 HG SER 77 HG SER 77 -3.919 11.253 -1.799 389 HB2 SER 77 2HB SER 77 -4.810 8.677 -2.593 390 HB3 SER 77 3HB SER 77 -5.421 10.285 -2.966 391 H ALA 78 H ALA 78 -3.837 9.763 0.398 392 HA ALA 78 HA ALA 78 -3.578 7.122 1.421 393 HB1 ALA 78 1HB ALA 78 -1.780 8.765 1.464 394 HB2 ALA 78 2HB ALA 78 -2.617 9.689 2.729 395 HB3 ALA 78 3HB ALA 78 -2.037 8.037 3.050 396 H ALA 79 H ALA 79 -5.212 9.949 3.005 397 HA ALA 79 HA ALA 79 -6.064 8.660 5.343 398 HB1 ALA 79 1HB ALA 79 -6.213 11.076 4.939 399 HB2 ALA 79 2HB ALA 79 -7.530 10.808 3.775 400 HB3 ALA 79 3HB ALA 79 -7.758 10.396 5.483 401 H LYS 80 H LYS 80 -7.903 8.835 2.217 402 HA LYS 80 HA LYS 80 -9.877 7.018 3.255 403 HB2 LYS 80 2HB LYS 80 -10.780 6.832 1.022 404 HB3 LYS 80 3HB LYS 80 -10.369 8.523 1.366 405 HG2 LYS 80 2HG LYS 80 -8.358 8.314 0.016 406 HG3 LYS 80 3HG LYS 80 -8.712 6.601 -0.337 407 HD2 LYS 80 2HD LYS 80 -10.536 7.164 -1.722 408 HD3 LYS 80 3HD LYS 80 -10.773 8.746 -0.951 409 HE2 LYS 80 2HE LYS 80 -8.772 9.640 -1.951 410 HE3 LYS 80 3HE LYS 80 -8.377 8.081 -2.699 411 HZ1 LYS 80 3HZ LYS 80 -10.898 9.536 -3.300 412 HZ2 LYS 80 1HZ LYS 80 -9.535 9.763 -4.168 413 HZ3 LYS 80 2HZ LYS 80 -10.229 8.292 -4.143 414 H ALA 81 H ALA 81 -6.963 6.354 1.303 415 HA ALA 81 HA ALA 81 -7.508 3.645 0.816 416 HB1 ALA 81 1HB ALA 81 -5.107 3.354 0.484 417 HB2 ALA 81 2HB ALA 81 -5.701 4.845 -0.241 418 HB3 ALA 81 3HB ALA 81 -4.796 4.910 1.288 419 H ILE 82 H ILE 82 -5.914 5.214 3.629 420 HA ILE 82 HA ILE 82 -5.401 2.987 5.257 421 HB ILE 82 HB ILE 82 -6.204 5.799 6.041 422 HG12 ILE 82 2HG1 ILE 82 -3.437 4.736 6.467 423 HG13 ILE 82 3HG1 ILE 82 -3.871 5.165 4.817 424 HG21 ILE 82 1HG2 ILE 82 -5.236 5.313 8.292 425 HG22 ILE 82 2HG2 ILE 82 -6.670 4.356 7.970 426 HG23 ILE 82 3HG2 ILE 82 -5.063 3.611 7.830 427 HD11 ILE 82 3HD1 ILE 82 -2.844 7.071 5.933 428 HD12 ILE 82 1HD1 ILE 82 -4.560 7.398 5.627 429 HD13 ILE 82 2HD1 ILE 82 -4.039 6.989 7.257 430 H GLU 83 H GLU 83 -8.314 5.147 5.411 431 HA GLU 83 HA GLU 83 -9.646 3.459 7.278 432 HB2 GLU 83 2HB GLU 83 -10.714 5.519 5.333 433 HB3 GLU 83 3HB GLU 83 -11.695 4.749 6.589 434 HG2 GLU 83 2HG GLU 83 -9.167 6.395 7.107 435 HG3 GLU 83 3HG GLU 83 -10.819 6.968 7.271 436 H GLU 84 H GLU 84 -9.513 3.171 3.792 437 HA GLU 84 HA GLU 84 -11.814 1.451 3.410 438 HB2 GLU 84 2HB GLU 84 -9.277 1.933 1.795 439 HB3 GLU 84 3HB GLU 84 -10.534 0.826 1.265 440 HG2 GLU 84 2HG GLU 84 -11.251 3.645 1.937 441 HG3 GLU 84 3HG GLU 84 -10.459 3.331 0.414 442 H VAL 85 H VAL 85 -8.325 0.772 3.865 443 HA VAL 85 HA VAL 85 -8.951 -2.105 4.335 444 HB VAL 85 HB VAL 85 -8.896 -1.552 1.900 445 HG11 VAL 85 1HG1 VAL 85 -7.132 0.035 1.807 446 HG12 VAL 85 2HG1 VAL 85 -5.970 -1.175 2.439 447 HG13 VAL 85 3HG1 VAL 85 -6.677 -1.380 0.832 448 HG21 VAL 85 3HG2 VAL 85 -8.755 -3.823 2.639 449 HG22 VAL 85 1HG2 VAL 85 -7.694 -3.560 1.248 450 HG23 VAL 85 2HG2 VAL 85 -7.009 -3.687 2.873 451 H HIS 86 H HIS 86 -7.052 0.453 5.454 452 HA HIS 86 HA HIS 86 -4.708 -1.112 6.219 453 HD1 HIS 86 HD1 HIS 86 -2.431 1.726 7.059 454 HD2 HIS 86 HD2 HIS 86 -4.765 -0.283 9.908 455 HE1 HIS 86 HE1 HIS 86 -0.886 1.256 9.055 456 HB2 HIS 86 2HB HIS 86 -4.854 1.393 6.326 457 HB3 HIS 86 3HB HIS 86 -5.944 1.248 7.697 458 H GLY 87 H GLY 87 -4.824 -2.872 7.449 459 HA2 GLY 87 2HA GLY 87 -4.885 -3.703 9.727 460 HA3 GLY 87 3HA GLY 87 -6.335 -2.750 10.048 461 H LYS 88 H LYS 88 -6.623 -4.007 6.997 462 HA LYS 88 HA LYS 88 -8.538 -6.117 7.765 463 HB2 LYS 88 2HB LYS 88 -7.875 -4.507 5.283 464 HB3 LYS 88 3HB LYS 88 -8.870 -5.872 5.224 465 HG2 LYS 88 2HG LYS 88 -10.263 -3.922 5.294 466 HG3 LYS 88 3HG LYS 88 -10.523 -4.826 6.782 467 HD2 LYS 88 2HD LYS 88 -9.531 -3.195 8.126 468 HD3 LYS 88 3HD LYS 88 -8.446 -2.665 6.834 469 HE2 LYS 88 2HE LYS 88 -10.284 -1.632 5.635 470 HE3 LYS 88 3HE LYS 88 -11.407 -2.042 6.929 471 HZ1 LYS 88 3HZ LYS 88 -10.420 0.277 7.013 472 HZ2 LYS 88 1HZ LYS 88 -10.242 -0.578 8.404 473 HZ3 LYS 88 2HZ LYS 88 -8.968 -0.397 7.416 474 H SER 89 H SER 89 -8.176 -8.116 7.359 475 HA SER 89 HA SER 89 -5.470 -9.072 6.937 476 HG SER 89 HG SER 89 -8.578 -10.824 6.607 477 HB2 SER 89 2HB SER 89 -6.452 -11.285 7.459 478 HB3 SER 89 3HB SER 89 -6.781 -10.043 8.670 479 H PHE 90 H PHE 90 -4.694 -8.931 4.820 480 HA PHE 90 HA PHE 90 -6.295 -10.392 2.712 481 HD1 PHE 90 HD2 PHE 90 -3.326 -10.314 0.474 482 HD2 PHE 90 HD1 PHE 90 -6.998 -8.065 0.684 483 HE1 PHE 90 HE2 PHE 90 -3.852 -10.956 -1.872 484 HE2 PHE 90 HE1 PHE 90 -7.488 -8.648 -1.684 485 HZ PHE 90 HZ PHE 90 -5.963 -10.169 -2.911 486 HB2 PHE 90 2HB PHE 90 -5.447 -7.990 2.456 487 HB3 PHE 90 3HB PHE 90 -3.858 -8.704 2.415 488 H ALA 91 H ALA 91 -5.378 -12.132 1.696 489 HA ALA 91 HA ALA 91 -4.324 -14.073 1.414 490 HB1 ALA 91 1HB ALA 91 -2.711 -12.590 0.392 491 HB2 ALA 91 2HB ALA 91 -1.861 -12.372 1.932 492 HB3 ALA 91 3HB ALA 91 -1.881 -13.965 1.138 493 H ASN 92 H ASN 92 -2.683 -12.739 4.313 494 HA ASN 92 HA ASN 92 -3.568 -14.979 5.960 495 HB2 ASN 92 2HB ASN 92 -1.336 -15.727 6.628 496 HB3 ASN 92 3HB ASN 92 -1.533 -15.932 4.889 497 HD21 ASN 92 1HD2 ASN 92 -0.229 -14.610 3.465 498 HD22 ASN 92 2HD2 ASN 92 1.051 -13.579 4.096 499 H GLN 93 H GLN 93 -2.666 -11.653 5.697 500 HA GLN 93 HA GLN 93 -2.856 -11.191 8.577 501 HB2 GLN 93 2HB GLN 93 -0.610 -10.367 8.917 502 HB3 GLN 93 3HB GLN 93 -0.507 -12.014 8.338 503 HG2 GLN 93 2HG GLN 93 -0.068 -11.124 6.050 504 HG3 GLN 93 3HG GLN 93 -0.068 -9.474 6.720 505 HE21 GLN 93 2HE2 GLN 93 1.654 -12.557 6.610 506 HE22 GLN 93 1HE2 GLN 93 3.215 -11.862 7.026 507 HA PRO 94 HA PRO 94 -4.188 -7.419 7.053 508 HB2 PRO 94 2HB PRO 94 -3.725 -5.549 9.069 509 HB3 PRO 94 3HB PRO 94 -4.931 -6.869 9.196 510 HG2 PRO 94 2HG PRO 94 -2.059 -6.877 10.186 511 HG3 PRO 94 3HG PRO 94 -3.543 -7.313 11.103 512 HD2 PRO 94 2HD PRO 94 -1.992 -9.183 9.972 513 HD3 PRO 94 3HD PRO 94 -3.772 -9.328 9.862 514 H LEU 95 H LEU 95 -3.975 -5.627 6.108 515 HA LEU 95 HA LEU 95 -1.464 -4.791 4.905 516 HG LEU 95 HG LEU 95 -2.757 -4.632 2.371 517 HB2 LEU 95 2HB LEU 95 -4.434 -4.183 4.786 518 HB3 LEU 95 3HB LEU 95 -3.329 -3.116 3.980 519 HD11 LEU 95 1HD1 LEU 95 -2.751 -6.853 2.288 520 HD12 LEU 95 2HD1 LEU 95 -1.858 -6.387 3.708 521 HD13 LEU 95 3HD1 LEU 95 -3.506 -7.026 3.927 522 HD21 LEU 95 3HD2 LEU 95 -5.066 -4.262 1.990 523 HD22 LEU 95 1HD2 LEU 95 -4.645 -5.947 1.590 524 HD23 LEU 95 2HD2 LEU 95 -5.500 -5.586 3.113 525 H GLU 96 H GLU 96 -0.321 -2.923 5.068 526 HA GLU 96 HA GLU 96 -1.044 -1.101 7.310 527 HB2 GLU 96 2HB GLU 96 0.779 -2.781 7.677 528 HB3 GLU 96 3HB GLU 96 1.775 -1.902 6.521 529 HG2 GLU 96 2HG GLU 96 1.510 0.146 7.883 530 HG3 GLU 96 3HG GLU 96 0.563 -0.773 9.061 531 H VAL 97 H VAL 97 -2.207 -0.622 5.166 532 HA VAL 97 HA VAL 97 -1.016 1.021 3.141 533 HB VAL 97 HB VAL 97 -3.822 0.788 4.311 534 HG11 VAL 97 1HG1 VAL 97 -3.739 2.995 3.202 535 HG12 VAL 97 2HG1 VAL 97 -3.084 2.226 1.740 536 HG13 VAL 97 3HG1 VAL 97 -4.700 1.845 2.258 537 HG21 VAL 97 3HG2 VAL 97 -2.420 -0.296 1.801 538 HG22 VAL 97 1HG2 VAL 97 -3.239 -1.212 3.092 539 HG23 VAL 97 2HG2 VAL 97 -4.160 -0.287 1.899 540 H VAL 98 H VAL 98 0.169 2.846 3.885 541 HA VAL 98 HA VAL 98 -1.311 4.657 5.713 542 HB VAL 98 HB VAL 98 -0.196 2.485 6.753 543 HG11 VAL 98 1HG1 VAL 98 2.193 4.118 7.411 544 HG12 VAL 98 2HG1 VAL 98 1.778 2.462 7.765 545 HG13 VAL 98 3HG1 VAL 98 2.142 2.877 6.099 546 HG21 VAL 98 3HG2 VAL 98 -0.299 3.550 8.878 547 HG22 VAL 98 1HG2 VAL 98 -0.491 5.125 8.052 548 HG23 VAL 98 2HG2 VAL 98 -1.669 3.793 7.769 549 H TYR 99 H TYR 99 1.621 5.333 6.504 550 HA TYR 99 HA TYR 99 2.265 7.212 4.265 551 HD1 TYR 99 HD1 TYR 99 0.274 8.205 4.784 552 HD2 TYR 99 HD2 TYR 99 2.076 9.096 8.599 553 HE1 TYR 99 HE1 TYR 99 -1.709 9.553 5.395 554 HE2 TYR 99 HE2 TYR 99 0.056 10.423 9.225 555 HH TYR 99 HH TYR 99 -2.009 11.175 8.579 556 HB2 TYR 99 2HB TYR 99 2.884 7.267 7.223 557 HB3 TYR 99 3HB TYR 99 3.334 8.525 6.076 558 H SER 100 H SER 100 2.850 4.371 4.464 559 HA SER 100 HA SER 100 4.308 2.787 5.012 560 HG SER 100 HG SER 100 7.008 2.755 3.427 561 HB2 SER 100 2HB SER 100 4.220 2.830 2.730 562 HB3 SER 100 3HB SER 100 5.386 4.116 2.686 563 H LYS 101 H LYS 101 5.142 2.794 6.973 564 HA LYS 101 HA LYS 101 7.857 3.806 7.588 565 HB2 LYS 101 2HB LYS 101 6.141 1.693 8.957 566 HB3 LYS 101 3HB LYS 101 7.609 2.441 9.615 567 HG2 LYS 101 2HG LYS 101 6.500 4.629 9.682 568 HG3 LYS 101 3HG LYS 101 5.000 3.900 9.086 569 HD2 LYS 101 2HD LYS 101 6.351 3.123 11.713 570 HD3 LYS 101 3HD LYS 101 5.053 4.304 11.543 571 HE2 LYS 101 2HE LYS 101 3.790 2.459 12.080 572 HE3 LYS 101 3HE LYS 101 3.761 2.384 10.314 573 HZ1 LYS 101 3HZ LYS 101 5.275 0.669 12.192 574 HZ2 LYS 101 1HZ LYS 101 4.342 0.252 10.865 575 HZ3 LYS 101 2HZ LYS 101 5.854 0.860 10.722 576 H LEU 102 H LEU 102 9.383 1.909 8.406 577 HA LEU 102 HA LEU 102 9.036 -0.648 7.130 578 HG LEU 102 HG LEU 102 11.995 -1.423 6.298 579 HB2 LEU 102 2HB LEU 102 10.005 0.626 5.237 580 HB3 LEU 102 3HB LEU 102 11.425 0.993 6.204 581 HD11 LEU 102 1HD1 LEU 102 9.528 -1.776 4.534 582 HD12 LEU 102 2HD1 LEU 102 10.785 -3.009 4.777 583 HD13 LEU 102 3HD1 LEU 102 9.796 -2.488 6.143 584 HD21 LEU 102 3HD2 LEU 102 12.601 -1.679 3.940 585 HD22 LEU 102 1HD2 LEU 102 11.429 -0.424 3.479 586 HD23 LEU 102 2HD2 LEU 102 12.849 -0.007 4.461 587 HA PRO 103 HA PRO 103 12.671 -1.144 10.121 588 HB2 PRO 103 2HB PRO 103 13.837 0.877 11.504 589 HB3 PRO 103 3HB PRO 103 14.209 0.572 9.773 590 HG2 PRO 103 2HG PRO 103 12.215 2.565 10.913 591 HG3 PRO 103 3HG PRO 103 13.527 2.875 9.729 592 HD2 PRO 103 2HD PRO 103 10.971 2.398 8.962 593 HD3 PRO 103 3HD PRO 103 12.360 1.799 8.005 594 H ALA 104 H ALA 104 9.841 0.501 10.827 595 HA ALA 104 HA ALA 104 9.419 -0.707 13.429 596 HB1 ALA 104 1HB ALA 104 10.568 1.394 14.087 597 HB2 ALA 104 2HB ALA 104 9.438 2.337 13.087 598 HB3 ALA 104 3HB ALA 104 8.852 1.469 14.517 Start of MODEL 17 1 H GLU 28 H GLU 28 6.952 14.634 11.244 2 HA GLU 28 HA GLU 28 4.720 14.720 9.313 3 HB2 GLU 28 2HB GLU 28 7.528 15.888 9.099 4 HB3 GLU 28 3HB GLU 28 6.504 15.546 7.709 5 HG2 GLU 28 2HG GLU 28 6.219 17.818 8.088 6 HG3 GLU 28 3HG GLU 28 4.738 17.063 8.653 7 H LEU 29 H LEU 29 5.061 13.517 7.388 8 HA LEU 29 HA LEU 29 7.037 11.355 7.278 9 HG LEU 29 HG LEU 29 4.867 8.531 8.416 10 HB2 LEU 29 2HB LEU 29 4.598 10.908 8.623 11 HB3 LEU 29 3HB LEU 29 4.230 10.391 7.020 12 HD11 LEU 29 1HD1 LEU 29 5.704 8.282 6.081 13 HD12 LEU 29 2HD1 LEU 29 7.274 8.954 6.590 14 HD13 LEU 29 3HD1 LEU 29 6.658 7.424 7.256 15 HD21 LEU 29 3HD2 LEU 29 7.550 9.854 8.862 16 HD22 LEU 29 1HD2 LEU 29 6.215 9.776 10.039 17 HD23 LEU 29 2HD2 LEU 29 6.999 8.283 9.487 18 H SER 30 H SER 30 6.107 9.905 5.213 19 HA SER 30 HA SER 30 6.249 11.413 2.861 20 HG SER 30 HG SER 30 6.544 7.930 3.751 21 HB2 SER 30 2HB SER 30 4.751 8.797 3.220 22 HB3 SER 30 3HB SER 30 5.534 9.388 1.748 23 H ASN 31 H ASN 31 3.411 10.858 4.835 24 HA ASN 31 HA ASN 31 1.212 11.242 4.674 25 HB2 ASN 31 2HB ASN 31 1.727 13.360 2.640 26 HB3 ASN 31 3HB ASN 31 0.426 13.266 3.804 27 HD21 ASN 31 2HD2 ASN 31 3.019 15.063 3.190 28 HD22 ASN 31 1HD2 ASN 31 3.567 15.393 4.828 29 H THR 32 H THR 32 2.580 9.509 2.334 30 HA THR 32 HA THR 32 0.176 9.312 0.565 31 HB THR 32 HB THR 32 1.691 9.540 -1.386 32 HG1 THR 32 1HG THR 32 3.563 10.727 0.310 33 HG21 THR 32 1HG2 THR 32 1.808 12.021 0.324 34 HG22 THR 32 2HG2 THR 32 1.951 11.888 -1.436 35 HG23 THR 32 3HG2 THR 32 0.413 11.498 -0.643 36 H ARG 33 H ARG 33 1.521 7.000 2.379 37 HA ARG 33 HA ARG 33 2.125 5.231 0.049 38 HE ARG 33 HE ARG 33 6.888 6.346 -1.239 39 HB2 ARG 33 2HB ARG 33 4.112 5.727 2.240 40 HB3 ARG 33 3HB ARG 33 4.109 4.289 1.227 41 HG2 ARG 33 2HG ARG 33 4.830 5.225 -0.570 42 HG3 ARG 33 3HG ARG 33 4.260 6.883 -0.126 43 HD2 ARG 33 2HD ARG 33 6.014 7.061 1.518 44 HD3 ARG 33 3HD ARG 33 6.572 5.412 1.182 45 HH11 ARG 33 2HH1 ARG 33 7.692 8.313 1.603 46 HH12 ARG 33 1HH1 ARG 33 8.812 9.252 0.658 47 HH21 ARG 33 1HH2 ARG 33 8.146 7.602 -2.286 48 HH22 ARG 33 2HH2 ARG 33 9.081 8.872 -1.507 49 H LEU 34 H LEU 34 1.595 3.334 0.135 50 HA LEU 34 HA LEU 34 0.436 2.315 2.645 51 HG LEU 34 HG LEU 34 -2.355 2.837 0.157 52 HB2 LEU 34 2HB LEU 34 -0.242 1.375 -0.075 53 HB3 LEU 34 3HB LEU 34 -1.217 1.240 1.338 54 HD11 LEU 34 1HD1 LEU 34 -2.384 4.884 1.195 55 HD12 LEU 34 2HD1 LEU 34 -1.703 3.839 2.423 56 HD13 LEU 34 3HD1 LEU 34 -0.663 4.934 1.497 57 HD21 LEU 34 3HD2 LEU 34 0.214 3.462 -1.072 58 HD22 LEU 34 1HD2 LEU 34 -1.386 3.457 -1.742 59 HD23 LEU 34 2HD2 LEU 34 -0.783 4.875 -0.850 60 H PHE 35 H PHE 35 1.548 0.952 3.657 61 HA PHE 35 HA PHE 35 3.750 -0.623 2.468 62 HD1 PHE 35 HD1 PHE 35 3.460 -2.358 5.845 63 HD2 PHE 35 HD2 PHE 35 6.577 0.321 4.546 64 HE1 PHE 35 HE1 PHE 35 5.145 -3.803 6.877 65 HE2 PHE 35 HE2 PHE 35 8.255 -1.157 5.526 66 HZ PHE 35 HZ PHE 35 7.566 -3.241 6.713 67 HB2 PHE 35 2HB PHE 35 4.334 0.941 4.147 68 HB3 PHE 35 3HB PHE 35 3.231 0.550 5.228 69 H VAL 36 H VAL 36 2.892 -2.319 1.684 70 HA VAL 36 HA VAL 36 0.689 -3.796 3.088 71 HB VAL 36 HB VAL 36 1.056 -2.610 0.338 72 HG11 VAL 36 1HG1 VAL 36 0.160 -4.333 -0.471 73 HG12 VAL 36 2HG1 VAL 36 -0.820 -4.749 0.990 74 HG13 VAL 36 3HG1 VAL 36 -1.279 -3.415 -0.111 75 HG21 VAL 36 3HG2 VAL 36 -0.982 -1.377 0.878 76 HG22 VAL 36 1HG2 VAL 36 -1.385 -2.524 2.203 77 HG23 VAL 36 2HG2 VAL 36 -0.091 -1.326 2.377 78 H ARG 37 H ARG 37 1.754 -5.459 3.763 79 HA ARG 37 HA ARG 37 3.205 -7.228 1.825 80 HE ARG 37 HE ARG 37 4.493 -6.427 7.645 81 HB2 ARG 37 2HB ARG 37 4.939 -7.613 3.472 82 HB3 ARG 37 3HB ARG 37 4.845 -5.904 3.068 83 HG2 ARG 37 2HG ARG 37 4.016 -5.326 5.181 84 HG3 ARG 37 3HG ARG 37 3.372 -6.945 5.505 85 HD2 ARG 37 2HD ARG 37 5.632 -7.868 5.703 86 HD3 ARG 37 3HD ARG 37 6.335 -6.293 5.313 87 HH11 ARG 37 1HH1 ARG 37 7.898 -6.442 6.698 88 HH12 ARG 37 2HH1 ARG 37 8.369 -5.850 8.286 89 HH21 ARG 37 1HH2 ARG 37 5.311 -5.664 9.633 90 HH22 ARG 37 2HH2 ARG 37 7.057 -5.426 9.754 91 HA PRO 38 HA PRO 38 0.751 -9.922 4.917 92 HB2 PRO 38 2HB PRO 38 -1.779 -10.189 4.033 93 HB3 PRO 38 3HB PRO 38 -1.311 -8.743 4.986 94 HG2 PRO 38 2HG PRO 38 -1.362 -8.979 1.977 95 HG3 PRO 38 3HG PRO 38 -2.268 -7.835 2.983 96 HD2 PRO 38 2HD PRO 38 0.147 -7.129 1.977 97 HD3 PRO 38 3HD PRO 38 -0.216 -6.719 3.684 98 H PHE 39 H PHE 39 1.187 -9.697 1.535 99 HA PHE 39 HA PHE 39 0.181 -12.389 0.902 100 HD1 PHE 39 HD1 PHE 39 1.728 -8.469 -0.378 101 HD2 PHE 39 HD2 PHE 39 -2.274 -10.146 -0.548 102 HE1 PHE 39 HE1 PHE 39 0.805 -6.271 -0.671 103 HE2 PHE 39 HE2 PHE 39 -3.188 -7.856 -0.735 104 HZ PHE 39 HZ PHE 39 -1.682 -5.925 -0.899 105 HB2 PHE 39 2HB PHE 39 1.247 -10.814 -1.294 106 HB3 PHE 39 3HB PHE 39 -0.327 -11.548 -1.103 107 HA PRO 40 HA PRO 40 4.347 -13.718 -0.225 108 HB2 PRO 40 2HB PRO 40 3.830 -15.820 -1.934 109 HB3 PRO 40 3HB PRO 40 3.411 -15.898 -0.206 110 HG2 PRO 40 2HG PRO 40 1.606 -15.119 -2.530 111 HG3 PRO 40 3HG PRO 40 1.279 -16.328 -1.245 112 HD2 PRO 40 2HD PRO 40 0.374 -13.740 -1.142 113 HD3 PRO 40 3HD PRO 40 0.825 -14.652 0.323 114 H LEU 41 H LEU 41 5.370 -14.485 -2.553 115 HA LEU 41 HA LEU 41 5.926 -12.267 -4.127 116 HG LEU 41 HG LEU 41 8.268 -15.252 -4.722 117 HB2 LEU 41 2HB LEU 41 5.812 -15.149 -5.114 118 HB3 LEU 41 3HB LEU 41 6.770 -13.844 -5.769 119 HD11 LEU 41 1HD1 LEU 41 8.657 -12.869 -4.232 120 HD12 LEU 41 2HD1 LEU 41 7.775 -13.061 -2.687 121 HD13 LEU 41 3HD1 LEU 41 9.296 -13.934 -2.957 122 HD21 LEU 41 3HD2 LEU 41 6.863 -15.207 -2.034 123 HD22 LEU 41 1HD2 LEU 41 6.587 -16.476 -3.264 124 HD23 LEU 41 2HD2 LEU 41 8.200 -16.210 -2.587 125 H ASP 42 H ASP 42 3.184 -14.411 -4.408 126 HA ASP 42 HA ASP 42 2.476 -13.952 -7.100 127 HB2 ASP 42 2HB ASP 42 0.724 -14.860 -4.783 128 HB3 ASP 42 3HB ASP 42 0.407 -15.131 -6.492 129 H VAL 43 H VAL 43 1.921 -11.745 -4.442 130 HA VAL 43 HA VAL 43 -0.405 -10.441 -5.684 131 HB VAL 43 HB VAL 43 0.197 -10.084 -3.292 132 HG11 VAL 43 1HG1 VAL 43 1.895 -8.413 -2.689 133 HG12 VAL 43 2HG1 VAL 43 2.653 -9.780 -3.502 134 HG13 VAL 43 3HG1 VAL 43 2.388 -8.247 -4.365 135 HG21 VAL 43 3HG2 VAL 43 -0.045 -7.561 -4.995 136 HG22 VAL 43 1HG2 VAL 43 -1.371 -8.609 -4.463 137 HG23 VAL 43 2HG2 VAL 43 -0.424 -7.708 -3.284 138 H GLN 44 H GLN 44 -0.338 -8.522 -6.995 139 HA GLN 44 HA GLN 44 2.179 -7.710 -8.235 140 HB2 GLN 44 2HB GLN 44 0.004 -9.083 -9.881 141 HB3 GLN 44 3HB GLN 44 1.398 -8.270 -10.557 142 HG2 GLN 44 2HG GLN 44 1.589 -10.787 -8.854 143 HG3 GLN 44 3HG GLN 44 1.441 -10.774 -10.590 144 HE21 GLN 44 1HE2 GLN 44 3.694 -10.387 -7.953 145 HE22 GLN 44 2HE2 GLN 44 5.105 -10.269 -9.004 146 H GLU 45 H GLU 45 1.673 -6.057 -10.020 147 HA GLU 45 HA GLU 45 0.177 -3.970 -8.888 148 HB2 GLU 45 2HB GLU 45 1.959 -3.992 -10.864 149 HB3 GLU 45 3HB GLU 45 0.518 -4.113 -11.877 150 HG2 GLU 45 2HG GLU 45 -0.261 -2.072 -10.245 151 HG3 GLU 45 3HG GLU 45 1.474 -1.880 -10.101 152 H SER 46 H SER 46 -1.028 -6.557 -11.050 153 HA SER 46 HA SER 46 -3.572 -5.428 -11.650 154 HG SER 46 HG SER 46 -2.327 -8.893 -10.759 155 HB2 SER 46 2HB SER 46 -4.153 -8.017 -11.754 156 HB3 SER 46 3HB SER 46 -3.111 -7.244 -12.945 157 H GLU 47 H GLU 47 -2.463 -7.048 -8.643 158 HA GLU 47 HA GLU 47 -5.175 -7.598 -7.635 159 HB2 GLU 47 2HB GLU 47 -2.255 -8.075 -6.896 160 HB3 GLU 47 3HB GLU 47 -3.438 -8.082 -5.633 161 HG2 GLU 47 2HG GLU 47 -3.003 -10.339 -6.510 162 HG3 GLU 47 3HG GLU 47 -4.686 -9.850 -6.741 163 H LEU 48 H LEU 48 -2.332 -5.540 -7.142 164 HA LEU 48 HA LEU 48 -3.468 -3.856 -5.107 165 HG LEU 48 HG LEU 48 -1.229 -5.355 -5.066 166 HB2 LEU 48 2HB LEU 48 -1.218 -3.444 -7.104 167 HB3 LEU 48 3HB LEU 48 -1.538 -2.447 -5.789 168 HD11 LEU 48 1HD1 LEU 48 1.321 -3.843 -5.499 169 HD12 LEU 48 2HD1 LEU 48 1.060 -5.565 -5.273 170 HD13 LEU 48 3HD1 LEU 48 0.641 -4.804 -6.814 171 HD21 LEU 48 3HD2 LEU 48 -1.441 -3.655 -3.382 172 HD22 LEU 48 1HD2 LEU 48 0.158 -4.412 -3.336 173 HD23 LEU 48 2HD2 LEU 48 -0.034 -2.764 -4.061 174 H ASN 49 H ASN 49 -3.562 -3.799 -8.693 175 HA ASN 49 HA ASN 49 -5.018 -1.305 -8.881 176 HB2 ASN 49 2HB ASN 49 -4.548 -3.586 -10.772 177 HB3 ASN 49 3HB ASN 49 -5.960 -2.599 -11.068 178 HD21 ASN 49 2HD2 ASN 49 -2.461 -2.345 -10.574 179 HD22 ASN 49 1HD2 ASN 49 -2.236 -1.018 -11.704 180 H GLU 50 H GLU 50 -6.238 -4.683 -8.551 181 HA GLU 50 HA GLU 50 -9.016 -3.996 -8.525 182 HB2 GLU 50 2HB GLU 50 -7.366 -6.234 -7.394 183 HB3 GLU 50 3HB GLU 50 -9.054 -6.109 -6.931 184 HG2 GLU 50 2HG GLU 50 -8.029 -6.222 -9.813 185 HG3 GLU 50 3HG GLU 50 -8.560 -7.625 -8.897 186 H ILE 51 H ILE 51 -6.652 -3.984 -5.858 187 HA ILE 51 HA ILE 51 -8.695 -3.401 -3.838 188 HB ILE 51 HB ILE 51 -5.705 -3.594 -3.882 189 HG12 ILE 51 2HG1 ILE 51 -7.657 -5.481 -2.520 190 HG13 ILE 51 3HG1 ILE 51 -7.116 -5.701 -4.174 191 HG21 ILE 51 1HG2 ILE 51 -6.272 -2.046 -2.022 192 HG22 ILE 51 2HG2 ILE 51 -7.497 -3.196 -1.447 193 HG23 ILE 51 3HG2 ILE 51 -5.766 -3.594 -1.357 194 HD11 ILE 51 3HD1 ILE 51 -5.393 -5.818 -1.678 195 HD12 ILE 51 1HD1 ILE 51 -5.700 -7.077 -2.887 196 HD13 ILE 51 2HD1 ILE 51 -4.710 -5.682 -3.318 197 H PHE 52 H PHE 52 -6.193 -1.477 -5.511 198 HA PHE 52 HA PHE 52 -6.740 0.887 -3.835 199 HD1 PHE 52 HD2 PHE 52 -4.519 -1.915 -4.110 200 HD2 PHE 52 HD1 PHE 52 -3.658 2.073 -2.768 201 HE1 PHE 52 HE2 PHE 52 -3.094 -2.856 -2.364 202 HE2 PHE 52 HE1 PHE 52 -2.086 1.117 -1.126 203 HZ PHE 52 HZ PHE 52 -1.654 -1.329 -1.067 204 HB2 PHE 52 2HB PHE 52 -4.523 0.237 -5.697 205 HB3 PHE 52 3HB PHE 52 -4.684 1.768 -4.869 206 H GLY 53 H GLY 53 -7.241 -0.214 -7.118 207 HA2 GLY 53 2HA GLY 53 -7.576 2.149 -8.577 208 HA3 GLY 53 3HA GLY 53 -8.502 0.662 -8.796 209 HA PRO 54 HA PRO 54 -12.081 2.547 -6.668 210 HB2 PRO 54 2HB PRO 54 -11.417 1.761 -3.838 211 HB3 PRO 54 3HB PRO 54 -12.950 1.554 -4.738 212 HG2 PRO 54 2HG PRO 54 -11.318 -0.565 -4.330 213 HG3 PRO 54 3HG PRO 54 -12.054 -0.321 -5.954 214 HD2 PRO 54 2HD PRO 54 -9.339 0.586 -4.973 215 HD3 PRO 54 3HD PRO 54 -9.664 -0.431 -6.397 216 H PHE 55 H PHE 55 -8.981 3.210 -5.028 217 HA PHE 55 HA PHE 55 -9.918 5.644 -3.707 218 HD1 PHE 55 HD1 PHE 55 -9.959 3.686 -2.336 219 HD2 PHE 55 HD2 PHE 55 -5.719 3.468 -2.972 220 HE1 PHE 55 HE1 PHE 55 -9.903 1.508 -1.149 221 HE2 PHE 55 HE2 PHE 55 -5.626 1.453 -1.425 222 HZ PHE 55 HZ PHE 55 -7.741 0.434 -0.648 223 HB2 PHE 55 2HB PHE 55 -7.018 4.913 -4.182 224 HB3 PHE 55 3HB PHE 55 -7.700 5.876 -2.928 225 H GLY 56 H GLY 56 -7.757 4.804 -6.382 226 HA2 GLY 56 2HA GLY 56 -8.342 5.882 -8.470 227 HA3 GLY 56 3HA GLY 56 -8.333 7.435 -7.635 228 HA PRO 57 HA PRO 57 -4.299 8.027 -9.024 229 HB2 PRO 57 2HB PRO 57 -3.287 9.949 -7.437 230 HB3 PRO 57 3HB PRO 57 -4.886 10.145 -8.214 231 HG2 PRO 57 2HG PRO 57 -4.284 9.155 -5.426 232 HG3 PRO 57 3HG PRO 57 -5.401 10.484 -5.887 233 HD2 PRO 57 2HD PRO 57 -6.238 7.875 -5.472 234 HD3 PRO 57 3HD PRO 57 -7.049 8.976 -6.598 235 H MET 58 H MET 58 -4.103 5.544 -7.910 236 HA MET 58 HA MET 58 -1.707 4.988 -6.299 237 HB2 MET 58 2HB MET 58 -1.831 2.824 -7.288 238 HB3 MET 58 3HB MET 58 -3.257 3.298 -6.341 239 HG2 MET 58 2HG MET 58 -4.480 3.810 -8.405 240 HG3 MET 58 3HG MET 58 -3.089 3.297 -9.370 241 HE1 MET 58 3HE MET 58 -2.753 0.818 -6.733 242 HE2 MET 58 1HE MET 58 -3.133 -0.550 -7.800 243 HE3 MET 58 2HE MET 58 -2.010 0.704 -8.357 244 H LYS 59 H LYS 59 -0.702 6.769 -7.269 245 HA LYS 59 HA LYS 59 0.511 6.959 -9.750 246 HB2 LYS 59 2HB LYS 59 0.259 8.832 -8.467 247 HB3 LYS 59 3HB LYS 59 0.824 8.047 -7.019 248 HG2 LYS 59 2HG LYS 59 2.688 8.940 -9.211 249 HG3 LYS 59 3HG LYS 59 2.219 9.846 -7.776 250 HD2 LYS 59 2HD LYS 59 2.984 7.509 -6.572 251 HD3 LYS 59 3HD LYS 59 4.016 7.500 -7.994 252 HE2 LYS 59 2HE LYS 59 4.090 10.124 -7.044 253 HE3 LYS 59 3HE LYS 59 4.032 9.115 -5.580 254 HZ1 LYS 59 3HZ LYS 59 5.976 8.000 -7.308 255 HZ2 LYS 59 1HZ LYS 59 6.283 9.608 -7.191 256 HZ3 LYS 59 2HZ LYS 59 6.191 8.677 -5.848 257 H GLU 60 H GLU 60 1.625 5.056 -6.972 258 HA GLU 60 HA GLU 60 3.344 3.558 -8.761 259 HB2 GLU 60 2HB GLU 60 4.531 5.586 -6.998 260 HB3 GLU 60 3HB GLU 60 5.027 3.987 -6.481 261 HG2 GLU 60 2HG GLU 60 5.927 3.489 -8.686 262 HG3 GLU 60 3HG GLU 60 5.297 5.009 -9.333 263 H VAL 61 H VAL 61 4.249 1.758 -7.896 264 HA VAL 61 HA VAL 61 2.866 0.527 -5.613 265 HB VAL 61 HB VAL 61 2.644 -0.850 -8.331 266 HG11 VAL 61 1HG1 VAL 61 2.132 -1.845 -6.014 267 HG12 VAL 61 2HG1 VAL 61 0.650 -0.856 -6.053 268 HG13 VAL 61 3HG1 VAL 61 0.908 -2.053 -7.312 269 HG21 VAL 61 3HG2 VAL 61 1.518 1.217 -8.916 270 HG22 VAL 61 1HG2 VAL 61 0.347 -0.080 -8.694 271 HG23 VAL 61 2HG2 VAL 61 0.539 1.144 -7.429 272 H LYS 62 H LYS 62 5.065 0.782 -4.958 273 HA LYS 62 HA LYS 62 7.270 -0.371 -6.472 274 HB2 LYS 62 2HB LYS 62 7.166 0.447 -3.550 275 HB3 LYS 62 3HB LYS 62 8.601 0.274 -4.554 276 HG2 LYS 62 2HG LYS 62 7.646 2.201 -5.985 277 HG3 LYS 62 3HG LYS 62 6.376 2.367 -4.770 278 HD2 LYS 62 2HD LYS 62 7.880 3.962 -4.034 279 HD3 LYS 62 3HD LYS 62 8.306 2.571 -3.043 280 HE2 LYS 62 2HE LYS 62 10.409 3.205 -3.774 281 HE3 LYS 62 3HE LYS 62 9.980 2.017 -5.020 282 HZ1 LYS 62 3HZ LYS 62 9.774 4.983 -5.226 283 HZ2 LYS 62 1HZ LYS 62 10.797 4.032 -6.065 284 HZ3 LYS 62 2HZ LYS 62 9.183 4.003 -6.379 285 H ILE 63 H ILE 63 7.318 -2.533 -6.738 286 HA ILE 63 HA ILE 63 6.232 -4.297 -4.604 287 HB ILE 63 HB ILE 63 5.966 -4.476 -7.594 288 HG12 ILE 63 2HG1 ILE 63 3.780 -4.737 -5.492 289 HG13 ILE 63 3HG1 ILE 63 4.354 -3.150 -5.938 290 HG21 ILE 63 1HG2 ILE 63 5.314 -6.638 -5.529 291 HG22 ILE 63 2HG2 ILE 63 4.746 -6.647 -7.216 292 HG23 ILE 63 3HG2 ILE 63 6.467 -6.770 -6.878 293 HD11 ILE 63 3HD1 ILE 63 3.842 -3.686 -8.368 294 HD12 ILE 63 1HD1 ILE 63 3.041 -5.175 -7.777 295 HD13 ILE 63 2HD1 ILE 63 2.453 -3.589 -7.300 296 H LEU 64 H LEU 64 7.343 -5.646 -3.722 297 HA LEU 64 HA LEU 64 9.945 -6.677 -4.734 298 HG LEU 64 HG LEU 64 11.261 -4.551 -3.918 299 HB2 LEU 64 2HB LEU 64 9.187 -5.647 -1.991 300 HB3 LEU 64 3HB LEU 64 10.694 -6.442 -2.393 301 HD11 LEU 64 1HD1 LEU 64 8.705 -3.325 -2.950 302 HD12 LEU 64 2HD1 LEU 64 10.130 -2.304 -3.290 303 HD13 LEU 64 3HD1 LEU 64 9.473 -3.274 -4.564 304 HD21 LEU 64 3HD2 LEU 64 10.746 -4.160 -1.011 305 HD22 LEU 64 1HD2 LEU 64 12.218 -4.751 -1.804 306 HD23 LEU 64 2HD2 LEU 64 11.754 -3.048 -1.999 307 H ASN 65 H ASN 65 10.523 -8.412 -2.834 308 HA ASN 65 HA ASN 65 9.232 -10.754 -3.525 309 HB2 ASN 65 2HB ASN 65 10.863 -10.282 -1.056 310 HB3 ASN 65 3HB ASN 65 10.756 -11.800 -1.937 311 HD21 ASN 65 1HD2 ASN 65 12.744 -9.126 -1.495 312 HD22 ASN 65 2HD2 ASN 65 13.665 -9.275 -2.983 313 H GLY 66 H GLY 66 6.945 -9.740 -2.772 314 HA2 GLY 66 2HA GLY 66 5.159 -10.827 -1.547 315 HA3 GLY 66 3HA GLY 66 6.144 -10.902 -0.105 316 H PHE 67 H PHE 67 6.817 -7.957 -1.641 317 HA PHE 67 HA PHE 67 4.985 -6.557 0.284 318 HD1 PHE 67 HD1 PHE 67 6.260 -8.009 1.891 319 HD2 PHE 67 HD2 PHE 67 9.755 -5.911 0.512 320 HE1 PHE 67 HE1 PHE 67 7.668 -9.439 3.322 321 HE2 PHE 67 HE2 PHE 67 11.182 -7.384 1.902 322 HZ PHE 67 HZ PHE 67 10.148 -9.152 3.320 323 HB2 PHE 67 2HB PHE 67 7.658 -5.455 -0.483 324 HB3 PHE 67 3HB PHE 67 6.683 -5.116 0.916 325 H ALA 68 H ALA 68 4.082 -4.668 -0.286 326 HA ALA 68 HA ALA 68 4.728 -3.328 -2.881 327 HB1 ALA 68 1HB ALA 68 1.974 -3.839 -1.748 328 HB2 ALA 68 2HB ALA 68 2.378 -2.886 -3.185 329 HB3 ALA 68 3HB ALA 68 2.669 -4.638 -3.176 330 H PHE 69 H PHE 69 5.334 -1.360 -2.510 331 HA PHE 69 HA PHE 69 4.132 0.099 -0.219 332 HD1 PHE 69 HD2 PHE 69 6.220 -0.359 1.874 333 HD2 PHE 69 HD1 PHE 69 8.214 -0.612 -1.936 334 HE1 PHE 69 HE2 PHE 69 7.637 -2.263 2.716 335 HE2 PHE 69 HE1 PHE 69 9.643 -2.386 -1.073 336 HZ PHE 69 HZ PHE 69 9.348 -3.310 1.155 337 HB2 PHE 69 2HB PHE 69 6.643 1.095 -1.540 338 HB3 PHE 69 3HB PHE 69 6.020 1.459 0.056 339 H VAL 70 H VAL 70 2.336 0.435 -1.341 340 HA VAL 70 HA VAL 70 2.377 1.672 -4.005 341 HB VAL 70 HB VAL 70 -0.032 1.562 -2.190 342 HG11 VAL 70 1HG1 VAL 70 -1.243 1.257 -4.248 343 HG12 VAL 70 2HG1 VAL 70 -0.234 2.719 -4.461 344 HG13 VAL 70 3HG1 VAL 70 0.251 1.125 -5.172 345 HG21 VAL 70 3HG2 VAL 70 0.733 -0.718 -2.266 346 HG22 VAL 70 1HG2 VAL 70 -0.529 -0.556 -3.515 347 HG23 VAL 70 2HG2 VAL 70 1.188 -0.492 -4.002 348 H GLU 71 H GLU 71 1.815 3.845 -4.468 349 HA GLU 71 HA GLU 71 2.478 5.756 -2.269 350 HB2 GLU 71 2HB GLU 71 4.582 4.822 -3.421 351 HB3 GLU 71 3HB GLU 71 4.009 5.579 -4.893 352 HG2 GLU 71 2HG GLU 71 4.086 7.775 -3.933 353 HG3 GLU 71 3HG GLU 71 4.370 7.134 -2.327 354 H PHE 72 H PHE 72 1.680 7.733 -2.638 355 HA PHE 72 HA PHE 72 0.189 8.227 -5.170 356 HD1 PHE 72 HD2 PHE 72 -1.412 6.597 -4.989 357 HD2 PHE 72 HD1 PHE 72 -1.878 7.966 -0.954 358 HE1 PHE 72 HE2 PHE 72 -2.882 4.658 -4.507 359 HE2 PHE 72 HE1 PHE 72 -3.349 6.007 -0.481 360 HZ PHE 72 HZ PHE 72 -3.844 4.370 -2.237 361 HB2 PHE 72 2HB PHE 72 -0.470 9.167 -2.372 362 HB3 PHE 72 3HB PHE 72 -1.447 9.393 -3.805 363 H GLU 73 H GLU 73 -0.252 10.482 -5.655 364 HA GLU 73 HA GLU 73 1.957 12.350 -4.904 365 HB2 GLU 73 2HB GLU 73 1.424 13.579 -6.949 366 HB3 GLU 73 3HB GLU 73 1.967 11.939 -7.239 367 HG2 GLU 73 2HG GLU 73 -0.442 11.234 -7.550 368 HG3 GLU 73 3HG GLU 73 -0.922 12.915 -7.340 369 H GLU 74 H GLU 74 -0.742 11.574 -3.589 370 HA GLU 74 HA GLU 74 -1.767 14.259 -2.907 371 HB2 GLU 74 2HB GLU 74 -2.983 13.627 -4.933 372 HB3 GLU 74 3HB GLU 74 -3.318 12.022 -4.296 373 HG2 GLU 74 2HG GLU 74 -5.294 13.465 -4.223 374 HG3 GLU 74 3HG GLU 74 -4.805 12.904 -2.636 375 H ALA 75 H ALA 75 -2.589 14.313 -0.820 376 HA ALA 75 HA ALA 75 -2.102 11.928 0.845 377 HB1 ALA 75 1HB ALA 75 -2.694 14.814 1.595 378 HB2 ALA 75 2HB ALA 75 -2.274 13.500 2.717 379 HB3 ALA 75 3HB ALA 75 -1.083 14.050 1.530 380 H GLU 76 H GLU 76 -4.769 13.595 -0.557 381 HA GLU 76 HA GLU 76 -6.830 12.481 1.108 382 HB2 GLU 76 2HB GLU 76 -6.622 13.718 -1.617 383 HB3 GLU 76 3HB GLU 76 -8.024 12.705 -1.352 384 HG2 GLU 76 2HG GLU 76 -7.060 14.777 0.626 385 HG3 GLU 76 3HG GLU 76 -8.182 15.214 -0.685 386 H SER 77 H SER 77 -5.095 11.074 -1.692 387 HA SER 77 HA SER 77 -6.736 8.688 -1.747 388 HG SER 77 HG SER 77 -4.365 6.867 -2.978 389 HB2 SER 77 2HB SER 77 -5.345 9.353 -3.574 390 HB3 SER 77 3HB SER 77 -3.875 8.952 -2.684 391 H ALA 78 H ALA 78 -3.738 9.584 0.045 392 HA ALA 78 HA ALA 78 -3.480 7.011 1.317 393 HB1 ALA 78 1HB ALA 78 -1.997 8.179 2.872 394 HB2 ALA 78 2HB ALA 78 -1.657 8.539 1.175 395 HB3 ALA 78 3HB ALA 78 -2.506 9.746 2.171 396 H ALA 79 H ALA 79 -5.108 10.025 2.494 397 HA ALA 79 HA ALA 79 -6.116 9.030 4.920 398 HB1 ALA 79 1HB ALA 79 -7.790 10.810 4.698 399 HB2 ALA 79 2HB ALA 79 -6.183 11.380 4.211 400 HB3 ALA 79 3HB ALA 79 -7.401 10.990 2.974 401 H LYS 80 H LYS 80 -7.756 8.856 1.689 402 HA LYS 80 HA LYS 80 -9.872 7.240 2.855 403 HB2 LYS 80 2HB LYS 80 -10.790 6.992 0.681 404 HB3 LYS 80 3HB LYS 80 -10.238 8.654 0.874 405 HG2 LYS 80 2HG LYS 80 -8.139 7.917 -0.414 406 HG3 LYS 80 3HG LYS 80 -8.944 6.386 -0.704 407 HD2 LYS 80 2HD LYS 80 -9.443 7.544 -2.648 408 HD3 LYS 80 3HD LYS 80 -10.886 7.868 -1.712 409 HE2 LYS 80 2HE LYS 80 -8.538 9.724 -2.326 410 HE3 LYS 80 3HE LYS 80 -10.173 9.835 -2.944 411 HZ1 LYS 80 3HZ LYS 80 -9.939 11.444 -1.166 412 HZ2 LYS 80 1HZ LYS 80 -10.900 10.271 -0.590 413 HZ3 LYS 80 2HZ LYS 80 -9.313 10.347 -0.149 414 H ALA 81 H ALA 81 -6.913 6.383 1.077 415 HA ALA 81 HA ALA 81 -7.456 3.647 0.749 416 HB1 ALA 81 1HB ALA 81 -4.769 4.933 1.314 417 HB2 ALA 81 2HB ALA 81 -5.033 3.287 0.694 418 HB3 ALA 81 3HB ALA 81 -5.529 4.669 -0.271 419 H ILE 82 H ILE 82 -5.977 5.413 3.542 420 HA ILE 82 HA ILE 82 -5.709 3.322 5.360 421 HB ILE 82 HB ILE 82 -6.440 6.207 5.887 422 HG12 ILE 82 2HG1 ILE 82 -3.748 5.101 6.595 423 HG13 ILE 82 3HG1 ILE 82 -4.050 5.398 4.889 424 HG21 ILE 82 1HG2 ILE 82 -7.100 4.924 7.873 425 HG22 ILE 82 2HG2 ILE 82 -5.493 4.164 7.929 426 HG23 ILE 82 3HG2 ILE 82 -5.681 5.898 8.218 427 HD11 ILE 82 3HD1 ILE 82 -4.735 7.710 5.468 428 HD12 ILE 82 1HD1 ILE 82 -4.323 7.425 7.153 429 HD13 ILE 82 2HD1 ILE 82 -3.051 7.374 5.908 430 H GLU 83 H GLU 83 -8.529 5.548 5.110 431 HA GLU 83 HA GLU 83 -10.133 4.039 6.921 432 HB2 GLU 83 2HB GLU 83 -10.895 6.018 4.771 433 HB3 GLU 83 3HB GLU 83 -12.021 5.378 5.975 434 HG2 GLU 83 2HG GLU 83 -9.470 6.940 6.626 435 HG3 GLU 83 3HG GLU 83 -11.095 7.602 6.574 436 H GLU 84 H GLU 84 -9.463 3.353 3.591 437 HA GLU 84 HA GLU 84 -11.799 1.613 3.125 438 HB2 GLU 84 2HB GLU 84 -9.303 2.293 1.535 439 HB3 GLU 84 3HB GLU 84 -10.459 1.094 0.999 440 HG2 GLU 84 2HG GLU 84 -11.409 3.891 1.600 441 HG3 GLU 84 3HG GLU 84 -10.562 3.560 0.092 442 H VAL 85 H VAL 85 -8.294 1.178 3.784 443 HA VAL 85 HA VAL 85 -8.725 -1.734 4.219 444 HB VAL 85 HB VAL 85 -8.542 -1.410 1.863 445 HG11 VAL 85 1HG1 VAL 85 -5.850 -0.171 2.361 446 HG12 VAL 85 2HG1 VAL 85 -6.376 -0.782 0.785 447 HG13 VAL 85 3HG1 VAL 85 -7.256 0.543 1.566 448 HG21 VAL 85 3HG2 VAL 85 -6.016 -2.799 2.731 449 HG22 VAL 85 1HG2 VAL 85 -7.644 -3.504 2.884 450 HG23 VAL 85 2HG2 VAL 85 -6.993 -3.091 1.288 451 H HIS 86 H HIS 86 -7.031 0.959 5.427 452 HA HIS 86 HA HIS 86 -4.689 -0.443 6.409 453 HD1 HIS 86 HD1 HIS 86 -2.539 2.251 7.366 454 HD2 HIS 86 HD2 HIS 86 -5.219 0.665 10.177 455 HE1 HIS 86 HE1 HIS 86 -1.205 1.948 9.539 456 HB2 HIS 86 2HB HIS 86 -4.903 1.993 6.498 457 HB3 HIS 86 3HB HIS 86 -6.161 1.866 7.725 458 H GLY 87 H GLY 87 -4.727 -2.249 7.627 459 HA2 GLY 87 2HA GLY 87 -4.734 -3.210 9.771 460 HA3 GLY 87 3HA GLY 87 -5.902 -2.015 10.324 461 H LYS 88 H LYS 88 -6.781 -3.407 7.387 462 HA LYS 88 HA LYS 88 -9.270 -4.396 8.453 463 HB2 LYS 88 2HB LYS 88 -7.964 -3.758 5.851 464 HB3 LYS 88 3HB LYS 88 -9.040 -5.073 5.713 465 HG2 LYS 88 2HG LYS 88 -10.223 -3.000 5.283 466 HG3 LYS 88 3HG LYS 88 -10.848 -3.698 6.781 467 HD2 LYS 88 2HD LYS 88 -9.655 -2.083 8.138 468 HD3 LYS 88 3HD LYS 88 -8.642 -1.616 6.769 469 HE2 LYS 88 2HE LYS 88 -10.707 -0.760 5.619 470 HE3 LYS 88 3HE LYS 88 -11.590 -1.022 7.121 471 HZ1 LYS 88 3HZ LYS 88 -10.028 0.528 8.210 472 HZ2 LYS 88 1HZ LYS 88 -9.239 0.794 6.806 473 HZ3 LYS 88 2HZ LYS 88 -10.798 1.258 6.954 474 H SER 89 H SER 89 -6.993 -5.998 6.427 475 HA SER 89 HA SER 89 -5.878 -8.110 6.991 476 HG SER 89 HG SER 89 -7.341 -11.053 8.103 477 HB2 SER 89 2HB SER 89 -7.154 -8.860 8.784 478 HB3 SER 89 3HB SER 89 -8.591 -9.155 7.742 479 H PHE 90 H PHE 90 -5.184 -8.501 5.148 480 HA PHE 90 HA PHE 90 -7.029 -9.547 3.016 481 HD1 PHE 90 HD2 PHE 90 -4.111 -9.795 0.734 482 HD2 PHE 90 HD1 PHE 90 -7.604 -7.280 0.947 483 HE1 PHE 90 HE2 PHE 90 -4.776 -10.533 -1.541 484 HE2 PHE 90 HE1 PHE 90 -8.258 -8.001 -1.337 485 HZ PHE 90 HZ PHE 90 -6.875 -9.667 -2.554 486 HB2 PHE 90 2HB PHE 90 -6.099 -7.280 2.637 487 HB3 PHE 90 3HB PHE 90 -4.491 -7.893 2.680 488 H ALA 91 H ALA 91 -6.276 -11.293 1.824 489 HA ALA 91 HA ALA 91 -5.565 -13.391 1.583 490 HB1 ALA 91 1HB ALA 91 -3.162 -13.841 1.635 491 HB2 ALA 91 2HB ALA 91 -3.518 -12.300 0.833 492 HB3 ALA 91 3HB ALA 91 -2.868 -12.313 2.485 493 H ASN 92 H ASN 92 -3.997 -12.417 4.640 494 HA ASN 92 HA ASN 92 -5.728 -14.120 6.215 495 HB2 ASN 92 2HB ASN 92 -4.188 -15.677 7.069 496 HB3 ASN 92 3HB ASN 92 -3.843 -15.694 5.350 497 HD21 ASN 92 2HD2 ASN 92 -1.901 -14.164 4.679 498 HD22 ASN 92 1HD2 ASN 92 -0.623 -14.028 5.865 499 H GLN 93 H GLN 93 -3.963 -11.256 5.982 500 HA GLN 93 HA GLN 93 -3.914 -10.738 8.856 501 HB2 GLN 93 2HB GLN 93 -1.484 -10.488 9.033 502 HB3 GLN 93 3HB GLN 93 -1.913 -12.124 8.580 503 HG2 GLN 93 2HG GLN 93 -1.449 -11.334 6.126 504 HG3 GLN 93 3HG GLN 93 -0.636 -9.960 6.887 505 HE21 GLN 93 2HE2 GLN 93 0.413 -12.313 5.210 506 HE22 GLN 93 1HE2 GLN 93 1.613 -13.063 6.251 507 HA PRO 94 HA PRO 94 -4.514 -6.752 7.361 508 HB2 PRO 94 2HB PRO 94 -3.784 -5.120 9.474 509 HB3 PRO 94 3HB PRO 94 -5.155 -6.273 9.567 510 HG2 PRO 94 2HG PRO 94 -2.286 -6.700 10.478 511 HG3 PRO 94 3HG PRO 94 -3.791 -6.953 11.426 512 HD2 PRO 94 2HD PRO 94 -2.554 -8.988 10.175 513 HD3 PRO 94 3HD PRO 94 -4.341 -8.875 10.154 514 H LEU 95 H LEU 95 -3.931 -4.664 6.982 515 HA LEU 95 HA LEU 95 -1.337 -4.438 5.611 516 HG LEU 95 HG LEU 95 -4.029 -3.783 3.077 517 HB2 LEU 95 2HB LEU 95 -4.041 -3.009 5.495 518 HB3 LEU 95 3HB LEU 95 -2.683 -2.596 4.513 519 HD11 LEU 95 1HD1 LEU 95 -1.702 -4.675 3.127 520 HD12 LEU 95 2HD1 LEU 95 -2.311 -5.990 4.155 521 HD13 LEU 95 3HD1 LEU 95 -2.937 -5.778 2.492 522 HD21 LEU 95 3HD2 LEU 95 -5.363 -5.509 3.460 523 HD22 LEU 95 1HD2 LEU 95 -4.547 -6.036 4.953 524 HD23 LEU 95 2HD2 LEU 95 -5.563 -4.552 4.905 525 H GLU 96 H GLU 96 -0.139 -2.492 5.623 526 HA GLU 96 HA GLU 96 -0.751 -0.525 7.800 527 HB2 GLU 96 2HB GLU 96 1.284 -2.074 8.055 528 HB3 GLU 96 3HB GLU 96 2.011 -1.120 6.759 529 HG2 GLU 96 2HG GLU 96 1.498 0.941 8.183 530 HG3 GLU 96 3HG GLU 96 1.162 -0.177 9.501 531 H VAL 97 H VAL 97 -2.062 -0.199 5.700 532 HA VAL 97 HA VAL 97 -1.042 1.265 3.441 533 HB VAL 97 HB VAL 97 -3.728 1.062 4.821 534 HG11 VAL 97 1HG1 VAL 97 -4.839 1.812 2.796 535 HG12 VAL 97 2HG1 VAL 97 -3.850 3.109 3.476 536 HG13 VAL 97 3HG1 VAL 97 -3.305 2.193 2.048 537 HG21 VAL 97 3HG2 VAL 97 -2.374 -0.847 3.346 538 HG22 VAL 97 1HG2 VAL 97 -4.127 -0.805 3.537 539 HG23 VAL 97 2HG2 VAL 97 -3.347 -0.124 2.092 540 H VAL 98 H VAL 98 0.189 3.288 4.132 541 HA VAL 98 HA VAL 98 -1.312 5.172 5.797 542 HB VAL 98 HB VAL 98 -0.235 3.065 7.052 543 HG11 VAL 98 1HG1 VAL 98 2.132 3.387 6.533 544 HG12 VAL 98 2HG1 VAL 98 2.098 4.778 7.697 545 HG13 VAL 98 3HG1 VAL 98 1.659 3.180 8.220 546 HG21 VAL 98 3HG2 VAL 98 -0.566 5.798 8.152 547 HG22 VAL 98 1HG2 VAL 98 -1.759 4.471 7.913 548 HG23 VAL 98 2HG2 VAL 98 -0.438 4.278 9.088 549 H TYR 99 H TYR 99 1.832 5.669 6.435 550 HA TYR 99 HA TYR 99 2.419 7.344 4.033 551 HD1 TYR 99 HD2 TYR 99 0.665 8.684 4.496 552 HD2 TYR 99 HD1 TYR 99 2.359 9.155 8.433 553 HE1 TYR 99 HE2 TYR 99 -1.302 9.991 5.164 554 HE2 TYR 99 HE1 TYR 99 0.342 10.438 9.126 555 HH TYR 99 HH TYR 99 -2.365 11.114 6.879 556 HB2 TYR 99 2HB TYR 99 3.389 7.660 6.884 557 HB3 TYR 99 3HB TYR 99 3.622 8.790 5.556 558 H SER 100 H SER 100 2.985 4.427 4.889 559 HA SER 100 HA SER 100 4.544 2.977 5.337 560 HG SER 100 HG SER 100 6.353 2.152 2.266 561 HB2 SER 100 2HB SER 100 4.209 2.780 3.062 562 HB3 SER 100 3HB SER 100 5.374 4.006 2.774 563 H LYS 101 H LYS 101 7.187 2.488 4.896 564 HA LYS 101 HA LYS 101 9.006 4.252 6.245 565 HB2 LYS 101 2HB LYS 101 9.247 2.938 8.376 566 HB3 LYS 101 3HB LYS 101 7.745 3.818 8.275 567 HG2 LYS 101 2HG LYS 101 6.440 1.921 8.006 568 HG3 LYS 101 3HG LYS 101 7.761 0.929 7.378 569 HD2 LYS 101 2HD LYS 101 8.744 0.631 9.527 570 HD3 LYS 101 3HD LYS 101 7.815 1.964 10.225 571 HE2 LYS 101 2HE LYS 101 6.925 -0.191 10.991 572 HE3 LYS 101 3HE LYS 101 5.750 0.739 10.058 573 HZ1 LYS 101 3HZ LYS 101 7.180 -1.700 9.198 574 HZ2 LYS 101 1HZ LYS 101 5.552 -1.368 9.258 575 HZ3 LYS 101 2HZ LYS 101 6.459 -0.676 8.109 576 H LEU 102 H LEU 102 10.866 2.677 7.243 577 HA LEU 102 HA LEU 102 12.052 1.136 5.153 578 HG LEU 102 HG LEU 102 12.968 3.277 7.382 579 HB2 LEU 102 2HB LEU 102 12.468 0.978 8.169 580 HB3 LEU 102 3HB LEU 102 13.554 0.312 6.957 581 HD11 LEU 102 1HD1 LEU 102 14.317 2.249 9.175 582 HD12 LEU 102 2HD1 LEU 102 15.456 1.619 7.963 583 HD13 LEU 102 3HD1 LEU 102 15.277 3.373 8.198 584 HD21 LEU 102 3HD2 LEU 102 14.872 3.645 5.826 585 HD22 LEU 102 1HD2 LEU 102 14.920 1.900 5.481 586 HD23 LEU 102 2HD2 LEU 102 13.503 2.875 5.024 587 HA PRO 103 HA PRO 103 9.837 -2.688 5.106 588 HB2 PRO 103 2HB PRO 103 12.518 -4.067 5.206 589 HB3 PRO 103 3HB PRO 103 11.126 -4.383 4.122 590 HG2 PRO 103 2HG PRO 103 13.207 -2.917 3.233 591 HG3 PRO 103 3HG PRO 103 11.531 -2.374 2.893 592 HD2 PRO 103 2HD PRO 103 13.436 -1.383 5.028 593 HD3 PRO 103 3HD PRO 103 12.349 -0.469 3.939 594 H ALA 104 H ALA 104 11.069 -1.960 8.033 595 HA ALA 104 HA ALA 104 11.223 -4.386 9.541 596 HB1 ALA 104 1HB ALA 104 12.111 -2.225 10.318 597 HB2 ALA 104 2HB ALA 104 10.467 -1.541 10.347 598 HB3 ALA 104 3HB ALA 104 10.906 -2.850 11.462 Start of MODEL 18 1 H GLU 28 H GLU 28 3.890 15.847 6.860 2 HA GLU 28 HA GLU 28 5.764 14.675 8.282 3 HB2 GLU 28 2HB GLU 28 4.085 14.088 9.971 4 HB3 GLU 28 3HB GLU 28 3.960 15.728 9.387 5 HG2 GLU 28 2HG GLU 28 2.153 13.627 8.158 6 HG3 GLU 28 3HG GLU 28 1.841 14.186 9.800 7 H LEU 29 H LEU 29 6.338 12.699 9.145 8 HA LEU 29 HA LEU 29 6.927 10.539 9.166 9 HG LEU 29 HG LEU 29 4.096 8.016 9.499 10 HB2 LEU 29 2HB LEU 29 4.424 10.480 9.785 11 HB3 LEU 29 3HB LEU 29 4.124 9.889 8.188 12 HD11 LEU 29 1HD1 LEU 29 5.665 7.611 7.566 13 HD12 LEU 29 2HD1 LEU 29 7.022 7.894 8.683 14 HD13 LEU 29 3HD1 LEU 29 5.890 6.559 8.958 15 HD21 LEU 29 3HD2 LEU 29 4.995 9.009 11.543 16 HD22 LEU 29 1HD2 LEU 29 5.702 7.418 11.222 17 HD23 LEU 29 2HD2 LEU 29 6.647 8.889 10.886 18 H SER 30 H SER 30 4.819 10.485 6.408 19 HA SER 30 HA SER 30 6.707 10.366 4.293 20 HG SER 30 HG SER 30 7.699 8.570 5.771 21 HB2 SER 30 2HB SER 30 5.476 7.668 5.032 22 HB3 SER 30 3HB SER 30 6.197 8.037 3.463 23 H ASN 31 H ASN 31 3.593 10.460 5.533 24 HA ASN 31 HA ASN 31 1.534 10.674 4.895 25 HB2 ASN 31 2HB ASN 31 1.279 12.616 3.146 26 HB3 ASN 31 3HB ASN 31 1.758 12.821 4.801 27 HD21 ASN 31 1HD2 ASN 31 3.507 12.045 1.708 28 HD22 ASN 31 2HD2 ASN 31 4.671 13.322 1.968 29 H THR 32 H THR 32 3.105 9.100 2.261 30 HA THR 32 HA THR 32 0.443 8.693 0.992 31 HB THR 32 HB THR 32 1.431 9.178 -1.179 32 HG1 THR 32 1HG THR 32 3.476 9.680 -1.413 33 HG21 THR 32 1HG2 THR 32 2.205 11.492 0.594 34 HG22 THR 32 2HG2 THR 32 1.666 11.516 -1.091 35 HG23 THR 32 3HG2 THR 32 0.520 11.100 0.196 36 H ARG 33 H ARG 33 1.845 6.534 2.481 37 HA ARG 33 HA ARG 33 2.693 4.806 0.180 38 HE ARG 33 HE ARG 33 7.548 6.225 -0.741 39 HB2 ARG 33 2HB ARG 33 4.345 5.626 2.552 40 HB3 ARG 33 3HB ARG 33 4.603 4.116 1.690 41 HG2 ARG 33 2HG ARG 33 5.323 4.920 -0.135 42 HG3 ARG 33 3HG ARG 33 4.428 6.467 -0.016 43 HD2 ARG 33 2HD ARG 33 6.199 7.567 0.750 44 HD3 ARG 33 3HD ARG 33 6.458 6.391 2.040 45 HH11 ARG 33 2HH2 ARG 33 7.684 4.891 2.498 46 HH12 ARG 33 1HH2 ARG 33 8.421 3.417 1.905 47 HH21 ARG 33 2HH1 ARG 33 8.408 4.438 -1.366 48 HH22 ARG 33 1HH1 ARG 33 8.977 3.218 -0.195 49 H LEU 34 H LEU 34 1.931 2.961 0.114 50 HA LEU 34 HA LEU 34 0.596 1.907 2.502 51 HG LEU 34 HG LEU 34 -1.949 2.427 -0.196 52 HB2 LEU 34 2HB LEU 34 0.197 0.955 -0.261 53 HB3 LEU 34 3HB LEU 34 -0.903 0.814 1.061 54 HD11 LEU 34 1HD1 LEU 34 -1.496 3.421 2.107 55 HD12 LEU 34 2HD1 LEU 34 -0.308 4.462 1.311 56 HD13 LEU 34 3HD1 LEU 34 -1.988 4.511 0.820 57 HD21 LEU 34 3HD2 LEU 34 0.691 2.955 -1.245 58 HD22 LEU 34 1HD2 LEU 34 -0.861 3.081 -2.012 59 HD23 LEU 34 2HD2 LEU 34 -0.212 4.438 -1.052 60 H PHE 35 H PHE 35 1.443 0.380 3.661 61 HA PHE 35 HA PHE 35 3.695 -1.224 2.626 62 HD1 PHE 35 HD2 PHE 35 4.738 -3.056 3.785 63 HD2 PHE 35 HD1 PHE 35 5.176 -0.095 6.902 64 HE1 PHE 35 HE2 PHE 35 6.537 -4.386 4.797 65 HE2 PHE 35 HE1 PHE 35 6.995 -1.449 7.915 66 HZ PHE 35 HZ PHE 35 7.683 -3.594 6.864 67 HB2 PHE 35 2HB PHE 35 4.402 0.182 4.137 68 HB3 PHE 35 3HB PHE 35 3.345 0.221 5.262 69 H VAL 36 H VAL 36 2.939 -2.849 1.847 70 HA VAL 36 HA VAL 36 0.539 -4.250 2.947 71 HB VAL 36 HB VAL 36 1.483 -3.208 0.287 72 HG11 VAL 36 1HG1 VAL 36 -0.504 -3.799 -0.789 73 HG12 VAL 36 2HG1 VAL 36 0.523 -5.168 -0.439 74 HG13 VAL 36 3HG1 VAL 36 -0.943 -4.853 0.571 75 HG21 VAL 36 3HG2 VAL 36 -0.201 -1.608 0.561 76 HG22 VAL 36 1HG2 VAL 36 -1.324 -2.770 1.357 77 HG23 VAL 36 2HG2 VAL 36 -0.059 -1.986 2.269 78 H ARG 37 H ARG 37 1.379 -5.882 3.883 79 HA ARG 37 HA ARG 37 3.187 -7.791 2.455 80 HE ARG 37 HE ARG 37 3.887 -6.715 8.733 81 HB2 ARG 37 2HB ARG 37 4.559 -7.906 4.476 82 HB3 ARG 37 3HB ARG 37 4.520 -6.288 3.791 83 HG2 ARG 37 2HG ARG 37 3.160 -5.416 5.507 84 HG3 ARG 37 3HG ARG 37 2.605 -7.006 6.027 85 HD2 ARG 37 2HD ARG 37 4.872 -7.550 6.847 86 HD3 ARG 37 3HD ARG 37 5.440 -5.948 6.397 87 HH11 ARG 37 2HH2 ARG 37 4.493 -3.850 6.734 88 HH12 ARG 37 1HH2 ARG 37 3.903 -2.820 8.032 89 HH21 ARG 37 1HH1 ARG 37 3.205 -5.165 10.261 90 HH22 ARG 37 2HH1 ARG 37 3.271 -3.468 9.777 91 HA PRO 38 HA PRO 38 0.325 -10.279 5.649 92 HB2 PRO 38 2HB PRO 38 -1.846 -9.597 3.612 93 HB3 PRO 38 3HB PRO 38 -2.064 -10.288 5.236 94 HG2 PRO 38 2HG PRO 38 -2.320 -7.677 4.999 95 HG3 PRO 38 3HG PRO 38 -1.183 -8.253 6.249 96 HD2 PRO 38 2HD PRO 38 -0.504 -7.308 3.452 97 HD3 PRO 38 3HD PRO 38 0.253 -6.858 5.020 98 H PHE 39 H PHE 39 0.030 -10.083 2.135 99 HA PHE 39 HA PHE 39 -0.379 -12.791 1.532 100 HD1 PHE 39 HD2 PHE 39 1.469 -9.025 0.593 101 HD2 PHE 39 HD1 PHE 39 -2.282 -10.774 -0.703 102 HE1 PHE 39 HE2 PHE 39 0.372 -6.877 0.759 103 HE2 PHE 39 HE1 PHE 39 -3.277 -8.505 -0.820 104 HZ PHE 39 HZ PHE 39 -2.000 -6.564 -0.060 105 HB2 PHE 39 2HB PHE 39 1.275 -11.365 -0.452 106 HB3 PHE 39 3HB PHE 39 -0.285 -12.134 -0.624 107 HA PRO 40 HA PRO 40 3.892 -14.270 1.682 108 HB2 PRO 40 2HB PRO 40 3.248 -16.498 -0.163 109 HB3 PRO 40 3HB PRO 40 3.623 -16.574 1.572 110 HG2 PRO 40 2HG PRO 40 1.106 -17.073 0.471 111 HG3 PRO 40 3HG PRO 40 1.391 -16.519 2.152 112 HD2 PRO 40 2HD PRO 40 0.625 -14.870 -0.259 113 HD3 PRO 40 3HD PRO 40 0.013 -14.803 1.418 114 H LEU 41 H LEU 41 4.946 -15.612 -0.802 115 HA LEU 41 HA LEU 41 5.723 -13.349 -2.338 116 HG LEU 41 HG LEU 41 7.971 -16.534 -2.722 117 HB2 LEU 41 2HB LEU 41 5.702 -16.122 -3.501 118 HB3 LEU 41 3HB LEU 41 6.817 -14.787 -3.764 119 HD11 LEU 41 1HD1 LEU 41 7.486 -14.365 -0.649 120 HD12 LEU 41 2HD1 LEU 41 8.832 -15.526 -0.643 121 HD13 LEU 41 3HD1 LEU 41 8.685 -14.368 -1.972 122 HD21 LEU 41 3HD2 LEU 41 5.945 -17.624 -1.606 123 HD22 LEU 41 1HD2 LEU 41 7.504 -17.691 -0.774 124 HD23 LEU 41 2HD2 LEU 41 6.285 -16.553 -0.220 125 H ASP 42 H ASP 42 2.820 -15.114 -2.396 126 HA ASP 42 HA ASP 42 1.973 -14.905 -5.089 127 HB2 ASP 42 2HB ASP 42 0.389 -15.364 -2.548 128 HB3 ASP 42 3HB ASP 42 -0.157 -15.705 -4.188 129 H VAL 43 H VAL 43 2.684 -12.230 -4.273 130 HA VAL 43 HA VAL 43 0.200 -10.888 -5.168 131 HB VAL 43 HB VAL 43 0.423 -10.559 -2.732 132 HG11 VAL 43 1HG1 VAL 43 2.873 -8.875 -3.372 133 HG12 VAL 43 2HG1 VAL 43 2.084 -9.041 -1.795 134 HG13 VAL 43 3HG1 VAL 43 2.874 -10.442 -2.521 135 HG21 VAL 43 3HG2 VAL 43 -0.050 -8.152 -2.729 136 HG22 VAL 43 1HG2 VAL 43 0.661 -7.965 -4.344 137 HG23 VAL 43 2HG2 VAL 43 -0.815 -8.923 -4.124 138 H GLN 44 H GLN 44 0.512 -9.137 -6.527 139 HA GLN 44 HA GLN 44 3.088 -7.937 -6.952 140 HB2 GLN 44 2HB GLN 44 3.558 -8.560 -9.215 141 HB3 GLN 44 3HB GLN 44 3.455 -10.004 -8.248 142 HG2 GLN 44 2HG GLN 44 0.830 -9.675 -9.242 143 HG3 GLN 44 3HG GLN 44 1.871 -9.192 -10.580 144 HE21 GLN 44 2HE2 GLN 44 0.791 -11.845 -8.564 145 HE22 GLN 44 1HE2 GLN 44 1.652 -13.121 -9.447 146 H GLU 45 H GLU 45 2.814 -6.563 -9.248 147 HA GLU 45 HA GLU 45 0.996 -4.555 -8.511 148 HB2 GLU 45 2HB GLU 45 1.549 -3.429 -10.571 149 HB3 GLU 45 3HB GLU 45 2.989 -4.070 -9.779 150 HG2 GLU 45 2HG GLU 45 3.050 -5.957 -11.324 151 HG3 GLU 45 3HG GLU 45 1.565 -5.399 -12.107 152 H SER 46 H SER 46 0.161 -7.368 -10.488 153 HA SER 46 HA SER 46 -2.287 -6.195 -11.503 154 HG SER 46 HG SER 46 -1.455 -9.795 -10.554 155 HB2 SER 46 2HB SER 46 -2.902 -8.690 -11.800 156 HB3 SER 46 3HB SER 46 -1.584 -7.995 -12.737 157 H GLU 47 H GLU 47 -1.448 -7.705 -8.356 158 HA GLU 47 HA GLU 47 -4.241 -8.280 -7.619 159 HB2 GLU 47 2HB GLU 47 -1.418 -8.640 -6.500 160 HB3 GLU 47 3HB GLU 47 -2.792 -8.730 -5.459 161 HG2 GLU 47 2HG GLU 47 -2.490 -10.901 -6.004 162 HG3 GLU 47 3HG GLU 47 -3.745 -10.488 -7.157 163 H LEU 48 H LEU 48 -1.479 -6.131 -6.911 164 HA LEU 48 HA LEU 48 -2.864 -4.349 -5.147 165 HG LEU 48 HG LEU 48 -0.064 -5.717 -5.290 166 HB2 LEU 48 2HB LEU 48 -0.575 -3.843 -7.054 167 HB3 LEU 48 3HB LEU 48 -1.028 -2.862 -5.754 168 HD11 LEU 48 1HD1 LEU 48 2.140 -4.825 -4.944 169 HD12 LEU 48 2HD1 LEU 48 1.578 -4.340 -6.551 170 HD13 LEU 48 3HD1 LEU 48 1.584 -3.170 -5.218 171 HD21 LEU 48 3HD2 LEU 48 -0.976 -4.701 -3.270 172 HD22 LEU 48 1HD2 LEU 48 0.801 -4.768 -3.203 173 HD23 LEU 48 2HD2 LEU 48 -0.003 -3.215 -3.581 174 H ASN 49 H ASN 49 -2.610 -4.569 -8.760 175 HA ASN 49 HA ASN 49 -4.051 -2.113 -9.230 176 HB2 ASN 49 2HB ASN 49 -3.329 -4.440 -10.923 177 HB3 ASN 49 3HB ASN 49 -4.829 -3.679 -11.375 178 HD21 ASN 49 2HD2 ASN 49 -1.382 -3.118 -10.992 179 HD22 ASN 49 1HD2 ASN 49 -1.346 -1.708 -12.049 180 H GLU 50 H GLU 50 -5.306 -5.454 -8.757 181 HA GLU 50 HA GLU 50 -8.079 -4.735 -8.998 182 HB2 GLU 50 2HB GLU 50 -6.538 -6.983 -7.764 183 HB3 GLU 50 3HB GLU 50 -8.218 -6.760 -7.254 184 HG2 GLU 50 2HG GLU 50 -8.883 -6.748 -9.697 185 HG3 GLU 50 3HG GLU 50 -7.211 -7.125 -10.120 186 H ILE 51 H ILE 51 -5.922 -4.584 -6.161 187 HA ILE 51 HA ILE 51 -8.113 -3.866 -4.346 188 HB ILE 51 HB ILE 51 -5.134 -4.122 -4.140 189 HG12 ILE 51 2HG1 ILE 51 -7.254 -5.879 -2.846 190 HG13 ILE 51 3HG1 ILE 51 -6.570 -6.205 -4.435 191 HG21 ILE 51 1HG2 ILE 51 -5.381 -3.977 -1.634 192 HG22 ILE 51 2HG2 ILE 51 -5.792 -2.459 -2.414 193 HG23 ILE 51 3HG2 ILE 51 -7.089 -3.540 -1.866 194 HD11 ILE 51 3HD1 ILE 51 -4.260 -6.232 -3.380 195 HD12 ILE 51 1HD1 ILE 51 -5.074 -6.219 -1.796 196 HD13 ILE 51 2HD1 ILE 51 -5.345 -7.552 -2.926 197 H PHE 52 H PHE 52 -5.473 -2.071 -5.904 198 HA PHE 52 HA PHE 52 -6.051 0.417 -4.419 199 HD1 PHE 52 HD2 PHE 52 -3.879 -2.490 -4.427 200 HD2 PHE 52 HD1 PHE 52 -2.998 1.525 -3.186 201 HE1 PHE 52 HE2 PHE 52 -2.593 -3.397 -2.545 202 HE2 PHE 52 HE1 PHE 52 -1.625 0.604 -1.358 203 HZ PHE 52 HZ PHE 52 -1.312 -1.848 -1.144 204 HB2 PHE 52 2HB PHE 52 -3.731 -0.416 -6.070 205 HB3 PHE 52 3HB PHE 52 -3.895 1.155 -5.322 206 H GLY 53 H GLY 53 -6.180 -0.904 -7.692 207 HA2 GLY 53 2HA GLY 53 -6.291 1.396 -9.293 208 HA3 GLY 53 3HA GLY 53 -7.175 -0.106 -9.580 209 HA PRO 54 HA PRO 54 -11.007 1.855 -7.989 210 HB2 PRO 54 2HB PRO 54 -10.705 1.127 -5.092 211 HB3 PRO 54 3HB PRO 54 -12.119 0.916 -6.167 212 HG2 PRO 54 2HG PRO 54 -10.579 -1.213 -5.528 213 HG3 PRO 54 3HG PRO 54 -11.098 -0.988 -7.235 214 HD2 PRO 54 2HD PRO 54 -8.521 -0.092 -5.931 215 HD3 PRO 54 3HD PRO 54 -8.673 -1.129 -7.365 216 H PHE 55 H PHE 55 -8.133 2.547 -5.973 217 HA PHE 55 HA PHE 55 -9.200 5.029 -4.880 218 HD1 PHE 55 HD1 PHE 55 -9.405 3.117 -3.459 219 HD2 PHE 55 HD2 PHE 55 -5.122 3.046 -3.461 220 HE1 PHE 55 HE1 PHE 55 -9.457 1.038 -2.097 221 HE2 PHE 55 HE2 PHE 55 -5.164 1.067 -1.884 222 HZ PHE 55 HZ PHE 55 -7.346 0.030 -1.307 223 HB2 PHE 55 2HB PHE 55 -6.275 4.278 -5.014 224 HB3 PHE 55 3HB PHE 55 -7.063 5.322 -3.885 225 H GLY 56 H GLY 56 -6.785 4.094 -7.333 226 HA2 GLY 56 2HA GLY 56 -7.461 5.211 -9.455 227 HA3 GLY 56 3HA GLY 56 -7.206 6.739 -8.626 228 HA PRO 57 HA PRO 57 -3.428 7.243 -10.306 229 HB2 PRO 57 2HB PRO 57 -1.751 8.389 -8.445 230 HB3 PRO 57 3HB PRO 57 -3.231 9.149 -9.104 231 HG2 PRO 57 2HG PRO 57 -2.879 7.696 -6.481 232 HG3 PRO 57 3HG PRO 57 -3.782 9.206 -6.827 233 HD2 PRO 57 2HD PRO 57 -4.946 6.694 -6.613 234 HD3 PRO 57 3HD PRO 57 -5.657 8.040 -7.526 235 H MET 58 H MET 58 -2.695 5.274 -7.498 236 HA MET 58 HA MET 58 -0.738 4.039 -6.913 237 HB2 MET 58 2HB MET 58 -1.057 2.829 -9.591 238 HB3 MET 58 3HB MET 58 -0.581 2.074 -8.087 239 HG2 MET 58 2HG MET 58 -2.946 2.419 -7.229 240 HG3 MET 58 3HG MET 58 -3.397 2.963 -8.849 241 HE1 MET 58 3HE MET 58 -1.793 0.286 -6.745 242 HE2 MET 58 1HE MET 58 -2.031 -1.252 -7.617 243 HE3 MET 58 2HE MET 58 -0.794 -0.103 -8.172 244 H LYS 59 H LYS 59 0.314 6.210 -7.448 245 HA LYS 59 HA LYS 59 1.886 6.699 -9.621 246 HB2 LYS 59 2HB LYS 59 1.097 8.084 -7.616 247 HB3 LYS 59 3HB LYS 59 2.464 7.387 -6.729 248 HG2 LYS 59 2HG LYS 59 2.846 8.945 -9.276 249 HG3 LYS 59 3HG LYS 59 2.562 9.684 -7.707 250 HD2 LYS 59 2HD LYS 59 4.973 8.120 -8.556 251 HD3 LYS 59 3HD LYS 59 4.751 9.761 -7.975 252 HE2 LYS 59 2HE LYS 59 4.433 9.104 -5.732 253 HE3 LYS 59 3HE LYS 59 4.440 7.379 -6.168 254 HZ1 LYS 59 3HZ LYS 59 6.773 7.616 -6.874 255 HZ2 LYS 59 1HZ LYS 59 6.758 9.210 -6.491 256 HZ3 LYS 59 2HZ LYS 59 6.622 8.070 -5.327 257 H GLU 60 H GLU 60 2.532 4.581 -6.929 258 HA GLU 60 HA GLU 60 4.613 3.297 -8.377 259 HB2 GLU 60 2HB GLU 60 5.585 5.324 -6.559 260 HB3 GLU 60 3HB GLU 60 5.958 3.752 -5.845 261 HG2 GLU 60 2HG GLU 60 7.254 3.086 -7.739 262 HG3 GLU 60 3HG GLU 60 6.667 4.433 -8.720 263 H VAL 61 H VAL 61 5.443 1.499 -7.581 264 HA VAL 61 HA VAL 61 3.799 -0.030 -5.687 265 HB VAL 61 HB VAL 61 3.969 -0.823 -8.665 266 HG11 VAL 61 1HG1 VAL 61 1.784 -1.558 -6.726 267 HG12 VAL 61 2HG1 VAL 61 2.308 -2.404 -8.208 268 HG13 VAL 61 3HG1 VAL 61 3.339 -2.416 -6.756 269 HG21 VAL 61 3HG2 VAL 61 1.644 -0.170 -9.090 270 HG22 VAL 61 1HG2 VAL 61 1.612 0.726 -7.564 271 HG23 VAL 61 2HG2 VAL 61 2.702 1.220 -8.870 272 H LYS 62 H LYS 62 5.878 0.176 -4.778 273 HA LYS 62 HA LYS 62 8.174 -1.170 -6.037 274 HB2 LYS 62 2HB LYS 62 7.794 -0.330 -3.145 275 HB3 LYS 62 3HB LYS 62 9.301 -0.619 -3.977 276 HG2 LYS 62 2HG LYS 62 8.569 1.370 -5.548 277 HG3 LYS 62 3HG LYS 62 7.292 1.659 -4.376 278 HD2 LYS 62 2HD LYS 62 8.869 3.178 -3.698 279 HD3 LYS 62 3HD LYS 62 9.123 1.837 -2.587 280 HE2 LYS 62 2HE LYS 62 11.259 2.682 -3.322 281 HE3 LYS 62 3HE LYS 62 11.042 1.062 -3.998 282 HZ1 LYS 62 3HZ LYS 62 11.873 2.890 -5.568 283 HZ2 LYS 62 1HZ LYS 62 10.644 1.983 -6.127 284 HZ3 LYS 62 2HZ LYS 62 10.337 3.485 -5.590 285 H ILE 63 H ILE 63 8.377 -3.353 -5.999 286 HA ILE 63 HA ILE 63 6.896 -4.933 -3.933 287 HB ILE 63 HB ILE 63 6.933 -5.692 -6.871 288 HG12 ILE 63 2HG1 ILE 63 4.808 -4.347 -5.138 289 HG13 ILE 63 3HG1 ILE 63 5.554 -3.758 -6.625 290 HG21 ILE 63 1HG2 ILE 63 5.417 -6.866 -4.481 291 HG22 ILE 63 2HG2 ILE 63 5.343 -7.447 -6.159 292 HG23 ILE 63 3HG2 ILE 63 6.828 -7.618 -5.254 293 HD11 ILE 63 3HD1 ILE 63 3.451 -5.845 -6.293 294 HD12 ILE 63 1HD1 ILE 63 3.500 -4.436 -7.358 295 HD13 ILE 63 2HD1 ILE 63 4.500 -5.832 -7.764 296 H LEU 64 H LEU 64 7.875 -6.409 -3.046 297 HA LEU 64 HA LEU 64 10.613 -7.369 -3.802 298 HG LEU 64 HG LEU 64 11.828 -5.395 -2.526 299 HB2 LEU 64 2HB LEU 64 9.408 -6.543 -1.126 300 HB3 LEU 64 3HB LEU 64 10.964 -7.330 -1.319 301 HD11 LEU 64 1HD1 LEU 64 10.349 -4.069 -3.582 302 HD12 LEU 64 2HD1 LEU 64 9.102 -4.227 -2.333 303 HD13 LEU 64 3HD1 LEU 64 10.489 -3.148 -2.100 304 HD21 LEU 64 3HD2 LEU 64 10.656 -4.870 0.174 305 HD22 LEU 64 1HD2 LEU 64 12.227 -5.583 -0.205 306 HD23 LEU 64 2HD2 LEU 64 11.921 -3.877 -0.585 307 H ASN 65 H ASN 65 11.040 -9.396 -2.431 308 HA ASN 65 HA ASN 65 10.003 -11.526 -3.481 309 HB2 ASN 65 2HB ASN 65 10.676 -11.384 -0.513 310 HB3 ASN 65 3HB ASN 65 10.617 -12.860 -1.480 311 HD21 ASN 65 1HD2 ASN 65 12.600 -10.183 -0.549 312 HD22 ASN 65 2HD2 ASN 65 13.895 -10.487 -1.693 313 H GLY 66 H GLY 66 8.450 -10.640 -0.370 314 HA2 GLY 66 2HA GLY 66 5.788 -11.258 -1.527 315 HA3 GLY 66 3HA GLY 66 6.210 -11.974 0.021 316 H PHE 67 H PHE 67 6.945 -8.684 -1.238 317 HA PHE 67 HA PHE 67 5.079 -7.456 0.747 318 HD1 PHE 67 HD2 PHE 67 9.164 -8.562 0.500 319 HD2 PHE 67 HD1 PHE 67 6.625 -7.270 3.718 320 HE1 PHE 67 HE2 PHE 67 10.174 -10.285 1.986 321 HE2 PHE 67 HE1 PHE 67 7.637 -8.958 5.218 322 HZ PHE 67 HZ PHE 67 9.410 -10.490 4.345 323 HB2 PHE 67 2HB PHE 67 7.909 -6.417 0.438 324 HB3 PHE 67 3HB PHE 67 6.732 -6.011 1.657 325 H ALA 68 H ALA 68 4.461 -5.376 0.256 326 HA ALA 68 HA ALA 68 5.253 -4.111 -2.355 327 HB1 ALA 68 1HB ALA 68 2.896 -3.686 -2.756 328 HB2 ALA 68 2HB ALA 68 3.259 -5.430 -2.737 329 HB3 ALA 68 3HB ALA 68 2.470 -4.682 -1.342 330 H PHE 69 H PHE 69 5.451 -2.069 -2.315 331 HA PHE 69 HA PHE 69 4.440 -0.429 -0.101 332 HD1 PHE 69 HD2 PHE 69 7.770 -2.281 -1.472 333 HD2 PHE 69 HD1 PHE 69 6.856 -0.435 2.285 334 HE1 PHE 69 HE2 PHE 69 8.679 -4.258 -0.284 335 HE2 PHE 69 HE1 PHE 69 7.973 -2.344 3.481 336 HZ PHE 69 HZ PHE 69 8.954 -4.252 2.117 337 HB2 PHE 69 2HB PHE 69 7.160 0.187 -1.230 338 HB3 PHE 69 3HB PHE 69 6.432 0.741 0.250 339 H VAL 70 H VAL 70 2.798 -0.067 -1.317 340 HA VAL 70 HA VAL 70 3.093 1.161 -3.978 341 HB VAL 70 HB VAL 70 0.474 1.071 -2.495 342 HG11 VAL 70 1HG1 VAL 70 -0.390 0.529 -4.740 343 HG12 VAL 70 2HG1 VAL 70 0.572 2.035 -4.876 344 HG13 VAL 70 3HG1 VAL 70 1.245 0.435 -5.380 345 HG21 VAL 70 3HG2 VAL 70 1.871 -1.090 -4.065 346 HG22 VAL 70 1HG2 VAL 70 1.330 -1.216 -2.333 347 HG23 VAL 70 2HG2 VAL 70 0.122 -1.113 -3.627 348 H GLU 71 H GLU 71 2.350 3.358 -4.368 349 HA GLU 71 HA GLU 71 2.850 5.257 -2.093 350 HB2 GLU 71 2HB GLU 71 5.021 4.233 -3.065 351 HB3 GLU 71 3HB GLU 71 4.573 4.990 -4.588 352 HG2 GLU 71 2HG GLU 71 4.718 7.193 -3.725 353 HG3 GLU 71 3HG GLU 71 4.830 6.639 -2.074 354 H PHE 72 H PHE 72 2.220 7.288 -2.592 355 HA PHE 72 HA PHE 72 1.184 7.946 -5.309 356 HD1 PHE 72 HD2 PHE 72 -0.871 6.478 -5.669 357 HD2 PHE 72 HD1 PHE 72 -1.263 7.238 -1.460 358 HE1 PHE 72 HE2 PHE 72 -2.235 4.402 -5.405 359 HE2 PHE 72 HE1 PHE 72 -2.713 5.239 -1.239 360 HZ PHE 72 HZ PHE 72 -3.140 3.798 -3.196 361 HB2 PHE 72 2HB PHE 72 -0.121 8.781 -2.731 362 HB3 PHE 72 3HB PHE 72 -0.716 8.956 -4.368 363 H GLU 73 H GLU 73 1.070 10.249 -5.762 364 HA GLU 73 HA GLU 73 3.362 11.673 -4.523 365 HB2 GLU 73 2HB GLU 73 3.304 13.181 -6.396 366 HB3 GLU 73 3HB GLU 73 3.499 11.501 -6.868 367 HG2 GLU 73 2HG GLU 73 1.060 11.425 -7.482 368 HG3 GLU 73 3HG GLU 73 0.898 13.107 -6.991 369 H GLU 74 H GLU 74 0.042 11.458 -3.999 370 HA GLU 74 HA GLU 74 0.027 14.020 -2.517 371 HB2 GLU 74 2HB GLU 74 -2.383 14.346 -3.339 372 HB3 GLU 74 3HB GLU 74 -1.059 14.803 -4.391 373 HG2 GLU 74 2HG GLU 74 -2.891 13.724 -5.617 374 HG3 GLU 74 3HG GLU 74 -1.358 12.895 -5.816 375 H ALA 75 H ALA 75 -1.872 14.161 -0.998 376 HA ALA 75 HA ALA 75 -1.708 11.696 0.590 377 HB1 ALA 75 1HB ALA 75 -2.586 14.507 1.318 378 HB2 ALA 75 2HB ALA 75 -2.293 13.158 2.443 379 HB3 ALA 75 3HB ALA 75 -0.948 13.832 1.510 380 H GLU 76 H GLU 76 -3.904 12.547 -1.674 381 HA GLU 76 HA GLU 76 -6.356 12.022 -0.090 382 HB2 GLU 76 2HB GLU 76 -5.664 13.238 -2.725 383 HB3 GLU 76 3HB GLU 76 -7.096 12.206 -2.754 384 HG2 GLU 76 2HG GLU 76 -6.580 14.297 -0.622 385 HG3 GLU 76 3HG GLU 76 -7.413 14.703 -2.141 386 H SER 77 H SER 77 -4.589 10.545 -2.861 387 HA SER 77 HA SER 77 -6.154 8.124 -2.893 388 HG SER 77 HG SER 77 -3.737 6.278 -3.934 389 HB2 SER 77 2HB SER 77 -4.502 8.790 -4.660 390 HB3 SER 77 3HB SER 77 -3.214 8.313 -3.554 391 H ALA 78 H ALA 78 -3.361 9.197 -0.937 392 HA ALA 78 HA ALA 78 -3.006 6.715 0.443 393 HB1 ALA 78 1HB ALA 78 -2.363 9.459 1.559 394 HB2 ALA 78 2HB ALA 78 -1.537 7.897 1.828 395 HB3 ALA 78 3HB ALA 78 -1.440 8.708 0.241 396 H ALA 79 H ALA 79 -4.747 9.720 1.541 397 HA ALA 79 HA ALA 79 -5.830 8.692 3.916 398 HB1 ALA 79 1HB ALA 79 -7.544 10.457 3.642 399 HB2 ALA 79 2HB ALA 79 -5.906 11.049 3.321 400 HB3 ALA 79 3HB ALA 79 -7.010 10.714 1.965 401 H LYS 80 H LYS 80 -7.336 8.536 0.605 402 HA LYS 80 HA LYS 80 -9.492 6.949 1.690 403 HB2 LYS 80 2HB LYS 80 -10.293 6.606 -0.506 404 HB3 LYS 80 3HB LYS 80 -9.713 8.267 -0.397 405 HG2 LYS 80 2HG LYS 80 -7.570 7.404 -1.526 406 HG3 LYS 80 3HG LYS 80 -8.392 5.869 -1.742 407 HD2 LYS 80 2HD LYS 80 -8.790 6.861 -3.782 408 HD3 LYS 80 3HD LYS 80 -10.252 7.323 -2.941 409 HE2 LYS 80 2HE LYS 80 -7.801 9.028 -3.618 410 HE3 LYS 80 3HE LYS 80 -9.392 9.128 -4.336 411 HZ1 LYS 80 3HZ LYS 80 -9.192 10.894 -2.681 412 HZ2 LYS 80 1HZ LYS 80 -10.254 9.818 -2.101 413 HZ3 LYS 80 2HZ LYS 80 -8.706 9.854 -1.539 414 H ALA 81 H ALA 81 -6.449 5.969 0.099 415 HA ALA 81 HA ALA 81 -7.011 3.236 -0.064 416 HB1 ALA 81 1HB ALA 81 -4.341 4.540 0.565 417 HB2 ALA 81 2HB ALA 81 -4.574 2.855 0.054 418 HB3 ALA 81 3HB ALA 81 -5.001 4.168 -1.033 419 H ILE 82 H ILE 82 -5.566 5.066 2.687 420 HA ILE 82 HA ILE 82 -5.451 3.082 4.622 421 HB ILE 82 HB ILE 82 -6.145 6.005 4.942 422 HG12 ILE 82 2HG1 ILE 82 -3.535 4.895 5.898 423 HG13 ILE 82 3HG1 ILE 82 -3.704 5.038 4.163 424 HG21 ILE 82 1HG2 ILE 82 -5.487 5.787 7.340 425 HG22 ILE 82 2HG2 ILE 82 -6.946 4.883 6.965 426 HG23 ILE 82 3HG2 ILE 82 -5.395 4.029 7.140 427 HD11 ILE 82 3HD1 ILE 82 -4.370 7.409 4.458 428 HD12 ILE 82 1HD1 ILE 82 -4.112 7.269 6.199 429 HD13 ILE 82 2HD1 ILE 82 -2.734 7.075 5.079 430 H GLU 83 H GLU 83 -8.246 5.342 4.164 431 HA GLU 83 HA GLU 83 -9.893 3.920 6.009 432 HB2 GLU 83 2HB GLU 83 -10.591 5.824 3.776 433 HB3 GLU 83 3HB GLU 83 -11.750 5.243 4.978 434 HG2 GLU 83 2HG GLU 83 -9.186 6.790 5.625 435 HG3 GLU 83 3HG GLU 83 -10.795 7.481 5.508 436 H GLU 84 H GLU 84 -9.262 3.203 2.649 437 HA GLU 84 HA GLU 84 -11.602 1.519 2.149 438 HB2 GLU 84 2HB GLU 84 -8.974 1.993 0.694 439 HB3 GLU 84 3HB GLU 84 -10.150 0.830 0.131 440 HG2 GLU 84 2HG GLU 84 -11.005 3.687 0.545 441 HG3 GLU 84 3HG GLU 84 -10.065 3.252 -0.874 442 H VAL 85 H VAL 85 -8.165 0.919 2.989 443 HA VAL 85 HA VAL 85 -8.780 -1.962 3.467 444 HB VAL 85 HB VAL 85 -8.407 -1.671 1.122 445 HG11 VAL 85 1HG1 VAL 85 -6.982 0.188 0.904 446 HG12 VAL 85 2HG1 VAL 85 -5.696 -0.582 1.833 447 HG13 VAL 85 3HG1 VAL 85 -6.112 -1.200 0.231 448 HG21 VAL 85 3HG2 VAL 85 -7.728 -3.797 2.238 449 HG22 VAL 85 1HG2 VAL 85 -6.923 -3.455 0.700 450 HG23 VAL 85 2HG2 VAL 85 -6.055 -3.192 2.216 451 H HIS 86 H HIS 86 -7.080 0.699 4.744 452 HA HIS 86 HA HIS 86 -4.896 -0.789 5.971 453 HD1 HIS 86 HD1 HIS 86 -2.660 1.781 6.954 454 HD2 HIS 86 HD2 HIS 86 -5.649 0.533 9.618 455 HE1 HIS 86 HE1 HIS 86 -1.506 1.452 9.226 456 HB2 HIS 86 2HB HIS 86 -5.003 1.690 5.927 457 HB3 HIS 86 3HB HIS 86 -6.327 1.649 7.091 458 H GLY 87 H GLY 87 -5.155 -2.469 7.346 459 HA2 GLY 87 2HA GLY 87 -5.461 -3.184 9.591 460 HA3 GLY 87 3HA GLY 87 -6.748 -2.001 9.816 461 H LYS 88 H LYS 88 -7.344 -3.257 6.896 462 HA LYS 88 HA LYS 88 -9.374 -5.248 7.668 463 HB2 LYS 88 2HB LYS 88 -8.502 -3.665 5.241 464 HB3 LYS 88 3HB LYS 88 -9.277 -5.162 4.972 465 HG2 LYS 88 2HG LYS 88 -10.976 -3.479 4.931 466 HG3 LYS 88 3HG LYS 88 -11.214 -4.401 6.412 467 HD2 LYS 88 2HD LYS 88 -11.535 -2.259 7.189 468 HD3 LYS 88 3HD LYS 88 -9.810 -2.407 7.513 469 HE2 LYS 88 2HE LYS 88 -9.385 -1.311 5.275 470 HE3 LYS 88 3HE LYS 88 -11.128 -1.074 5.105 471 HZ1 LYS 88 3HZ LYS 88 -9.352 0.104 7.178 472 HZ2 LYS 88 1HZ LYS 88 -10.176 0.914 6.004 473 HZ3 LYS 88 2HZ LYS 88 -10.991 0.223 7.231 474 H SER 89 H SER 89 -9.182 -7.338 7.174 475 HA SER 89 HA SER 89 -6.447 -8.380 7.218 476 HG SER 89 HG SER 89 -9.629 -10.149 6.883 477 HB2 SER 89 2HB SER 89 -7.552 -10.532 7.792 478 HB3 SER 89 3HB SER 89 -7.850 -9.193 8.902 479 H PHE 90 H PHE 90 -5.531 -8.298 5.128 480 HA PHE 90 HA PHE 90 -7.020 -9.716 2.973 481 HD1 PHE 90 HD2 PHE 90 -4.039 -10.570 1.110 482 HD2 PHE 90 HD1 PHE 90 -7.122 -7.593 0.652 483 HE1 PHE 90 HE2 PHE 90 -4.600 -11.492 -1.125 484 HE2 PHE 90 HE1 PHE 90 -7.632 -8.473 -1.612 485 HZ PHE 90 HZ PHE 90 -6.400 -10.447 -2.483 486 HB2 PHE 90 2HB PHE 90 -5.875 -7.634 2.544 487 HB3 PHE 90 3HB PHE 90 -4.321 -8.375 2.778 488 H ALA 91 H ALA 91 -6.563 -11.665 2.235 489 HA ALA 91 HA ALA 91 -6.008 -13.810 2.115 490 HB1 ALA 91 1HB ALA 91 -3.621 -14.364 2.014 491 HB2 ALA 91 2HB ALA 91 -4.005 -12.890 1.118 492 HB3 ALA 91 3HB ALA 91 -3.214 -12.782 2.716 493 H ASN 92 H ASN 92 -4.224 -12.680 4.985 494 HA ASN 92 HA ASN 92 -5.423 -14.709 6.737 495 HB2 ASN 92 2HB ASN 92 -2.975 -15.384 7.436 496 HB3 ASN 92 3HB ASN 92 -3.740 -16.125 6.048 497 HD21 ASN 92 2HD2 ASN 92 -1.022 -14.006 7.024 498 HD22 ASN 92 1HD2 ASN 92 -0.432 -13.846 5.370 499 H GLN 93 H GLN 93 -4.128 -11.527 6.330 500 HA GLN 93 HA GLN 93 -4.429 -10.848 9.138 501 HB2 GLN 93 2HB GLN 93 -2.036 -10.310 9.545 502 HB3 GLN 93 3HB GLN 93 -2.372 -12.012 9.416 503 HG2 GLN 93 2HG GLN 93 -1.570 -11.705 6.915 504 HG3 GLN 93 3HG GLN 93 -0.892 -10.199 7.516 505 HE21 GLN 93 2HE2 GLN 93 1.246 -10.422 8.380 506 HE22 GLN 93 1HE2 GLN 93 1.893 -11.992 8.844 507 HA PRO 94 HA PRO 94 -4.905 -7.013 7.356 508 HB2 PRO 94 2HB PRO 94 -4.426 -5.149 9.356 509 HB3 PRO 94 3HB PRO 94 -5.791 -6.310 9.398 510 HG2 PRO 94 2HG PRO 94 -3.036 -6.631 10.649 511 HG3 PRO 94 3HG PRO 94 -4.636 -6.816 11.450 512 HD2 PRO 94 2HD PRO 94 -3.269 -8.931 10.535 513 HD3 PRO 94 3HD PRO 94 -5.038 -8.839 10.265 514 H LEU 95 H LEU 95 -4.315 -5.389 6.300 515 HA LEU 95 HA LEU 95 -1.645 -4.915 5.391 516 HG LEU 95 HG LEU 95 -3.991 -3.810 2.745 517 HB2 LEU 95 2HB LEU 95 -4.321 -3.457 5.260 518 HB3 LEU 95 3HB LEU 95 -2.917 -2.826 4.507 519 HD11 LEU 95 1HD1 LEU 95 -2.839 -5.631 1.888 520 HD12 LEU 95 2HD1 LEU 95 -1.656 -4.721 2.859 521 HD13 LEU 95 3HD1 LEU 95 -2.402 -6.220 3.474 522 HD21 LEU 95 3HD2 LEU 95 -5.153 -5.679 2.576 523 HD22 LEU 95 1HD2 LEU 95 -4.670 -6.293 4.193 524 HD23 LEU 95 2HD2 LEU 95 -5.731 -4.862 4.023 525 H GLU 96 H GLU 96 -0.404 -2.948 5.503 526 HA GLU 96 HA GLU 96 -1.064 -1.027 7.667 527 HB2 GLU 96 2HB GLU 96 0.908 -2.654 8.098 528 HB3 GLU 96 3HB GLU 96 1.794 -1.701 6.902 529 HG2 GLU 96 2HG GLU 96 0.918 0.331 8.356 530 HG3 GLU 96 3HG GLU 96 0.712 -0.879 9.607 531 H VAL 97 H VAL 97 -2.145 -0.689 5.413 532 HA VAL 97 HA VAL 97 -0.859 0.728 3.258 533 HB VAL 97 HB VAL 97 -3.675 0.574 4.355 534 HG11 VAL 97 1HG1 VAL 97 -3.628 2.621 2.984 535 HG12 VAL 97 2HG1 VAL 97 -2.985 1.682 1.615 536 HG13 VAL 97 3HG1 VAL 97 -4.585 1.341 2.236 537 HG21 VAL 97 3HG2 VAL 97 -2.972 -0.609 1.663 538 HG22 VAL 97 1HG2 VAL 97 -2.246 -1.393 3.050 539 HG23 VAL 97 2HG2 VAL 97 -4.003 -1.253 2.962 540 H VAL 98 H VAL 98 0.367 2.720 4.061 541 HA VAL 98 HA VAL 98 -1.288 4.641 5.538 542 HB VAL 98 HB VAL 98 -0.541 2.498 6.904 543 HG11 VAL 98 1HG1 VAL 98 1.299 2.367 8.150 544 HG12 VAL 98 2HG1 VAL 98 1.924 2.588 6.511 545 HG13 VAL 98 3HG1 VAL 98 1.939 3.905 7.745 546 HG21 VAL 98 3HG2 VAL 98 -1.965 4.053 7.586 547 HG22 VAL 98 1HG2 VAL 98 -0.804 3.731 8.893 548 HG23 VAL 98 2HG2 VAL 98 -0.676 5.252 7.953 549 H TYR 99 H TYR 99 1.569 5.069 6.762 550 HA TYR 99 HA TYR 99 2.837 6.735 4.657 551 HD1 TYR 99 HD1 TYR 99 1.016 8.156 4.822 552 HD2 TYR 99 HD2 TYR 99 1.758 8.269 9.076 553 HE1 TYR 99 HE1 TYR 99 -1.147 9.301 5.157 554 HE2 TYR 99 HE2 TYR 99 -0.424 9.415 9.412 555 HH TYR 99 HH TYR 99 -2.604 10.203 6.676 556 HB2 TYR 99 2HB TYR 99 3.088 6.908 7.686 557 HB3 TYR 99 3HB TYR 99 3.667 8.077 6.517 558 H SER 100 H SER 100 3.411 4.300 4.084 559 HA SER 100 HA SER 100 5.079 2.772 5.596 560 HG SER 100 HG SER 100 7.077 1.577 3.285 561 HB2 SER 100 2HB SER 100 4.322 1.992 3.422 562 HB3 SER 100 3HB SER 100 5.606 2.854 2.688 563 H LYS 101 H LYS 101 7.272 2.812 6.196 564 HA LYS 101 HA LYS 101 8.327 5.429 6.593 565 HB2 LYS 101 2HB LYS 101 9.984 2.931 7.004 566 HB3 LYS 101 3HB LYS 101 9.937 4.400 7.971 567 HG2 LYS 101 2HG LYS 101 7.865 2.168 7.862 568 HG3 LYS 101 3HG LYS 101 8.951 2.522 9.187 569 HD2 LYS 101 2HD LYS 101 7.774 4.436 9.861 570 HD3 LYS 101 3HD LYS 101 6.936 4.630 8.330 571 HE2 LYS 101 2HE LYS 101 6.466 2.238 10.154 572 HE3 LYS 101 3HE LYS 101 5.561 3.746 10.307 573 HZ1 LYS 101 3HZ LYS 101 4.392 2.108 8.903 574 HZ2 LYS 101 1HZ LYS 101 4.776 3.474 8.037 575 HZ3 LYS 101 2HZ LYS 101 5.623 2.069 7.865 576 H LEU 102 H LEU 102 10.082 6.518 5.747 577 HA LEU 102 HA LEU 102 10.403 6.448 3.042 578 HG LEU 102 HG LEU 102 10.178 8.581 5.257 579 HB2 LEU 102 2HB LEU 102 12.426 7.494 5.056 580 HB3 LEU 102 3HB LEU 102 12.434 7.871 3.340 581 HD11 LEU 102 1HD1 LEU 102 12.330 10.336 4.016 582 HD12 LEU 102 2HD1 LEU 102 10.988 10.880 5.047 583 HD13 LEU 102 3HD1 LEU 102 12.248 9.835 5.719 584 HD21 LEU 102 3HD2 LEU 102 9.402 10.065 3.427 585 HD22 LEU 102 1HD2 LEU 102 10.663 9.408 2.353 586 HD23 LEU 102 2HD2 LEU 102 9.340 8.372 2.942 587 HA PRO 103 HA PRO 103 14.432 3.698 3.105 588 HB2 PRO 103 2HB PRO 103 13.548 1.830 5.311 589 HB3 PRO 103 3HB PRO 103 15.209 2.261 4.799 590 HG2 PRO 103 2HG PRO 103 14.146 3.400 7.004 591 HG3 PRO 103 3HG PRO 103 15.028 4.428 5.818 592 HD2 PRO 103 2HD PRO 103 12.045 4.004 6.092 593 HD3 PRO 103 3HD PRO 103 12.946 5.538 5.922 594 H ALA 104 H ALA 104 11.076 2.736 3.374 595 HA ALA 104 HA ALA 104 11.430 0.438 1.511 596 HB1 ALA 104 1HB ALA 104 10.074 -0.953 2.983 597 HB2 ALA 104 2HB ALA 104 11.506 -0.393 3.850 598 HB3 ALA 104 3HB ALA 104 9.928 0.366 4.164 Start of MODEL 19 1 H GLU 28 H GLU 28 8.317 13.192 10.562 2 HA GLU 28 HA GLU 28 6.551 13.966 9.134 3 HB2 GLU 28 2HB GLU 28 8.854 15.130 7.511 4 HB3 GLU 28 3HB GLU 28 7.257 14.829 6.848 5 HG2 GLU 28 2HG GLU 28 7.231 17.085 7.368 6 HG3 GLU 28 3HG GLU 28 6.248 16.308 8.600 7 H LEU 29 H LEU 29 6.162 13.000 6.808 8 HA LEU 29 HA LEU 29 7.654 10.490 6.340 9 HG LEU 29 HG LEU 29 5.100 8.177 7.738 10 HB2 LEU 29 2HB LEU 29 5.312 10.576 7.950 11 HB3 LEU 29 3HB LEU 29 4.719 10.110 6.389 12 HD11 LEU 29 1HD1 LEU 29 6.339 6.758 6.341 13 HD12 LEU 29 2HD1 LEU 29 5.869 8.042 5.284 14 HD13 LEU 29 3HD1 LEU 29 7.518 8.025 5.912 15 HD21 LEU 29 3HD2 LEU 29 6.753 9.102 9.290 16 HD22 LEU 29 1HD2 LEU 29 7.236 7.525 8.644 17 HD23 LEU 29 2HD2 LEU 29 8.002 9.003 8.028 18 H SER 30 H SER 30 6.580 9.351 4.373 19 HA SER 30 HA SER 30 6.542 10.838 2.039 20 HG SER 30 HG SER 30 6.625 7.290 2.925 21 HB2 SER 30 2HB SER 30 4.907 8.328 2.487 22 HB3 SER 30 3HB SER 30 5.705 8.850 0.989 23 H ASN 31 H ASN 31 3.878 10.463 4.278 24 HA ASN 31 HA ASN 31 1.687 10.900 4.330 25 HB2 ASN 31 2HB ASN 31 1.848 12.980 2.202 26 HB3 ASN 31 3HB ASN 31 0.913 12.960 3.678 27 HD21 ASN 31 1HD2 ASN 31 3.734 14.068 2.161 28 HD22 ASN 31 2HD2 ASN 31 4.526 14.715 3.588 29 H THR 32 H THR 32 2.778 9.226 1.758 30 HA THR 32 HA THR 32 0.175 9.189 0.270 31 HB THR 32 HB THR 32 1.499 9.428 -1.809 32 HG1 THR 32 1HG THR 32 3.628 10.359 -0.259 33 HG21 THR 32 1HG2 THR 32 0.484 11.454 -0.857 34 HG22 THR 32 2HG2 THR 32 1.987 11.789 0.026 35 HG23 THR 32 3HG2 THR 32 1.996 11.765 -1.735 36 H ARG 33 H ARG 33 1.689 6.761 1.832 37 HA ARG 33 HA ARG 33 2.010 5.131 -0.619 38 HE ARG 33 HE ARG 33 6.767 6.901 -2.389 39 HB2 ARG 33 2HB ARG 33 4.205 5.576 1.357 40 HB3 ARG 33 3HB ARG 33 4.087 4.080 0.391 41 HG2 ARG 33 2HG ARG 33 4.251 5.068 -1.566 42 HG3 ARG 33 3HG ARG 33 4.110 6.731 -0.888 43 HD2 ARG 33 2HD ARG 33 6.314 6.679 -0.094 44 HD3 ARG 33 3HD ARG 33 6.438 4.914 -0.228 45 HH11 ARG 33 2HH1 ARG 33 6.063 3.525 -1.857 46 HH12 ARG 33 1HH1 ARG 33 6.220 3.144 -3.550 47 HH21 ARG 33 1HH2 ARG 33 7.124 6.378 -4.377 48 HH22 ARG 33 2HH2 ARG 33 7.078 4.740 -5.000 49 H LEU 34 H LEU 34 1.361 3.265 -0.712 50 HA LEU 34 HA LEU 34 0.299 2.095 1.759 51 HG LEU 34 HG LEU 34 -2.540 2.601 -0.526 52 HB2 LEU 34 2HB LEU 34 -0.430 1.152 -0.933 53 HB3 LEU 34 3HB LEU 34 -1.324 1.021 0.544 54 HD11 LEU 34 1HD1 LEU 34 -0.744 4.781 0.469 55 HD12 LEU 34 2HD1 LEU 34 -2.483 4.593 0.578 56 HD13 LEU 34 3HD1 LEU 34 -1.463 3.653 1.639 57 HD21 LEU 34 3HD2 LEU 34 -1.192 4.544 -1.847 58 HD22 LEU 34 1HD2 LEU 34 -0.032 3.237 -1.978 59 HD23 LEU 34 2HD2 LEU 34 -1.673 2.994 -2.564 60 H PHE 35 H PHE 35 1.624 0.895 2.781 61 HA PHE 35 HA PHE 35 3.529 -0.845 1.341 62 HD1 PHE 35 HD1 PHE 35 4.864 -2.639 2.340 63 HD2 PHE 35 HD2 PHE 35 5.459 0.257 5.493 64 HE1 PHE 35 HE1 PHE 35 6.750 -3.954 3.195 65 HE2 PHE 35 HE2 PHE 35 7.335 -1.101 6.365 66 HZ PHE 35 HZ PHE 35 8.005 -3.200 5.205 67 HB2 PHE 35 2HB PHE 35 4.476 0.630 2.714 68 HB3 PHE 35 3HB PHE 35 3.522 0.527 4.028 69 H VAL 36 H VAL 36 2.649 -2.627 0.761 70 HA VAL 36 HA VAL 36 1.050 -4.198 2.734 71 HB VAL 36 HB VAL 36 -0.539 -4.717 0.937 72 HG11 VAL 36 1HG1 VAL 36 -1.768 -2.623 1.222 73 HG12 VAL 36 2HG1 VAL 36 -0.913 -3.001 2.746 74 HG13 VAL 36 3HG1 VAL 36 -0.291 -1.752 1.666 75 HG21 VAL 36 3HG2 VAL 36 0.443 -2.146 -0.352 76 HG22 VAL 36 1HG2 VAL 36 0.964 -3.772 -0.905 77 HG23 VAL 36 2HG2 VAL 36 -0.760 -3.365 -0.924 78 H ARG 37 H ARG 37 1.481 -6.139 2.874 79 HA ARG 37 HA ARG 37 3.318 -7.598 1.042 80 HE ARG 37 HE ARG 37 4.641 -6.708 7.216 81 HB2 ARG 37 2HB ARG 37 4.967 -7.787 2.975 82 HB3 ARG 37 3HB ARG 37 4.818 -6.201 2.240 83 HG2 ARG 37 2HG ARG 37 3.700 -5.254 4.058 84 HG3 ARG 37 3HG ARG 37 3.150 -6.804 4.671 85 HD2 ARG 37 2HD ARG 37 5.555 -7.361 5.224 86 HD3 ARG 37 3HD ARG 37 5.980 -5.697 4.825 87 HH11 ARG 37 1HH1 ARG 37 5.004 -3.680 5.395 88 HH12 ARG 37 2HH1 ARG 37 4.469 -2.775 6.802 89 HH21 ARG 37 1HH2 ARG 37 3.977 -5.319 8.878 90 HH22 ARG 37 2HH2 ARG 37 3.969 -3.585 8.539 91 HA PRO 38 HA PRO 38 1.205 -10.558 4.173 92 HB2 PRO 38 2HB PRO 38 -1.384 -10.962 3.528 93 HB3 PRO 38 3HB PRO 38 -0.894 -9.528 4.495 94 HG2 PRO 38 2HG PRO 38 -1.338 -9.614 1.516 95 HG3 PRO 38 3HG PRO 38 -2.135 -8.602 2.728 96 HD2 PRO 38 2HD PRO 38 0.104 -7.724 1.421 97 HD3 PRO 38 3HD PRO 38 -0.079 -7.375 3.167 98 H PHE 39 H PHE 39 0.796 -10.133 0.733 99 HA PHE 39 HA PHE 39 -0.074 -12.757 0.061 100 HD1 PHE 39 HD1 PHE 39 2.156 -9.292 -1.349 101 HD2 PHE 39 HD2 PHE 39 -2.087 -9.991 -1.172 102 HE1 PHE 39 HE1 PHE 39 1.753 -6.844 -1.214 103 HE2 PHE 39 HE2 PHE 39 -2.481 -7.556 -0.880 104 HZ PHE 39 HZ PHE 39 -0.570 -5.969 -1.011 105 HB2 PHE 39 2HB PHE 39 1.069 -11.427 -2.197 106 HB3 PHE 39 3HB PHE 39 -0.604 -11.758 -1.831 107 HA PRO 40 HA PRO 40 3.880 -14.728 -0.852 108 HB2 PRO 40 2HB PRO 40 3.162 -16.486 -2.851 109 HB3 PRO 40 3HB PRO 40 2.745 -16.732 -1.145 110 HG2 PRO 40 2HG PRO 40 1.034 -15.519 -3.347 111 HG3 PRO 40 3HG PRO 40 0.563 -16.772 -2.154 112 HD2 PRO 40 2HD PRO 40 -0.035 -14.120 -1.850 113 HD3 PRO 40 3HD PRO 40 0.322 -15.173 -0.452 114 H LEU 41 H LEU 41 5.012 -15.331 -3.128 115 HA LEU 41 HA LEU 41 5.816 -12.882 -4.204 116 HG LEU 41 HG LEU 41 8.396 -15.728 -4.488 117 HB2 LEU 41 2HB LEU 41 6.128 -15.625 -5.453 118 HB3 LEU 41 3HB LEU 41 7.146 -14.202 -5.727 119 HD11 LEU 41 1HD1 LEU 41 7.422 -13.606 -2.544 120 HD12 LEU 41 2HD1 LEU 41 8.897 -14.578 -2.359 121 HD13 LEU 41 3HD1 LEU 41 8.752 -13.471 -3.726 122 HD21 LEU 41 3HD2 LEU 41 7.878 -16.841 -2.507 123 HD22 LEU 41 1HD2 LEU 41 6.440 -15.880 -2.183 124 HD23 LEU 41 2HD2 LEU 41 6.452 -17.058 -3.531 125 H ASP 42 H ASP 42 3.101 -14.723 -5.095 126 HA ASP 42 HA ASP 42 2.830 -14.233 -7.860 127 HB2 ASP 42 2HB ASP 42 0.694 -14.807 -5.780 128 HB3 ASP 42 3HB ASP 42 0.538 -15.036 -7.516 129 H VAL 43 H VAL 43 2.151 -11.920 -5.287 130 HA VAL 43 HA VAL 43 -0.061 -10.548 -6.480 131 HB VAL 43 HB VAL 43 0.460 -10.168 -4.191 132 HG11 VAL 43 1HG1 VAL 43 3.130 -9.051 -5.113 133 HG12 VAL 43 2HG1 VAL 43 2.437 -8.686 -3.544 134 HG13 VAL 43 3HG1 VAL 43 2.798 -10.361 -3.949 135 HG21 VAL 43 3HG2 VAL 43 0.245 -7.780 -4.013 136 HG22 VAL 43 1HG2 VAL 43 0.917 -7.525 -5.630 137 HG23 VAL 43 2HG2 VAL 43 -0.661 -8.316 -5.425 138 H GLN 44 H GLN 44 -0.265 -8.723 -7.779 139 HA GLN 44 HA GLN 44 2.102 -7.696 -9.231 140 HB2 GLN 44 2HB GLN 44 -0.307 -8.658 -10.785 141 HB3 GLN 44 3HB GLN 44 1.220 -8.093 -11.418 142 HG2 GLN 44 2HG GLN 44 0.696 -10.740 -10.048 143 HG3 GLN 44 3HG GLN 44 0.921 -10.480 -11.758 144 HE21 GLN 44 2HE2 GLN 44 2.472 -11.933 -9.457 145 HE22 GLN 44 1HE2 GLN 44 4.142 -11.490 -9.814 146 H GLU 45 H GLU 45 1.353 -5.955 -10.811 147 HA GLU 45 HA GLU 45 -0.043 -3.832 -9.590 148 HB2 GLU 45 2HB GLU 45 1.547 -3.671 -11.479 149 HB3 GLU 45 3HB GLU 45 0.355 -4.416 -12.549 150 HG2 GLU 45 2HG GLU 45 -1.158 -2.517 -12.245 151 HG3 GLU 45 3HG GLU 45 -0.088 -1.807 -11.035 152 H SER 46 H SER 46 -1.475 -6.524 -11.496 153 HA SER 46 HA SER 46 -4.083 -5.368 -11.747 154 HG SER 46 HG SER 46 -2.635 -8.813 -11.247 155 HB2 SER 46 2HB SER 46 -4.651 -7.979 -11.854 156 HB3 SER 46 3HB SER 46 -3.870 -7.109 -13.176 157 H GLU 47 H GLU 47 -2.555 -7.050 -8.983 158 HA GLU 47 HA GLU 47 -5.101 -7.709 -7.645 159 HB2 GLU 47 2HB GLU 47 -2.105 -8.174 -7.313 160 HB3 GLU 47 3HB GLU 47 -3.157 -8.356 -5.955 161 HG2 GLU 47 2HG GLU 47 -2.772 -10.493 -7.044 162 HG3 GLU 47 3HG GLU 47 -4.479 -10.039 -7.106 163 H LEU 48 H LEU 48 -2.244 -5.608 -7.449 164 HA LEU 48 HA LEU 48 -3.090 -3.983 -5.238 165 HG LEU 48 HG LEU 48 -0.639 -5.416 -6.042 166 HB2 LEU 48 2HB LEU 48 -1.359 -3.356 -7.639 167 HB3 LEU 48 3HB LEU 48 -1.385 -2.472 -6.226 168 HD11 LEU 48 1HD1 LEU 48 1.687 -4.790 -6.295 169 HD12 LEU 48 2HD1 LEU 48 0.785 -4.430 -7.767 170 HD13 LEU 48 3HD1 LEU 48 1.232 -3.112 -6.671 171 HD21 LEU 48 3HD2 LEU 48 -0.938 -4.102 -3.984 172 HD22 LEU 48 1HD2 LEU 48 0.708 -4.652 -4.269 173 HD23 LEU 48 2HD2 LEU 48 0.293 -2.917 -4.623 174 H ASN 49 H ASN 49 -3.661 -3.831 -8.804 175 HA ASN 49 HA ASN 49 -5.278 -1.455 -8.741 176 HB2 ASN 49 2HB ASN 49 -4.942 -3.677 -10.699 177 HB3 ASN 49 3HB ASN 49 -6.490 -2.870 -10.756 178 HD21 ASN 49 2HD2 ASN 49 -3.010 -2.284 -10.950 179 HD22 ASN 49 1HD2 ASN 49 -3.174 -0.844 -11.957 180 H GLU 50 H GLU 50 -6.340 -4.875 -8.267 181 HA GLU 50 HA GLU 50 -9.079 -4.246 -7.739 182 HB2 GLU 50 2HB GLU 50 -7.179 -6.438 -7.010 183 HB3 GLU 50 3HB GLU 50 -8.678 -6.345 -6.093 184 HG2 GLU 50 2HG GLU 50 -8.474 -6.431 -9.154 185 HG3 GLU 50 3HG GLU 50 -8.677 -7.854 -8.148 186 H ILE 51 H ILE 51 -6.264 -4.098 -5.565 187 HA ILE 51 HA ILE 51 -7.849 -3.554 -3.183 188 HB ILE 51 HB ILE 51 -4.927 -3.460 -3.882 189 HG12 ILE 51 2HG1 ILE 51 -6.399 -5.408 -2.040 190 HG13 ILE 51 3HG1 ILE 51 -6.201 -5.717 -3.752 191 HG21 ILE 51 1HG2 ILE 51 -5.219 -1.907 -2.005 192 HG22 ILE 51 2HG2 ILE 51 -6.192 -3.116 -1.134 193 HG23 ILE 51 3HG2 ILE 51 -4.454 -3.367 -1.416 194 HD11 ILE 51 3HD1 ILE 51 -4.488 -6.931 -2.624 195 HD12 ILE 51 1HD1 ILE 51 -3.694 -5.585 -3.450 196 HD13 ILE 51 2HD1 ILE 51 -3.969 -5.521 -1.696 197 H PHE 52 H PHE 52 -5.936 -1.501 -5.382 198 HA PHE 52 HA PHE 52 -6.346 0.892 -3.749 199 HD1 PHE 52 HD1 PHE 52 -4.488 1.547 -2.417 200 HD2 PHE 52 HD2 PHE 52 -2.820 -0.975 -5.468 201 HE1 PHE 52 HE1 PHE 52 -3.148 0.359 -0.697 202 HE2 PHE 52 HE2 PHE 52 -1.449 -2.089 -3.751 203 HZ PHE 52 HZ PHE 52 -1.593 -1.492 -1.449 204 HB2 PHE 52 2HB PHE 52 -4.607 0.324 -6.006 205 HB3 PHE 52 3HB PHE 52 -4.635 1.886 -5.145 206 H GLY 53 H GLY 53 -7.283 -0.367 -6.903 207 HA2 GLY 53 2HA GLY 53 -8.072 1.868 -8.367 208 HA3 GLY 53 3HA GLY 53 -8.832 0.279 -8.410 209 HA PRO 54 HA PRO 54 -12.366 1.819 -6.031 210 HB2 PRO 54 2HB PRO 54 -11.396 1.359 -3.226 211 HB3 PRO 54 3HB PRO 54 -12.935 0.857 -3.987 212 HG2 PRO 54 2HG PRO 54 -10.970 -0.957 -3.555 213 HG3 PRO 54 3HG PRO 54 -11.860 -0.968 -5.120 214 HD2 PRO 54 2HD PRO 54 -9.227 0.373 -4.465 215 HD3 PRO 54 3HD PRO 54 -9.539 -0.781 -5.786 216 H PHE 55 H PHE 55 -9.276 2.981 -4.754 217 HA PHE 55 HA PHE 55 -10.398 5.417 -3.547 218 HD1 PHE 55 HD2 PHE 55 -10.313 3.963 -1.829 219 HD2 PHE 55 HD1 PHE 55 -6.268 3.133 -3.067 220 HE1 PHE 55 HE2 PHE 55 -10.458 1.721 -0.771 221 HE2 PHE 55 HE1 PHE 55 -6.326 1.042 -1.579 222 HZ PHE 55 HZ PHE 55 -8.444 0.312 -0.600 223 HB2 PHE 55 2HB PHE 55 -7.479 4.801 -4.015 224 HB3 PHE 55 3HB PHE 55 -8.185 5.835 -2.828 225 H GLY 56 H GLY 56 -8.307 4.495 -6.240 226 HA2 GLY 56 2HA GLY 56 -8.796 5.370 -8.387 227 HA3 GLY 56 3HA GLY 56 -9.063 6.962 -7.678 228 HA PRO 57 HA PRO 57 -5.080 8.314 -8.644 229 HB2 PRO 57 2HB PRO 57 -4.541 9.040 -5.750 230 HB3 PRO 57 3HB PRO 57 -4.326 10.033 -7.229 231 HG2 PRO 57 2HG PRO 57 -6.532 10.392 -5.780 232 HG3 PRO 57 3HG PRO 57 -6.699 10.202 -7.550 233 HD2 PRO 57 2HD PRO 57 -7.027 8.079 -5.398 234 HD3 PRO 57 3HD PRO 57 -8.137 8.534 -6.726 235 H MET 58 H MET 58 -4.792 5.379 -7.610 236 HA MET 58 HA MET 58 -2.084 4.888 -6.666 237 HB2 MET 58 2HB MET 58 -2.208 2.856 -7.885 238 HB3 MET 58 3HB MET 58 -3.482 3.104 -6.696 239 HG2 MET 58 2HG MET 58 -5.094 3.625 -8.475 240 HG3 MET 58 3HG MET 58 -3.847 3.333 -9.694 241 HE1 MET 58 3HE MET 58 -3.391 -0.568 -7.968 242 HE2 MET 58 1HE MET 58 -2.351 0.663 -8.725 243 HE3 MET 58 2HE MET 58 -3.001 0.909 -7.079 244 H LYS 59 H LYS 59 -0.485 5.983 -7.378 245 HA LYS 59 HA LYS 59 -0.118 6.597 -10.282 246 HB2 LYS 59 2HB LYS 59 -0.990 8.387 -9.110 247 HB3 LYS 59 3HB LYS 59 -0.048 8.097 -7.669 248 HG2 LYS 59 2HG LYS 59 1.132 9.205 -10.227 249 HG3 LYS 59 3HG LYS 59 0.357 10.106 -8.939 250 HD2 LYS 59 2HD LYS 59 2.975 8.601 -8.667 251 HD3 LYS 59 3HD LYS 59 2.583 10.332 -8.615 252 HE2 LYS 59 2HE LYS 59 1.044 9.788 -6.710 253 HE3 LYS 59 3HE LYS 59 2.024 8.326 -6.485 254 HZ1 LYS 59 3HZ LYS 59 3.148 11.092 -6.580 255 HZ2 LYS 59 1HZ LYS 59 2.761 10.329 -5.181 256 HZ3 LYS 59 2HZ LYS 59 3.943 9.713 -6.156 257 H GLU 60 H GLU 60 1.474 5.358 -7.421 258 HA GLU 60 HA GLU 60 3.543 4.365 -9.248 259 HB2 GLU 60 2HB GLU 60 4.265 6.573 -7.767 260 HB3 GLU 60 3HB GLU 60 4.723 5.261 -6.670 261 HG2 GLU 60 2HG GLU 60 5.607 5.148 -9.551 262 HG3 GLU 60 3HG GLU 60 6.390 6.256 -8.434 263 H VAL 61 H VAL 61 4.738 2.576 -8.482 264 HA VAL 61 HA VAL 61 3.300 0.862 -6.580 265 HB VAL 61 HB VAL 61 3.269 0.025 -9.522 266 HG11 VAL 61 1HG1 VAL 61 1.614 -1.542 -8.842 267 HG12 VAL 61 2HG1 VAL 61 2.886 -1.592 -7.601 268 HG13 VAL 61 3HG1 VAL 61 1.368 -0.747 -7.282 269 HG21 VAL 61 3HG2 VAL 61 1.914 2.012 -9.684 270 HG22 VAL 61 1HG2 VAL 61 0.925 0.563 -9.820 271 HG23 VAL 61 2HG2 VAL 61 0.913 1.490 -8.310 272 H LYS 62 H LYS 62 5.429 0.952 -5.718 273 HA LYS 62 HA LYS 62 7.625 -0.404 -7.141 274 HB2 LYS 62 2HB LYS 62 7.270 -0.165 -4.153 275 HB3 LYS 62 3HB LYS 62 8.762 -0.403 -5.018 276 HG2 LYS 62 2HG LYS 62 7.393 2.146 -5.739 277 HG3 LYS 62 3HG LYS 62 7.690 1.986 -4.043 278 HD2 LYS 62 2HD LYS 62 9.565 3.137 -5.052 279 HD3 LYS 62 3HD LYS 62 10.113 1.554 -4.506 280 HE2 LYS 62 2HE LYS 62 11.077 2.012 -6.662 281 HE3 LYS 62 3HE LYS 62 9.921 0.692 -6.856 282 HZ1 LYS 62 3HZ LYS 62 9.791 2.521 -8.577 283 HZ2 LYS 62 1HZ LYS 62 8.350 2.251 -7.838 284 HZ3 LYS 62 2HZ LYS 62 9.210 3.521 -7.407 285 H ILE 63 H ILE 63 7.713 -2.568 -7.381 286 HA ILE 63 HA ILE 63 6.315 -4.310 -5.438 287 HB ILE 63 HB ILE 63 6.217 -4.856 -8.430 288 HG12 ILE 63 2HG1 ILE 63 4.041 -3.790 -6.575 289 HG13 ILE 63 3HG1 ILE 63 4.799 -2.931 -7.919 290 HG21 ILE 63 1HG2 ILE 63 4.689 -6.689 -7.775 291 HG22 ILE 63 2HG2 ILE 63 6.218 -6.877 -6.943 292 HG23 ILE 63 3HG2 ILE 63 4.825 -6.214 -6.067 293 HD11 ILE 63 3HD1 ILE 63 2.920 -5.284 -8.126 294 HD12 ILE 63 1HD1 ILE 63 2.654 -3.623 -8.644 295 HD13 ILE 63 2HD1 ILE 63 3.851 -4.614 -9.508 296 H LEU 64 H LEU 64 7.454 -5.690 -4.602 297 HA LEU 64 HA LEU 64 10.085 -6.583 -5.725 298 HG LEU 64 HG LEU 64 11.335 -4.434 -4.399 299 HB2 LEU 64 2HB LEU 64 9.345 -6.080 -2.824 300 HB3 LEU 64 3HB LEU 64 10.891 -6.605 -3.417 301 HD11 LEU 64 1HD1 LEU 64 8.545 -3.687 -3.669 302 HD12 LEU 64 2HD1 LEU 64 9.825 -2.462 -3.518 303 HD13 LEU 64 3HD1 LEU 64 9.539 -3.235 -5.072 304 HD21 LEU 64 3HD2 LEU 64 12.022 -4.894 -2.146 305 HD22 LEU 64 1HD2 LEU 64 11.568 -3.190 -2.301 306 HD23 LEU 64 2HD2 LEU 64 10.460 -4.342 -1.518 307 H ASN 65 H ASN 65 10.731 -8.623 -4.542 308 HA ASN 65 HA ASN 65 9.852 -10.853 -5.222 309 HB2 ASN 65 2HB ASN 65 10.060 -11.161 -2.284 310 HB3 ASN 65 3HB ASN 65 10.994 -11.879 -3.571 311 HD21 ASN 65 2HD2 ASN 65 12.702 -10.319 -4.609 312 HD22 ASN 65 1HD2 ASN 65 13.344 -9.076 -3.535 313 H GLY 66 H GLY 66 8.224 -10.071 -2.143 314 HA2 GLY 66 2HA GLY 66 5.556 -10.678 -3.295 315 HA3 GLY 66 3HA GLY 66 6.043 -11.480 -1.795 316 H PHE 67 H PHE 67 6.730 -8.119 -2.828 317 HA PHE 67 HA PHE 67 5.115 -7.012 -0.558 318 HD1 PHE 67 HD1 PHE 67 9.113 -8.270 -1.312 319 HD2 PHE 67 HD2 PHE 67 6.946 -6.959 2.171 320 HE1 PHE 67 HE1 PHE 67 10.122 -10.110 0.027 321 HE2 PHE 67 HE2 PHE 67 7.978 -8.766 3.509 322 HZ PHE 67 HZ PHE 67 9.561 -10.363 2.432 323 HB2 PHE 67 2HB PHE 67 7.916 -6.072 -1.204 324 HB3 PHE 67 3HB PHE 67 6.926 -5.638 0.157 325 H ALA 68 H ALA 68 4.363 -4.886 -0.886 326 HA ALA 68 HA ALA 68 4.925 -3.522 -3.489 327 HB1 ALA 68 1HB ALA 68 3.087 -4.914 -3.942 328 HB2 ALA 68 2HB ALA 68 2.279 -4.474 -2.440 329 HB3 ALA 68 3HB ALA 68 2.499 -3.250 -3.723 330 H PHE 69 H PHE 69 4.935 -1.465 -3.460 331 HA PHE 69 HA PHE 69 4.142 0.074 -1.054 332 HD1 PHE 69 HD2 PHE 69 7.085 -1.968 -2.645 333 HD2 PHE 69 HD1 PHE 69 7.199 0.259 1.012 334 HE1 PHE 69 HE2 PHE 69 8.315 -3.814 -1.572 335 HE2 PHE 69 HE1 PHE 69 8.601 -1.531 2.051 336 HZ PHE 69 HZ PHE 69 9.231 -3.565 0.672 337 HB2 PHE 69 2HB PHE 69 6.778 0.748 -2.335 338 HB3 PHE 69 3HB PHE 69 6.136 1.195 -0.790 339 H VAL 70 H VAL 70 2.389 0.661 -2.138 340 HA VAL 70 HA VAL 70 2.639 1.894 -4.789 341 HB VAL 70 HB VAL 70 0.043 1.449 -3.261 342 HG11 VAL 70 1HG1 VAL 70 -0.079 2.563 -5.606 343 HG12 VAL 70 2HG1 VAL 70 0.712 1.048 -6.194 344 HG13 VAL 70 3HG1 VAL 70 -0.877 0.961 -5.484 345 HG21 VAL 70 3HG2 VAL 70 1.074 -0.688 -3.235 346 HG22 VAL 70 1HG2 VAL 70 -0.030 -0.674 -4.616 347 HG23 VAL 70 2HG2 VAL 70 1.703 -0.424 -4.926 348 H GLU 71 H GLU 71 1.642 4.064 -5.222 349 HA GLU 71 HA GLU 71 2.040 5.923 -2.902 350 HB2 GLU 71 2HB GLU 71 4.148 5.410 -4.393 351 HB3 GLU 71 3HB GLU 71 3.277 6.381 -5.600 352 HG2 GLU 71 2HG GLU 71 3.166 8.287 -4.018 353 HG3 GLU 71 3HG GLU 71 4.110 7.367 -2.875 354 H PHE 72 H PHE 72 0.988 7.868 -3.119 355 HA PHE 72 HA PHE 72 -0.715 8.320 -5.542 356 HD1 PHE 72 HD2 PHE 72 -2.128 6.536 -5.294 357 HD2 PHE 72 HD1 PHE 72 -2.418 7.579 -1.157 358 HE1 PHE 72 HE2 PHE 72 -3.488 4.466 -4.867 359 HE2 PHE 72 HE1 PHE 72 -3.829 5.575 -0.741 360 HZ PHE 72 HZ PHE 72 -4.338 4.009 -2.587 361 HB2 PHE 72 2HB PHE 72 -1.254 8.975 -2.589 362 HB3 PHE 72 3HB PHE 72 -2.382 9.197 -3.910 363 H GLU 73 H GLU 73 -1.452 10.262 -6.075 364 HA GLU 73 HA GLU 73 0.473 12.461 -5.708 365 HB2 GLU 73 2HB GLU 73 -0.802 13.546 -7.531 366 HB3 GLU 73 3HB GLU 73 -0.053 12.007 -7.922 367 HG2 GLU 73 2HG GLU 73 -2.237 10.859 -7.693 368 HG3 GLU 73 3HG GLU 73 -3.003 12.389 -7.259 369 H GLU 74 H GLU 74 -2.384 11.511 -4.184 370 HA GLU 74 HA GLU 74 -2.585 14.161 -2.853 371 HB2 GLU 74 2HB GLU 74 -5.005 13.757 -2.468 372 HB3 GLU 74 3HB GLU 74 -4.572 14.191 -4.115 373 HG2 GLU 74 2HG GLU 74 -4.982 11.987 -4.926 374 HG3 GLU 74 3HG GLU 74 -5.036 11.305 -3.309 375 H ALA 75 H ALA 75 -2.194 14.044 -0.741 376 HA ALA 75 HA ALA 75 -1.908 11.587 0.706 377 HB1 ALA 75 1HB ALA 75 -1.764 13.067 2.672 378 HB2 ALA 75 2HB ALA 75 -0.774 13.686 1.339 379 HB3 ALA 75 3HB ALA 75 -2.349 14.439 1.704 380 H GLU 76 H GLU 76 -4.728 13.435 -0.163 381 HA GLU 76 HA GLU 76 -6.579 12.326 1.739 382 HB2 GLU 76 2HB GLU 76 -7.106 13.263 -1.093 383 HB3 GLU 76 3HB GLU 76 -8.306 13.037 0.165 384 HG2 GLU 76 2HG GLU 76 -6.084 15.122 0.089 385 HG3 GLU 76 3HG GLU 76 -7.804 15.400 -0.120 386 H SER 77 H SER 77 -5.137 10.934 -1.221 387 HA SER 77 HA SER 77 -7.005 8.659 -1.106 388 HG SER 77 HG SER 77 -5.080 6.732 -2.769 389 HB2 SER 77 2HB SER 77 -6.033 9.261 -3.274 390 HB3 SER 77 3HB SER 77 -4.428 8.820 -2.700 391 H ALA 78 H ALA 78 -3.809 9.452 0.160 392 HA ALA 78 HA ALA 78 -3.368 6.797 1.194 393 HB1 ALA 78 1HB ALA 78 -2.378 9.465 2.241 394 HB2 ALA 78 2HB ALA 78 -1.675 7.848 2.540 395 HB3 ALA 78 3HB ALA 78 -1.686 8.543 0.899 396 H ALA 79 H ALA 79 -4.821 9.744 2.726 397 HA ALA 79 HA ALA 79 -5.855 8.641 5.078 398 HB1 ALA 79 1HB ALA 79 -7.467 10.443 5.015 399 HB2 ALA 79 2HB ALA 79 -5.883 11.027 4.466 400 HB3 ALA 79 3HB ALA 79 -7.172 10.702 3.287 401 H LYS 80 H LYS 80 -7.622 8.710 1.885 402 HA LYS 80 HA LYS 80 -9.716 7.160 3.022 403 HB2 LYS 80 2HB LYS 80 -10.833 7.340 1.037 404 HB3 LYS 80 3HB LYS 80 -9.691 8.666 0.842 405 HG2 LYS 80 2HG LYS 80 -8.308 6.983 -0.559 406 HG3 LYS 80 3HG LYS 80 -9.701 5.926 -0.438 407 HD2 LYS 80 2HD LYS 80 -10.422 7.036 -2.325 408 HD3 LYS 80 3HD LYS 80 -10.961 8.270 -1.211 409 HE2 LYS 80 2HE LYS 80 -8.850 9.499 -1.498 410 HE3 LYS 80 3HE LYS 80 -8.215 8.200 -2.528 411 HZ1 LYS 80 3HZ LYS 80 -9.789 8.743 -4.212 412 HZ2 LYS 80 1HZ LYS 80 -10.541 9.866 -3.268 413 HZ3 LYS 80 2HZ LYS 80 -8.997 10.126 -3.750 414 H ALA 81 H ALA 81 -6.896 6.102 1.143 415 HA ALA 81 HA ALA 81 -7.706 3.397 0.944 416 HB1 ALA 81 1HB ALA 81 -4.841 4.453 1.073 417 HB2 ALA 81 2HB ALA 81 -5.342 2.887 0.419 418 HB3 ALA 81 3HB ALA 81 -5.844 4.370 -0.382 419 H ILE 82 H ILE 82 -5.883 5.149 3.505 420 HA ILE 82 HA ILE 82 -5.388 3.013 5.224 421 HB ILE 82 HB ILE 82 -6.042 5.871 5.928 422 HG12 ILE 82 2HG1 ILE 82 -3.306 4.689 6.311 423 HG13 ILE 82 3HG1 ILE 82 -3.775 5.049 4.662 424 HG21 ILE 82 1HG2 ILE 82 -4.963 3.697 7.766 425 HG22 ILE 82 2HG2 ILE 82 -5.002 5.425 8.154 426 HG23 ILE 82 3HG2 ILE 82 -6.511 4.558 7.930 427 HD11 ILE 82 3HD1 ILE 82 -3.751 6.999 7.012 428 HD12 ILE 82 1HD1 ILE 82 -2.676 7.003 5.577 429 HD13 ILE 82 2HD1 ILE 82 -4.408 7.344 5.409 430 H GLU 83 H GLU 83 -8.215 5.251 5.356 431 HA GLU 83 HA GLU 83 -9.599 3.742 7.343 432 HB2 GLU 83 2HB GLU 83 -10.607 5.682 5.246 433 HB3 GLU 83 3HB GLU 83 -11.593 5.054 6.575 434 HG2 GLU 83 2HG GLU 83 -9.011 6.665 6.906 435 HG3 GLU 83 3HG GLU 83 -10.647 7.293 7.038 436 H GLU 84 H GLU 84 -9.511 3.312 3.859 437 HA GLU 84 HA GLU 84 -11.864 1.611 3.624 438 HB2 GLU 84 2HB GLU 84 -9.494 2.213 1.818 439 HB3 GLU 84 3HB GLU 84 -10.770 1.109 1.350 440 HG2 GLU 84 2HG GLU 84 -11.506 3.911 2.161 441 HG3 GLU 84 3HG GLU 84 -10.790 3.641 0.569 442 H VAL 85 H VAL 85 -8.326 0.977 3.777 443 HA VAL 85 HA VAL 85 -8.863 -1.937 4.093 444 HB VAL 85 HB VAL 85 -8.975 -1.301 1.752 445 HG11 VAL 85 1HG1 VAL 85 -6.091 -0.517 2.042 446 HG12 VAL 85 2HG1 VAL 85 -6.844 -0.913 0.496 447 HG13 VAL 85 3HG1 VAL 85 -7.455 0.442 1.457 448 HG21 VAL 85 3HG2 VAL 85 -8.474 -3.586 2.393 449 HG22 VAL 85 1HG2 VAL 85 -7.728 -3.133 0.854 450 HG23 VAL 85 2HG2 VAL 85 -6.744 -3.222 2.321 451 H HIS 86 H HIS 86 -7.023 0.561 5.371 452 HA HIS 86 HA HIS 86 -4.591 -0.966 5.940 453 HD1 HIS 86 HD1 HIS 86 -2.316 1.801 6.770 454 HD2 HIS 86 HD2 HIS 86 -4.532 -0.192 9.725 455 HE1 HIS 86 HE1 HIS 86 -0.697 1.362 8.705 456 HB2 HIS 86 2HB HIS 86 -4.758 1.482 6.180 457 HB3 HIS 86 3HB HIS 86 -5.817 1.282 7.576 458 H GLY 87 H GLY 87 -4.482 -2.720 7.189 459 HA2 GLY 87 2HA GLY 87 -4.365 -3.729 9.332 460 HA3 GLY 87 3HA GLY 87 -5.659 -2.699 9.921 461 H LYS 88 H LYS 88 -6.844 -3.487 7.123 462 HA LYS 88 HA LYS 88 -8.532 -5.750 7.828 463 HB2 LYS 88 2HB LYS 88 -8.128 -3.803 5.560 464 HB3 LYS 88 3HB LYS 88 -8.897 -5.287 5.205 465 HG2 LYS 88 2HG LYS 88 -10.660 -3.746 5.700 466 HG3 LYS 88 3HG LYS 88 -10.559 -4.818 7.083 467 HD2 LYS 88 2HD LYS 88 -10.814 -2.781 8.136 468 HD3 LYS 88 3HD LYS 88 -9.053 -2.872 8.121 469 HE2 LYS 88 2HE LYS 88 -9.092 -1.541 5.976 470 HE3 LYS 88 3HE LYS 88 -10.839 -1.368 6.158 471 HZ1 LYS 88 3HZ LYS 88 -10.329 -0.276 8.344 472 HZ2 LYS 88 1HZ LYS 88 -8.729 -0.318 7.966 473 HZ3 LYS 88 2HZ LYS 88 -9.786 0.565 7.053 474 H SER 89 H SER 89 -8.352 -7.710 7.108 475 HA SER 89 HA SER 89 -5.641 -8.658 6.539 476 HG SER 89 HG SER 89 -8.788 -10.427 6.474 477 HB2 SER 89 2HB SER 89 -6.578 -10.882 7.093 478 HB3 SER 89 3HB SER 89 -6.785 -9.660 8.355 479 H PHE 90 H PHE 90 -4.982 -8.625 4.431 480 HA PHE 90 HA PHE 90 -6.801 -9.812 2.338 481 HD1 PHE 90 HD1 PHE 90 -3.924 -9.860 0.004 482 HD2 PHE 90 HD2 PHE 90 -7.414 -7.378 0.464 483 HE1 PHE 90 HE1 PHE 90 -4.583 -10.359 -2.348 484 HE2 PHE 90 HE2 PHE 90 -8.062 -7.854 -1.892 485 HZ PHE 90 HZ PHE 90 -6.680 -9.391 -3.258 486 HB2 PHE 90 2HB PHE 90 -5.786 -7.483 2.169 487 HB3 PHE 90 3HB PHE 90 -4.238 -8.291 2.020 488 H ALA 91 H ALA 91 -6.042 -11.568 1.126 489 HA ALA 91 HA ALA 91 -5.133 -13.591 0.752 490 HB1 ALA 91 1HB ALA 91 -3.125 -12.217 0.182 491 HB2 ALA 91 2HB ALA 91 -2.513 -12.450 1.839 492 HB3 ALA 91 3HB ALA 91 -2.723 -13.844 0.768 493 H ASN 92 H ASN 92 -3.530 -12.658 3.742 494 HA ASN 92 HA ASN 92 -4.816 -14.586 5.462 495 HB2 ASN 92 2HB ASN 92 -2.885 -15.987 5.962 496 HB3 ASN 92 3HB ASN 92 -3.286 -16.113 4.262 497 HD21 ASN 92 1HD2 ASN 92 -1.911 -14.327 2.881 498 HD22 ASN 92 2HD2 ASN 92 -0.216 -14.227 3.333 499 H GLN 93 H GLN 93 -3.319 -11.590 5.106 500 HA GLN 93 HA GLN 93 -2.839 -11.188 7.971 501 HB2 GLN 93 2HB GLN 93 -0.465 -10.202 6.658 502 HB3 GLN 93 3HB GLN 93 -0.622 -11.267 8.044 503 HG2 GLN 93 2HG GLN 93 -0.761 -13.215 6.507 504 HG3 GLN 93 3HG GLN 93 -0.558 -12.176 5.135 505 HE21 GLN 93 2HE2 GLN 93 1.095 -14.359 5.696 506 HE22 GLN 93 1HE2 GLN 93 2.719 -13.711 5.944 507 HA PRO 94 HA PRO 94 -4.063 -7.229 6.709 508 HB2 PRO 94 2HB PRO 94 -3.222 -5.548 8.734 509 HB3 PRO 94 3HB PRO 94 -4.422 -6.852 9.006 510 HG2 PRO 94 2HG PRO 94 -1.418 -6.976 9.459 511 HG3 PRO 94 3HG PRO 94 -2.731 -7.372 10.618 512 HD2 PRO 94 2HD PRO 94 -1.466 -9.261 9.106 513 HD3 PRO 94 3HD PRO 94 -3.227 -9.371 9.436 514 H LEU 95 H LEU 95 -3.707 -5.179 6.151 515 HA LEU 95 HA LEU 95 -1.265 -4.647 4.598 516 HG LEU 95 HG LEU 95 -2.556 -4.496 2.232 517 HB2 LEU 95 2HB LEU 95 -4.221 -4.026 4.657 518 HB3 LEU 95 3HB LEU 95 -3.202 -2.932 3.801 519 HD11 LEU 95 1HD1 LEU 95 -2.735 -6.692 2.081 520 HD12 LEU 95 2HD1 LEU 95 -1.892 -6.343 3.565 521 HD13 LEU 95 3HD1 LEU 95 -3.601 -6.837 3.675 522 HD21 LEU 95 3HD2 LEU 95 -4.782 -3.898 1.743 523 HD22 LEU 95 1HD2 LEU 95 -4.536 -5.609 1.340 524 HD23 LEU 95 2HD2 LEU 95 -5.402 -5.183 2.833 525 H GLU 96 H GLU 96 0.047 -2.996 4.847 526 HA GLU 96 HA GLU 96 -0.501 -1.022 7.028 527 HB2 GLU 96 2HB GLU 96 1.538 -2.598 7.138 528 HB3 GLU 96 3HB GLU 96 2.272 -1.538 5.939 529 HG2 GLU 96 2HG GLU 96 1.615 0.409 7.503 530 HG3 GLU 96 3HG GLU 96 1.375 -0.829 8.735 531 H VAL 97 H VAL 97 -1.897 -0.571 5.065 532 HA VAL 97 HA VAL 97 -0.964 0.957 2.811 533 HB VAL 97 HB VAL 97 -3.595 0.775 4.331 534 HG11 VAL 97 1HG1 VAL 97 -3.211 2.053 1.597 535 HG12 VAL 97 2HG1 VAL 97 -4.758 1.612 2.311 536 HG13 VAL 97 3HG1 VAL 97 -3.765 2.859 3.092 537 HG21 VAL 97 3HG2 VAL 97 -3.197 -0.331 1.522 538 HG22 VAL 97 1HG2 VAL 97 -2.495 -1.188 2.883 539 HG23 VAL 97 2HG2 VAL 97 -4.224 -0.932 2.859 540 H VAL 98 H VAL 98 0.298 2.778 3.378 541 HA VAL 98 HA VAL 98 -1.002 4.710 5.245 542 HB VAL 98 HB VAL 98 0.133 2.558 6.310 543 HG11 VAL 98 1HG1 VAL 98 2.408 2.779 5.487 544 HG12 VAL 98 2HG1 VAL 98 2.626 4.145 6.652 545 HG13 VAL 98 3HG1 VAL 98 2.182 2.566 7.214 546 HG21 VAL 98 3HG2 VAL 98 0.057 5.258 7.519 547 HG22 VAL 98 1HG2 VAL 98 -1.202 3.976 7.393 548 HG23 VAL 98 2HG2 VAL 98 0.247 3.703 8.381 549 H TYR 99 H TYR 99 1.972 5.376 5.824 550 HA TYR 99 HA TYR 99 2.557 7.032 3.403 551 HD1 TYR 99 HD1 TYR 99 0.693 8.186 3.958 552 HD2 TYR 99 HD2 TYR 99 2.717 9.159 7.650 553 HE1 TYR 99 HE1 TYR 99 -1.226 9.554 4.636 554 HE2 TYR 99 HE2 TYR 99 0.771 10.554 8.323 555 HH TYR 99 HH TYR 99 -2.126 10.930 6.247 556 HB2 TYR 99 2HB TYR 99 3.524 7.324 6.250 557 HB3 TYR 99 3HB TYR 99 3.806 8.444 4.924 558 H SER 100 H SER 100 2.980 4.152 3.923 559 HA SER 100 HA SER 100 4.279 2.527 4.170 560 HG SER 100 HG SER 100 6.856 2.112 2.925 561 HB2 SER 100 2HB SER 100 4.290 2.629 1.934 562 HB3 SER 100 3HB SER 100 5.435 3.944 1.989 563 H LYS 101 H LYS 101 5.327 4.702 6.021 564 HA LYS 101 HA LYS 101 7.111 2.791 7.275 565 HB2 LYS 101 2HB LYS 101 8.667 4.068 5.805 566 HB3 LYS 101 3HB LYS 101 8.260 5.557 6.630 567 HG2 LYS 101 2HG LYS 101 9.214 3.207 8.273 568 HG3 LYS 101 3HG LYS 101 10.395 4.024 7.255 569 HD2 LYS 101 2HD LYS 101 10.288 6.036 8.406 570 HD3 LYS 101 3HD LYS 101 8.644 5.747 8.966 571 HE2 LYS 101 2HE LYS 101 9.583 3.844 10.397 572 HE3 LYS 101 3HE LYS 101 11.193 4.490 10.045 573 HZ1 LYS 101 3HZ LYS 101 10.033 5.365 12.129 574 HZ2 LYS 101 1HZ LYS 101 10.572 6.539 11.109 575 HZ3 LYS 101 2HZ LYS 101 8.980 6.129 11.159 576 H LEU 102 H LEU 102 7.336 3.132 9.513 577 HA LEU 102 HA LEU 102 4.941 3.892 10.753 578 HG LEU 102 HG LEU 102 5.037 1.801 12.103 579 HB2 LEU 102 2HB LEU 102 7.720 3.243 11.816 580 HB3 LEU 102 3HB LEU 102 6.419 3.689 12.897 581 HD11 LEU 102 1HD1 LEU 102 6.155 -0.068 10.878 582 HD12 LEU 102 2HD1 LEU 102 5.919 1.349 9.870 583 HD13 LEU 102 3HD1 LEU 102 7.536 0.996 10.543 584 HD21 LEU 102 3HD2 LEU 102 6.491 1.605 14.094 585 HD22 LEU 102 1HD2 LEU 102 6.337 0.059 13.245 586 HD23 LEU 102 2HD2 LEU 102 7.821 1.023 13.072 587 HA PRO 103 HA PRO 103 5.268 8.226 11.524 588 HB2 PRO 103 2HB PRO 103 3.714 8.620 13.742 589 HB3 PRO 103 3HB PRO 103 3.060 8.121 12.153 590 HG2 PRO 103 2HG PRO 103 3.785 6.337 14.502 591 HG3 PRO 103 3HG PRO 103 2.249 6.369 13.574 592 HD2 PRO 103 2HD PRO 103 4.203 4.579 13.006 593 HD3 PRO 103 3HD PRO 103 3.258 5.344 11.694 594 H ALA 104 H ALA 104 6.866 6.086 13.588 595 HA ALA 104 HA ALA 104 8.600 8.249 14.630 596 HB1 ALA 104 1HB ALA 104 7.563 5.903 16.281 597 HB2 ALA 104 2HB ALA 104 8.807 7.063 16.791 598 HB3 ALA 104 3HB ALA 104 7.144 7.620 16.514 Start of MODEL 20 1 H GLU 28 H GLU 28 5.979 14.539 12.351 2 HA GLU 28 HA GLU 28 7.334 12.649 11.708 3 HB2 GLU 28 2HB GLU 28 6.535 12.917 14.049 4 HB3 GLU 28 3HB GLU 28 5.127 11.928 13.679 5 HG2 GLU 28 2HG GLU 28 6.821 10.651 14.883 6 HG3 GLU 28 3HG GLU 28 6.565 9.971 13.287 7 H LEU 29 H LEU 29 7.480 10.490 11.005 8 HA LEU 29 HA LEU 29 7.232 8.924 9.440 9 HG LEU 29 HG LEU 29 4.620 6.491 10.314 10 HB2 LEU 29 2HB LEU 29 4.802 8.822 10.963 11 HB3 LEU 29 3HB LEU 29 4.359 8.605 9.311 12 HD11 LEU 29 1HD1 LEU 29 6.032 5.280 8.934 13 HD12 LEU 29 2HD1 LEU 29 5.772 6.730 7.998 14 HD13 LEU 29 3HD1 LEU 29 7.285 6.550 8.878 15 HD21 LEU 29 3HD2 LEU 29 6.661 5.701 11.404 16 HD22 LEU 29 1HD2 LEU 29 7.427 7.285 11.138 17 HD23 LEU 29 2HD2 LEU 29 6.016 7.144 12.214 18 H SER 30 H SER 30 6.142 8.274 7.343 19 HA SER 30 HA SER 30 6.601 10.195 5.381 20 HG SER 30 HG SER 30 6.729 6.609 5.434 21 HB2 SER 30 2HB SER 30 4.960 7.655 5.215 22 HB3 SER 30 3HB SER 30 5.771 8.460 3.849 23 H ASN 31 H ASN 31 3.554 9.614 7.000 24 HA ASN 31 HA ASN 31 1.419 10.232 6.738 25 HB2 ASN 31 2HB ASN 31 1.959 12.364 4.737 26 HB3 ASN 31 3HB ASN 31 0.781 12.301 6.017 27 HD21 ASN 31 2HD2 ASN 31 4.084 13.074 5.200 28 HD22 ASN 31 1HD2 ASN 31 4.392 13.989 6.672 29 H THR 32 H THR 32 3.033 9.216 3.831 30 HA THR 32 HA THR 32 0.421 8.934 2.426 31 HB THR 32 HB THR 32 1.404 9.727 0.434 32 HG1 THR 32 1HG THR 32 3.482 10.069 0.173 33 HG21 THR 32 1HG2 THR 32 0.786 11.488 2.177 34 HG22 THR 32 2HG2 THR 32 2.532 11.647 2.479 35 HG23 THR 32 3HG2 THR 32 1.871 11.983 0.866 36 H ARG 33 H ARG 33 1.821 6.473 3.649 37 HA ARG 33 HA ARG 33 2.512 5.126 1.067 38 HE ARG 33 HE ARG 33 7.153 6.624 0.092 39 HB2 ARG 33 2HB ARG 33 4.400 5.234 3.419 40 HB3 ARG 33 3HB ARG 33 4.396 4.001 2.157 41 HG2 ARG 33 2HG ARG 33 5.169 5.088 0.574 42 HG3 ARG 33 3HG ARG 33 4.717 6.720 1.212 43 HD2 ARG 33 2HD ARG 33 6.569 6.709 2.706 44 HD3 ARG 33 3HD ARG 33 6.810 4.966 2.527 45 HH11 ARG 33 1HH1 ARG 33 8.965 4.874 2.581 46 HH12 ARG 33 2HH1 ARG 33 10.214 4.499 1.397 47 HH21 ARG 33 1HH2 ARG 33 8.787 6.325 -1.100 48 HH22 ARG 33 2HH2 ARG 33 10.284 5.567 -0.504 49 H LEU 34 H LEU 34 2.131 3.121 0.834 50 HA LEU 34 HA LEU 34 0.632 1.825 3.050 51 HG LEU 34 HG LEU 34 -1.811 2.789 0.386 52 HB2 LEU 34 2HB LEU 34 0.277 1.263 0.171 53 HB3 LEU 34 3HB LEU 34 -0.853 0.983 1.455 54 HD11 LEU 34 1HD1 LEU 34 -1.257 3.366 2.880 55 HD12 LEU 34 2HD1 LEU 34 -0.292 4.658 2.174 56 HD13 LEU 34 3HD1 LEU 34 -1.999 4.545 1.813 57 HD21 LEU 34 3HD2 LEU 34 0.117 4.834 -0.035 58 HD22 LEU 34 1HD2 LEU 34 0.825 3.313 -0.567 59 HD23 LEU 34 2HD2 LEU 34 -0.716 3.813 -1.226 60 H PHE 35 H PHE 35 1.402 0.112 4.004 61 HA PHE 35 HA PHE 35 3.771 -1.296 2.883 62 HD1 PHE 35 HD1 PHE 35 4.608 -3.387 3.798 63 HD2 PHE 35 HD2 PHE 35 4.955 -0.913 7.330 64 HE1 PHE 35 HE1 PHE 35 6.398 -4.837 4.647 65 HE2 PHE 35 HE2 PHE 35 6.741 -2.406 8.183 66 HZ PHE 35 HZ PHE 35 7.473 -4.369 6.839 67 HB2 PHE 35 2HB PHE 35 4.086 -0.066 5.012 68 HB3 PHE 35 3HB PHE 35 2.838 -0.838 5.717 69 H VAL 36 H VAL 36 2.993 -2.835 1.794 70 HA VAL 36 HA VAL 36 0.528 -4.340 2.593 71 HB VAL 36 HB VAL 36 1.543 -2.859 0.175 72 HG11 VAL 36 1HG1 VAL 36 0.730 -4.643 -0.968 73 HG12 VAL 36 2HG1 VAL 36 -0.818 -4.611 -0.009 74 HG13 VAL 36 3HG1 VAL 36 -0.339 -3.277 -1.097 75 HG21 VAL 36 3HG2 VAL 36 0.110 -1.664 1.941 76 HG22 VAL 36 1HG2 VAL 36 -0.744 -1.748 0.425 77 HG23 VAL 36 2HG2 VAL 36 -1.144 -2.900 1.703 78 H ARG 37 H ARG 37 1.305 -6.167 3.282 79 HA ARG 37 HA ARG 37 3.378 -7.659 1.716 80 HE ARG 37 HE ARG 37 3.221 -7.690 8.055 81 HB2 ARG 37 2HB ARG 37 4.520 -8.085 3.851 82 HB3 ARG 37 3HB ARG 37 4.428 -6.367 3.452 83 HG2 ARG 37 2HG ARG 37 2.807 -5.924 5.119 84 HG3 ARG 37 3HG ARG 37 2.382 -7.628 5.295 85 HD2 ARG 37 2HD ARG 37 4.627 -8.096 6.248 86 HD3 ARG 37 3HD ARG 37 5.035 -6.384 6.129 87 HH11 ARG 37 1HH1 ARG 37 4.292 -4.521 6.857 88 HH12 ARG 37 2HH1 ARG 37 3.461 -3.736 8.203 89 HH21 ARG 37 2HH2 ARG 37 2.264 -6.445 9.711 90 HH22 ARG 37 1HH2 ARG 37 2.481 -4.692 9.631 91 HA PRO 38 HA PRO 38 0.518 -10.959 4.056 92 HB2 PRO 38 2HB PRO 38 -1.422 -10.374 1.775 93 HB3 PRO 38 3HB PRO 38 -1.760 -11.179 3.321 94 HG2 PRO 38 2HG PRO 38 -2.370 -8.632 3.048 95 HG3 PRO 38 3HG PRO 38 -1.465 -9.109 4.519 96 HD2 PRO 38 2HD PRO 38 -0.364 -7.830 2.009 97 HD3 PRO 38 3HD PRO 38 -0.006 -7.478 3.739 98 H PHE 39 H PHE 39 0.912 -10.130 0.673 99 HA PHE 39 HA PHE 39 0.526 -12.710 -0.405 100 HD1 PHE 39 HD1 PHE 39 2.051 -8.652 -0.645 101 HD2 PHE 39 HD2 PHE 39 -1.617 -10.477 -2.074 102 HE1 PHE 39 HE1 PHE 39 0.853 -6.584 -0.294 103 HE2 PHE 39 HE2 PHE 39 -2.752 -8.283 -1.880 104 HZ PHE 39 HZ PHE 39 -1.564 -6.349 -0.969 105 HB2 PHE 39 2HB PHE 39 2.048 -10.749 -2.026 106 HB3 PHE 39 3HB PHE 39 0.564 -11.604 -2.406 107 HA PRO 40 HA PRO 40 4.836 -13.932 -0.870 108 HB2 PRO 40 2HB PRO 40 4.619 -15.886 -2.839 109 HB3 PRO 40 3HB PRO 40 3.947 -16.119 -1.212 110 HG2 PRO 40 2HG PRO 40 2.497 -15.124 -3.688 111 HG3 PRO 40 3HG PRO 40 2.006 -16.453 -2.587 112 HD2 PRO 40 2HD PRO 40 1.047 -13.901 -2.361 113 HD3 PRO 40 3HD PRO 40 1.324 -14.936 -0.930 114 H LEU 41 H LEU 41 6.158 -14.560 -3.176 115 HA LEU 41 HA LEU 41 7.042 -12.265 -4.405 116 HG LEU 41 HG LEU 41 9.142 -15.379 -5.229 117 HB2 LEU 41 2HB LEU 41 6.756 -14.973 -5.787 118 HB3 LEU 41 3HB LEU 41 7.879 -13.698 -6.186 119 HD11 LEU 41 1HD1 LEU 41 10.157 -14.373 -3.271 120 HD12 LEU 41 2HD1 LEU 41 9.699 -13.104 -4.421 121 HD13 LEU 41 3HD1 LEU 41 8.697 -13.409 -2.978 122 HD21 LEU 41 3HD2 LEU 41 7.252 -16.587 -4.048 123 HD22 LEU 41 1HD2 LEU 41 8.819 -16.551 -3.222 124 HD23 LEU 41 2HD2 LEU 41 7.531 -15.490 -2.663 125 H ASP 42 H ASP 42 4.144 -14.021 -5.201 126 HA ASP 42 HA ASP 42 3.721 -13.301 -7.876 127 HB2 ASP 42 2HB ASP 42 1.750 -14.049 -5.691 128 HB3 ASP 42 3HB ASP 42 1.374 -14.001 -7.405 129 H VAL 43 H VAL 43 3.129 -11.196 -5.069 130 HA VAL 43 HA VAL 43 1.188 -9.511 -6.445 131 HB VAL 43 HB VAL 43 1.343 -9.545 -4.019 132 HG11 VAL 43 1HG1 VAL 43 3.019 -8.314 -2.775 133 HG12 VAL 43 2HG1 VAL 43 3.831 -9.560 -3.726 134 HG13 VAL 43 3HG1 VAL 43 3.873 -7.861 -4.251 135 HG21 VAL 43 3HG2 VAL 43 0.253 -7.660 -5.161 136 HG22 VAL 43 1HG2 VAL 43 1.003 -7.157 -3.651 137 HG23 VAL 43 2HG2 VAL 43 1.786 -6.765 -5.191 138 H GLN 44 H GLN 44 1.445 -7.788 -7.733 139 HA GLN 44 HA GLN 44 4.091 -6.572 -8.189 140 HB2 GLN 44 2HB GLN 44 2.474 -7.123 -10.655 141 HB3 GLN 44 3HB GLN 44 4.182 -6.797 -10.492 142 HG2 GLN 44 2HG GLN 44 2.769 -9.428 -9.954 143 HG3 GLN 44 3HG GLN 44 3.732 -9.025 -11.357 144 HE21 GLN 44 2HE2 GLN 44 3.876 -10.986 -8.958 145 HE22 GLN 44 1HE2 GLN 44 5.530 -10.856 -8.398 146 H GLU 45 H GLU 45 3.648 -4.657 -9.880 147 HA GLU 45 HA GLU 45 1.823 -2.842 -8.708 148 HB2 GLU 45 2HB GLU 45 2.442 -1.331 -10.347 149 HB3 GLU 45 3HB GLU 45 3.869 -2.335 -10.125 150 HG2 GLU 45 2HG GLU 45 1.816 -2.479 -12.361 151 HG3 GLU 45 3HG GLU 45 3.452 -1.836 -12.482 152 H SER 46 H SER 46 1.110 -5.295 -11.104 153 HA SER 46 HA SER 46 -1.395 -4.165 -12.022 154 HG SER 46 HG SER 46 0.797 -5.402 -13.423 155 HB2 SER 46 2HB SER 46 -0.241 -6.971 -12.089 156 HB3 SER 46 3HB SER 46 -1.780 -6.507 -12.839 157 H GLU 47 H GLU 47 -0.481 -6.087 -9.161 158 HA GLU 47 HA GLU 47 -3.216 -7.025 -8.570 159 HB2 GLU 47 2HB GLU 47 -0.381 -7.365 -7.478 160 HB3 GLU 47 3HB GLU 47 -1.771 -7.825 -6.559 161 HG2 GLU 47 2HG GLU 47 -0.867 -9.750 -7.685 162 HG3 GLU 47 3HG GLU 47 -2.486 -9.401 -8.297 163 H LEU 48 H LEU 48 -0.635 -4.767 -7.569 164 HA LEU 48 HA LEU 48 -2.156 -3.447 -5.505 165 HG LEU 48 HG LEU 48 0.765 -4.523 -5.868 166 HB2 LEU 48 2HB LEU 48 0.100 -2.436 -7.267 167 HB3 LEU 48 3HB LEU 48 -0.462 -1.730 -5.833 168 HD11 LEU 48 1HD1 LEU 48 2.309 -2.764 -6.657 169 HD12 LEU 48 2HD1 LEU 48 2.047 -1.873 -5.153 170 HD13 LEU 48 3HD1 LEU 48 2.812 -3.465 -5.106 171 HD21 LEU 48 3HD2 LEU 48 0.463 -2.490 -3.656 172 HD22 LEU 48 1HD2 LEU 48 -0.478 -4.025 -3.806 173 HD23 LEU 48 2HD2 LEU 48 1.284 -4.088 -3.565 174 H ASN 49 H ASN 49 -1.889 -3.056 -9.101 175 HA ASN 49 HA ASN 49 -3.710 -0.804 -9.205 176 HB2 ASN 49 2HB ASN 49 -2.702 -2.744 -11.219 177 HB3 ASN 49 3HB ASN 49 -4.281 -2.071 -11.559 178 HD21 ASN 49 2HD2 ASN 49 -0.901 -1.194 -10.921 179 HD22 ASN 49 1HD2 ASN 49 -1.022 0.384 -11.711 180 H GLU 50 H GLU 50 -4.512 -4.349 -9.180 181 HA GLU 50 HA GLU 50 -7.272 -4.062 -9.273 182 HB2 GLU 50 2HB GLU 50 -5.473 -6.114 -9.101 183 HB3 GLU 50 3HB GLU 50 -6.064 -6.104 -7.429 184 HG2 GLU 50 2HG GLU 50 -8.392 -6.009 -8.426 185 HG3 GLU 50 3HG GLU 50 -7.662 -6.345 -9.994 186 H ILE 51 H ILE 51 -5.134 -3.803 -6.436 187 HA ILE 51 HA ILE 51 -7.339 -3.471 -4.521 188 HB ILE 51 HB ILE 51 -4.346 -3.360 -4.438 189 HG12 ILE 51 2HG1 ILE 51 -6.227 -5.390 -3.161 190 HG13 ILE 51 3HG1 ILE 51 -5.539 -5.581 -4.770 191 HG21 ILE 51 1HG2 ILE 51 -4.472 -3.349 -1.910 192 HG22 ILE 51 2HG2 ILE 51 -5.072 -1.854 -2.604 193 HG23 ILE 51 3HG2 ILE 51 -6.225 -3.079 -2.048 194 HD11 ILE 51 3HD1 ILE 51 -3.230 -5.461 -3.772 195 HD12 ILE 51 1HD1 ILE 51 -3.991 -5.531 -2.159 196 HD13 ILE 51 2HD1 ILE 51 -4.195 -6.869 -3.293 197 H PHE 52 H PHE 52 -4.903 -1.282 -5.899 198 HA PHE 52 HA PHE 52 -5.637 0.981 -4.194 199 HD1 PHE 52 HD2 PHE 52 -3.135 -1.606 -4.526 200 HD2 PHE 52 HD1 PHE 52 -2.956 2.420 -3.025 201 HE1 PHE 52 HE2 PHE 52 -1.680 -2.381 -2.722 202 HE2 PHE 52 HE1 PHE 52 -1.348 1.658 -1.335 203 HZ PHE 52 HZ PHE 52 -0.582 -0.699 -1.278 204 HB2 PHE 52 2HB PHE 52 -3.367 0.530 -6.047 205 HB3 PHE 52 3HB PHE 52 -3.685 2.043 -5.234 206 H GLY 53 H GLY 53 -6.008 -0.056 -7.533 207 HA2 GLY 53 2HA GLY 53 -6.426 2.253 -9.040 208 HA3 GLY 53 3HA GLY 53 -7.291 0.729 -9.235 209 HA PRO 54 HA PRO 54 -11.008 2.518 -7.375 210 HB2 PRO 54 2HB PRO 54 -10.549 1.749 -4.506 211 HB3 PRO 54 3HB PRO 54 -11.985 1.463 -5.533 212 HG2 PRO 54 2HG PRO 54 -10.284 -0.566 -4.965 213 HG3 PRO 54 3HG PRO 54 -10.898 -0.372 -6.645 214 HD2 PRO 54 2HD PRO 54 -8.320 0.685 -5.467 215 HD3 PRO 54 3HD PRO 54 -8.476 -0.361 -6.897 216 H PHE 55 H PHE 55 -8.056 3.294 -5.543 217 HA PHE 55 HA PHE 55 -9.223 5.595 -4.179 218 HD1 PHE 55 HD1 PHE 55 -9.251 3.463 -3.017 219 HD2 PHE 55 HD2 PHE 55 -4.959 3.769 -2.997 220 HE1 PHE 55 HE1 PHE 55 -9.117 1.229 -1.966 221 HE2 PHE 55 HE2 PHE 55 -4.851 1.622 -1.649 222 HZ PHE 55 HZ PHE 55 -6.941 0.333 -1.253 223 HB2 PHE 55 2HB PHE 55 -6.269 5.015 -4.460 224 HB3 PHE 55 3HB PHE 55 -7.079 5.896 -3.201 225 H GLY 56 H GLY 56 -6.775 5.021 -6.665 226 HA2 GLY 56 2HA GLY 56 -7.090 6.210 -8.737 227 HA3 GLY 56 3HA GLY 56 -7.273 7.708 -7.826 228 HA PRO 57 HA PRO 57 -3.288 9.033 -8.275 229 HB2 PRO 57 2HB PRO 57 -2.657 8.754 -5.325 230 HB3 PRO 57 3HB PRO 57 -2.277 10.116 -6.429 231 HG2 PRO 57 2HG PRO 57 -4.470 10.277 -4.896 232 HG3 PRO 57 3HG PRO 57 -4.610 10.679 -6.632 233 HD2 PRO 57 2HD PRO 57 -5.368 8.090 -5.245 234 HD3 PRO 57 3HD PRO 57 -6.272 9.037 -6.461 235 H MET 58 H MET 58 -2.745 6.382 -6.019 236 HA MET 58 HA MET 58 -0.671 5.199 -5.623 237 HB2 MET 58 2HB MET 58 -0.575 3.345 -7.164 238 HB3 MET 58 3HB MET 58 -2.149 3.591 -6.389 239 HG2 MET 58 2HG MET 58 -3.218 4.098 -8.325 240 HG3 MET 58 3HG MET 58 -1.815 4.883 -9.064 241 HE1 MET 58 3HE MET 58 -1.960 0.304 -8.634 242 HE2 MET 58 1HE MET 58 -1.589 1.462 -7.351 243 HE3 MET 58 2HE MET 58 -3.241 1.382 -7.991 244 H LYS 59 H LYS 59 0.523 7.072 -5.880 245 HA LYS 59 HA LYS 59 1.741 7.948 -8.271 246 HB2 LYS 59 2HB LYS 59 0.905 9.112 -6.146 247 HB3 LYS 59 3HB LYS 59 2.373 8.529 -5.360 248 HG2 LYS 59 2HG LYS 59 2.421 10.294 -7.802 249 HG3 LYS 59 3HG LYS 59 2.180 10.888 -6.166 250 HD2 LYS 59 2HD LYS 59 4.672 9.629 -7.291 251 HD3 LYS 59 3HD LYS 59 4.328 11.206 -6.569 252 HE2 LYS 59 2HE LYS 59 4.149 10.329 -4.365 253 HE3 LYS 59 3HE LYS 59 4.401 8.671 -4.959 254 HZ1 LYS 59 3HZ LYS 59 6.445 9.649 -4.088 255 HZ2 LYS 59 1HZ LYS 59 6.642 9.296 -5.663 256 HZ3 LYS 59 2HZ LYS 59 6.404 10.854 -5.195 257 H GLU 60 H GLU 60 2.862 5.854 -5.621 258 HA GLU 60 HA GLU 60 4.930 4.877 -7.380 259 HB2 GLU 60 2HB GLU 60 5.748 6.838 -5.415 260 HB3 GLU 60 3HB GLU 60 6.373 5.274 -4.889 261 HG2 GLU 60 2HG GLU 60 7.566 4.955 -6.951 262 HG3 GLU 60 3HG GLU 60 6.726 6.290 -7.737 263 H VAL 61 H VAL 61 6.137 3.111 -6.649 264 HA VAL 61 HA VAL 61 4.511 1.223 -5.046 265 HB VAL 61 HB VAL 61 4.979 0.794 -8.063 266 HG11 VAL 61 1HG1 VAL 61 4.256 -1.065 -6.456 267 HG12 VAL 61 2HG1 VAL 61 2.690 -0.227 -6.402 268 HG13 VAL 61 3HG1 VAL 61 3.313 -0.850 -7.952 269 HG21 VAL 61 3HG2 VAL 61 2.442 2.080 -7.031 270 HG22 VAL 61 1HG2 VAL 61 3.613 2.778 -8.176 271 HG23 VAL 61 2HG2 VAL 61 2.674 1.368 -8.633 272 H LYS 62 H LYS 62 6.579 1.309 -3.901 273 HA LYS 62 HA LYS 62 8.914 0.003 -5.162 274 HB2 LYS 62 2HB LYS 62 8.310 0.183 -2.204 275 HB3 LYS 62 3HB LYS 62 9.867 -0.015 -2.988 276 HG2 LYS 62 2HG LYS 62 9.600 2.359 -3.899 277 HG3 LYS 62 3HG LYS 62 8.126 2.491 -2.930 278 HD2 LYS 62 2HD LYS 62 9.703 3.453 -1.513 279 HD3 LYS 62 3HD LYS 62 9.569 1.816 -0.900 280 HE2 LYS 62 2HE LYS 62 11.872 2.145 -0.933 281 HE3 LYS 62 3HE LYS 62 11.597 1.266 -2.446 282 HZ1 LYS 62 3HZ LYS 62 11.571 3.522 -3.548 283 HZ2 LYS 62 1HZ LYS 62 11.997 4.193 -2.099 284 HZ3 LYS 62 2HZ LYS 62 13.010 3.163 -2.860 285 H ILE 63 H ILE 63 8.951 -2.198 -5.540 286 HA ILE 63 HA ILE 63 7.359 -3.965 -3.729 287 HB ILE 63 HB ILE 63 7.569 -4.519 -6.703 288 HG12 ILE 63 2HG1 ILE 63 5.340 -3.155 -5.130 289 HG13 ILE 63 3HG1 ILE 63 6.260 -2.517 -6.504 290 HG21 ILE 63 1HG2 ILE 63 5.847 -6.217 -6.195 291 HG22 ILE 63 2HG2 ILE 63 7.246 -6.486 -5.174 292 HG23 ILE 63 3HG2 ILE 63 5.805 -5.699 -4.500 293 HD11 ILE 63 3HD1 ILE 63 5.250 -4.442 -7.878 294 HD12 ILE 63 1HD1 ILE 63 4.071 -4.580 -6.532 295 HD13 ILE 63 2HD1 ILE 63 4.227 -3.072 -7.438 296 H LEU 64 H LEU 64 8.419 -5.475 -2.831 297 HA LEU 64 HA LEU 64 11.168 -6.285 -3.687 298 HG LEU 64 HG LEU 64 12.285 -4.114 -2.331 299 HB2 LEU 64 2HB LEU 64 10.101 -5.623 -0.911 300 HB3 LEU 64 3HB LEU 64 11.693 -6.252 -1.308 301 HD11 LEU 64 1HD1 LEU 64 9.446 -3.372 -1.896 302 HD12 LEU 64 2HD1 LEU 64 10.673 -2.130 -1.558 303 HD13 LEU 64 3HD1 LEU 64 10.591 -2.876 -3.149 304 HD21 LEU 64 3HD2 LEU 64 12.372 -2.838 -0.225 305 HD22 LEU 64 1HD2 LEU 64 11.211 -3.992 0.472 306 HD23 LEU 64 2HD2 LEU 64 12.807 -4.545 -0.041 307 H ASN 65 H ASN 65 10.468 -8.320 -4.413 308 HA ASN 65 HA ASN 65 9.728 -10.545 -4.296 309 HB2 ASN 65 2HB ASN 65 11.425 -10.354 -1.807 310 HB3 ASN 65 3HB ASN 65 11.319 -11.717 -2.911 311 HD21 ASN 65 1HD2 ASN 65 13.335 -9.257 -2.019 312 HD22 ASN 65 2HD2 ASN 65 14.230 -9.094 -3.522 313 H GLY 66 H GLY 66 7.537 -9.195 -3.034 314 HA2 GLY 66 2HA GLY 66 5.798 -10.744 -1.964 315 HA3 GLY 66 3HA GLY 66 6.895 -10.893 -0.636 316 H PHE 67 H PHE 67 7.770 -8.090 -0.705 317 HA PHE 67 HA PHE 67 5.453 -6.867 0.699 318 HD1 PHE 67 HD2 PHE 67 6.500 -7.208 3.533 319 HD2 PHE 67 HD1 PHE 67 9.731 -7.777 0.782 320 HE1 PHE 67 HE2 PHE 67 7.112 -9.316 4.706 321 HE2 PHE 67 HE1 PHE 67 10.276 -9.944 1.851 322 HZ PHE 67 HZ PHE 67 8.994 -10.703 3.856 323 HB2 PHE 67 2HB PHE 67 8.300 -5.838 0.599 324 HB3 PHE 67 3HB PHE 67 7.065 -5.485 1.795 325 H ALA 68 H ALA 68 4.661 -4.909 0.168 326 HA ALA 68 HA ALA 68 5.648 -3.375 -2.205 327 HB1 ALA 68 1HB ALA 68 3.690 -4.637 -2.880 328 HB2 ALA 68 2HB ALA 68 2.794 -3.997 -1.481 329 HB3 ALA 68 3HB ALA 68 3.346 -2.896 -2.759 330 H PHE 69 H PHE 69 5.809 -1.303 -1.890 331 HA PHE 69 HA PHE 69 4.622 -0.047 0.471 332 HD1 PHE 69 HD2 PHE 69 7.970 -1.696 -0.847 333 HD2 PHE 69 HD1 PHE 69 7.087 -0.146 3.066 334 HE1 PHE 69 HE2 PHE 69 9.101 -3.639 0.170 335 HE2 PHE 69 HE1 PHE 69 8.394 -2.026 4.083 336 HZ PHE 69 HZ PHE 69 9.506 -3.737 2.552 337 HB2 PHE 69 2HB PHE 69 7.400 0.798 -0.347 338 HB3 PHE 69 3HB PHE 69 6.542 1.142 1.122 339 H VAL 70 H VAL 70 3.067 0.537 -0.813 340 HA VAL 70 HA VAL 70 3.543 2.066 -3.286 341 HB VAL 70 HB VAL 70 0.841 1.649 -2.016 342 HG11 VAL 70 1HG1 VAL 70 0.080 1.360 -4.306 343 HG12 VAL 70 2HG1 VAL 70 0.955 2.924 -4.235 344 HG13 VAL 70 3HG1 VAL 70 1.729 1.440 -4.918 345 HG21 VAL 70 3HG2 VAL 70 0.711 -0.387 -3.481 346 HG22 VAL 70 1HG2 VAL 70 2.481 -0.192 -3.741 347 HG23 VAL 70 2HG2 VAL 70 1.799 -0.582 -2.104 348 H GLU 71 H GLU 71 2.586 4.237 -3.522 349 HA GLU 71 HA GLU 71 2.830 5.911 -1.052 350 HB2 GLU 71 2HB GLU 71 5.110 5.324 -2.047 351 HB3 GLU 71 3HB GLU 71 4.588 6.115 -3.525 352 HG2 GLU 71 2HG GLU 71 4.328 8.249 -2.433 353 HG3 GLU 71 3HG GLU 71 4.650 7.540 -0.855 354 H PHE 72 H PHE 72 2.051 7.913 -1.257 355 HA PHE 72 HA PHE 72 1.014 8.884 -3.893 356 HD1 PHE 72 HD1 PHE 72 -1.077 7.344 -4.336 357 HD2 PHE 72 HD2 PHE 72 -1.252 7.697 -0.056 358 HE1 PHE 72 HE1 PHE 72 -2.436 5.241 -4.198 359 HE2 PHE 72 HE2 PHE 72 -2.660 5.653 0.042 360 HZ PHE 72 HZ PHE 72 -3.218 4.425 -1.989 361 HB2 PHE 72 2HB PHE 72 -0.295 9.407 -1.234 362 HB3 PHE 72 3HB PHE 72 -0.931 9.684 -2.841 363 H GLU 73 H GLU 73 0.788 11.218 -4.041 364 HA GLU 73 HA GLU 73 3.139 12.544 -2.821 365 HB2 GLU 73 2HB GLU 73 2.752 14.322 -4.447 366 HB3 GLU 73 3HB GLU 73 2.980 12.735 -5.165 367 HG2 GLU 73 2HG GLU 73 0.493 12.546 -5.477 368 HG3 GLU 73 3HG GLU 73 0.303 14.147 -4.762 369 H GLU 74 H GLU 74 -0.155 12.258 -2.113 370 HA GLU 74 HA GLU 74 0.020 14.426 -0.098 371 HB2 GLU 74 2HB GLU 74 -2.570 14.654 -0.562 372 HB3 GLU 74 3HB GLU 74 -1.383 15.617 -1.414 373 HG2 GLU 74 3HG GLU 74 -3.229 14.767 -2.737 374 HG3 GLU 74 2HG GLU 74 -1.646 14.408 -3.457 375 H ALA 75 H ALA 75 -1.356 14.126 1.738 376 HA ALA 75 HA ALA 75 -1.500 11.334 2.549 377 HB1 ALA 75 1HB ALA 75 -2.029 12.279 4.743 378 HB2 ALA 75 2HB ALA 75 -0.648 13.125 4.032 379 HB3 ALA 75 3HB ALA 75 -2.257 13.890 4.026 380 H GLU 76 H GLU 76 -3.730 13.140 0.780 381 HA GLU 76 HA GLU 76 -6.178 12.337 2.133 382 HB2 GLU 76 2HB GLU 76 -5.880 13.226 -0.747 383 HB3 GLU 76 3HB GLU 76 -7.340 13.201 0.232 384 HG2 GLU 76 2HG GLU 76 -4.911 15.010 0.540 385 HG3 GLU 76 3HG GLU 76 -6.522 15.479 0.014 386 H SER 77 H SER 77 -4.460 11.111 -0.818 387 HA SER 77 HA SER 77 -6.201 8.842 -1.111 388 HG SER 77 HG SER 77 -3.984 6.995 -2.518 389 HB2 SER 77 2HB SER 77 -4.593 9.641 -2.841 390 HB3 SER 77 3HB SER 77 -3.287 8.940 -1.916 391 H ALA 78 H ALA 78 -3.361 9.386 0.966 392 HA ALA 78 HA ALA 78 -3.221 6.637 1.840 393 HB1 ALA 78 1HB ALA 78 -2.351 9.120 3.331 394 HB2 ALA 78 2HB ALA 78 -1.775 7.440 3.545 395 HB3 ALA 78 3HB ALA 78 -1.448 8.301 2.033 396 H ALA 79 H ALA 79 -4.936 9.491 3.278 397 HA ALA 79 HA ALA 79 -6.324 8.181 5.333 398 HB1 ALA 79 1HB ALA 79 -6.284 10.601 4.994 399 HB2 ALA 79 2HB ALA 79 -7.314 10.430 3.559 400 HB3 ALA 79 3HB ALA 79 -7.938 9.983 5.153 401 H LYS 80 H LYS 80 -7.491 8.529 1.901 402 HA LYS 80 HA LYS 80 -9.709 6.817 2.496 403 HB2 LYS 80 2HB LYS 80 -10.414 7.075 0.321 404 HB3 LYS 80 3HB LYS 80 -9.424 8.524 0.533 405 HG2 LYS 80 2HG LYS 80 -7.577 7.264 -0.690 406 HG3 LYS 80 3HG LYS 80 -8.731 5.969 -0.964 407 HD2 LYS 80 2HD LYS 80 -9.325 7.103 -2.830 408 HD3 LYS 80 3HD LYS 80 -10.202 8.193 -1.783 409 HE2 LYS 80 2HE LYS 80 -8.236 9.699 -1.704 410 HE3 LYS 80 3HE LYS 80 -7.322 8.560 -2.710 411 HZ1 LYS 80 3HZ LYS 80 -9.804 9.926 -3.599 412 HZ2 LYS 80 1HZ LYS 80 -8.295 10.380 -4.019 413 HZ3 LYS 80 2HZ LYS 80 -8.868 8.929 -4.512 414 H ALA 81 H ALA 81 -6.538 6.045 1.140 415 HA ALA 81 HA ALA 81 -7.017 3.346 0.462 416 HB1 ALA 81 1HB ALA 81 -4.448 4.563 1.510 417 HB2 ALA 81 2HB ALA 81 -4.626 3.023 0.639 418 HB3 ALA 81 3HB ALA 81 -5.007 4.530 -0.173 419 H ILE 82 H ILE 82 -5.997 4.839 3.615 420 HA ILE 82 HA ILE 82 -5.890 2.526 5.184 421 HB ILE 82 HB ILE 82 -6.722 5.327 5.956 422 HG12 ILE 82 2HG1 ILE 82 -4.125 4.128 6.858 423 HG13 ILE 82 3HG1 ILE 82 -4.220 4.618 5.175 424 HG21 ILE 82 1HG2 ILE 82 -7.611 3.835 7.692 425 HG22 ILE 82 2HG2 ILE 82 -6.021 3.053 7.851 426 HG23 ILE 82 3HG2 ILE 82 -6.245 4.744 8.309 427 HD11 ILE 82 3HD1 ILE 82 -4.992 6.844 5.895 428 HD12 ILE 82 1HD1 ILE 82 -4.813 6.388 7.587 429 HD13 ILE 82 2HD1 ILE 82 -3.378 6.466 6.528 430 H GLU 83 H GLU 83 -8.668 4.752 4.784 431 HA GLU 83 HA GLU 83 -10.548 3.166 6.212 432 HB2 GLU 83 2HB GLU 83 -10.918 5.206 4.015 433 HB3 GLU 83 3HB GLU 83 -12.241 4.552 4.987 434 HG2 GLU 83 2HG GLU 83 -9.834 5.932 6.280 435 HG3 GLU 83 3HG GLU 83 -11.216 6.807 5.645 436 H GLU 84 H GLU 84 -9.366 2.753 2.941 437 HA GLU 84 HA GLU 84 -11.592 1.041 2.032 438 HB2 GLU 84 2HB GLU 84 -8.940 1.932 0.839 439 HB3 GLU 84 3HB GLU 84 -9.967 0.753 0.047 440 HG2 GLU 84 2HG GLU 84 -11.059 3.472 0.771 441 HG3 GLU 84 3HG GLU 84 -10.087 3.250 -0.670 442 H VAL 85 H VAL 85 -8.175 0.570 3.027 443 HA VAL 85 HA VAL 85 -8.595 -2.387 3.008 444 HB VAL 85 HB VAL 85 -8.041 -1.734 0.784 445 HG11 VAL 85 1HG1 VAL 85 -5.607 -0.435 1.967 446 HG12 VAL 85 2HG1 VAL 85 -5.689 -0.912 0.259 447 HG13 VAL 85 3HG1 VAL 85 -6.836 0.264 0.928 448 HG21 VAL 85 3HG2 VAL 85 -5.634 -3.126 1.932 449 HG22 VAL 85 1HG2 VAL 85 -7.208 -3.915 1.653 450 HG23 VAL 85 2HG2 VAL 85 -6.287 -3.261 0.289 451 H HIS 86 H HIS 86 -7.061 0.188 4.747 452 HA HIS 86 HA HIS 86 -4.930 -1.389 5.910 453 HD1 HIS 86 HD1 HIS 86 -2.911 1.275 7.358 454 HD2 HIS 86 HD2 HIS 86 -5.785 -0.795 9.609 455 HE1 HIS 86 HE1 HIS 86 -1.774 0.645 9.570 456 HB2 HIS 86 2HB HIS 86 -5.143 1.056 6.196 457 HB3 HIS 86 3HB HIS 86 -6.519 0.816 7.267 458 H GLY 87 H GLY 87 -5.256 -3.334 6.856 459 HA2 GLY 87 2HA GLY 87 -5.547 -4.496 8.885 460 HA3 GLY 87 3HA GLY 87 -6.827 -3.388 9.382 461 H LYS 88 H LYS 88 -7.359 -4.057 6.211 462 HA LYS 88 HA LYS 88 -9.408 -6.160 6.578 463 HB2 LYS 88 2HB LYS 88 -8.478 -4.201 4.457 464 HB3 LYS 88 3HB LYS 88 -9.257 -5.625 3.947 465 HG2 LYS 88 2HG LYS 88 -10.932 -3.914 4.135 466 HG3 LYS 88 3HG LYS 88 -11.226 -5.046 5.446 467 HD2 LYS 88 2HD LYS 88 -11.574 -2.978 6.464 468 HD3 LYS 88 3HD LYS 88 -9.907 -3.309 6.929 469 HE2 LYS 88 2HE LYS 88 -9.168 -1.946 4.956 470 HE3 LYS 88 3HE LYS 88 -10.854 -1.535 4.629 471 HZ1 LYS 88 3HZ LYS 88 -10.919 -0.437 6.801 472 HZ2 LYS 88 1HZ LYS 88 -9.365 -0.880 7.122 473 HZ3 LYS 88 2HZ LYS 88 -9.678 0.190 5.934 474 H SER 89 H SER 89 -9.130 -8.160 5.576 475 HA SER 89 HA SER 89 -6.285 -8.981 5.418 476 HG SER 89 HG SER 89 -8.251 -10.992 7.663 477 HB2 SER 89 2HB SER 89 -8.627 -10.830 5.394 478 HB3 SER 89 3HB SER 89 -6.943 -11.205 5.744 479 H PHE 90 H PHE 90 -5.279 -9.153 3.582 480 HA PHE 90 HA PHE 90 -6.752 -10.164 1.170 481 HD1 PHE 90 HD1 PHE 90 -3.789 -10.496 -0.826 482 HD2 PHE 90 HD2 PHE 90 -6.935 -7.546 -0.608 483 HE1 PHE 90 HE1 PHE 90 -4.294 -10.852 -3.240 484 HE2 PHE 90 HE2 PHE 90 -7.414 -7.886 -3.028 485 HZ PHE 90 HZ PHE 90 -6.118 -9.559 -4.322 486 HB2 PHE 90 2HB PHE 90 -5.655 -7.948 1.184 487 HB3 PHE 90 3HB PHE 90 -4.104 -8.697 1.282 488 H ALA 91 H ALA 91 -5.979 -11.893 0.049 489 HA ALA 91 HA ALA 91 -5.354 -14.007 -0.225 490 HB1 ALA 91 1HB ALA 91 -2.966 -14.520 -0.081 491 HB2 ALA 91 2HB ALA 91 -3.251 -12.930 -0.816 492 HB3 ALA 91 3HB ALA 91 -2.687 -13.049 0.863 493 H ASN 92 H ASN 92 -3.926 -13.263 2.964 494 HA ASN 92 HA ASN 92 -5.557 -15.279 4.309 495 HB2 ASN 92 2HB ASN 92 -3.655 -16.606 5.140 496 HB3 ASN 92 3HB ASN 92 -3.736 -16.664 3.386 497 HD21 ASN 92 2HD2 ASN 92 -1.802 -15.557 6.144 498 HD22 ASN 92 1HD2 ASN 92 -0.425 -15.114 5.154 499 H GLN 93 H GLN 93 -4.069 -12.232 4.439 500 HA GLN 93 HA GLN 93 -4.365 -11.957 7.303 501 HB2 GLN 93 2HB GLN 93 -1.985 -11.556 7.847 502 HB3 GLN 93 3HB GLN 93 -2.282 -13.207 7.343 503 HG2 GLN 93 2HG GLN 93 -1.478 -12.508 5.009 504 HG3 GLN 93 3HG GLN 93 -0.925 -11.001 5.767 505 HE21 GLN 93 2HE2 GLN 93 0.643 -13.231 4.399 506 HE22 GLN 93 1HE2 GLN 93 1.728 -13.806 5.654 507 HA PRO 94 HA PRO 94 -4.740 -7.912 6.018 508 HB2 PRO 94 2HB PRO 94 -3.741 -6.702 8.579 509 HB3 PRO 94 3HB PRO 94 -5.397 -6.711 7.911 510 HG2 PRO 94 2HG PRO 94 -4.707 -8.268 10.045 511 HG3 PRO 94 3HG PRO 94 -5.848 -8.835 8.785 512 HD2 PRO 94 2HD PRO 94 -2.852 -9.359 9.008 513 HD3 PRO 94 3HD PRO 94 -4.171 -10.540 8.790 514 H LEU 95 H LEU 95 -4.292 -5.911 5.477 515 HA LEU 95 HA LEU 95 -1.557 -5.217 4.690 516 HG LEU 95 HG LEU 95 -3.766 -4.292 1.887 517 HB2 LEU 95 2HB LEU 95 -4.353 -4.044 4.409 518 HB3 LEU 95 3HB LEU 95 -2.962 -3.259 3.766 519 HD11 LEU 95 1HD1 LEU 95 -1.521 -5.176 2.080 520 HD12 LEU 95 2HD1 LEU 95 -2.161 -6.526 3.019 521 HD13 LEU 95 3HD1 LEU 95 -2.616 -6.360 1.315 522 HD21 LEU 95 3HD2 LEU 95 -5.635 -5.337 3.131 523 HD22 LEU 95 1HD2 LEU 95 -5.048 -6.045 1.638 524 HD23 LEU 95 2HD2 LEU 95 -4.611 -6.801 3.209 525 H GLU 96 H GLU 96 -0.484 -3.304 5.225 526 HA GLU 96 HA GLU 96 -1.440 -1.730 7.561 527 HB2 GLU 96 2HB GLU 96 0.446 -3.375 7.993 528 HB3 GLU 96 3HB GLU 96 1.482 -2.326 7.019 529 HG2 GLU 96 2HG GLU 96 0.890 -0.401 8.505 530 HG3 GLU 96 3HG GLU 96 -0.136 -1.466 9.466 531 H VAL 97 H VAL 97 -2.368 -0.948 5.475 532 HA VAL 97 HA VAL 97 -0.969 0.759 3.615 533 HB VAL 97 HB VAL 97 -3.820 0.460 4.548 534 HG11 VAL 97 1HG1 VAL 97 -4.586 1.501 2.486 535 HG12 VAL 97 2HG1 VAL 97 -3.692 2.662 3.480 536 HG13 VAL 97 3HG1 VAL 97 -2.948 1.913 2.044 537 HG21 VAL 97 3HG2 VAL 97 -3.125 -0.412 1.775 538 HG22 VAL 97 1HG2 VAL 97 -2.212 -1.267 2.999 539 HG23 VAL 97 2HG2 VAL 97 -3.973 -1.288 3.075 540 H VAL 98 H VAL 98 0.224 2.580 4.704 541 HA VAL 98 HA VAL 98 -1.401 4.329 6.377 542 HB VAL 98 HB VAL 98 -0.664 2.011 7.510 543 HG11 VAL 98 1HG1 VAL 98 1.762 2.230 7.454 544 HG12 VAL 98 2HG1 VAL 98 1.582 3.513 8.731 545 HG13 VAL 98 3HG1 VAL 98 0.998 1.887 9.007 546 HG21 VAL 98 3HG2 VAL 98 -1.162 3.001 9.627 547 HG22 VAL 98 1HG2 VAL 98 -1.071 4.618 8.865 548 HG23 VAL 98 2HG2 VAL 98 -2.256 3.395 8.285 549 H TYR 99 H TYR 99 1.855 4.199 7.275 550 HA TYR 99 HA TYR 99 2.722 6.412 5.473 551 HD1 TYR 99 HD2 TYR 99 1.040 7.776 6.125 552 HD2 TYR 99 HD1 TYR 99 2.177 6.939 10.200 553 HE1 TYR 99 HE2 TYR 99 -1.050 8.805 6.886 554 HE2 TYR 99 HE1 TYR 99 0.065 7.982 10.988 555 HH TYR 99 HH TYR 99 -1.893 9.018 10.393 556 HB2 TYR 99 2HB TYR 99 3.410 5.968 8.389 557 HB3 TYR 99 3HB TYR 99 3.784 7.394 7.423 558 H SER 100 H SER 100 2.947 3.518 5.403 559 HA SER 100 HA SER 100 4.052 1.781 5.728 560 HG SER 100 HG SER 100 6.816 2.207 3.587 561 HB2 SER 100 2HB SER 100 4.813 1.126 3.578 562 HB3 SER 100 3HB SER 100 3.958 2.488 3.413 563 H LYS 101 H LYS 101 5.808 3.823 7.297 564 HA LYS 101 HA LYS 101 7.594 3.648 8.748 565 HB2 LYS 101 2HB LYS 101 6.759 0.725 8.655 566 HB3 LYS 101 3HB LYS 101 7.838 1.429 9.868 567 HG2 LYS 101 2HG LYS 101 6.104 2.959 10.635 568 HG3 LYS 101 3HG LYS 101 4.979 2.382 9.390 569 HD2 LYS 101 2HD LYS 101 4.943 0.152 10.357 570 HD3 LYS 101 3HD LYS 101 6.169 0.608 11.568 571 HE2 LYS 101 2HE LYS 101 4.663 2.249 12.568 572 HE3 LYS 101 3HE LYS 101 3.463 1.987 11.285 573 HZ1 LYS 101 3HZ LYS 101 2.918 0.748 13.314 574 HZ2 LYS 101 1HZ LYS 101 3.151 -0.254 12.043 575 HZ3 LYS 101 2HZ LYS 101 4.306 -0.110 13.211 576 H LEU 102 H LEU 102 8.296 3.752 6.063 577 HA LEU 102 HA LEU 102 11.048 2.655 6.134 578 HG LEU 102 HG LEU 102 11.657 2.685 3.213 579 HB2 LEU 102 2HB LEU 102 9.539 1.152 4.778 580 HB3 LEU 102 3HB LEU 102 9.158 2.528 3.752 581 HD11 LEU 102 1HD1 LEU 102 11.676 -0.087 4.489 582 HD12 LEU 102 2HD1 LEU 102 13.000 0.645 3.563 583 HD13 LEU 102 3HD1 LEU 102 12.530 1.336 5.119 584 HD21 LEU 102 3HD2 LEU 102 11.575 0.866 1.577 585 HD22 LEU 102 1HD2 LEU 102 10.254 0.082 2.469 586 HD23 LEU 102 2HD2 LEU 102 9.994 1.652 1.684 587 HA PRO 103 HA PRO 103 11.253 7.062 5.216 588 HB2 PRO 103 2HB PRO 103 13.859 7.574 5.754 589 HB3 PRO 103 3HB PRO 103 12.724 7.019 7.017 590 HG2 PRO 103 2HG PRO 103 14.648 5.318 5.385 591 HG3 PRO 103 3HG PRO 103 14.475 5.381 7.174 592 HD2 PRO 103 2HD PRO 103 13.205 3.500 5.654 593 HD3 PRO 103 3HD PRO 103 12.447 4.198 7.118 594 H ALA 104 H ALA 104 12.408 4.776 3.064 595 HA ALA 104 HA ALA 104 13.269 6.771 1.013 596 HB1 ALA 104 1HB ALA 104 14.662 4.143 1.709 597 HB2 ALA 104 2HB ALA 104 15.084 5.218 0.361 598 HB3 ALA 104 3HB ALA 104 15.295 5.774 2.033
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